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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 A0A023I852, 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
1M51.3Low77.7Confident241 Ų24187.2 Ų87.2100%1.18747%0.468SS*.  080.20-73.4-141.9-175.800108.3
2M55.9Low78.8Confident118 Ų11882.9 Ų82.958%0.58145%0.445SS*.  trans-140.5-0.4-159.7-164.4172.1-8400115
3Y69.6Low79.7Confident137 Ų13781.6 Ų81.654%0.53744%0.441SS..SBendtrans-141.517.9179.6-64-79.8000112.8L5 F6 L7Y3-L5 PolarHBondContact O-N 3.44Å; Y3-F6 HydrophobicContact CD1-CB 4.48Å; Y3-F6 HydrophobicContact CD1-CD1 4.32Å; Y3-F6 PolarHBondContact O-N 3.48Å; Y3-L7 WeakPolarHBondContact O-CB 3.23Å; Y3-L7 VanDerWaalsContact O-CG 3.29Å; Y3-L7 WeakPolarHBondContact O-CG 3.46Å; Y3-L7 PolarHBondContact O-N 3.48Å
4A77.3Confident80.4Confident66 Ų6682 Ų8255%0.54544%0.44SS..Hα-helixtrans-61.7-48-17200000112.3L7 L8A4-L7 PolarHBondContact O-N 3.22Å; A4-L8 WeakPolarHBondContact O-CG 3.22Å; A4-L8 PolarHBondContact O-N 2.89Å
5L82.1Confident81Confident32 Ų3277.3 Ų77.317%0.16842%0.418CS..Hα-helixtrans-68.5-37176.9-66.4172.9000112.4Y3 L8 S9 N45 F46 M125Y3-L5 PolarHBondContact O-N 3.44Å; L5-L8 HydrophobicContact CD2-CD1 4.35Å; L5-L8 PolarHBondContact O-N 3.36Å; L5-S9 WeakPolarHBondContact O-CB 3.38Å; L5-S9 PolarHBondContact O-N 2.98Å; L5-S9 PolarHBondContact O-OG 3.41Å; L5-N45 HydrophobicContact CD2-CB 3.52Å; L5-F46 HydrophobicContact CD1-CE1 3.97Å; L5-F46 HydrophobicContact CD1-CE2 4.48Å; L5-F46 HydrophobicContact CD1-CZ 3.83Å; L5-M125 HydrophobicContact CB-SD 4.11Å; L5-M125 HydrophobicContact CD1-SD 4.2Å
6F82.8Confident81.5Confident78 Ų7878.3 Ų78.334%0.34242%0.418SS..Hα-helixtrans-61.2-48.3174.7179.6-103.4000111.2Y3 L8 S9 V10 V103Y3-F6 HydrophobicContact CD1-CB 4.48Å; Y3-F6 HydrophobicContact CD1-CD1 4.32Å; Y3-F6 PolarHBondContact O-N 3.48Å; F6-L8 PolarHBondContact O-N 2.91Å; F6-S9 PolarHBondContact O-N 3.37Å; F6-S9 VanDerWaalsContact O-N 3.16Å; F6-S9 PolarHBondContact O-OG 2.96Å; F6-V10 HydrophobicContact CD1-CG2 4.46Å; F6-V10 HydrophobicContact CE1-CG2 4.08Å; F6-V10 HydrophobicContact CE2-CG2 4.46Å; F6-V10 HydrophobicContact CZ-CG2 4.08Å; F6-V10 WeakPolarHBondContact O-CG2 3.28Å; F6-V10 PolarHBondContact O-N 3.22Å; F6-V103 HydrophobicContact CZ-CG1 4.02Å; F6-V103 HydrophobicContact CZ-CG2 4Å
7L85.4Confident82Confident116 Ų11675.1 Ų75.161%0.60740%0.402SS*.Hα-helixtrans-62.8-39.5176.3-70.3173.7000112.5Y3 A4 S9 V10 G11Y3-L7 WeakPolarHBondContact O-CB 3.23Å; Y3-L7 VanDerWaalsContact O-CG 3.29Å; Y3-L7 WeakPolarHBondContact O-CG 3.46Å; Y3-L7 PolarHBondContact O-N 3.48Å; A4-L7 PolarHBondContact O-N 3.22Å; L7-S9 VanDerWaalsContact C-N 3.34Å; L7-V10 PolarHBondContact O-N 3.43Å; L7-G11 PolarHBondContact O-N 3.08Å
8L86.7Confident82.2Confident48 Ų4871.2 Ų71.225%0.25138%0.382SS..Hα-helixtrans-63.4-41.1173.6-75.3164.9000111.6A4 L5 F6 G11 L12 V38 V41 I42A4-L8 WeakPolarHBondContact O-CG 3.22Å; A4-L8 PolarHBondContact O-N 2.89Å; L5-L8 HydrophobicContact CD2-CD1 4.35Å; L5-L8 PolarHBondContact O-N 3.36Å; F6-L8 PolarHBondContact O-N 2.91Å; L8-G11 PolarHBondContact O-N 3.43Å; L8-L12 PolarHBondContact O-N 3.02Å; L8-V38 HydrophobicContact CB-CG1 4.39Å; L8-V38 HydrophobicContact CD2-CG1 4.1Å; L8-V38 VanDerWaalsContact O-CG1 3.26Å; L8-V38 WeakPolarHBondContact O-CG1 3.2Å; L8-V41 HydrophobicContact CD1-CG1 3.92Å; L8-V41 HydrophobicContact CD2-CG1 4.2Å; L8-I42 HydrophobicContact CB-CD1 4.15Å; L8-I42 HydrophobicContact CB-CG1 3.77Å
9S85.6Confident82.4Confident49 Ų4971.4 Ų71.434%0.34338%0.379SS..Hα-helixtrans-65.1-41176.8720000111.9L5 F6 L7 G11 L12 V13L5-S9 WeakPolarHBondContact O-CB 3.38Å; L5-S9 PolarHBondContact O-N 2.98Å; L5-S9 PolarHBondContact O-OG 3.41Å; F6-S9 PolarHBondContact O-N 3.37Å; F6-S9 VanDerWaalsContact O-N 3.16Å; F6-S9 PolarHBondContact O-OG 2.96Å; L7-S9 VanDerWaalsContact C-N 3.34Å; S9-G11 VanDerWaalsContact C-N 3.33Å; S9-G11 PolarHBondContact O-N 2.94Å; S9-L12 WeakPolarHBondContact O-CB 3.33Å; S9-L12 PolarHBondContact O-N 3.29Å; S9-L12 VanDerWaalsContact O-N 3.13Å; S9-V13 WeakPolarHBondContact O-CG2 3.36Å; S9-V13 PolarHBondContact O-N 3.42Å
10V88.4Confident82.7Confident42 Ų4271.5 Ų71.526%0.25539%0.386SS..Hα-helixtrans-60.5-44.5171.51740000110.4F6 L7 L12 V13 M14F6-V10 HydrophobicContact CD1-CG2 4.46Å; F6-V10 HydrophobicContact CE1-CG2 4.08Å; F6-V10 HydrophobicContact CE2-CG2 4.46Å; F6-V10 HydrophobicContact CZ-CG2 4.08Å; F6-V10 WeakPolarHBondContact O-CG2 3.28Å; F6-V10 PolarHBondContact O-N 3.22Å; L7-V10 PolarHBondContact O-N 3.43Å; V10-L12 PolarHBondContact O-N 3.37Å; V10-V13 PolarHBondContact O-N 3.05Å; V10-V13 VanDerWaalsContact O-N 3.15Å; V10-M14 HydrophobicContact CG1-CG 4.4Å; V10-M14 VanDerWaalsContact O-CG 3.29Å; V10-M14 WeakPolarHBondContact O-CG 3.45Å; V10-M14 PolarHBondContact O-N 3.36Å
11G89.4Confident82.8Confident32 Ų3268.4 Ų68.433%0.3337%0.37SS..Hα-helixtrans-59.2-32.4174.700000114L7 L8 S9 G15L7-G11 PolarHBondContact O-N 3.08Å; L8-G11 PolarHBondContact O-N 3.43Å; S9-G11 VanDerWaalsContact C-N 3.33Å; S9-G11 PolarHBondContact O-N 2.94Å; G11-G15 PolarHBondContact O-N 3.05Å; G11-G15 VanDerWaalsContact O-N 3.14Å
12L91.3Very high84.3Confident36 Ų3664.7 Ų64.719%0.18835%0.347CS..Hα-helixtrans-70.3-43.7174.5-175.7152.9000111.5L8 S9 V10 M14 G15 F16 V38 I42L8-L12 PolarHBondContact O-N 3.02Å; S9-L12 WeakPolarHBondContact O-CB 3.33Å; S9-L12 PolarHBondContact O-N 3.29Å; S9-L12 VanDerWaalsContact O-N 3.13Å; V10-L12 PolarHBondContact O-N 3.37Å; L12-M14 VanDerWaalsContact C-N 3.34Å; L12-G15 PolarHBondContact O-N 3.25Å; L12-F16 HydrophobicContact CD2-CD2 3.71Å; L12-F16 HydrophobicContact CD2-CE1 4.25Å; L12-F16 HydrophobicContact CD2-CE2 3.26Å; L12-F16 HydrophobicContact CD2-CG 4.38Å; L12-F16 HydrophobicContact CD2-CZ 3.58Å; L12-F16 HydrophobicContact CG-CE2 4.34Å; L12-F16 HydrophobicContact CG-CZ 4.22Å; L12-F16 PolarHBondContact O-N 3.15Å; L12-V38 HydrophobicContact CB-CG1 4.14Å; L12-I42 HydrophobicContact CB-CD1 4.33Å; L12-I42 HydrophobicContact CD1-CD1 3.85Å
13V90.8Very high85.3Confident66 Ų6659.4 Ų59.440%0.432%0.322SS..Hα-helixtrans-63.7-41.3175.7-168.60000110.7S9 V10 G15 F16 V17 E99S9-V13 WeakPolarHBondContact O-CG2 3.36Å; S9-V13 PolarHBondContact O-N 3.42Å; V10-V13 PolarHBondContact O-N 3.05Å; V10-V13 VanDerWaalsContact O-N 3.15Å; V13-G15 VanDerWaalsContact C-N 3.25Å; V13-G15 PolarHBondContact O-N 3.37Å; V13-F16 CarbonylContact O-C 3.54Å; V13-F16 WeakPolarHBondContact O-CA 3.46Å; V13-F16 WeakPolarHBondContact O-CB 3.35Å; V13-F16 PolarHBondContact O-N 2.91Å; V13-V17 HydrophobicContact CG1-CG2 4.48Å; V13-V17 WeakPolarHBondContact O-CG2 3.43Å; V13-V17 PolarHBondContact O-N 3.46Å; V13-E99 HydrophobicContact CB-CG 4.38Å; V13-E99 WeakPolarHBondContact CB-OE1 3.31Å; V13-E99 HydrophobicContact CG1-CG 3.76Å; V13-E99 WeakPolarHBondContact CG1-OE1 3.38Å
14M88.6Confident86Confident87 Ų8753.6 Ų53.643%0.42930%0.301SS..Hα-helixtrans-56.1-40.7173.6-73.8-71.8-57.200112.2V10 L12 F16 G18 L96 E99V10-M14 HydrophobicContact CG1-CG 4.4Å; V10-M14 VanDerWaalsContact O-CG 3.29Å; V10-M14 WeakPolarHBondContact O-CG 3.45Å; V10-M14 PolarHBondContact O-N 3.36Å; L12-M14 VanDerWaalsContact C-N 3.34Å; M14-F16 VanDerWaalsContact C-N 3.35Å; M14-G18 PolarHBondContact O-N 3.03Å; M14-L96 HydrophobicContact CE-CD2 3.55Å; M14-L96 HydrophobicContact SD-CD2 3.25Å; M14-L96 WeakPolarHBondContact SD-CD2 3.38Å; M14-E99 WeakPolarHBondContact CA-OE1 3.15Å; M14-E99 WeakPolarHBondContact CG-OE2 3.44Å; M14-E99 PolarHBondContact N-OE1 2.96Å; M14-E99 VanDerWaalsContact N-OE1 3.12Å
