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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 A0A059RG71, 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
1M51.7Low78.3Confident230 Ų23084.5 Ų84.5100%1.13345%0.445SS*.  088.60-73.5-57.7178.100107.4
2M57.6Low79.3Confident103 Ų10380.7 Ų80.751%0.50743%0.425SS..  trans-149.37-151.6-147.9-173.3-77.800115.9
3Y70.7Confident80.2Confident122 Ų12279.5 Ų79.548%0.47842%0.422SS..  trans-136.615.6-178.5-63.7-76.4000113.1L5 F6 L7Y3-L5 PolarHBondContact O-N 3.43Å; Y3-F6 HydrophobicContact CD1-CB 4.49Å; Y3-F6 HydrophobicContact CD1-CD1 4.45Å; Y3-F6 PolarHBondContact O-N 3.48Å; Y3-L7 WeakPolarHBondContact O-CB 3.22Å; Y3-L7 VanDerWaalsContact O-CG 3.29Å; Y3-L7 WeakPolarHBondContact O-CG 3.23Å; Y3-L7 PolarHBondContact O-N 2.89Å
4V80.4Confident80.8Confident85 Ų8579.9 Ų79.952%0.51542%0.422SS..Hα-helixtrans-61.8-48.7-173.4179.80000111.2F6 L7 L8V4-F6 VanDerWaalsContact C-N 3.34Å; V4-F6 PolarHBondContact O-N 3.25Å; V4-L7 PolarHBondContact O-N 2.93Å; V4-L8 HydrophobicContact CG1-CD1 3.98Å; V4-L8 WeakPolarHBondContact O-CB 3.37Å; V4-L8 VanDerWaalsContact O-CG 3.26Å; V4-L8 WeakPolarHBondContact O-CG 3.21Å; V4-L8 PolarHBondContact O-N 3.44Å
5L82.3Confident81.4Confident30 Ų3075.3 Ų75.316%0.15740%0.401CS..Hα-helixtrans-63.8-39.7176.8-72.8176000112.4Y3 L8 S9 I42 N45 F46 M125Y3-L5 PolarHBondContact O-N 3.43Å; L5-L8 PolarHBondContact O-N 3.38Å; L5-S9 WeakPolarHBondContact O-CB 3.47Å; L5-S9 PolarHBondContact O-N 3.08Å; L5-S9 PolarHBondContact O-OG 2.98Å; L5-I42 HydrophobicContact CD2-CG2 4.47Å; L5-N45 HydrophobicContact CD2-CB 3.57Å; L5-F46 HydrophobicContact CD1-CE1 3.83Å; L5-F46 HydrophobicContact CD1-CE2 4.39Å; L5-F46 HydrophobicContact CD1-CZ 3.71Å; L5-F46 HydrophobicContact CD2-CE2 4.31Å; L5-F46 HydrophobicContact CD2-CZ 4.41Å; L5-M125 HydrophobicContact CB-SD 3.82Å; L5-M125 HydrophobicContact CD1-CB 4.12Å; L5-M125 HydrophobicContact CD1-SD 3.9Å
6F82.6Confident81.9Confident80 Ų8076.4 Ų76.435%0.35140%0.402SS..Hα-helixtrans-62.7-47.6175.9179.1-102.3000111.5Y3 V4 L8 S9 V10 V103Y3-F6 HydrophobicContact CD1-CB 4.49Å; Y3-F6 HydrophobicContact CD1-CD1 4.45Å; Y3-F6 PolarHBondContact O-N 3.48Å; V4-F6 VanDerWaalsContact C-N 3.34Å; V4-F6 PolarHBondContact O-N 3.25Å; F6-L8 VanDerWaalsContact C-N 3.34Å; F6-L8 PolarHBondContact O-N 2.91Å; F6-S9 WeakPolarHBondContact CA-OG 3.26Å; F6-S9 PolarHBondContact O-N 3.29Å; F6-S9 PolarHBondContact O-OG 3.4Å; F6-V10 HydrophobicContact CD1-CG2 4.47Å; F6-V10 HydrophobicContact CE1-CG2 4.09Å; F6-V10 HydrophobicContact CE2-CG2 4.48Å; F6-V10 HydrophobicContact CZ-CG2 4.1Å; F6-V10 WeakPolarHBondContact O-CG2 3.32Å; F6-V10 PolarHBondContact O-N 3.22Å; F6-V103 HydrophobicContact CZ-CG1 4.05Å; F6-V103 HydrophobicContact CZ-CG2 4.04Å
7L85.6Confident82.3Confident115 Ų11573.3 Ų73.360%0.60239%0.386SS*.Hα-helixtrans-63.3-38.9176.3-70.3173.7000112.2Y3 V4 V10 G11Y3-L7 WeakPolarHBondContact O-CB 3.22Å; Y3-L7 VanDerWaalsContact O-CG 3.29Å; Y3-L7 WeakPolarHBondContact O-CG 3.23Å; Y3-L7 PolarHBondContact O-N 2.89Å; V4-L7 PolarHBondContact O-N 2.93Å; L7-V10 PolarHBondContact O-N 3.04Å; L7-G11 PolarHBondContact O-N 3.43Å
8L87.1Confident82.5Confident39 Ų3969.5 Ų69.520%0.20437%0.368CS..Hα-helixtrans-64.3-41173.6-73.1167.5000111.5V4 L5 F6 G11 L12 V38 V41 I42V4-L8 HydrophobicContact CG1-CD1 3.98Å; V4-L8 WeakPolarHBondContact O-CB 3.37Å; V4-L8 VanDerWaalsContact O-CG 3.26Å; V4-L8 WeakPolarHBondContact O-CG 3.21Å; V4-L8 PolarHBondContact O-N 3.44Å; L5-L8 PolarHBondContact O-N 3.38Å; F6-L8 VanDerWaalsContact C-N 3.34Å; F6-L8 PolarHBondContact O-N 2.91Å; L8-G11 PolarHBondContact O-N 3.37Å; L8-L12 PolarHBondContact O-N 3.01Å; L8-V38 HydrophobicContact CB-CG1 4.34Å; L8-V38 HydrophobicContact CD2-CG1 4.11Å; L8-V38 VanDerWaalsContact O-CG1 3.27Å; L8-V38 WeakPolarHBondContact O-CG1 3.36Å; L8-V41 HydrophobicContact CD1-CG1 3.86Å; L8-V41 HydrophobicContact CD2-CG1 4.26Å; L8-I42 HydrophobicContact CB-CD1 4.1Å; L8-I42 HydrophobicContact CB-CG1 3.71Å; L8-I42 HydrophobicContact CD1-CG1 4.38Å
9S85.4Confident82.7Confident49 Ų4969.8 Ų69.834%0.34337%0.366SS..Hα-helixtrans-64.1-41.4175.767.60000111.9L5 F6 G11 L12 V13L5-S9 WeakPolarHBondContact O-CB 3.47Å; L5-S9 PolarHBondContact O-N 3.08Å; L5-S9 PolarHBondContact O-OG 2.98Å; F6-S9 WeakPolarHBondContact CA-OG 3.26Å; F6-S9 PolarHBondContact O-N 3.29Å; F6-S9 PolarHBondContact O-OG 3.4Å; S9-G11 VanDerWaalsContact C-N 3.33Å; S9-G11 PolarHBondContact O-N 2.95Å; S9-L12 WeakPolarHBondContact O-CB 3.48Å; S9-L12 PolarHBondContact O-N 3.42Å; S9-L12 VanDerWaalsContact O-N 3.12Å; S9-V13 WeakPolarHBondContact O-CG2 3.37Å; S9-V13 PolarHBondContact O-N 3.36Å
10V88.3Confident83Confident44 Ų4469.9 Ų69.927%0.26737%0.373SS..Hα-helixtrans-61.1-44.4172.5173.20000110.2F6 L7 L12 V13 M14F6-V10 HydrophobicContact CD1-CG2 4.47Å; F6-V10 HydrophobicContact CE1-CG2 4.09Å; F6-V10 HydrophobicContact CE2-CG2 4.48Å; F6-V10 HydrophobicContact CZ-CG2 4.1Å; F6-V10 WeakPolarHBondContact O-CG2 3.32Å; F6-V10 PolarHBondContact O-N 3.22Å; L7-V10 PolarHBondContact O-N 3.04Å; V10-L12 PolarHBondContact O-N 3.06Å; V10-V13 PolarHBondContact O-N 3.36Å; V10-V13 VanDerWaalsContact O-N 3.14Å; V10-M14 HydrophobicContact CG1-CG 4.41Å; V10-M14 VanDerWaalsContact O-CG 3.29Å; V10-M14 WeakPolarHBondContact O-CG 3.4Å; V10-M14 PolarHBondContact O-N 3.42Å
11G89.4Confident83Confident33 Ų3366.9 Ų66.934%0.3436%0.357SS..Hα-helixtrans-59.3-32.5174.400000113.9L7 L8 S9 G15L7-G11 PolarHBondContact O-N 3.43Å; L8-G11 PolarHBondContact O-N 3.37Å; S9-G11 VanDerWaalsContact C-N 3.33Å; S9-G11 PolarHBondContact O-N 2.95Å; G11-G15 PolarHBondContact O-N 3.42Å; G11-G15 VanDerWaalsContact O-N 3.12Å
12L91Very high84.5Confident38 Ų3863.8 Ų63.820%0.19934%0.337CS..Hα-helixtrans-70-44174.3-173.7156.6000111.4L8 S9 V10 M14 G15 F16 V38 I42L8-L12 PolarHBondContact O-N 3.01Å; S9-L12 WeakPolarHBondContact O-CB 3.48Å; S9-L12 PolarHBondContact O-N 3.42Å; S9-L12 VanDerWaalsContact O-N 3.12Å; V10-L12 PolarHBondContact O-N 3.06Å; L12-M14 VanDerWaalsContact C-N 3.33Å; L12-M14 PolarHBondContact O-N 3.02Å; L12-G15 PolarHBondContact O-N 3.31Å; L12-F16 HydrophobicContact CD2-CD1 4.49Å; L12-F16 HydrophobicContact CD2-CD2 3.63Å; L12-F16 HydrophobicContact CD2-CE1 4.16Å; L12-F16 HydrophobicContact CD2-CE2 3.21Å; L12-F16 HydrophobicContact CD2-CG 4.28Å; L12-F16 HydrophobicContact CD2-CZ 3.52Å; L12-F16 HydrophobicContact CG-CE2 4.38Å; L12-F16 HydrophobicContact CG-CZ 4.27Å; L12-F16 PolarHBondContact O-N 3.18Å; L12-V38 HydrophobicContact CB-CG1 4.17Å; L12-I42 HydrophobicContact CB-CD1 4.34Å; L12-I42 HydrophobicContact CD1-CD1 3.82Å
13V90.4Very high85.4Confident65 Ų6559.3 Ų59.339%0.39432%0.316SS..Hα-helixtrans-62.8-42175.4-166.80000110.7S9 V10 G15 F16 V17 E99S9-V13 WeakPolarHBondContact O-CG2 3.37Å; S9-V13 PolarHBondContact O-N 3.36Å; V10-V13 PolarHBondContact O-N 3.36Å; V10-V13 VanDerWaalsContact O-N 3.14Å; V13-G15 VanDerWaalsContact C-N 3.26Å; V13-G15 PolarHBondContact O-N 3.41Å; V13-F16 CarbonylContact O-C 3.35Å; V13-F16 WeakPolarHBondContact O-CA 3.48Å; V13-F16 WeakPolarHBondContact O-CB 3.37Å; V13-F16 PolarHBondContact O-N 3.26Å; V13-V17 HydrophobicContact CG1-CG2 4.46Å; V13-V17 WeakPolarHBondContact O-CG2 3.34Å; V13-V17 PolarHBondContact O-N 3.29Å; V13-E99 HydrophobicContact CB-CG 4.32Å; V13-E99 WeakPolarHBondContact CB-OE1 3.32Å; V13-E99 HydrophobicContact CG1-CG 3.74Å; V13-E99 WeakPolarHBondContact CG1-OE1 3.35Å
14M88.6Confident86.1Confident86 Ų8654.2 Ų54.242%0.42430%0.298SS..Hα-helixtrans-55.9-41.4174-72.9-72-57.900112.1V10 L12 F16 G18 L96 E99V10-M14 HydrophobicContact CG1-CG 4.41Å; V10-M14 VanDerWaalsContact O-CG 3.29Å; V10-M14 WeakPolarHBondContact O-CG 3.4Å; V10-M14 PolarHBondContact O-N 3.42Å; L12-M14 VanDerWaalsContact C-N 3.33Å; L12-M14 PolarHBondContact O-N 3.02Å; M14-F16 VanDerWaalsContact C-N 3.34Å; M14-G18 PolarHBondContact O-N 2.84Å; M14-L96 HydrophobicContact CE-CD2 3.52Å; M14-L96 HydrophobicContact SD-CD2 3.21Å; M14-L96 WeakPolarHBondContact SD-CD2 3.21Å; M14-E99 WeakPolarHBondContact CA-OE1 3.25Å; M14-E99 WeakPolarHBondContact CG-OE2 3.38Å; M14-E99 PolarHBondContact N-OE1 3.33Å; M14-E99 VanDerWaalsContact N-OE1 3.14Å
15G90.1Very high86.4Confident10 Ų1053.6 Ų53.610%0.10330%0.296CS..Hα-helixtrans-63.4-39.4172.600000112.3G11 L12 V13 G18 F19 V31G11-G15 PolarHBondContact O-N 3.42Å; G11-G15 VanDerWaalsContact O-N 3.12Å; L12-G15 PolarHBondContact O-N 3.31Å; V13-G15 VanDerWaalsContact C-N 3.26Å; V13-G15 PolarHBondContact O-N 3.41Å; G15-G18 PolarHBondContact O-N 3.46Å; G15-F19 PolarHBondContact O-N 3.25Å; G15-F19 VanDerWaalsContact O-N 3.15Å; G15-V31 WeakPolarHBondContact O-CG1 3.45Å
16F88.6Confident86.5Confident94 Ų9455.7 Ų55.741%0.41231%0.306SS..Hα-helixtrans-68.6-40177.5-68.7-9.9000113.6L12 V13 M14 G18 F19 S20L12-F16 HydrophobicContact CD2-CD1 4.49Å; L12-F16 HydrophobicContact CD2-CD2 3.63Å; L12-F16 HydrophobicContact CD2-CE1 4.16Å; L12-F16 HydrophobicContact CD2-CE2 3.21Å; L12-F16 HydrophobicContact CD2-CG 4.28Å; L12-F16 HydrophobicContact CD2-CZ 3.52Å; L12-F16 HydrophobicContact CG-CE2 4.38Å; L12-F16 HydrophobicContact CG-CZ 4.27Å; L12-F16 PolarHBondContact O-N 3.18Å; V13-F16 CarbonylContact O-C 3.35Å; V13-F16 WeakPolarHBondContact O-CA 3.48Å; V13-F16 WeakPolarHBondContact O-CB 3.37Å; V13-F16 PolarHBondContact O-N 3.26Å; M14-F16 VanDerWaalsContact C-N 3.34Å; F16-G18 VanDerWaalsContact C-N 3.26Å; F16-G18 PolarHBondContact O-N 3.15Å; F16-F19 HydrophobicContact CB-CD1 4.37Å; F16-F19 HydrophobicContact CB-CE1 3.85Å; F16-F19 HydrophobicContact CD1-CD1 4.01Å; F16-F19 AromaticContact CD1-CE1 3.47Å; F16-F19 HydrophobicContact CD1-CE1 3.47Å; F16-F19 VanDerWaalsContact CD1-CE1 3.47Å; F16-F19 HydrophobicContact CE1-CE1 4.25Å; F16-F19 AromaticContact CG-CE1 3.88Å; F16-F19 HydrophobicContact CG-CE1 3.88Å; F16-F19 WeakPolarHBondContact O-CD1 3.49Å; F16-F19 PolarHBondContact O-N 2.92Å; F16-S20 WeakPolarHBondContact O-CB 3.44Å; F16-S20 PolarHBondContact O-N 3.48Å
