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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 A0A023R5S7, 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
1M50.3Low77.6Confident202 Ų20283.5 Ų83.5100%0.99544%0.442SS*.  0106.80-80.6-86.8-161.600106.8S123M1-S123 PolarHBondContact O-OG 3.49Å
2M60Low78.7Confident132 Ų13279.7 Ų79.765%0.6542%0.421SS*.  cis-159.9144-6.5-166.5-179.8-65.700106.4A4M2-A4 PolarHBondContact O-N 3.42Å
3Y68.8Low79.6Confident150 Ų15078.5 Ų78.559%0.58842%0.419SS*.THydrogen-bonded Turntrans-61.227.7175.2-66.8-87.8000113.8F6 L7Y3-F6 HydrophobicContact CD1-CD1 4.42Å; Y3-F6 PolarHBondContact O-N 3.39Å; Y3-L7 WeakPolarHBondContact O-CB 3.3Å; Y3-L7 VanDerWaalsContact O-CG 3.28Å; Y3-L7 WeakPolarHBondContact O-CG 3.5Å; Y3-L7 PolarHBondContact O-N 2.89Å
4A76.6Confident80.2Confident44 Ų4479 Ų7936%0.36442%0.419SS..Hα-helixtrans-61.4-48.4-171.400000112.2M2 F6 L7 L8M2-A4 PolarHBondContact O-N 3.42Å; A4-F6 VanDerWaalsContact C-N 3.34Å; A4-F6 PolarHBondContact O-N 2.93Å; A4-L7 PolarHBondContact O-N 3.41Å; A4-L8 WeakPolarHBondContact O-CB 3.47Å; A4-L8 VanDerWaalsContact O-CG 3.29Å; A4-L8 WeakPolarHBondContact O-CG 3.21Å; A4-L8 PolarHBondContact O-N 2.91Å
5L81.6Confident80.9Confident33 Ų3374.4 Ų74.417%0.17340%0.398CS..Hα-helixtrans-65.2-38.8176.2-73.6177.4000112.2L8 S9 N45 F46 M125L5-L8 HydrophobicContact CD2-CD1 4.41Å; L5-L8 PolarHBondContact O-N 3.22Å; L5-S9 WeakPolarHBondContact O-CB 3.27Å; L5-S9 PolarHBondContact O-N 3.25Å; L5-S9 PolarHBondContact O-OG 3.08Å; L5-N45 HydrophobicContact CD2-CB 3.59Å; L5-F46 HydrophobicContact CD1-CE1 3.92Å; L5-F46 HydrophobicContact CD1-CE2 4.42Å; L5-F46 HydrophobicContact CD1-CZ 3.76Å; L5-F46 HydrophobicContact CD2-CE2 4.45Å; L5-M125 HydrophobicContact CB-SD 3.87Å; L5-M125 HydrophobicContact CD1-CB 4.28Å; L5-M125 HydrophobicContact CD1-SD 3.93Å
6F82.3Confident81.4Confident78 Ų7875.7 Ų75.734%0.34240%0.399SS..Hα-helixtrans-63.1-47.7175.1178.4-102.1000111.1Y3 A4 L8 S9 V10 V103Y3-F6 HydrophobicContact CD1-CD1 4.42Å; Y3-F6 PolarHBondContact O-N 3.39Å; A4-F6 VanDerWaalsContact C-N 3.34Å; A4-F6 PolarHBondContact O-N 2.93Å; F6-L8 VanDerWaalsContact C-N 3.34Å; F6-L8 PolarHBondContact O-N 2.98Å; F6-S9 WeakPolarHBondContact CA-OG 3.38Å; F6-S9 PolarHBondContact O-N 3.45Å; F6-S9 VanDerWaalsContact O-N 3.15Å; F6-S9 PolarHBondContact O-OG 3.29Å; F6-V10 HydrophobicContact CD1-CG2 4.45Å; F6-V10 HydrophobicContact CE1-CG2 4.07Å; F6-V10 HydrophobicContact CE2-CG2 4.46Å; F6-V10 HydrophobicContact CZ-CG2 4.08Å; F6-V10 WeakPolarHBondContact O-CG2 3.23Å; F6-V10 PolarHBondContact O-N 2.95Å; F6-V103 HydrophobicContact CZ-CG1 4.04Å; F6-V103 HydrophobicContact CZ-CG2 4.04Å
7L85.2Confident81.9Confident111 Ų11172.6 Ų72.658%0.58138%0.384SS*.Hα-helixtrans-62.4-39175.9-70.7173.3000112.4Y3 A4 V10 G11Y3-L7 WeakPolarHBondContact O-CB 3.3Å; Y3-L7 VanDerWaalsContact O-CG 3.28Å; Y3-L7 WeakPolarHBondContact O-CG 3.5Å; Y3-L7 PolarHBondContact O-N 2.89Å; A4-L7 PolarHBondContact O-N 3.41Å; L7-V10 PolarHBondContact O-N 3.42Å; L7-G11 PolarHBondContact O-N 3.34Å
8L86.8Confident82.1Confident46 Ų4668.9 Ų68.924%0.24137%0.366CS..Hα-helixtrans-63.6-41.8173.4-75.6165.5000111.5A4 L5 F6 G11 L12 V38 V41 I42A4-L8 WeakPolarHBondContact O-CB 3.47Å; A4-L8 VanDerWaalsContact O-CG 3.29Å; A4-L8 WeakPolarHBondContact O-CG 3.21Å; A4-L8 PolarHBondContact O-N 2.91Å; L5-L8 HydrophobicContact CD2-CD1 4.41Å; L5-L8 PolarHBondContact O-N 3.22Å; F6-L8 VanDerWaalsContact C-N 3.34Å; F6-L8 PolarHBondContact O-N 2.98Å; L8-G11 PolarHBondContact O-N 3.5Å; L8-L12 PolarHBondContact O-N 3.03Å; L8-V38 HydrophobicContact CB-CG1 4.38Å; L8-V38 HydrophobicContact CD2-CG1 4.06Å; L8-V38 VanDerWaalsContact O-CG1 3.26Å; L8-V38 WeakPolarHBondContact O-CG1 3.31Å; L8-V41 HydrophobicContact CD1-CG1 3.92Å; L8-V41 HydrophobicContact CD2-CG1 4.19Å; L8-I42 HydrophobicContact CB-CD1 4.15Å; L8-I42 HydrophobicContact CB-CG1 3.76Å; L8-I42 HydrophobicContact CD1-CG1 4.47Å
9S85.3Confident82.3Confident48 Ų4869.4 Ų69.434%0.33636%0.364SS..Hα-helixtrans-63.7-41.6175.970.10000112L5 F6 G11 L12 V13L5-S9 WeakPolarHBondContact O-CB 3.27Å; L5-S9 PolarHBondContact O-N 3.25Å; L5-S9 PolarHBondContact O-OG 3.08Å; F6-S9 WeakPolarHBondContact CA-OG 3.38Å; F6-S9 PolarHBondContact O-N 3.45Å; F6-S9 VanDerWaalsContact O-N 3.15Å; F6-S9 PolarHBondContact O-OG 3.29Å; S9-G11 VanDerWaalsContact C-N 3.33Å; S9-G11 PolarHBondContact O-N 3.39Å; S9-L12 WeakPolarHBondContact O-CB 3.48Å; S9-L12 PolarHBondContact O-N 3.37Å; S9-L12 VanDerWaalsContact O-N 3.11Å; S9-V13 WeakPolarHBondContact O-CG2 3.36Å; S9-V13 PolarHBondContact O-N 3.01Å
10V88Confident82.6Confident43 Ų4369.6 Ų69.626%0.26137%0.372SS..Hα-helixtrans-60.8-44.2172.4173.40000110.3F6 L7 L12 V13 M14F6-V10 HydrophobicContact CD1-CG2 4.45Å; F6-V10 HydrophobicContact CE1-CG2 4.07Å; F6-V10 HydrophobicContact CE2-CG2 4.46Å; F6-V10 HydrophobicContact CZ-CG2 4.08Å; F6-V10 WeakPolarHBondContact O-CG2 3.23Å; F6-V10 PolarHBondContact O-N 2.95Å; L7-V10 PolarHBondContact O-N 3.42Å; V10-L12 PolarHBondContact O-N 2.99Å; V10-V13 PolarHBondContact O-N 3.3Å; V10-V13 VanDerWaalsContact O-N 3.17Å; V10-M14 HydrophobicContact CG1-CG 4.43Å; V10-M14 WeakPolarHBondContact O-CB 3.41Å; V10-M14 VanDerWaalsContact O-CG 3.31Å; V10-M14 WeakPolarHBondContact O-CG 3.38Å; V10-M14 PolarHBondContact O-N 3.37Å
11G89.2Confident82.6Confident32 Ų3266.6 Ų66.633%0.3336%0.357SS..Hα-helixtrans-59.3-32.6174.300000113.9L7 L8 S9 G15L7-G11 PolarHBondContact O-N 3.34Å; L8-G11 PolarHBondContact O-N 3.5Å; S9-G11 VanDerWaalsContact C-N 3.33Å; S9-G11 PolarHBondContact O-N 3.39Å; G11-G15 PolarHBondContact O-N 3.07Å; G11-G15 VanDerWaalsContact O-N 3.12Å
12L90.8Very high84.2Confident37 Ų3764.9 Ų64.919%0.19434%0.344CS..Hα-helixtrans-70.6-43.5174.6-176.7147.9000111.7L8 S9 V10 M14 G15 F16 V38 I42L8-L12 PolarHBondContact O-N 3.03Å; S9-L12 WeakPolarHBondContact O-CB 3.48Å; S9-L12 PolarHBondContact O-N 3.37Å; S9-L12 VanDerWaalsContact O-N 3.11Å; V10-L12 PolarHBondContact O-N 2.99Å; L12-M14 VanDerWaalsContact C-N 3.33Å; L12-G15 PolarHBondContact O-N 3.27Å; L12-F16 HydrophobicContact CD2-CD2 3.75Å; L12-F16 HydrophobicContact CD2-CE1 4.47Å; L12-F16 HydrophobicContact CD2-CE2 3.29Å; L12-F16 HydrophobicContact CD2-CZ 3.71Å; L12-F16 HydrophobicContact CG-CE2 4.25Å; L12-F16 HydrophobicContact CG-CZ 4.21Å; L12-F16 PolarHBondContact O-N 2.91Å; L12-V38 HydrophobicContact CB-CG1 4.13Å; L12-I42 HydrophobicContact CB-CD1 4.31Å; L12-I42 HydrophobicContact CD1-CD1 3.91Å
13V90.3Very high85Confident65 Ų6559 Ų5939%0.39432%0.316SS..Hα-helixtrans-63.5-41.8175.2-167.10000110.6S9 V10 G15 F16 V17 E99S9-V13 WeakPolarHBondContact O-CG2 3.36Å; S9-V13 PolarHBondContact O-N 3.01Å; V10-V13 PolarHBondContact O-N 3.3Å; V10-V13 VanDerWaalsContact O-N 3.17Å; V13-G15 VanDerWaalsContact C-N 3.27Å; V13-G15 PolarHBondContact O-N 3.2Å; V13-F16 CarbonylContact O-C 3.53Å; V13-F16 WeakPolarHBondContact O-CA 3.33Å; V13-F16 WeakPolarHBondContact O-CB 3.49Å; V13-F16 PolarHBondContact O-N 3.49Å; V13-V17 WeakPolarHBondContact O-CG2 3.33Å; V13-V17 PolarHBondContact O-N 3.45Å; V13-E99 HydrophobicContact CB-CG 4.37Å; V13-E99 WeakPolarHBondContact CB-OE1 3.33Å; V13-E99 HydrophobicContact CG1-CG 3.77Å; V13-E99 WeakPolarHBondContact CG1-OE1 3.46Å
14M88.4Confident85.8Confident85 Ų8552.6 Ų52.642%0.41929%0.293SS..Hα-helixtrans-55.5-41.8173.6-76.9-66-68.100112.6V10 L12 F16 V17 G18 L96 E99V10-M14 HydrophobicContact CG1-CG 4.43Å; V10-M14 WeakPolarHBondContact O-CB 3.41Å; V10-M14 VanDerWaalsContact O-CG 3.31Å; V10-M14 WeakPolarHBondContact O-CG 3.38Å; V10-M14 PolarHBondContact O-N 3.37Å; L12-M14 VanDerWaalsContact C-N 3.33Å; M14-F16 VanDerWaalsContact C-N 3.34Å; M14-V17 PolarHBondContact O-N 3.25Å; M14-G18 PolarHBondContact O-N 3.31Å; M14-L96 HydrophobicContact CE-CD2 3.6Å; M14-L96 HydrophobicContact SD-CD2 3.26Å; M14-L96 WeakPolarHBondContact SD-CD2 3.41Å; M14-E99 WeakPolarHBondContact CG-OE2 3.38Å; M14-E99 PolarHBondContact N-OE1 3.36Å
15G89.8Confident86.2Confident10 Ų1054 Ų5410%0.10330%0.298CS..Hα-helixtrans-63.2-40172.700000112.3G11 L12 V13 G18 F19 V31G11-G15 PolarHBondContact O-N 3.07Å; G11-G15 VanDerWaalsContact O-N 3.12Å; L12-G15 PolarHBondContact O-N 3.27Å; V13-G15 VanDerWaalsContact C-N 3.27Å; V13-G15 PolarHBondContact O-N 3.2Å; G15-G18 PolarHBondContact O-N 3.4Å; G15-F19 PolarHBondContact O-N 3.17Å; G15-F19 VanDerWaalsContact O-N 3.15Å; G15-V31 WeakPolarHBondContact O-CG1 3.37Å
16F88.8Confident86.4Confident95 Ų9556 Ų5642%0.41731%0.308SS..Hα-helixtrans-67.9-39.1177.2-67.5-13000113.8L12 V13 M14 G18 F19 S20L12-F16 HydrophobicContact CD2-CD2 3.75Å; L12-F16 HydrophobicContact CD2-CE1 4.47Å; L12-F16 HydrophobicContact CD2-CE2 3.29Å; L12-F16 HydrophobicContact CD2-CZ 3.71Å; L12-F16 HydrophobicContact CG-CE2 4.25Å; L12-F16 HydrophobicContact CG-CZ 4.21Å; L12-F16 PolarHBondContact O-N 2.91Å; V13-F16 CarbonylContact O-C 3.53Å; V13-F16 WeakPolarHBondContact O-CA 3.33Å; V13-F16 WeakPolarHBondContact O-CB 3.49Å; V13-F16 PolarHBondContact O-N 3.49Å; M14-F16 VanDerWaalsContact C-N 3.34Å; F16-G18 VanDerWaalsContact C-N 3.26Å; F16-G18 PolarHBondContact O-N 3.3Å; F16-F19 HydrophobicContact CB-CD1 4.36Å; F16-F19 HydrophobicContact CB-CE1 3.87Å; F16-F19 AromaticContact CD1-CD1 3.99Å; F16-F19 HydrophobicContact CD1-CD1 3.99Å; F16-F19 AromaticContact CD1-CE1 3.5Å; F16-F19 HydrophobicContact CD1-CE1 3.5Å; F16-F19 HydrophobicContact CE1-CE1 4.3Å; F16-F19 AromaticContact CG-CE1 3.92Å; F16-F19 HydrophobicContact CG-CE1 3.92Å; F16-F19 WeakPolarHBondContact O-CD1 3.48Å; F16-S20 WeakPolarHBondContact O-CB 3.42Å; F16-S20 PolarHBondContact O-N 2.84Å
17V89.8Confident86.6Confident24 Ų2456.3 Ų56.315%0.14531%0.307CS..Hα-helixtrans-59.9-41.9170.5174.70000110.3V13 M14 F19 S20 S21 E99V13-V17 WeakPolarHBondContact O-CG2 3.33Å; V13-V17 PolarHBondContact O-N 3.45Å; M14-V17 PolarHBondContact O-N 3.25Å; V17-F19 PolarHBondContact O-N 3.12Å; V17-S20 PolarHBondContact O-N 2.88Å; V17-S21 PolarHBondContact O-N 2.89Å; V17-S21 VanDerWaalsContact O-N 3.17Å; V17-S21 PolarHBondContact O-OG 3.08Å; V17-E99 VanDerWaalsContact CG2-OE1 3.31Å; V17-E99 WeakPolarHBondContact CG2-OE1 3.47Å
