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NADH-ubiquinone oxidoreductase chain 6

Core subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I) which catalyzes electron transfer from NADH through the respiratory chain, using ubiquinone as an electron acceptor. Essential for the catalytic activity and assembly of complex I.

AlphaFold DB , UniProt , Accession A0A023R385, Species HUMAN (Homo sapiens, Human), Gene ND6, Length 174 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
1M51Low78Confident214 Ų21486.8 Ų86.8100%1.05446%0.456SS*.  0130.60-76-151.9-173.800107.5
2M60Low79.1Confident144 Ų14482.7 Ų82.771%0.70943%0.434SS*.  cis-145.1134.5-3.8-170.2-176.2-60.200105.3A4M2-A4 HydrophobicContact CB-CB 4.48Å; M2-A4 HydrophobicContact CG-CB 4.34Å; M2-A4 PolarHBondContact O-N 3.24Å; M2-A4 HydrophobicContact SD-CB 4.38Å
3Y69.7Low79.9Confident162 Ų16281.3 Ų81.364%0.63543%0.431SS*.THydrogen-bonded Turntrans-64.527178.5-67.5-84000113.5F6 L7Y3-F6 PolarHBondContact O-N 3.44Å; Y3-L7 WeakPolarHBondContact O-CB 3.23Å; Y3-L7 VanDerWaalsContact O-CG 3.3Å; Y3-L7 WeakPolarHBondContact O-CG 3.46Å; Y3-L7 PolarHBondContact O-N 3.24Å
4A77.5Confident80.5Confident41 Ų4181.4 Ų81.434%0.33943%0.429SS..Hα-helixtrans-61.6-49.7-170.500000112.1M2 F6 L7 L8M2-A4 HydrophobicContact CB-CB 4.48Å; M2-A4 HydrophobicContact CG-CB 4.34Å; M2-A4 PolarHBondContact O-N 3.24Å; M2-A4 HydrophobicContact SD-CB 4.38Å; A4-F6 VanDerWaalsContact C-N 3.33Å; A4-F6 PolarHBondContact O-N 2.88Å; A4-L7 PolarHBondContact O-N 3.39Å; A4-L8 WeakPolarHBondContact O-CB 3.33Å; A4-L8 VanDerWaalsContact O-CG 3.3Å; A4-L8 WeakPolarHBondContact O-CG 3.38Å; A4-L8 PolarHBondContact O-N 2.92Å
5L81.7Confident81.1Confident29 Ų2976.7 Ų76.715%0.15241%0.408CS..Hα-helixtrans-65.9-37.4177.4-73174.7000112.1L8 S9 N45 F46 M125L5-L8 HydrophobicContact CD2-CD1 4.33Å; L5-L8 PolarHBondContact O-N 3.44Å; L5-S9 WeakPolarHBondContact O-CB 3.28Å; L5-S9 PolarHBondContact O-N 3.34Å; L5-S9 PolarHBondContact O-OG 3.42Å; L5-N45 HydrophobicContact CD2-CB 3.47Å; L5-N45 VanDerWaalsContact CD2-CB 3.47Å; L5-N45 HydrophobicContact CG-CB 4.42Å; L5-F46 HydrophobicContact CD1-CE1 3.85Å; L5-F46 HydrophobicContact CD1-CZ 3.8Å; L5-M125 HydrophobicContact CB-SD 3.71Å; L5-M125 HydrophobicContact CD1-CB 4.08Å; L5-M125 HydrophobicContact CD1-SD 3.96Å; L5-M125 HydrophobicContact CG-SD 4.48Å
6F82.7Confident81.6Confident80 Ų8077.8 Ų77.835%0.35141%0.408SS..Hα-helixtrans-62.9-47.9174.6-180-103.3000111.3Y3 A4 L8 S9 V10 V103 M125Y3-F6 PolarHBondContact O-N 3.44Å; A4-F6 VanDerWaalsContact C-N 3.33Å; A4-F6 PolarHBondContact O-N 2.88Å; F6-L8 VanDerWaalsContact C-N 3.35Å; F6-L8 PolarHBondContact O-N 2.97Å; F6-S9 PolarHBondContact O-N 2.93Å; F6-S9 VanDerWaalsContact O-N 3.15Å; F6-S9 PolarHBondContact O-OG 3.04Å; F6-V10 HydrophobicContact CD1-CG2 4.43Å; F6-V10 HydrophobicContact CE1-CG2 4.07Å; F6-V10 HydrophobicContact CE2-CG2 4.49Å; F6-V10 HydrophobicContact CZ-CG2 4.1Å; F6-V10 WeakPolarHBondContact O-CG2 3.31Å; F6-V10 PolarHBondContact O-N 3.38Å; F6-V103 HydrophobicContact CZ-CG1 4.07Å; F6-V103 HydrophobicContact CZ-CG2 4.05Å; F6-M125 HydrophobicContact CB-CE 4.48Å
7L85.4Confident82.1Confident115 Ų11574.6 Ų74.660%0.60239%0.393SS*.Hα-helixtrans-62.9-39.3176.4-70.5172.8000112.5Y3 A4 S9 V10 G11Y3-L7 WeakPolarHBondContact O-CB 3.23Å; Y3-L7 VanDerWaalsContact O-CG 3.3Å; Y3-L7 WeakPolarHBondContact O-CG 3.46Å; Y3-L7 PolarHBondContact O-N 3.24Å; A4-L7 PolarHBondContact O-N 3.39Å; L7-S9 VanDerWaalsContact C-N 3.34Å; L7-V10 PolarHBondContact O-N 3.46Å; L7-G11 PolarHBondContact O-N 3.32Å
8L86.6Confident82.3Confident47 Ų4770.8 Ų70.825%0.24637%0.374CS..Hα-helixtrans-63.2-41.3173.2-74.4165.8000111.4A4 L5 F6 G11 L12 V38 V41 I42A4-L8 WeakPolarHBondContact O-CB 3.33Å; A4-L8 VanDerWaalsContact O-CG 3.3Å; A4-L8 WeakPolarHBondContact O-CG 3.38Å; A4-L8 PolarHBondContact O-N 2.92Å; L5-L8 HydrophobicContact CD2-CD1 4.33Å; L5-L8 PolarHBondContact O-N 3.44Å; F6-L8 VanDerWaalsContact C-N 3.35Å; F6-L8 PolarHBondContact O-N 2.97Å; L8-G11 PolarHBondContact O-N 3.5Å; L8-L12 PolarHBondContact O-N 2.95Å; L8-V38 HydrophobicContact CB-CG1 4.38Å; L8-V38 HydrophobicContact CD2-CG1 4.12Å; L8-V38 VanDerWaalsContact O-CG1 3.28Å; L8-V38 WeakPolarHBondContact O-CG1 3.21Å; L8-V41 HydrophobicContact CD1-CG1 3.92Å; L8-V41 HydrophobicContact CD2-CG1 4.21Å; L8-I42 HydrophobicContact CB-CD1 4.16Å; L8-I42 HydrophobicContact CB-CG1 3.78Å; L8-I42 HydrophobicContact CD1-CG1 4.49Å
9S85.5Confident82.5Confident49 Ų4971 Ų7134%0.34337%0.372SS..Hα-helixtrans-64-41.6176.874.80000111.7L5 F6 L7 G11 L12 V13L5-S9 WeakPolarHBondContact O-CB 3.28Å; L5-S9 PolarHBondContact O-N 3.34Å; L5-S9 PolarHBondContact O-OG 3.42Å; F6-S9 PolarHBondContact O-N 2.93Å; F6-S9 VanDerWaalsContact O-N 3.15Å; F6-S9 PolarHBondContact O-OG 3.04Å; L7-S9 VanDerWaalsContact C-N 3.34Å; S9-G11 VanDerWaalsContact C-N 3.34Å; S9-G11 PolarHBondContact O-N 3.4Å; S9-L12 WeakPolarHBondContact O-CB 3.37Å; S9-L12 PolarHBondContact O-N 3.07Å; S9-L12 VanDerWaalsContact O-N 3.14Å; S9-V13 WeakPolarHBondContact O-CG2 3.23Å; S9-V13 PolarHBondContact O-N 3.29Å; S9-V13 VanDerWaalsContact O-N 3.09Å
10V88.3Confident82.7Confident42 Ų4271.1 Ų71.126%0.25538%0.379SS..Hα-helixtrans-61.4-44.1172.3174.50000110.4F6 L7 L12 V13 M14F6-V10 HydrophobicContact CD1-CG2 4.43Å; F6-V10 HydrophobicContact CE1-CG2 4.07Å; F6-V10 HydrophobicContact CE2-CG2 4.49Å; F6-V10 HydrophobicContact CZ-CG2 4.1Å; F6-V10 WeakPolarHBondContact O-CG2 3.31Å; F6-V10 PolarHBondContact O-N 3.38Å; L7-V10 PolarHBondContact O-N 3.46Å; V10-L12 PolarHBondContact O-N 3.38Å; V10-V13 PolarHBondContact O-N 3.13Å; V10-V13 VanDerWaalsContact O-N 3.16Å; V10-M14 HydrophobicContact CG1-CG 4.44Å; V10-M14 WeakPolarHBondContact O-CB 3.49Å; V10-M14 WeakPolarHBondContact O-CG 3.3Å; V10-M14 PolarHBondContact O-N 2.99Å
11G89.3Confident82.8Confident32 Ų3268.1 Ų68.133%0.3336%0.364SS..Hα-helixtrans-59.2-32.3174.800000113.8L7 L8 S9 G15L7-G11 PolarHBondContact O-N 3.32Å; L8-G11 PolarHBondContact O-N 3.5Å; S9-G11 VanDerWaalsContact C-N 3.34Å; S9-G11 PolarHBondContact O-N 3.4Å; G11-G15 PolarHBondContact O-N 3.28Å; G11-G15 VanDerWaalsContact O-N 3.12Å
12L90.9Very high84.3Confident37 Ų3765.9 Ų65.919%0.19435%0.348CS..Hα-helixtrans-70.8-43.7174.8-175.8153.4000111.5L8 S9 V10 M14 G15 F16 V38 I42L8-L12 PolarHBondContact O-N 2.95Å; S9-L12 WeakPolarHBondContact O-CB 3.37Å; S9-L12 PolarHBondContact O-N 3.07Å; S9-L12 VanDerWaalsContact O-N 3.14Å; V10-L12 PolarHBondContact O-N 3.38Å; L12-M14 VanDerWaalsContact C-N 3.33Å; L12-G15 PolarHBondContact O-N 3.03Å; L12-F16 HydrophobicContact CD2-CD2 3.68Å; L12-F16 HydrophobicContact CD2-CE1 4.31Å; L12-F16 HydrophobicContact CD2-CE2 3.22Å; L12-F16 HydrophobicContact CD2-CG 4.4Å; L12-F16 HydrophobicContact CD2-CZ 3.59Å; L12-F16 HydrophobicContact CG-CE2 4.31Å; L12-F16 HydrophobicContact CG-CZ 4.25Å; L12-F16 PolarHBondContact O-N 3.15Å; L12-V38 HydrophobicContact CB-CG1 4.13Å; L12-I42 HydrophobicContact CB-CD1 4.29Å; L12-I42 HydrophobicContact CD1-CD1 3.82Å
13V90.4Very high85Confident65 Ų6559.4 Ų59.439%0.39432%0.317SS..Hα-helixtrans-63.7-41.4175.7-165.60000110.8S9 V10 G15 F16 V17 E99S9-V13 WeakPolarHBondContact O-CG2 3.23Å; S9-V13 PolarHBondContact O-N 3.29Å; S9-V13 VanDerWaalsContact O-N 3.09Å; V10-V13 PolarHBondContact O-N 3.13Å; V10-V13 VanDerWaalsContact O-N 3.16Å; V13-G15 VanDerWaalsContact C-N 3.27Å; V13-G15 PolarHBondContact O-N 3.41Å; V13-F16 CarbonylContact O-C 3.53Å; V13-F16 WeakPolarHBondContact O-CA 3.34Å; V13-F16 WeakPolarHBondContact O-CB 3.21Å; V13-F16 PolarHBondContact O-N 2.91Å; V13-V17 WeakPolarHBondContact O-CG2 3.48Å; V13-V17 PolarHBondContact O-N 3.49Å; V13-E99 HydrophobicContact CB-CG 4.36Å; V13-E99 WeakPolarHBondContact CB-OE1 3.37Å; V13-E99 HydrophobicContact CG1-CG 3.8Å; V13-E99 WeakPolarHBondContact CG1-OE1 3.38Å
14M88.4Confident85.7Confident83 Ų8352.4 Ų52.441%0.40929%0.292SS..Hα-helixtrans-55-41.9172.7-76.6-68.5-57.200112.5V10 L12 F16 G18 L96 E99V10-M14 HydrophobicContact CG1-CG 4.44Å; V10-M14 WeakPolarHBondContact O-CB 3.49Å; V10-M14 WeakPolarHBondContact O-CG 3.3Å; V10-M14 PolarHBondContact O-N 2.99Å; L12-M14 VanDerWaalsContact C-N 3.33Å; M14-F16 VanDerWaalsContact C-N 3.34Å; M14-G18 PolarHBondContact O-N 3.07Å; M14-L96 HydrophobicContact CE-CD2 3.7Å; M14-L96 HydrophobicContact SD-CD2 3.27Å; M14-L96 WeakPolarHBondContact SD-CD2 3.32Å; M14-E99 WeakPolarHBondContact CG-OE2 3.39Å; M14-E99 PolarHBondContact N-OE1 3.35Å
15G89.9Confident86.1Confident11 Ų1153.9 Ų53.911%0.11330%0.298CS..Hα-helixtrans-63.1-39.4172.400000112.4G11 L12 V13 G18 F19 V31G11-G15 PolarHBondContact O-N 3.28Å; G11-G15 VanDerWaalsContact O-N 3.12Å; L12-G15 PolarHBondContact O-N 3.03Å; V13-G15 VanDerWaalsContact C-N 3.27Å; V13-G15 PolarHBondContact O-N 3.41Å; G15-G18 PolarHBondContact O-N 3.31Å; G15-F19 PolarHBondContact O-N 2.84Å; G15-F19 VanDerWaalsContact O-N 3.17Å; G15-V31 WeakPolarHBondContact O-CG1 3.46Å
16F88.4Confident86.3Confident93 Ų9356.1 Ų56.141%0.40831%0.309SS..Hα-helixtrans-68.2-40.3177-67.5-14000113.8L12 V13 M14 G18 F19 S20L12-F16 HydrophobicContact CD2-CD2 3.68Å; L12-F16 HydrophobicContact CD2-CE1 4.31Å; L12-F16 HydrophobicContact CD2-CE2 3.22Å; L12-F16 HydrophobicContact CD2-CG 4.4Å; L12-F16 HydrophobicContact CD2-CZ 3.59Å; L12-F16 HydrophobicContact CG-CE2 4.31Å; L12-F16 HydrophobicContact CG-CZ 4.25Å; L12-F16 PolarHBondContact O-N 3.15Å; V13-F16 CarbonylContact O-C 3.53Å; V13-F16 WeakPolarHBondContact O-CA 3.34Å; V13-F16 WeakPolarHBondContact O-CB 3.21Å; V13-F16 PolarHBondContact O-N 2.91Å; M14-F16 VanDerWaalsContact C-N 3.34Å; F16-G18 VanDerWaalsContact C-N 3.25Å; F16-G18 PolarHBondContact O-N 3.3Å; F16-F19 HydrophobicContact CB-CD1 4.37Å; F16-F19 HydrophobicContact CB-CE1 3.87Å; F16-F19 HydrophobicContact CD1-CD1 4.01Å; F16-F19 AromaticContact CD1-CE1 3.5Å; F16-F19 HydrophobicContact CD1-CE1 3.5Å; F16-F19 VanDerWaalsContact CD1-CE1 3.5Å; F16-F19 HydrophobicContact CE1-CE1 4.3Å; F16-F19 AromaticContact CG-CE1 3.93Å; F16-F19 HydrophobicContact CG-CE1 3.93Å; F16-F19 WeakPolarHBondContact O-CD1 3.37Å; F16-F19 PolarHBondContact O-N 2.98Å; F16-S20 WeakPolarHBondContact O-CB 3.5Å; F16-S20 PolarHBondContact O-N 3.43Å