17V90.1Very high86.7Confident23 Ų2355.9 Ų55.914%0.13931%0.305CS..Hα-helixtrans-59.2-42.2170.3174.70000110.3V13 F19 S20 S21 E99V13-V17 HydrophobicContact CG1-CG2 4.46Å; V13-V17 WeakPolarHBondContact O-CG2 3.34Å; V13-V17 PolarHBondContact O-N 3.29Å; V17-F19 PolarHBondContact O-N 3.32Å; V17-S20 PolarHBondContact O-N 3.33Å; V17-S21 PolarHBondContact O-N 3Å; V17-S21 VanDerWaalsContact O-N 3.14Å; V17-S21 PolarHBondContact O-OG 3.07Å; V17-E99 VanDerWaalsContact CG2-OE1 3.31Å; V17-E99 WeakPolarHBondContact CG2-OE1 3.48Å
18G85.6Confident86.8Confident5 Ų550.8 Ų50.85%0.05228%0.281CS..Hα-helixtrans-63-39.5-178.700000114.9M14 G15 F16 S21 P23M14-G18 PolarHBondContact O-N 2.84Å; G15-G18 PolarHBondContact O-N 3.46Å; F16-G18 VanDerWaalsContact C-N 3.26Å; F16-G18 PolarHBondContact O-N 3.15Å; G18-S21 PolarHBondContact O-OG 2.89Å; G18-P23 WeakPolarHBondContact O-CD 3.34Å; G18-P23 WeakPolarHBondContact O-CG 3.09Å
19F86.3Confident86.9Confident76 Ų7649.4 Ų49.433%0.33328%0.275SS..Hα-helixtrans-86.1-31.2175.789.2-96.7000112.3G15 F16 V17 S21 K22 P23 V31 L32G15-F19 PolarHBondContact O-N 3.25Å; G15-F19 VanDerWaalsContact O-N 3.15Å; F16-F19 HydrophobicContact CB-CD1 4.37Å; F16-F19 HydrophobicContact CB-CE1 3.85Å; F16-F19 HydrophobicContact CD1-CD1 4.01Å; F16-F19 AromaticContact CD1-CE1 3.47Å; F16-F19 HydrophobicContact CD1-CE1 3.47Å; F16-F19 VanDerWaalsContact CD1-CE1 3.47Å; F16-F19 HydrophobicContact CE1-CE1 4.25Å; F16-F19 AromaticContact CG-CE1 3.88Å; F16-F19 HydrophobicContact CG-CE1 3.88Å; F16-F19 WeakPolarHBondContact O-CD1 3.49Å; F16-F19 PolarHBondContact O-N 2.92Å; V17-F19 PolarHBondContact O-N 3.32Å; F19-S21 VanDerWaalsContact C-N 3.26Å; F19-S21 PolarHBondContact O-N 3.45Å; F19-K22 PolarHBondContact O-N 3.11Å; F19-K22 VanDerWaalsContact O-N 3.09Å; F19-P23 WeakPolarHBondContact O-CD 3.22Å; F19-V31 HydrophobicContact CB-CB 4.35Å; F19-V31 HydrophobicContact CB-CG1 4.33Å; F19-L32 HydrophobicContact CB-CD2 4.19Å; F19-L32 HydrophobicContact CB-CG 4.17Å; F19-L32 HydrophobicContact CD1-CD2 3.41Å; F19-L32 VanDerWaalsContact CD1-CD2 3.41Å; F19-L32 HydrophobicContact CD1-CG 4.31Å; F19-L32 HydrophobicContact CD2-CD2 4.15Å; F19-L32 HydrophobicContact CE1-CD2 3.79Å; F19-L32 HydrophobicContact CE2-CD2 4.47Å; F19-L32 HydrophobicContact CG-CD2 3.64Å; F19-L32 HydrophobicContact CG-CG 4.11Å; F19-L32 HydrophobicContact CZ-CD2 4.32Å
20S87.9Confident87.1Confident71 Ų7151.7 Ų51.750%0.49728%0.284SS..Hα-helixtrans-72-19.7-177.4-176.70000113.2F16 V17 K22F16-S20 WeakPolarHBondContact O-CB 3.44Å; F16-S20 PolarHBondContact O-N 3.48Å; V17-S20 PolarHBondContact O-N 3.33Å; S20-K22 PolarHBondContact O-N 2.8Å; S20-K22 VanDerWaalsContact O-N 3.1Å
21S84.3Confident87.2Confident7 Ų750.4 Ų50.45%0.04928%0.275CS..THydrogen-bonded Turntrans-66.5-0.6169.258.90000113.1V17 G18 F19 S91V17-S21 PolarHBondContact O-N 3Å; V17-S21 VanDerWaalsContact O-N 3.14Å; V17-S21 PolarHBondContact O-OG 3.07Å; G18-S21 PolarHBondContact O-OG 2.89Å; F19-S21 VanDerWaalsContact C-N 3.26Å; F19-S21 PolarHBondContact O-N 3.45Å; S21-S91 WeakPolarHBondContact CA-OG 3.48Å; S21-S91 WeakPolarHBondContact CB-OG 3.36Å
22K83.2Confident87.3Confident165 Ų16550 Ų5072%0.71727%0.265SS*.  trans54.150.5-179.8-54.8-175.5-173.970.20112.5F19 S20F19-K22 PolarHBondContact O-N 3.11Å; F19-K22 VanDerWaalsContact O-N 3.09Å; S20-K22 PolarHBondContact O-N 2.8Å; S20-K22 VanDerWaalsContact O-N 3.1Å
23P76Confident87.5Confident9 Ų951.7 Ų51.76%0.05827%0.274CS..  trans-62.6157161.634.8-34.6000107.8G18 F19G18-P23 WeakPolarHBondContact O-CD 3.34Å; G18-P23 WeakPolarHBondContact O-CG 3.09Å; F19-P23 WeakPolarHBondContact O-CD 3.22Å
24S84.6Confident87.7Confident15 Ų1553.1 Ų53.111%0.10528%0.282CS..  trans-46.6148.2-179.657.50000112.4I26 Y27 G28 E80S24-I26 PolarHBondContact O-N 3.4Å; S24-Y27 PolarHBondContact O-N 2.72Å; S24-Y27 WeakPolarHBondContact OG-CD2 3.23Å; S24-G28 PolarHBondContact O-N 2.89Å; S24-G28 VanDerWaalsContact O-N 3.08Å; S24-E80 PolarHBondContact OG-O 3.19Å
25P86.1Confident87.9Confident72 Ų7249.2 Ų49.247%0.46826%0.264SS..Hα-helixtrans-53.6-27.4-167.7-3035.8000115.6G29 F67 T71P25-G29 PolarHBondContact O-N 3.31Å; P25-F67 HydrophobicContact CB-CE1 4.47Å; P25-F67 HydrophobicContact CB-CZ 4.03Å; P25-T71 HydrophobicContact CB-CG2 3.4Å; P25-T71 VanDerWaalsContact CB-CG2 3.4Å; P25-T71 HydrophobicContact CG-CG2 4.48Å
26I86.1Confident88Confident74 Ų7449.1 Ų49.138%0.37926%0.263SS..Hα-helixtrans-64.7-49.4176.2-55.7175.1000110.8S24 G29 L30 I75S24-I26 PolarHBondContact O-N 3.4Å; I26-G29 PolarHBondContact O-N 3.28Å; I26-L30 PolarHBondContact O-N 3.28Å; I26-I75 HydrophobicContact CD1-CD1 4.31Å; I26-I75 HydrophobicContact CD1-CG1 4.35Å
27Y87Confident88.3Confident84 Ų8447.6 Ų47.633%0.32926%0.261SS..Hα-helixtrans-69.7-39177.3-68-60.8000111.4S24 G29 L30 V31 E80 W82S24-Y27 PolarHBondContact O-N 2.72Å; S24-Y27 WeakPolarHBondContact OG-CD2 3.23Å; Y27-G29 VanDerWaalsContact C-N 3.26Å; Y27-G29 PolarHBondContact O-N 2.91Å; Y27-L30 HydrophobicContact CD1-CD1 4.36Å; Y27-L30 PolarHBondContact O-N 2.72Å; Y27-V31 WeakPolarHBondContact O-CG2 3.48Å; Y27-V31 PolarHBondContact O-N 2.96Å; Y27-V31 VanDerWaalsContact O-N 3.07Å; Y27-E80 WeakPolarHBondContact CD2-O 3.4Å; Y27-W82 AromaticContact CD1-CD1 3.96Å; Y27-W82 AromaticContact CD1-NE1 3.54Å; Y27-W82 AromaticContact CG-CD1 3.86Å; Y27-W82 AromaticContact CG-NE1 3.52Å
28G87Confident88.5Confident8 Ų848 Ų488%0.08226%0.263CS..Hα-helixtrans-55.5-43.9172.500000111.6S24 L30 V31 L32S24-G28 PolarHBondContact O-N 2.89Å; S24-G28 VanDerWaalsContact O-N 3.08Å; G28-L30 PolarHBondContact O-N 3.09Å; G28-V31 PolarHBondContact O-N 3.15Å; G28-L32 WeakPolarHBondContact O-CB 3.38Å; G28-L32 VanDerWaalsContact O-CG 3.3Å; G28-L32 WeakPolarHBondContact O-CG 3.38Å; G28-L32 PolarHBondContact O-N 2.98Å
29G88.7Confident88.8Confident9 Ų948.4 Ų48.49%0.09327%0.268CS..Hα-helixtrans-59.2-45175.700000113.6P25 I26 Y27 V31 L32 I33 M64P25-G29 PolarHBondContact O-N 3.31Å; I26-G29 PolarHBondContact O-N 3.28Å; Y27-G29 VanDerWaalsContact C-N 3.26Å; Y27-G29 PolarHBondContact O-N 2.91Å; G29-V31 PolarHBondContact O-N 3Å; G29-L32 PolarHBondContact O-N 2.95Å; G29-I33 WeakPolarHBondContact O-CG1 3.36Å; G29-I33 PolarHBondContact O-N 3.33Å; G29-M64 WeakPolarHBondContact O-CE 3.43Å
30L88.9Confident89.1Confident98 Ų9845.1 Ų45.151%0.51326%0.255SS..Hα-helixtrans-61.2-44.1177-68.1175000112.1I26 Y27 G28 I33 V34I26-L30 PolarHBondContact O-N 3.28Å; Y27-L30 HydrophobicContact CD1-CD1 4.36Å; Y27-L30 PolarHBondContact O-N 2.72Å; G28-L30 PolarHBondContact O-N 3.09Å; L30-I33 PolarHBondContact O-N 2.91Å; L30-V34 WeakPolarHBondContact O-CG2 3.34Å; L30-V34 PolarHBondContact O-N 2.97Å; L30-V34 VanDerWaalsContact O-N 3.11Å
31V92.1Very high89.2Confident16 Ų1644.4 Ų44.410%0.09725%0.247CC..Hα-helixtrans-65.9-40.8179.1-178.60000111.3G15 F19 Y27 G28 G29 I33 V34 S35 W82G15-V31 WeakPolarHBondContact O-CG1 3.45Å; F19-V31 HydrophobicContact CB-CB 4.35Å; F19-V31 HydrophobicContact CB-CG1 4.33Å; Y27-V31 WeakPolarHBondContact O-CG2 3.48Å; Y27-V31 PolarHBondContact O-N 2.96Å; Y27-V31 VanDerWaalsContact O-N 3.07Å; G28-V31 PolarHBondContact O-N 3.15Å; G29-V31 PolarHBondContact O-N 3Å; V31-I33 VanDerWaalsContact C-N 3.26Å; V31-I33 PolarHBondContact O-N 3.28Å; V31-V34 PolarHBondContact O-N 2.99Å; V31-S35 PolarHBondContact O-N 3.1Å; V31-S35 PolarHBondContact O-OG 2.9Å; V31-W82 HydrophobicContact CG2-CH2 3.41Å; V31-W82 VanDerWaalsContact CG2-CH2 3.41Å; V31-W82 HydrophobicContact CG2-CZ2 3.21Å
32L91.6Very high89.5Confident25 Ų2545.4 Ų45.413%0.13125%0.251CS..Hα-helixtrans-63.4-32.2175.8-73.1177.4000112.5F19 G28 G29 S35 G36 M64F19-L32 HydrophobicContact CB-CD2 4.19Å; F19-L32 HydrophobicContact CB-CG 4.17Å; F19-L32 HydrophobicContact CD1-CD2 3.41Å; F19-L32 VanDerWaalsContact CD1-CD2 3.41Å; F19-L32 HydrophobicContact CD1-CG 4.31Å; F19-L32 HydrophobicContact CD2-CD2 4.15Å; F19-L32 HydrophobicContact CE1-CD2 3.79Å; F19-L32 HydrophobicContact CE2-CD2 4.47Å; F19-L32 HydrophobicContact CG-CD2 3.64Å; F19-L32 HydrophobicContact CG-CG 4.11Å; F19-L32 HydrophobicContact CZ-CD2 4.32Å; G28-L32 WeakPolarHBondContact O-CB 3.38Å; G28-L32 VanDerWaalsContact O-CG 3.3Å; G28-L32 WeakPolarHBondContact O-CG 3.38Å; G28-L32 PolarHBondContact O-N 2.98Å; G29-L32 PolarHBondContact O-N 2.95Å; L32-S35 WeakPolarHBondContact CA-OG 3.48Å; L32-S35 PolarHBondContact O-OG 3.45Å; L32-G36 PolarHBondContact O-N 2.93Å; L32-M64 HydrophobicContact CB-CE 3.64Å; L32-M64 HydrophobicContact CB-SD 4Å; L32-M64 HydrophobicContact CD1-CE 3.94Å; L32-M64 HydrophobicContact CD1-SD 4.09Å; L32-M64 HydrophobicContact CG-CE 4.45Å
33I94.1Very high89.8Confident73 Ų7340.1 Ų40.137%0.37423%0.231SC..Hα-helixtrans-67.1-47.9173.3-67.8163.5000110.3G29 L30 V31 G36 V37 L60 M64G29-I33 WeakPolarHBondContact O-CG1 3.36Å; G29-I33 PolarHBondContact O-N 3.33Å; L30-I33 PolarHBondContact O-N 2.91Å; V31-I33 VanDerWaalsContact C-N 3.26Å; V31-I33 PolarHBondContact O-N 3.28Å; I33-G36 PolarHBondContact O-N 3.32Å; I33-V37 WeakPolarHBondContact O-CG2 3.14Å; I33-V37 PolarHBondContact O-N 3.09Å; I33-L60 HydrophobicContact CB-CD2 4.18Å; I33-L60 HydrophobicContact CG1-CD2 4.17Å; I33-L60 HydrophobicContact CG2-CD2 4.21Å; I33-M64 HydrophobicContact CG1-CE 4.46Å; I33-M64 HydrophobicContact CG1-CG 4.49Å
34V93.8Very high90.4Very high95 Ų9543.7 Ų43.758%0.57625%0.249SC*.Hα-helixtrans-61.4-47.3178.9176.60000111L30 V31 G36 V37 V38L30-V34 WeakPolarHBondContact O-CG2 3.34Å; L30-V34 PolarHBondContact O-N 2.97Å; L30-V34 VanDerWaalsContact O-N 3.11Å; V31-V34 PolarHBondContact O-N 2.99Å; V34-G36 VanDerWaalsContact C-N 3.34Å; V34-G36 PolarHBondContact O-N 3.39Å; V34-V37 PolarHBondContact O-N 3.1Å; V34-V38 WeakPolarHBondContact O-CG2 3.24Å; V34-V38 PolarHBondContact O-N 2.88Å
35S93.4Very high90.5Very high4 Ų446.6 Ų46.63%0.02826%0.263CS..Hα-helixtrans-65.7-36.4178.767.10000112.3V31 L32 V38 G39V31-S35 PolarHBondContact O-N 3.1Å; V31-S35 PolarHBondContact O-OG 2.9Å; L32-S35 WeakPolarHBondContact CA-OG 3.48Å; L32-S35 PolarHBondContact O-OG 3.45Å; S35-V38 PolarHBondContact O-N 2.89Å; S35-G39 PolarHBondContact O-N 2.91Å
36G93Very high90.4Very high9 Ų948.3 Ų48.39%0.09326%0.263CS..Hα-helixtrans-63.8-41.2173.400000112.8L32 I33 V34 G39 C40L32-G36 PolarHBondContact O-N 2.93Å; I33-G36 PolarHBondContact O-N 3.32Å; V34-G36 VanDerWaalsContact C-N 3.34Å; V34-G36 PolarHBondContact O-N 3.39Å; G36-G39 PolarHBondContact O-N 3.25Å; G36-C40 PolarHBondContact O-N 2.98Å; G36-C40 PolarHBondContact O-SG 3.22Å