18G85.5Confident86.7Confident5 Ų551.4 Ų51.45%0.05228%0.284CS..Hα-helixtrans-63.8-37.5-178.700000115.2M14 G15 F16 S21 P23M14-G18 PolarHBondContact O-N 3.31Å; G15-G18 PolarHBondContact O-N 3.4Å; F16-G18 VanDerWaalsContact C-N 3.26Å; F16-G18 PolarHBondContact O-N 3.3Å; G18-S21 PolarHBondContact O-OG 3.23Å; G18-P23 WeakPolarHBondContact O-CD 3.24Å; G18-P23 WeakPolarHBondContact O-CG 3.22Å
19F86.1Confident86.8Confident78 Ų7849.6 Ų49.634%0.34228%0.277SS..Hα-helixtrans-87.3-31.3175.690.6-96.7000112.5G15 F16 V17 S21 K22 P23 V31 L32G15-F19 PolarHBondContact O-N 3.17Å; G15-F19 VanDerWaalsContact O-N 3.15Å; F16-F19 HydrophobicContact CB-CD1 4.36Å; F16-F19 HydrophobicContact CB-CE1 3.87Å; F16-F19 AromaticContact CD1-CD1 3.99Å; F16-F19 HydrophobicContact CD1-CD1 3.99Å; F16-F19 AromaticContact CD1-CE1 3.5Å; F16-F19 HydrophobicContact CD1-CE1 3.5Å; F16-F19 HydrophobicContact CE1-CE1 4.3Å; F16-F19 AromaticContact CG-CE1 3.92Å; F16-F19 HydrophobicContact CG-CE1 3.92Å; F16-F19 WeakPolarHBondContact O-CD1 3.48Å; V17-F19 PolarHBondContact O-N 3.12Å; F19-S21 VanDerWaalsContact C-N 3.27Å; F19-S21 PolarHBondContact O-N 3.31Å; F19-K22 PolarHBondContact O-N 2.81Å; F19-K22 VanDerWaalsContact O-N 3.09Å; F19-P23 WeakPolarHBondContact O-CD 3.49Å; F19-V31 HydrophobicContact CB-CB 4.38Å; F19-V31 HydrophobicContact CB-CG1 4.37Å; F19-L32 HydrophobicContact CB-CD2 4.16Å; F19-L32 HydrophobicContact CB-CG 4.19Å; F19-L32 HydrophobicContact CD1-CD2 3.44Å; F19-L32 VanDerWaalsContact CD1-CD2 3.44Å; F19-L32 HydrophobicContact CD1-CG 4.37Å; F19-L32 HydrophobicContact CD2-CD2 4.14Å; F19-L32 HydrophobicContact CE1-CD2 3.84Å; F19-L32 HydrophobicContact CE2-CD2 4.48Å; F19-L32 HydrophobicContact CG-CD2 3.63Å; F19-L32 HydrophobicContact CG-CG 4.14Å; F19-L32 HydrophobicContact CZ-CD2 4.36Å
20S87.8Confident86.9Confident73 Ų7352 Ų5251%0.5129%0.285SS..Hα-helixtrans-71.2-22.8-176.8-175.70000113.1F16 V17 K22F16-S20 WeakPolarHBondContact O-CB 3.42Å; F16-S20 PolarHBondContact O-N 2.84Å; V17-S20 PolarHBondContact O-N 2.88Å; S20-K22 WeakPolarHBondContact O-CG 3.36Å; S20-K22 PolarHBondContact O-N 3.48Å
21S84Confident87.1Confident8 Ų850.8 Ų50.86%0.05628%0.277CS..THydrogen-bonded Turntrans-63.9-0.9168.759.80000113.6V17 G18 F19 S91V17-S21 PolarHBondContact O-N 2.89Å; V17-S21 VanDerWaalsContact O-N 3.17Å; V17-S21 PolarHBondContact O-OG 3.08Å; G18-S21 PolarHBondContact O-OG 3.23Å; F19-S21 VanDerWaalsContact C-N 3.27Å; F19-S21 PolarHBondContact O-N 3.31Å; S21-S91 WeakPolarHBondContact CA-OG 3.49Å; S21-S91 WeakPolarHBondContact CB-OG 3.3Å
22K83.6Confident87.2Confident166 Ų16650.5 Ų50.572%0.72227%0.268SS*.  trans53.951179.2-53.5-172.5-173.3710112.8F19 S20F19-K22 PolarHBondContact O-N 2.81Å; F19-K22 VanDerWaalsContact O-N 3.09Å; S20-K22 WeakPolarHBondContact O-CG 3.36Å; S20-K22 PolarHBondContact O-N 3.48Å
23P76.6Confident87.4Confident9 Ų952.2 Ų52.26%0.05828%0.277CS..  trans-62.7161.2161.934.7-34.9000108.4G18 F19G18-P23 WeakPolarHBondContact O-CD 3.24Å; G18-P23 WeakPolarHBondContact O-CG 3.22Å; F19-P23 WeakPolarHBondContact O-CD 3.49Å
24S84.4Confident87.5Confident15 Ų1553.6 Ų53.611%0.10529%0.285CS..  trans-48.6147.7178.657.40000112.2I26 Y27 G28 E80S24-I26 PolarHBondContact O-N 2.93Å; S24-Y27 PolarHBondContact O-N 3.43Å; S24-Y27 WeakPolarHBondContact OG-CD2 3.48Å; S24-G28 PolarHBondContact O-N 3.29Å; S24-G28 VanDerWaalsContact O-N 3.08Å; S24-E80 PolarHBondContact OG-O 3.45Å
25P85.9Confident87.7Confident73 Ų7349.7 Ų49.747%0.47427%0.266SS..Hα-helixtrans-54.3-26.9-168.3-30.136000115.5G29 F67 T71P25-G29 PolarHBondContact O-N 3.34Å; P25-F67 HydrophobicContact CB-CE1 4.46Å; P25-F67 HydrophobicContact CB-CZ 4.01Å; P25-F67 WeakPolarHBondContact O-CE1 3.47Å; P25-T71 HydrophobicContact CB-CG2 3.38Å; P25-T71 HydrophobicContact CG-CG2 4.45Å
26I86.1Confident87.9Confident76 Ų7649.6 Ų49.639%0.3927%0.266SS..Hα-helixtrans-64.8-49.3176.2-56.8173.7000110.8S24 G29 L30 I75S24-I26 PolarHBondContact O-N 2.93Å; I26-G29 PolarHBondContact O-N 2.71Å; I26-L30 PolarHBondContact O-N 2.71Å; I26-I75 HydrophobicContact CD1-CD1 4.34Å; I26-I75 HydrophobicContact CD1-CG1 4.38Å
27Y86.8Confident88.1Confident83 Ų8348 Ų4833%0.32526%0.264SS..Hα-helixtrans-70.2-38.9177.5-67.6-60.8000111.5S24 G29 L30 V31 E80 W82S24-Y27 PolarHBondContact O-N 3.43Å; S24-Y27 WeakPolarHBondContact OG-CD2 3.48Å; Y27-G29 VanDerWaalsContact C-N 3.26Å; Y27-G29 PolarHBondContact O-N 3.33Å; Y27-L30 HydrophobicContact CD1-CD1 4.37Å; Y27-L30 PolarHBondContact O-N 2.94Å; Y27-V31 WeakPolarHBondContact O-CG2 3.37Å; Y27-V31 PolarHBondContact O-N 2.98Å; Y27-V31 VanDerWaalsContact O-N 3.11Å; Y27-E80 WeakPolarHBondContact CD2-O 3.05Å; Y27-W82 AromaticContact CD1-NE1 3.61Å; Y27-W82 AromaticContact CG-CD1 3.9Å; Y27-W82 AromaticContact CG-NE1 3.56Å
28G86.8Confident88.3Confident8 Ų848.3 Ų48.38%0.08227%0.265CS..Hα-helixtrans-55.6-44.3172.300000111.5S24 L30 V31 L32S24-G28 PolarHBondContact O-N 3.29Å; S24-G28 VanDerWaalsContact O-N 3.08Å; G28-L30 PolarHBondContact O-N 2.95Å; G28-V31 PolarHBondContact O-N 3.1Å; G28-L32 WeakPolarHBondContact O-CB 3.38Å; G28-L32 VanDerWaalsContact O-CG 3.31Å; G28-L32 WeakPolarHBondContact O-CG 3.36Å; G28-L32 PolarHBondContact O-N 2.9Å
29G88.2Confident88.6Confident9 Ų948.7 Ų48.79%0.09327%0.27CS..Hα-helixtrans-58.7-44.617600000113.6P25 I26 Y27 V31 L32 I33 M64P25-G29 PolarHBondContact O-N 3.34Å; I26-G29 PolarHBondContact O-N 2.71Å; Y27-G29 VanDerWaalsContact C-N 3.26Å; Y27-G29 PolarHBondContact O-N 3.33Å; G29-V31 PolarHBondContact O-N 2.96Å; G29-L32 PolarHBondContact O-N 3.26Å; G29-I33 WeakPolarHBondContact O-CG1 3.24Å; G29-I33 PolarHBondContact O-N 3Å; G29-M64 WeakPolarHBondContact O-CE 3.13Å
30L88.7Confident88.9Confident99 Ų9945.3 Ų45.352%0.51826%0.256SS..Hα-helixtrans-61.2-43.8177-67.7175000112.1I26 Y27 G28 I33 V34I26-L30 PolarHBondContact O-N 2.71Å; Y27-L30 HydrophobicContact CD1-CD1 4.37Å; Y27-L30 PolarHBondContact O-N 2.94Å; G28-L30 PolarHBondContact O-N 2.95Å; L30-I33 PolarHBondContact O-N 2.89Å; L30-V34 WeakPolarHBondContact O-CG2 3.46Å; L30-V34 PolarHBondContact O-N 2.9Å; L30-V34 VanDerWaalsContact O-N 3.09Å
31V91.8Very high89.1Confident16 Ų1644.5 Ų44.510%0.09725%0.247CC..Hα-helixtrans-67.7-38.5179-177.70000111.6G15 F19 Y27 G28 G29 I33 V34 S35 W82G15-V31 WeakPolarHBondContact O-CG1 3.37Å; F19-V31 HydrophobicContact CB-CB 4.38Å; F19-V31 HydrophobicContact CB-CG1 4.37Å; Y27-V31 WeakPolarHBondContact O-CG2 3.37Å; Y27-V31 PolarHBondContact O-N 2.98Å; Y27-V31 VanDerWaalsContact O-N 3.11Å; G28-V31 PolarHBondContact O-N 3.1Å; G29-V31 PolarHBondContact O-N 2.96Å; V31-I33 VanDerWaalsContact C-N 3.27Å; V31-I33 PolarHBondContact O-N 2.9Å; V31-V34 PolarHBondContact O-N 3.14Å; V31-S35 WeakPolarHBondContact O-CB 3.49Å; V31-S35 PolarHBondContact O-N 3Å; V31-S35 PolarHBondContact O-OG 3.32Å; V31-W82 HydrophobicContact CG2-CH2 3.42Å; V31-W82 VanDerWaalsContact CG2-CH2 3.42Å; V31-W82 HydrophobicContact CG2-CZ2 3.21Å
32L91.4Very high89.4Confident26 Ų2645.5 Ų45.514%0.13625%0.252CS..Hα-helixtrans-63.5-33.9174.5-72.9178.7000112F19 G28 G29 S35 G36 M64F19-L32 HydrophobicContact CB-CD2 4.16Å; F19-L32 HydrophobicContact CB-CG 4.19Å; F19-L32 HydrophobicContact CD1-CD2 3.44Å; F19-L32 VanDerWaalsContact CD1-CD2 3.44Å; F19-L32 HydrophobicContact CD1-CG 4.37Å; F19-L32 HydrophobicContact CD2-CD2 4.14Å; F19-L32 HydrophobicContact CE1-CD2 3.84Å; F19-L32 HydrophobicContact CE2-CD2 4.48Å; F19-L32 HydrophobicContact CG-CD2 3.63Å; F19-L32 HydrophobicContact CG-CG 4.14Å; F19-L32 HydrophobicContact CZ-CD2 4.36Å; G28-L32 WeakPolarHBondContact O-CB 3.38Å; G28-L32 VanDerWaalsContact O-CG 3.31Å; G28-L32 WeakPolarHBondContact O-CG 3.36Å; G28-L32 PolarHBondContact O-N 2.9Å; G29-L32 PolarHBondContact O-N 3.26Å; L32-S35 VanDerWaalsContact CA-OG 3.31Å; L32-S35 WeakPolarHBondContact CA-OG 3.15Å; L32-S35 PolarHBondContact O-OG 2.98Å; L32-S35 VanDerWaalsContact O-OG 3.13Å; L32-G36 PolarHBondContact O-N 2.88Å; L32-M64 HydrophobicContact CB-CE 3.61Å; L32-M64 HydrophobicContact CB-SD 3.97Å; L32-M64 HydrophobicContact CD1-CE 3.96Å; L32-M64 HydrophobicContact CD1-SD 4.1Å; L32-M64 HydrophobicContact CG-CE 4.44Å
33I93.9Very high89.7Confident73 Ų7340.2 Ų40.237%0.37423%0.231SC..Hα-helixtrans-66.7-48.6173.6-67.1163.7000110.7G29 L30 V31 G36 V37 L60 M64G29-I33 WeakPolarHBondContact O-CG1 3.24Å; G29-I33 PolarHBondContact O-N 3Å; L30-I33 PolarHBondContact O-N 2.89Å; V31-I33 VanDerWaalsContact C-N 3.27Å; V31-I33 PolarHBondContact O-N 2.9Å; I33-G36 PolarHBondContact O-N 3.41Å; I33-V37 WeakPolarHBondContact O-CG2 3.41Å; I33-V37 PolarHBondContact O-N 3.18Å; I33-L60 HydrophobicContact CB-CD2 4.2Å; I33-L60 HydrophobicContact CG1-CD2 4.19Å; I33-L60 HydrophobicContact CG2-CD2 4.21Å; I33-M64 HydrophobicContact CG1-CB 4.49Å; I33-M64 HydrophobicContact CG1-CE 4.43Å; I33-M64 HydrophobicContact CG1-CG 4.46Å
34V93.6Very high90.2Very high94 Ų9443.9 Ų43.957%0.5725%0.249SC*.Hα-helixtrans-61-48.3179.6176.20000111.1L30 V31 G36 V37 V38L30-V34 WeakPolarHBondContact O-CG2 3.46Å; L30-V34 PolarHBondContact O-N 2.9Å; L30-V34 VanDerWaalsContact O-N 3.09Å; V31-V34 PolarHBondContact O-N 3.14Å; V34-G36 VanDerWaalsContact C-N 3.34Å; V34-G36 PolarHBondContact O-N 3.17Å; V34-V37 PolarHBondContact O-N 2.94Å; V34-V38 WeakPolarHBondContact O-CG2 3.49Å; V34-V38 PolarHBondContact O-N 2.9Å
35S93.1Very high90.3Very high3 Ų347.1 Ų47.12%0.02127%0.266CS..Hα-helixtrans-63.8-37177.554.60000112.6V31 L32 V38 G39V31-S35 WeakPolarHBondContact O-CB 3.49Å; V31-S35 PolarHBondContact O-N 3Å; V31-S35 PolarHBondContact O-OG 3.32Å; L32-S35 VanDerWaalsContact CA-OG 3.31Å; L32-S35 WeakPolarHBondContact CA-OG 3.15Å; L32-S35 PolarHBondContact O-OG 2.98Å; L32-S35 VanDerWaalsContact O-OG 3.13Å; S35-V38 PolarHBondContact O-N 3.44Å; S35-G39 PolarHBondContact O-N 3.09Å
36G92.9Very high90.2Very high9 Ų948.8 Ų48.89%0.09327%0.266CS..Hα-helixtrans-63.7-40.7173.400000112.9L32 I33 V34 G39 C40L32-G36 PolarHBondContact O-N 2.88Å; I33-G36 PolarHBondContact O-N 3.41Å; V34-G36 VanDerWaalsContact C-N 3.34Å; V34-G36 PolarHBondContact O-N 3.17Å; G36-G39 PolarHBondContact O-N 3.39Å; G36-C40 PolarHBondContact O-N 3.12Å; G36-C40 PolarHBondContact O-SG 3.04Å