15G90.1Very high86.4Confident11 Ų1154 Ų5411%0.11330%0.298CS..Hα-helixtrans-63.7-40172.400000112.4G11 L12 V13 G18 F19 V31G11-G15 PolarHBondContact O-N 3.05Å; G11-G15 VanDerWaalsContact O-N 3.14Å; L12-G15 PolarHBondContact O-N 3.25Å; V13-G15 VanDerWaalsContact C-N 3.25Å; V13-G15 PolarHBondContact O-N 3.37Å; G15-G18 PolarHBondContact O-N 3.36Å; G15-F19 PolarHBondContact O-N 3.26Å; G15-F19 VanDerWaalsContact O-N 3.12Å; G15-V31 WeakPolarHBondContact O-CG1 3.35Å
16F88.8Confident86.7Confident94 Ų9456.1 Ų56.141%0.41231%0.309SS..Hα-helixtrans-67.9-39.7177.4-67.8-9.6000113.6L12 V13 M14 G18 F19 S20L12-F16 HydrophobicContact CD2-CD2 3.71Å; L12-F16 HydrophobicContact CD2-CE1 4.25Å; L12-F16 HydrophobicContact CD2-CE2 3.26Å; L12-F16 HydrophobicContact CD2-CG 4.38Å; L12-F16 HydrophobicContact CD2-CZ 3.58Å; L12-F16 HydrophobicContact CG-CE2 4.34Å; L12-F16 HydrophobicContact CG-CZ 4.22Å; L12-F16 PolarHBondContact O-N 3.15Å; V13-F16 CarbonylContact O-C 3.54Å; V13-F16 WeakPolarHBondContact O-CA 3.46Å; V13-F16 WeakPolarHBondContact O-CB 3.35Å; V13-F16 PolarHBondContact O-N 2.91Å; M14-F16 VanDerWaalsContact C-N 3.35Å; F16-G18 VanDerWaalsContact C-N 3.26Å; F16-G18 PolarHBondContact O-N 3.26Å; F16-F19 HydrophobicContact CB-CD1 4.38Å; F16-F19 HydrophobicContact CB-CE1 3.86Å; F16-F19 HydrophobicContact CD1-CD1 4.01Å; F16-F19 AromaticContact CD1-CE1 3.48Å; F16-F19 HydrophobicContact CD1-CE1 3.48Å; F16-F19 VanDerWaalsContact CD1-CE1 3.48Å; 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 3.21Å; F16-S20 WeakPolarHBondContact O-CB 3.34Å; F16-S20 PolarHBondContact O-N 2.96Å
17V90.3Very high86.9Confident23 Ų2356.2 Ų56.214%0.13931%0.308CS..Hα-helixtrans-59.3-42.2170.2174.70000110.3V13 S20 S21 E99V13-V17 HydrophobicContact CG1-CG2 4.48Å; V13-V17 WeakPolarHBondContact O-CG2 3.43Å; V13-V17 PolarHBondContact O-N 3.46Å; V17-S20 PolarHBondContact O-N 3.17Å; V17-S21 PolarHBondContact O-N 2.86Å; V17-S21 VanDerWaalsContact O-N 3.14Å; V17-S21 PolarHBondContact O-OG 2.81Å; V17-E99 WeakPolarHBondContact CG2-OE1 3.39Å
18G85.7Confident86.9Confident5 Ų551.1 Ų51.15%0.05228%0.283CS..Hα-helixtrans-63.5-39-178.700000115M14 G15 F16 S21 P23M14-G18 PolarHBondContact O-N 3.03Å; G15-G18 PolarHBondContact O-N 3.36Å; F16-G18 VanDerWaalsContact C-N 3.26Å; F16-G18 PolarHBondContact O-N 3.26Å; G18-S21 PolarHBondContact O-OG 3.31Å; G18-P23 WeakPolarHBondContact O-CD 3.43Å; G18-P23 WeakPolarHBondContact O-CG 3.37Å
19F86.2Confident87Confident75 Ų7549.2 Ų49.233%0.32928%0.275SS..Hα-helixtrans-86.1-31.5175.789.1-97.8000112.3G15 F16 S21 K22 P23 V31 L32G15-F19 PolarHBondContact O-N 3.26Å; G15-F19 VanDerWaalsContact O-N 3.12Å; F16-F19 HydrophobicContact CB-CD1 4.38Å; F16-F19 HydrophobicContact CB-CE1 3.86Å; F16-F19 HydrophobicContact CD1-CD1 4.01Å; F16-F19 AromaticContact CD1-CE1 3.48Å; F16-F19 HydrophobicContact CD1-CE1 3.48Å; F16-F19 VanDerWaalsContact CD1-CE1 3.48Å; 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 3.21Å; F19-S21 VanDerWaalsContact C-N 3.26Å; F19-S21 PolarHBondContact O-N 3.43Å; F19-K22 PolarHBondContact O-N 3.45Å; F19-K22 VanDerWaalsContact O-N 3.1Å; F19-P23 WeakPolarHBondContact O-CD 3.36Å; F19-V31 HydrophobicContact CB-CB 4.35Å; F19-V31 HydrophobicContact CB-CG1 4.34Å; F19-L32 HydrophobicContact CB-CD2 4.18Å; F19-L32 HydrophobicContact CB-CG 4.18Å; F19-L32 HydrophobicContact CD1-CD2 3.41Å; F19-L32 VanDerWaalsContact CD1-CD2 3.41Å; F19-L32 HydrophobicContact CD1-CG 4.32Å; F19-L32 HydrophobicContact CD2-CD2 4.12Å; F19-L32 HydrophobicContact CE1-CD2 3.78Å; F19-L32 HydrophobicContact CE2-CD2 4.44Å; F19-L32 HydrophobicContact CG-CD2 3.63Å; F19-L32 HydrophobicContact CG-CG 4.12Å; F19-L32 HydrophobicContact CZ-CD2 4.29Å
20S88.2Confident87.2Confident73 Ų7351.7 Ų51.751%0.5128%0.284SS..Hα-helixtrans-72.4-19.4-177.4-176.70000113.3F16 V17 K22F16-S20 WeakPolarHBondContact O-CB 3.34Å; F16-S20 PolarHBondContact O-N 2.96Å; V17-S20 PolarHBondContact O-N 3.17Å; S20-K22 PolarHBondContact O-N 3.31Å; S20-K22 VanDerWaalsContact O-N 3.11Å
21S84.4Confident87.4Confident7 Ų750.5 Ų50.55%0.04928%0.277CS..THydrogen-bonded Turntrans-66.5-1.1169.258.40000113V17 G18 F19 S91V17-S21 PolarHBondContact O-N 2.86Å; V17-S21 VanDerWaalsContact O-N 3.14Å; V17-S21 PolarHBondContact O-OG 2.81Å; G18-S21 PolarHBondContact O-OG 3.31Å; F19-S21 VanDerWaalsContact C-N 3.26Å; F19-S21 PolarHBondContact O-N 3.43Å; S21-S91 WeakPolarHBondContact CA-OG 3.41Å; S21-S91 WeakPolarHBondContact CB-OG 3.14Å
22K83.7Confident87.5Confident163 Ų16350.2 Ų50.271%0.70927%0.268SS*.  trans54.250.8179.9-54.1-174.1-17471.40112.6F19 S20F19-K22 PolarHBondContact O-N 3.45Å; F19-K22 VanDerWaalsContact O-N 3.1Å; S20-K22 PolarHBondContact O-N 3.31Å; S20-K22 VanDerWaalsContact O-N 3.11Å
23P75.8Confident87.6Confident8 Ų852 Ų525%0.05228%0.276CS..  trans-62.6159.8161.234.8-34.8000108.1G18 F19G18-P23 WeakPolarHBondContact O-CD 3.43Å; G18-P23 WeakPolarHBondContact O-CG 3.37Å; F19-P23 WeakPolarHBondContact O-CD 3.36Å
24S84.8Confident87.8Confident15 Ų1553.4 Ų53.411%0.10529%0.285CS..  trans-47.6148.2179.759.10000112.3I26 Y27 G28 E80S24-I26 PolarHBondContact O-N 2.96Å; S24-Y27 PolarHBondContact O-N 2.94Å; S24-Y27 VanDerWaalsContact OG-CD2 3.22Å; S24-Y27 WeakPolarHBondContact OG-CD2 3.24Å; S24-G28 PolarHBondContact O-N 3.43Å; S24-G28 VanDerWaalsContact O-N 3.1Å; S24-E80 PolarHBondContact OG-O 3.14Å
25P86.3Confident88Confident74 Ų7449.5 Ų49.548%0.48127%0.266SS..Hα-helixtrans-54.2-26.1-168.4-29.735.8000115.6G29 F67 T71P25-G29 PolarHBondContact O-N 3.25Å; P25-F67 HydrophobicContact CB-CZ 4.04Å; P25-F67 WeakPolarHBondContact O-CE1 3.34Å; P25-T71 HydrophobicContact CB-CG2 3.38Å; P25-T71 HydrophobicContact CG-CG2 4.45Å
26I86.6Confident88.1Confident76 Ų7649.5 Ų49.539%0.3927%0.266SS..Hα-helixtrans-64.9-50175.6-59.8170.3000110.8S24 G29 L30 I75S24-I26 PolarHBondContact O-N 2.96Å; I26-G29 PolarHBondContact O-N 2.96Å; I26-L30 PolarHBondContact O-N 3.09Å; I26-I75 HydrophobicContact CD1-CD1 4.26Å; I26-I75 HydrophobicContact CD1-CG1 4.34Å
27Y87.2Confident88.4Confident81 Ų8148 Ų4832%0.31826%0.264SS..Hα-helixtrans-69.4-39.2177.7-67.7-60.4000111.6S24 G29 L30 V31 E80 W82S24-Y27 PolarHBondContact O-N 2.94Å; S24-Y27 VanDerWaalsContact OG-CD2 3.22Å; S24-Y27 WeakPolarHBondContact OG-CD2 3.24Å; Y27-G29 VanDerWaalsContact C-N 3.26Å; Y27-G29 PolarHBondContact O-N 3.44Å; Y27-L30 HydrophobicContact CD1-CD1 4.37Å; Y27-L30 PolarHBondContact O-N 3Å; Y27-V31 WeakPolarHBondContact O-CG2 3.33Å; Y27-V31 PolarHBondContact O-N 2.93Å; Y27-V31 VanDerWaalsContact O-N 3.1Å; Y27-E80 WeakPolarHBondContact CD2-O 3.33Å; Y27-E80 WeakPolarHBondContact CE2-O 3.45Å; Y27-W82 AromaticContact CD1-CD1 3.93Å; Y27-W82 AromaticContact CD1-NE1 3.49Å; Y27-W82 AromaticContact CG-CD1 3.88Å; Y27-W82 AromaticContact CG-NE1 3.48Å
28G87.1Confident88.6Confident8 Ų848.2 Ų48.28%0.08227%0.266CS..Hα-helixtrans-55.4-44.3172.400000111.5S24 L30 V31 L32S24-G28 PolarHBondContact O-N 3.43Å; S24-G28 VanDerWaalsContact O-N 3.1Å; G28-L30 PolarHBondContact O-N 3.23Å; G28-V31 PolarHBondContact O-N 2.86Å; G28-L32 WeakPolarHBondContact O-CB 3.46Å; G28-L32 VanDerWaalsContact O-CG 3.29Å; G28-L32 WeakPolarHBondContact O-CG 3.42Å; G28-L32 PolarHBondContact O-N 3.27Å