17V89.9Confident86.5Confident24 Ų2456.2 Ų56.215%0.14531%0.308CS..Hα-helixtrans-59.1-41.9170.6174.90000110.4V13 F19 S20 S21 E99V13-V17 WeakPolarHBondContact O-CG2 3.48Å; V13-V17 PolarHBondContact O-N 3.49Å; V17-F19 PolarHBondContact O-N 3.27Å; V17-S20 PolarHBondContact O-N 3Å; V17-S21 PolarHBondContact O-N 2.96Å; V17-S21 VanDerWaalsContact O-N 3.15Å; V17-S21 PolarHBondContact O-OG 3.08Å; V17-E99 VanDerWaalsContact CG2-OE1 3.27Å; V17-E99 WeakPolarHBondContact CG2-OE1 3.41Å
18G85.4Confident86.6Confident6 Ų651.1 Ų51.16%0.06228%0.283CS..Hα-helixtrans-63-38.9-17900000115.1M14 G15 F16 S21 P23M14-G18 PolarHBondContact O-N 3.07Å; G15-G18 PolarHBondContact O-N 3.31Å; F16-G18 VanDerWaalsContact C-N 3.25Å; F16-G18 PolarHBondContact O-N 3.3Å; G18-S21 PolarHBondContact O-OG 2.98Å; G18-P23 WeakPolarHBondContact O-CD 3.36Å; G18-P23 WeakPolarHBondContact O-CG 3.39Å
19F86Confident86.6Confident75 Ų7549.3 Ų49.333%0.32928%0.276SS..Hα-helixtrans-86.8-31.3175.690.3-95.6000112.3G15 F16 V17 S21 K22 P23 V31 L32G15-F19 PolarHBondContact O-N 2.84Å; G15-F19 VanDerWaalsContact O-N 3.17Å; F16-F19 HydrophobicContact CB-CD1 4.37Å; F16-F19 HydrophobicContact CB-CE1 3.87Å; F16-F19 HydrophobicContact CD1-CD1 4.01Å; F16-F19 AromaticContact CD1-CE1 3.5Å; F16-F19 HydrophobicContact CD1-CE1 3.5Å; F16-F19 VanDerWaalsContact CD1-CE1 3.5Å; F16-F19 HydrophobicContact CE1-CE1 4.3Å; F16-F19 AromaticContact CG-CE1 3.93Å; F16-F19 HydrophobicContact CG-CE1 3.93Å; F16-F19 WeakPolarHBondContact O-CD1 3.37Å; F16-F19 PolarHBondContact O-N 2.98Å; V17-F19 PolarHBondContact O-N 3.27Å; F19-S21 VanDerWaalsContact C-N 3.25Å; F19-S21 PolarHBondContact O-N 2.81Å; F19-K22 PolarHBondContact O-N 3.31Å; F19-K22 VanDerWaalsContact O-N 3.09Å; F19-P23 WeakPolarHBondContact O-CD 3.35Å; F19-V31 HydrophobicContact CB-CB 4.35Å; F19-V31 HydrophobicContact CB-CG1 4.31Å; F19-L32 HydrophobicContact CB-CD2 4.18Å; F19-L32 HydrophobicContact CB-CG 4.16Å; F19-L32 HydrophobicContact CD1-CD2 3.42Å; F19-L32 VanDerWaalsContact CD1-CD2 3.42Å; F19-L32 HydrophobicContact CD1-CG 4.32Å; F19-L32 HydrophobicContact CD2-CD2 4.15Å; F19-L32 HydrophobicContact CE1-CD2 3.82Å; F19-L32 HydrophobicContact CE2-CD2 4.48Å; F19-L32 HydrophobicContact CG-CD2 3.64Å; F19-L32 HydrophobicContact CG-CG 4.1Å; F19-L32 HydrophobicContact CZ-CD2 4.34Å
20S87.4Confident86.8Confident73 Ų7351.8 Ų51.851%0.5129%0.285SS..Hα-helixtrans-71.7-19.7-177.5-176.70000113.2F16 V17 K22F16-S20 WeakPolarHBondContact O-CB 3.5Å; F16-S20 PolarHBondContact O-N 3.43Å; V17-S20 PolarHBondContact O-N 3Å; S20-K22 PolarHBondContact O-N 2.72Å; S20-K22 VanDerWaalsContact O-N 3.1Å
21S83.8Confident87Confident9 Ų950.6 Ų50.66%0.06328%0.277CS..THydrogen-bonded Turntrans-66.5-0.5169.5590000113.1V17 G18 F19 S91V17-S21 PolarHBondContact O-N 2.96Å; V17-S21 VanDerWaalsContact O-N 3.15Å; V17-S21 PolarHBondContact O-OG 3.08Å; G18-S21 PolarHBondContact O-OG 2.98Å; F19-S21 VanDerWaalsContact C-N 3.25Å; F19-S21 PolarHBondContact O-N 2.81Å; S21-S91 WeakPolarHBondContact CA-OG 3.35Å; S21-S91 WeakPolarHBondContact CB-OG 2.95Å
22K82.8Confident87.1Confident166 Ų16650.2 Ų50.272%0.72227%0.268SS*.  trans54.350.4-179.8-54.2-173.5-173.373.30112.6F19 S20F19-K22 PolarHBondContact O-N 3.31Å; F19-K22 VanDerWaalsContact O-N 3.09Å; S20-K22 PolarHBondContact O-N 2.72Å; S20-K22 VanDerWaalsContact O-N 3.1Å
23P75.5Confident87.2Confident9 Ų952 Ų526%0.05828%0.276CS..  trans-63159.4162.134.8-34.7000108.2G18 F19G18-P23 WeakPolarHBondContact O-CD 3.36Å; G18-P23 WeakPolarHBondContact O-CG 3.39Å; F19-P23 WeakPolarHBondContact O-CD 3.35Å
24S84.1Confident87.3Confident15 Ų1553.4 Ų53.411%0.10529%0.285CS..  trans-47.4148179.458.10000112.3I26 Y27 G28 E80S24-I26 PolarHBondContact O-N 3.35Å; S24-Y27 PolarHBondContact O-N 3.24Å; S24-Y27 WeakPolarHBondContact OG-CD2 3.37Å; S24-G28 PolarHBondContact O-N 3.17Å; S24-G28 VanDerWaalsContact O-N 3.08Å; S24-E80 PolarHBondContact OG-O 3.28Å
25P85.9Confident87.6Confident72 Ų7249.7 Ų49.747%0.46827%0.267SS..Hα-helixtrans-54-27.4-168.1-29.635.5000115.5G29 F67 T71P25-G29 PolarHBondContact O-N 2.9Å; P25-F67 HydrophobicContact CB-CZ 4.07Å; P25-T71 HydrophobicContact CB-CG2 3.39Å; P25-T71 HydrophobicContact CG-CG2 4.47Å
26I86.1Confident87.7Confident76 Ų7649.6 Ų49.639%0.3927%0.267SS..Hα-helixtrans-64.6-49.3176.1-58.3172.3000110.8S24 G29 L30 I75S24-I26 PolarHBondContact O-N 3.35Å; I26-G29 PolarHBondContact O-N 3.26Å; I26-L30 PolarHBondContact O-N 2.96Å; I26-I75 HydrophobicContact CD1-CD1 4.25Å; I26-I75 HydrophobicContact CD1-CG1 4.32Å
27Y86.8Confident88Confident81 Ų8148 Ų4832%0.31827%0.265SS..Hα-helixtrans-69.6-39.2177.5-68.3-59.9000111.4S24 G29 L30 V31 E80 W82S24-Y27 PolarHBondContact O-N 3.24Å; S24-Y27 WeakPolarHBondContact OG-CD2 3.37Å; Y27-G29 VanDerWaalsContact C-N 3.27Å; Y27-G29 PolarHBondContact O-N 2.95Å; Y27-L30 HydrophobicContact CD1-CD1 4.37Å; Y27-L30 PolarHBondContact O-N 2.88Å; Y27-V31 WeakPolarHBondContact O-CG2 3.43Å; Y27-V31 PolarHBondContact O-N 3.32Å; Y27-E80 WeakPolarHBondContact CD2-O 3.02Å; Y27-W82 AromaticContact CD1-CD1 3.93Å; Y27-W82 AromaticContact CD1-NE1 3.5Å; Y27-W82 AromaticContact CG-CD1 3.85Å; Y27-W82 AromaticContact CG-NE1 3.48Å
28G86.7Confident88.2Confident8 Ų848.2 Ų48.28%0.08227%0.266CS..Hα-helixtrans-55.9-43.9172.600000111.6S24 L30 V31 L32S24-G28 PolarHBondContact O-N 3.17Å; S24-G28 VanDerWaalsContact O-N 3.08Å; G28-L30 PolarHBondContact O-N 2.72Å; G28-V31 PolarHBondContact O-N 3.34Å; G28-L32 WeakPolarHBondContact O-CB 3.49Å; G28-L32 VanDerWaalsContact O-CG 3.3Å; G28-L32 WeakPolarHBondContact O-CG 3.34Å; G28-L32 PolarHBondContact O-N 3Å
29G88.1Confident88.5Confident9 Ų948.6 Ų48.69%0.09327%0.27CS..Hα-helixtrans-58.9-45.1175.600000113.5P25 I26 Y27 V31 L32 I33 M64P25-G29 PolarHBondContact O-N 2.9Å; I26-G29 PolarHBondContact O-N 3.26Å; Y27-G29 VanDerWaalsContact C-N 3.27Å; Y27-G29 PolarHBondContact O-N 2.95Å; G29-V31 PolarHBondContact O-N 3.49Å; G29-L32 PolarHBondContact O-N 3Å; G29-I33 WeakPolarHBondContact O-CG1 3.47Å; G29-I33 PolarHBondContact O-N 3.1Å; G29-M64 WeakPolarHBondContact O-CE 3.47Å
30L88.5Confident88.8Confident101 Ų10145.4 Ų45.453%0.52926%0.257SS..Hα-helixtrans-61.2-44.1176.8-68.5175.3000112.1I26 Y27 G28 I33 V34I26-L30 PolarHBondContact O-N 2.96Å; Y27-L30 HydrophobicContact CD1-CD1 4.37Å; Y27-L30 PolarHBondContact O-N 2.88Å; G28-L30 PolarHBondContact O-N 2.72Å; L30-I33 PolarHBondContact O-N 2.89Å; L30-V34 WeakPolarHBondContact O-CG2 3.37Å; L30-V34 PolarHBondContact O-N 2.87Å; L30-V34 VanDerWaalsContact O-N 3.11Å
31V92Very high89Confident17 Ų1744.5 Ų44.510%0.10325%0.248CC..Hα-helixtrans-65.7-41179.1-179.20000111.3G15 F19 Y27 G28 G29 I33 V34 S35 W82G15-V31 WeakPolarHBondContact O-CG1 3.46Å; F19-V31 HydrophobicContact CB-CB 4.35Å; F19-V31 HydrophobicContact CB-CG1 4.31Å; Y27-V31 WeakPolarHBondContact O-CG2 3.43Å; Y27-V31 PolarHBondContact O-N 3.32Å; G28-V31 PolarHBondContact O-N 3.34Å; G29-V31 PolarHBondContact O-N 3.49Å; V31-I33 VanDerWaalsContact C-N 3.26Å; V31-I33 PolarHBondContact O-N 2.9Å; V31-V34 PolarHBondContact O-N 3.33Å; V31-S35 PolarHBondContact O-N 3.15Å; V31-S35 PolarHBondContact O-OG 3.16Å; V31-W82 HydrophobicContact CG2-CH2 3.39Å; V31-W82 HydrophobicContact CG2-CZ2 3.22Å
32L91.3Very high89.3Confident25 Ų2545.4 Ų45.413%0.13125%0.252CS..Hα-helixtrans-63.7-32175.9-73177.4000112.5F19 G28 G29 S35 G36 M64F19-L32 HydrophobicContact CB-CD2 4.18Å; F19-L32 HydrophobicContact CB-CG 4.16Å; F19-L32 HydrophobicContact CD1-CD2 3.42Å; F19-L32 VanDerWaalsContact CD1-CD2 3.42Å; F19-L32 HydrophobicContact CD1-CG 4.32Å; F19-L32 HydrophobicContact CD2-CD2 4.15Å; F19-L32 HydrophobicContact CE1-CD2 3.82Å; F19-L32 HydrophobicContact CE2-CD2 4.48Å; F19-L32 HydrophobicContact CG-CD2 3.64Å; F19-L32 HydrophobicContact CG-CG 4.1Å; F19-L32 HydrophobicContact CZ-CD2 4.34Å; G28-L32 WeakPolarHBondContact O-CB 3.49Å; G28-L32 VanDerWaalsContact O-CG 3.3Å; G28-L32 WeakPolarHBondContact O-CG 3.34Å; G28-L32 PolarHBondContact O-N 3Å; G29-L32 PolarHBondContact O-N 3Å; L32-S35 WeakPolarHBondContact CA-OG 3.39Å; L32-S35 PolarHBondContact O-OG 3.31Å; L32-G36 PolarHBondContact O-N 3.14Å; L32-M64 HydrophobicContact CB-CE 3.64Å; L32-M64 HydrophobicContact CB-SD 4.03Å; L32-M64 HydrophobicContact CD1-CE 3.96Å; L32-M64 HydrophobicContact CD1-SD 4.13Å; L32-M64 HydrophobicContact CG-CE 4.46Å
33I93.9Very high89.6Confident73 Ų7340.1 Ų40.137%0.37423%0.231SC..Hα-helixtrans-67-48173.2-67.7163.4000110.3G29 L30 V31 G36 V37 L60 M64G29-I33 WeakPolarHBondContact O-CG1 3.47Å; G29-I33 PolarHBondContact O-N 3.1Å; L30-I33 PolarHBondContact O-N 2.89Å; V31-I33 VanDerWaalsContact C-N 3.26Å; V31-I33 PolarHBondContact O-N 2.9Å; I33-G36 PolarHBondContact O-N 2.94Å; I33-V37 WeakPolarHBondContact O-CG2 3.34Å; I33-V37 PolarHBondContact O-N 3.31Å; I33-L60 HydrophobicContact CB-CD2 4.2Å; I33-L60 HydrophobicContact CG1-CD2 4.19Å; I33-L60 HydrophobicContact CG2-CD2 4.22Å; I33-M64 HydrophobicContact CG1-CE 4.44Å
34V93.6Very high90.2Very high95 Ų9543.7 Ų43.758%0.57625%0.249SC*.Hα-helixtrans-61.4-47.3179176.80000111L30 V31 G36 V37 V38L30-V34 WeakPolarHBondContact O-CG2 3.37Å; L30-V34 PolarHBondContact O-N 2.87Å; L30-V34 VanDerWaalsContact O-N 3.11Å; V31-V34 PolarHBondContact O-N 3.33Å; V34-G36 VanDerWaalsContact C-N 3.34Å; V34-G36 PolarHBondContact O-N 3.39Å; V34-V37 PolarHBondContact O-N 2.96Å; V34-V38 WeakPolarHBondContact O-CG2 3.18Å; V34-V38 PolarHBondContact O-N 3.45Å
35S93.1Very high90.3Very high5 Ų546.8 Ų46.84%0.03526%0.264CS..Hα-helixtrans-65.8-36178.867.70000112.3V31 L32 V38 G39V31-S35 PolarHBondContact O-N 3.15Å; V31-S35 PolarHBondContact O-OG 3.16Å; L32-S35 WeakPolarHBondContact CA-OG 3.39Å; L32-S35 PolarHBondContact O-OG 3.31Å; S35-V38 PolarHBondContact O-N 3.37Å; S35-G39 PolarHBondContact O-N 3.09Å
36G92.9Very high90.2Very high10 Ų1048.6 Ų48.610%0.10327%0.265CS..Hα-helixtrans-64.1-40.9173.300000112.9L32 I33 V34 G39 C40L32-G36 PolarHBondContact O-N 3.14Å; I33-G36 PolarHBondContact O-N 2.94Å; V34-G36 VanDerWaalsContact C-N 3.34Å; V34-G36 PolarHBondContact O-N 3.39Å; G36-G39 PolarHBondContact O-N 3.48Å; G36-C40 PolarHBondContact O-N 3.37Å; G36-C40 PolarHBondContact O-SG 2.88Å