37V94.1Very high90.1Very high62 Ų6246.9 Ų46.938%0.37627%0.265SS..Hα-helixtrans-64.2-45.8174.5173.50000110.8I33 V34 G39 C40 V41 L60I33-V37 WeakPolarHBondContact O-CG2 3.41Å; I33-V37 PolarHBondContact O-N 3.18Å; V34-V37 PolarHBondContact O-N 2.94Å; V37-G39 VanDerWaalsContact C-N 3.3Å; V37-G39 PolarHBondContact O-N 2.94Å; V37-C40 WeakPolarHBondContact O-CB 3.28Å; V37-C40 PolarHBondContact O-N 3.44Å; V37-V41 WeakPolarHBondContact O-CG2 3.44Å; V37-V41 PolarHBondContact O-N 3.37Å; V37-L60 HydrophobicContact CG2-CD1 3.7Å
38V93.7Very high90Very high29 Ų2943.2 Ų43.218%0.17625%0.253CS..Hα-helixtrans-59.2-43175.6175.30000110.7L8 L12 V34 S35 C40 V41 I42L8-V38 HydrophobicContact CB-CG1 4.38Å; L8-V38 HydrophobicContact CD2-CG1 4.06Å; L8-V38 VanDerWaalsContact O-CG1 3.26Å; L8-V38 WeakPolarHBondContact O-CG1 3.31Å; L12-V38 HydrophobicContact CB-CG1 4.13Å; V34-V38 WeakPolarHBondContact O-CG2 3.49Å; V34-V38 PolarHBondContact O-N 2.9Å; S35-V38 PolarHBondContact O-N 3.44Å; V38-C40 PolarHBondContact O-N 3.37Å; V38-V41 PolarHBondContact O-N 2.88Å; V38-I42 HydrophobicContact CG1-CD1 4.21Å; V38-I42 WeakPolarHBondContact O-CG1 3.48Å; V38-I42 PolarHBondContact O-N 3.34Å
39G91.8Very high90Very high14 Ų1443.3 Ų43.314%0.14425%0.253CS..Hα-helixtrans-60-43.6174.400000113.2S35 G36 V37 V41 I42 I43S35-G39 PolarHBondContact O-N 3.09Å; G36-G39 PolarHBondContact O-N 3.39Å; V37-G39 VanDerWaalsContact C-N 3.3Å; V37-G39 PolarHBondContact O-N 2.94Å; G39-V41 VanDerWaalsContact C-N 3.33Å; G39-V41 PolarHBondContact O-N 3.36Å; G39-I42 PolarHBondContact O-N 3.32Å; G39-I43 WeakPolarHBondContact O-CG1 3.48Å; G39-I43 PolarHBondContact O-N 3Å; G39-I43 VanDerWaalsContact O-N 3.11Å
40C92.2Very high90.1Very high7 Ų747.8 Ų47.85%0.04727%0.268CS..Hα-helixtrans-61-43.1174.5-64.80000111.3G36 V37 V38 I42 I43 L44G36-C40 PolarHBondContact O-N 3.12Å; G36-C40 PolarHBondContact O-SG 3.04Å; V37-C40 WeakPolarHBondContact O-CB 3.28Å; V37-C40 PolarHBondContact O-N 3.44Å; V38-C40 PolarHBondContact O-N 3.37Å; C40-I42 VanDerWaalsContact C-N 3.33Å; C40-I42 PolarHBondContact O-N 3.36Å; C40-I43 PolarHBondContact O-N 2.98Å; C40-L44 VanDerWaalsContact O-CG 3.24Å; C40-L44 WeakPolarHBondContact O-CG 3.19Å; C40-L44 PolarHBondContact O-N 3.28Å
41V91.7Very high90.1Very high56 Ų5648.1 Ų48.134%0.33927%0.268SS..Hα-helixtrans-61.2-41.9176.7173.70000110.9L8 V37 V38 G39 I43 L44 N45L8-V41 HydrophobicContact CD1-CG1 3.92Å; L8-V41 HydrophobicContact CD2-CG1 4.19Å; V37-V41 WeakPolarHBondContact O-CG2 3.44Å; V37-V41 PolarHBondContact O-N 3.37Å; V38-V41 PolarHBondContact O-N 2.88Å; G39-V41 VanDerWaalsContact C-N 3.33Å; G39-V41 PolarHBondContact O-N 3.36Å; V41-I43 PolarHBondContact O-N 2.9Å; V41-L44 PolarHBondContact O-N 3.21Å; V41-N45 WeakPolarHBondContact CG1-ND2 3.33Å; V41-N45 PolarHBondContact O-N 3.08Å; V41-N45 VanDerWaalsContact O-N 3.08Å; V41-N45 PolarHBondContact O-ND2 3.11Å
42I90.4Very high90.1Very high28 Ų2847.4 Ų47.414%0.14426%0.264CS..Hα-helixtrans-58.2-48.8176.1-67.3165.2000110.6L8 L12 V38 G39 C40 L44 N45 F46L8-I42 HydrophobicContact CB-CD1 4.15Å; L8-I42 HydrophobicContact CB-CG1 3.76Å; L8-I42 HydrophobicContact CD1-CG1 4.47Å; L12-I42 HydrophobicContact CB-CD1 4.31Å; L12-I42 HydrophobicContact CD1-CD1 3.91Å; V38-I42 HydrophobicContact CG1-CD1 4.21Å; V38-I42 WeakPolarHBondContact O-CG1 3.48Å; V38-I42 PolarHBondContact O-N 3.34Å; G39-I42 PolarHBondContact O-N 3.32Å; C40-I42 VanDerWaalsContact C-N 3.33Å; C40-I42 PolarHBondContact O-N 3.36Å; I42-L44 VanDerWaalsContact C-N 3.34Å; I42-L44 PolarHBondContact O-N 3.2Å; I42-N45 PolarHBondContact O-N 2.93Å; I42-F46 HydrophobicContact CG2-CD2 4.2Å; I42-F46 HydrophobicContact CG2-CE2 3.75Å; I42-F46 WeakPolarHBondContact O-CD2 3.35Å; I42-F46 PolarHBondContact O-N 2.92Å
43I89.6Confident90.1Very high56 Ų5650.9 Ų50.929%0.28728%0.282SS..Hα-helixtrans-63.4-40.6-179.7-60.7165.2000111.2G39 C40 V41 N45 F46 G48 M51 V55G39-I43 WeakPolarHBondContact O-CG1 3.48Å; G39-I43 PolarHBondContact O-N 3Å; G39-I43 VanDerWaalsContact O-N 3.11Å; C40-I43 PolarHBondContact O-N 2.98Å; V41-I43 PolarHBondContact O-N 2.9Å; I43-N45 VanDerWaalsContact C-N 3.29Å; I43-N45 PolarHBondContact O-N 3.27Å; I43-F46 PolarHBondContact O-N 2.98Å; I43-F46 VanDerWaalsContact O-N 3.12Å; I43-G48 WeakPolarHBondContact CG2-O 3.36Å; I43-G48 PolarHBondContact O-N 3.5Å; I43-G48 VanDerWaalsContact O-N 3.1Å; I43-M51 HydrophobicContact CG2-CB 4.08Å; I43-V55 HydrophobicContact CD1-CG2 4.43Å
44L88.2Confident90.1Very high85 Ų8550 Ų5045%0.44528%0.277SS..Hα-helixtrans-63.5-33.8178.5-71173.6000112.7C40 V41 I42 F46 G47C40-L44 VanDerWaalsContact O-CG 3.24Å; C40-L44 WeakPolarHBondContact O-CG 3.19Å; C40-L44 PolarHBondContact O-N 3.28Å; V41-L44 PolarHBondContact O-N 3.21Å; I42-L44 VanDerWaalsContact C-N 3.34Å; I42-L44 PolarHBondContact O-N 3.2Å; L44-F46 PolarHBondContact O-N 3.48Å; L44-G47 PolarHBondContact O-N 3.27Å; L44-G47 VanDerWaalsContact O-N 3.13Å
45N86.8Confident90Very high83 Ų8348.1 Ų48.144%0.44427%0.266SS..Hα-helixtrans-68.2-24176-80.1-78.4000112.9L5 V41 I42 I43 G47L5-N45 HydrophobicContact CD2-CB 3.59Å; V41-N45 WeakPolarHBondContact CG1-ND2 3.33Å; V41-N45 PolarHBondContact O-N 3.08Å; V41-N45 VanDerWaalsContact O-N 3.08Å; V41-N45 PolarHBondContact O-ND2 3.11Å; I42-N45 PolarHBondContact O-N 2.93Å; I43-N45 VanDerWaalsContact C-N 3.29Å; I43-N45 PolarHBondContact O-N 3.27Å; N45-G47 VanDerWaalsContact C-N 3.27Å
46F83.8Confident90Very high108 Ų10852.6 Ų52.647%0.47429%0.286SS..THydrogen-bonded Turntrans-86.78.2173.2-68.1-67.5000113.3L5 I42 I43 L44 G48 M125 I126L5-F46 HydrophobicContact CD1-CE1 3.92Å; L5-F46 HydrophobicContact CD1-CE2 4.42Å; L5-F46 HydrophobicContact CD1-CZ 3.76Å; L5-F46 HydrophobicContact CD2-CE2 4.45Å; I42-F46 HydrophobicContact CG2-CD2 4.2Å; I42-F46 HydrophobicContact CG2-CE2 3.75Å; I42-F46 WeakPolarHBondContact O-CD2 3.35Å; I42-F46 PolarHBondContact O-N 2.92Å; I43-F46 PolarHBondContact O-N 2.98Å; I43-F46 VanDerWaalsContact O-N 3.12Å; L44-F46 PolarHBondContact O-N 3.48Å; F46-G48 VanDerWaalsContact C-N 3.29Å; F46-G48 PolarHBondContact O-N 3.3Å; F46-M125 HydrophobicContact CE1-CB 4.38Å; F46-I126 HydrophobicContact CD1-CG1 4.39Å
47G82.8Confident90Very high36 Ų3657.7 Ų57.737%0.37131%0.31SS..THydrogen-bonded Turntrans81.16-177.700000114.3L44 N45 G49 R136L44-G47 PolarHBondContact O-N 3.27Å; L44-G47 VanDerWaalsContact O-N 3.13Å; N45-G47 VanDerWaalsContact C-N 3.27Å; G47-G49 VanDerWaalsContact C-N 3.29Å; G47-G49 PolarHBondContact O-N 3.07Å; G47-R136 PolarHBondContact O-NH2 3.11Å
48G85.7Confident90Very high7 Ų759.8 Ų59.87%0.07232%0.318CS..  trans-77.861.118000000114I43 F46 G52 D138I43-G48 WeakPolarHBondContact CG2-O 3.36Å; I43-G48 PolarHBondContact O-N 3.5Å; I43-G48 VanDerWaalsContact O-N 3.1Å; F46-G48 VanDerWaalsContact C-N 3.29Å; F46-G48 PolarHBondContact O-N 3.3Å; G48-G52 PolarHBondContact O-N 3.26Å; G48-D138 WeakPolarHBondContact CA-OD2 3.37Å
49G86.9Confident90Very high9 Ų961.6 Ų61.69%0.09332%0.322CS..Hα-helixtrans-60-52.8-174.200000113.5G47 L53 D138G47-G49 VanDerWaalsContact C-N 3.29Å; G47-G49 PolarHBondContact O-N 3.07Å; G49-L53 WeakPolarHBondContact O-CB 3.42Å; G49-L53 VanDerWaalsContact O-CG 3.27Å; G49-L53 WeakPolarHBondContact O-CG 3.41Å; G49-L53 PolarHBondContact O-N 2.98Å; G49-D138 PolarHBondContact N-OD2 3.24Å
50Y89.5Confident89.9Confident104 Ų10462 Ų6241%0.40832%0.321SS..Hα-helixtrans-70.9-41.5-177.8176.2-103.1000111.2L53 I54 D138 A142Y50-L53 PolarHBondContact O-N 3.38Å; Y50-I54 HydrophobicContact CD1-CD1 3.56Å; Y50-I54 HydrophobicContact CD1-CG1 4.46Å; Y50-I54 HydrophobicContact CD2-CD1 4.44Å; Y50-I54 HydrophobicContact CE1-CD1 3.05Å; Y50-I54 HydrophobicContact CE1-CG1 4.13Å; Y50-I54 HydrophobicContact CE2-CD1 4.05Å; Y50-I54 HydrophobicContact CE2-CG1 4.33Å; Y50-I54 HydrophobicContact CG-CD1 4.23Å; Y50-I54 WeakPolarHBondContact O-CG1 3.31Å; Y50-I54 PolarHBondContact O-N 3.46Å; Y50-D138 HydrophobicContact CD1-CB 4.38Å; Y50-D138 HydrophobicContact CG-CB 4.49Å; Y50-D138 PolarHBondContact N-OD2 3.41Å; Y50-A142 HydrophobicContact CD1-CB 3.89Å; Y50-A142 HydrophobicContact CE1-CB 3.17Å
51M89Confident89.8Confident105 Ų10563.9 Ų63.952%0.51734%0.342SS..Hα-helixtrans-63.1-44.9179.3-67.6-62.8-76.800112.2I43 L53 I54 V55 D138I43-M51 HydrophobicContact CG2-CB 4.08Å; M51-L53 PolarHBondContact O-N 2.98Å; M51-I54 PolarHBondContact O-N 3.44Å; M51-V55 PolarHBondContact O-N 3.43Å; M51-D138 HydrophobicContact CG-CB 4.32Å
52G90.8Very high89.8Confident1 Ų162.7 Ų62.71%0.0134%0.341CS..Hα-helixtrans-63.4-40.9176.500000112.6G48 V55 F56G48-G52 PolarHBondContact O-N 3.26Å; G52-V55 PolarHBondContact O-N 2.92Å; G52-F56 PolarHBondContact O-N 3.27Å
53L91.7Very high89.9Confident99 Ų9966.6 Ų66.652%0.51836%0.36SS..Hα-helixtrans-69.8-34.6178.9-71.6174000113.2G49 Y50 M51 V55 F56 L57G49-L53 WeakPolarHBondContact O-CB 3.42Å; G49-L53 VanDerWaalsContact O-CG 3.27Å; G49-L53 WeakPolarHBondContact O-CG 3.41Å; G49-L53 PolarHBondContact O-N 2.98Å; Y50-L53 PolarHBondContact O-N 3.38Å; M51-L53 PolarHBondContact O-N 2.98Å; L53-V55 VanDerWaalsContact C-N 3.34Å; L53-F56 PolarHBondContact O-N 3.48Å; L53-L57 WeakPolarHBondContact O-CG 3.04Å; L53-L57 PolarHBondContact O-N 2.88Å
54I94.2Very high90Very high54 Ų5464.7 Ų64.728%0.27735%0.35SS..Hα-helixtrans-60.7-45.6173.1-73.1166.3000110.7Y50 M51 F56 L57 I58Y50-I54 HydrophobicContact CD1-CD1 3.56Å; Y50-I54 HydrophobicContact CD1-CG1 4.46Å; Y50-I54 HydrophobicContact CD2-CD1 4.44Å; Y50-I54 HydrophobicContact CE1-CD1 3.05Å; Y50-I54 HydrophobicContact CE1-CG1 4.13Å; Y50-I54 HydrophobicContact CE2-CD1 4.05Å; Y50-I54 HydrophobicContact CE2-CG1 4.33Å; Y50-I54 HydrophobicContact CG-CD1 4.23Å; Y50-I54 WeakPolarHBondContact O-CG1 3.31Å; Y50-I54 PolarHBondContact O-N 3.46Å; M51-I54 PolarHBondContact O-N 3.44Å; I54-F56 VanDerWaalsContact C-N 3.33Å; I54-L57 PolarHBondContact O-N 2.93Å; I54-I58 HydrophobicContact CG2-CD1 3.58Å; I54-I58 HydrophobicContact CG2-CG1 4.11Å; I54-I58 WeakPolarHBondContact O-CB 3.37Å; I54-I58 WeakPolarHBondContact O-CG1 3.42Å; I54-I58 PolarHBondContact O-N 3.44Å
55V92.3Very high90.2Very high55 Ų5565 Ų6533%0.33336%0.355SS..Hα-helixtrans-61.3-46.9176.8176.50000109.6I43 M51 G52 L53 L57 Y59 L60I43-V55 HydrophobicContact CD1-CG2 4.43Å; M51-V55 PolarHBondContact O-N 3.43Å; G52-V55 PolarHBondContact O-N 2.92Å; L53-V55 VanDerWaalsContact C-N 3.34Å; V55-L57 VanDerWaalsContact C-N 3.29Å; V55-L57 PolarHBondContact O-N 3.45Å; V55-Y59 WeakPolarHBondContact O-CA 3.35Å; V55-Y59 WeakPolarHBondContact O-CB 3.49Å; V55-Y59 PolarHBondContact O-N 3.22Å; V55-L60 PolarHBondContact O-N 2.95Å