37V94.3Very high90.2Very high62 Ų6246.6 Ų46.638%0.37626%0.264SS..Hα-helixtrans-64-46174.5173.10000110.6I33 V34 G39 C40 V41 L60I33-V37 WeakPolarHBondContact O-CG2 3.14Å; I33-V37 PolarHBondContact O-N 3.09Å; V34-V37 PolarHBondContact O-N 3.1Å; V37-G39 VanDerWaalsContact C-N 3.3Å; V37-G39 PolarHBondContact O-N 3.34Å; V37-C40 WeakPolarHBondContact O-CB 3.28Å; V37-C40 PolarHBondContact O-N 3.3Å; V37-V41 WeakPolarHBondContact O-CG2 3.44Å; V37-V41 PolarHBondContact O-N 3.16Å; V37-L60 HydrophobicContact CG2-CD1 3.72Å
38V94Very high90.2Very high30 Ų3042.9 Ų42.918%0.18225%0.252CS..Hα-helixtrans-59.2-43.2175.81750000110.7L8 L12 V34 S35 C40 V41 I42L8-V38 HydrophobicContact CB-CG1 4.34Å; L8-V38 HydrophobicContact CD2-CG1 4.11Å; L8-V38 VanDerWaalsContact O-CG1 3.27Å; L8-V38 WeakPolarHBondContact O-CG1 3.36Å; L12-V38 HydrophobicContact CB-CG1 4.17Å; V34-V38 WeakPolarHBondContact O-CG2 3.24Å; V34-V38 PolarHBondContact O-N 2.88Å; S35-V38 PolarHBondContact O-N 2.89Å; V38-C40 PolarHBondContact O-N 2.95Å; V38-V41 WeakPolarHBondContact O-CB 3.35Å; V38-V41 PolarHBondContact O-N 3.35Å; V38-I42 HydrophobicContact CG1-CD1 4.29Å; V38-I42 WeakPolarHBondContact O-CG1 3.34Å; V38-I42 PolarHBondContact O-N 3.36Å
39G91.8Very high90.2Very high14 Ų1442.9 Ų42.914%0.14425%0.252CS..Hα-helixtrans-59.8-42.8174.400000113.1S35 G36 V37 V41 I42 I43S35-G39 PolarHBondContact O-N 2.91Å; G36-G39 PolarHBondContact O-N 3.25Å; V37-G39 VanDerWaalsContact C-N 3.3Å; V37-G39 PolarHBondContact O-N 3.34Å; G39-V41 VanDerWaalsContact C-N 3.33Å; G39-V41 PolarHBondContact O-N 3.32Å; G39-I42 PolarHBondContact O-N 2.92Å; G39-I43 WeakPolarHBondContact O-CG1 3.19Å; G39-I43 PolarHBondContact O-N 3.49Å; G39-I43 VanDerWaalsContact O-N 3.11Å
40C92.3Very high90.2Very high8 Ų847 Ų475%0.05427%0.265CS..Hα-helixtrans-61.2-42.8174.5-64.90000111.2G36 V37 V38 I42 I43 L44G36-C40 PolarHBondContact O-N 2.98Å; G36-C40 PolarHBondContact O-SG 3.22Å; V37-C40 WeakPolarHBondContact O-CB 3.28Å; V37-C40 PolarHBondContact O-N 3.3Å; V38-C40 PolarHBondContact O-N 2.95Å; C40-I42 VanDerWaalsContact C-N 3.33Å; C40-I42 PolarHBondContact O-N 3.08Å; C40-I43 PolarHBondContact O-N 2.98Å; C40-L44 VanDerWaalsContact O-CG 3.24Å; C40-L44 WeakPolarHBondContact O-CG 3.35Å; C40-L44 PolarHBondContact O-N 3.37Å
41V91.9Very high90.3Very high56 Ų5647.4 Ų47.434%0.33927%0.265SS..Hα-helixtrans-61.5-41.4176.8175.50000110.9L8 V37 V38 G39 I43 L44 N45L8-V41 HydrophobicContact CD1-CG1 3.86Å; L8-V41 HydrophobicContact CD2-CG1 4.26Å; V37-V41 WeakPolarHBondContact O-CG2 3.44Å; V37-V41 PolarHBondContact O-N 3.16Å; V38-V41 WeakPolarHBondContact O-CB 3.35Å; V38-V41 PolarHBondContact O-N 3.35Å; G39-V41 VanDerWaalsContact C-N 3.33Å; G39-V41 PolarHBondContact O-N 3.32Å; V41-I43 PolarHBondContact O-N 2.91Å; V41-L44 PolarHBondContact O-N 2.91Å; V41-N45 WeakPolarHBondContact CG1-ND2 3.49Å; V41-N45 PolarHBondContact O-N 3.35Å; V41-N45 VanDerWaalsContact O-N 3.08Å; V41-N45 PolarHBondContact O-ND2 2.88Å
42I90.4Very high90.2Very high27 Ų2746.7 Ų46.714%0.13826%0.261CS..Hα-helixtrans-58.3-49.1176-66.8167.7000110.5L5 L8 L12 V38 G39 C40 L44 N45 F46L5-I42 HydrophobicContact CD2-CG2 4.47Å; L8-I42 HydrophobicContact CB-CD1 4.1Å; L8-I42 HydrophobicContact CB-CG1 3.71Å; L8-I42 HydrophobicContact CD1-CG1 4.38Å; L12-I42 HydrophobicContact CB-CD1 4.34Å; L12-I42 HydrophobicContact CD1-CD1 3.82Å; V38-I42 HydrophobicContact CG1-CD1 4.29Å; V38-I42 WeakPolarHBondContact O-CG1 3.34Å; V38-I42 PolarHBondContact O-N 3.36Å; G39-I42 PolarHBondContact O-N 2.92Å; C40-I42 VanDerWaalsContact C-N 3.33Å; C40-I42 PolarHBondContact O-N 3.08Å; I42-L44 VanDerWaalsContact C-N 3.34Å; I42-L44 PolarHBondContact O-N 3.3Å; I42-N45 PolarHBondContact O-N 2.92Å; I42-F46 HydrophobicContact CG2-CD2 4.18Å; I42-F46 HydrophobicContact CG2-CE2 3.71Å; I42-F46 WeakPolarHBondContact O-CD2 3.42Å; I42-F46 PolarHBondContact O-N 3.2Å
43I89.4Confident90.2Very high55 Ų5550.3 Ų50.328%0.28228%0.28SS..Hα-helixtrans-63.6-40.3-179.4-60.5165000111.2G39 C40 V41 N45 F46 G48 M51 V55G39-I43 WeakPolarHBondContact O-CG1 3.19Å; G39-I43 PolarHBondContact O-N 3.49Å; G39-I43 VanDerWaalsContact O-N 3.11Å; C40-I43 PolarHBondContact O-N 2.98Å; V41-I43 PolarHBondContact O-N 2.91Å; I43-N45 VanDerWaalsContact C-N 3.29Å; I43-N45 PolarHBondContact O-N 2.99Å; I43-F46 PolarHBondContact O-N 3.49Å; I43-F46 VanDerWaalsContact O-N 3.11Å; I43-G48 WeakPolarHBondContact CG2-O 3.3Å; I43-G48 PolarHBondContact O-N 3.35Å; I43-G48 VanDerWaalsContact O-N 3.09Å; I43-M51 HydrophobicContact CG2-CB 4.11Å; I43-V55 HydrophobicContact CD1-CG2 4.39Å
44L88.3Confident90.2Very high83 Ų8349.9 Ų49.944%0.43528%0.278SS..Hα-helixtrans-63.7-33.4178-70.9173.9000112.7C40 V41 I42 F46 G47C40-L44 VanDerWaalsContact O-CG 3.24Å; C40-L44 WeakPolarHBondContact O-CG 3.35Å; C40-L44 PolarHBondContact O-N 3.37Å; V41-L44 PolarHBondContact O-N 2.91Å; I42-L44 VanDerWaalsContact C-N 3.34Å; I42-L44 PolarHBondContact O-N 3.3Å; L44-F46 PolarHBondContact O-N 3.48Å; L44-G47 PolarHBondContact O-N 3.06Å; L44-G47 VanDerWaalsContact O-N 3.12Å
45N86.6Confident90.1Very high76 Ų7648.1 Ų48.141%0.40627%0.267SS..Hα-helixtrans-68.3-23.9175.7-80.4-78.4000112.9L5 V41 I42 I43 G47L5-N45 HydrophobicContact CD2-CB 3.57Å; V41-N45 WeakPolarHBondContact CG1-ND2 3.49Å; V41-N45 PolarHBondContact O-N 3.35Å; V41-N45 VanDerWaalsContact O-N 3.08Å; V41-N45 PolarHBondContact O-ND2 2.88Å; I42-N45 PolarHBondContact O-N 2.92Å; I43-N45 VanDerWaalsContact C-N 3.29Å; I43-N45 PolarHBondContact O-N 2.99Å; N45-G47 VanDerWaalsContact C-N 3.27Å
46F83.5Confident90Very high108 Ų10852.6 Ų52.647%0.47429%0.286SS..THydrogen-bonded Turntrans-86.27.8172.8-67.7-66.9000113.4L5 I42 I43 L44 G48 M125L5-F46 HydrophobicContact CD1-CE1 3.83Å; L5-F46 HydrophobicContact CD1-CE2 4.39Å; L5-F46 HydrophobicContact CD1-CZ 3.71Å; L5-F46 HydrophobicContact CD2-CE2 4.31Å; L5-F46 HydrophobicContact CD2-CZ 4.41Å; I42-F46 HydrophobicContact CG2-CD2 4.18Å; I42-F46 HydrophobicContact CG2-CE2 3.71Å; I42-F46 WeakPolarHBondContact O-CD2 3.42Å; I42-F46 PolarHBondContact O-N 3.2Å; I43-F46 PolarHBondContact O-N 3.49Å; I43-F46 VanDerWaalsContact O-N 3.11Å; L44-F46 PolarHBondContact O-N 3.48Å; F46-G48 VanDerWaalsContact C-N 3.28Å; F46-G48 PolarHBondContact O-N 2.97Å; F46-M125 HydrophobicContact CE1-CB 4.37Å
47G83.1Confident90Very high38 Ų3857.3 Ų57.339%0.39231%0.309SS..THydrogen-bonded Turntrans80.85.3-177.200000114.3L44 N45 G49 R136L44-G47 PolarHBondContact O-N 3.06Å; L44-G47 VanDerWaalsContact O-N 3.12Å; N45-G47 VanDerWaalsContact C-N 3.27Å; G47-G49 VanDerWaalsContact C-N 3.28Å; G47-G49 PolarHBondContact O-N 3.5Å; G47-R136 PolarHBondContact O-NH2 3.28Å
48G86Confident90.1Very high7 Ų758.9 Ų58.97%0.07231%0.314CS..  trans-76.761.1-179.500000114.2I43 F46 G52 D138I43-G48 WeakPolarHBondContact CG2-O 3.3Å; I43-G48 PolarHBondContact O-N 3.35Å; I43-G48 VanDerWaalsContact O-N 3.09Å; F46-G48 VanDerWaalsContact C-N 3.28Å; F46-G48 PolarHBondContact O-N 2.97Å; G48-G52 PolarHBondContact O-N 2.94Å; G48-D138 WeakPolarHBondContact CA-OD2 3.46Å
49G86.8Confident90.1Very high8 Ų860.7 Ų60.78%0.08232%0.318CS..Hα-helixtrans-60.4-53.6-17400000113.6G47 L53 D138G47-G49 VanDerWaalsContact C-N 3.28Å; G47-G49 PolarHBondContact O-N 3.5Å; G49-L53 VanDerWaalsContact O-CG 3.29Å; G49-L53 WeakPolarHBondContact O-CG 3.47Å; G49-L53 PolarHBondContact O-N 3.42Å; G49-D138 PolarHBondContact N-OD2 3.31Å
50Y89.7Confident90Very high94 Ų9460.9 Ų60.937%0.36932%0.315SS..Hα-helixtrans-68.7-43.6-178.8175.2-98.1000110.7G52 L53 M54 D138 A142Y50-G52 PolarHBondContact O-N 3.49Å; Y50-L53 PolarHBondContact O-N 3.14Å; Y50-M54 HydrophobicContact CD1-CG 4.09Å; Y50-M54 HydrophobicContact CD2-CG 4.36Å; Y50-M54 HydrophobicContact CE1-CG 3.72Å; Y50-M54 HydrophobicContact CE1-SD 4.46Å; Y50-M54 HydrophobicContact CE2-CG 4.02Å; Y50-M54 HydrophobicContact CE2-SD 4.04Å; Y50-M54 HydrophobicContact CG-CG 4.39Å; Y50-M54 VanDerWaalsContact O-CG 3.26Å; Y50-M54 WeakPolarHBondContact O-CG 3.37Å; Y50-M54 PolarHBondContact O-N 3.46Å; Y50-D138 HydrophobicContact CD1-CB 4.49Å; Y50-D138 PolarHBondContact N-OD2 3.22Å; Y50-A142 HydrophobicContact CD1-CB 3.99Å; Y50-A142 HydrophobicContact CE1-CB 3.38Å
51M89.4Confident90Very high107 Ų10762.7 Ų62.753%0.52734%0.336SS..Hα-helixtrans-62.3-44.9-179-66.9-61.4-79.500112.2I43 M54 V55 D138I43-M51 HydrophobicContact CG2-CB 4.11Å; M51-M54 PolarHBondContact O-N 2.93Å; M51-V55 PolarHBondContact O-N 2.89Å; M51-D138 HydrophobicContact CG-CB 4.29Å
52G91.1Very high90Very high1 Ų161.5 Ų61.51%0.0134%0.335CS..Hα-helixtrans-63.5-41.9176.800000112.7G48 Y50 V55 F56G48-G52 PolarHBondContact O-N 2.94Å; Y50-G52 PolarHBondContact O-N 3.49Å; G52-V55 PolarHBondContact O-N 2.92Å; G52-F56 PolarHBondContact O-N 3.26Å
53L91.9Very high90.1Very high101 Ų10165.4 Ų65.453%0.52935%0.354SS..Hα-helixtrans-68.5-34.4178.3-71.1174.1000112.9G49 Y50 V55 F56 L57G49-L53 VanDerWaalsContact O-CG 3.29Å; G49-L53 WeakPolarHBondContact O-CG 3.47Å; G49-L53 PolarHBondContact O-N 3.42Å; Y50-L53 PolarHBondContact O-N 3.14Å; L53-V55 VanDerWaalsContact C-N 3.34Å; L53-V55 PolarHBondContact O-N 3.42Å; L53-F56 WeakPolarHBondContact O-CB 3.37Å; L53-F56 PolarHBondContact O-N 3.38Å; L53-L57 WeakPolarHBondContact O-CG 3.33Å; L53-L57 PolarHBondContact O-N 3.48Å
54M93.3Very high90.2Very high65 Ų6563.6 Ų63.632%0.3234%0.344SS..Hα-helixtrans-63.5-40175.1-72.4-64.4-77.500111.7Y50 M51 L57 I58Y50-M54 HydrophobicContact CD1-CG 4.09Å; Y50-M54 HydrophobicContact CD2-CG 4.36Å; Y50-M54 HydrophobicContact CE1-CG 3.72Å; Y50-M54 HydrophobicContact CE1-SD 4.46Å; Y50-M54 HydrophobicContact CE2-CG 4.02Å; Y50-M54 HydrophobicContact CE2-SD 4.04Å; Y50-M54 HydrophobicContact CG-CG 4.39Å; Y50-M54 VanDerWaalsContact O-CG 3.26Å; Y50-M54 WeakPolarHBondContact O-CG 3.37Å; Y50-M54 PolarHBondContact O-N 3.46Å; M51-M54 PolarHBondContact O-N 2.93Å; M54-L57 PolarHBondContact O-N 3.02Å; M54-I58 HydrophobicContact CE-CD1 3.72Å; M54-I58 WeakPolarHBondContact O-CB 3.34Å; M54-I58 WeakPolarHBondContact O-CG1 3.3Å; M54-I58 PolarHBondContact O-N 3.45Å