37V94Very high90.1Very high60 Ų6046.7 Ų46.736%0.36427%0.265SS..Hα-helixtrans-64.1-45.7174.4172.80000110.7I33 V34 G39 C40 V41 L60I33-V37 WeakPolarHBondContact O-CG2 3.34Å; I33-V37 PolarHBondContact O-N 3.31Å; V34-V37 PolarHBondContact O-N 2.96Å; V37-G39 VanDerWaalsContact C-N 3.31Å; V37-G39 PolarHBondContact O-N 2.99Å; V37-C40 WeakPolarHBondContact O-CB 3.43Å; V37-C40 PolarHBondContact O-N 3.37Å; V37-V41 WeakPolarHBondContact O-CG2 3.48Å; V37-V41 PolarHBondContact O-N 3.08Å; V37-L60 HydrophobicContact CG2-CD1 3.71Å
38V93.7Very high90Very high28 Ų2843.2 Ų43.217%0.1725%0.253CS..Hα-helixtrans-59.6-43175.8175.40000110.8L8 L12 V34 S35 C40 V41 I42L8-V38 HydrophobicContact CB-CG1 4.38Å; L8-V38 HydrophobicContact CD2-CG1 4.12Å; L8-V38 VanDerWaalsContact O-CG1 3.28Å; L8-V38 WeakPolarHBondContact O-CG1 3.21Å; L12-V38 HydrophobicContact CB-CG1 4.13Å; V34-V38 WeakPolarHBondContact O-CG2 3.18Å; V34-V38 PolarHBondContact O-N 3.45Å; S35-V38 PolarHBondContact O-N 3.37Å; V38-C40 PolarHBondContact O-N 3.37Å; V38-V41 WeakPolarHBondContact O-CB 3.37Å; V38-V41 PolarHBondContact O-N 2.92Å; V38-I42 HydrophobicContact CG1-CD1 4.2Å; V38-I42 WeakPolarHBondContact O-CG1 3.1Å; V38-I42 PolarHBondContact O-N 2.88Å
39G91.8Very high90Very high14 Ų1443.2 Ų43.214%0.14425%0.253CS..Hα-helixtrans-59.6-43.4174.300000113.2S35 G36 V37 V41 I42 I43S35-G39 PolarHBondContact O-N 3.09Å; G36-G39 PolarHBondContact O-N 3.48Å; V37-G39 VanDerWaalsContact C-N 3.31Å; V37-G39 PolarHBondContact O-N 2.99Å; G39-V41 VanDerWaalsContact C-N 3.33Å; G39-V41 PolarHBondContact O-N 2.92Å; G39-I42 PolarHBondContact O-N 3.44Å; G39-I43 WeakPolarHBondContact O-CG1 3.3Å; G39-I43 PolarHBondContact O-N 3.34Å; G39-I43 VanDerWaalsContact O-N 3.11Å
40C92.3Very high90.1Very high8 Ų847.3 Ų47.35%0.05427%0.267CS..Hα-helixtrans-61.1-43.3174.7-65.10000111.2G36 V37 V38 I42 I43 L44G36-C40 PolarHBondContact O-N 3.37Å; G36-C40 PolarHBondContact O-SG 2.88Å; V37-C40 WeakPolarHBondContact O-CB 3.43Å; V37-C40 PolarHBondContact O-N 3.37Å; V38-C40 PolarHBondContact O-N 3.37Å; C40-I42 VanDerWaalsContact C-N 3.33Å; C40-I42 PolarHBondContact O-N 3.35Å; C40-I43 PolarHBondContact O-N 2.9Å; C40-L44 VanDerWaalsContact O-CG 3.25Å; C40-L44 WeakPolarHBondContact O-CG 3.41Å; C40-L44 PolarHBondContact O-N 3.06Å
41V91.7Very high90.1Very high54 Ų5447.7 Ų47.733%0.32727%0.267SS..Hα-helixtrans-61.3-41.6176.9173.40000110.9L8 V37 V38 G39 I43 L44 N45L8-V41 HydrophobicContact CD1-CG1 3.92Å; L8-V41 HydrophobicContact CD2-CG1 4.21Å; V37-V41 WeakPolarHBondContact O-CG2 3.48Å; V37-V41 PolarHBondContact O-N 3.08Å; V38-V41 WeakPolarHBondContact O-CB 3.37Å; V38-V41 PolarHBondContact O-N 2.92Å; G39-V41 VanDerWaalsContact C-N 3.33Å; G39-V41 PolarHBondContact O-N 2.92Å; V41-I43 PolarHBondContact O-N 3.18Å; V41-L44 PolarHBondContact O-N 3.47Å; V41-N45 PolarHBondContact O-N 2.92Å; V41-N45 VanDerWaalsContact O-N 3.07Å; V41-N45 PolarHBondContact O-ND2 2.98Å
42I90.3Very high90.1Very high28 Ų2846.9 Ų46.914%0.14426%0.262CS..Hα-helixtrans-58.5-48.5176.1-67.4165.7000110.5L8 L12 V38 G39 C40 L44 N45 F46L8-I42 HydrophobicContact CB-CD1 4.16Å; L8-I42 HydrophobicContact CB-CG1 3.78Å; L8-I42 HydrophobicContact CD1-CG1 4.49Å; L12-I42 HydrophobicContact CB-CD1 4.29Å; L12-I42 HydrophobicContact CD1-CD1 3.82Å; V38-I42 HydrophobicContact CG1-CD1 4.2Å; V38-I42 WeakPolarHBondContact O-CG1 3.1Å; V38-I42 PolarHBondContact O-N 2.88Å; G39-I42 PolarHBondContact O-N 3.44Å; C40-I42 VanDerWaalsContact C-N 3.33Å; C40-I42 PolarHBondContact O-N 3.35Å; I42-L44 VanDerWaalsContact C-N 3.34Å; I42-L44 PolarHBondContact O-N 3.1Å; I42-N45 PolarHBondContact O-N 3.27Å; I42-F46 HydrophobicContact CG2-CD2 4.18Å; I42-F46 HydrophobicContact CG2-CE2 3.67Å; I42-F46 WeakPolarHBondContact O-CD2 3.23Å; I42-F46 PolarHBondContact O-N 3.28Å
43I89.3Confident90.1Very high54 Ų5450.4 Ų50.428%0.27728%0.281SS..Hα-helixtrans-63.7-40.3-179.8-60.8165.1000111.3G39 C40 V41 N45 F46 G48 M51 V55G39-I43 WeakPolarHBondContact O-CG1 3.3Å; G39-I43 PolarHBondContact O-N 3.34Å; G39-I43 VanDerWaalsContact O-N 3.11Å; C40-I43 PolarHBondContact O-N 2.9Å; V41-I43 PolarHBondContact O-N 3.18Å; I43-N45 VanDerWaalsContact C-N 3.29Å; I43-N45 PolarHBondContact O-N 3.31Å; I43-F46 PolarHBondContact O-N 3.15Å; I43-F46 VanDerWaalsContact O-N 3.11Å; I43-G48 WeakPolarHBondContact CG2-O 3.16Å; I43-G48 PolarHBondContact O-N 2.89Å; I43-G48 VanDerWaalsContact O-N 3.09Å; I43-M51 HydrophobicContact CG2-CB 4.07Å; I43-V55 HydrophobicContact CD1-CG2 4.38Å
44L88.1Confident90.1Very high84 Ų8450 Ų5044%0.4428%0.278SS..Hα-helixtrans-63.7-33.5178.1-70.5173.7000112.7C40 V41 I42 F46 G47C40-L44 VanDerWaalsContact O-CG 3.25Å; C40-L44 WeakPolarHBondContact O-CG 3.41Å; C40-L44 PolarHBondContact O-N 3.06Å; V41-L44 PolarHBondContact O-N 3.47Å; I42-L44 VanDerWaalsContact C-N 3.34Å; I42-L44 PolarHBondContact O-N 3.1Å; L44-F46 PolarHBondContact O-N 3.36Å; L44-G47 PolarHBondContact O-N 2.95Å; L44-G47 VanDerWaalsContact O-N 3.12Å
45N86.6Confident90Very high80 Ų8048.2 Ų48.243%0.42827%0.267SS..Hα-helixtrans-67.7-23.9175.6-79.6-76000112.9L5 V41 I42 I43 G47L5-N45 HydrophobicContact CD2-CB 3.47Å; L5-N45 VanDerWaalsContact CD2-CB 3.47Å; L5-N45 HydrophobicContact CG-CB 4.42Å; V41-N45 PolarHBondContact O-N 2.92Å; V41-N45 VanDerWaalsContact O-N 3.07Å; V41-N45 PolarHBondContact O-ND2 2.98Å; I42-N45 PolarHBondContact O-N 3.27Å; I43-N45 VanDerWaalsContact C-N 3.29Å; I43-N45 PolarHBondContact O-N 3.31Å; N45-G47 VanDerWaalsContact C-N 3.27Å
46F83.6Confident90Very high110 Ų11052.8 Ų52.848%0.48229%0.287SS..THydrogen-bonded Turntrans-877.9173.4-66.2-65.4000113.4L5 I42 I43 L44 G48 M125L5-F46 HydrophobicContact CD1-CE1 3.85Å; L5-F46 HydrophobicContact CD1-CZ 3.8Å; I42-F46 HydrophobicContact CG2-CD2 4.18Å; I42-F46 HydrophobicContact CG2-CE2 3.67Å; I42-F46 WeakPolarHBondContact O-CD2 3.23Å; I42-F46 PolarHBondContact O-N 3.28Å; I43-F46 PolarHBondContact O-N 3.15Å; I43-F46 VanDerWaalsContact O-N 3.11Å; L44-F46 PolarHBondContact O-N 3.36Å; F46-G48 VanDerWaalsContact C-N 3.28Å; F46-G48 PolarHBondContact O-N 3.26Å; F46-M125 HydrophobicContact CE1-CB 4.34Å; F46-M125 WeakPolarHBondContact CE1-O 3.37Å
47G83.2Confident90Very high37 Ų3757.5 Ų57.538%0.38131%0.309SS..THydrogen-bonded Turntrans81.15.5-177.300000114.3L44 N45 G49 R136L44-G47 PolarHBondContact O-N 2.95Å; L44-G47 VanDerWaalsContact O-N 3.12Å; N45-G47 VanDerWaalsContact C-N 3.27Å; G47-G49 VanDerWaalsContact C-N 3.29Å; G47-G49 PolarHBondContact O-N 2.98Å; G47-R136 PolarHBondContact O-NH2 3.34Å
48G86Confident90Very high8 Ų859.3 Ų59.38%0.08232%0.315CS..  trans-77.161.6-179.700000114.1I43 F46 G52 D138I43-G48 WeakPolarHBondContact CG2-O 3.16Å; I43-G48 PolarHBondContact O-N 2.89Å; I43-G48 VanDerWaalsContact O-N 3.09Å; F46-G48 VanDerWaalsContact C-N 3.28Å; F46-G48 PolarHBondContact O-N 3.26Å; G48-G52 PolarHBondContact O-N 2.91Å; G48-D138 WeakPolarHBondContact CA-OD2 3.18Å
49G86.8Confident90Very high8 Ų861.1 Ų61.18%0.08232%0.32CS..Hα-helixtrans-60.1-53.8-174.700000113.6G47 L53 D138G47-G49 VanDerWaalsContact C-N 3.29Å; G47-G49 PolarHBondContact O-N 2.98Å; G49-L53 WeakPolarHBondContact O-CB 3.48Å; G49-L53 VanDerWaalsContact O-CG 3.28Å; G49-L53 WeakPolarHBondContact O-CG 3.35Å; G49-L53 PolarHBondContact O-N 2.93Å; G49-D138 PolarHBondContact N-OD2 2.96Å
50Y89.5Confident89.9Confident95 Ų9561.3 Ų61.337%0.37332%0.317SS..Hα-helixtrans-68.8-43.7-178.7175.1-97.9000110.8G52 L53 M54 D138 A142Y50-G52 PolarHBondContact O-N 2.91Å; Y50-L53 PolarHBondContact O-N 3.44Å; Y50-M54 HydrophobicContact CD1-CG 4.07Å; Y50-M54 HydrophobicContact CD2-CG 4.31Å; Y50-M54 HydrophobicContact CE1-CG 3.71Å; Y50-M54 HydrophobicContact CE1-SD 4.47Å; Y50-M54 HydrophobicContact CE2-CG 3.97Å; Y50-M54 HydrophobicContact CE2-SD 4.01Å; Y50-M54 HydrophobicContact CG-CG 4.36Å; Y50-M54 VanDerWaalsContact O-CG 3.25Å; Y50-M54 WeakPolarHBondContact O-CG 3.27Å; Y50-M54 PolarHBondContact O-N 2.92Å; Y50-D138 HydrophobicContact CD1-CB 4.48Å; Y50-D138 PolarHBondContact N-OD2 3.39Å; Y50-A142 HydrophobicContact CD1-CB 4Å; Y50-A142 HydrophobicContact CE1-CB 3.39Å
51M89.5Confident89.9Confident108 Ų10863.2 Ų63.253%0.53234%0.338SS..Hα-helixtrans-62.1-44.8-178.8-65.9-63-77.200112I43 M54 V55 D138I43-M51 HydrophobicContact CG2-CB 4.07Å; M51-M54 PolarHBondContact O-N 3.28Å; M51-V55 PolarHBondContact O-N 2.94Å; M51-D138 HydrophobicContact CG-CB 4.29Å
52G90.8Very high89.9Confident1 Ų162.1 Ų62.11%0.0134%0.338CS..Hα-helixtrans-64.1-42.1177.100000112.8G48 Y50 V55 F56G48-G52 PolarHBondContact O-N 2.91Å; Y50-G52 PolarHBondContact O-N 2.91Å; G52-V55 PolarHBondContact O-N 3.46Å; G52-F56 PolarHBondContact O-N 3.49Å
53L92Very high90Very high99 Ų9965.9 Ų65.952%0.51836%0.356SS..Hα-helixtrans-68.4-34.7178.2-70.9173.7000112.9G49 Y50 V55 F56 L57G49-L53 WeakPolarHBondContact O-CB 3.48Å; G49-L53 VanDerWaalsContact O-CG 3.28Å; G49-L53 WeakPolarHBondContact O-CG 3.35Å; G49-L53 PolarHBondContact O-N 2.93Å; Y50-L53 PolarHBondContact O-N 3.44Å; L53-V55 VanDerWaalsContact C-N 3.33Å; L53-V55 PolarHBondContact O-N 3.47Å; L53-F56 WeakPolarHBondContact O-CB 3.39Å; L53-F56 PolarHBondContact O-N 3.41Å; L53-L57 WeakPolarHBondContact O-CG 3.41Å; L53-L57 PolarHBondContact O-N 3.45Å
54M93.3Very high90Very high65 Ų6564.1 Ų64.132%0.3235%0.347SS..Hα-helixtrans-63.7-39.7175.4-72.5-63.7-76.900111.6Y50 M51 L57 I58Y50-M54 HydrophobicContact CD1-CG 4.07Å; Y50-M54 HydrophobicContact CD2-CG 4.31Å; Y50-M54 HydrophobicContact CE1-CG 3.71Å; Y50-M54 HydrophobicContact CE1-SD 4.47Å; Y50-M54 HydrophobicContact CE2-CG 3.97Å; Y50-M54 HydrophobicContact CE2-SD 4.01Å; Y50-M54 HydrophobicContact CG-CG 4.36Å; Y50-M54 VanDerWaalsContact O-CG 3.25Å; Y50-M54 WeakPolarHBondContact O-CG 3.27Å; Y50-M54 PolarHBondContact O-N 2.92Å; M51-M54 PolarHBondContact O-N 3.28Å; M54-L57 PolarHBondContact O-N 3.48Å; M54-I58 HydrophobicContact CE-CD1 3.7Å; M54-I58 WeakPolarHBondContact O-CB 3.38Å; M54-I58 WeakPolarHBondContact O-CG1 3.14Å; M54-I58 PolarHBondContact O-N 2.96Å