56F91.4Very high90.4Very high98 Ų9865.6 Ų65.643%0.4336%0.362SS..Iπ-helixtrans-55.4-43.4177.1-170.8-92.8000112.4G52 L53 I54 L60 G61G52-F56 PolarHBondContact O-N 3.27Å; L53-F56 PolarHBondContact O-N 3.48Å; I54-F56 VanDerWaalsContact C-N 3.33Å; F56-L60 HydrophobicContact CD2-CD1 3.57Å; F56-L60 HydrophobicContact CE2-CD1 3.83Å; F56-L60 HydrophobicContact CG-CD1 4.37Å; F56-L60 VanDerWaalsContact O-CB 3.29Å; F56-L60 WeakPolarHBondContact O-CB 3.23Å; F56-L60 PolarHBondContact O-N 3.4Å; F56-G61 PolarHBondContact O-N 3.47Å; F56-G61 VanDerWaalsContact O-N 3.13Å
57L93.1Very high90.6Very high116 Ų11664.3 Ų64.361%0.60736%0.356SS*.Iπ-helixtrans-76.1-53.3-178.6-69.3172.2000113.1L53 I54 V55 G61 G62L53-L57 WeakPolarHBondContact O-CG 3.04Å; L53-L57 PolarHBondContact O-N 2.88Å; I54-L57 PolarHBondContact O-N 2.93Å; V55-L57 VanDerWaalsContact C-N 3.29Å; V55-L57 PolarHBondContact O-N 3.45Å; L57-G61 CarbonylContact O-C 3.34Å; L57-G61 WeakPolarHBondContact O-CA 3.48Å; L57-G61 PolarHBondContact O-N 2.98Å; L57-G61 VanDerWaalsContact O-N 3.11Å; L57-G62 PolarHBondContact O-N 3.49Å
58I94.9Very high90.9Very high106 Ų10664.1 Ų64.154%0.54435%0.354SS..Iπ-helixtrans-76.1-43.6-172.5-58.3-177.3000111.2I54 G62 M63I54-I58 HydrophobicContact CG2-CD1 3.58Å; I54-I58 HydrophobicContact CG2-CG1 4.11Å; I54-I58 WeakPolarHBondContact O-CB 3.37Å; I54-I58 WeakPolarHBondContact O-CG1 3.42Å; I54-I58 PolarHBondContact O-N 3.44Å; I58-G62 CarbonylContact O-C 3.58Å; I58-G62 VanDerWaalsContact O-CA 3.23Å; I58-G62 WeakPolarHBondContact O-CA 2.95Å; I58-G62 PolarHBondContact O-N 3.15Å; I58-M63 PolarHBondContact O-N 3.44Å
59Y93.2Very high91.1Very high67 Ų6771.8 Ų71.826%0.26338%0.382SS..Iπ-helixtrans-77.4-62.6-178.1-176.6-97.3000110.8V55 M63 M64V55-Y59 WeakPolarHBondContact O-CA 3.35Å; V55-Y59 WeakPolarHBondContact O-CB 3.49Å; V55-Y59 PolarHBondContact O-N 3.22Å; Y59-M63 HydrophobicContact CD2-CE 3.54Å; Y59-M63 HydrophobicContact CE2-CE 4.39Å; Y59-M63 HydrophobicContact CG-CE 4.31Å; Y59-M63 PolarHBondContact O-N 2.91Å; Y59-M64 HydrophobicContact CD1-CG 4.32Å; Y59-M64 HydrophobicContact CE1-CG 4.08Å; Y59-M64 HydrophobicContact CE1-SD 4.26Å; Y59-M64 WeakPolarHBondContact O-CG 3.37Å; Y59-M64 PolarHBondContact O-N 3.5Å
60L90.5Very high91.1Very high21 Ų2174.6 Ų74.611%0.1140%0.398CS..Iπ-helixtrans-73.6-43.5-175.9-59.1174.9000112.3I33 V37 V55 F56 M64I33-L60 HydrophobicContact CB-CD2 4.2Å; I33-L60 HydrophobicContact CG1-CD2 4.19Å; I33-L60 HydrophobicContact CG2-CD2 4.21Å; V37-L60 HydrophobicContact CG2-CD1 3.7Å; V55-L60 PolarHBondContact O-N 2.95Å; F56-L60 HydrophobicContact CD2-CD1 3.57Å; F56-L60 HydrophobicContact CE2-CD1 3.83Å; F56-L60 HydrophobicContact CG-CD1 4.37Å; F56-L60 VanDerWaalsContact O-CB 3.29Å; F56-L60 WeakPolarHBondContact O-CB 3.23Å; F56-L60 PolarHBondContact O-N 3.4Å; L60-M64 HydrophobicContact CD2-CG 4.42Å
61G90.3Very high90.9Very high48 Ų4870.7 Ų70.750%0.49539%0.385SS..Iπ-helixtrans-80.2-28.9-179.300000114.5F56 L57 V65F56-G61 PolarHBondContact O-N 3.47Å; F56-G61 VanDerWaalsContact O-N 3.13Å; L57-G61 CarbonylContact O-C 3.34Å; L57-G61 WeakPolarHBondContact O-CA 3.48Å; L57-G61 PolarHBondContact O-N 2.98Å; L57-G61 VanDerWaalsContact O-N 3.11Å; G61-V65 WeakPolarHBondContact O-CG2 3.43Å
62G91.8Very high90.7Very high31 Ų3168.5 Ų68.532%0.3238%0.384SS..Iπ-helixtrans-98.8-78.4-176.600000112.6L57 I58 M64 V65 V66L57-G62 PolarHBondContact O-N 3.49Å; I58-G62 CarbonylContact O-C 3.58Å; I58-G62 VanDerWaalsContact O-CA 3.23Å; I58-G62 WeakPolarHBondContact O-CA 2.95Å; I58-G62 PolarHBondContact O-N 3.15Å; G62-M64 PolarHBondContact O-N 3.41Å; G62-V65 PolarHBondContact O-N 3.01Å; G62-V66 PolarHBondContact O-N 2.99Å
63M92.6Very high90.5Very high109 Ų10975 Ų7554%0.53742%0.415SS..Iπ-helixtrans-65-41.2-169.5-66.2-171.1-68.500112.8I58 Y59 V65 V66 F67I58-M63 PolarHBondContact O-N 3.44Å; Y59-M63 HydrophobicContact CD2-CE 3.54Å; Y59-M63 HydrophobicContact CE2-CE 4.39Å; Y59-M63 HydrophobicContact CG-CE 4.31Å; Y59-M63 PolarHBondContact O-N 2.91Å; M63-V65 VanDerWaalsContact C-N 3.28Å; M63-V65 PolarHBondContact O-N 3.24Å; M63-V66 PolarHBondContact O-N 2.85Å; M63-F67 WeakPolarHBondContact O-CB 3.31Å; M63-F67 PolarHBondContact O-N 3.25Å
64M89.8Confident90Very high17 Ų1774.1 Ų74.18%0.08442%0.422CS..Hα-helixtrans-66.3-30.2179.8-68.8-52.3-57.400113G29 L32 I33 Y59 L60 G62 F67 G68G29-M64 WeakPolarHBondContact O-CE 3.13Å; L32-M64 HydrophobicContact CB-CE 3.61Å; L32-M64 HydrophobicContact CB-SD 3.97Å; L32-M64 HydrophobicContact CD1-CE 3.96Å; L32-M64 HydrophobicContact CD1-SD 4.1Å; L32-M64 HydrophobicContact CG-CE 4.44Å; I33-M64 HydrophobicContact CG1-CB 4.49Å; I33-M64 HydrophobicContact CG1-CE 4.43Å; I33-M64 HydrophobicContact CG1-CG 4.46Å; Y59-M64 HydrophobicContact CD1-CG 4.32Å; Y59-M64 HydrophobicContact CE1-CG 4.08Å; Y59-M64 HydrophobicContact CE1-SD 4.26Å; Y59-M64 WeakPolarHBondContact O-CG 3.37Å; Y59-M64 PolarHBondContact O-N 3.5Å; L60-M64 HydrophobicContact CD2-CG 4.42Å; G62-M64 PolarHBondContact O-N 3.41Å; M64-F67 HydrophobicContact CE-CD1 3.99Å; M64-G68 PolarHBondContact O-N 3.34Å
65V92.4Very high89.4Confident92 Ų9276.5 Ų76.556%0.55843%0.434SS*.Hα-helixtrans-71.1-46177.1178.40000110.7G61 G62 M63 F67 G68 Y69G61-V65 WeakPolarHBondContact O-CG2 3.43Å; G62-V65 PolarHBondContact O-N 3.01Å; M63-V65 VanDerWaalsContact C-N 3.28Å; M63-V65 PolarHBondContact O-N 3.24Å; V65-F67 VanDerWaalsContact C-N 3.31Å; V65-F67 PolarHBondContact O-N 3.42Å; V65-G68 PolarHBondContact O-N 3.01Å; V65-Y69 PolarHBondContact O-N 2.87Å
66V91.4Very high88.8Confident95 Ų9581 Ų8158%0.57645%0.452SS*.Hα-helixtrans-62.9-41.4175.2-179.70000110.5G62 M63 Y69 T70G62-V66 PolarHBondContact O-N 2.99Å; M63-V66 PolarHBondContact O-N 2.85Å; V66-Y69 PolarHBondContact O-N 2.88Å; V66-T70 WeakPolarHBondContact O-CG2 3.15Å; V66-T70 PolarHBondContact O-N 3.28Å; V66-T70 PolarHBondContact O-OG1 2.98Å
67F89.3Confident87.9Confident80 Ų8084.9 Ų84.935%0.35147%0.471SS..Hα-helixtrans-56.8-55.2173.6178.8-103.7000110.9P25 M63 M64 V65 Y69 T70 T71P25-F67 HydrophobicContact CB-CE1 4.46Å; P25-F67 HydrophobicContact CB-CZ 4.01Å; P25-F67 WeakPolarHBondContact O-CE1 3.47Å; M63-F67 WeakPolarHBondContact O-CB 3.31Å; M63-F67 PolarHBondContact O-N 3.25Å; M64-F67 HydrophobicContact CE-CD1 3.99Å; V65-F67 VanDerWaalsContact C-N 3.31Å; V65-F67 PolarHBondContact O-N 3.42Å; F67-Y69 VanDerWaalsContact C-N 3.27Å; F67-Y69 PolarHBondContact O-N 2.93Å; F67-T70 PolarHBondContact O-N 3.13Å; F67-T70 VanDerWaalsContact O-N 3.08Å; F67-T70 PolarHBondContact O-OG1 3.11Å; F67-T71 HydrophobicContact CD1-CG2 4.1Å; F67-T71 HydrophobicContact CD2-CG2 4.31Å; F67-T71 HydrophobicContact CE1-CG2 3.77Å; F67-T71 HydrophobicContact CE2-CG2 4Å; F67-T71 HydrophobicContact CG-CG2 4.36Å; F67-T71 HydrophobicContact CZ-CG2 3.72Å; F67-T71 WeakPolarHBondContact O-CG2 3.33Å; F67-T71 PolarHBondContact O-N 2.93Å
68G89Confident86.9Confident33 Ų3389 Ų8934%0.3448%0.48SS..Hα-helixtrans-53.6-42.9176.900000113M64 V65 T71 A72M64-G68 PolarHBondContact O-N 3.34Å; V65-G68 PolarHBondContact O-N 3.01Å; G68-T71 WeakPolarHBondContact CA-OG1 3.45Å; G68-T71 PolarHBondContact O-N 3.13Å; G68-T71 PolarHBondContact O-OG1 2.91Å; G68-A72 PolarHBondContact O-N 3.18Å
69Y89.1Confident86Confident167 Ų16786.9 Ų86.966%0.65547%0.473SS*.Hα-helixtrans-62.1-44.5177.2-174-101.7000112.7V65 V66 F67 A72 M73V65-Y69 PolarHBondContact O-N 2.87Å; V66-Y69 PolarHBondContact O-N 2.88Å; F67-Y69 VanDerWaalsContact C-N 3.27Å; F67-Y69 PolarHBondContact O-N 2.93Å; Y69-A72 WeakPolarHBondContact O-CB 3.31Å; Y69-A72 PolarHBondContact O-N 3.29Å; Y69-M73 HydrophobicContact CD1-CE 4.13Å; Y69-M73 HydrophobicContact CE1-CE 3.39Å
70T86.8Confident85.1Confident69 Ų6988.3 Ų88.342%0.42348%0.482SS..Hα-helixtrans-70-34.1177.158.20000112.8V66 F67 A72 M73V66-T70 WeakPolarHBondContact O-CG2 3.15Å; V66-T70 PolarHBondContact O-N 3.28Å; V66-T70 PolarHBondContact O-OG1 2.98Å; F67-T70 PolarHBondContact O-N 3.13Å; F67-T70 VanDerWaalsContact O-N 3.08Å; F67-T70 PolarHBondContact O-OG1 3.11Å; T70-A72 PolarHBondContact O-N 3.46Å; T70-M73 WeakPolarHBondContact O-CB 3.45Å; T70-M73 PolarHBondContact O-N 3.44Å
71T86.2Confident84.5Confident21 Ų2189.3 Ų89.313%0.12949%0.494CS..Hα-helixtrans-63.4-31.3175.961.30000112P25 F67 G68 M73 A74 I75P25-T71 HydrophobicContact CB-CG2 3.38Å; P25-T71 HydrophobicContact CG-CG2 4.45Å; F67-T71 HydrophobicContact CD1-CG2 4.1Å; F67-T71 HydrophobicContact CD2-CG2 4.31Å; F67-T71 HydrophobicContact CE1-CG2 3.77Å; F67-T71 HydrophobicContact CE2-CG2 4Å; F67-T71 HydrophobicContact CG-CG2 4.36Å; F67-T71 HydrophobicContact CZ-CG2 3.72Å; F67-T71 WeakPolarHBondContact O-CG2 3.33Å; F67-T71 PolarHBondContact O-N 2.93Å; G68-T71 WeakPolarHBondContact CA-OG1 3.45Å; G68-T71 PolarHBondContact O-N 3.13Å; G68-T71 PolarHBondContact O-OG1 2.91Å; T71-M73 PolarHBondContact O-N 3.08Å; T71-A74 CarbonylContact O-C 3.51Å; T71-A74 PolarHBondContact O-N 3.25Å; T71-A74 VanDerWaalsContact O-N 3.07Å; T71-I75 WeakPolarHBondContact O-CG1 3.29Å; T71-I75 PolarHBondContact O-N 3.09Å
72A84.7Confident83.6Confident60 Ų6092 Ų9250%0.49649%0.489SS..Hα-helixtrans-62.6-26.4174.100000113.1G68 Y69 T70 A74 I75G68-A72 PolarHBondContact O-N 3.18Å; Y69-A72 WeakPolarHBondContact O-CB 3.31Å; Y69-A72 PolarHBondContact O-N 3.29Å; T70-A72 PolarHBondContact O-N 3.46Å; A72-A74 VanDerWaalsContact C-N 3.31Å; A72-I75 HydrophobicContact CB-CD1 4.38Å
73M85.2Confident82.6Confident138 Ų13893 Ų9368%0.6850%0.5SS*.THydrogen-bonded Turntrans-78.9-14.3176.5-60-179.5169.900113.3Y69 T70 T71Y69-M73 HydrophobicContact CD1-CE 4.13Å; Y69-M73 HydrophobicContact CE1-CE 3.39Å; T70-M73 WeakPolarHBondContact O-CB 3.45Å; T70-M73 PolarHBondContact O-N 3.44Å; T71-M73 PolarHBondContact O-N 3.08Å
74A82.1Confident81.9Confident80 Ų8091.4 Ų91.466%0.66150%0.499SS*.THydrogen-bonded Turntrans-122.329.3-176.500000112.2T71 A72 E76T71-A74 CarbonylContact O-C 3.51Å; T71-A74 PolarHBondContact O-N 3.25Å; T71-A74 VanDerWaalsContact O-N 3.07Å; A72-A74 VanDerWaalsContact C-N 3.31Å; A74-E76 PolarHBondContact O-N 3.23Å
75I81.8Confident81.5Confident104 Ų10491.3 Ų91.353%0.53350%0.502SS..  trans-72.1122.3178.5-66.1177.2000109.7I26 T71 A72I26-I75 HydrophobicContact CD1-CD1 4.34Å; I26-I75 HydrophobicContact CD1-CG1 4.38Å; T71-I75 WeakPolarHBondContact O-CG1 3.29Å; T71-I75 PolarHBondContact O-N 3.09Å; A72-I75 HydrophobicContact CB-CD1 4.38Å