55V92.6Very high90.4Very high58 Ų5862.8 Ų62.835%0.35234%0.343SS..Hα-helixtrans-64-47.3171.9179.30000110.2I43 M51 G52 L53 L57 Y59 L60I43-V55 HydrophobicContact CD1-CG2 4.39Å; M51-V55 PolarHBondContact O-N 2.89Å; G52-V55 PolarHBondContact O-N 2.92Å; L53-V55 VanDerWaalsContact C-N 3.34Å; L53-V55 PolarHBondContact O-N 3.42Å; V55-L57 VanDerWaalsContact C-N 3.28Å; V55-L57 PolarHBondContact O-N 3.44Å; V55-Y59 WeakPolarHBondContact O-CA 3.24Å; V55-Y59 WeakPolarHBondContact O-CB 3.42Å; V55-Y59 PolarHBondContact O-N 2.94Å; V55-L60 PolarHBondContact O-N 3.41Å
56F91.4Very high90.6Very high97 Ų9763.5 Ų63.543%0.42535%0.35SS..Iπ-helixtrans-55.5-43.4178.5-172.2-92.4000112.2G52 L53 L60 G61G52-F56 PolarHBondContact O-N 3.26Å; L53-F56 WeakPolarHBondContact O-CB 3.37Å; L53-F56 PolarHBondContact O-N 3.38Å; F56-L60 HydrophobicContact CD2-CD1 3.57Å; F56-L60 HydrophobicContact CE2-CD1 3.86Å; F56-L60 HydrophobicContact CG-CD1 4.36Å; F56-L60 VanDerWaalsContact O-CB 3.29Å; F56-L60 WeakPolarHBondContact O-CB 3.17Å; F56-L60 PolarHBondContact O-N 3.45Å; F56-G61 PolarHBondContact O-N 2.97Å; F56-G61 VanDerWaalsContact O-N 3.12Å
57L93.4Very high90.9Very high109 Ų10962 Ų6257%0.57134%0.343SS*.Iπ-helixtrans-75.5-53.7-179.4-67.9173.1000112.7L53 M54 V55 G61 G62L53-L57 WeakPolarHBondContact O-CG 3.33Å; L53-L57 PolarHBondContact O-N 3.48Å; M54-L57 PolarHBondContact O-N 3.02Å; V55-L57 VanDerWaalsContact C-N 3.28Å; V55-L57 PolarHBondContact O-N 3.44Å; L57-G61 CarbonylContact O-C 3.51Å; L57-G61 WeakPolarHBondContact O-CA 3.08Å; L57-G61 PolarHBondContact O-N 2.93Å; L57-G61 VanDerWaalsContact O-N 3.12Å; L57-G62 PolarHBondContact O-N 3.5Å
58I94.9Very high91.2Very high95 Ų9561.8 Ų61.849%0.48734%0.341SS..Iπ-helixtrans-75.8-43.4-171.3-61171000111M54 G62 M63M54-I58 HydrophobicContact CE-CD1 3.72Å; M54-I58 WeakPolarHBondContact O-CB 3.34Å; M54-I58 WeakPolarHBondContact O-CG1 3.3Å; M54-I58 PolarHBondContact O-N 3.45Å; I58-G62 CarbonylContact O-C 3.53Å; I58-G62 VanDerWaalsContact O-CA 3.24Å; I58-G62 WeakPolarHBondContact O-CA 3.36Å; I58-G62 PolarHBondContact O-N 3.15Å; I58-M63 PolarHBondContact O-N 2.99Å
59Y93.4Very high91.4Very high67 Ų6769.5 Ų69.526%0.26337%0.369SS..Iπ-helixtrans-78.3-62.6-178-175.3-95.6000110.9V55 M63 M64V55-Y59 WeakPolarHBondContact O-CA 3.24Å; V55-Y59 WeakPolarHBondContact O-CB 3.42Å; V55-Y59 PolarHBondContact O-N 2.94Å; Y59-M63 HydrophobicContact CD2-CE 3.52Å; Y59-M63 HydrophobicContact CE2-CE 4.35Å; Y59-M63 HydrophobicContact CG-CE 4.29Å; Y59-M63 PolarHBondContact O-N 3.25Å; Y59-M64 HydrophobicContact CD1-CG 4.21Å; Y59-M64 HydrophobicContact CE1-CG 3.97Å; Y59-M64 HydrophobicContact CE1-SD 4.12Å; Y59-M64 WeakPolarHBondContact O-CG 3.39Å; Y59-M64 PolarHBondContact O-N 3.26Å
60L90.9Very high91.4Very high18 Ų1872.7 Ų72.79%0.09439%0.387CS..Iπ-helixtrans-73.5-43.6-175.5-59.6173.9000112.3I33 V37 V55 F56 M64I33-L60 HydrophobicContact CB-CD2 4.18Å; I33-L60 HydrophobicContact CG1-CD2 4.17Å; I33-L60 HydrophobicContact CG2-CD2 4.21Å; V37-L60 HydrophobicContact CG2-CD1 3.72Å; V55-L60 PolarHBondContact O-N 3.41Å; F56-L60 HydrophobicContact CD2-CD1 3.57Å; F56-L60 HydrophobicContact CE2-CD1 3.86Å; F56-L60 HydrophobicContact CG-CD1 4.36Å; F56-L60 VanDerWaalsContact O-CB 3.29Å; F56-L60 WeakPolarHBondContact O-CB 3.17Å; F56-L60 PolarHBondContact O-N 3.45Å; L60-M64 HydrophobicContact CD2-CG 4.41Å
61G91.2Very high91.2Very high47 Ų4769.2 Ų69.249%0.48538%0.375SS..Iπ-helixtrans-80.2-29.5-179.600000114.5F56 L57 V65F56-G61 PolarHBondContact O-N 2.97Å; F56-G61 VanDerWaalsContact O-N 3.12Å; L57-G61 CarbonylContact O-C 3.51Å; L57-G61 WeakPolarHBondContact O-CA 3.08Å; L57-G61 PolarHBondContact O-N 2.93Å; L57-G61 VanDerWaalsContact O-N 3.12Å; G61-V65 WeakPolarHBondContact O-CG2 3.49Å
62G92.4Very high91Very high31 Ų3167 Ų6732%0.3237%0.374SS..Iπ-helixtrans-97.8-78.3-176.500000112.6L57 I58 M64 V65 V66L57-G62 PolarHBondContact O-N 3.5Å; I58-G62 CarbonylContact O-C 3.53Å; I58-G62 VanDerWaalsContact O-CA 3.24Å; I58-G62 WeakPolarHBondContact O-CA 3.36Å; I58-G62 PolarHBondContact O-N 3.15Å; G62-M64 PolarHBondContact O-N 2.97Å; G62-V65 PolarHBondContact O-N 3.12Å; G62-V66 PolarHBondContact O-N 3.5Å
63M93.1Very high90.8Very high108 Ų10875 Ų7553%0.53241%0.413SS..Iπ-helixtrans-65.8-42.5-169.5-66.5-171.4-69.100112.9I58 Y59 V65 V66 F67I58-M63 PolarHBondContact O-N 2.99Å; Y59-M63 HydrophobicContact CD2-CE 3.52Å; Y59-M63 HydrophobicContact CE2-CE 4.35Å; Y59-M63 HydrophobicContact CG-CE 4.29Å; Y59-M63 PolarHBondContact O-N 3.25Å; M63-V65 VanDerWaalsContact C-N 3.26Å; M63-V65 PolarHBondContact O-N 3.41Å; M63-V66 PolarHBondContact O-N 3.02Å; M63-F67 WeakPolarHBondContact O-CB 3.13Å; M63-F67 PolarHBondContact O-N 3.25Å
64M90.3Very high90.3Very high17 Ų1774 Ų748%0.08442%0.419CS..Hα-helixtrans-65.1-31.2180-69.3-52-56.900112.8G29 L32 I33 Y59 L60 G62 F67 G68G29-M64 WeakPolarHBondContact O-CE 3.43Å; L32-M64 HydrophobicContact CB-CE 3.64Å; L32-M64 HydrophobicContact CB-SD 4Å; L32-M64 HydrophobicContact CD1-CE 3.94Å; L32-M64 HydrophobicContact CD1-SD 4.09Å; L32-M64 HydrophobicContact CG-CE 4.45Å; I33-M64 HydrophobicContact CG1-CE 4.46Å; I33-M64 HydrophobicContact CG1-CG 4.49Å; Y59-M64 HydrophobicContact CD1-CG 4.21Å; Y59-M64 HydrophobicContact CE1-CG 3.97Å; Y59-M64 HydrophobicContact CE1-SD 4.12Å; Y59-M64 WeakPolarHBondContact O-CG 3.39Å; Y59-M64 PolarHBondContact O-N 3.26Å; L60-M64 HydrophobicContact CD2-CG 4.41Å; G62-M64 PolarHBondContact O-N 2.97Å; M64-F67 HydrophobicContact CE-CD1 4.04Å; M64-G68 PolarHBondContact O-N 2.9Å
65V92.8Very high89.7Confident66 Ų6675.9 Ų75.940%0.443%0.43SS..Hα-helixtrans-69.2-49.6177173.80000110.3G61 G62 M63 F67 G68 Y69G61-V65 WeakPolarHBondContact O-CG2 3.49Å; G62-V65 PolarHBondContact O-N 3.12Å; M63-V65 VanDerWaalsContact C-N 3.26Å; M63-V65 PolarHBondContact O-N 3.41Å; V65-F67 VanDerWaalsContact C-N 3.29Å; V65-F67 PolarHBondContact O-N 3.35Å; V65-G68 PolarHBondContact O-N 2.95Å; V65-Y69 HydrophobicContact CG1-CD2 3.71Å; V65-Y69 HydrophobicContact CG1-CE2 3.36Å; V65-Y69 WeakPolarHBondContact O-CD2 3.33Å; V65-Y69 PolarHBondContact O-N 3.31Å
66V92Very high89Confident92 Ų9280.3 Ų80.356%0.55845%0.446SS*.Hα-helixtrans-60.7-41175.9179.80000110.9G62 M63 Y69 T70G62-V66 PolarHBondContact O-N 3.5Å; M63-V66 PolarHBondContact O-N 3.02Å; V66-Y69 PolarHBondContact O-N 3.39Å; V66-T70 WeakPolarHBondContact O-CG2 3.47Å; V66-T70 PolarHBondContact O-N 3.07Å; V66-T70 PolarHBondContact O-OG1 2.93Å
67F89.8Confident88Confident77 Ų7784.3 Ų84.334%0.33847%0.466SS..Hα-helixtrans-56.3-54.1173.5179.1-104.1000111P25 M63 M64 V65 Y69 T70 T71P25-F67 HydrophobicContact CB-CE1 4.47Å; P25-F67 HydrophobicContact CB-CZ 4.03Å; M63-F67 WeakPolarHBondContact O-CB 3.13Å; M63-F67 PolarHBondContact O-N 3.25Å; M64-F67 HydrophobicContact CE-CD1 4.04Å; V65-F67 VanDerWaalsContact C-N 3.29Å; V65-F67 PolarHBondContact O-N 3.35Å; F67-Y69 VanDerWaalsContact C-N 3.31Å; F67-Y69 PolarHBondContact O-N 3.47Å; F67-T70 PolarHBondContact O-N 3.11Å; F67-T70 VanDerWaalsContact O-N 3.07Å; F67-T70 PolarHBondContact O-OG1 3.46Å; 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 4.01Å; F67-T71 HydrophobicContact CG-CG2 4.36Å; F67-T71 HydrophobicContact CZ-CG2 3.72Å; F67-T71 WeakPolarHBondContact O-CG2 3.34Å; F67-T71 PolarHBondContact O-N 3.23Å
68G89.1Confident87Confident33 Ų3388.8 Ų88.834%0.3448%0.477SS..Hα-helixtrans-53.1-44.9176.100000113.2M64 V65 T70 T71 A72M64-G68 PolarHBondContact O-N 2.9Å; V65-G68 PolarHBondContact O-N 2.95Å; G68-T70 PolarHBondContact O-N 3.47Å; G68-T71 WeakPolarHBondContact CA-OG1 3.33Å; G68-T71 PolarHBondContact O-N 3.29Å; G68-T71 PolarHBondContact O-OG1 3.27Å; G68-A72 PolarHBondContact O-N 2.87Å
69Y89.4Confident86.1Confident169 Ų16987.2 Ų87.266%0.66347%0.473SS*.Hα-helixtrans-60.6-43.4176.4-80.5-66.5000113V65 V66 F67 A72V65-Y69 HydrophobicContact CG1-CD2 3.71Å; V65-Y69 HydrophobicContact CG1-CE2 3.36Å; V65-Y69 WeakPolarHBondContact O-CD2 3.33Å; V65-Y69 PolarHBondContact O-N 3.31Å; V66-Y69 PolarHBondContact O-N 3.39Å; F67-Y69 VanDerWaalsContact C-N 3.31Å; F67-Y69 PolarHBondContact O-N 3.47Å; Y69-A72 WeakPolarHBondContact O-CB 3.29Å; Y69-A72 PolarHBondContact O-N 3.45Å
70T87.1Confident85.2Confident74 Ų7488.7 Ų88.745%0.45448%0.483SS..Hα-helixtrans-71.3-34.3177.958.10000112.8V66 F67 G68 A72 M73V66-T70 WeakPolarHBondContact O-CG2 3.47Å; V66-T70 PolarHBondContact O-N 3.07Å; V66-T70 PolarHBondContact O-OG1 2.93Å; F67-T70 PolarHBondContact O-N 3.11Å; F67-T70 VanDerWaalsContact O-N 3.07Å; F67-T70 PolarHBondContact O-OG1 3.46Å; G68-T70 PolarHBondContact O-N 3.47Å; T70-A72 PolarHBondContact O-N 3.19Å; T70-M73 WeakPolarHBondContact O-CB 3.47Å; T70-M73 PolarHBondContact O-N 3.15Å
71T86.3Confident84.5Confident22 Ų2289.9 Ų89.914%0.13550%0.495CS..Hα-helixtrans-63.4-31.5175.8610000112P25 F67 G68 M73 A74 I75P25-T71 HydrophobicContact CB-CG2 3.4Å; P25-T71 VanDerWaalsContact CB-CG2 3.4Å; P25-T71 HydrophobicContact CG-CG2 4.48Å; 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 4.01Å; F67-T71 HydrophobicContact CG-CG2 4.36Å; F67-T71 HydrophobicContact CZ-CG2 3.72Å; F67-T71 WeakPolarHBondContact O-CG2 3.34Å; F67-T71 PolarHBondContact O-N 3.23Å; G68-T71 WeakPolarHBondContact CA-OG1 3.33Å; G68-T71 PolarHBondContact O-N 3.29Å; G68-T71 PolarHBondContact O-OG1 3.27Å; T71-M73 PolarHBondContact O-N 3.17Å; T71-A74 CarbonylContact O-C 3.59Å; T71-A74 PolarHBondContact O-N 2.9Å; T71-I75 WeakPolarHBondContact O-CG1 3.37Å; T71-I75 PolarHBondContact O-N 2.83Å
72A85.2Confident83.5Confident60 Ų6092.9 Ų92.950%0.49649%0.492SS..Hα-helixtrans-62.4-26.5174.400000113.1G68 Y69 T70 A74 I75G68-A72 PolarHBondContact O-N 2.87Å; Y69-A72 WeakPolarHBondContact O-CB 3.29Å; Y69-A72 PolarHBondContact O-N 3.45Å; T70-A72 PolarHBondContact O-N 3.19Å; A72-A74 VanDerWaalsContact C-N 3.31Å; A72-I75 HydrophobicContact CB-CD1 4.4Å
73M85.2Confident82.5Confident170 Ų17093.9 Ų93.984%0.83750%0.502SS*.THydrogen-bonded Turntrans-79-14.1176.5-58.9-178.517400113.2T70 T71T70-M73 WeakPolarHBondContact O-CB 3.47Å; T70-M73 PolarHBondContact O-N 3.15Å; T71-M73 PolarHBondContact O-N 3.17Å