55V92.6Very high90.2Very high57 Ų5764.5 Ų64.535%0.34535%0.352SS..Hα-helixtrans-63.9-47.3171.71770000110.3I43 M51 G52 L53 L57 Y59 L60I43-V55 HydrophobicContact CD1-CG2 4.38Å; M51-V55 PolarHBondContact O-N 2.94Å; G52-V55 PolarHBondContact O-N 3.46Å; L53-V55 VanDerWaalsContact C-N 3.33Å; L53-V55 PolarHBondContact O-N 3.47Å; V55-L57 VanDerWaalsContact C-N 3.28Å; V55-L57 PolarHBondContact O-N 3.17Å; V55-Y59 WeakPolarHBondContact O-CA 3.43Å; V55-Y59 WeakPolarHBondContact O-CB 3.25Å; V55-Y59 PolarHBondContact O-N 3.15Å; V55-L60 PolarHBondContact O-N 3.43Å
56F91.3Very high90.5Very high100 Ų10065.1 Ų65.144%0.43936%0.359SS..Iπ-helixtrans-55.7-42.9178.3-171.8-92.6000112.3G52 L53 L60 G61G52-F56 PolarHBondContact O-N 3.49Å; L53-F56 WeakPolarHBondContact O-CB 3.39Å; L53-F56 PolarHBondContact O-N 3.41Å; F56-L60 HydrophobicContact CD2-CD1 3.59Å; F56-L60 HydrophobicContact CE2-CD1 3.88Å; F56-L60 HydrophobicContact CG-CD1 4.38Å; F56-L60 VanDerWaalsContact O-CB 3.3Å; F56-L60 WeakPolarHBondContact O-CB 3.33Å; F56-L60 PolarHBondContact O-N 3.03Å; F56-G61 PolarHBondContact O-N 2.98Å; F56-G61 VanDerWaalsContact O-N 3.1Å
57L93.3Very high90.7Very high110 Ų11063.5 Ų63.558%0.57635%0.352SS*.Iπ-helixtrans-76-53.2-179.2-67.8172.6000112.8L53 M54 V55 G61 G62L53-L57 WeakPolarHBondContact O-CG 3.41Å; L53-L57 PolarHBondContact O-N 3.45Å; M54-L57 PolarHBondContact O-N 3.48Å; V55-L57 VanDerWaalsContact C-N 3.28Å; V55-L57 PolarHBondContact O-N 3.17Å; L57-G61 CarbonylContact O-C 3.34Å; L57-G61 WeakPolarHBondContact O-CA 3.3Å; L57-G61 PolarHBondContact O-N 2.92Å; L57-G61 VanDerWaalsContact O-N 3.14Å; L57-G62 PolarHBondContact O-N 3.49Å
58I94.9Very high91Very high97 Ų9763.3 Ų63.350%0.49735%0.35SS..Iπ-helixtrans-76.1-43.4-171.5-60.8173.1000111M54 G62 M63M54-I58 HydrophobicContact CE-CD1 3.7Å; M54-I58 WeakPolarHBondContact O-CB 3.38Å; M54-I58 WeakPolarHBondContact O-CG1 3.14Å; M54-I58 PolarHBondContact O-N 2.96Å; I58-G62 CarbonylContact O-C 3.6Å; I58-G62 VanDerWaalsContact O-CA 3.25Å; I58-G62 WeakPolarHBondContact O-CA 3.36Å; I58-G62 PolarHBondContact O-N 3.42Å; I58-M63 PolarHBondContact O-N 2.9Å
59Y93.3Very high91.1Very high67 Ų6770.6 Ų70.626%0.26338%0.376SS..Iπ-helixtrans-78.7-62.7-177.9-175.8-96.2000111V55 M63 M64V55-Y59 WeakPolarHBondContact O-CA 3.43Å; V55-Y59 WeakPolarHBondContact O-CB 3.25Å; V55-Y59 PolarHBondContact O-N 3.15Å; Y59-M63 HydrophobicContact CD2-CE 3.55Å; Y59-M63 HydrophobicContact CE2-CE 4.41Å; Y59-M63 HydrophobicContact CG-CE 4.3Å; Y59-M63 PolarHBondContact O-N 3.28Å; Y59-M64 HydrophobicContact CD1-CG 4.25Å; Y59-M64 HydrophobicContact CE1-CG 4.01Å; Y59-M64 HydrophobicContact CE1-SD 4.18Å; Y59-M64 WeakPolarHBondContact O-CG 3.49Å; Y59-M64 PolarHBondContact O-N 3.02Å
60L90.8Very high91.2Very high18 Ų1873.6 Ų73.69%0.09439%0.393CS..Iπ-helixtrans-73.4-43.7-175.7-59.9174.5000112.4I33 V37 V55 F56 M64I33-L60 HydrophobicContact CB-CD2 4.2Å; I33-L60 HydrophobicContact CG1-CD2 4.19Å; I33-L60 HydrophobicContact CG2-CD2 4.22Å; V37-L60 HydrophobicContact CG2-CD1 3.71Å; V55-L60 PolarHBondContact O-N 3.43Å; F56-L60 HydrophobicContact CD2-CD1 3.59Å; F56-L60 HydrophobicContact CE2-CD1 3.88Å; F56-L60 HydrophobicContact CG-CD1 4.38Å; F56-L60 VanDerWaalsContact O-CB 3.3Å; F56-L60 WeakPolarHBondContact O-CB 3.33Å; F56-L60 PolarHBondContact O-N 3.03Å; L60-M64 HydrophobicContact CD2-CG 4.42Å
61G91Very high91Very high47 Ų4770.1 Ų70.149%0.48538%0.381SS..Iπ-helixtrans-79.9-29-179.700000114.5F56 L57 V65F56-G61 PolarHBondContact O-N 2.98Å; F56-G61 VanDerWaalsContact O-N 3.1Å; L57-G61 CarbonylContact O-C 3.34Å; L57-G61 WeakPolarHBondContact O-CA 3.3Å; L57-G61 PolarHBondContact O-N 2.92Å; L57-G61 VanDerWaalsContact O-N 3.14Å; G61-V65 WeakPolarHBondContact O-CG2 3.42Å
62G92.1Very high90.7Very high31 Ų3167.8 Ų67.832%0.3238%0.38SS..Iπ-helixtrans-98.8-79.2-176.300000112.6L57 I58 M64 V65 V66L57-G62 PolarHBondContact O-N 3.49Å; I58-G62 CarbonylContact O-C 3.6Å; I58-G62 VanDerWaalsContact O-CA 3.25Å; I58-G62 WeakPolarHBondContact O-CA 3.36Å; I58-G62 PolarHBondContact O-N 3.42Å; G62-M64 PolarHBondContact O-N 2.94Å; G62-V65 PolarHBondContact O-N 3.42Å; G62-V66 PolarHBondContact O-N 3.35Å
63M92.8Very high90.5Very high107 Ų10774.3 Ų74.353%0.52741%0.411SS..Iπ-helixtrans-64.3-41.4-169.9-67.3-172.3-69.600112.9I58 Y59 V65 V66 F67I58-M63 PolarHBondContact O-N 2.9Å; Y59-M63 HydrophobicContact CD2-CE 3.55Å; Y59-M63 HydrophobicContact CE2-CE 4.41Å; Y59-M63 HydrophobicContact CG-CE 4.3Å; Y59-M63 PolarHBondContact O-N 3.28Å; M63-V65 VanDerWaalsContact C-N 3.28Å; M63-V65 PolarHBondContact O-N 3.4Å; M63-V66 PolarHBondContact O-N 3.25Å; M63-F67 WeakPolarHBondContact O-CB 3.34Å; M63-F67 PolarHBondContact O-N 3.47Å
64M89.5Confident89.9Confident17 Ų1773.3 Ų73.38%0.08442%0.417CS..Hα-helixtrans-66.4-30.3-179.9-68.7-52.7-5800113G29 L32 I33 Y59 L60 G62 F67 G68G29-M64 WeakPolarHBondContact O-CE 3.47Å; L32-M64 HydrophobicContact CB-CE 3.64Å; L32-M64 HydrophobicContact CB-SD 4.03Å; L32-M64 HydrophobicContact CD1-CE 3.96Å; L32-M64 HydrophobicContact CD1-SD 4.13Å; L32-M64 HydrophobicContact CG-CE 4.46Å; I33-M64 HydrophobicContact CG1-CE 4.44Å; Y59-M64 HydrophobicContact CD1-CG 4.25Å; Y59-M64 HydrophobicContact CE1-CG 4.01Å; Y59-M64 HydrophobicContact CE1-SD 4.18Å; Y59-M64 WeakPolarHBondContact O-CG 3.49Å; Y59-M64 PolarHBondContact O-N 3.02Å; L60-M64 HydrophobicContact CD2-CG 4.42Å; G62-M64 PolarHBondContact O-N 2.94Å; M64-F67 HydrophobicContact CE-CD1 4.01Å; M64-G68 PolarHBondContact O-N 3.47Å
65V92.3Very high89.4Confident92 Ų9275.1 Ų75.156%0.55843%0.427SS*.Hα-helixtrans-70.8-45.8176.9178.20000110.7G61 G62 M63 F67 G68 Y69G61-V65 WeakPolarHBondContact O-CG2 3.42Å; G62-V65 PolarHBondContact O-N 3.42Å; M63-V65 VanDerWaalsContact C-N 3.28Å; M63-V65 PolarHBondContact O-N 3.4Å; V65-F67 VanDerWaalsContact C-N 3.31Å; V65-F67 PolarHBondContact O-N 3.29Å; V65-G68 PolarHBondContact O-N 3.2Å; V65-Y69 PolarHBondContact O-N 2.97Å
66V91.4Very high88.7Confident94 Ų9479.5 Ų79.557%0.5744%0.444SS*.Hα-helixtrans-62.9-41.5175.2-179.80000110.5G62 M63 Y69 T70G62-V66 PolarHBondContact O-N 3.35Å; M63-V66 PolarHBondContact O-N 3.25Å; V66-Y69 PolarHBondContact O-N 3.14Å; V66-T70 WeakPolarHBondContact O-CG2 3.32Å; V66-T70 PolarHBondContact O-N 3.15Å; V66-T70 PolarHBondContact O-OG1 2.96Å
67F89.2Confident87.8Confident76 Ų7683.3 Ų83.333%0.33346%0.463SS..Hα-helixtrans-56.6-54.8173.7179.1-103.9000111P25 M63 M64 V65 Y69 T70 T71P25-F67 HydrophobicContact CB-CZ 4.07Å; M63-F67 WeakPolarHBondContact O-CB 3.34Å; M63-F67 PolarHBondContact O-N 3.47Å; M64-F67 HydrophobicContact CE-CD1 4.01Å; V65-F67 VanDerWaalsContact C-N 3.31Å; V65-F67 PolarHBondContact O-N 3.29Å; F67-Y69 VanDerWaalsContact C-N 3.27Å; F67-Y69 PolarHBondContact O-N 3.1Å; F67-T70 PolarHBondContact O-N 3.16Å; F67-T70 VanDerWaalsContact O-N 3.08Å; F67-T70 PolarHBondContact O-OG1 3.24Å; F67-T71 HydrophobicContact CD1-CG2 4.09Å; F67-T71 HydrophobicContact CD2-CG2 4.32Å; F67-T71 HydrophobicContact CE1-CG2 3.76Å; F67-T71 HydrophobicContact CE2-CG2 4Å; F67-T71 HydrophobicContact CG-CG2 4.37Å; F67-T71 HydrophobicContact CZ-CG2 3.71Å; F67-T71 WeakPolarHBondContact O-CG2 3.33Å; F67-T71 PolarHBondContact O-N 3.06Å
68G88.7Confident86.8Confident33 Ų3387.8 Ų87.834%0.3447%0.474SS..Hα-helixtrans-54.1-42.317700000113M64 V65 T71 A72M64-G68 PolarHBondContact O-N 3.47Å; V65-G68 PolarHBondContact O-N 3.2Å; G68-T71 WeakPolarHBondContact CA-OG1 3.42Å; G68-T71 PolarHBondContact O-N 3.44Å; G68-T71 PolarHBondContact O-OG1 2.93Å; G68-A72 PolarHBondContact O-N 3.26Å
69Y89.1Confident85.9Confident161 Ų16186 Ų8663%0.63147%0.469SS*.Hα-helixtrans-62.2-44.6177-174.3-103000112.7V65 V66 F67 A72 M73V65-Y69 PolarHBondContact O-N 2.97Å; V66-Y69 PolarHBondContact O-N 3.14Å; F67-Y69 VanDerWaalsContact C-N 3.27Å; F67-Y69 PolarHBondContact O-N 3.1Å; Y69-A72 WeakPolarHBondContact O-CB 3.18Å; Y69-A72 PolarHBondContact O-N 3.11Å; Y69-M73 HydrophobicContact CD1-CE 4.09Å; Y69-M73 HydrophobicContact CE1-CE 3.35Å
70T86.9Confident85Confident70 Ų7087.5 Ų87.543%0.42948%0.478SS..Hα-helixtrans-70.1-34.1177.258.30000112.8V66 F67 A72 M73V66-T70 WeakPolarHBondContact O-CG2 3.32Å; V66-T70 PolarHBondContact O-N 3.15Å; V66-T70 PolarHBondContact O-OG1 2.96Å; F67-T70 PolarHBondContact O-N 3.16Å; F67-T70 VanDerWaalsContact O-N 3.08Å; F67-T70 PolarHBondContact O-OG1 3.24Å; T70-A72 PolarHBondContact O-N 3.38Å; T70-M73 WeakPolarHBondContact O-CB 3.46Å; T70-M73 PolarHBondContact O-N 2.93Å
71T85.9Confident84.4Confident22 Ų2288.7 Ų88.714%0.13549%0.49CS..Hα-helixtrans-63.8-30.9175.660.70000112P25 F67 G68 M73 A74 I75P25-T71 HydrophobicContact CB-CG2 3.39Å; P25-T71 HydrophobicContact CG-CG2 4.47Å; F67-T71 HydrophobicContact CD1-CG2 4.09Å; F67-T71 HydrophobicContact CD2-CG2 4.32Å; F67-T71 HydrophobicContact CE1-CG2 3.76Å; F67-T71 HydrophobicContact CE2-CG2 4Å; F67-T71 HydrophobicContact CG-CG2 4.37Å; F67-T71 HydrophobicContact CZ-CG2 3.71Å; F67-T71 WeakPolarHBondContact O-CG2 3.33Å; F67-T71 PolarHBondContact O-N 3.06Å; G68-T71 WeakPolarHBondContact CA-OG1 3.42Å; G68-T71 PolarHBondContact O-N 3.44Å; G68-T71 PolarHBondContact O-OG1 2.93Å; T71-M73 PolarHBondContact O-N 3.28Å; T71-A74 CarbonylContact O-C 3.52Å; T71-A74 PolarHBondContact O-N 3.47Å; T71-A74 VanDerWaalsContact O-N 3.07Å; T71-I75 WeakPolarHBondContact O-CG1 3.46Å; T71-I75 PolarHBondContact O-N 3.48Å
72A84.6Confident83.4Confident60 Ų6091.5 Ų91.550%0.49649%0.486SS..Hα-helixtrans-63.3-26174.500000113G68 Y69 T70 A74 I75G68-A72 PolarHBondContact O-N 3.26Å; Y69-A72 WeakPolarHBondContact O-CB 3.18Å; Y69-A72 PolarHBondContact O-N 3.11Å; T70-A72 PolarHBondContact O-N 3.38Å; A72-A74 VanDerWaalsContact C-N 3.32Å; A72-I75 HydrophobicContact CB-CD1 4.41Å
73M84.7Confident82.5Confident137 Ų13792.6 Ų92.668%0.67550%0.497SS*.THydrogen-bonded Turntrans-79.4-14.1176.3-59.7-179.7170.900113.3Y69 T70 T71Y69-M73 HydrophobicContact CD1-CE 4.09Å; Y69-M73 HydrophobicContact CE1-CE 3.35Å; T70-M73 WeakPolarHBondContact O-CB 3.46Å; T70-M73 PolarHBondContact O-N 2.93Å; T71-M73 PolarHBondContact O-N 3.28Å
74A81.4Confident81.7Confident78 Ų7891 Ų9165%0.64550%0.497SS*.THydrogen-bonded Turntrans-122.229.3-176.400000112.3T71 A72 E76T71-A74 CarbonylContact O-C 3.52Å; T71-A74 PolarHBondContact O-N 3.47Å; T71-A74 VanDerWaalsContact O-N 3.07Å; A72-A74 VanDerWaalsContact C-N 3.32Å; A74-E76 PolarHBondContact O-N 2.9Å