76E78.9Confident81.1Confident148 Ų14892.4 Ų92.469%0.69251%0.509SS*.  trans-83.5151.9167.9-61.2-177174.200110.9A74 Y78A74-E76 PolarHBondContact O-N 3.23Å; E76-Y78 PolarHBondContact O-N 2.94Å; E76-Y78 VanDerWaalsContact O-N 3.17Å
77E72.1Confident80.7Confident181 Ų18195.9 Ų95.985%0.84652%0.519SS*.SBendtrans-60.2-27.6-174.8-69.2-176.9169.100113.7
78Y72.5Confident80.5Confident202 Ų20292.3 Ų92.379%0.79250%0.504SS*.SBendtrans-129.687.5176.9-66.1-73.2000110.5E76 E80E76-Y78 PolarHBondContact O-N 2.94Å; E76-Y78 VanDerWaalsContact O-N 3.17Å; Y78-E80 PolarHBondContact O-N 3.45Å
79P76Confident80.3Confident62 Ų6294.8 Ų94.840%0.40351%0.509SS..PPolyproline II helixtrans-64.7135.517925.9-33.1000110.4A81P79-A81 PolarHBondContact O-N 3.28Å; P79-A81 VanDerWaalsContact O-N 3.1Å
80E75.5Confident80.3Confident97 Ų9790.6 Ų90.645%0.45350%0.5SS..PPolyproline II helixtrans-57.4118.6173.9-66.8-168.1170.800110.3S24 Y27 Y78 S84S24-E80 PolarHBondContact OG-O 3.45Å; Y27-E80 WeakPolarHBondContact CD2-O 3.05Å; Y78-E80 PolarHBondContact O-N 3.45Å; E80-S84 WeakPolarHBondContact CA-OG 3.32Å
81A76.3Confident80.3Confident42 Ų4289.4 Ų89.435%0.34750%0.495SS..PPolyproline II helixtrans-83.4157.8169.400000110.2P79 G83 S84P79-A81 PolarHBondContact O-N 3.28Å; P79-A81 VanDerWaalsContact O-N 3.1Å; A81-G83 PolarHBondContact O-N 2.91Å; A81-S84 PolarHBondContact N-OG 2.98Å; A81-S84 WeakPolarHBondContact O-CB 3.31Å; A81-S84 PolarHBondContact O-N 2.91Å; A81-S84 PolarHBondContact O-OG 3.22Å
82W71.7Confident80.4Confident104 Ų10490 Ų9039%0.39450%0.499SS..THydrogen-bonded Turntrans-51.5-28.9-177.4-73.771.1000115.6Y27 V31Y27-W82 AromaticContact CD1-NE1 3.61Å; Y27-W82 AromaticContact CG-CD1 3.9Å; Y27-W82 AromaticContact CG-NE1 3.56Å; V31-W82 HydrophobicContact CG2-CH2 3.42Å; V31-W82 VanDerWaalsContact CG2-CH2 3.42Å; V31-W82 HydrophobicContact CG2-CZ2 3.21Å
83G72.3Confident80.6Confident53 Ų5392.8 Ų92.855%0.54650%0.504SS..THydrogen-bonded Turntrans-107.94.5178.600000114.9A81A81-G83 PolarHBondContact O-N 2.91Å
84S76.4Confident80.8Confident74 Ų7490.2 Ų90.252%0.51750%0.496SS..THydrogen-bonded Turntrans-82-38.5-175.663.70000112.6E80 A81E80-S84 WeakPolarHBondContact CA-OG 3.32Å; A81-S84 PolarHBondContact N-OG 2.98Å; A81-S84 WeakPolarHBondContact O-CB 3.31Å; A81-S84 PolarHBondContact O-N 2.91Å; A81-S84 PolarHBondContact O-OG 3.22Å
85G81.4Confident81.1Confident15 Ų1587.1 Ų87.116%0.15547%0.472CS..  trans-89.1123.9176.900000111.9E87 V88 L89G85-E87 PolarHBondContact O-N 3.04Å; G85-V88 PolarHBondContact O-N 3.12Å; G85-L89 PolarHBondContact O-N 3.5Å; G85-L89 VanDerWaalsContact O-N 3.12Å
86V83.4Confident81.4Confident116 Ų11685 Ų8570%0.70346%0.461SS*.Hα-helixtrans-58.3-37.3170177.70000110.2L89 V90V86-L89 PolarHBondContact O-N 2.83Å; V86-V90 HydrophobicContact CG1-CG2 4.31Å; V86-V90 WeakPolarHBondContact O-CB 3.47Å; V86-V90 VanDerWaalsContact O-CG2 3.24Å; V86-V90 WeakPolarHBondContact O-CG2 3.2Å; V86-V90 PolarHBondContact O-N 3.18Å
87E84.4Confident81.9Confident167 Ų16781 Ų8178%0.7845%0.454SS*.Hα-helixtrans-66.3-37.6177.1-59.7-171.1177.900112.9G85 V90 S91G85-E87 PolarHBondContact O-N 3.04Å; E87-V90 PolarHBondContact O-N 2.89Å; E87-S91 WeakPolarHBondContact O-CB 3.31Å; E87-S91 PolarHBondContact O-N 3.21Å; E87-S91 PolarHBondContact O-OG 3.38Å
88V84.4Confident82.6Confident5 Ų577.9 Ų77.93%0.0344%0.441CS..Hα-helixtrans-63.6-46.2175.7-177.40000109.7G85 S91 V92G85-V88 PolarHBondContact O-N 3.12Å; V88-S91 WeakPolarHBondContact CA-OG 3.43Å; V88-S91 PolarHBondContact O-N 3Å; V88-S91 PolarHBondContact O-OG 3.3Å; V88-V92 VanDerWaalsContact O-CG2 3.28Å; V88-V92 WeakPolarHBondContact O-CG2 3.38Å; V88-V92 PolarHBondContact O-N 3.28Å
89L85Confident83.1Confident86 Ų8669.4 Ų69.445%0.4541%0.408SS..Hα-helixtrans-65.1-42.9177.5-72.1172.5000112.5G85 V86 V92 L93G85-L89 PolarHBondContact O-N 3.5Å; G85-L89 VanDerWaalsContact O-N 3.12Å; V86-L89 PolarHBondContact O-N 2.83Å; L89-V92 PolarHBondContact O-N 3.28Å; L89-L93 WeakPolarHBondContact O-CG 3.36Å; L89-L93 PolarHBondContact O-N 2.91Å
90V88.8Confident83.5Confident78 Ų7870.4 Ų70.447%0.47341%0.413SS..Hα-helixtrans-63-45.2177.7170.30000110.9V86 E87 V92 L93 V94V86-V90 HydrophobicContact CG1-CG2 4.31Å; V86-V90 WeakPolarHBondContact O-CB 3.47Å; V86-V90 VanDerWaalsContact O-CG2 3.24Å; V86-V90 WeakPolarHBondContact O-CG2 3.2Å; V86-V90 PolarHBondContact O-N 3.18Å; E87-V90 PolarHBondContact O-N 2.89Å; V90-V92 PolarHBondContact O-N 2.9Å; V90-L93 PolarHBondContact O-N 3.31Å; V90-V94 HydrophobicContact CG1-CG2 4.42Å; V90-V94 VanDerWaalsContact O-CG2 3.31Å; V90-V94 WeakPolarHBondContact O-CG2 3.26Å; V90-V94 PolarHBondContact O-N 3.24Å
91S87.1Confident84Confident45 Ų4567.6 Ų67.632%0.31541%0.41SS..Hα-helixtrans-65.6-37.7179.856.50000112.7S21 E87 V88 V94 G95S21-S91 WeakPolarHBondContact CA-OG 3.49Å; S21-S91 WeakPolarHBondContact CB-OG 3.3Å; E87-S91 WeakPolarHBondContact O-CB 3.31Å; E87-S91 PolarHBondContact O-N 3.21Å; E87-S91 PolarHBondContact O-OG 3.38Å; V88-S91 WeakPolarHBondContact CA-OG 3.43Å; V88-S91 PolarHBondContact O-N 3Å; V88-S91 PolarHBondContact O-OG 3.3Å; S91-V94 PolarHBondContact O-N 2.94Å; S91-G95 PolarHBondContact O-N 3.28Å
92V87.8Confident84.3Confident34 Ų3470.2 Ų70.221%0.20642%0.418CS..Hα-helixtrans-63.7-45.3172.6172.40000111.1V88 L89 V90 V94 G95 L96V88-V92 VanDerWaalsContact O-CG2 3.28Å; V88-V92 WeakPolarHBondContact O-CG2 3.38Å; V88-V92 PolarHBondContact O-N 3.28Å; L89-V92 PolarHBondContact O-N 3.28Å; V90-V92 PolarHBondContact O-N 2.9Å; V92-V94 VanDerWaalsContact C-N 3.33Å; V92-V94 PolarHBondContact O-N 3.34Å; V92-G95 PolarHBondContact O-N 3.13Å; V92-L96 HydrophobicContact CG1-CD1 4.17Å; V92-L96 HydrophobicContact CG1-CG 4.39Å; V92-L96 WeakPolarHBondContact O-CG 3.35Å; V92-L96 PolarHBondContact O-N 3.45Å
93L88.5Confident84.7Confident117 Ų11768.1 Ų68.161%0.61342%0.416SS*.Hα-helixtrans-61.5-41177.5-74.1174.2000112.2L89 V90 A97L89-L93 WeakPolarHBondContact O-CG 3.36Å; L89-L93 PolarHBondContact O-N 2.91Å; V90-L93 PolarHBondContact O-N 3.31Å; L93-A97 VanDerWaalsContact O-CB 3.3Å; L93-A97 WeakPolarHBondContact O-CB 3.36Å; L93-A97 PolarHBondContact O-N 3.29Å
94V90.8Very high85.1Confident85 Ų8570.2 Ų70.252%0.51541%0.414SS..Hα-helixtrans-64.3-44.1175.2172.80000110.7V90 S91 V92 A97 M98V90-V94 HydrophobicContact CG1-CG2 4.42Å; V90-V94 VanDerWaalsContact O-CG2 3.31Å; V90-V94 WeakPolarHBondContact O-CG2 3.26Å; V90-V94 PolarHBondContact O-N 3.24Å; S91-V94 PolarHBondContact O-N 2.94Å; V92-V94 VanDerWaalsContact C-N 3.33Å; V92-V94 PolarHBondContact O-N 3.34Å; V94-A97 PolarHBondContact O-N 2.85Å; V94-M98 HydrophobicContact CG1-CG 4.46Å; V94-M98 VanDerWaalsContact O-CG 3.32Å; V94-M98 WeakPolarHBondContact O-CG 3.36Å; V94-M98 PolarHBondContact O-N 2.98Å
95G88.4Confident85.1Confident14 Ų1473.6 Ų73.614%0.14442%0.416CS..Hα-helixtrans-58.6-48.6176.300000112.4S91 V92 A97 M98 E99S91-G95 PolarHBondContact O-N 3.28Å; V92-G95 PolarHBondContact O-N 3.13Å; G95-A97 PolarHBondContact O-N 3.38Å; G95-M98 PolarHBondContact O-N 2.93Å; G95-E99 PolarHBondContact O-N 2.91Å
96L87.3Confident84.6Confident59 Ų5976.1 Ų76.131%0.30943%0.428SS..Hα-helixtrans-59.9-43.5175.3-71.6-179.9000112.6M14 V92 M98 E99 V100M14-L96 HydrophobicContact CE-CD2 3.6Å; M14-L96 HydrophobicContact SD-CD2 3.26Å; M14-L96 WeakPolarHBondContact SD-CD2 3.41Å; V92-L96 HydrophobicContact CG1-CD1 4.17Å; V92-L96 HydrophobicContact CG1-CG 4.39Å; V92-L96 WeakPolarHBondContact O-CG 3.35Å; V92-L96 PolarHBondContact O-N 3.45Å; L96-M98 VanDerWaalsContact C-N 3.3Å; L96-M98 PolarHBondContact O-N 3.35Å; L96-E99 PolarHBondContact O-N 3.29Å; L96-V100 WeakPolarHBondContact O-CB 3.39Å; L96-V100 WeakPolarHBondContact O-CG2 3.46Å; L96-V100 PolarHBondContact O-N 3.23Å
97A89.6Confident83.7Confident65 Ų6577.4 Ų77.454%0.53742%0.424SS..Hα-helixtrans-63.3-38.3178.200000111.7L93 V94 G95 G101L93-A97 VanDerWaalsContact O-CB 3.3Å; L93-A97 WeakPolarHBondContact O-CB 3.36Å; L93-A97 PolarHBondContact O-N 3.29Å; V94-A97 PolarHBondContact O-N 2.85Å; G95-A97 PolarHBondContact O-N 3.38Å; A97-G101 WeakPolarHBondContact O-CA 3.42Å; A97-G101 PolarHBondContact O-N 3.47Å
98M86.6Confident82.5Confident116 Ų11677.3 Ų77.357%0.57142%0.424SS*.Hα-helixtrans-67.9-43.3175.9-71.1-59.7-63.700112V94 G95 L96 G101 L102V94-M98 HydrophobicContact CG1-CG 4.46Å; V94-M98 VanDerWaalsContact O-CG 3.32Å; V94-M98 WeakPolarHBondContact O-CG 3.36Å; V94-M98 PolarHBondContact O-N 2.98Å; G95-M98 PolarHBondContact O-N 2.93Å; L96-M98 VanDerWaalsContact C-N 3.3Å; L96-M98 PolarHBondContact O-N 3.35Å; M98-G101 PolarHBondContact O-N 3.5Å; M98-L102 WeakPolarHBondContact O-CB 3.4Å; M98-L102 VanDerWaalsContact O-CG 3.26Å; M98-L102 WeakPolarHBondContact O-CG 3.35Å; M98-L102 PolarHBondContact O-N 3.04Å
99E83.4Confident81Confident24 Ų2483.4 Ų83.411%0.11245%0.447CS..Hα-helixtrans-60.6-54.2176.2-73.7-176.6-163.200111.6V13 M14 V17 G95 L96 G101 L102 V103V13-E99 HydrophobicContact CB-CG 4.37Å; V13-E99 WeakPolarHBondContact CB-OE1 3.33Å; V13-E99 HydrophobicContact CG1-CG 3.77Å; V13-E99 WeakPolarHBondContact CG1-OE1 3.46Å; M14-E99 WeakPolarHBondContact CG-OE2 3.38Å; M14-E99 PolarHBondContact N-OE1 3.36Å; V17-E99 VanDerWaalsContact CG2-OE1 3.31Å; V17-E99 WeakPolarHBondContact CG2-OE1 3.47Å; G95-E99 PolarHBondContact O-N 2.91Å; L96-E99 PolarHBondContact O-N 3.29Å; E99-G101 VanDerWaalsContact C-N 3.32Å; E99-G101 PolarHBondContact O-N 3.12Å; E99-L102 PolarHBondContact O-N 3.34Å; E99-V103 WeakPolarHBondContact O-CB 3.37Å; E99-V103 VanDerWaalsContact O-CG2 3.27Å; E99-V103 WeakPolarHBondContact O-CG2 3.26Å; E99-V103 PolarHBondContact O-N 2.82Å
100V84.9Confident79Confident83 Ų8385.4 Ų85.450%0.50346%0.458SS..Hα-helixtrans-63.1-41.7179.9175.90000110.6L96 V103 L104L96-V100 WeakPolarHBondContact O-CB 3.39Å; L96-V100 WeakPolarHBondContact O-CG2 3.46Å; L96-V100 PolarHBondContact O-N 3.23Å; V100-V103 PolarHBondContact O-N 2.96Å; V100-L104 HydrophobicContact CG1-CD1 3.69Å; V100-L104 HydrophobicContact CG1-CG 4.12Å; V100-L104 WeakPolarHBondContact O-CB 3.49Å; V100-L104 VanDerWaalsContact O-CG 3.26Å; V100-L104 WeakPolarHBondContact O-CG 3.06Å; V100-L104 PolarHBondContact O-N 3.36Å