29G88.6Confident88.9Confident9 Ų948.6 Ų48.69%0.09327%0.27CS..Hα-helixtrans-59-44.517600000113.7P25 I26 Y27 V31 L32 I33 M64P25-G29 PolarHBondContact O-N 3.25Å; I26-G29 PolarHBondContact O-N 2.96Å; Y27-G29 VanDerWaalsContact C-N 3.26Å; Y27-G29 PolarHBondContact O-N 3.44Å; G29-V31 PolarHBondContact O-N 2.89Å; G29-L32 PolarHBondContact O-N 3.27Å; G29-I33 WeakPolarHBondContact O-CG1 3.38Å; G29-I33 PolarHBondContact O-N 3.33Å; G29-M64 WeakPolarHBondContact O-CE 3.34Å
30L88.9Confident89.2Confident101 Ų10145.4 Ų45.453%0.52926%0.257SS..Hα-helixtrans-61.3-43.4177.1-67.8175.1000112.1I26 Y27 G28 I33 V34I26-L30 PolarHBondContact O-N 3.09Å; Y27-L30 HydrophobicContact CD1-CD1 4.37Å; Y27-L30 PolarHBondContact O-N 3Å; G28-L30 PolarHBondContact O-N 3.23Å; L30-I33 PolarHBondContact O-N 3.49Å; L30-V34 WeakPolarHBondContact O-CG2 3.48Å; L30-V34 PolarHBondContact O-N 2.78Å; L30-V34 VanDerWaalsContact O-N 3.09Å
31V92.3Very high89.3Confident17 Ų1744.6 Ų44.610%0.10325%0.249CC..Hα-helixtrans-68.1-38.4179.2-177.70000111.5G15 F19 Y27 G28 G29 I33 V34 S35 W82G15-V31 WeakPolarHBondContact O-CG1 3.35Å; F19-V31 HydrophobicContact CB-CB 4.35Å; F19-V31 HydrophobicContact CB-CG1 4.34Å; Y27-V31 WeakPolarHBondContact O-CG2 3.33Å; Y27-V31 PolarHBondContact O-N 2.93Å; Y27-V31 VanDerWaalsContact O-N 3.1Å; G28-V31 PolarHBondContact O-N 2.86Å; G29-V31 PolarHBondContact O-N 2.89Å; V31-I33 VanDerWaalsContact C-N 3.27Å; V31-I33 PolarHBondContact O-N 3.22Å; V31-V34 PolarHBondContact O-N 3.11Å; V31-S35 WeakPolarHBondContact O-CB 3.39Å; V31-S35 PolarHBondContact O-N 2.88Å; V31-S35 PolarHBondContact O-OG 2.9Å; V31-W82 HydrophobicContact CG2-CH2 3.38Å; V31-W82 HydrophobicContact CG2-CZ2 3.22Å
32L91.6Very high89.6Confident26 Ų2645.6 Ų45.614%0.13625%0.253CS..Hα-helixtrans-63.4-34.1174.4-73.1177.4000112.1F19 G28 G29 S35 G36 M64F19-L32 HydrophobicContact CB-CD2 4.18Å; F19-L32 HydrophobicContact CB-CG 4.18Å; F19-L32 HydrophobicContact CD1-CD2 3.41Å; F19-L32 VanDerWaalsContact CD1-CD2 3.41Å; F19-L32 HydrophobicContact CD1-CG 4.32Å; F19-L32 HydrophobicContact CD2-CD2 4.12Å; F19-L32 HydrophobicContact CE1-CD2 3.78Å; F19-L32 HydrophobicContact CE2-CD2 4.44Å; F19-L32 HydrophobicContact CG-CD2 3.63Å; F19-L32 HydrophobicContact CG-CG 4.12Å; F19-L32 HydrophobicContact CZ-CD2 4.29Å; G28-L32 WeakPolarHBondContact O-CB 3.46Å; G28-L32 VanDerWaalsContact O-CG 3.29Å; G28-L32 WeakPolarHBondContact O-CG 3.42Å; G28-L32 PolarHBondContact O-N 3.27Å; G29-L32 PolarHBondContact O-N 3.27Å; L32-S35 WeakPolarHBondContact CA-OG 3.46Å; L32-S35 PolarHBondContact O-OG 3.45Å; L32-G36 PolarHBondContact O-N 3.42Å; L32-M64 HydrophobicContact CB-CE 3.63Å; L32-M64 HydrophobicContact CB-SD 3.98Å; L32-M64 HydrophobicContact CD1-CE 3.97Å; L32-M64 HydrophobicContact CD1-SD 4.12Å; L32-M64 HydrophobicContact CG-CE 4.46Å
33I94.1Very high89.9Confident73 Ų7340.4 Ų40.437%0.37423%0.233SC..Hα-helixtrans-66.6-48.7173.5-67.2163.8000110.7G29 L30 V31 G36 V37 L60 M64G29-I33 WeakPolarHBondContact O-CG1 3.38Å; G29-I33 PolarHBondContact O-N 3.33Å; L30-I33 PolarHBondContact O-N 3.49Å; V31-I33 VanDerWaalsContact C-N 3.27Å; V31-I33 PolarHBondContact O-N 3.22Å; I33-G36 PolarHBondContact O-N 3.48Å; I33-V37 WeakPolarHBondContact O-CG2 3.22Å; I33-V37 PolarHBondContact O-N 2.93Å; 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 4.5Å; I33-M64 HydrophobicContact CG1-CE 4.41Å; I33-M64 HydrophobicContact CG1-CG 4.44Å
34V93.8Very high90.5Very high95 Ų9544 Ų4458%0.57625%0.251SS*.Hα-helixtrans-60.9-48.3179.6176.10000111.1L30 V31 G36 V37 V38L30-V34 WeakPolarHBondContact O-CG2 3.48Å; L30-V34 PolarHBondContact O-N 2.78Å; L30-V34 VanDerWaalsContact O-N 3.09Å; V31-V34 PolarHBondContact O-N 3.11Å; V34-G36 VanDerWaalsContact C-N 3.34Å; V34-G36 PolarHBondContact O-N 2.94Å; V34-V37 PolarHBondContact O-N 3.31Å; V34-V38 WeakPolarHBondContact O-CG2 3.47Å; V34-V38 PolarHBondContact O-N 3.1Å
35S93.3Very high90.6Very high5 Ų547.2 Ų47.24%0.03527%0.267CS..Hα-helixtrans-64.2-36.9177.554.40000112.7V31 L32 V38 G39V31-S35 WeakPolarHBondContact O-CB 3.39Å; V31-S35 PolarHBondContact O-N 2.88Å; V31-S35 PolarHBondContact O-OG 2.9Å; L32-S35 WeakPolarHBondContact CA-OG 3.46Å; L32-S35 PolarHBondContact O-OG 3.45Å; S35-V38 PolarHBondContact O-N 3.19Å; S35-G39 PolarHBondContact O-N 3.34Å
36G93.1Very high90.5Very high11 Ų1148.8 Ų48.811%0.11327%0.267CS..Hα-helixtrans-63.6-41173.400000112.9L32 I33 V34 G39 C40L32-G36 PolarHBondContact O-N 3.42Å; I33-G36 PolarHBondContact O-N 3.48Å; V34-G36 VanDerWaalsContact C-N 3.34Å; V34-G36 PolarHBondContact O-N 2.94Å; G36-G39 PolarHBondContact O-N 3.11Å; G36-C40 PolarHBondContact O-N 3.46Å; G36-C40 PolarHBondContact O-SG 3.36Å
37V94.1Very high90.4Very high62 Ų6246.9 Ų46.938%0.37627%0.265SS..Hα-helixtrans-64.2-45.6174.6173.40000110.8I33 V34 G39 C40 V41 L60I33-V37 WeakPolarHBondContact O-CG2 3.22Å; I33-V37 PolarHBondContact O-N 2.93Å; V34-V37 PolarHBondContact O-N 3.31Å; V37-G39 VanDerWaalsContact C-N 3.3Å; V37-G39 PolarHBondContact O-N 2.93Å; V37-C40 WeakPolarHBondContact O-CB 3.31Å; V37-C40 PolarHBondContact O-N 3.36Å; V37-V41 WeakPolarHBondContact O-CG2 3.49Å; V37-V41 PolarHBondContact O-N 2.99Å; V37-L60 HydrophobicContact CG2-CD1 3.69Å
38V94Very high90.4Very high28 Ų2843.3 Ų43.317%0.1725%0.254CS..Hα-helixtrans-59.8-42.6175.8175.20000110.8L8 L12 V34 S35 C40 V41 I42L8-V38 HydrophobicContact CB-CG1 4.39Å; L8-V38 HydrophobicContact CD2-CG1 4.1Å; L8-V38 VanDerWaalsContact O-CG1 3.26Å; L8-V38 WeakPolarHBondContact O-CG1 3.2Å; L12-V38 HydrophobicContact CB-CG1 4.14Å; V34-V38 WeakPolarHBondContact O-CG2 3.47Å; V34-V38 PolarHBondContact O-N 3.1Å; S35-V38 PolarHBondContact O-N 3.19Å; V38-C40 PolarHBondContact O-N 3.37Å; V38-V41 WeakPolarHBondContact O-CB 3.45Å; V38-V41 PolarHBondContact O-N 3.33Å; V38-I42 HydrophobicContact CG1-CD1 4.24Å; V38-I42 WeakPolarHBondContact O-CG1 3.31Å; V38-I42 PolarHBondContact O-N 2.93Å
39G92.1Very high90.4Very high14 Ų1443.3 Ų43.314%0.14425%0.254CS..Hα-helixtrans-59.8-43.617400000113.1S35 G36 V37 V41 I42 I43S35-G39 PolarHBondContact O-N 3.34Å; G36-G39 PolarHBondContact O-N 3.11Å; V37-G39 VanDerWaalsContact C-N 3.3Å; V37-G39 PolarHBondContact O-N 2.93Å; G39-V41 VanDerWaalsContact C-N 3.33Å; G39-V41 PolarHBondContact O-N 3.39Å; G39-I42 PolarHBondContact O-N 2.89Å; G39-I43 WeakPolarHBondContact O-CG1 3.15Å; G39-I43 PolarHBondContact O-N 3.19Å; G39-I43 VanDerWaalsContact O-N 3.11Å
40C92.4Very high90.5Very high8 Ų847.4 Ų47.45%0.05427%0.267CS..Hα-helixtrans-60.9-43.1174.7-64.80000111.2G36 V37 V38 I42 I43 L44G36-C40 PolarHBondContact O-N 3.46Å; G36-C40 PolarHBondContact O-SG 3.36Å; V37-C40 WeakPolarHBondContact O-CB 3.31Å; V37-C40 PolarHBondContact O-N 3.36Å; V38-C40 PolarHBondContact O-N 3.37Å; C40-I42 VanDerWaalsContact C-N 3.33Å; C40-I42 PolarHBondContact O-N 2.91Å; C40-I43 PolarHBondContact O-N 3.28Å; C40-L44 VanDerWaalsContact O-CG 3.25Å; C40-L44 WeakPolarHBondContact O-CG 3.48Å; C40-L44 PolarHBondContact O-N 3.28Å
41V92.1Very high90.5Very high55 Ų5547.8 Ų47.833%0.33327%0.267SS..Hα-helixtrans-61-42176.8173.90000111L8 V37 V38 G39 I43 L44 N45L8-V41 HydrophobicContact CD1-CG1 3.92Å; L8-V41 HydrophobicContact CD2-CG1 4.2Å; V37-V41 WeakPolarHBondContact O-CG2 3.49Å; V37-V41 PolarHBondContact O-N 2.99Å; V38-V41 WeakPolarHBondContact O-CB 3.45Å; V38-V41 PolarHBondContact O-N 3.33Å; G39-V41 VanDerWaalsContact C-N 3.33Å; G39-V41 PolarHBondContact O-N 3.39Å; V41-I43 PolarHBondContact O-N 3.3Å; V41-L44 PolarHBondContact O-N 3.08Å; V41-N45 PolarHBondContact O-N 2.92Å; V41-N45 VanDerWaalsContact O-N 3.09Å; V41-N45 PolarHBondContact O-ND2 3.1Å