75I81.3Confident81.3Confident103 Ų10391 Ų9153%0.52850%0.501SS..  trans-72.9120.4178.3-64.5178.5000109.6I26 T71 A72I26-I75 HydrophobicContact CD1-CD1 4.25Å; I26-I75 HydrophobicContact CD1-CG1 4.32Å; T71-I75 WeakPolarHBondContact O-CG1 3.46Å; T71-I75 PolarHBondContact O-N 3.48Å; A72-I75 HydrophobicContact CB-CD1 4.41Å
76E78.8Confident80.9Confident149 Ų14992 Ų9270%0.69651%0.507SS*.  trans-81151.8167.6-61.5-177.3175.800110.9A74 Y78A74-E76 PolarHBondContact O-N 2.9Å; E76-Y78 PolarHBondContact O-N 3.1Å; E76-Y78 VanDerWaalsContact O-N 3.15Å
77E72.8Confident80.6Confident180 Ų18095.4 Ų95.484%0.84152%0.517SS*.SBendtrans-59.7-28-174.4-67.7-177.2169.900113.7
78Y72Confident80.3Confident204 Ų20492 Ų9280%0.850%0.502SS*.SBendtrans-128.788.8176.6-66.1-73.4000110.4E76 E80E76-Y78 PolarHBondContact O-N 3.1Å; E76-Y78 VanDerWaalsContact O-N 3.15Å; Y78-E80 PolarHBondContact O-N 2.83Å
79P75.4Confident80.1Confident60 Ų6094.4 Ų94.439%0.3951%0.507SS..PPolyproline II helixtrans-64.9135.5178.326.2-33.3000110.3A81P79-A81 PolarHBondContact O-N 2.87Å; P79-A81 VanDerWaalsContact O-N 3.1Å
80E75.1Confident80.1Confident98 Ų9890.6 Ų90.646%0.45850%0.5SS..PPolyproline II helixtrans-57.1119.1173.7-67.2-168.2172.300110.2S24 Y27 Y78S24-E80 PolarHBondContact OG-O 3.28Å; Y27-E80 WeakPolarHBondContact CD2-O 3.02Å; Y78-E80 PolarHBondContact O-N 2.83Å
81A76.8Confident80.1Confident43 Ų4389.3 Ų89.336%0.35549%0.494SS..PPolyproline II helixtrans-82156.8169.800000110.3P79 G83 S84P79-A81 PolarHBondContact O-N 2.87Å; P79-A81 VanDerWaalsContact O-N 3.1Å; A81-G83 PolarHBondContact O-N 3.03Å; A81-S84 PolarHBondContact N-OG 3.27Å; A81-S84 WeakPolarHBondContact O-CB 3.49Å; A81-S84 PolarHBondContact O-N 3.26Å; A81-S84 PolarHBondContact O-OG 3.18Å
82W71.6Confident80.2Confident107 Ų10789.9 Ų89.941%0.40550%0.497SS..THydrogen-bonded Turntrans-51.4-29.3-177.4-75.672.2000115.6Y27 V31Y27-W82 AromaticContact CD1-CD1 3.93Å; Y27-W82 AromaticContact CD1-NE1 3.5Å; Y27-W82 AromaticContact CG-CD1 3.85Å; Y27-W82 AromaticContact CG-NE1 3.48Å; V31-W82 HydrophobicContact CG2-CH2 3.39Å; V31-W82 HydrophobicContact CG2-CZ2 3.22Å
83G72.5Confident80.4Confident53 Ų5392.5 Ų92.555%0.54650%0.502SS..THydrogen-bonded Turntrans-108.34.817900000114.8A81A81-G83 PolarHBondContact O-N 3.03Å
84S76.1Confident80.7Confident75 Ų7590 Ų9052%0.52450%0.495SS..THydrogen-bonded Turntrans-81.8-38.8-17563.20000112.6A81A81-S84 PolarHBondContact N-OG 3.27Å; A81-S84 WeakPolarHBondContact O-CB 3.49Å; A81-S84 PolarHBondContact O-N 3.26Å; A81-S84 PolarHBondContact O-OG 3.18Å
85G81.3Confident81.1Confident16 Ų1687 Ų8717%0.16547%0.472CS..  trans-88123.3176.500000111.9E87 V88 L89G85-E87 PolarHBondContact O-N 3.49Å; G85-V88 WeakPolarHBondContact O-CB 3.49Å; G85-V88 PolarHBondContact O-N 3.24Å; G85-V88 VanDerWaalsContact O-N 3.16Å; G85-L89 PolarHBondContact O-N 3.12Å; G85-L89 VanDerWaalsContact O-N 3.14Å
86V83.6Confident81.4Confident112 Ų11285.3 Ų85.368%0.67946%0.463SS*.Hα-helixtrans-57.9-36.8170.2179.20000110.3L89 V90V86-L89 PolarHBondContact O-N 3Å; V86-V90 HydrophobicContact CG1-CG2 4.29Å; V86-V90 WeakPolarHBondContact O-CB 3.2Å; V86-V90 VanDerWaalsContact O-CG2 3.23Å; V86-V90 WeakPolarHBondContact O-CG2 3.42Å; V86-V90 PolarHBondContact O-N 3.27Å
87E84.2Confident81.9Confident167 Ų16781.2 Ų81.278%0.7846%0.455SS*.Hα-helixtrans-66.3-37.7177.1-59.5-171.5178.200112.9G85 V90 S91G85-E87 PolarHBondContact O-N 3.49Å; E87-V90 PolarHBondContact O-N 3.37Å; E87-S91 WeakPolarHBondContact O-CB 3.27Å; E87-S91 PolarHBondContact O-N 3.48Å; E87-S91 PolarHBondContact O-OG 3.02Å
88V84.3Confident82.6Confident5 Ų578.1 Ų78.13%0.0344%0.442CS..Hα-helixtrans-63.4-46.5175.6-177.90000109.8G85 S91 V92G85-V88 WeakPolarHBondContact O-CB 3.49Å; G85-V88 PolarHBondContact O-N 3.24Å; G85-V88 VanDerWaalsContact O-N 3.16Å; V88-S91 PolarHBondContact O-N 2.94Å; V88-S91 PolarHBondContact O-OG 3.26Å; V88-V92 VanDerWaalsContact O-CG2 3.27Å; V88-V92 WeakPolarHBondContact O-CG2 3.37Å; V88-V92 PolarHBondContact O-N 3.39Å
89L84.8Confident83.2Confident83 Ų8369.7 Ų69.744%0.43541%0.41SS..Hα-helixtrans-65-42.8177.6-71.8172.5000112.5G85 V86 V92 L93G85-L89 PolarHBondContact O-N 3.12Å; G85-L89 VanDerWaalsContact O-N 3.14Å; V86-L89 PolarHBondContact O-N 3Å; L89-V92 PolarHBondContact O-N 2.85Å; L89-L93 WeakPolarHBondContact O-CG 3.3Å; L89-L93 PolarHBondContact O-N 3.28Å
90V88.9Confident83.6Confident80 Ų8069.3 Ų69.349%0.48541%0.412SS..Hα-helixtrans-62.8-45.5177.7170.50000110.8V86 E87 V92 L93 V94V86-V90 HydrophobicContact CG1-CG2 4.29Å; V86-V90 WeakPolarHBondContact O-CB 3.2Å; V86-V90 VanDerWaalsContact O-CG2 3.23Å; V86-V90 WeakPolarHBondContact O-CG2 3.42Å; V86-V90 PolarHBondContact O-N 3.27Å; E87-V90 PolarHBondContact O-N 3.37Å; V90-V92 PolarHBondContact O-N 2.95Å; V90-L93 PolarHBondContact O-N 3.26Å; V90-V94 HydrophobicContact CG1-CG2 4.41Å; V90-V94 VanDerWaalsContact O-CG2 3.3Å; V90-V94 WeakPolarHBondContact O-CG2 3.25Å; V90-V94 PolarHBondContact O-N 3.46Å
91S87.3Confident84.1Confident43 Ų4366.5 Ų66.530%0.30141%0.408SS..Hα-helixtrans-65.3-37.7179.456.70000112.8S21 E87 V88 V94 G95S21-S91 WeakPolarHBondContact CA-OG 3.35Å; S21-S91 WeakPolarHBondContact CB-OG 2.95Å; E87-S91 WeakPolarHBondContact O-CB 3.27Å; E87-S91 PolarHBondContact O-N 3.48Å; E87-S91 PolarHBondContact O-OG 3.02Å; V88-S91 PolarHBondContact O-N 2.94Å; V88-S91 PolarHBondContact O-OG 3.26Å; S91-V94 PolarHBondContact O-N 3.32Å; S91-G95 PolarHBondContact O-N 3.19Å
92V88Confident84.4Confident34 Ų3469 Ų6921%0.20642%0.416CS..Hα-helixtrans-64.2-44.5173.1172.20000111.3V88 L89 V90 V94 G95 L96V88-V92 VanDerWaalsContact O-CG2 3.27Å; V88-V92 WeakPolarHBondContact O-CG2 3.37Å; V88-V92 PolarHBondContact O-N 3.39Å; L89-V92 PolarHBondContact O-N 2.85Å; V90-V92 PolarHBondContact O-N 2.95Å; V92-V94 VanDerWaalsContact C-N 3.35Å; V92-V94 PolarHBondContact O-N 3Å; V92-G95 PolarHBondContact O-N 2.93Å; V92-L96 HydrophobicContact CG1-CD1 4.08Å; V92-L96 HydrophobicContact CG1-CG 4.47Å; V92-L96 WeakPolarHBondContact O-CG 3.48Å; V92-L96 PolarHBondContact O-N 2.95Å
93L88.6Confident84.8Confident116 Ų11666.8 Ų66.861%0.60741%0.413SS*.Hα-helixtrans-62.7-40.9177.3-73.6174000112.2L89 V90 L96 A97L89-L93 WeakPolarHBondContact O-CG 3.3Å; L89-L93 PolarHBondContact O-N 3.28Å; V90-L93 PolarHBondContact O-N 3.26Å; L93-L96 PolarHBondContact O-N 3.37Å; L93-A97 VanDerWaalsContact O-CB 3.3Å; L93-A97 WeakPolarHBondContact O-CB 3.3Å; L93-A97 PolarHBondContact O-N 2.86Å
94V90.9Very high85.2Confident85 Ų8569.2 Ų69.252%0.51541%0.414SS..Hα-helixtrans-64-43.7175172.40000110.7V90 S91 V92 A97 M98V90-V94 HydrophobicContact CG1-CG2 4.41Å; V90-V94 VanDerWaalsContact O-CG2 3.3Å; V90-V94 WeakPolarHBondContact O-CG2 3.25Å; V90-V94 PolarHBondContact O-N 3.46Å; S91-V94 PolarHBondContact O-N 3.32Å; V92-V94 VanDerWaalsContact C-N 3.35Å; V92-V94 PolarHBondContact O-N 3Å; V94-A97 PolarHBondContact O-N 3.22Å; V94-M98 HydrophobicContact CG1-CG 4.46Å; V94-M98 WeakPolarHBondContact O-CG 3.39Å; V94-M98 PolarHBondContact O-N 2.9Å
95G88.6Confident85.3Confident15 Ų1571.1 Ų71.116%0.15541%0.409CS..Hα-helixtrans-58.9-48.3176.200000112.4S91 V92 A97 M98 E99S91-G95 PolarHBondContact O-N 3.19Å; V92-G95 PolarHBondContact O-N 2.93Å; G95-A97 VanDerWaalsContact C-N 3.35Å; G95-A97 PolarHBondContact O-N 3.49Å; G95-M98 PolarHBondContact O-N 2.81Å; G95-E99 WeakPolarHBondContact O-CG 3.35Å; G95-E99 PolarHBondContact O-N 3.39Å
96L87.5Confident84.7Confident66 Ų6674.6 Ų74.635%0.34643%0.427SS..Hα-helixtrans-60.8-41.5175.5-73.5174.4000112.9M14 V92 L93 M98 E99 A100M14-L96 HydrophobicContact CE-CD2 3.7Å; M14-L96 HydrophobicContact SD-CD2 3.27Å; M14-L96 WeakPolarHBondContact SD-CD2 3.32Å; V92-L96 HydrophobicContact CG1-CD1 4.08Å; V92-L96 HydrophobicContact CG1-CG 4.47Å; V92-L96 WeakPolarHBondContact O-CG 3.48Å; V92-L96 PolarHBondContact O-N 2.95Å; L93-L96 PolarHBondContact O-N 3.37Å; L96-M98 VanDerWaalsContact C-N 3.34Å; L96-E99 PolarHBondContact O-N 3.44Å; L96-A100 WeakPolarHBondContact O-CB 3.36Å; L96-A100 PolarHBondContact O-N 2.94Å
97A89.9Confident83.8Confident64 Ų6477.3 Ų77.353%0.52943%0.43SS..Hα-helixtrans-65.1-38.6177.700000111.7L93 V94 G95 G101L93-A97 VanDerWaalsContact O-CB 3.3Å; L93-A97 WeakPolarHBondContact O-CB 3.3Å; L93-A97 PolarHBondContact O-N 2.86Å; V94-A97 PolarHBondContact O-N 3.22Å; G95-A97 VanDerWaalsContact C-N 3.35Å; G95-A97 PolarHBondContact O-N 3.49Å; A97-G101 WeakPolarHBondContact O-CA 3.37Å; A97-G101 PolarHBondContact O-N 3.39Å
98M86.8Confident82.7Confident115 Ų11577.2 Ų77.257%0.56743%0.429SS*.Hα-helixtrans-67.3-44.4175.8-72.3-61.2-63.800111.7V94 G95 L96 G101 L102V94-M98 HydrophobicContact CG1-CG 4.46Å; V94-M98 WeakPolarHBondContact O-CG 3.39Å; V94-M98 PolarHBondContact O-N 2.9Å; G95-M98 PolarHBondContact O-N 2.81Å; L96-M98 VanDerWaalsContact C-N 3.34Å; M98-G101 PolarHBondContact O-N 3.34Å; M98-L102 WeakPolarHBondContact O-CB 3.26Å; M98-L102 VanDerWaalsContact O-CG 3.26Å; M98-L102 WeakPolarHBondContact O-CG 3.07Å; M98-L102 PolarHBondContact O-N 2.92Å
99E84.5Confident81.1Confident27 Ų2782.7 Ų82.713%0.12645%0.45CS..Hα-helixtrans-60.6-54.6175.6-73.8-178.3-164.500111.5V13 M14 V17 G95 L96 G101 L102 V103V13-E99 HydrophobicContact CB-CG 4.36Å; V13-E99 WeakPolarHBondContact CB-OE1 3.37Å; V13-E99 HydrophobicContact CG1-CG 3.8Å; V13-E99 WeakPolarHBondContact CG1-OE1 3.38Å; M14-E99 WeakPolarHBondContact CG-OE2 3.39Å; M14-E99 PolarHBondContact N-OE1 3.35Å; V17-E99 VanDerWaalsContact CG2-OE1 3.27Å; V17-E99 WeakPolarHBondContact CG2-OE1 3.41Å; G95-E99 WeakPolarHBondContact O-CG 3.35Å; G95-E99 PolarHBondContact O-N 3.39Å; L96-E99 PolarHBondContact O-N 3.44Å; E99-G101 VanDerWaalsContact C-N 3.31Å; E99-G101 PolarHBondContact O-N 3.03Å; E99-L102 PolarHBondContact O-N 3.38Å; E99-V103 WeakPolarHBondContact O-CB 3.34Å; E99-V103 VanDerWaalsContact O-CG2 3.25Å; E99-V103 WeakPolarHBondContact O-CG2 3.33Å; E99-V103 PolarHBondContact O-N 2.96Å
100A85.1Confident79.2Confident52 Ų5284.9 Ų84.943%0.4346%0.462SS..Hα-helixtrans-62-40.3179.500000111.6L96 V103 L104L96-A100 WeakPolarHBondContact O-CB 3.36Å; L96-A100 PolarHBondContact O-N 2.94Å; A100-V103 PolarHBondContact O-N 3.42Å; A100-L104 VanDerWaalsContact O-CB 3.3Å; A100-L104 WeakPolarHBondContact O-CB 3.44Å; A100-L104 WeakPolarHBondContact O-CG 3.38Å; A100-L104 PolarHBondContact O-N 2.96Å