101G84.7Confident76.6Confident38 Ų3884.6 Ų84.639%0.39247%0.466SS..Hα-helixtrans-58.4-48.4177.400000112.3A97 M98 E99 W105A97-G101 WeakPolarHBondContact O-CA 3.42Å; A97-G101 PolarHBondContact O-N 3.47Å; M98-G101 PolarHBondContact O-N 3.5Å; E99-G101 VanDerWaalsContact C-N 3.32Å; E99-G101 PolarHBondContact O-N 3.12Å; G101-W105 WeakPolarHBondContact O-CB 3.47Å; G101-W105 PolarHBondContact O-N 2.93Å
102L82.8Confident74.2Confident97 Ų9787.3 Ų87.351%0.50848%0.481SS..Hα-helixtrans-67.5-41.5178.3-71172.2000112.2M98 E99 W105 V106M98-L102 WeakPolarHBondContact O-CB 3.4Å; M98-L102 VanDerWaalsContact O-CG 3.26Å; M98-L102 WeakPolarHBondContact O-CG 3.35Å; M98-L102 PolarHBondContact O-N 3.04Å; E99-L102 PolarHBondContact O-N 3.34Å; L102-W105 PolarHBondContact O-N 3.35Å; L102-V106 WeakPolarHBondContact O-CB 3.11Å; L102-V106 VanDerWaalsContact O-CG2 3.24Å; L102-V106 WeakPolarHBondContact O-CG2 3.27Å; L102-V106 PolarHBondContact O-N 3.43Å
103V81.1Confident72Confident60 Ų6091.3 Ų91.336%0.36451%0.505SS..Hα-helixtrans-64.8-42.6178.6171.70000111.3F6 E99 V100 K107F6-V103 HydrophobicContact CZ-CG1 4.04Å; F6-V103 HydrophobicContact CZ-CG2 4.04Å; E99-V103 WeakPolarHBondContact O-CB 3.37Å; E99-V103 VanDerWaalsContact O-CG2 3.27Å; E99-V103 WeakPolarHBondContact O-CG2 3.26Å; E99-V103 PolarHBondContact O-N 2.82Å; V100-V103 PolarHBondContact O-N 2.96Å; V103-K107 WeakPolarHBondContact O-CB 3.43Å; V103-K107 PolarHBondContact O-N 2.99Å; V103-K107 VanDerWaalsContact O-N 3.1Å
104L80.3Confident69.5Low96 Ų9691.7 Ų91.750%0.50351%0.511SS..Hα-helixtrans-67.1-41.7175.6-70.2177.2000111.4V100 V106 K107 E108V100-L104 HydrophobicContact CG1-CD1 3.69Å; V100-L104 HydrophobicContact CG1-CG 4.12Å; V100-L104 WeakPolarHBondContact O-CB 3.49Å; V100-L104 VanDerWaalsContact O-CG 3.26Å; V100-L104 WeakPolarHBondContact O-CG 3.06Å; V100-L104 PolarHBondContact O-N 3.36Å; L104-V106 PolarHBondContact O-N 3.39Å; L104-K107 WeakPolarHBondContact O-CB 3.39Å; L104-K107 PolarHBondContact O-N 3.04Å; L104-K107 VanDerWaalsContact O-N 3.08Å; L104-E108 PolarHBondContact O-N 3.17Å
105W77.1Confident67.2Low146 Ų14693.8 Ų93.855%0.55352%0.524SS*.Hα-helixtrans-60-45.4176.9-16871.6000111.7G101 L102 K107 E108 Y109G101-W105 WeakPolarHBondContact O-CB 3.47Å; G101-W105 PolarHBondContact O-N 2.93Å; L102-W105 PolarHBondContact O-N 3.35Å; W105-K107 VanDerWaalsContact C-N 3.25Å; W105-K107 PolarHBondContact O-N 3.1Å; W105-E108 PolarHBondContact O-N 2.96Å; W105-Y109 AromaticContact CD1-CD2 3.74Å; W105-Y109 AromaticContact CD1-CE2 3.41Å; W105-Y109 VanDerWaalsContact CD1-CE2 3.41Å; W105-Y109 HydrophobicContact CD2-CD2 4.23Å; W105-Y109 HydrophobicContact CD2-CE2 4.39Å; W105-Y109 AromaticContact CE2-CD2 3.87Å; W105-Y109 AromaticContact CE2-CE2 3.69Å; W105-Y109 HydrophobicContact CG-CD2 4.14Å; W105-Y109 HydrophobicContact CG-CE2 4.23Å; W105-Y109 HydrophobicContact CZ2-CD2 4.49Å; W105-Y109 HydrophobicContact CZ2-CE2 4.32Å; W105-Y109 AromaticContact NE1-CD2 3.58Å; W105-Y109 AromaticContact NE1-CE2 3.03Å; W105-Y109 AromaticContact NE1-CZ 3.73Å; W105-Y109 WeakPolarHBondContact O-CD2 3.4Å; W105-Y109 PolarHBondContact O-N 3.11Å; W105-Y109 VanDerWaalsContact O-N 3.15Å
106V70.2Confident64.8Low67 Ų6797.6 Ų97.641%0.40655%0.545SS..Hα-helixtrans-62.8-33.4175.4171.60000111.8L102 L104L102-V106 WeakPolarHBondContact O-CB 3.11Å; L102-V106 VanDerWaalsContact O-CG2 3.24Å; L102-V106 WeakPolarHBondContact O-CG2 3.27Å; L102-V106 PolarHBondContact O-N 3.43Å; L104-V106 PolarHBondContact O-N 3.39Å
107K65.2Low62.5Low144 Ų14499.3 Ų99.363%0.62655%0.554SS**Hα-helixtrans-74.8-32.4178.4-171.6-179.1176.6-174.90113.2V103 L104 W105V103-K107 WeakPolarHBondContact O-CB 3.43Å; V103-K107 PolarHBondContact O-N 2.99Å; V103-K107 VanDerWaalsContact O-N 3.1Å; L104-K107 WeakPolarHBondContact O-CB 3.39Å; L104-K107 PolarHBondContact O-N 3.04Å; L104-K107 VanDerWaalsContact O-N 3.08Å; W105-K107 VanDerWaalsContact C-N 3.25Å; W105-K107 PolarHBondContact O-N 3.1Å
108E59.5Low60.3Low164 Ų164102.3 Ų102.377%0.76656%0.555SS**Hα-helixtrans-82.6-30.1-176.8-129.7170.4-169.400112.6L104 W105 D110L104-E108 PolarHBondContact O-N 3.17Å; W105-E108 PolarHBondContact O-N 2.96Å; E108-D110 VanDerWaalsContact C-N 3.32Å; E108-D110 PolarHBondContact O-N 2.92Å; E108-D110 VanDerWaalsContact O-N 3.16Å
109Y51.8Low58.2Low133 Ų133100 Ų10052%0.52255%0.545SS..  trans-87.858.8177.1-79.1-94.8000112.9W105 G111 V112W105-Y109 AromaticContact CD1-CD2 3.74Å; W105-Y109 AromaticContact CD1-CE2 3.41Å; W105-Y109 VanDerWaalsContact CD1-CE2 3.41Å; W105-Y109 HydrophobicContact CD2-CD2 4.23Å; W105-Y109 HydrophobicContact CD2-CE2 4.39Å; W105-Y109 AromaticContact CE2-CD2 3.87Å; W105-Y109 AromaticContact CE2-CE2 3.69Å; W105-Y109 HydrophobicContact CG-CD2 4.14Å; W105-Y109 HydrophobicContact CG-CE2 4.23Å; W105-Y109 HydrophobicContact CZ2-CD2 4.49Å; W105-Y109 HydrophobicContact CZ2-CE2 4.32Å; W105-Y109 AromaticContact NE1-CD2 3.58Å; W105-Y109 AromaticContact NE1-CE2 3.03Å; W105-Y109 AromaticContact NE1-CZ 3.73Å; W105-Y109 WeakPolarHBondContact O-CD2 3.4Å; W105-Y109 PolarHBondContact O-N 3.11Å; W105-Y109 VanDerWaalsContact O-N 3.15Å; Y109-G111 PolarHBondContact O-N 3.28Å; Y109-V112 HydrophobicContact CD1-CG2 4.18Å
110D43.7Very low56.2Low128 Ų128103.1 Ų103.168%0.68457%0.57SS**THydrogen-bonded Turntrans-68.822.5173.8-147.334.7000113.4E108 N119E108-D110 VanDerWaalsContact C-N 3.32Å; E108-D110 PolarHBondContact O-N 2.92Å; E108-D110 VanDerWaalsContact O-N 3.16Å; D110-N119 PolarHBondContact OD1-ND2 2.97Å
111G38.4Very low54.2Low62 Ų62101.3 Ų101.364%0.63956%0.559SS**THydrogen-bonded Turntrans-148.615.4-165.900000117.2Y109Y109-G111 PolarHBondContact O-N 3.28Å
112V36.5Very low52.3Low102 Ų102100.7 Ų100.762%0.61855%0.552SS**  trans-116.583.8168.7-175.60000109.8Y109 V114Y109-V112 HydrophobicContact CD1-CG2 4.18Å; V112-V114 PolarHBondContact O-N 3.47Å
113V40.3Very low50.7Low118 Ų118100.5 Ų100.572%0.71556%0.559SS**THydrogen-bonded Turntrans-66.78.8-171.5163.20000115.6
114V36.8Very low49.1Very low124 Ų124105 Ų10575%0.75257%0.57SS**THydrogen-bonded Turntrans-121.8-6-163.4-171.80000117.7V112V112-V114 PolarHBondContact O-N 3.47Å
115V43.4Very low48Very low130 Ų130103.5 Ų103.579%0.78856%0.561SS**SBendtrans-128.7-33.8177.5-171.60000115.5
116V38.2Very low47.1Very low94 Ų94101.2 Ų101.257%0.5756%0.558SS**  trans-154.5101.6166.9-134.50000111.8F118V116-F118 HydrophobicContact CB-CD2 3.65Å; V116-F118 HydrophobicContact CB-CE2 3.37Å; V116-F118 HydrophobicContact CB-CZ 4.12Å; V116-F118 HydrophobicContact CG1-CD2 3.64Å; V116-F118 HydrophobicContact CG1-CE1 4.02Å; V116-F118 HydrophobicContact CG1-CE2 3.01Å; V116-F118 HydrophobicContact CG1-CG 4.38Å; V116-F118 HydrophobicContact CG1-CZ 3.22Å; V116-F118 HydrophobicContact CG2-CE2 4.06Å; V116-F118 PolarHBondContact O-N 3.22Å
117N37.9Very low46.9Very low94 Ų94108 Ų10850%0.50358%0.578SS.*  trans-81.390.4177.4-172.9-8.8000109.7S120N117-S120 PolarHBondContact OD1-OG 2.89Å
118F42.9Very low47.2Very low129 Ų129109.6 Ų109.657%0.56659%0.588SS**  trans-98.4-10.1-179.4-76.2-62000114.8V116V116-F118 HydrophobicContact CB-CD2 3.65Å; V116-F118 HydrophobicContact CB-CE2 3.37Å; V116-F118 HydrophobicContact CB-CZ 4.12Å; V116-F118 HydrophobicContact CG1-CD2 3.64Å; V116-F118 HydrophobicContact CG1-CE1 4.02Å; V116-F118 HydrophobicContact CG1-CE2 3.01Å; V116-F118 HydrophobicContact CG1-CG 4.38Å; V116-F118 HydrophobicContact CG1-CZ 3.22Å; V116-F118 HydrophobicContact CG2-CE2 4.06Å; V116-F118 PolarHBondContact O-N 3.22Å
119N43.5Very low47.7Very low66 Ų66104.6 Ų104.635%0.35358%0.58SS.*SBendtrans-105-32.2-162.4-144.627.9000115D110 V121D110-N119 PolarHBondContact OD1-ND2 2.97Å; N119-V121 VanDerWaalsContact C-N 3.34Å; N119-V121 PolarHBondContact O-N 3.33Å
120S40.6Very low48.3Very low91 Ų91107.8 Ų107.864%0.63660%0.6SS**SBendtrans-87.8-3.3-177.970.30000114.5N117N117-S120 PolarHBondContact OD1-OG 2.89Å
121V42.5Very low49.7Very low44 Ų44104.6 Ų104.627%0.26760%0.597SS.*  trans-145.723.3-171.6-138.90000113.7N119 S123 W124N119-V121 VanDerWaalsContact C-N 3.34Å; N119-V121 PolarHBondContact O-N 3.33Å; V121-S123 PolarHBondContact O-N 3.44Å; V121-W124 HydrophobicContact CB-CD2 3.86Å; V121-W124 HydrophobicContact CB-CG 3.99Å; V121-W124 HydrophobicContact CB-CZ2 3.67Å; V121-W124 HydrophobicContact CG1-CB 4.21Å; V121-W124 HydrophobicContact CG1-CD2 3.15Å; V121-W124 HydrophobicContact CG1-CE3 3.74Å; V121-W124 HydrophobicContact CG1-CG 3.36Å; V121-W124 HydrophobicContact CG1-CH2 4.14Å; V121-W124 HydrophobicContact CG1-CZ2 3.65Å; V121-W124 HydrophobicContact CG1-CZ3 4.19Å; V121-W124 HydrophobicContact CG2-CH2 4.29Å; V121-W124 HydrophobicContact CG2-CZ2 3.58Å; V121-W124 PolarHBondContact O-N 3.22Å; V121-W124 VanDerWaalsContact O-N 3.1Å; V121-W124 PolarHBondContact O-NE1 2.94Å
122G44.6Very low50.7Low25 Ų25107.9 Ų107.926%0.25861%0.61SS.*THydrogen-bonded Turntrans-59.611.9-172.900000118.5M125G122-M125 WeakPolarHBondContact O-CE 3.26Å
123S50Low52.4Low93 Ų93105.9 Ų105.965%0.6561%0.611SS**THydrogen-bonded Turntrans-114.9-14.7175.1-170.70000114.3M1 V121 M125M1-S123 PolarHBondContact O-OG 3.49Å; V121-S123 PolarHBondContact O-N 3.44Å; S123-M125 VanDerWaalsContact C-N 3.28Å; S123-M125 PolarHBondContact O-N 3.46Å
124W48Very low54Low156 Ų156108.8 Ų108.859%0.59162%0.621SS**  trans-92.435.3179.175-12.1000112.6V121 I126V121-W124 HydrophobicContact CB-CD2 3.86Å; V121-W124 HydrophobicContact CB-CG 3.99Å; V121-W124 HydrophobicContact CB-CZ2 3.67Å; V121-W124 HydrophobicContact CG1-CB 4.21Å; V121-W124 HydrophobicContact CG1-CD2 3.15Å; V121-W124 HydrophobicContact CG1-CE3 3.74Å; V121-W124 HydrophobicContact CG1-CG 3.36Å; V121-W124 HydrophobicContact CG1-CH2 4.14Å; V121-W124 HydrophobicContact CG1-CZ2 3.65Å; V121-W124 HydrophobicContact CG1-CZ3 4.19Å; V121-W124 HydrophobicContact CG2-CH2 4.29Å; V121-W124 HydrophobicContact CG2-CZ2 3.58Å; V121-W124 PolarHBondContact O-N 3.22Å; V121-W124 VanDerWaalsContact O-N 3.1Å; V121-W124 PolarHBondContact O-NE1 2.94Å; W124-I126 CarbonylContact O-C 3.56Å; W124-I126 PolarHBondContact O-N 3.21Å
125M56.3Low56Low63 Ų63108.5 Ų108.531%0.3161%0.614SS.*  trans-66.1-11.1-174.8-66.6177175.700113.3L5 F46 G122 S123L5-M125 HydrophobicContact CB-SD 3.87Å; L5-M125 HydrophobicContact CD1-CB 4.28Å; L5-M125 HydrophobicContact CD1-SD 3.93Å; F46-M125 HydrophobicContact CE1-CB 4.38Å; G122-M125 WeakPolarHBondContact O-CE 3.26Å; S123-M125 VanDerWaalsContact C-N 3.28Å; S123-M125 PolarHBondContact O-N 3.46Å