42I90.6Very high90.5Very high28 Ų2847 Ų4714%0.14426%0.263CS..Hα-helixtrans-58.4-48.7176.5-66.9165.6000110.5L8 L12 V38 G39 C40 L44 N45 F46L8-I42 HydrophobicContact CB-CD1 4.15Å; L8-I42 HydrophobicContact CB-CG1 3.77Å; L12-I42 HydrophobicContact CB-CD1 4.33Å; L12-I42 HydrophobicContact CD1-CD1 3.85Å; V38-I42 HydrophobicContact CG1-CD1 4.24Å; V38-I42 WeakPolarHBondContact O-CG1 3.31Å; V38-I42 PolarHBondContact O-N 2.93Å; G39-I42 PolarHBondContact O-N 2.89Å; C40-I42 VanDerWaalsContact C-N 3.33Å; C40-I42 PolarHBondContact O-N 2.91Å; I42-L44 VanDerWaalsContact C-N 3.34Å; I42-L44 PolarHBondContact O-N 2.96Å; I42-N45 PolarHBondContact O-N 2.95Å; I42-F46 HydrophobicContact CG2-CD2 4.19Å; I42-F46 HydrophobicContact CG2-CE2 3.73Å; I42-F46 WeakPolarHBondContact O-CD2 3.09Å; I42-F46 PolarHBondContact O-N 3.01Å
43I89.9Confident90.5Very high54 Ų5450.4 Ų50.428%0.27728%0.281SS..Hα-helixtrans-63.4-40.7-179.6-60.2164.8000111.3G39 C40 V41 N45 F46 G48 M51 V55G39-I43 WeakPolarHBondContact O-CG1 3.15Å; G39-I43 PolarHBondContact O-N 3.19Å; G39-I43 VanDerWaalsContact O-N 3.11Å; C40-I43 PolarHBondContact O-N 3.28Å; V41-I43 PolarHBondContact O-N 3.3Å; I43-N45 VanDerWaalsContact C-N 3.29Å; I43-N45 PolarHBondContact O-N 3.33Å; I43-F46 PolarHBondContact O-N 2.92Å; I43-F46 VanDerWaalsContact O-N 3.12Å; I43-G48 WeakPolarHBondContact CG2-O 3.38Å; I43-G48 PolarHBondContact O-N 3.2Å; I43-G48 VanDerWaalsContact O-N 3.08Å; I43-M51 HydrophobicContact CG2-CB 4.08Å; I43-V55 HydrophobicContact CD1-CG2 4.4Å
44L88.5Confident90.5Very high83 Ų8350 Ų5044%0.43528%0.278SS..Hα-helixtrans-63.4-33.4178.4-71.1174.3000112.8C40 V41 I42 F46 G47C40-L44 VanDerWaalsContact O-CG 3.25Å; C40-L44 WeakPolarHBondContact O-CG 3.48Å; C40-L44 PolarHBondContact O-N 3.28Å; V41-L44 PolarHBondContact O-N 3.08Å; I42-L44 VanDerWaalsContact C-N 3.34Å; I42-L44 PolarHBondContact O-N 2.96Å; L44-F46 VanDerWaalsContact C-N 3.26Å; L44-F46 PolarHBondContact O-N 3.48Å; L44-G47 PolarHBondContact O-N 2.99Å; L44-G47 VanDerWaalsContact O-N 3.14Å
45N87.1Confident90.5Very high83 Ų8348.2 Ų48.244%0.44427%0.267SS..Hα-helixtrans-68.9-24.4176.1-78.8-78.2000113.1L5 V41 I42 I43 G47L5-N45 HydrophobicContact CD2-CB 3.52Å; V41-N45 PolarHBondContact O-N 2.92Å; V41-N45 VanDerWaalsContact O-N 3.09Å; V41-N45 PolarHBondContact O-ND2 3.1Å; I42-N45 PolarHBondContact O-N 2.95Å; I43-N45 VanDerWaalsContact C-N 3.29Å; I43-N45 PolarHBondContact O-N 3.33Å; N45-G47 PolarHBondContact O-N 3.47Å
46F84.3Confident90.4Very high108 Ų10852.7 Ų52.747%0.47429%0.286SS..THydrogen-bonded Turntrans-84.98172.9-68-66.9000113.2L5 I42 I43 L44 G48 M125 I126L5-F46 HydrophobicContact CD1-CE1 3.97Å; L5-F46 HydrophobicContact CD1-CE2 4.48Å; L5-F46 HydrophobicContact CD1-CZ 3.83Å; I42-F46 HydrophobicContact CG2-CD2 4.19Å; I42-F46 HydrophobicContact CG2-CE2 3.73Å; I42-F46 WeakPolarHBondContact O-CD2 3.09Å; I42-F46 PolarHBondContact O-N 3.01Å; I43-F46 PolarHBondContact O-N 2.92Å; I43-F46 VanDerWaalsContact O-N 3.12Å; L44-F46 VanDerWaalsContact C-N 3.26Å; L44-F46 PolarHBondContact O-N 3.48Å; F46-G48 VanDerWaalsContact C-N 3.28Å; F46-G48 PolarHBondContact O-N 3.16Å; F46-M125 HydrophobicContact CE1-CB 4.41Å; F46-I126 HydrophobicContact CD1-CG1 4.41Å
47G83.7Confident90.4Very high35 Ų3557.5 Ų57.536%0.36131%0.308SS..THydrogen-bonded Turntrans80.56.6-176.800000114.1L44 N45 G49 R136L44-G47 PolarHBondContact O-N 2.99Å; L44-G47 VanDerWaalsContact O-N 3.14Å; N45-G47 PolarHBondContact O-N 3.47Å; G47-G49 VanDerWaalsContact C-N 3.28Å; G47-G49 PolarHBondContact O-N 3.34Å; G47-R136 PolarHBondContact O-NH2 3.38Å
48G86.5Confident90.5Very high7 Ų759.2 Ų59.27%0.07231%0.314CS..  trans-77.661.3179.600000113.9I43 F46 G52 D138I43-G48 WeakPolarHBondContact CG2-O 3.38Å; I43-G48 PolarHBondContact O-N 3.2Å; I43-G48 VanDerWaalsContact O-N 3.08Å; F46-G48 VanDerWaalsContact C-N 3.28Å; F46-G48 PolarHBondContact O-N 3.16Å; G48-G52 PolarHBondContact O-N 2.87Å; G48-D138 WeakPolarHBondContact CA-OD2 3.41Å
49G87.6Confident90.4Very high8 Ų861 Ų618%0.08232%0.318CS..Hα-helixtrans-59.8-53.9-174.800000113.6G47 L53 D138G47-G49 VanDerWaalsContact C-N 3.28Å; G47-G49 PolarHBondContact O-N 3.34Å; G49-L53 VanDerWaalsContact O-CG 3.3Å; G49-L53 WeakPolarHBondContact O-CG 3.4Å; G49-L53 PolarHBondContact O-N 3Å; G49-D138 PolarHBondContact N-OD2 2.99Å
50Y90.3Very high90.4Very high95 Ų9561.2 Ų61.237%0.37332%0.316SS..Hα-helixtrans-69.2-43.8-178.4174.5-97.8000110.8G52 L53 M54 D138 A142Y50-G52 PolarHBondContact O-N 3.34Å; Y50-L53 PolarHBondContact O-N 2.96Å; Y50-M54 HydrophobicContact CD1-CG 4.06Å; Y50-M54 HydrophobicContact CD2-CG 4.31Å; Y50-M54 HydrophobicContact CE1-CG 3.69Å; Y50-M54 HydrophobicContact CE1-SD 4.44Å; Y50-M54 HydrophobicContact CE2-CG 3.96Å; Y50-M54 HydrophobicContact CE2-SD 3.99Å; Y50-M54 HydrophobicContact CG-CG 4.35Å; Y50-M54 VanDerWaalsContact O-CG 3.26Å; Y50-M54 WeakPolarHBondContact O-CG 3.39Å; Y50-M54 PolarHBondContact O-N 2.91Å; Y50-D138 HydrophobicContact CD1-CB 4.47Å; Y50-D138 PolarHBondContact N-OD2 3.43Å; Y50-A142 HydrophobicContact CD1-CB 3.97Å; Y50-A142 HydrophobicContact CE1-CB 3.36Å
51M90Very high90.3Very high108 Ų10863 Ų6353%0.53234%0.337SS..Hα-helixtrans-61.9-44.6-178.9-65.9-63.4-77.800112.1I43 M54 V55 D138I43-M51 HydrophobicContact CG2-CB 4.08Å; M51-M54 PolarHBondContact O-N 2.93Å; M51-V55 PolarHBondContact O-N 3.44Å; M51-D138 HydrophobicContact CG-CB 4.29Å
52G91.4Very high90.3Very high1 Ų161.9 Ų61.91%0.0134%0.336CS..Hα-helixtrans-63.8-41.9176.900000112.7G48 Y50 V55 F56G48-G52 PolarHBondContact O-N 2.87Å; Y50-G52 PolarHBondContact O-N 3.34Å; G52-V55 PolarHBondContact O-N 2.92Å; G52-F56 PolarHBondContact O-N 3.2Å
53L92.3Very high90.4Very high98 Ų9865.7 Ų65.751%0.51335%0.354SS..Hα-helixtrans-69-34.4178.3-70.9174.2000112.9G49 Y50 V55 F56 L57G49-L53 VanDerWaalsContact O-CG 3.3Å; G49-L53 WeakPolarHBondContact O-CG 3.4Å; G49-L53 PolarHBondContact O-N 3Å; Y50-L53 PolarHBondContact O-N 2.96Å; L53-V55 VanDerWaalsContact C-N 3.34Å; L53-V55 PolarHBondContact O-N 3.26Å; L53-F56 WeakPolarHBondContact O-CB 3.28Å; L53-F56 PolarHBondContact O-N 2.95Å; L53-L57 WeakPolarHBondContact O-CG 3.33Å; L53-L57 PolarHBondContact O-N 2.93Å
54M93.7Very high90.4Very high65 Ų6563.9 Ų63.932%0.3235%0.345SS..Hα-helixtrans-63.4-40.2175.1-72.6-64.4-76.900111.7Y50 M51 L57 I58Y50-M54 HydrophobicContact CD1-CG 4.06Å; Y50-M54 HydrophobicContact CD2-CG 4.31Å; Y50-M54 HydrophobicContact CE1-CG 3.69Å; Y50-M54 HydrophobicContact CE1-SD 4.44Å; Y50-M54 HydrophobicContact CE2-CG 3.96Å; Y50-M54 HydrophobicContact CE2-SD 3.99Å; Y50-M54 HydrophobicContact CG-CG 4.35Å; Y50-M54 VanDerWaalsContact O-CG 3.26Å; Y50-M54 WeakPolarHBondContact O-CG 3.39Å; Y50-M54 PolarHBondContact O-N 2.91Å; M51-M54 PolarHBondContact O-N 2.93Å; M54-L57 PolarHBondContact O-N 3.45Å; M54-I58 HydrophobicContact CE-CD1 3.72Å; M54-I58 WeakPolarHBondContact O-CB 3.44Å; M54-I58 WeakPolarHBondContact O-CG1 3.47Å; M54-I58 PolarHBondContact O-N 3.47Å