101G84.9Confident76.9Confident38 Ų3884.3 Ų84.339%0.39247%0.473SS..Hα-helixtrans-60-48.8176.900000112.1A97 M98 E99 W105A97-G101 WeakPolarHBondContact O-CA 3.37Å; A97-G101 PolarHBondContact O-N 3.39Å; M98-G101 PolarHBondContact O-N 3.34Å; E99-G101 VanDerWaalsContact C-N 3.31Å; E99-G101 PolarHBondContact O-N 3.03Å; G101-W105 WeakPolarHBondContact O-CB 3.4Å; G101-W105 PolarHBondContact O-N 2.91Å
102L82.4Confident74.3Confident97 Ų9789.1 Ų89.151%0.50849%0.492SS..Hα-helixtrans-67.2-40.6178-70.1173.2000112.1M98 E99 W105 V106M98-L102 WeakPolarHBondContact O-CB 3.26Å; M98-L102 VanDerWaalsContact O-CG 3.26Å; M98-L102 WeakPolarHBondContact O-CG 3.07Å; M98-L102 PolarHBondContact O-N 2.92Å; E99-L102 PolarHBondContact O-N 3.38Å; L102-W105 PolarHBondContact O-N 3.18Å; L102-V106 WeakPolarHBondContact O-CB 3.42Å; L102-V106 VanDerWaalsContact O-CG2 3.24Å; L102-V106 WeakPolarHBondContact O-CG2 3.5Å; L102-V106 PolarHBondContact O-N 3.13Å
103V81.6Confident71.9Confident59 Ų5994.5 Ų94.536%0.35853%0.525SS..Hα-helixtrans-65.3-43.2178.2171.20000111.5F6 E99 A100 K107F6-V103 HydrophobicContact CZ-CG1 4.07Å; F6-V103 HydrophobicContact CZ-CG2 4.05Å; E99-V103 WeakPolarHBondContact O-CB 3.34Å; E99-V103 VanDerWaalsContact O-CG2 3.25Å; E99-V103 WeakPolarHBondContact O-CG2 3.33Å; E99-V103 PolarHBondContact O-N 2.96Å; A100-V103 PolarHBondContact O-N 3.42Å; V103-K107 WeakPolarHBondContact O-CB 3.32Å; V103-K107 PolarHBondContact O-N 3.14Å; V103-K107 VanDerWaalsContact O-N 3.08Å
104L80.6Confident69.4Low105 Ų10592.8 Ų92.855%0.5552%0.519SS..Hα-helixtrans-67.1-41.1175.9-70.6173000111.3A100 V106 K107 E108A100-L104 VanDerWaalsContact O-CB 3.3Å; A100-L104 WeakPolarHBondContact O-CB 3.44Å; A100-L104 WeakPolarHBondContact O-CG 3.38Å; A100-L104 PolarHBondContact O-N 2.96Å; L104-V106 PolarHBondContact O-N 3.27Å; L104-K107 PolarHBondContact O-N 2.93Å; L104-K107 VanDerWaalsContact O-N 3.14Å; L104-E108 WeakPolarHBondContact O-CB 3.47Å; L104-E108 PolarHBondContact O-N 3.48Å
105W76.8Confident67.1Low115 Ų11595.7 Ų95.744%0.43654%0.536SS..Hα-helixtrans-60.1-46.2176.3-168.267.4000111.6G101 L102 K107 E108 Y109 V114G101-W105 WeakPolarHBondContact O-CB 3.4Å; G101-W105 PolarHBondContact O-N 2.91Å; L102-W105 PolarHBondContact O-N 3.18Å; W105-K107 VanDerWaalsContact C-N 3.28Å; W105-K107 PolarHBondContact O-N 3.16Å; W105-E108 PolarHBondContact O-N 3.09Å; W105-Y109 AromaticContact CD1-CD2 3.53Å; W105-Y109 AromaticContact CD1-CE2 3.23Å; W105-Y109 HydrophobicContact CD2-CD2 4.34Å; W105-Y109 AromaticContact CE2-CD2 3.98Å; W105-Y109 AromaticContact CE2-CE2 3.89Å; W105-Y109 HydrophobicContact CG-CD2 4.07Å; W105-Y109 HydrophobicContact CG-CE2 4.19Å; W105-Y109 AromaticContact NE1-CD2 3.45Å; W105-Y109 AromaticContact NE1-CE2 2.99Å; W105-Y109 AromaticContact NE1-CZ 3.48Å; W105-Y109 VanDerWaalsContact O-CD2 3.29Å; W105-Y109 WeakPolarHBondContact O-CD2 3.27Å; W105-Y109 PolarHBondContact O-N 2.9Å; W105-Y109 VanDerWaalsContact O-N 3.11Å; W105-V114 HydrophobicContact CH2-CG1 4.42Å; W105-V114 HydrophobicContact CH2-CG2 4.43Å
106V70.4Confident64.5Low88 Ų8899.4 Ų99.453%0.53356%0.556SS.*Hα-helixtrans-63-34.8176171.30000111.8L102 L104L102-V106 WeakPolarHBondContact O-CB 3.42Å; L102-V106 VanDerWaalsContact O-CG2 3.24Å; L102-V106 WeakPolarHBondContact O-CG2 3.5Å; L102-V106 PolarHBondContact O-N 3.13Å; L104-V106 PolarHBondContact O-N 3.27Å
107K64.6Low62.1Low169 Ų169102.6 Ų102.674%0.73557%0.573SS**Hα-helixtrans-73.2-31.7178.3-171.1-178.5176.9-173.50113.2V103 L104 W105V103-K107 WeakPolarHBondContact O-CB 3.32Å; V103-K107 PolarHBondContact O-N 3.14Å; V103-K107 VanDerWaalsContact O-N 3.08Å; L104-K107 PolarHBondContact O-N 2.93Å; L104-K107 VanDerWaalsContact O-N 3.14Å; W105-K107 VanDerWaalsContact C-N 3.28Å; W105-K107 PolarHBondContact O-N 3.16Å
108E59.3Low59.8Low165 Ų165107.2 Ų107.277%0.77158%0.582SS**Hα-helixtrans-87-24.2-175-157.5165.1-157.300112.5L104 W105 D110L104-E108 WeakPolarHBondContact O-CB 3.47Å; L104-E108 PolarHBondContact O-N 3.48Å; W105-E108 PolarHBondContact O-N 3.09Å; E108-D110 PolarHBondContact O-N 3.21Å
109Y50.5Low57.4Low121 Ų121107.1 Ų107.148%0.47558%0.583SS.*  trans-95.939.1178.7-79-99.1000114.1W105 G111 M112W105-Y109 AromaticContact CD1-CD2 3.53Å; W105-Y109 AromaticContact CD1-CE2 3.23Å; W105-Y109 HydrophobicContact CD2-CD2 4.34Å; W105-Y109 AromaticContact CE2-CD2 3.98Å; W105-Y109 AromaticContact CE2-CE2 3.89Å; W105-Y109 HydrophobicContact CG-CD2 4.07Å; W105-Y109 HydrophobicContact CG-CE2 4.19Å; W105-Y109 AromaticContact NE1-CD2 3.45Å; W105-Y109 AromaticContact NE1-CE2 2.99Å; W105-Y109 AromaticContact NE1-CZ 3.48Å; W105-Y109 VanDerWaalsContact O-CD2 3.29Å; W105-Y109 WeakPolarHBondContact O-CD2 3.27Å; W105-Y109 PolarHBondContact O-N 2.9Å; W105-Y109 VanDerWaalsContact O-N 3.11Å; Y109-G111 PolarHBondContact O-N 3.43Å; Y109-M112 HydrophobicContact CD1-CB 4.49Å
110D45.3Very low55.5Low129 Ų129110 Ų11069%0.6961%0.607SS**THydrogen-bonded Turntrans-67.526.4175.5-158.128.3000113.7E108E108-D110 PolarHBondContact O-N 3.21Å
111G40.4Very low53.6Low68 Ų68110.5 Ų110.570%0.70160%0.604SS**THydrogen-bonded Turntrans-154.5-1-172.700000117.8Y109Y109-G111 PolarHBondContact O-N 3.43Å
112M33Very low51.7Low144 Ų144110.7 Ų110.771%0.70961%0.606SS**SBendtrans-131.3113.8179.7-67.4-94.1-91.900110.4Y109 V114Y109-M112 HydrophobicContact CD1-CB 4.49Å; M112-V114 VanDerWaalsContact C-N 3.31Å; M112-V114 PolarHBondContact O-N 2.93Å
113V38.8Very low50.2Low147 Ų147109.9 Ų109.989%0.89161%0.609SS**  trans-4884.1174.7-179.40000111.5
114V35Very low48.7Very low79 Ų79113.8 Ų113.848%0.47962%0.617SS.*  trans-94.6109162.8179.80000105.9W105 M112 V116W105-V114 HydrophobicContact CH2-CG1 4.42Å; W105-V114 HydrophobicContact CH2-CG2 4.43Å; M112-V114 VanDerWaalsContact C-N 3.31Å; M112-V114 PolarHBondContact O-N 2.93Å; V114-V116 CarbonylContact O-C 3.4Å; V114-V116 PolarHBondContact O-N 3.31Å
115V42.2Very low47.6Very low146 Ų146112 Ų11289%0.88561%0.607SS**SBendtrans10.3-14.3163.2-173.40000121.8
116V35.5Very low46.7Very low94 Ų94111.4 Ų111.457%0.5761%0.611SS**SBendtrans-112.298.8161.6-166.20000107.5V114 F118V114-V116 CarbonylContact O-C 3.4Å; V114-V116 PolarHBondContact O-N 3.31Å; V116-F118 VanDerWaalsContact C-N 3.33Å; V116-F118 HydrophobicContact CB-CD2 4.12Å; V116-F118 HydrophobicContact CB-CE2 3.77Å; V116-F118 HydrophobicContact CG1-CD2 3.87Å; V116-F118 HydrophobicContact CG1-CE1 4.32Å; V116-F118 HydrophobicContact CG1-CE2 3.3Å; V116-F118 HydrophobicContact CG1-CZ 3.56Å; V116-F118 WeakPolarHBondContact O-CD2 3.47Å; V116-F118 PolarHBondContact O-N 3.21Å
117N35.5Very low46.4Very low133 Ų133116.5 Ų116.571%0.71162%0.622SS**  trans-64.587.9-178.4-171.4-7000110.9N119N117-N119 VanDerWaalsContact C-N 3.29Å; N117-N119 VanDerWaalsContact OD1-CB 3.22Å; N117-N119 WeakPolarHBondContact OD1-CB 3.49Å; N117-N119 PolarHBondContact OD1-N 3.46Å; N117-N119 VanDerWaalsContact OD1-N 3.15Å
118F42.3Very low46.7Very low161 Ų161116.9 Ų116.971%0.70663%0.627SS**  trans-95.146.7165.4-64.7-71.6000110.1V116 S120V116-F118 VanDerWaalsContact C-N 3.33Å; V116-F118 HydrophobicContact CB-CD2 4.12Å; V116-F118 HydrophobicContact CB-CE2 3.77Å; V116-F118 HydrophobicContact CG1-CD2 3.87Å; V116-F118 HydrophobicContact CG1-CE1 4.32Å; V116-F118 HydrophobicContact CG1-CE2 3.3Å; V116-F118 HydrophobicContact CG1-CZ 3.56Å; V116-F118 WeakPolarHBondContact O-CD2 3.47Å; V116-F118 PolarHBondContact O-N 3.21Å; F118-S120 PolarHBondContact O-N 2.94Å
119N35.8Very low47.2Very low112 Ų112112 Ų11260%0.59962%0.62SS**  trans-57.4105.3172.3-99.30.8000109.7N117 V121N117-N119 VanDerWaalsContact C-N 3.29Å; N117-N119 VanDerWaalsContact OD1-CB 3.22Å; N117-N119 WeakPolarHBondContact OD1-CB 3.49Å; N117-N119 PolarHBondContact OD1-N 3.46Å; N117-N119 VanDerWaalsContact OD1-N 3.15Å; N119-V121 PolarHBondContact O-N 3.13Å
120S45.4Very low48Very low89 Ų89115.8 Ų115.862%0.62264%0.642SS**SBendtrans30.951.6146.680.40000119.1F118F118-S120 PolarHBondContact O-N 2.94Å
121V44.5Very low49.2Very low61 Ų61112.6 Ų112.637%0.3764%0.64SS.*  trans-142.168.6163.2-156.40000109.3N119 S123 W124N119-V121 PolarHBondContact O-N 3.13Å; V121-S123 PolarHBondContact O-N 3.46Å; V121-W124 HydrophobicContact CB-CB 4.38Å; V121-W124 VanDerWaalsContact CB-CD1 3.41Å; V121-W124 HydrophobicContact CB-CD2 3.75Å; V121-W124 HydrophobicContact CB-CG 3.56Å; V121-W124 HydrophobicContact CB-CZ2 4.3Å; V121-W124 HydrophobicContact CG1-CB 3.67Å; V121-W124 HydrophobicContact CG1-CD2 3.77Å; V121-W124 HydrophobicContact CG1-CG 3.35Å; V121-W124 HydrophobicContact CG2-CD2 3.96Å; V121-W124 HydrophobicContact CG2-CG 4.31Å; V121-W124 HydrophobicContact CG2-CH2 4.45Å; V121-W124 HydrophobicContact CG2-CZ2 3.85Å; V121-W124 PolarHBondContact O-N 3.2Å; V121-W124 PolarHBondContact O-NE1 2.96Å
122G46.5Very low50.2Low42 Ų42115.6 Ų115.643%0.43365%0.65SS.*THydrogen-bonded Turntrans-62.69.5-175.600000116.8
123S51.2Low52Low81 Ų81111.6 Ų111.657%0.56665%0.646SS**THydrogen-bonded Turntrans-133.7-5.5-177.964.40000115.6V121 M125V121-S123 PolarHBondContact O-N 3.46Å; S123-M125 VanDerWaalsContact C-N 3.28Å; S123-M125 PolarHBondContact O-N 3.48Å
124W49.3Very low53.6Low140 Ų140113.3 Ų113.353%0.5365%0.649SS.*  trans-92.338.9177.475.4-17.4000112.6V121 I126V121-W124 HydrophobicContact CB-CB 4.38Å; V121-W124 VanDerWaalsContact CB-CD1 3.41Å; V121-W124 HydrophobicContact CB-CD2 3.75Å; V121-W124 HydrophobicContact CB-CG 3.56Å; V121-W124 HydrophobicContact CB-CZ2 4.3Å; V121-W124 HydrophobicContact CG1-CB 3.67Å; V121-W124 HydrophobicContact CG1-CD2 3.77Å; V121-W124 HydrophobicContact CG1-CG 3.35Å; V121-W124 HydrophobicContact CG2-CD2 3.96Å; V121-W124 HydrophobicContact CG2-CG 4.31Å; V121-W124 HydrophobicContact CG2-CH2 4.45Å; V121-W124 HydrophobicContact CG2-CZ2 3.85Å; V121-W124 PolarHBondContact O-N 3.2Å; V121-W124 PolarHBondContact O-NE1 2.96Å; W124-I126 PolarHBondContact O-N 3.19Å