126I59.6Low57.8Low99 Ų99109.1 Ų109.151%0.50860%0.603SS.*  trans-95.7105.6167.6-62.9160.5000106.3F46 W124 E128F46-I126 HydrophobicContact CD1-CG1 4.39Å; W124-I126 CarbonylContact O-C 3.56Å; W124-I126 PolarHBondContact O-N 3.21Å; I126-E128 VanDerWaalsContact CG2-O 3.24Å; I126-E128 WeakPolarHBondContact CG2-O 3.47Å
127Y65Low60.1Low209 Ų209112.7 Ų112.782%0.8261%0.613SS**SBendtrans-66.1-55.8-176.2-72-81.1000111.8
128E71.4Confident62.3Low177 Ų177110 Ų11083%0.82760%0.599SS**SBendtrans-114.2131.6172.4-70.2-174.1167.100108.4I126I126-E128 VanDerWaalsContact CG2-O 3.24Å; I126-E128 WeakPolarHBondContact CG2-O 3.47Å
129G69.5Low64.4Low59 Ų59107 Ų10761%0.60859%0.592SS**  trans-68.2166176.800000111.7G131G129-G131 PolarHBondContact O-N 2.95Å
130E65.6Low66.7Low200 Ų200108 Ų10894%0.93560%0.596SS**  trans-56.8108.5169.761.4-172.8178.400108.5
131G71.6Confident68.9Low61 Ų61106 Ų10663%0.62959%0.591SS**  trans-60.5179.2177.900000111.3G129 G133G129-G131 PolarHBondContact O-N 2.95Å; G131-G133 PolarHBondContact O-N 3.49Å
132S60.9Low71.1Confident131 Ų131105.2 Ų105.292%0.91659%0.589SS**SBendtrans-73.122.6178.357.20000114.6
133G71.5Confident73.3Confident61 Ų61105.9 Ų105.963%0.62960%0.595SS**  trans-67.8135.7-18000000111.8G131 I135G131-G133 PolarHBondContact O-N 3.49Å; G133-I135 PolarHBondContact O-N 3.19Å
134L73.2Confident75.3Confident178 Ų178103 Ų10393%0.93258%0.577SS**SBendtrans-71.9-13.4175.6-65.8174.3000113
135I80.3Confident77.4Confident118 Ų11898.6 Ų98.661%0.60557%0.565SS**SBendtrans-132.2136-170.8-41.7173.7000109.6G133 I140G133-I135 PolarHBondContact O-N 3.19Å; I135-I140 HydrophobicContact CB-CD1 3.48Å; I135-I140 VanDerWaalsContact CB-CD1 3.48Å; I135-I140 HydrophobicContact CB-CG1 4.41Å; I135-I140 HydrophobicContact CD1-CD1 4.15Å; I135-I140 HydrophobicContact CG1-CD1 4.41Å; I135-I140 HydrophobicContact CG2-CD1 3.18Å; I135-I140 HydrophobicContact CG2-CG1 3.56Å
136R81.6Confident79.1Confident144 Ų144104 Ų10454%0.54358%0.583SS.*  trans-72.2143.6174.2-65.8175.970.8177.66.6110.7G47 P139G47-R136 PolarHBondContact O-NH2 3.11Å; R136-P139 WeakPolarHBondContact O-CD 3.31Å
137E85.1Confident80.6Confident169 Ų169103.7 Ų103.779%0.7958%0.583SS**Hα-helixtrans-68.2-43.3-171-59.6-178.6177.100113.1I140 G141E137-I140 PolarHBondContact O-N 2.96Å; E137-G141 PolarHBondContact O-N 3.36Å
138D84.5Confident81.9Confident38 Ų38103.2 Ų103.220%0.20358%0.58CS.*Hα-helixtrans-54.5-53.8-171.9-43.3-32.5000115G48 G49 Y50 M51 I140 G141 A142G48-D138 WeakPolarHBondContact CA-OD2 3.37Å; G49-D138 PolarHBondContact N-OD2 3.24Å; Y50-D138 HydrophobicContact CD1-CB 4.38Å; Y50-D138 HydrophobicContact CG-CB 4.49Å; Y50-D138 PolarHBondContact N-OD2 3.41Å; M51-D138 HydrophobicContact CG-CB 4.32Å; D138-I140 VanDerWaalsContact C-N 3.31Å; D138-I140 PolarHBondContact O-N 2.92Å; D138-G141 PolarHBondContact O-N 2.89Å; D138-A142 WeakPolarHBondContact O-CB 3.48Å; D138-A142 PolarHBondContact O-N 3.39Å
139P86.9Confident82.9Confident64 Ų6495.6 Ų95.642%0.41655%0.549SS..Hα-helixtrans-69.5-29.2-176.928.5-36.5000112.6R136 G143R136-P139 WeakPolarHBondContact O-CD 3.31Å; P139-G143 PolarHBondContact O-N 2.96Å
140I90.9Very high84Confident87 Ų87101.4 Ų101.445%0.44655%0.553SS.*Hα-helixtrans-69.1-47.8176.2-58.9168.2000109.6I135 E137 D138 A142 G143 A144I135-I140 HydrophobicContact CB-CD1 3.48Å; I135-I140 VanDerWaalsContact CB-CD1 3.48Å; I135-I140 HydrophobicContact CB-CG1 4.41Å; I135-I140 HydrophobicContact CD1-CD1 4.15Å; I135-I140 HydrophobicContact CG1-CD1 4.41Å; I135-I140 HydrophobicContact CG2-CD1 3.18Å; I135-I140 HydrophobicContact CG2-CG1 3.56Å; E137-I140 PolarHBondContact O-N 2.96Å; D138-I140 VanDerWaalsContact C-N 3.31Å; D138-I140 PolarHBondContact O-N 2.92Å; I140-A142 VanDerWaalsContact C-N 3.28Å; I140-A142 PolarHBondContact O-N 2.96Å; I140-G143 PolarHBondContact O-N 3.42Å; I140-G143 VanDerWaalsContact O-N 3.1Å; I140-A144 PolarHBondContact O-N 3.23Å
141G88Confident85.4Confident51 Ų51102 Ų10253%0.52655%0.547SS..Hα-helixtrans-60-39.9177.300000112.1E137 D138 A144E137-G141 PolarHBondContact O-N 3.36Å; D138-G141 PolarHBondContact O-N 2.89Å; G141-A144 WeakPolarHBondContact O-CB 3.48Å; G141-A144 PolarHBondContact O-N 2.88Å
142A89.1Confident86.6Confident27 Ų27103.6 Ų103.622%0.22354%0.541CS..Hα-helixtrans-66.3-37.5173.900000113Y50 D138 I140 A144 L145Y50-A142 HydrophobicContact CD1-CB 3.89Å; Y50-A142 HydrophobicContact CE1-CB 3.17Å; D138-A142 WeakPolarHBondContact O-CB 3.48Å; D138-A142 PolarHBondContact O-N 3.39Å; I140-A142 VanDerWaalsContact C-N 3.28Å; I140-A142 PolarHBondContact O-N 2.96Å; A142-A144 VanDerWaalsContact C-N 3.32Å; A142-L145 WeakPolarHBondContact O-CB 3.38Å; A142-L145 PolarHBondContact O-N 3.42Å
143G90Very high88.2Confident38 Ų3899.8 Ų99.839%0.39251%0.511SS..Hα-helixtrans-65.9-33.9174.700000113.2P139 I140 L145 Y146P139-G143 PolarHBondContact O-N 2.96Å; I140-G143 PolarHBondContact O-N 3.42Å; I140-G143 VanDerWaalsContact O-N 3.1Å; G143-L145 PolarHBondContact O-N 3.49Å; G143-Y146 PolarHBondContact O-N 3.42Å; G143-Y146 VanDerWaalsContact O-N 3.12Å
144A92.4Very high89.4Confident33 Ų33101.2 Ų101.227%0.27351%0.508SS..Hα-helixtrans-64.6-8.1177.600000113.8I140 G141 A142 Y146 D147 Y148 G149I140-A144 PolarHBondContact O-N 3.23Å; G141-A144 WeakPolarHBondContact O-CB 3.48Å; G141-A144 PolarHBondContact O-N 2.88Å; A142-A144 VanDerWaalsContact C-N 3.32Å; A144-Y146 VanDerWaalsContact C-N 3.25Å; A144-Y146 PolarHBondContact O-N 2.92Å; A144-D147 WeakPolarHBondContact CA-OD1 3.2Å; A144-Y148 HydrophobicContact CB-CD2 4.15Å; A144-Y148 PolarHBondContact O-N 3.4Å; A144-G149 PolarHBondContact O-N 2.64Å
145L92.3Very high90.6Very high63 Ų6396.8 Ų96.833%0.3349%0.488SS..Hα-helixtrans-69.6-24.9174-167.2141000111.9A142 G143 G149 L152 V153A142-L145 WeakPolarHBondContact O-CB 3.38Å; A142-L145 PolarHBondContact O-N 3.42Å; G143-L145 PolarHBondContact O-N 3.49Å; L145-G149 CarbonylContact O-C 3.1Å; L145-G149 WeakPolarHBondContact O-CA 3.24Å; L145-G149 PolarHBondContact O-N 3.23Å; L145-L152 HydrophobicContact CD1-CD2 4.09Å; L145-V153 HydrophobicContact CD2-CG2 3.29Å; L145-V153 HydrophobicContact CG-CG2 4.34Å; L145-V153 WeakPolarHBondContact O-CG2 3.17Å
146Y92.2Very high91.3Very high177 Ų17794.1 Ų94.169%0.69448%0.477SS*.Hα-helixtrans-87.2-30.4-177.5-68.6-72.2000114.2G143 A144 V153G143-Y146 PolarHBondContact O-N 3.42Å; G143-Y146 VanDerWaalsContact O-N 3.12Å; A144-Y146 VanDerWaalsContact C-N 3.25Å; A144-Y146 PolarHBondContact O-N 2.92Å; Y146-V153 HydrophobicContact CD1-CG2 4.44Å
147D91.1Very high92.1Very high93 Ų9389.1 Ų89.150%0.49747%0.47SS..Hα-helixtrans-90.8-55.2178.658.9-9.8000111.8A144 R150A144-D147 WeakPolarHBondContact CA-OD1 3.2Å; D147-R150 WeakPolarHBondContact O-CG 3.33Å
148Y91.1Very high92.7Very high198 Ų19889.1 Ų89.178%0.77646%0.463SS*.THydrogen-bonded Turntrans-85.6-40.4179.7-61.9-76.4000111.7A144 R150A144-Y148 HydrophobicContact CB-CD2 4.15Å; A144-Y148 PolarHBondContact O-N 3.4Å; Y148-R150 PolarHBondContact O-N 3.46Å; Y148-R150 VanDerWaalsContact O-N 3.08Å
149G93.1Very high93.3Very high17 Ų1791.2 Ų91.218%0.17548%0.478CS..  trans-79.523-173.400000116.2A144 L145 W151 L152 V153A144-G149 PolarHBondContact O-N 2.64Å; L145-G149 CarbonylContact O-C 3.1Å; L145-G149 WeakPolarHBondContact O-CA 3.24Å; L145-G149 PolarHBondContact O-N 3.23Å; G149-W151 VanDerWaalsContact C-N 3.3Å; G149-W151 PolarHBondContact O-N 3.42Å; G149-L152 WeakPolarHBondContact O-CA 3.13Å; G149-L152 VanDerWaalsContact O-CB 3.31Å; G149-L152 WeakPolarHBondContact O-CB 3.38Å; G149-L152 PolarHBondContact O-N 2.87Å; G149-V153 PolarHBondContact O-N 2.96Å
150R93.6Very high93.7Very high181 Ų18194.3 Ų94.368%0.68349%0.49SS*.Hα-helixtrans-53-43.5-173-64.2176.667.7-175.12.2113.6D147 Y148 V153 V154D147-R150 WeakPolarHBondContact O-CG 3.33Å; Y148-R150 PolarHBondContact O-N 3.46Å; Y148-R150 VanDerWaalsContact O-N 3.08Å; R150-V153 PolarHBondContact O-N 3.15Å; R150-V154 WeakPolarHBondContact O-CG2 3.47Å; R150-V154 PolarHBondContact O-N 2.86Å; R150-V154 VanDerWaalsContact O-N 3.07Å
151W94.9Very high94Very high213 Ų21395 Ų9581%0.80749%0.49SS*.Hα-helixtrans-65.9-38.5176.9-79.5109.7000112.5G149 V153 V154 V155G149-W151 VanDerWaalsContact C-N 3.3Å; G149-W151 PolarHBondContact O-N 3.42Å; W151-V153 VanDerWaalsContact C-N 3.33Å; W151-V153 PolarHBondContact O-N 3.38Å; W151-V154 PolarHBondContact O-N 3.35Å; W151-V155 WeakPolarHBondContact O-CG2 3.26Å; W151-V155 PolarHBondContact O-N 3.38Å
152L94.9Very high94.5Very high95 Ų9595 Ų9550%0.49748%0.48SS..Hα-helixtrans-63-43.1176.9-161.6160.6000109.9L145 G149 V154 V155 T156L145-L152 HydrophobicContact CD1-CD2 4.09Å; G149-L152 WeakPolarHBondContact O-CA 3.13Å; G149-L152 VanDerWaalsContact O-CB 3.31Å; G149-L152 WeakPolarHBondContact O-CB 3.38Å; G149-L152 PolarHBondContact O-N 2.87Å; L152-V154 PolarHBondContact O-N 3.32Å; L152-V155 PolarHBondContact O-N 3.47Å; L152-T156 HydrophobicContact CD2-CG2 3.66Å; L152-T156 WeakPolarHBondContact O-CG2 3.49Å; L152-T156 PolarHBondContact O-N 3.08Å; L152-T156 PolarHBondContact O-OG1 2.74Å
153V95.9Very high94.9Very high50 Ų5094.9 Ų94.930%0.30348%0.482SS..Hα-helixtrans-58.5-45.7173.9177.50000112L145 Y146 G149 R150 W151 V155 T156 G157L145-V153 HydrophobicContact CD2-CG2 3.29Å; L145-V153 HydrophobicContact CG-CG2 4.34Å; L145-V153 WeakPolarHBondContact O-CG2 3.17Å; Y146-V153 HydrophobicContact CD1-CG2 4.44Å; G149-V153 PolarHBondContact O-N 2.96Å; R150-V153 PolarHBondContact O-N 3.15Å; W151-V153 VanDerWaalsContact C-N 3.33Å; W151-V153 PolarHBondContact O-N 3.38Å; V153-V155 VanDerWaalsContact C-N 3.34Å; V153-V155 PolarHBondContact O-N 3.27Å; V153-T156 PolarHBondContact O-OG1 3.1Å; V153-G157 PolarHBondContact O-N 3.44Å
154V97Very high95.2Very high91 Ų9197.3 Ų97.355%0.55249%0.488SS*.Hα-helixtrans-62.3-44.7179.6172.40000110.5R150 W151 L152 W158R150-V154 WeakPolarHBondContact O-CG2 3.47Å; R150-V154 PolarHBondContact O-N 2.86Å; R150-V154 VanDerWaalsContact O-N 3.07Å; W151-V154 PolarHBondContact O-N 3.35Å; L152-V154 PolarHBondContact O-N 3.32Å; V154-W158 VanDerWaalsContact O-CB 3.24Å; V154-W158 WeakPolarHBondContact O-CB 3.48Å; V154-W158 PolarHBondContact O-N 2.95Å