55V92.9Very high90.6Very high56 Ų5664.3 Ų64.334%0.33935%0.351SS..Hα-helixtrans-63.7-47.6171.7176.80000110.3I43 M51 G52 L53 L57 Y59I43-V55 HydrophobicContact CD1-CG2 4.4Å; M51-V55 PolarHBondContact O-N 3.44Å; G52-V55 PolarHBondContact O-N 2.92Å; L53-V55 VanDerWaalsContact C-N 3.34Å; L53-V55 PolarHBondContact O-N 3.26Å; V55-L57 VanDerWaalsContact C-N 3.28Å; V55-L57 PolarHBondContact O-N 3.48Å; V55-Y59 WeakPolarHBondContact O-CA 3.29Å; V55-Y59 WeakPolarHBondContact O-CB 3.47Å; V55-Y59 PolarHBondContact O-N 3.12Å
56F91.7Very high90.8Very high100 Ų10064.9 Ų64.944%0.43936%0.357SS..Iπ-helixtrans-55.3-43.4178.2-171.6-91.7000112.2G52 L53 L60 G61G52-F56 PolarHBondContact O-N 3.2Å; L53-F56 WeakPolarHBondContact O-CB 3.28Å; L53-F56 PolarHBondContact O-N 2.95Å; F56-L60 HydrophobicContact CD2-CD1 3.57Å; F56-L60 HydrophobicContact CE2-CD1 3.85Å; F56-L60 HydrophobicContact CG-CD1 4.35Å; F56-L60 VanDerWaalsContact O-CB 3.29Å; F56-L60 WeakPolarHBondContact O-CB 3.36Å; F56-L60 PolarHBondContact O-N 2.95Å; F56-G61 PolarHBondContact O-N 3.4Å; F56-G61 VanDerWaalsContact O-N 3.13Å
57L93.6Very high91.1Very high112 Ų11263.4 Ų63.459%0.58635%0.35SS*.Iπ-helixtrans-75.3-53-179.2-68.1172.8000112.9L53 M54 V55 G61 G62L53-L57 WeakPolarHBondContact O-CG 3.33Å; L53-L57 PolarHBondContact O-N 2.93Å; M54-L57 PolarHBondContact O-N 3.45Å; V55-L57 VanDerWaalsContact C-N 3.28Å; V55-L57 PolarHBondContact O-N 3.48Å; L57-G61 CarbonylContact O-C 3.36Å; L57-G61 WeakPolarHBondContact O-CA 3.34Å; L57-G61 PolarHBondContact O-N 3.14Å; L57-G61 VanDerWaalsContact O-N 3.13Å; L57-G62 PolarHBondContact O-N 3.45Å
58I95.1Very high91.4Very high97 Ų9763.4 Ų63.450%0.49735%0.351SS..Iπ-helixtrans-76.5-43.3-171.4-60.7172.3000111M54 G62 M63M54-I58 HydrophobicContact CE-CD1 3.72Å; M54-I58 WeakPolarHBondContact O-CB 3.44Å; M54-I58 WeakPolarHBondContact O-CG1 3.47Å; M54-I58 PolarHBondContact O-N 3.47Å; I58-G62 CarbonylContact O-C 3.48Å; I58-G62 VanDerWaalsContact O-CA 3.24Å; I58-G62 WeakPolarHBondContact O-CA 3.24Å; I58-G62 PolarHBondContact O-N 3.38Å; I58-M63 PolarHBondContact O-N 3.32Å
59Y93.3Very high91.5Very high65 Ų6570.8 Ų70.826%0.25538%0.377SS..Iπ-helixtrans-78.5-62-178-176.7-96.7000111.1V55 M63 M64V55-Y59 WeakPolarHBondContact O-CA 3.29Å; V55-Y59 WeakPolarHBondContact O-CB 3.47Å; V55-Y59 PolarHBondContact O-N 3.12Å; Y59-M63 HydrophobicContact CD2-CE 3.55Å; Y59-M63 HydrophobicContact CE2-CE 4.42Å; Y59-M63 HydrophobicContact CG-CE 4.3Å; Y59-M63 PolarHBondContact O-N 2.97Å; Y59-M64 HydrophobicContact CD1-CG 4.31Å; Y59-M64 HydrophobicContact CE1-CG 4.07Å; Y59-M64 HydrophobicContact CE1-SD 4.23Å; Y59-M64 WeakPolarHBondContact O-CG 3.32Å; Y59-M64 PolarHBondContact O-N 3.43Å
60L90.8Very high91.5Very high19 Ų1973.7 Ų73.710%0.09939%0.394CS..Iπ-helixtrans-73.8-42.9-176-58.9174.5000112.4I33 V37 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 3.69Å; F56-L60 HydrophobicContact CD2-CD1 3.57Å; F56-L60 HydrophobicContact CE2-CD1 3.85Å; F56-L60 HydrophobicContact CG-CD1 4.35Å; F56-L60 VanDerWaalsContact O-CB 3.29Å; F56-L60 WeakPolarHBondContact O-CB 3.36Å; F56-L60 PolarHBondContact O-N 2.95Å; L60-M64 HydrophobicContact CD2-CG 4.41Å
61G91Very high91.3Very high47 Ų4770 Ų7049%0.48538%0.381SS..Iπ-helixtrans-80.7-29.3-179.600000114.5F56 L57 V65F56-G61 PolarHBondContact O-N 3.4Å; F56-G61 VanDerWaalsContact O-N 3.13Å; L57-G61 CarbonylContact O-C 3.36Å; L57-G61 WeakPolarHBondContact O-CA 3.34Å; L57-G61 PolarHBondContact O-N 3.14Å; L57-G61 VanDerWaalsContact O-N 3.13Å; G61-V65 WeakPolarHBondContact O-CG2 3.19Å
62G92.1Very high91.1Very high30 Ų3067.7 Ų67.731%0.30938%0.379SS..Iπ-helixtrans-98.1-78.5-176.700000112.5L57 I58 M64 V65 V66L57-G62 PolarHBondContact O-N 3.45Å; I58-G62 CarbonylContact O-C 3.48Å; I58-G62 VanDerWaalsContact O-CA 3.24Å; I58-G62 WeakPolarHBondContact O-CA 3.24Å; I58-G62 PolarHBondContact O-N 3.38Å; G62-M64 PolarHBondContact O-N 2.9Å; G62-V65 PolarHBondContact O-N 3.01Å; G62-V66 PolarHBondContact O-N 3.25Å
63M93Very high90.8Very high108 Ų10874.1 Ų74.153%0.53241%0.41SS..Iπ-helixtrans-64.8-41.3-169.8-67.5-172.3-70.400113I58 Y59 V65 V66 F67I58-M63 PolarHBondContact O-N 3.32Å; Y59-M63 HydrophobicContact CD2-CE 3.55Å; Y59-M63 HydrophobicContact CE2-CE 4.42Å; Y59-M63 HydrophobicContact CG-CE 4.3Å; Y59-M63 PolarHBondContact O-N 2.97Å; M63-V65 VanDerWaalsContact C-N 3.28Å; M63-V65 PolarHBondContact O-N 3.4Å; M63-V66 PolarHBondContact O-N 3Å; M63-F67 WeakPolarHBondContact O-CB 3.16Å; M63-F67 PolarHBondContact O-N 3.45Å
64M90.1Very high90.3Very high17 Ų1773.1 Ų73.18%0.08442%0.416CS..Hα-helixtrans-66.3-30.3-179.8-68.8-52-57.600113G29 L32 I33 Y59 L60 G62 F67 G68G29-M64 WeakPolarHBondContact O-CE 3.34Å; L32-M64 HydrophobicContact CB-CE 3.63Å; L32-M64 HydrophobicContact CB-SD 3.98Å; L32-M64 HydrophobicContact CD1-CE 3.97Å; L32-M64 HydrophobicContact CD1-SD 4.12Å; L32-M64 HydrophobicContact CG-CE 4.46Å; I33-M64 HydrophobicContact CG1-CB 4.5Å; I33-M64 HydrophobicContact CG1-CE 4.41Å; I33-M64 HydrophobicContact CG1-CG 4.44Å; Y59-M64 HydrophobicContact CD1-CG 4.31Å; Y59-M64 HydrophobicContact CE1-CG 4.07Å; Y59-M64 HydrophobicContact CE1-SD 4.23Å; Y59-M64 WeakPolarHBondContact O-CG 3.32Å; Y59-M64 PolarHBondContact O-N 3.43Å; L60-M64 HydrophobicContact CD2-CG 4.41Å; G62-M64 PolarHBondContact O-N 2.9Å; M64-F67 HydrophobicContact CE-CD1 3.98Å; M64-G68 PolarHBondContact O-N 3.46Å
65V92.7Very high89.8Confident92 Ų9274.9 Ų74.956%0.55843%0.426SS*.Hα-helixtrans-71.2-46.1177.1178.60000110.6G61 G62 M63 F67 G68 Y69G61-V65 WeakPolarHBondContact O-CG2 3.19Å; G62-V65 PolarHBondContact O-N 3.01Å; M63-V65 VanDerWaalsContact C-N 3.28Å; M63-V65 PolarHBondContact O-N 3.4Å; V65-F67 VanDerWaalsContact C-N 3.3Å; V65-F67 PolarHBondContact O-N 3.34Å; V65-G68 PolarHBondContact O-N 3.29Å; V65-Y69 PolarHBondContact O-N 3.1Å
66V91.8Very high89.2Confident94 Ų9479.3 Ų79.357%0.5744%0.443SS*.Hα-helixtrans-62.6-41.1175.3-179.70000110.5G62 M63 Y69 T70G62-V66 PolarHBondContact O-N 3.25Å; M63-V66 PolarHBondContact O-N 3Å; V66-Y69 PolarHBondContact O-N 3.45Å; V66-T70 WeakPolarHBondContact O-CG2 3.37Å; V66-T70 PolarHBondContact O-N 3.13Å; V66-T70 PolarHBondContact O-OG1 3.28Å
67F89.6Confident88.3Confident77 Ų7783.1 Ų83.134%0.33846%0.462SS..Hα-helixtrans-57-54.5173.9178.9-104.8000111.2P25 M63 M64 V65 Y69 T70 T71P25-F67 HydrophobicContact CB-CZ 4.04Å; P25-F67 WeakPolarHBondContact O-CE1 3.34Å; M63-F67 WeakPolarHBondContact O-CB 3.16Å; M63-F67 PolarHBondContact O-N 3.45Å; M64-F67 HydrophobicContact CE-CD1 3.98Å; V65-F67 VanDerWaalsContact C-N 3.3Å; V65-F67 PolarHBondContact O-N 3.34Å; F67-Y69 PolarHBondContact O-N 3.19Å; F67-T70 PolarHBondContact O-N 3.13Å; F67-T70 VanDerWaalsContact O-N 3.09Å; F67-T70 PolarHBondContact O-OG1 3.24Å; F67-T71 HydrophobicContact CD1-CG2 4.14Å; F67-T71 HydrophobicContact CD2-CG2 4.29Å; F67-T71 HydrophobicContact CE1-CG2 3.8Å; F67-T71 HydrophobicContact CE2-CG2 3.96Å; F67-T71 HydrophobicContact CG-CG2 4.38Å; F67-T71 HydrophobicContact CZ-CG2 3.71Å; F67-T71 WeakPolarHBondContact O-CG2 3.05Å; F67-T71 PolarHBondContact O-N 2.93Å; F67-T71 PolarHBondContact O-OG1 3.02Å
68G89.2Confident87.4Confident36 Ų3687.4 Ų87.437%0.37147%0.472SS..Hα-helixtrans-58.1-33.1177.400000114.1M64 V65 T71 A72M64-G68 PolarHBondContact O-N 3.46Å; V65-G68 PolarHBondContact O-N 3.29Å; G68-T71 WeakPolarHBondContact CA-OG1 3.33Å; G68-T71 PolarHBondContact O-OG1 2.97Å; G68-A72 PolarHBondContact O-N 3.45Å