125M56.5Low55.7Low69 Ų69115 Ų11534%0.3465%0.654SS.*  trans-69.20.9-171.3-65.5177.6175.100114L5 F6 F46 S123L5-M125 HydrophobicContact CB-SD 3.71Å; L5-M125 HydrophobicContact CD1-CB 4.08Å; L5-M125 HydrophobicContact CD1-SD 3.96Å; L5-M125 HydrophobicContact CG-SD 4.48Å; F6-M125 HydrophobicContact CB-CE 4.48Å; F46-M125 HydrophobicContact CE1-CB 4.34Å; F46-M125 WeakPolarHBondContact CE1-O 3.37Å; S123-M125 VanDerWaalsContact C-N 3.28Å; S123-M125 PolarHBondContact O-N 3.48Å
126I59.4Low57.6Low101 Ų101115.1 Ų115.152%0.51864%0.639SS.*  trans-112.2104.8170.1-60.2171.2000105.9W124 E128W124-I126 PolarHBondContact O-N 3.19Å; I126-E128 WeakPolarHBondContact CG2-O 3.24Å
127Y64.3Low60Low196 Ų196118.5 Ų118.577%0.76965%0.648SS**SBendtrans-67.5-50.4-175.2-70.8-79.2000111.9
128E70.7Confident62.3Low177 Ų177113.9 Ų113.983%0.82762%0.624SS**SBendtrans-117.1131172-69.8-174166.300108.6I126I126-E128 WeakPolarHBondContact CG2-O 3.24Å
129G69.9Low64.4Low61 Ų61109.3 Ų109.363%0.62961%0.61SS**  trans-68.6163.5177.100000112G131G129-G131 PolarHBondContact O-N 2.91Å
130E66.3Low67Low201 Ų201108.1 Ų108.194%0.93960%0.603SS**  trans-56.4108.4169.761.5-171.7175.900108.4
131G71.4Confident69.1Low62 Ų62106.3 Ų106.364%0.63960%0.598SS**  trans-61.4-179178.200000111.5G129 G133G129-G131 PolarHBondContact O-N 2.91Å; G131-G133 PolarHBondContact O-N 3.25Å
132S60.8Low71.2Confident131 Ų131104.9 Ų104.992%0.91659%0.592SS**SBendtrans-73.623178.457.40000114.6
133G70.5Confident73.3Confident60 Ų60104.5 Ų104.562%0.61959%0.589SS**  trans-67.7134.7-179.700000111.7G131 I135G131-G133 PolarHBondContact O-N 3.25Å; G133-I135 PolarHBondContact O-N 3.42Å
134L73.1Confident75.2Confident183 Ų183102.3 Ų102.396%0.95858%0.575SS**SBendtrans-71.8-13.6175.8-65.1173.9000113
135I79.6Confident77.3Confident116 Ų11699.2 Ų99.260%0.59557%0.569SS**SBendtrans-132.2136.8-171.5-43.1169.2000109.8G133 I140G133-I135 PolarHBondContact O-N 3.42Å; I135-I140 HydrophobicContact CB-CD1 3.48Å; I135-I140 VanDerWaalsContact CB-CD1 3.48Å; I135-I140 HydrophobicContact CB-CG1 4.46Å; I135-I140 HydrophobicContact CD1-CD1 4.05Å; I135-I140 HydrophobicContact CG1-CD1 4.37Å; I135-I140 HydrophobicContact CG2-CD1 3.18Å; I135-I140 HydrophobicContact CG2-CG1 3.63Å
136R81.5Confident79Confident147 Ų147104 Ų10456%0.55559%0.585SS**  trans-71.7144.4174.7-64.9176.370.5178.66.3110.8G47 P139G47-R136 PolarHBondContact O-NH2 3.34Å; R136-P139 WeakPolarHBondContact O-CD 3.46Å
137E85Confident80.5Confident166 Ų166105.2 Ų105.278%0.77659%0.592SS**Hα-helixtrans-68.7-43.7-171-59.5-178.5177.100113.1I140 G141E137-I140 PolarHBondContact O-N 2.89Å; E137-G141 PolarHBondContact O-N 2.92Å
138D84.4Confident81.8Confident36 Ų36105.8 Ų105.819%0.19359%0.594CS.*Hα-helixtrans-54.6-53.6-172.1-43.4-31.2000115G48 G49 Y50 M51 I140 G141 A142G48-D138 WeakPolarHBondContact CA-OD2 3.18Å; G49-D138 PolarHBondContact N-OD2 2.96Å; Y50-D138 HydrophobicContact CD1-CB 4.48Å; Y50-D138 PolarHBondContact N-OD2 3.39Å; M51-D138 HydrophobicContact CG-CB 4.29Å; D138-I140 VanDerWaalsContact C-N 3.32Å; D138-I140 PolarHBondContact O-N 2.88Å; D138-G141 PolarHBondContact O-N 3.43Å; D138-A142 WeakPolarHBondContact O-CB 3.3Å; D138-A142 PolarHBondContact O-N 2.91Å
139P86.8Confident82.8Confident64 Ų6498 Ų9842%0.41656%0.561SS.*Hα-helixtrans-69.4-30-176.828.1-36.1000112.6R136 G143R136-P139 WeakPolarHBondContact O-CD 3.46Å; P139-G143 PolarHBondContact O-N 3.38Å
140I90.8Very high84Confident88 Ų88103.9 Ų103.945%0.45156%0.564SS.*Hα-helixtrans-68.1-47.3175.4-62.3168.9000109.6I135 E137 D138 A142 G143 A144I135-I140 HydrophobicContact CB-CD1 3.48Å; I135-I140 VanDerWaalsContact CB-CD1 3.48Å; I135-I140 HydrophobicContact CB-CG1 4.46Å; I135-I140 HydrophobicContact CD1-CD1 4.05Å; I135-I140 HydrophobicContact CG1-CD1 4.37Å; I135-I140 HydrophobicContact CG2-CD1 3.18Å; I135-I140 HydrophobicContact CG2-CG1 3.63Å; E137-I140 PolarHBondContact O-N 2.89Å; D138-I140 VanDerWaalsContact C-N 3.32Å; D138-I140 PolarHBondContact O-N 2.88Å; I140-A142 VanDerWaalsContact C-N 3.31Å; I140-A142 PolarHBondContact O-N 3.33Å; I140-G143 PolarHBondContact O-N 2.95Å; I140-G143 VanDerWaalsContact O-N 3.13Å; I140-A144 PolarHBondContact O-N 3.25Å
141G88.1Confident85.3Confident51 Ų51104.3 Ų104.353%0.52656%0.557SS.*Hα-helixtrans-59.4-42.2177.200000112.1E137 D138 A144E137-G141 PolarHBondContact O-N 2.92Å; D138-G141 PolarHBondContact O-N 3.43Å; G141-A144 PolarHBondContact O-N 3.47Å
142A89.3Confident86.5Confident30 Ų30106.6 Ų106.625%0.24856%0.555CS.*Hα-helixtrans-64.1-38.9174.300000112.5Y50 D138 I140 L145Y50-A142 HydrophobicContact CD1-CB 4Å; Y50-A142 HydrophobicContact CE1-CB 3.39Å; D138-A142 WeakPolarHBondContact O-CB 3.3Å; D138-A142 PolarHBondContact O-N 2.91Å; I140-A142 VanDerWaalsContact C-N 3.31Å; I140-A142 PolarHBondContact O-N 3.33Å; A142-L145 WeakPolarHBondContact O-CB 3.25Å; A142-L145 PolarHBondContact O-N 3.49Å
143G90.1Very high88.1Confident34 Ų34102.8 Ų102.835%0.35153%0.526SS..Hα-helixtrans-67-35.4176.700000113.6P139 I140 L145 Y146P139-G143 PolarHBondContact O-N 3.38Å; I140-G143 PolarHBondContact O-N 2.95Å; I140-G143 VanDerWaalsContact O-N 3.13Å; G143-L145 PolarHBondContact O-N 3.43Å; G143-Y146 PolarHBondContact O-N 3.23Å; G143-Y146 VanDerWaalsContact O-N 3.1Å
144A92.4Very high89.4Confident35 Ų35104.2 Ų104.229%0.28952%0.522SS..Hα-helixtrans-60.4-16.7177.600000113.5I140 G141 Y146 D147 Y148 G149I140-A144 PolarHBondContact O-N 3.25Å; G141-A144 PolarHBondContact O-N 3.47Å; A144-Y146 PolarHBondContact O-N 3.11Å; A144-D147 PolarHBondContact O-N 3.25Å; A144-Y148 HydrophobicContact CB-CD2 4.12Å; A144-Y148 PolarHBondContact O-N 3.43Å; A144-G149 PolarHBondContact O-N 3.49Å
145L92.1Very high90.6Very high75 Ų7599.5 Ų99.539%0.39350%0.501SS..Hα-helixtrans-62.6-28.4175.3-164.1143.7000112.5A142 G143 G149 V153A142-L145 WeakPolarHBondContact O-CB 3.25Å; A142-L145 PolarHBondContact O-N 3.49Å; G143-L145 PolarHBondContact O-N 3.43Å; L145-G149 CarbonylContact O-C 3.07Å; L145-G149 WeakPolarHBondContact O-CA 3.44Å; L145-G149 PolarHBondContact O-N 2.65Å; L145-G149 VanDerWaalsContact O-N 3.16Å; L145-V153 HydrophobicContact CD2-CG2 3.3Å; L145-V153 HydrophobicContact CG-CG2 4.46Å
146Y92.1Very high91.3Very high171 Ų17197.4 Ų97.467%0.67149%0.493SS*.Hα-helixtrans-80.1-34.5178.4-67.8-71.9000113.3G143 A144 R150 V153G143-Y146 PolarHBondContact O-N 3.23Å; G143-Y146 VanDerWaalsContact O-N 3.1Å; A144-Y146 PolarHBondContact O-N 3.11Å; Y146-R150 WeakPolarHBondContact O-CG 3.21Å; Y146-V153 HydrophobicContact CD1-CG2 4.44Å
147D91.3Very high92Very high126 Ų12692.2 Ų92.267%0.67449%0.486SS*.Hα-helixtrans-86.8-56.4-177-66-13.4000111.3A144 R150A144-D147 PolarHBondContact O-N 3.25Å; D147-R150 WeakPolarHBondContact O-CG 3.13Å
148Y91.3Very high92.6Very high208 Ų20892.3 Ų92.382%0.81648%0.479SS*.THydrogen-bonded Turntrans-87.6-37.3-178.5-63.2-77.7000111.9A144 R150A144-Y148 HydrophobicContact CB-CD2 4.12Å; A144-Y148 PolarHBondContact O-N 3.43Å; Y148-R150 VanDerWaalsContact C-N 3.25Å; Y148-R150 PolarHBondContact O-N 2.85Å; Y148-R150 VanDerWaalsContact O-N 3.15Å
149G92.9Very high93.3Very high13 Ų1394.4 Ų94.413%0.13449%0.494CS..  trans-8324.5-17300000115.5A144 L145 W151 L152 V153A144-G149 PolarHBondContact O-N 3.49Å; L145-G149 CarbonylContact O-C 3.07Å; L145-G149 WeakPolarHBondContact O-CA 3.44Å; L145-G149 PolarHBondContact O-N 2.65Å; L145-G149 VanDerWaalsContact O-N 3.16Å; G149-W151 VanDerWaalsContact C-N 3.27Å; G149-W151 PolarHBondContact O-N 3.41Å; G149-W151 VanDerWaalsContact O-N 3.15Å; G149-L152 WeakPolarHBondContact O-CA 3.39Å; G149-L152 WeakPolarHBondContact O-CB 3.35Å; G149-L152 PolarHBondContact O-N 3.4Å; G149-V153 PolarHBondContact O-N 2.93Å
150R93.6Very high93.7Very high184 Ų18497.5 Ų97.569%0.69451%0.506SS*.Hα-helixtrans-52.7-42.1-173.9-63.7177.569-176.22.3113.4Y146 D147 Y148 V153 V154Y146-R150 WeakPolarHBondContact O-CG 3.21Å; D147-R150 WeakPolarHBondContact O-CG 3.13Å; Y148-R150 VanDerWaalsContact C-N 3.25Å; Y148-R150 PolarHBondContact O-N 2.85Å; Y148-R150 VanDerWaalsContact O-N 3.15Å; R150-V153 PolarHBondContact O-N 3.15Å; R150-V154 WeakPolarHBondContact O-CG2 3.28Å; R150-V154 PolarHBondContact O-N 2.9Å
151W95.1Very high94Very high210 Ų21098.3 Ų98.380%0.79551%0.506SS*.Hα-helixtrans-67-38.3176.6-80.3109.4000112.9G149 V153 V154 V155G149-W151 VanDerWaalsContact C-N 3.27Å; G149-W151 PolarHBondContact O-N 3.41Å; G149-W151 VanDerWaalsContact O-N 3.15Å; W151-V153 VanDerWaalsContact C-N 3.33Å; W151-V154 PolarHBondContact O-N 3.32Å; W151-V155 WeakPolarHBondContact O-CG2 3.4Å; W151-V155 PolarHBondContact O-N 2.95Å
152L95Very high94.5Very high111 Ų11198.1 Ų98.158%0.58150%0.495SS*.Hα-helixtrans-62.8-42174.4-76.1169.8000110.7G149 V154 V155 T156G149-L152 WeakPolarHBondContact O-CA 3.39Å; G149-L152 WeakPolarHBondContact O-CB 3.35Å; G149-L152 PolarHBondContact O-N 3.4Å; L152-V154 PolarHBondContact O-N 2.86Å; L152-V155 PolarHBondContact O-N 3.09Å; L152-T156 WeakPolarHBondContact O-CB 3.28Å; L152-T156 WeakPolarHBondContact O-CG2 3.39Å; L152-T156 PolarHBondContact O-N 3.38Å; L152-T156 PolarHBondContact O-OG1 2.74Å
153V95.8Very high94.9Very high51 Ų5198 Ų9831%0.30950%0.497SS..Hα-helixtrans-59.6-45.21751780000111.7L145 Y146 G149 R150 W151 V155 T156 G157L145-V153 HydrophobicContact CD2-CG2 3.3Å; L145-V153 HydrophobicContact CG-CG2 4.46Å; Y146-V153 HydrophobicContact CD1-CG2 4.44Å; G149-V153 PolarHBondContact O-N 2.93Å; R150-V153 PolarHBondContact O-N 3.15Å; W151-V153 VanDerWaalsContact C-N 3.33Å; V153-V155 PolarHBondContact O-N 2.95Å; V153-T156 PolarHBondContact O-OG1 3.07Å; V153-G157 PolarHBondContact O-N 3.44Å
154V96.9Very high95.2Very high90 Ų90100.5 Ų100.555%0.54551%0.505SS..Hα-helixtrans-62.2-45.3179.2172.30000110.6R150 W151 L152 W158R150-V154 WeakPolarHBondContact O-CG2 3.28Å; R150-V154 PolarHBondContact O-N 2.9Å; W151-V154 PolarHBondContact O-N 3.32Å; L152-V154 PolarHBondContact O-N 2.86Å; V154-W158 VanDerWaalsContact O-CB 3.23Å; V154-W158 WeakPolarHBondContact O-CB 3.25Å; V154-W158 PolarHBondContact O-N 2.78Å
155V97.6Very high95.3Very high84 Ų84104.7 Ų104.751%0.50951%0.514SS..Hα-helixtrans-68.1-46.6-179.2175.60000111.3W151 L152 V153 W158 T159W151-V155 WeakPolarHBondContact O-CG2 3.4Å; W151-V155 PolarHBondContact O-N 2.95Å; L152-V155 PolarHBondContact O-N 3.09Å; V153-V155 PolarHBondContact O-N 2.95Å; V155-W158 PolarHBondContact O-N 2.81Å; V155-T159 HydrophobicContact CG1-CG2 4.41Å; V155-T159 WeakPolarHBondContact O-CG2 3.4Å; V155-T159 PolarHBondContact O-N 3.35Å; V155-T159 PolarHBondContact O-OG1 3.32Å