74A81.6Confident81.8Confident78 Ų7892.3 Ų92.365%0.64550%0.502SS*.THydrogen-bonded Turntrans-12229.2-176.400000112.3T71 A72 E76T71-A74 CarbonylContact O-C 3.59Å; T71-A74 PolarHBondContact O-N 2.9Å; A72-A74 VanDerWaalsContact C-N 3.31Å; A74-E76 PolarHBondContact O-N 3.48Å
75I81.2Confident81.3Confident106 Ų10692.3 Ų92.354%0.54451%0.506SS..  trans-72.5121178.5-65.9177.4000109.6I26 T71 A72I26-I75 HydrophobicContact CD1-CD1 4.31Å; I26-I75 HydrophobicContact CD1-CG1 4.35Å; T71-I75 WeakPolarHBondContact O-CG1 3.37Å; T71-I75 PolarHBondContact O-N 2.83Å; A72-I75 HydrophobicContact CB-CD1 4.4Å
76E78.4Confident80.9Confident150 Ų15094.5 Ų94.570%0.70152%0.519SS*.  trans-82.4151.6167.3-61.6-177.1175.800110.8A74 Y78A74-E76 PolarHBondContact O-N 3.48Å; E76-Y78 PolarHBondContact O-N 2.92Å; E76-Y78 VanDerWaalsContact O-N 3.15Å
77E71Confident80.5Confident181 Ų18198.3 Ų98.385%0.84653%0.531SS*.SBendtrans-59.9-27.2-174.6-68.2-177170.200113.7
78Y71.9Confident80.3Confident203 Ų20394.9 Ų94.980%0.79652%0.516SS*.SBendtrans-129.388176.9-66.1-73.8000110.4E76 E80E76-Y78 PolarHBondContact O-N 2.92Å; E76-Y78 VanDerWaalsContact O-N 3.15Å; Y78-E80 PolarHBondContact O-N 3.19Å
79P75.3Confident80.1Confident63 Ų6397.2 Ų97.241%0.40952%0.521SS..PPolyproline II helixtrans-64.5135.517825.9-33000110.3A81P79-A81 PolarHBondContact O-N 3.25Å; P79-A81 VanDerWaalsContact O-N 3.09Å
80E74.9Confident80.1Confident98 Ų9893 Ų9346%0.45851%0.513SS..PPolyproline II helixtrans-56.9118.5173.6-66.5-169.1171.400110.2S24 Y27 Y78S24-E80 PolarHBondContact OG-O 3.19Å; Y27-E80 WeakPolarHBondContact CD2-O 3.4Å; Y78-E80 PolarHBondContact O-N 3.19Å
81A76.1Confident80.1Confident43 Ų4391.7 Ų91.736%0.35551%0.506SS..PPolyproline II helixtrans-81.8156.7169.600000110.2P79 G83 S84P79-A81 PolarHBondContact O-N 3.25Å; P79-A81 VanDerWaalsContact O-N 3.09Å; A81-G83 PolarHBondContact O-N 3.39Å; A81-S84 PolarHBondContact N-OG 3.01Å; A81-S84 WeakPolarHBondContact O-CB 3.41Å; A81-S84 PolarHBondContact O-N 2.85Å; A81-S84 PolarHBondContact O-OG 3.49Å
82W70.9Confident80.2Confident109 Ų10992.2 Ų92.241%0.41351%0.509SS..THydrogen-bonded Turntrans-51.5-28.9-177.2-75.468.6000115.5Y27 V31Y27-W82 AromaticContact CD1-CD1 3.96Å; Y27-W82 AromaticContact CD1-NE1 3.54Å; Y27-W82 AromaticContact CG-CD1 3.86Å; Y27-W82 AromaticContact CG-NE1 3.52Å; V31-W82 HydrophobicContact CG2-CH2 3.41Å; V31-W82 VanDerWaalsContact CG2-CH2 3.41Å; V31-W82 HydrophobicContact CG2-CZ2 3.21Å
83G72Confident80.4Confident53 Ų5394.9 Ų94.955%0.54651%0.514SS..THydrogen-bonded Turntrans-108.95.3178.700000115A81A81-G83 PolarHBondContact O-N 3.39Å
84S76.9Confident80.6Confident75 Ų7590.9 Ų90.952%0.52450%0.499SS..THydrogen-bonded Turntrans-82.3-39.8-175.463.60000112.7A81A81-S84 PolarHBondContact N-OG 3.01Å; A81-S84 WeakPolarHBondContact O-CB 3.41Å; A81-S84 PolarHBondContact O-N 2.85Å; A81-S84 PolarHBondContact O-OG 3.49Å
85G81.4Confident80.9Confident16 Ų1687.8 Ų87.817%0.16548%0.475CS..  trans-86.8123.2176.400000111.8E87 V88 L89G85-E87 PolarHBondContact O-N 3.12Å; G85-V88 WeakPolarHBondContact O-CB 3.01Å; G85-V88 PolarHBondContact O-N 2.91Å; G85-V88 VanDerWaalsContact O-N 3.16Å; G85-L89 PolarHBondContact O-N 3.28Å; G85-L89 VanDerWaalsContact O-N 3.1Å
86V83.4Confident81.2Confident113 Ų11385.5 Ų85.569%0.68546%0.464SS*.Hα-helixtrans-58-37.2170.4178.90000110.1L89 V90V86-L89 PolarHBondContact O-N 3.18Å; V86-V90 HydrophobicContact CG1-CG2 4.31Å; V86-V90 WeakPolarHBondContact O-CB 3.43Å; V86-V90 VanDerWaalsContact O-CG2 3.24Å; V86-V90 WeakPolarHBondContact O-CG2 3.48Å; V86-V90 PolarHBondContact O-N 3.5Å
87E84.5Confident81.8Confident171 Ų17181.4 Ų81.480%0.79946%0.456SS*.Hα-helixtrans-66.1-38176.8-59.3-171.8178.700112.9G85 V90 S91G85-E87 PolarHBondContact O-N 3.12Å; E87-V90 PolarHBondContact O-N 2.93Å; E87-S91 WeakPolarHBondContact O-CB 3.31Å; E87-S91 PolarHBondContact O-N 3.49Å; E87-S91 PolarHBondContact O-OG 3.12Å
88V84.6Confident82.5Confident5 Ų578.2 Ų78.23%0.0344%0.442CS..Hα-helixtrans-63.2-46.3175.5-177.50000109.7G85 S91 V92G85-V88 WeakPolarHBondContact O-CB 3.01Å; G85-V88 PolarHBondContact O-N 2.91Å; G85-V88 VanDerWaalsContact O-N 3.16Å; V88-S91 PolarHBondContact O-N 3.37Å; V88-S91 PolarHBondContact O-OG 3.02Å; V88-V92 VanDerWaalsContact O-CG2 3.28Å; V88-V92 WeakPolarHBondContact O-CG2 3.22Å; V88-V92 PolarHBondContact O-N 2.95Å
89L85.3Confident83Confident83 Ų8369.7 Ų69.744%0.43541%0.41SS..Hα-helixtrans-65.1-42.9177.7-73.5171.1000112.5G85 V86 V92 L93G85-L89 PolarHBondContact O-N 3.28Å; G85-L89 VanDerWaalsContact O-N 3.1Å; V86-L89 PolarHBondContact O-N 3.18Å; L89-V92 PolarHBondContact O-N 3.27Å; L89-L93 WeakPolarHBondContact O-CG 3.42Å; L89-L93 PolarHBondContact O-N 2.94Å
90V89.2Confident83.5Confident81 Ų8170.7 Ų70.749%0.49141%0.414SS..Hα-helixtrans-62.9-45.4177.7170.10000110.7V86 E87 V92 L93 V94V86-V90 HydrophobicContact CG1-CG2 4.31Å; V86-V90 WeakPolarHBondContact O-CB 3.43Å; V86-V90 VanDerWaalsContact O-CG2 3.24Å; V86-V90 WeakPolarHBondContact O-CG2 3.48Å; V86-V90 PolarHBondContact O-N 3.5Å; E87-V90 PolarHBondContact O-N 2.93Å; V90-V92 PolarHBondContact O-N 3.33Å; V90-L93 PolarHBondContact O-N 3.46Å; V90-V94 HydrophobicContact CG1-CG2 4.39Å; V90-V94 VanDerWaalsContact O-CG2 3.3Å; V90-V94 WeakPolarHBondContact O-CG2 2.95Å; V90-V94 PolarHBondContact O-N 2.86Å
91S87.2Confident83.9Confident45 Ų4567.8 Ų67.832%0.31541%0.411SS..Hα-helixtrans-65.8-37.6179.857.10000112.7S21 E87 V88 V94 G95S21-S91 WeakPolarHBondContact CA-OG 3.48Å; S21-S91 WeakPolarHBondContact CB-OG 3.36Å; E87-S91 WeakPolarHBondContact O-CB 3.31Å; E87-S91 PolarHBondContact O-N 3.49Å; E87-S91 PolarHBondContact O-OG 3.12Å; V88-S91 PolarHBondContact O-N 3.37Å; V88-S91 PolarHBondContact O-OG 3.02Å; S91-V94 PolarHBondContact O-N 3Å; S91-G95 PolarHBondContact O-N 3.25Å
92V88Confident84.2Confident33 Ų3370.4 Ų70.420%0.242%0.418CS..Hα-helixtrans-63.1-46.6172.1172.50000110.9V88 L89 V90 V94 G95 L96V88-V92 VanDerWaalsContact O-CG2 3.28Å; V88-V92 WeakPolarHBondContact O-CG2 3.22Å; V88-V92 PolarHBondContact O-N 2.95Å; L89-V92 PolarHBondContact O-N 3.27Å; V90-V92 PolarHBondContact O-N 3.33Å; V92-V94 VanDerWaalsContact C-N 3.33Å; V92-V94 PolarHBondContact O-N 3.22Å; V92-G95 PolarHBondContact O-N 3.37Å; V92-L96 HydrophobicContact CG1-CD1 4.12Å; V92-L96 HydrophobicContact CG1-CG 4.35Å; V92-L96 WeakPolarHBondContact O-CG 3.34Å; V92-L96 PolarHBondContact O-N 2.93Å
93L88.6Confident84.7Confident116 Ų11668 Ų6861%0.60742%0.416SS*.Hα-helixtrans-61.3-41178.3-74173.5000112.3L89 V90 L96 A97L89-L93 WeakPolarHBondContact O-CG 3.42Å; L89-L93 PolarHBondContact O-N 2.94Å; V90-L93 PolarHBondContact O-N 3.46Å; L93-L96 PolarHBondContact O-N 3.43Å; L93-A97 VanDerWaalsContact O-CB 3.29Å; L93-A97 WeakPolarHBondContact O-CB 3.38Å; L93-A97 PolarHBondContact O-N 3.49Å
94V90.9Very high85.1Confident86 Ų8670 Ų7052%0.52141%0.413SS..Hα-helixtrans-63.8-43.7174.9172.50000110.7V90 S91 V92 A97 M98V90-V94 HydrophobicContact CG1-CG2 4.39Å; V90-V94 VanDerWaalsContact O-CG2 3.3Å; V90-V94 WeakPolarHBondContact O-CG2 2.95Å; V90-V94 PolarHBondContact O-N 2.86Å; S91-V94 PolarHBondContact O-N 3Å; V92-V94 VanDerWaalsContact C-N 3.33Å; V92-V94 PolarHBondContact O-N 3.22Å; V94-A97 PolarHBondContact O-N 3.16Å; V94-M98 HydrophobicContact CG1-CG 4.49Å; V94-M98 WeakPolarHBondContact O-CG 3.48Å; V94-M98 PolarHBondContact O-N 2.96Å
95G88.3Confident85.1Confident14 Ų1473.2 Ų73.214%0.14441%0.414CS..Hα-helixtrans-59-48.3176.300000112.4S91 V92 A97 M98 E99S91-G95 PolarHBondContact O-N 3.25Å; V92-G95 PolarHBondContact O-N 3.37Å; G95-A97 VanDerWaalsContact C-N 3.35Å; G95-A97 PolarHBondContact O-N 2.82Å; G95-M98 PolarHBondContact O-N 3.36Å; G95-E99 PolarHBondContact O-N 3.35Å
96L87.3Confident84.5Confident58 Ų5875.8 Ų75.830%0.30443%0.426SS..Hα-helixtrans-62.2-41.1176-65.7178.9000112.3M14 V92 L93 M98 E99 V100M14-L96 HydrophobicContact CE-CD2 3.52Å; M14-L96 HydrophobicContact SD-CD2 3.21Å; M14-L96 WeakPolarHBondContact SD-CD2 3.21Å; V92-L96 HydrophobicContact CG1-CD1 4.12Å; V92-L96 HydrophobicContact CG1-CG 4.35Å; V92-L96 WeakPolarHBondContact O-CG 3.34Å; V92-L96 PolarHBondContact O-N 2.93Å; L93-L96 PolarHBondContact O-N 3.43Å; L96-M98 VanDerWaalsContact C-N 3.31Å; L96-M98 PolarHBondContact O-N 2.98Å; L96-E99 PolarHBondContact O-N 2.94Å; L96-V100 WeakPolarHBondContact O-CB 3.37Å; L96-V100 WeakPolarHBondContact O-CG2 3.47Å; L96-V100 PolarHBondContact O-N 3.1Å
97A89.6Confident83.6Confident64 Ų6477.2 Ų77.253%0.52942%0.423SS..Hα-helixtrans-63.2-38.7177.100000111.7L93 V94 G95 G101L93-A97 VanDerWaalsContact O-CB 3.29Å; L93-A97 WeakPolarHBondContact O-CB 3.38Å; L93-A97 PolarHBondContact O-N 3.49Å; V94-A97 PolarHBondContact O-N 3.16Å; G95-A97 VanDerWaalsContact C-N 3.35Å; G95-A97 PolarHBondContact O-N 2.82Å; A97-G101 WeakPolarHBondContact O-CA 3.26Å; A97-G101 PolarHBondContact O-N 3.04Å
98M86.4Confident82.4Confident113 Ų11376.7 Ų76.756%0.55742%0.421SS*.Hα-helixtrans-67.5-43.6175.5-71.9-59.4-68.100112V94 G95 L96 G101 L102V94-M98 HydrophobicContact CG1-CG 4.49Å; V94-M98 WeakPolarHBondContact O-CG 3.48Å; V94-M98 PolarHBondContact O-N 2.96Å; G95-M98 PolarHBondContact O-N 3.36Å; L96-M98 VanDerWaalsContact C-N 3.31Å; L96-M98 PolarHBondContact O-N 2.98Å; M98-G101 PolarHBondContact O-N 3.39Å; M98-L102 WeakPolarHBondContact O-CB 3.4Å; M98-L102 VanDerWaalsContact O-CG 3.25Å; M98-L102 WeakPolarHBondContact O-CG 3.39Å; M98-L102 PolarHBondContact O-N 3.38Å
99E83.1Confident80.9Confident24 Ų2483 Ų8311%0.11245%0.445CS..Hα-helixtrans-60.7-54.4176.4-74-177-162.500111.7V13 M14 V17 G95 L96 G101 L102 V103V13-E99 HydrophobicContact CB-CG 4.32Å; V13-E99 WeakPolarHBondContact CB-OE1 3.32Å; V13-E99 HydrophobicContact CG1-CG 3.74Å; V13-E99 WeakPolarHBondContact CG1-OE1 3.35Å; M14-E99 WeakPolarHBondContact CA-OE1 3.25Å; M14-E99 WeakPolarHBondContact CG-OE2 3.38Å; M14-E99 PolarHBondContact N-OE1 3.33Å; M14-E99 VanDerWaalsContact N-OE1 3.14Å; V17-E99 VanDerWaalsContact CG2-OE1 3.31Å; V17-E99 WeakPolarHBondContact CG2-OE1 3.48Å; G95-E99 PolarHBondContact O-N 3.35Å; L96-E99 PolarHBondContact O-N 2.94Å; E99-G101 VanDerWaalsContact C-N 3.31Å; E99-G101 PolarHBondContact O-N 3.5Å; E99-L102 PolarHBondContact O-N 3.04Å; E99-V103 WeakPolarHBondContact O-CB 3.29Å; E99-V103 VanDerWaalsContact O-CG2 3.26Å; E99-V103 WeakPolarHBondContact O-CG2 3.35Å; E99-V103 PolarHBondContact O-N 3.38Å