69Y89.5Confident86.5Confident161 Ų16185.7 Ų85.763%0.63147%0.467SS*.Hα-helixtrans-68.9-42.8175.2-174.6-102.7000112.1V65 V66 F67 A72 M73V65-Y69 PolarHBondContact O-N 3.1Å; V66-Y69 PolarHBondContact O-N 3.45Å; F67-Y69 PolarHBondContact O-N 3.19Å; Y69-A72 WeakPolarHBondContact O-CB 3.42Å; Y69-A72 PolarHBondContact O-N 2.99Å; Y69-M73 HydrophobicContact CD1-CE 4.08Å; Y69-M73 HydrophobicContact CE1-CE 3.36Å
70T87Confident85.7Confident69 Ų6987.2 Ų87.242%0.42348%0.476SS..Hα-helixtrans-71.7-33.5177.657.70000112.9V66 F67 A72 M73V66-T70 WeakPolarHBondContact O-CG2 3.37Å; V66-T70 PolarHBondContact O-N 3.13Å; V66-T70 PolarHBondContact O-OG1 3.28Å; F67-T70 PolarHBondContact O-N 3.13Å; F67-T70 VanDerWaalsContact O-N 3.09Å; F67-T70 PolarHBondContact O-OG1 3.24Å; T70-A72 PolarHBondContact O-N 3.07Å; T70-M73 WeakPolarHBondContact O-CB 3.48Å; T70-M73 PolarHBondContact O-N 3.49Å
71T86.6Confident85.1Confident19 Ų1988.2 Ų88.212%0.11749%0.488CS..Hα-helixtrans-65.6-31.6175.9580000111.5P25 F67 G68 M73 A74 I75P25-T71 HydrophobicContact CB-CG2 3.38Å; P25-T71 HydrophobicContact CG-CG2 4.45Å; F67-T71 HydrophobicContact CD1-CG2 4.14Å; F67-T71 HydrophobicContact CD2-CG2 4.29Å; F67-T71 HydrophobicContact CE1-CG2 3.8Å; F67-T71 HydrophobicContact CE2-CG2 3.96Å; F67-T71 HydrophobicContact CG-CG2 4.38Å; F67-T71 HydrophobicContact CZ-CG2 3.71Å; F67-T71 WeakPolarHBondContact O-CG2 3.05Å; F67-T71 PolarHBondContact O-N 2.93Å; F67-T71 PolarHBondContact O-OG1 3.02Å; G68-T71 WeakPolarHBondContact CA-OG1 3.33Å; G68-T71 PolarHBondContact O-OG1 2.97Å; T71-M73 PolarHBondContact O-N 2.91Å; T71-A74 CarbonylContact O-C 3.6Å; T71-A74 PolarHBondContact O-N 3.19Å; T71-I75 WeakPolarHBondContact O-CG1 3.3Å; T71-I75 PolarHBondContact O-N 3.42Å
72A85.3Confident84.2Confident58 Ų5891 Ų9148%0.47948%0.483SS..Hα-helixtrans-60.2-27.3172.700000113.3G68 Y69 T70 A74 I75G68-A72 PolarHBondContact O-N 3.45Å; Y69-A72 WeakPolarHBondContact O-CB 3.42Å; Y69-A72 PolarHBondContact O-N 2.99Å; T70-A72 PolarHBondContact O-N 3.07Å; A72-A74 VanDerWaalsContact C-N 3.32Å; A72-I75 HydrophobicContact CB-CD1 4.42Å
73M85.8Confident83.4Confident136 Ų13692 Ų9267%0.6750%0.495SS*.THydrogen-bonded Turntrans-78.9-14.8176.4-59.5-178.5171.500113.3Y69 T70 T71Y69-M73 HydrophobicContact CD1-CE 4.08Å; Y69-M73 HydrophobicContact CE1-CE 3.36Å; T70-M73 WeakPolarHBondContact O-CB 3.48Å; T70-M73 PolarHBondContact O-N 3.49Å; T71-M73 PolarHBondContact O-N 2.91Å
74A82.3Confident82.6Confident77 Ų7790.6 Ų90.664%0.63650%0.495SS*.THydrogen-bonded Turntrans-121.728.6-176.400000112.3T71 A72 E76T71-A74 CarbonylContact O-C 3.6Å; T71-A74 PolarHBondContact O-N 3.19Å; A72-A74 VanDerWaalsContact C-N 3.32Å; A74-E76 PolarHBondContact O-N 3.3Å
75I82.4Confident82.3Confident103 Ų10390.5 Ų90.553%0.52850%0.498SS..  trans-72.3121.5178.3-65.8179000109.7I26 T71 A72I26-I75 HydrophobicContact CD1-CD1 4.26Å; I26-I75 HydrophobicContact CD1-CG1 4.34Å; T71-I75 WeakPolarHBondContact O-CG1 3.3Å; T71-I75 PolarHBondContact O-N 3.42Å; A72-I75 HydrophobicContact CB-CD1 4.42Å
76E79.8Confident81.9Confident148 Ų14891.5 Ų91.569%0.69251%0.505SS*.  trans-82.5151.4167.4-61.5-177.3175.200110.8A74 Y78A74-E76 PolarHBondContact O-N 3.3Å; E76-Y78 PolarHBondContact O-N 2.91Å; E76-Y78 VanDerWaalsContact O-N 3.15Å
77E73.6Confident81.6Confident181 Ų18195.1 Ų95.185%0.84652%0.515SS*.SBendtrans-59.2-28.6-174.8-68-177.4170.900113.6
78Y73.8Confident81.4Confident202 Ų20291.8 Ų91.879%0.79250%0.501SS*.SBendtrans-128.387.9177.5-66.1-72.9000110.3E76 E80E76-Y78 PolarHBondContact O-N 2.91Å; E76-Y78 VanDerWaalsContact O-N 3.15Å; Y78-E80 PolarHBondContact O-N 2.97Å
79P76.8Confident81.2Confident61 Ų6194.1 Ų94.140%0.39651%0.505SS..PPolyproline II helixtrans-64.5136.6178.326.1-33.3000110.3A81P79-A81 PolarHBondContact O-N 2.83Å
80E76.3Confident81.2Confident96 Ų9690.2 Ų90.245%0.44950%0.497SS..PPolyproline II helixtrans-57.7123.8173.4-65.9-167.4168.400110.3S24 Y27 Y78S24-E80 PolarHBondContact OG-O 3.14Å; Y27-E80 WeakPolarHBondContact CD2-O 3.33Å; Y27-E80 WeakPolarHBondContact CE2-O 3.45Å; Y78-E80 PolarHBondContact O-N 2.97Å
81A77.8Confident81.3Confident41 Ų4189 Ų8934%0.33949%0.492SS..PPolyproline II helixtrans-87159.9172.200000109.8P79 G83 S84P79-A81 PolarHBondContact O-N 2.83Å; A81-G83 PolarHBondContact O-N 3.04Å; A81-S84 PolarHBondContact N-OG 3.21Å; A81-S84 PolarHBondContact O-N 2.88Å; A81-S84 PolarHBondContact O-OG 3.27Å
82W73.2Confident81.4Confident104 Ų10489.7 Ų89.739%0.39450%0.496SS..THydrogen-bonded Turntrans-53-26.1-178.6-75.274.8000115.4Y27 V31Y27-W82 AromaticContact CD1-CD1 3.93Å; Y27-W82 AromaticContact CD1-NE1 3.49Å; Y27-W82 AromaticContact CG-CD1 3.88Å; Y27-W82 AromaticContact CG-NE1 3.48Å; V31-W82 HydrophobicContact CG2-CH2 3.38Å; V31-W82 HydrophobicContact CG2-CZ2 3.22Å
83G74.3Confident81.5Confident53 Ų5392.5 Ų92.555%0.54650%0.502SS..THydrogen-bonded Turntrans-113.34.1179.100000115.1A81A81-G83 PolarHBondContact O-N 3.04Å
84S77.9Confident81.8Confident78 Ų7890.1 Ų90.155%0.54550%0.495SS..THydrogen-bonded Turntrans-80.4-35.9-177.659.80000112.5A81A81-S84 PolarHBondContact N-OG 3.21Å; A81-S84 PolarHBondContact O-N 2.88Å; A81-S84 PolarHBondContact O-OG 3.27Å
85G82.4Confident82.1Confident14 Ų1487.1 Ų87.114%0.14447%0.472CS..  trans-89.3122.9178.800000112E87 V88 L89G85-E87 PolarHBondContact O-N 2.93Å; G85-V88 PolarHBondContact O-N 3.28Å; G85-L89 PolarHBondContact O-N 3.19Å; G85-L89 VanDerWaalsContact O-N 3.11Å
86V84.6Confident82.4Confident114 Ų11485 Ų8569%0.69146%0.461SS*.Hα-helixtrans-58.6-37.5170.4178.80000110.2L89 V90V86-L89 PolarHBondContact O-N 3.14Å; V86-V90 HydrophobicContact CG1-CG2 4.3Å; V86-V90 WeakPolarHBondContact O-CB 3.36Å; V86-V90 VanDerWaalsContact O-CG2 3.24Å; V86-V90 WeakPolarHBondContact O-CG2 2.95Å; V86-V90 PolarHBondContact O-N 3Å
87E85.1Confident82.9Confident170 Ų17080.9 Ų80.979%0.79445%0.453SS*.Hα-helixtrans-66.1-37.9177.1-59.9-171.917900112.9G85 V90 S91G85-E87 PolarHBondContact O-N 2.93Å; E87-V90 PolarHBondContact O-N 3.48Å; E87-S91 WeakPolarHBondContact O-CB 3.26Å; E87-S91 PolarHBondContact O-N 3.02Å; E87-S91 PolarHBondContact O-OG 3.25Å
88V85.4Confident83.5Confident6 Ų677.7 Ų77.74%0.03644%0.439CS..Hα-helixtrans-63.2-46.9175.6-1780000109.7G85 S91 V92G85-V88 PolarHBondContact O-N 3.28Å; V88-S91 PolarHBondContact O-N 3.29Å; V88-S91 PolarHBondContact O-OG 3.14Å; V88-V92 VanDerWaalsContact O-CG2 3.28Å; V88-V92 WeakPolarHBondContact O-CG2 3.37Å; V88-V92 PolarHBondContact O-N 2.87Å
89L85.8Confident84Confident85 Ų8569.2 Ų69.245%0.44541%0.407SS..Hα-helixtrans-64.7-42.8177.9-71.3173000112.5G85 V86 V92 L93G85-L89 PolarHBondContact O-N 3.19Å; G85-L89 VanDerWaalsContact O-N 3.11Å; V86-L89 PolarHBondContact O-N 3.14Å; L89-V92 PolarHBondContact O-N 2.87Å; L89-L93 WeakPolarHBondContact O-CG 3.43Å; L89-L93 PolarHBondContact O-N 3.29Å
90V89.8Confident84.4Confident79 Ų7970.4 Ų70.448%0.47941%0.412SS..Hα-helixtrans-63.2-45.6177.7170.20000110.8V86 E87 V92 L93 V94V86-V90 HydrophobicContact CG1-CG2 4.3Å; V86-V90 WeakPolarHBondContact O-CB 3.36Å; V86-V90 VanDerWaalsContact O-CG2 3.24Å; V86-V90 WeakPolarHBondContact O-CG2 2.95Å; V86-V90 PolarHBondContact O-N 3Å; E87-V90 PolarHBondContact O-N 3.48Å; V90-V92 PolarHBondContact O-N 3.39Å; V90-L93 PolarHBondContact O-N 3.5Å; V90-V94 HydrophobicContact CG1-CG2 4.41Å; V90-V94 VanDerWaalsContact O-CG2 3.31Å; V90-V94 WeakPolarHBondContact O-CG2 3.29Å; V90-V94 PolarHBondContact O-N 3.27Å