156T95.6Very high95.6Very high71 Ų71105.2 Ų105.244%0.43652%0.516SS..Hα-helixtrans-67.4-37.7179.856.30000112.4L152 V153 W158 T159 L160L152-T156 WeakPolarHBondContact O-CB 3.28Å; L152-T156 WeakPolarHBondContact O-CG2 3.39Å; L152-T156 PolarHBondContact O-N 3.38Å; L152-T156 PolarHBondContact O-OG1 2.74Å; V153-T156 PolarHBondContact O-OG1 3.07Å; T156-W158 VanDerWaalsContact C-N 3.35Å; T156-T159 WeakPolarHBondContact CA-OG1 3.12Å; T156-T159 PolarHBondContact O-OG1 3.08Å; T156-L160 WeakPolarHBondContact O-CG 3.49Å; T156-L160 PolarHBondContact O-N 3.44Å; T156-L160 VanDerWaalsContact O-N 3.15Å
157G96.7Very high95.7Very high39 Ų39101.6 Ų101.640%0.40251%0.512SS..Hα-helixtrans-63.1-42.5172.600000111.7V153 F161V153-G157 PolarHBondContact O-N 3.44Å; G157-F161 WeakPolarHBondContact O-CB 3.45Å; G157-F161 PolarHBondContact O-N 3.14Å
158W97.6Very high96Very high168 Ų168100.3 Ų100.364%0.63650%0.504SS*.Hα-helixtrans-66.7-42.5178-171.4-98.8000112.7V154 V155 T156 L160 F161 V162V154-W158 VanDerWaalsContact O-CB 3.23Å; V154-W158 WeakPolarHBondContact O-CB 3.25Å; V154-W158 PolarHBondContact O-N 2.78Å; V155-W158 PolarHBondContact O-N 2.81Å; T156-W158 VanDerWaalsContact C-N 3.35Å; W158-L160 PolarHBondContact O-N 2.61Å; W158-F161 HydrophobicContact CE3-CD1 4.45Å; W158-F161 HydrophobicContact CZ3-CD1 4.36Å; W158-F161 PolarHBondContact O-N 3.11Å; W158-V162 HydrophobicContact CD2-CG2 4.33Å; W158-V162 HydrophobicContact CG-CG2 4.44Å; W158-V162 HydrophobicContact CZ2-CG2 4.22Å; W158-V162 WeakPolarHBondContact O-CG2 3.44Å; W158-V162 PolarHBondContact O-N 3.27Å
159T97.7Very high96.2Very high80 Ų8097.3 Ų97.349%0.49150%0.497SS..Hα-helixtrans-65-39.9178.755.60000112V155 T156 G163V155-T159 HydrophobicContact CG1-CG2 4.41Å; V155-T159 WeakPolarHBondContact O-CG2 3.4Å; V155-T159 PolarHBondContact O-N 3.35Å; V155-T159 PolarHBondContact O-OG1 3.32Å; T156-T159 WeakPolarHBondContact CA-OG1 3.12Å; T156-T159 PolarHBondContact O-OG1 3.08Å; T159-G163 WeakPolarHBondContact O-CA 3.3Å; T159-G163 PolarHBondContact O-N 2.93Å
160L96Very high96.3Very high129 Ų129102.5 Ų102.568%0.67552%0.521SS*.Hα-helixtrans-66.4-42.1174.2-69.7175.6000111.7T156 W158 G163 V164T156-L160 WeakPolarHBondContact O-CG 3.49Å; T156-L160 PolarHBondContact O-N 3.44Å; T156-L160 VanDerWaalsContact O-N 3.15Å; W158-L160 PolarHBondContact O-N 2.61Å; L160-G163 PolarHBondContact O-N 3.39Å; L160-V164 PolarHBondContact O-N 3.47Å; L160-V164 VanDerWaalsContact O-N 3.13Å
161F97.6Very high96.2Very high104 Ų10496.8 Ų96.846%0.45651%0.513SS..Hα-helixtrans-60.2-50.8177.3179.1-107.5000111.9G157 W158 G163 V164 Y165G157-F161 WeakPolarHBondContact O-CB 3.45Å; G157-F161 PolarHBondContact O-N 3.14Å; W158-F161 HydrophobicContact CE3-CD1 4.45Å; W158-F161 HydrophobicContact CZ3-CD1 4.36Å; W158-F161 PolarHBondContact O-N 3.11Å; F161-G163 VanDerWaalsContact C-N 3.3Å; F161-G163 PolarHBondContact O-N 3.48Å; F161-V164 PolarHBondContact O-N 3.47Å; F161-Y165 HydrophobicContact CD1-CD2 4.47Å; F161-Y165 HydrophobicContact CD1-CE2 4.02Å; F161-Y165 HydrophobicContact CD2-CE2 4.17Å; F161-Y165 HydrophobicContact CE1-CD2 4.31Å; F161-Y165 AromaticContact CE1-CE2 3.54Å; F161-Y165 HydrophobicContact CE1-CE2 3.54Å; F161-Y165 AromaticContact CE2-CE2 3.69Å; F161-Y165 HydrophobicContact CE2-CE2 3.69Å; F161-Y165 HydrophobicContact CG-CE2 4.33Å; F161-Y165 HydrophobicContact CZ-CD2 4.5Å; F161-Y165 AromaticContact CZ-CE2 3.38Å; F161-Y165 HydrophobicContact CZ-CE2 3.38Å; F161-Y165 AromaticContact CZ-CZ 3.9Å; F161-Y165 VanDerWaalsContact O-CD2 3.28Å; F161-Y165 WeakPolarHBondContact O-CD2 3.37Å
162V97.8Very high96.1Very high48 Ų4897 Ų9729%0.29151%0.513SS..Hα-helixtrans-65.9-35.9176.61780000111W158 V164 Y165 I166W158-V162 HydrophobicContact CD2-CG2 4.33Å; W158-V162 HydrophobicContact CG-CG2 4.44Å; W158-V162 HydrophobicContact CZ2-CG2 4.22Å; W158-V162 WeakPolarHBondContact O-CG2 3.44Å; W158-V162 PolarHBondContact O-N 3.27Å; V162-V164 VanDerWaalsContact C-N 3.26Å; V162-V164 PolarHBondContact O-N 3.28Å; V162-Y165 PolarHBondContact O-N 2.83Å; V162-Y165 VanDerWaalsContact O-N 3.07Å; V162-I166 HydrophobicContact CG1-CD1 3.8Å; V162-I166 HydrophobicContact CG1-CG1 4.14Å; V162-I166 WeakPolarHBondContact O-CG1 3.46Å; V162-I166 PolarHBondContact O-N 3.15Å
163G96.9Very high95.5Very high27 Ų2795 Ų9528%0.27852%0.519SS..Hα-helixtrans-55.3-39175.500000113.2T159 L160 F161 I166 V167T159-G163 WeakPolarHBondContact O-CA 3.3Å; T159-G163 PolarHBondContact O-N 2.93Å; L160-G163 PolarHBondContact O-N 3.39Å; F161-G163 VanDerWaalsContact C-N 3.3Å; F161-G163 PolarHBondContact O-N 3.48Å; G163-I166 PolarHBondContact O-N 2.77Å; G163-V167 VanDerWaalsContact O-CG2 3.31Å; G163-V167 WeakPolarHBondContact O-CG2 3.29Å; G163-V167 PolarHBondContact O-N 3.11Å
164V96.5Very high93.8Very high86 Ų86102.7 Ų102.752%0.52156%0.558SS.*Hα-helixtrans-61.6-46.7174.5173.80000111.5L160 F161 V162 I166 V167 I168L160-V164 PolarHBondContact O-N 3.47Å; L160-V164 VanDerWaalsContact O-N 3.13Å; F161-V164 PolarHBondContact O-N 3.47Å; V162-V164 VanDerWaalsContact C-N 3.26Å; V162-V164 PolarHBondContact O-N 3.28Å; V164-I166 PolarHBondContact O-N 3.46Å; V164-V167 PolarHBondContact O-N 2.71Å; V164-I168 HydrophobicContact CG1-CD1 3.8Å; V164-I168 VanDerWaalsContact O-CG1 3.3Å; V164-I168 WeakPolarHBondContact O-CG1 3.43Å; V164-I168 PolarHBondContact O-N 3.35Å
165Y96.1Very high93.6Very high123 Ų123103.3 Ų103.348%0.48256%0.559SS.*Hα-helixtrans-63.3-42.8177.6-70.3-76.1000112.2F161 V162 V167 I168 E169F161-Y165 HydrophobicContact CD1-CD2 4.47Å; F161-Y165 HydrophobicContact CD1-CE2 4.02Å; F161-Y165 HydrophobicContact CD2-CE2 4.17Å; F161-Y165 HydrophobicContact CE1-CD2 4.31Å; F161-Y165 AromaticContact CE1-CE2 3.54Å; F161-Y165 HydrophobicContact CE1-CE2 3.54Å; F161-Y165 AromaticContact CE2-CE2 3.69Å; F161-Y165 HydrophobicContact CE2-CE2 3.69Å; F161-Y165 HydrophobicContact CG-CE2 4.33Å; F161-Y165 HydrophobicContact CZ-CD2 4.5Å; F161-Y165 AromaticContact CZ-CE2 3.38Å; F161-Y165 HydrophobicContact CZ-CE2 3.38Å; F161-Y165 AromaticContact CZ-CZ 3.9Å; F161-Y165 VanDerWaalsContact O-CD2 3.28Å; F161-Y165 WeakPolarHBondContact O-CD2 3.37Å; V162-Y165 PolarHBondContact O-N 2.83Å; V162-Y165 VanDerWaalsContact O-N 3.07Å; Y165-V167 VanDerWaalsContact C-N 3.34Å; Y165-V167 PolarHBondContact O-N 3.35Å; Y165-I168 PolarHBondContact O-N 2.71Å; Y165-E169 PolarHBondContact O-N 3.12Å
166I97.1Very high93.4Very high86 Ų86104.3 Ų104.344%0.44156%0.561SS.*Hα-helixtrans-57.3-49.5177.1-68.4168.5000110.2V162 G163 V164 I168 E169 I170V162-I166 HydrophobicContact CG1-CD1 3.8Å; V162-I166 HydrophobicContact CG1-CG1 4.14Å; V162-I166 WeakPolarHBondContact O-CG1 3.46Å; V162-I166 PolarHBondContact O-N 3.15Å; G163-I166 PolarHBondContact O-N 2.77Å; V164-I166 PolarHBondContact O-N 3.46Å; I166-I168 VanDerWaalsContact C-N 3.33Å; I166-I168 PolarHBondContact O-N 2.94Å; I166-E169 PolarHBondContact O-N 2.93Å; I166-I170 HydrophobicContact CG2-CD1 3.58Å; I166-I170 HydrophobicContact CG2-CG1 4.37Å; I166-I170 WeakPolarHBondContact O-CB 3.22Å; I166-I170 VanDerWaalsContact O-CG1 3.23Å; I166-I170 WeakPolarHBondContact O-CG1 3.21Å; I166-I170 PolarHBondContact O-N 3.35Å
167V95.4Very high93.3Very high96 Ų96106.2 Ų106.258%0.58257%0.568SS**Hα-helixtrans-62.9-39.8-179.6173.50000111.3G163 V164 Y165 A171G163-V167 VanDerWaalsContact O-CG2 3.31Å; G163-V167 WeakPolarHBondContact O-CG2 3.29Å; G163-V167 PolarHBondContact O-N 3.11Å; V164-V167 PolarHBondContact O-N 2.71Å; Y165-V167 VanDerWaalsContact C-N 3.34Å; Y165-V167 PolarHBondContact O-N 3.35Å; V167-A171 WeakPolarHBondContact O-CB 3.3Å; V167-A171 PolarHBondContact O-N 2.77Å
168I95.8Very high93.1Very high98 Ų98110.1 Ų110.150%0.50358%0.578SS.*Hα-helixtrans-65.1-46.2176.9-68.8168000111.4V164 Y165 I166 A171 R172V164-I168 HydrophobicContact CG1-CD1 3.8Å; V164-I168 VanDerWaalsContact O-CG1 3.3Å; V164-I168 WeakPolarHBondContact O-CG1 3.43Å; V164-I168 PolarHBondContact O-N 3.35Å; Y165-I168 PolarHBondContact O-N 2.71Å; I166-I168 VanDerWaalsContact C-N 3.33Å; I166-I168 PolarHBondContact O-N 2.94Å; I168-A171 PolarHBondContact O-N 2.87Å; I168-R172 WeakPolarHBondContact O-CB 3.46Å; I168-R172 PolarHBondContact O-N 2.83Å
169E95.8Very high92.8Very high145 Ų145106.5 Ų106.568%0.67858%0.575SS**Hα-helixtrans-65-39.5-179.9-74.8-173170.800112Y165 I166Y165-E169 PolarHBondContact O-N 3.12Å; I166-E169 PolarHBondContact O-N 2.93Å
170I95Very high92.5Very high123 Ų123108.3 Ų108.363%0.63158%0.58SS**Hα-helixtrans-64.9-48.3174.7-67.1169.5000110.4I166 R172 G173I166-I170 HydrophobicContact CG2-CD1 3.58Å; I166-I170 HydrophobicContact CG2-CG1 4.37Å; I166-I170 WeakPolarHBondContact O-CB 3.22Å; I166-I170 VanDerWaalsContact O-CG1 3.23Å; I166-I170 WeakPolarHBondContact O-CG1 3.21Å; I166-I170 PolarHBondContact O-N 3.35Å; I170-R172 VanDerWaalsContact C-N 3.3Å; I170-R172 PolarHBondContact O-N 3.37Å; I170-G173 PolarHBondContact O-N 2.91Å
171A92.4Very high92.3Very high63 Ų63106.8 Ų106.852%0.52157%0.573SS.*Hα-helixtrans-70.1-24.1-17700000113.5V167 I168 G173V167-A171 WeakPolarHBondContact O-CB 3.3Å; V167-A171 PolarHBondContact O-N 2.77Å; I168-A171 PolarHBondContact O-N 2.87Å; A171-G173 PolarHBondContact O-N 3.33Å
172R92.3Very high91.9Very high216 Ų216107 Ų10782%0.81558%0.582SS**THydrogen-bonded Turntrans-72.7-16.8175.6-158.7-178.799.1-177.85.2113.2I168 I170 N174I168-R172 WeakPolarHBondContact O-CB 3.46Å; I168-R172 PolarHBondContact O-N 2.83Å; I170-R172 VanDerWaalsContact C-N 3.3Å; I170-R172 PolarHBondContact O-N 3.37Å; R172-N174 VanDerWaalsContact C-N 3.28Å
173G83.1Confident91.4Very high67 Ų67111.9 Ų111.969%0.69161%0.607SS**THydrogen-bonded Turntrans-79.4-6.9177.900000114.6I170 A171I170-G173 PolarHBondContact O-N 2.91Å; A171-G173 PolarHBondContact O-N 3.33Å
174N59.9Low90.9Very high213 Ų213119.6 Ų119.6100%1.13964%0.637SS**  trans-88.40170.7-88.43.1000112.2R172R172-N174 VanDerWaalsContact C-N 3.28Å

Retrieved 174 of 174 residues in 110.5 ms (Link to these results)

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