100V85.1Confident78.9Confident84 Ų8484.7 Ų84.751%0.50946%0.455SS..Hα-helixtrans-63.7-41-179.9176.40000110.5L96 V103 L104L96-V100 WeakPolarHBondContact O-CB 3.37Å; L96-V100 WeakPolarHBondContact O-CG2 3.47Å; L96-V100 PolarHBondContact O-N 3.1Å; V100-V103 PolarHBondContact O-N 3.48Å; V100-L104 HydrophobicContact CG1-CD1 3.68Å; V100-L104 HydrophobicContact CG1-CG 4.09Å; V100-L104 WeakPolarHBondContact O-CB 3.43Å; V100-L104 VanDerWaalsContact O-CG 3.26Å; V100-L104 WeakPolarHBondContact O-CG 3.13Å; V100-L104 PolarHBondContact O-N 3.14Å
101G84.1Confident76.6Confident38 Ų3884 Ų8439%0.39246%0.464SS..Hα-helixtrans-58.4-48.7177.300000112.2A97 M98 E99 W105A97-G101 WeakPolarHBondContact O-CA 3.26Å; A97-G101 PolarHBondContact O-N 3.04Å; M98-G101 PolarHBondContact O-N 3.39Å; E99-G101 VanDerWaalsContact C-N 3.31Å; E99-G101 PolarHBondContact O-N 3.5Å; G101-W105 WeakPolarHBondContact O-CB 3.47Å; G101-W105 PolarHBondContact O-N 2.95Å
102L82.3Confident74Confident97 Ų9787 Ų8751%0.50848%0.48SS..Hα-helixtrans-67.7-40.7178.4-70.1173.9000112.2M98 E99 W105 V106M98-L102 WeakPolarHBondContact O-CB 3.4Å; M98-L102 VanDerWaalsContact O-CG 3.25Å; M98-L102 WeakPolarHBondContact O-CG 3.39Å; M98-L102 PolarHBondContact O-N 3.38Å; E99-L102 PolarHBondContact O-N 3.04Å; L102-W105 PolarHBondContact O-N 3.12Å; L102-V106 WeakPolarHBondContact O-CB 3.4Å; L102-V106 VanDerWaalsContact O-CG2 3.25Å; L102-V106 WeakPolarHBondContact O-CG2 3.35Å; L102-V106 PolarHBondContact O-N 3.13Å
103V80.4Confident71.7Confident60 Ų6092.4 Ų92.436%0.36451%0.513SS..Hα-helixtrans-65.5-42.2178.4171.70000111.5F6 E99 V100 K107F6-V103 HydrophobicContact CZ-CG1 4.05Å; F6-V103 HydrophobicContact CZ-CG2 4.04Å; E99-V103 WeakPolarHBondContact O-CB 3.29Å; E99-V103 VanDerWaalsContact O-CG2 3.26Å; E99-V103 WeakPolarHBondContact O-CG2 3.35Å; E99-V103 PolarHBondContact O-N 3.38Å; V100-V103 PolarHBondContact O-N 3.48Å; V103-K107 WeakPolarHBondContact O-CB 3.48Å; V103-K107 PolarHBondContact O-N 2.96Å; V103-K107 VanDerWaalsContact O-N 3.12Å
104L80Confident69.1Low93 Ų9392.2 Ų92.249%0.48752%0.516SS..Hα-helixtrans-68.2-39.7175.8-70177.6000111.6V100 K107 E108V100-L104 HydrophobicContact CG1-CD1 3.68Å; V100-L104 HydrophobicContact CG1-CG 4.09Å; V100-L104 WeakPolarHBondContact O-CB 3.43Å; V100-L104 VanDerWaalsContact O-CG 3.26Å; V100-L104 WeakPolarHBondContact O-CG 3.13Å; V100-L104 PolarHBondContact O-N 3.14Å; L104-K107 WeakPolarHBondContact O-CB 3.44Å; L104-K107 PolarHBondContact O-N 3.43Å; L104-K107 VanDerWaalsContact O-N 3.08Å; L104-E108 PolarHBondContact O-N 2.96Å
105W76.4Confident66.8Low144 Ų14494.7 Ų94.755%0.54553%0.531SS..Hα-helixtrans-61-45.9176.4-168.466.7000111.5G101 L102 K107 E108 Y109G101-W105 WeakPolarHBondContact O-CB 3.47Å; G101-W105 PolarHBondContact O-N 2.95Å; L102-W105 PolarHBondContact O-N 3.12Å; W105-K107 PolarHBondContact O-N 2.95Å; W105-E108 PolarHBondContact O-N 2.94Å; W105-Y109 AromaticContact CD1-CD2 3.57Å; W105-Y109 AromaticContact CD1-CE2 3.27Å; W105-Y109 HydrophobicContact CD2-CD2 4.38Å; W105-Y109 AromaticContact CE2-CD2 4Å; W105-Y109 AromaticContact CE2-CE2 3.9Å; W105-Y109 HydrophobicContact CG-CD2 4.12Å; W105-Y109 HydrophobicContact CG-CE2 4.23Å; W105-Y109 AromaticContact NE1-CD2 3.47Å; W105-Y109 AromaticContact NE1-CE2 3Å; W105-Y109 AromaticContact NE1-CZ 3.61Å; W105-Y109 WeakPolarHBondContact O-CD2 3.39Å; W105-Y109 PolarHBondContact O-N 3.47Å; W105-Y109 VanDerWaalsContact O-N 3.16Å
106V69.6Low64.3Low69 Ų6998.4 Ų98.442%0.41855%0.551SS.*Hα-helixtrans-62.7-30.7174.9172.20000111.8L102L102-V106 WeakPolarHBondContact O-CB 3.4Å; L102-V106 VanDerWaalsContact O-CG2 3.25Å; L102-V106 WeakPolarHBondContact O-CG2 3.35Å; L102-V106 PolarHBondContact O-N 3.13Å
107K64.8Low61.9Low144 Ų144100.9 Ų100.963%0.62656%0.564SS**Hα-helixtrans-78.2-34.5178.9-171178.9172.9-176.70113.6V103 L104 W105V103-K107 WeakPolarHBondContact O-CB 3.48Å; V103-K107 PolarHBondContact O-N 2.96Å; V103-K107 VanDerWaalsContact O-N 3.12Å; L104-K107 WeakPolarHBondContact O-CB 3.44Å; L104-K107 PolarHBondContact O-N 3.43Å; L104-K107 VanDerWaalsContact O-N 3.08Å; W105-K107 PolarHBondContact O-N 2.95Å
108E58.8Low59.7Low160 Ų160103.4 Ų103.475%0.74856%0.564SS**Hα-helixtrans-78.9-31.7179.6-90.9-178.6156.900113.3L104 W105 D110L104-E108 PolarHBondContact O-N 2.96Å; W105-E108 PolarHBondContact O-N 2.94Å; E108-D110 VanDerWaalsContact C-N 3.27Å; E108-D110 PolarHBondContact O-N 3.28Å; E108-D110 VanDerWaalsContact O-N 3.14Å
109Y52.5Low57.7Low137 Ų137101 Ų10154%0.53755%0.553SS.*  trans-88.750.4-179.2-76.7-96.2000113.2W105 G111W105-Y109 AromaticContact CD1-CD2 3.57Å; W105-Y109 AromaticContact CD1-CE2 3.27Å; W105-Y109 HydrophobicContact CD2-CD2 4.38Å; W105-Y109 AromaticContact CE2-CD2 4Å; W105-Y109 AromaticContact CE2-CE2 3.9Å; W105-Y109 HydrophobicContact CG-CD2 4.12Å; W105-Y109 HydrophobicContact CG-CE2 4.23Å; W105-Y109 AromaticContact NE1-CD2 3.47Å; W105-Y109 AromaticContact NE1-CE2 3Å; W105-Y109 AromaticContact NE1-CZ 3.61Å; W105-Y109 WeakPolarHBondContact O-CD2 3.39Å; W105-Y109 PolarHBondContact O-N 3.47Å; W105-Y109 VanDerWaalsContact O-N 3.16Å; Y109-G111 PolarHBondContact O-N 3.4Å
110D45.2Very low55.8Low118 Ų118104 Ų10463%0.63158%0.577SS**THydrogen-bonded Turntrans-69.830.9175.9-15527.6000113.4E108E108-D110 VanDerWaalsContact C-N 3.27Å; E108-D110 PolarHBondContact O-N 3.28Å; E108-D110 VanDerWaalsContact O-N 3.14Å
111G39.7Very low53.8Low66 Ų66102.6 Ų102.668%0.6857%0.568SS**THydrogen-bonded Turntrans-164.110-166.500000119.2Y109Y109-G111 PolarHBondContact O-N 3.4Å
112V33.7Very low52Low109 Ų109101.4 Ų101.466%0.66156%0.556SS**  trans-125.7112.4172.3-175.90000111.3V114V112-V114 VanDerWaalsContact C-N 3.29Å; V112-V114 HydrophobicContact CG1-CG2 4.41Å; V112-V114 PolarHBondContact O-N 3.11Å
113V38.3Very low50.4Low146 Ų146100.6 Ų100.689%0.88556%0.558SS**  trans-58.876.2177.6-177.50000111.4
114V35.1Very low48.8Very low113 Ų113104.5 Ų104.569%0.68557%0.567SS**SBendtrans-137.995.5162.7-172.30000110.1V112 V116V112-V114 VanDerWaalsContact C-N 3.29Å; V112-V114 HydrophobicContact CG1-CG2 4.41Å; V112-V114 PolarHBondContact O-N 3.11Å; V114-V116 PolarHBondContact O-N 3.24Å
115V41.7Very low47.7Very low137 Ų137102.7 Ų102.783%0.8356%0.556SS**SBendtrans73.3-18.5148.5-174.90000119.8
116V36.5Very low46.8Very low92 Ų92100.5 Ų100.556%0.55855%0.554SS**  trans-147.494.4166.6-128.80000114.1V114 F118V114-V116 PolarHBondContact O-N 3.24Å; V116-F118 HydrophobicContact CB-CD2 3.76Å; V116-F118 HydrophobicContact CB-CE2 3.52Å; V116-F118 HydrophobicContact CB-CZ 4.28Å; V116-F118 HydrophobicContact CG1-CD2 3.58Å; V116-F118 HydrophobicContact CG1-CE1 4.06Å; V116-F118 HydrophobicContact CG1-CE2 2.99Å; V116-F118 HydrophobicContact CG1-CG 4.35Å; V116-F118 HydrophobicContact CG1-CZ 3.25Å; V116-F118 HydrophobicContact CG2-CE2 4.3Å; V116-F118 PolarHBondContact O-N 3.45Å
117N37.2Very low46.6Very low110 Ų110106.3 Ų106.359%0.58857%0.57SS**  trans-82.594.5173.1-173.1-11.1000109.5
118F43.6Very low46.9Very low118 Ų118107.9 Ų107.952%0.51858%0.58SS.*  trans-99.6-9.8-179-79.1-62.4000115.1V116 G122V116-F118 HydrophobicContact CB-CD2 3.76Å; V116-F118 HydrophobicContact CB-CE2 3.52Å; V116-F118 HydrophobicContact CB-CZ 4.28Å; V116-F118 HydrophobicContact CG1-CD2 3.58Å; V116-F118 HydrophobicContact CG1-CE1 4.06Å; V116-F118 HydrophobicContact CG1-CE2 2.99Å; V116-F118 HydrophobicContact CG1-CG 4.35Å; V116-F118 HydrophobicContact CG1-CZ 3.25Å; V116-F118 HydrophobicContact CG2-CE2 4.3Å; V116-F118 PolarHBondContact O-N 3.45Å; F118-G122 VanDerWaalsContact O-CA 3.3Å; F118-G122 WeakPolarHBondContact O-CA 3.27Å; F118-G122 PolarHBondContact O-N 3.14Å
119N44.2Very low47.3Very low63 Ų63103 Ų10334%0.33757%0.573SS.*SBendtrans-101.5-29.9-163.4-1229000115.5
120S41.9Very low48Very low87 Ų87106.1 Ų106.161%0.60859%0.592SS**SBendtrans-90.6-10.5178.768.80000114.2
121V44.1Very low49.2Very low53 Ų53103.4 Ų103.432%0.32159%0.593SS.*SBendtrans-132.35.5-175.9-146.30000112.7S123 W124V121-S123 PolarHBondContact O-N 3.41Å; V121-W124 HydrophobicContact CB-CD2 4.18Å; V121-W124 HydrophobicContact CB-CG 4.2Å; V121-W124 HydrophobicContact CB-CZ2 4.11Å; V121-W124 HydrophobicContact CG1-CB 4.32Å; V121-W124 HydrophobicContact CG1-CD2 3.39Å; V121-W124 HydrophobicContact CG1-CE3 4.1Å; V121-W124 HydrophobicContact CG1-CG 3.5Å; V121-W124 HydrophobicContact CG1-CZ2 3.93Å; V121-W124 HydrophobicContact CG2-CZ2 4.37Å; V121-W124 PolarHBondContact O-N 3.34Å; V121-W124 PolarHBondContact O-NE1 2.91Å
122G45.1Very low50.1Low13 Ų13106.5 Ų106.513%0.13460%0.604CS.*THydrogen-bonded Turntrans-54.30.1-168.100000118.9F118 M125F118-G122 VanDerWaalsContact O-CA 3.3Å; F118-G122 WeakPolarHBondContact O-CA 3.27Å; F118-G122 PolarHBondContact O-N 3.14Å; G122-M125 WeakPolarHBondContact O-CE 3.26Å; G122-M125 WeakPolarHBondContact O-CG 3.29Å
123S49.4Very low51.9Low81 Ų81104.2 Ų104.257%0.56660%0.602SS**THydrogen-bonded Turntrans-89.1-22.9172.283.30000114.7V121 M125V121-S123 PolarHBondContact O-N 3.41Å; S123-M125 PolarHBondContact O-N 3.27Å
124W47.7Very low53.4Low141 Ų141105.9 Ų105.953%0.53461%0.605SS.*  trans-81.636.3-179.674.4-20.2000113.2V121 I126V121-W124 HydrophobicContact CB-CD2 4.18Å; V121-W124 HydrophobicContact CB-CG 4.2Å; V121-W124 HydrophobicContact CB-CZ2 4.11Å; V121-W124 HydrophobicContact CG1-CB 4.32Å; V121-W124 HydrophobicContact CG1-CD2 3.39Å; V121-W124 HydrophobicContact CG1-CE3 4.1Å; V121-W124 HydrophobicContact CG1-CG 3.5Å; V121-W124 HydrophobicContact CG1-CZ2 3.93Å; V121-W124 HydrophobicContact CG2-CZ2 4.37Å; V121-W124 PolarHBondContact O-N 3.34Å; V121-W124 PolarHBondContact O-NE1 2.91Å; W124-I126 PolarHBondContact O-N 3.22Å; W124-I126 VanDerWaalsContact O-N 3.08Å
125M55.4Low55.5Low55 Ų55106.1 Ų106.127%0.27160%0.601SS.*  trans-67.6-9.6-176.7-62.6-171-179.600113.2L5 F46 G122 S123L5-M125 HydrophobicContact CB-SD 3.82Å; L5-M125 HydrophobicContact CD1-CB 4.12Å; L5-M125 HydrophobicContact CD1-SD 3.9Å; F46-M125 HydrophobicContact CE1-CB 4.37Å; G122-M125 WeakPolarHBondContact O-CE 3.26Å; G122-M125 WeakPolarHBondContact O-CG 3.29Å; S123-M125 PolarHBondContact O-N 3.27Å