91S87.7Confident84.8Confident44 Ų4467.7 Ų67.731%0.30841%0.41SS..Hα-helixtrans-65.5-37.8179.556.70000112.6S21 E87 V88 V94 G95S21-S91 WeakPolarHBondContact CA-OG 3.41Å; S21-S91 WeakPolarHBondContact CB-OG 3.14Å; E87-S91 WeakPolarHBondContact O-CB 3.26Å; E87-S91 PolarHBondContact O-N 3.02Å; E87-S91 PolarHBondContact O-OG 3.25Å; V88-S91 PolarHBondContact O-N 3.29Å; V88-S91 PolarHBondContact O-OG 3.14Å; S91-V94 PolarHBondContact O-N 2.93Å; S91-G95 PolarHBondContact O-N 3.46Å
92V88.8Confident85Confident33 Ų3370.4 Ų70.420%0.242%0.419CS..Hα-helixtrans-63-46.3172.1172.20000111V88 L89 V90 V94 G95 L96V88-V92 VanDerWaalsContact O-CG2 3.28Å; V88-V92 WeakPolarHBondContact O-CG2 3.37Å; V88-V92 PolarHBondContact O-N 2.87Å; L89-V92 PolarHBondContact O-N 2.87Å; V90-V92 PolarHBondContact O-N 3.39Å; V92-V94 VanDerWaalsContact C-N 3.33Å; V92-V94 PolarHBondContact O-N 2.94Å; V92-G95 PolarHBondContact O-N 3.26Å; V92-L96 HydrophobicContact CG1-CD1 4.07Å; V92-L96 HydrophobicContact CG1-CG 4.33Å; V92-L96 WeakPolarHBondContact O-CG 3.46Å; V92-L96 PolarHBondContact O-N 2.82Å
93L89Confident85.4Confident118 Ų11868.2 Ų68.262%0.61842%0.417SS*.Hα-helixtrans-61.3-40.8178-73.9174.4000112.4L89 V90 L96 A97L89-L93 WeakPolarHBondContact O-CG 3.43Å; L89-L93 PolarHBondContact O-N 3.29Å; V90-L93 PolarHBondContact O-N 3.5Å; L93-L96 PolarHBondContact O-N 3.43Å; L93-A97 VanDerWaalsContact O-CB 3.3Å; L93-A97 WeakPolarHBondContact O-CB 3.36Å; L93-A97 PolarHBondContact O-N 3.09Å
94V91.3Very high85.6Confident85 Ų8570.2 Ų70.252%0.51541%0.414SS..Hα-helixtrans-63.9-43.8174.9172.50000110.7V90 S91 V92 A97 M98V90-V94 HydrophobicContact CG1-CG2 4.41Å; V90-V94 VanDerWaalsContact O-CG2 3.31Å; V90-V94 WeakPolarHBondContact O-CG2 3.29Å; V90-V94 PolarHBondContact O-N 3.27Å; S91-V94 PolarHBondContact O-N 2.93Å; V92-V94 VanDerWaalsContact C-N 3.33Å; V92-V94 PolarHBondContact O-N 2.94Å; V94-A97 PolarHBondContact O-N 3.43Å; V94-M98 WeakPolarHBondContact O-CG 3.43Å; V94-M98 PolarHBondContact O-N 3.46Å
95G88.9Confident85.6Confident14 Ų1472.9 Ų72.914%0.14441%0.412CS..Hα-helixtrans-59.3-48.1176.400000112.4S91 V92 A97 M98 E99S91-G95 PolarHBondContact O-N 3.46Å; V92-G95 PolarHBondContact O-N 3.26Å; G95-A97 PolarHBondContact O-N 2.92Å; G95-M98 PolarHBondContact O-N 2.94Å; G95-E99 PolarHBondContact O-N 3.49Å
96L88.1Confident85Confident58 Ų5875.4 Ų75.430%0.30443%0.425SS..Hα-helixtrans-61.9-41.5176-66.9177.4000112.5M14 V92 L93 M98 E99 V100M14-L96 HydrophobicContact CE-CD2 3.55Å; M14-L96 HydrophobicContact SD-CD2 3.25Å; M14-L96 WeakPolarHBondContact SD-CD2 3.38Å; V92-L96 HydrophobicContact CG1-CD1 4.07Å; V92-L96 HydrophobicContact CG1-CG 4.33Å; V92-L96 WeakPolarHBondContact O-CG 3.46Å; V92-L96 PolarHBondContact O-N 2.82Å; L93-L96 PolarHBondContact O-N 3.43Å; L96-M98 VanDerWaalsContact C-N 3.31Å; L96-M98 PolarHBondContact O-N 3.22Å; L96-E99 PolarHBondContact O-N 3.37Å; L96-V100 WeakPolarHBondContact O-CB 3.45Å; L96-V100 WeakPolarHBondContact O-CG2 3.25Å; L96-V100 PolarHBondContact O-N 3.01Å
97A90Very high83.9Confident63 Ų6377.2 Ų77.252%0.52142%0.424SS..Hα-helixtrans-63.1-38.8177.100000111.7L93 V94 G95 G101L93-A97 VanDerWaalsContact O-CB 3.3Å; L93-A97 WeakPolarHBondContact O-CB 3.36Å; L93-A97 PolarHBondContact O-N 3.09Å; V94-A97 PolarHBondContact O-N 3.43Å; G95-A97 PolarHBondContact O-N 2.92Å; A97-G101 WeakPolarHBondContact O-CA 3.39Å; A97-G101 PolarHBondContact O-N 3.37Å
98M86.5Confident82.6Confident114 Ų11477 Ų7756%0.56242%0.422SS*.Hα-helixtrans-67.5-43.6175.7-72.5-58.9-67.900112.1V94 G95 L96 G101 L102V94-M98 WeakPolarHBondContact O-CG 3.43Å; V94-M98 PolarHBondContact O-N 3.46Å; G95-M98 PolarHBondContact O-N 2.94Å; L96-M98 VanDerWaalsContact C-N 3.31Å; L96-M98 PolarHBondContact O-N 3.22Å; M98-G101 PolarHBondContact O-N 3.23Å; M98-L102 WeakPolarHBondContact O-CB 3.49Å; M98-L102 VanDerWaalsContact O-CG 3.25Å; M98-L102 WeakPolarHBondContact O-CG 3.36Å; M98-L102 PolarHBondContact O-N 3.12Å
99E83.6Confident80.9Confident24 Ų2482.8 Ų82.811%0.11245%0.445CS..Hα-helixtrans-60.5-54.3176.4-74.4-175.7-162.400111.6V13 M14 V17 G95 L96 G101 L102 V103V13-E99 HydrophobicContact CB-CG 4.38Å; V13-E99 WeakPolarHBondContact CB-OE1 3.31Å; V13-E99 HydrophobicContact CG1-CG 3.76Å; V13-E99 WeakPolarHBondContact CG1-OE1 3.38Å; M14-E99 WeakPolarHBondContact CA-OE1 3.15Å; M14-E99 WeakPolarHBondContact CG-OE2 3.44Å; M14-E99 PolarHBondContact N-OE1 2.96Å; M14-E99 VanDerWaalsContact N-OE1 3.12Å; V17-E99 WeakPolarHBondContact CG2-OE1 3.39Å; G95-E99 PolarHBondContact O-N 3.49Å; L96-E99 PolarHBondContact O-N 3.37Å; E99-G101 VanDerWaalsContact C-N 3.32Å; E99-G101 PolarHBondContact O-N 3.33Å; E99-L102 PolarHBondContact O-N 2.92Å; E99-V103 WeakPolarHBondContact O-CB 3.5Å; E99-V103 VanDerWaalsContact O-CG2 3.24Å; E99-V103 WeakPolarHBondContact O-CG2 3.01Å; E99-V103 PolarHBondContact O-N 3.42Å
100V85.7Confident78.8Confident85 Ų8584.8 Ų84.852%0.51546%0.456SS..Hα-helixtrans-63.7-41.5-179.9176.30000110.5L96 V103 L104L96-V100 WeakPolarHBondContact O-CB 3.45Å; L96-V100 WeakPolarHBondContact O-CG2 3.25Å; L96-V100 PolarHBondContact O-N 3.01Å; V100-V103 PolarHBondContact O-N 2.96Å; V100-L104 HydrophobicContact CG1-CD1 3.68Å; V100-L104 HydrophobicContact CG1-CG 4.1Å; V100-L104 WeakPolarHBondContact O-CB 3.44Å; V100-L104 VanDerWaalsContact O-CG 3.24Å; V100-L104 WeakPolarHBondContact O-CG 3.4Å; V100-L104 PolarHBondContact O-N 2.9Å
101G84.2Confident76.4Confident39 Ų3984.2 Ų84.240%0.40247%0.466SS..Hα-helixtrans-58.3-48.6177.300000112.3A97 M98 E99 W105A97-G101 WeakPolarHBondContact O-CA 3.39Å; A97-G101 PolarHBondContact O-N 3.37Å; M98-G101 PolarHBondContact O-N 3.23Å; E99-G101 VanDerWaalsContact C-N 3.32Å; E99-G101 PolarHBondContact O-N 3.33Å; G101-W105 WeakPolarHBondContact O-CB 3.29Å; G101-W105 PolarHBondContact O-N 3.15Å
102L82.4Confident73.7Confident99 Ų9987 Ų8752%0.51848%0.481SS..Hα-helixtrans-67.7-40.7178.2-70.8173000112.2M98 E99 W105 V106M98-L102 WeakPolarHBondContact O-CB 3.49Å; M98-L102 VanDerWaalsContact O-CG 3.25Å; M98-L102 WeakPolarHBondContact O-CG 3.36Å; M98-L102 PolarHBondContact O-N 3.12Å; E99-L102 PolarHBondContact O-N 2.92Å; L102-W105 PolarHBondContact O-N 3.11Å; L102-V106 WeakPolarHBondContact O-CB 3.45Å; L102-V106 VanDerWaalsContact O-CG2 3.27Å; L102-V106 WeakPolarHBondContact O-CG2 3.4Å; L102-V106 PolarHBondContact O-N 2.95Å
103V81.1Confident71.2Confident58 Ų5892.4 Ų92.435%0.35251%0.514SS..Hα-helixtrans-65.4-42.4178.4171.40000111.4F6 E99 V100 K107F6-V103 HydrophobicContact CZ-CG1 4.02Å; F6-V103 HydrophobicContact CZ-CG2 4Å; E99-V103 WeakPolarHBondContact O-CB 3.5Å; E99-V103 VanDerWaalsContact O-CG2 3.24Å; E99-V103 WeakPolarHBondContact O-CG2 3.01Å; E99-V103 PolarHBondContact O-N 3.42Å; V100-V103 PolarHBondContact O-N 2.96Å; V103-K107 WeakPolarHBondContact O-CB 3.25Å; V103-K107 PolarHBondContact O-N 3.47Å; V103-K107 VanDerWaalsContact O-N 3.09Å
104L80.4Confident68.7Low95 Ų9591.6 Ų91.650%0.49751%0.514SS..Hα-helixtrans-67.1-41.3175.7-70.1177.2000111.5V100 V106 K107 E108V100-L104 HydrophobicContact CG1-CD1 3.68Å; V100-L104 HydrophobicContact CG1-CG 4.1Å; V100-L104 WeakPolarHBondContact O-CB 3.44Å; V100-L104 VanDerWaalsContact O-CG 3.24Å; V100-L104 WeakPolarHBondContact O-CG 3.4Å; V100-L104 PolarHBondContact O-N 2.9Å; L104-V106 PolarHBondContact O-N 3.13Å; L104-K107 WeakPolarHBondContact O-CB 3.26Å; L104-K107 PolarHBondContact O-N 3.42Å; L104-K107 VanDerWaalsContact O-N 3.1Å; L104-E108 WeakPolarHBondContact O-CB 3.38Å; L104-E108 PolarHBondContact O-N 2.93Å