155V97.8Very high95.4Very high86 Ų86101.7 Ų101.752%0.52150%0.499SS..Hα-helixtrans-67.4-47.1-179.8174.80000111.3W151 L152 V153 W158 T159W151-V155 WeakPolarHBondContact O-CG2 3.26Å; W151-V155 PolarHBondContact O-N 3.38Å; L152-V155 PolarHBondContact O-N 3.47Å; V153-V155 VanDerWaalsContact C-N 3.34Å; V153-V155 PolarHBondContact O-N 3.27Å; V155-W158 PolarHBondContact O-N 3.18Å; V155-T159 HydrophobicContact CG1-CG2 4.41Å; V155-T159 WeakPolarHBondContact O-CG2 3.42Å; V155-T159 PolarHBondContact O-N 3.34Å; V155-T159 PolarHBondContact O-OG1 2.92Å
156T95.8Very high95.6Very high61 Ų61102.7 Ų102.737%0.37450%0.504SS..Hα-helixtrans-67.8-37.3-179.954.90000112.5L152 V153 W158 T159 L160L152-T156 HydrophobicContact CD2-CG2 3.66Å; L152-T156 WeakPolarHBondContact O-CG2 3.49Å; L152-T156 PolarHBondContact O-N 3.08Å; L152-T156 PolarHBondContact O-OG1 2.74Å; V153-T156 PolarHBondContact O-OG1 3.1Å; T156-W158 VanDerWaalsContact C-N 3.35Å; T156-T159 WeakPolarHBondContact CA-OG1 3.27Å; T156-T159 PolarHBondContact O-OG1 3.08Å; T156-L160 WeakPolarHBondContact O-CG 3.36Å; T156-L160 PolarHBondContact O-N 3.1Å; T156-L160 VanDerWaalsContact O-N 3.14Å
157G96.8Very high95.8Very high39 Ų3999 Ų9940%0.40250%0.499SS..Hα-helixtrans-62.8-42.5172.200000111.8V153 F161V153-G157 PolarHBondContact O-N 3.44Å; G157-F161 WeakPolarHBondContact O-CB 3.48Å; G157-F161 PolarHBondContact O-N 2.89Å
158W97.6Very high96Very high169 Ų16999.1 Ų99.164%0.6450%0.499SS*.Hα-helixtrans-67.2-42.2178.2-170.3-99.1000112.7V154 V155 T156 L160 F161 V162V154-W158 VanDerWaalsContact O-CB 3.24Å; V154-W158 WeakPolarHBondContact O-CB 3.48Å; V154-W158 PolarHBondContact O-N 2.95Å; V155-W158 PolarHBondContact O-N 3.18Å; T156-W158 VanDerWaalsContact C-N 3.35Å; W158-L160 PolarHBondContact O-N 3.15Å; W158-F161 HydrophobicContact CE3-CD1 4.41Å; W158-F161 HydrophobicContact CZ3-CD1 4.32Å; W158-F161 HydrophobicContact CZ3-CE1 4.47Å; W158-F161 PolarHBondContact O-N 3.29Å; W158-V162 HydrophobicContact CD2-CG2 4.39Å; W158-V162 HydrophobicContact CG-CG2 4.45Å; W158-V162 HydrophobicContact CZ2-CG2 4.31Å; W158-V162 WeakPolarHBondContact O-CG2 3.5Å; W158-V162 PolarHBondContact O-N 3.4Å
159T97.8Very high96.2Very high83 Ų8396.4 Ų96.451%0.50949%0.493SS..Hα-helixtrans-64.9-39.9178.555.60000112V155 T156 G163V155-T159 HydrophobicContact CG1-CG2 4.41Å; V155-T159 WeakPolarHBondContact O-CG2 3.42Å; V155-T159 PolarHBondContact O-N 3.34Å; V155-T159 PolarHBondContact O-OG1 2.92Å; T156-T159 WeakPolarHBondContact CA-OG1 3.27Å; T156-T159 PolarHBondContact O-OG1 3.08Å; T159-G163 WeakPolarHBondContact O-CA 3.29Å; T159-G163 PolarHBondContact O-N 3.26Å
160L96Very high96.3Very high128 Ų128101.5 Ų101.567%0.6752%0.515SS*.Hα-helixtrans-66.4-42.2174.2-69.9175.8000111.7T156 W158 G163 V164T156-L160 WeakPolarHBondContact O-CG 3.36Å; T156-L160 PolarHBondContact O-N 3.1Å; T156-L160 VanDerWaalsContact O-N 3.14Å; W158-L160 PolarHBondContact O-N 3.15Å; L160-G163 PolarHBondContact O-N 3.49Å; L160-V164 PolarHBondContact O-N 3.46Å; L160-V164 VanDerWaalsContact O-N 3.12Å
161F97.7Very high96.3Very high102 Ų10296 Ų9645%0.44751%0.508SS..Hα-helixtrans-59.8-50.8177.1178.8-108000111.8G157 W158 G163 V164 Y165G157-F161 WeakPolarHBondContact O-CB 3.48Å; G157-F161 PolarHBondContact O-N 2.89Å; W158-F161 HydrophobicContact CE3-CD1 4.41Å; W158-F161 HydrophobicContact CZ3-CD1 4.32Å; W158-F161 HydrophobicContact CZ3-CE1 4.47Å; W158-F161 PolarHBondContact O-N 3.29Å; F161-G163 VanDerWaalsContact C-N 3.3Å; F161-G163 PolarHBondContact O-N 2.7Å; F161-V164 PolarHBondContact O-N 3.48Å; F161-Y165 HydrophobicContact CD1-CD2 4.47Å; F161-Y165 HydrophobicContact CD1-CE2 4.01Å; F161-Y165 HydrophobicContact CD2-CE2 4.14Å; F161-Y165 HydrophobicContact CE1-CD2 4.32Å; 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 4.31Å; 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 3.88Å; F161-Y165 WeakPolarHBondContact CZ-OH 3.45Å; F161-Y165 VanDerWaalsContact O-CD2 3.27Å; F161-Y165 WeakPolarHBondContact O-CD2 3.36Å
162V97.9Very high96.1Very high50 Ų5095.6 Ų95.630%0.30351%0.507SS..Hα-helixtrans-65.3-36.2176.4177.70000111W158 V164 Y165 I166W158-V162 HydrophobicContact CD2-CG2 4.39Å; W158-V162 HydrophobicContact CG-CG2 4.45Å; W158-V162 HydrophobicContact CZ2-CG2 4.31Å; W158-V162 WeakPolarHBondContact O-CG2 3.5Å; W158-V162 PolarHBondContact O-N 3.4Å; V162-V164 VanDerWaalsContact C-N 3.26Å; V162-V164 PolarHBondContact O-N 3.12Å; V162-Y165 PolarHBondContact O-N 2.8Å; V162-Y165 VanDerWaalsContact O-N 3.08Å; V162-I166 HydrophobicContact CG1-CD1 3.8Å; V162-I166 HydrophobicContact CG1-CG1 4.14Å; V162-I166 WeakPolarHBondContact O-CG1 3.24Å; V162-I166 PolarHBondContact O-N 3.37Å
163G96.9Very high95.6Very high26 Ų2694.4 Ų94.427%0.26852%0.517SS..Hα-helixtrans-55.2-39.2175.600000113.2T159 L160 F161 I166 V167T159-G163 WeakPolarHBondContact O-CA 3.29Å; T159-G163 PolarHBondContact O-N 3.26Å; L160-G163 PolarHBondContact O-N 3.49Å; F161-G163 VanDerWaalsContact C-N 3.3Å; F161-G163 PolarHBondContact O-N 2.7Å; G163-I166 PolarHBondContact O-N 3.03Å; G163-V167 WeakPolarHBondContact O-CG2 3.43Å; G163-V167 PolarHBondContact O-N 3.5Å
164V96.6Very high93.9Very high88 Ų88102.3 Ų102.353%0.53356%0.558SS.*Hα-helixtrans-61.8-46.5174.7174.60000111.4L160 F161 V162 I166 V167 I168L160-V164 PolarHBondContact O-N 3.46Å; L160-V164 VanDerWaalsContact O-N 3.12Å; F161-V164 PolarHBondContact O-N 3.48Å; V162-V164 VanDerWaalsContact C-N 3.26Å; V162-V164 PolarHBondContact O-N 3.12Å; V164-I166 PolarHBondContact O-N 2.82Å; V164-V167 PolarHBondContact O-N 3.31Å; V164-I168 HydrophobicContact CG1-CD1 3.81Å; V164-I168 VanDerWaalsContact O-CG1 3.31Å; V164-I168 WeakPolarHBondContact O-CG1 3.38Å; V164-I168 PolarHBondContact O-N 3.37Å
165Y96.3Very high93.8Very high125 Ų125102.9 Ų102.949%0.4956%0.558SS.*Hα-helixtrans-63.4-42.4177.6-70.1-76.3000112.2F161 V162 V167 I168 E169F161-Y165 HydrophobicContact CD1-CD2 4.47Å; F161-Y165 HydrophobicContact CD1-CE2 4.01Å; F161-Y165 HydrophobicContact CD2-CE2 4.14Å; F161-Y165 HydrophobicContact CE1-CD2 4.32Å; 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 4.31Å; 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 3.88Å; F161-Y165 WeakPolarHBondContact CZ-OH 3.45Å; F161-Y165 VanDerWaalsContact O-CD2 3.27Å; F161-Y165 WeakPolarHBondContact O-CD2 3.36Å; V162-Y165 PolarHBondContact O-N 2.8Å; V162-Y165 VanDerWaalsContact O-N 3.08Å; Y165-V167 VanDerWaalsContact C-N 3.34Å; Y165-V167 PolarHBondContact O-N 3.13Å; Y165-I168 PolarHBondContact O-N 2.68Å; Y165-E169 WeakPolarHBondContact O-CG 3.39Å; Y165-E169 PolarHBondContact O-N 2.68Å
166I97.1Very high93.5Very high85 Ų85103.7 Ų103.744%0.43656%0.56SS.*Hα-helixtrans-57.5-49.4176.9-68.1168.6000110.2V162 G163 V164 I168 E169 I170V162-I166 HydrophobicContact CG1-CD1 3.8Å; V162-I166 HydrophobicContact CG1-CG1 4.14Å; V162-I166 WeakPolarHBondContact O-CG1 3.24Å; V162-I166 PolarHBondContact O-N 3.37Å; G163-I166 PolarHBondContact O-N 3.03Å; V164-I166 PolarHBondContact O-N 2.82Å; I166-I168 VanDerWaalsContact C-N 3.33Å; I166-I168 PolarHBondContact O-N 3.16Å; I166-E169 PolarHBondContact O-N 3.31Å; I166-I170 HydrophobicContact CG2-CD1 3.58Å; I166-I170 HydrophobicContact CG2-CG1 4.37Å; I166-I170 WeakPolarHBondContact O-CB 3.28Å; I166-I170 VanDerWaalsContact O-CG1 3.23Å; I166-I170 WeakPolarHBondContact O-CG1 3.43Å; I166-I170 PolarHBondContact O-N 2.91Å
167V95.5Very high93.4Very high98 Ų98106.1 Ų106.159%0.59457%0.57SS**Hα-helixtrans-63-39.9-179.8173.60000111.4G163 V164 Y165 A171G163-V167 WeakPolarHBondContact O-CG2 3.43Å; G163-V167 PolarHBondContact O-N 3.5Å; V164-V167 PolarHBondContact O-N 3.31Å; Y165-V167 VanDerWaalsContact C-N 3.34Å; Y165-V167 PolarHBondContact O-N 3.13Å; V167-A171 WeakPolarHBondContact O-CB 3.43Å; V167-A171 PolarHBondContact O-N 3.06Å
168I95.9Very high93.2Very high97 Ų97110.1 Ų110.150%0.49758%0.58SS.*Hα-helixtrans-65.1-45.8177-68.8168000111.4V164 Y165 I166 A171 R172V164-I168 HydrophobicContact CG1-CD1 3.81Å; V164-I168 VanDerWaalsContact O-CG1 3.31Å; V164-I168 WeakPolarHBondContact O-CG1 3.38Å; V164-I168 PolarHBondContact O-N 3.37Å; Y165-I168 PolarHBondContact O-N 2.68Å; I166-I168 VanDerWaalsContact C-N 3.33Å; I166-I168 PolarHBondContact O-N 3.16Å; I168-A171 PolarHBondContact O-N 3.1Å; I168-R172 VanDerWaalsContact O-CB 3.3Å; I168-R172 WeakPolarHBondContact O-CB 3.24Å; I168-R172 PolarHBondContact O-N 3.33Å
169E95.8Very high92.9Very high140 Ų140106.4 Ų106.465%0.65458%0.576SS**Hα-helixtrans-65.3-38.9179.9-74.5-173.1169.900112.1Y165 I166Y165-E169 WeakPolarHBondContact O-CG 3.39Å; Y165-E169 PolarHBondContact O-N 2.68Å; I166-E169 PolarHBondContact O-N 3.31Å
170I95.1Very high92.6Very high125 Ų125107.9 Ų107.964%0.64158%0.581SS**Hα-helixtrans-65.9-48.8174.8-66.8169.6000110.4I166 R172 G173I166-I170 HydrophobicContact CG2-CD1 3.58Å; I166-I170 HydrophobicContact CG2-CG1 4.37Å; I166-I170 WeakPolarHBondContact O-CB 3.28Å; I166-I170 VanDerWaalsContact O-CG1 3.23Å; I166-I170 WeakPolarHBondContact O-CG1 3.43Å; I166-I170 PolarHBondContact O-N 2.91Å; I170-R172 VanDerWaalsContact C-N 3.31Å; I170-R172 PolarHBondContact O-N 3.48Å; I170-G173 PolarHBondContact O-N 2.86Å
171A92.5Very high92.4Very high65 Ų65106.5 Ų106.554%0.53757%0.574SS.*Hα-helixtrans-70.1-25-176.700000113.5V167 I168 G173V167-A171 WeakPolarHBondContact O-CB 3.43Å; V167-A171 PolarHBondContact O-N 3.06Å; I168-A171 PolarHBondContact O-N 3.1Å; A171-G173 PolarHBondContact O-N 3.37Å
172R92.3Very high92Very high205 Ų205106.8 Ų106.877%0.77458%0.584SS**THydrogen-bonded Turntrans-71.8-17.3175.3-162.4-178.478.8-174.71.1113I168 I170 N174I168-R172 VanDerWaalsContact O-CB 3.3Å; I168-R172 WeakPolarHBondContact O-CB 3.24Å; I168-R172 PolarHBondContact O-N 3.33Å; I170-R172 VanDerWaalsContact C-N 3.31Å; I170-R172 PolarHBondContact O-N 3.48Å; R172-N174 VanDerWaalsContact C-N 3.25Å
173G84.2Confident91.5Very high69 Ų69111.6 Ų111.671%0.71161%0.608SS**THydrogen-bonded Turntrans-78.5-5.2178.100000114.8I170 A171I170-G173 PolarHBondContact O-N 2.86Å; A171-G173 PolarHBondContact O-N 3.37Å
174N59.7Low91Very high216 Ų216119.4 Ų119.4100%1.15564%0.638SS**  trans-860170.7-99.59.9000112.4R172R172-N174 VanDerWaalsContact C-N 3.25Å

Retrieved 174 of 174 residues in 123 ms (Link to these results)

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