126I58.7Low57.4Low99 Ų99106.6 Ų106.651%0.50859%0.588SS.*  trans-103102.2168.3-58.3170.9000106W124 E128W124-I126 PolarHBondContact O-N 3.22Å; W124-I126 VanDerWaalsContact O-N 3.08Å; I126-E128 VanDerWaalsContact CG2-O 3.3Å; I126-E128 WeakPolarHBondContact CG2-O 3.29Å
127Y64.1Low59.7Low190 Ų190110 Ų11075%0.74560%0.598SS**SBendtrans-64.9-55.7-175.4-72-80000111.8
128E70.8Confident61.9Low177 Ų177106.5 Ų106.583%0.82758%0.579SS**SBendtrans-112.8130.1172.1-70-174.1166.100108.5I126I126-E128 VanDerWaalsContact CG2-O 3.3Å; I126-E128 WeakPolarHBondContact CG2-O 3.29Å
129G68.5Low64Low59 Ų59103.9 Ų103.961%0.60857%0.574SS**  trans-68.2165.6176.400000111.6G131G129-G131 PolarHBondContact O-N 2.89Å
130E66.3Low66.2Low201 Ų201105.2 Ų105.294%0.93958%0.58SS**  trans-56111170.761-172.4-177.600108.8
131G70.2Confident68.4Low62 Ų62103.5 Ų103.564%0.63958%0.576SS**  trans-61.5177.4176.700000111.1G129 G133G129-G131 PolarHBondContact O-N 2.89Å; G131-G133 PolarHBondContact O-N 2.9Å
132S59.9Low70.5Confident131 Ų131102.5 Ų102.592%0.91657%0.573SS**SBendtrans-72.721.2177.457.60000114.5
133G70.1Confident72.7Confident60 Ų60103.5 Ų103.562%0.61958%0.584SS**  trans-66.8135-179.900000111.6G131 I135G131-G133 PolarHBondContact O-N 2.9Å; G133-I135 PolarHBondContact O-N 2.94Å
134L71.8Confident74.7Confident182 Ų182101.3 Ų101.395%0.95357%0.571SS**SBendtrans-71.7-13.4176.5-65.7174.4000113.1
135I78.9Confident76.9Confident118 Ų11898 Ų9861%0.60556%0.563SS**SBendtrans-130.8135.4-171.3-41.6172.5000109.8G133 I140G133-I135 PolarHBondContact O-N 2.94Å; I135-I140 HydrophobicContact CB-CD1 3.48Å; I135-I140 VanDerWaalsContact CB-CD1 3.48Å; I135-I140 HydrophobicContact CB-CG1 4.42Å; I135-I140 HydrophobicContact CD1-CD1 4.12Å; I135-I140 HydrophobicContact CG1-CD1 4.4Å; I135-I140 HydrophobicContact CG2-CD1 3.17Å; I135-I140 HydrophobicContact CG2-CG1 3.57Å
136R81.4Confident78.6Confident146 Ų146103.3 Ų103.355%0.55158%0.581SS**  trans-71.5143.6174.3-64.8176.670.9177.26.3110.7G47 P139G47-R136 PolarHBondContact O-NH2 3.28Å; R136-P139 WeakPolarHBondContact O-CD 3.49Å
137E84.2Confident80.2Confident164 Ų164104.6 Ų104.677%0.76659%0.589SS**Hα-helixtrans-69-43.5-170.9-59.5-178.3177.100113.1I140 G141E137-I140 PolarHBondContact O-N 3.13Å; E137-G141 PolarHBondContact O-N 3.18Å
138D84.1Confident81.4Confident36 Ų36105.5 Ų105.519%0.19359%0.593CS.*Hα-helixtrans-54.2-53.5-172.5-44.3-32.7000115G48 G49 Y50 M51 I140 G141 A142G48-D138 WeakPolarHBondContact CA-OD2 3.46Å; G49-D138 PolarHBondContact N-OD2 3.31Å; Y50-D138 HydrophobicContact CD1-CB 4.49Å; Y50-D138 PolarHBondContact N-OD2 3.22Å; M51-D138 HydrophobicContact CG-CB 4.29Å; D138-I140 VanDerWaalsContact C-N 3.32Å; D138-I140 PolarHBondContact O-N 3.47Å; D138-G141 PolarHBondContact O-N 2.92Å; D138-A142 WeakPolarHBondContact O-CB 3.39Å; D138-A142 PolarHBondContact O-N 2.93Å
139P86.8Confident82.5Confident64 Ų6497.7 Ų97.742%0.41656%0.56SS.*Hα-helixtrans-69.1-30.4-176.728.2-36.3000112.5R136 G143R136-P139 WeakPolarHBondContact O-CD 3.49Å; P139-G143 PolarHBondContact O-N 2.91Å
140I90.8Very high83.7Confident90 Ų90103.6 Ų103.646%0.46256%0.564SS.*Hα-helixtrans-68.6-46.8176.1-59.2168000109.6I135 E137 D138 A142 G143 A144I135-I140 HydrophobicContact CB-CD1 3.48Å; I135-I140 VanDerWaalsContact CB-CD1 3.48Å; I135-I140 HydrophobicContact CB-CG1 4.42Å; I135-I140 HydrophobicContact CD1-CD1 4.12Å; I135-I140 HydrophobicContact CG1-CD1 4.4Å; I135-I140 HydrophobicContact CG2-CD1 3.17Å; I135-I140 HydrophobicContact CG2-CG1 3.57Å; E137-I140 PolarHBondContact O-N 3.13Å; D138-I140 VanDerWaalsContact C-N 3.32Å; D138-I140 PolarHBondContact O-N 3.47Å; I140-A142 VanDerWaalsContact C-N 3.31Å; I140-A142 PolarHBondContact O-N 3.38Å; I140-G143 PolarHBondContact O-N 2.88Å; I140-G143 VanDerWaalsContact O-N 3.13Å; I140-A144 PolarHBondContact O-N 3.38Å
141G88.1Confident85.1Confident51 Ų51103.9 Ų103.953%0.52656%0.557SS.*Hα-helixtrans-59.7-42.217700000112E137 D138 G143 A144E137-G141 PolarHBondContact O-N 3.18Å; D138-G141 PolarHBondContact O-N 2.92Å; G141-G143 PolarHBondContact O-N 3.19Å; G141-A144 PolarHBondContact O-N 2.97Å
142A89.1Confident86.3Confident32 Ų32106.3 Ų106.326%0.26455%0.554SS.*Hα-helixtrans-64-38.5174.200000112.5Y50 D138 I140 L145Y50-A142 HydrophobicContact CD1-CB 3.99Å; Y50-A142 HydrophobicContact CE1-CB 3.38Å; D138-A142 WeakPolarHBondContact O-CB 3.39Å; D138-A142 PolarHBondContact O-N 2.93Å; I140-A142 VanDerWaalsContact C-N 3.31Å; I140-A142 PolarHBondContact O-N 3.38Å; A142-L145 WeakPolarHBondContact O-CB 3.2Å; A142-L145 PolarHBondContact O-N 2.66Å
143G90.1Very high88Confident34 Ų34102.5 Ų102.535%0.35153%0.526SS..Hα-helixtrans-67-35.1176.600000113.6P139 I140 G141 L145 Y146P139-G143 PolarHBondContact O-N 2.91Å; I140-G143 PolarHBondContact O-N 2.88Å; I140-G143 VanDerWaalsContact O-N 3.13Å; G141-G143 PolarHBondContact O-N 3.19Å; G143-L145 PolarHBondContact O-N 3.4Å; G143-Y146 PolarHBondContact O-N 3.39Å; G143-Y146 VanDerWaalsContact O-N 3.1Å
144A92.5Very high89.3Confident35 Ų35104.1 Ų104.129%0.28952%0.523SS..Hα-helixtrans-60.8-16.5177.800000113.5I140 G141 Y146 D147 Y148 G149I140-A144 PolarHBondContact O-N 3.38Å; G141-A144 PolarHBondContact O-N 2.97Å; A144-Y146 PolarHBondContact O-N 3.24Å; A144-D147 PolarHBondContact O-N 3.43Å; A144-Y148 HydrophobicContact CB-CD2 4.15Å; A144-Y148 PolarHBondContact O-N 3.37Å; A144-G149 PolarHBondContact O-N 3.46Å
145L92.3Very high90.5Very high73 Ų7399 Ų9938%0.38250%0.499SS..Hα-helixtrans-61.9-28.3174.7-169.4141.7000112.6A142 G143 G149 V153A142-L145 WeakPolarHBondContact O-CB 3.2Å; A142-L145 PolarHBondContact O-N 2.66Å; G143-L145 PolarHBondContact O-N 3.4Å; L145-G149 CarbonylContact O-C 3.05Å; L145-G149 WeakPolarHBondContact O-CA 3.25Å; L145-G149 PolarHBondContact O-N 2.95Å; L145-V153 HydrophobicContact CD2-CG2 3.28Å; L145-V153 HydrophobicContact CG-CG2 4.33Å
146Y92.2Very high91.3Very high166 Ų16696.6 Ų96.665%0.65149%0.49SS*.Hα-helixtrans-80.8-34178.9-67.8-73000113.4G143 A144 R150 V153G143-Y146 PolarHBondContact O-N 3.39Å; G143-Y146 VanDerWaalsContact O-N 3.1Å; A144-Y146 PolarHBondContact O-N 3.24Å; Y146-R150 WeakPolarHBondContact O-CG 3.49Å; Y146-V153 HydrophobicContact CD1-CG2 4.42Å
147D91.4Very high92Very high126 Ų12691.6 Ų91.667%0.67448%0.484SS*.Hα-helixtrans-87.2-56.6-177.9-68-15000111.5A144 R150A144-D147 PolarHBondContact O-N 3.43Å; D147-R150 WeakPolarHBondContact O-CG 3.26Å
148Y91Very high92.7Very high208 Ų20891.7 Ų91.782%0.81648%0.477SS*.THydrogen-bonded Turntrans-87.2-37.3-178.5-64.1-78.3000111.8A144 R150A144-Y148 HydrophobicContact CB-CD2 4.15Å; A144-Y148 PolarHBondContact O-N 3.37Å; Y148-R150 VanDerWaalsContact C-N 3.25Å; Y148-R150 PolarHBondContact O-N 2.88Å; Y148-R150 VanDerWaalsContact O-N 3.16Å
149G93Very high93.3Very high14 Ų1493.9 Ų93.914%0.14449%0.492CS..  trans-83.324.3-173.500000115.4A144 L145 W151 L152 V153A144-G149 PolarHBondContact O-N 3.46Å; L145-G149 CarbonylContact O-C 3.05Å; L145-G149 WeakPolarHBondContact O-CA 3.25Å; L145-G149 PolarHBondContact O-N 2.95Å; G149-W151 VanDerWaalsContact C-N 3.26Å; G149-W151 PolarHBondContact O-N 3.09Å; G149-W151 VanDerWaalsContact O-N 3.15Å; G149-L152 WeakPolarHBondContact O-CA 3.47Å; G149-L152 WeakPolarHBondContact O-CB 3.47Å; G149-L152 PolarHBondContact O-N 3.33Å; G149-V153 PolarHBondContact O-N 3.11Å
150R93.6Very high93.8Very high183 Ų18397 Ų9769%0.69151%0.505SS*.Hα-helixtrans-53.1-41.6-174.4-64.5176.668.4-176.12.5113.3Y146 D147 Y148 V153 V154Y146-R150 WeakPolarHBondContact O-CG 3.49Å; D147-R150 WeakPolarHBondContact O-CG 3.26Å; Y148-R150 VanDerWaalsContact C-N 3.25Å; Y148-R150 PolarHBondContact O-N 2.88Å; Y148-R150 VanDerWaalsContact O-N 3.16Å; R150-V153 PolarHBondContact O-N 3.38Å; R150-V154 WeakPolarHBondContact O-CG2 3.4Å; R150-V154 PolarHBondContact O-N 3.47Å
151W95.3Very high94.1Very high207 Ų20797.7 Ų97.778%0.78451%0.505SS*.Hα-helixtrans-66.4-39.2176.1-96.2100.4000112.7G149 V153 V154 V155G149-W151 VanDerWaalsContact C-N 3.26Å; G149-W151 PolarHBondContact O-N 3.09Å; G149-W151 VanDerWaalsContact O-N 3.15Å; W151-V153 VanDerWaalsContact C-N 3.32Å; W151-V153 PolarHBondContact O-N 3.43Å; W151-V154 PolarHBondContact O-N 2.95Å; W151-V155 HydrophobicContact CE3-CG2 4.37Å; W151-V155 WeakPolarHBondContact O-CG2 3.34Å; W151-V155 PolarHBondContact O-N 2.97Å
152L95Very high94.6Very high112 Ų11297.7 Ų97.759%0.58649%0.494SS*.Hα-helixtrans-61.8-41.6173.9-88.6167.2000111G149 V154 V155 T156G149-L152 WeakPolarHBondContact O-CA 3.47Å; G149-L152 WeakPolarHBondContact O-CB 3.47Å; G149-L152 PolarHBondContact O-N 3.33Å; L152-V154 PolarHBondContact O-N 3.47Å; L152-V155 PolarHBondContact O-N 3.44Å; L152-T156 WeakPolarHBondContact O-CB 3.38Å; L152-T156 WeakPolarHBondContact O-CG2 3.38Å; L152-T156 PolarHBondContact O-N 2.92Å; L152-T156 PolarHBondContact O-OG1 3.18Å
153V95.9Very high94.9Very high52 Ų5297.4 Ų97.432%0.31549%0.494SS..Hα-helixtrans-60.2-45.6175.2177.40000111.5L145 Y146 G149 R150 W151 V155 T156 G157L145-V153 HydrophobicContact CD2-CG2 3.28Å; L145-V153 HydrophobicContact CG-CG2 4.33Å; Y146-V153 HydrophobicContact CD1-CG2 4.42Å; G149-V153 PolarHBondContact O-N 3.11Å; R150-V153 PolarHBondContact O-N 3.38Å; W151-V153 VanDerWaalsContact C-N 3.32Å; W151-V153 PolarHBondContact O-N 3.43Å; V153-V155 PolarHBondContact O-N 3.4Å; V153-T156 PolarHBondContact O-OG1 3.27Å; V153-G157 PolarHBondContact O-N 2.83Å
154V97.1Very high95.3Very high93 Ų9399.9 Ų99.956%0.56450%0.502SS*.Hα-helixtrans-62.3-45.4179.6172.30000110.5R150 W151 L152 W158R150-V154 WeakPolarHBondContact O-CG2 3.4Å; R150-V154 PolarHBondContact O-N 3.47Å; W151-V154 PolarHBondContact O-N 2.95Å; L152-V154 PolarHBondContact O-N 3.47Å; V154-W158 VanDerWaalsContact O-CB 3.23Å; V154-W158 WeakPolarHBondContact O-CB 3.37Å; V154-W158 PolarHBondContact O-N 3.22Å
155V97.8Very high95.4Very high75 Ų75104.1 Ų104.146%0.45551%0.512SS..Hα-helixtrans-67.5-46.8-179.4175.10000111.4W151 L152 V153 W158 T159W151-V155 HydrophobicContact CE3-CG2 4.37Å; W151-V155 WeakPolarHBondContact O-CG2 3.34Å; W151-V155 PolarHBondContact O-N 2.97Å; L152-V155 PolarHBondContact O-N 3.44Å; V153-V155 PolarHBondContact O-N 3.4Å; V155-W158 PolarHBondContact O-N 3.38Å; V155-T159 HydrophobicContact CG1-CG2 4.41Å; V155-T159 WeakPolarHBondContact O-CG2 3.44Å; V155-T159 PolarHBondContact O-N 3.08Å; V155-T159 PolarHBondContact O-OG1 3.05Å
156T95.7Very high95.7Very high68 Ų68104.7 Ų104.742%0.41751%0.514SS..Hα-helixtrans-68.1-37.4-179.856.50000112.5L152 V153 W158 T159 L160L152-T156 WeakPolarHBondContact O-CB 3.38Å; L152-T156 WeakPolarHBondContact O-CG2 3.38Å; L152-T156 PolarHBondContact O-N 2.92Å; L152-T156 PolarHBondContact O-OG1 3.18Å; V153-T156 PolarHBondContact O-OG1 3.27Å; T156-W158 VanDerWaalsContact C-N 3.34Å; T156-T159 WeakPolarHBondContact CA-OG1 3.24Å; T156-T159 PolarHBondContact O-OG1 2.84Å; T156-L160 WeakPolarHBondContact O-CG 3.12Å; T156-L160 PolarHBondContact O-N 3.3Å; T156-L160 VanDerWaalsContact O-N 3.15Å
157G96.9Very high95.8Very high40 Ų40101.4 Ų101.441%0.41251%0.511SS..Hα-helixtrans-63-42.2172.500000111.7V153 F161V153-G157 PolarHBondContact O-N 2.83Å; G157-F161 WeakPolarHBondContact O-CB 3.16Å; G157-F161 PolarHBondContact O-N 3.44Å
158W97.6Very high96Very high166 Ų166100 Ų10063%0.62950%0.503SS*.Hα-helixtrans-67.3-42.1178.1-169.9-97.6000112.7V154 V155 T156 L160 F161 V162V154-W158 VanDerWaalsContact O-CB 3.23Å; V154-W158 WeakPolarHBondContact O-CB 3.37Å; V154-W158 PolarHBondContact O-N 3.22Å; V155-W158 PolarHBondContact O-N 3.38Å; T156-W158 VanDerWaalsContact C-N 3.34Å; W158-L160 PolarHBondContact O-N 2.9Å; W158-F161 HydrophobicContact CE3-CD1 4.5Å; W158-F161 HydrophobicContact CZ3-CD1 4.43Å; W158-F161 PolarHBondContact O-N 2.74Å; W158-V162 HydrophobicContact CD2-CG2 4.42Å; W158-V162 HydrophobicContact CG-CG2 4.45Å; W158-V162 HydrophobicContact CZ2-CG2 4.35Å; W158-V162 WeakPolarHBondContact O-CG2 3.33Å; W158-V162 PolarHBondContact O-N 3.34Å
159T97.8Very high96.3Very high83 Ų8397.1 Ų97.151%0.50950%0.497SS..Hα-helixtrans-64.8-39.6178.555.90000111.9V155 T156 G163V155-T159 HydrophobicContact CG1-CG2 4.41Å; V155-T159 WeakPolarHBondContact O-CG2 3.44Å; V155-T159 PolarHBondContact O-N 3.08Å; V155-T159 PolarHBondContact O-OG1 3.05Å; T156-T159 WeakPolarHBondContact CA-OG1 3.24Å; T156-T159 PolarHBondContact O-OG1 2.84Å; T159-G163 WeakPolarHBondContact O-CA 3.48Å; T159-G163 PolarHBondContact O-N 3.12Å
160L96.1Very high96.4Very high129 Ų129102.3 Ų102.368%0.67552%0.52SS*.Hα-helixtrans-66.5-42.3174-69.8176.3000111.8T156 W158 G163 V164T156-L160 WeakPolarHBondContact O-CG 3.12Å; T156-L160 PolarHBondContact O-N 3.3Å; T156-L160 VanDerWaalsContact O-N 3.15Å; W158-L160 PolarHBondContact O-N 2.9Å; L160-G163 PolarHBondContact O-N 2.72Å; L160-V164 PolarHBondContact O-N 2.79Å; L160-V164 VanDerWaalsContact O-N 3.11Å
161F97.7Very high96.3Very high105 Ų10596.8 Ų96.846%0.46151%0.513SS..Hα-helixtrans-59.9-50.9177.4179.3-107.6000111.8G157 W158 G163 V164 Y165G157-F161 WeakPolarHBondContact O-CB 3.16Å; G157-F161 PolarHBondContact O-N 3.44Å; W158-F161 HydrophobicContact CE3-CD1 4.5Å; W158-F161 HydrophobicContact CZ3-CD1 4.43Å; W158-F161 PolarHBondContact O-N 2.74Å; F161-G163 VanDerWaalsContact C-N 3.3Å; F161-G163 PolarHBondContact O-N 2.94Å; F161-V164 PolarHBondContact O-N 3.16Å; F161-Y165 HydrophobicContact CD1-CD2 4.46Å; F161-Y165 HydrophobicContact CD1-CE2 4Å; F161-Y165 HydrophobicContact CD2-CE2 4.14Å; F161-Y165 HydrophobicContact CE1-CD2 4.31Å; F161-Y165 AromaticContact CE1-CE2 3.53Å; F161-Y165 HydrophobicContact CE1-CE2 3.53Å; F161-Y165 AromaticContact CE2-CE2 3.67Å; F161-Y165 HydrophobicContact CE2-CE2 3.67Å; F161-Y165 HydrophobicContact CG-CE2 4.3Å; F161-Y165 HydrophobicContact CZ-CD2 4.49Å; F161-Y165 AromaticContact CZ-CE2 3.37Å; F161-Y165 HydrophobicContact CZ-CE2 3.37Å; F161-Y165 AromaticContact CZ-CZ 3.89Å; F161-Y165 WeakPolarHBondContact CZ-OH 3.05Å; F161-Y165 VanDerWaalsContact O-CD2 3.26Å; F161-Y165 WeakPolarHBondContact O-CD2 3.37Å
162V97.9Very high96.2Very high50 Ų5097.2 Ų97.230%0.30352%0.515SS..Hα-helixtrans-65.4-36.6176.3178.20000111W158 V164 Y165 I166W158-V162 HydrophobicContact CD2-CG2 4.42Å; W158-V162 HydrophobicContact CG-CG2 4.45Å; W158-V162 HydrophobicContact CZ2-CG2 4.35Å; W158-V162 WeakPolarHBondContact O-CG2 3.33Å; W158-V162 PolarHBondContact O-N 3.34Å; V162-V164 VanDerWaalsContact C-N 3.27Å; V162-V164 PolarHBondContact O-N 2.9Å; V162-Y165 PolarHBondContact O-N 3.28Å; V162-Y165 VanDerWaalsContact O-N 3.08Å; V162-I166 HydrophobicContact CG1-CD1 3.8Å; V162-I166 HydrophobicContact CG1-CG1 4.13Å; V162-I166 WeakPolarHBondContact O-CG1 3.49Å; V162-I166 PolarHBondContact O-N 3.08Å
163G97Very high95.7Very high26 Ų2695.2 Ų95.227%0.26852%0.521SS..Hα-helixtrans-55.2-39.3175.800000113.3T159 L160 F161 I166 V167T159-G163 WeakPolarHBondContact O-CA 3.48Å; T159-G163 PolarHBondContact O-N 3.12Å; L160-G163 PolarHBondContact O-N 2.72Å; F161-G163 VanDerWaalsContact C-N 3.3Å; F161-G163 PolarHBondContact O-N 2.94Å; G163-I166 PolarHBondContact O-N 3.12Å; G163-V167 WeakPolarHBondContact O-CG2 3.43Å; G163-V167 PolarHBondContact O-N 3.48Å
164V96.7Very high94Very high87 Ų87102.9 Ų102.953%0.52756%0.561SS.*Hα-helixtrans-62-46.2174.8174.10000111.4L160 F161 V162 V167 I168L160-V164 PolarHBondContact O-N 2.79Å; L160-V164 VanDerWaalsContact O-N 3.11Å; F161-V164 PolarHBondContact O-N 3.16Å; V162-V164 VanDerWaalsContact C-N 3.27Å; V162-V164 PolarHBondContact O-N 2.9Å; V164-V167 PolarHBondContact O-N 3.26Å; V164-I168 HydrophobicContact CG1-CD1 3.83Å; V164-I168 VanDerWaalsContact O-CG1 3.32Å; V164-I168 WeakPolarHBondContact O-CG1 3.29Å; V164-I168 PolarHBondContact O-N 3.14Å
165Y96.2Very high93.8Very high123 Ų123103.4 Ų103.448%0.48256%0.56SS.*Hα-helixtrans-63.5-42.6177.6-70.2-76000112.2F161 V162 V167 I168 E169F161-Y165 HydrophobicContact CD1-CD2 4.46Å; F161-Y165 HydrophobicContact CD1-CE2 4Å; F161-Y165 HydrophobicContact CD2-CE2 4.14Å; F161-Y165 HydrophobicContact CE1-CD2 4.31Å; F161-Y165 AromaticContact CE1-CE2 3.53Å; F161-Y165 HydrophobicContact CE1-CE2 3.53Å; F161-Y165 AromaticContact CE2-CE2 3.67Å; F161-Y165 HydrophobicContact CE2-CE2 3.67Å; F161-Y165 HydrophobicContact CG-CE2 4.3Å; F161-Y165 HydrophobicContact CZ-CD2 4.49Å; F161-Y165 AromaticContact CZ-CE2 3.37Å; F161-Y165 HydrophobicContact CZ-CE2 3.37Å; F161-Y165 AromaticContact CZ-CZ 3.89Å; F161-Y165 WeakPolarHBondContact CZ-OH 3.05Å; F161-Y165 VanDerWaalsContact O-CD2 3.26Å; F161-Y165 WeakPolarHBondContact O-CD2 3.37Å; V162-Y165 PolarHBondContact O-N 3.28Å; V162-Y165 VanDerWaalsContact O-N 3.08Å; Y165-V167 VanDerWaalsContact C-N 3.33Å; Y165-V167 PolarHBondContact O-N 3.47Å; Y165-I168 PolarHBondContact O-N 3.33Å; Y165-E169 PolarHBondContact O-N 3.04Å
166I97.2Very high93.6Very high86 Ų86104.9 Ų104.944%0.44157%0.566SS.*Hα-helixtrans-57-49.1176.9-68.3168.9000110.2V162 G163 I168 E169 I170V162-I166 HydrophobicContact CG1-CD1 3.8Å; V162-I166 HydrophobicContact CG1-CG1 4.13Å; V162-I166 WeakPolarHBondContact O-CG1 3.49Å; V162-I166 PolarHBondContact O-N 3.08Å; G163-I166 PolarHBondContact O-N 3.12Å; I166-I168 VanDerWaalsContact C-N 3.33Å; I166-I168 PolarHBondContact O-N 3.4Å; I166-E169 PolarHBondContact O-N 3.36Å; I166-I170 HydrophobicContact CG2-CD1 3.57Å; I166-I170 HydrophobicContact CG2-CG1 4.38Å; I166-I170 WeakPolarHBondContact O-CB 3.26Å; I166-I170 VanDerWaalsContact O-CG1 3.23Å; I166-I170 WeakPolarHBondContact O-CG1 3.4Å; I166-I170 PolarHBondContact O-N 2.81Å
167V95.6Very high93.5Very high97 Ų97106.9 Ų106.959%0.58857%0.574SS**Hα-helixtrans-62.9-39.7-180173.80000111.4G163 V164 Y165 A171G163-V167 WeakPolarHBondContact O-CG2 3.43Å; G163-V167 PolarHBondContact O-N 3.48Å; V164-V167 PolarHBondContact O-N 3.26Å; Y165-V167 VanDerWaalsContact C-N 3.33Å; Y165-V167 PolarHBondContact O-N 3.47Å; V167-A171 WeakPolarHBondContact O-CB 3.3Å; V167-A171 PolarHBondContact O-N 2.94Å
168I95.9Very high93.3Very high96 Ų96110.9 Ų110.949%0.49258%0.584SS.*Hα-helixtrans-65.6-45.5177.2-68.3167.7000111.5V164 Y165 I166 A171 R172V164-I168 HydrophobicContact CG1-CD1 3.83Å; V164-I168 VanDerWaalsContact O-CG1 3.32Å; V164-I168 WeakPolarHBondContact O-CG1 3.29Å; V164-I168 PolarHBondContact O-N 3.14Å; Y165-I168 PolarHBondContact O-N 3.33Å; I166-I168 VanDerWaalsContact C-N 3.33Å; I166-I168 PolarHBondContact O-N 3.4Å; I168-A171 PolarHBondContact O-N 3.42Å; I168-R172 WeakPolarHBondContact O-CB 3.3Å; I168-R172 PolarHBondContact O-N 2.66Å
169E95.9Very high93Very high147 Ų147107.4 Ų107.469%0.68758%0.581SS**Hα-helixtrans-65.2-39.6179.6-74.4-174172.800111.9Y165 I166Y165-E169 PolarHBondContact O-N 3.04Å; I166-E169 PolarHBondContact O-N 3.36Å
170I95.1Very high92.7Very high124 Ų124109.1 Ų109.164%0.63659%0.586SS**Hα-helixtrans-65.7-49175.1-66.6169.3000110.5I166 R172 G173I166-I170 HydrophobicContact CG2-CD1 3.57Å; I166-I170 HydrophobicContact CG2-CG1 4.38Å; I166-I170 WeakPolarHBondContact O-CB 3.26Å; I166-I170 VanDerWaalsContact O-CG1 3.23Å; I166-I170 WeakPolarHBondContact O-CG1 3.4Å; I166-I170 PolarHBondContact O-N 2.81Å; I170-R172 VanDerWaalsContact C-N 3.3Å; I170-R172 PolarHBondContact O-N 3.08Å; I170-G173 PolarHBondContact O-N 3.05Å
171A92.5Very high92.5Very high66 Ų66107.6 Ų107.655%0.54558%0.579SS.*Hα-helixtrans-70.3-24.4-176.700000113.4V167 I168 G173V167-A171 WeakPolarHBondContact O-CB 3.3Å; V167-A171 PolarHBondContact O-N 2.94Å; I168-A171 PolarHBondContact O-N 3.42Å; A171-G173 VanDerWaalsContact C-N 3.27Å; A171-G173 PolarHBondContact O-N 3.32Å
172R92.4Very high92.1Very high216 Ų216107.8 Ų107.882%0.81559%0.589SS**Hα-helixtrans-72.1-20.7175.7-174.6175.7-179.5-172.90.8113.1I168 I170 N174I168-R172 WeakPolarHBondContact O-CB 3.3Å; I168-R172 PolarHBondContact O-N 2.66Å; I170-R172 VanDerWaalsContact C-N 3.3Å; I170-R172 PolarHBondContact O-N 3.08Å; R172-N174 PolarHBondContact O-N 2.87Å
173G84.1Confident91.6Very high70 Ų70112.7 Ų112.772%0.72261%0.612SS**THydrogen-bonded Turntrans-77.2-3.8177.700000114.6I170 A171I170-G173 PolarHBondContact O-N 3.05Å; A171-G173 VanDerWaalsContact C-N 3.27Å; A171-G173 PolarHBondContact O-N 3.32Å
174N60.5Low91.1Very high214 Ų214120.5 Ų120.5100%1.14464%0.644SS**  trans-88.10173.1-114.718000112.3R172R172-N174 PolarHBondContact O-N 2.87Å

Retrieved 174 of 174 residues in 166.5 ms (Link to these results)