105W76Confident66.3Low133 Ų13394.5 Ų94.550%0.50453%0.531SS..Hα-helixtrans-59.2-47.5175.7-168.176.4000111.2G101 L102 K107 E108 Y109G101-W105 WeakPolarHBondContact O-CB 3.29Å; G101-W105 PolarHBondContact O-N 3.15Å; L102-W105 PolarHBondContact O-N 3.11Å; W105-K107 PolarHBondContact O-N 3.06Å; W105-E108 PolarHBondContact O-N 3.27Å; W105-Y109 AromaticContact CD1-CD2 3.92Å; W105-Y109 AromaticContact CD1-CE2 3.34Å; W105-Y109 HydrophobicContact CD2-CD2 4.19Å; W105-Y109 HydrophobicContact CD2-CE2 4.14Å; W105-Y109 AromaticContact CE2-CD2 3.92Å; W105-Y109 AromaticContact CE2-CE2 3.51Å; W105-Y109 AromaticContact CE2-CZ 3.89Å; W105-Y109 HydrophobicContact CG-CD2 4.19Å; W105-Y109 HydrophobicContact CG-CE2 4.03Å; W105-Y109 HydrophobicContact CZ2-CD2 4.46Å; W105-Y109 HydrophobicContact CZ2-CE2 4.13Å; W105-Y109 AromaticContact NE1-CD2 3.76Å; W105-Y109 AromaticContact NE1-CE2 2.97Å; W105-Y109 AromaticContact NE1-CZ 3.43Å; W105-Y109 PolarHBondContact NE1-OH 3.29Å; W105-Y109 VanDerWaalsContact O-CD2 3.25Å; W105-Y109 WeakPolarHBondContact O-CD2 3.47Å; W105-Y109 PolarHBondContact O-N 2.9Å
106V69.8Low63.8Low68 Ų6898.1 Ų98.141%0.41255%0.55SS..Hα-helixtrans-62.9-31176.3172.20000112.2L102 L104 N119L102-V106 WeakPolarHBondContact O-CB 3.45Å; L102-V106 VanDerWaalsContact O-CG2 3.27Å; L102-V106 WeakPolarHBondContact O-CG2 3.4Å; L102-V106 PolarHBondContact O-N 2.95Å; L104-V106 PolarHBondContact O-N 3.13Å; V106-N119 PolarHBondContact O-ND2 2.93Å
107K63.2Low61.4Low152 Ų152101.7 Ų101.766%0.66157%0.57SS**Hα-helixtrans-75.2-31.5177.6-169.9178.5176.5-175.80113.5V103 L104 W105V103-K107 WeakPolarHBondContact O-CB 3.25Å; V103-K107 PolarHBondContact O-N 3.47Å; V103-K107 VanDerWaalsContact O-N 3.09Å; L104-K107 WeakPolarHBondContact O-CB 3.26Å; L104-K107 PolarHBondContact O-N 3.42Å; L104-K107 VanDerWaalsContact O-N 3.1Å; W105-K107 PolarHBondContact O-N 3.06Å
108E56.5Low59.1Low164 Ų164105.3 Ų105.377%0.76657%0.574SS**Hα-helixtrans-85.8-25-173.7-157.6165.1-164.900112.9L104 W105 D110L104-E108 WeakPolarHBondContact O-CB 3.38Å; L104-E108 PolarHBondContact O-N 2.93Å; W105-E108 PolarHBondContact O-N 3.27Å; E108-D110 VanDerWaalsContact C-N 3.29Å; E108-D110 PolarHBondContact O-N 3.23Å; E108-D110 VanDerWaalsContact O-N 3.12Å
109Y50.3Low57.1Low128 Ų128103 Ų10350%0.50256%0.563SS.*  trans-86.449.2178.5-79.1-100.4000113.8W105 G111W105-Y109 AromaticContact CD1-CD2 3.92Å; W105-Y109 AromaticContact CD1-CE2 3.34Å; W105-Y109 HydrophobicContact CD2-CD2 4.19Å; W105-Y109 HydrophobicContact CD2-CE2 4.14Å; W105-Y109 AromaticContact CE2-CD2 3.92Å; W105-Y109 AromaticContact CE2-CE2 3.51Å; W105-Y109 AromaticContact CE2-CZ 3.89Å; W105-Y109 HydrophobicContact CG-CD2 4.19Å; W105-Y109 HydrophobicContact CG-CE2 4.03Å; W105-Y109 HydrophobicContact CZ2-CD2 4.46Å; W105-Y109 HydrophobicContact CZ2-CE2 4.13Å; W105-Y109 AromaticContact NE1-CD2 3.76Å; W105-Y109 AromaticContact NE1-CE2 2.97Å; W105-Y109 AromaticContact NE1-CZ 3.43Å; W105-Y109 PolarHBondContact NE1-OH 3.29Å; W105-Y109 VanDerWaalsContact O-CD2 3.25Å; W105-Y109 WeakPolarHBondContact O-CD2 3.47Å; W105-Y109 PolarHBondContact O-N 2.9Å; Y109-G111 PolarHBondContact O-N 3.46Å
110D42Very low55.1Low127 Ų127105.6 Ų105.668%0.67959%0.585SS**SBendtrans-75.622.3175.9-15525.2000113.4E108E108-D110 VanDerWaalsContact C-N 3.29Å; E108-D110 PolarHBondContact O-N 3.23Å; E108-D110 VanDerWaalsContact O-N 3.12Å
111G38Very low53.3Low67 Ų67104.6 Ų104.669%0.69158%0.579SS**SBendtrans-158.1-3.6-167.200000120.2Y109Y109-G111 PolarHBondContact O-N 3.46Å
112V32.4Very low51.5Low103 Ų103104 Ų10462%0.62457%0.572SS**SBendtrans-133.7104.7179.2-1750000111.8V114V112-V114 PolarHBondContact O-N 2.95Å
113V36.8Very low50Low146 Ų146102.7 Ų102.789%0.88557%0.572SS**  trans-8.380.5154.7-168.60000114.9
114V34.6Very low48.6Very low102 Ų102107.8 Ų107.862%0.61858%0.584SS**  trans-132.785159.6-177.10000107.5V112 V116V112-V114 PolarHBondContact O-N 2.95Å; V114-V116 PolarHBondContact O-N 3.13Å
115V41.8Very low47.5Very low145 Ų145106.8 Ų106.888%0.87958%0.578SS**SBendtrans46.7-11.6151.5-173.90000120.6
116V37.3Very low46.8Very low90 Ų90105.2 Ų105.255%0.54558%0.579SS.*  trans-143.388.7172.2-131.70000110.8V114 F118V114-V116 PolarHBondContact O-N 3.13Å; V116-F118 HydrophobicContact CB-CD2 3.74Å; V116-F118 HydrophobicContact CB-CE2 3.46Å; V116-F118 VanDerWaalsContact CB-CE2 3.46Å; V116-F118 HydrophobicContact CB-CZ 4.17Å; V116-F118 HydrophobicContact CG1-CD2 3.62Å; V116-F118 HydrophobicContact CG1-CE1 3.97Å; V116-F118 HydrophobicContact CG1-CE2 2.99Å; V116-F118 HydrophobicContact CG1-CG 4.36Å; V116-F118 HydrophobicContact CG1-CZ 3.18Å; V116-F118 HydrophobicContact CG2-CE2 4.34Å; V116-F118 PolarHBondContact O-N 3.19Å; V116-F118 VanDerWaalsContact O-N 3.14Å
117N37.1Very low46.5Very low134 Ų134111.2 Ų111.272%0.71760%0.595SS**  trans-77.191175.3-168.7-18.5000109.1
118F41.9Very low47Very low138 Ų138112.3 Ų112.361%0.60560%0.603SS**  trans-99.4-8.3-177.9-77.2-61.6000114.9V116V116-F118 HydrophobicContact CB-CD2 3.74Å; V116-F118 HydrophobicContact CB-CE2 3.46Å; V116-F118 VanDerWaalsContact CB-CE2 3.46Å; V116-F118 HydrophobicContact CB-CZ 4.17Å; V116-F118 HydrophobicContact CG1-CD2 3.62Å; V116-F118 HydrophobicContact CG1-CE1 3.97Å; V116-F118 HydrophobicContact CG1-CE2 2.99Å; V116-F118 HydrophobicContact CG1-CG 4.36Å; V116-F118 HydrophobicContact CG1-CZ 3.18Å; V116-F118 HydrophobicContact CG2-CE2 4.34Å; V116-F118 PolarHBondContact O-N 3.19Å; V116-F118 VanDerWaalsContact O-N 3.14Å
119N44.5Very low47.7Very low65 Ų65107.5 Ų107.535%0.34860%0.597SS.*SBendtrans-105.2-28.6-162.3-128.62.1000115.6V106 V121V106-N119 PolarHBondContact O-ND2 2.93Å; N119-V121 VanDerWaalsContact C-N 3.27Å; N119-V121 PolarHBondContact O-N 2.91Å
120S42Very low48.5Very low80 Ų80110.6 Ų110.656%0.55962%0.616SS**THydrogen-bonded Turntrans-78.8-10.2-175.870.40000114.3
121V46.2Very low50Low64 Ų64107.6 Ų107.639%0.38862%0.615SS.*THydrogen-bonded Turntrans-14020.6-177.7-153.80000112.4N119 S123 W124N119-V121 VanDerWaalsContact C-N 3.27Å; N119-V121 PolarHBondContact O-N 2.91Å; V121-S123 PolarHBondContact O-N 3.49Å; V121-W124 HydrophobicContact CB-CD2 4.01Å; V121-W124 VanDerWaalsContact CB-CE2 3.43Å; V121-W124 HydrophobicContact CB-CG 4.1Å; V121-W124 HydrophobicContact CB-CZ2 3.85Å; V121-W124 VanDerWaalsContact CB-NE1 3.28Å; V121-W124 HydrophobicContact CG1-CB 4.18Å; V121-W124 HydrophobicContact CG1-CD2 3.33Å; V121-W124 HydrophobicContact CG1-CE3 4.05Å; V121-W124 HydrophobicContact CG1-CG 3.4Å; V121-W124 VanDerWaalsContact CG1-CG 3.4Å; V121-W124 HydrophobicContact CG1-CZ2 3.94Å; V121-W124 HydrophobicContact CG2-CZ2 3.99Å; V121-W124 PolarHBondContact O-N 3.24Å; V121-W124 VanDerWaalsContact O-N 3.09Å; V121-W124 PolarHBondContact O-NE1 3.45Å
122G47.7Very low51.2Low26 Ų26110.6 Ų110.627%0.26863%0.625SS.*THydrogen-bonded Turntrans-54.7-0.3-169.300000118.9M125G122-M125 VanDerWaalsContact O-CE 3.28Å; G122-M125 WeakPolarHBondContact O-CE 3.38Å; G122-M125 VanDerWaalsContact O-CG 3.3Å; G122-M125 WeakPolarHBondContact O-CG 3.47Å
123S50.6Low53.1Low72 Ų72108.6 Ų108.650%0.50363%0.626SS.*THydrogen-bonded Turntrans-92.8-20.8174.8-1670000114.9V121 M125V121-S123 PolarHBondContact O-N 3.49Å; S123-M125 PolarHBondContact O-N 3.42Å; S123-M125 VanDerWaalsContact O-N 3.16Å
124W51.8Low55Low164 Ų164110.3 Ų110.362%0.62163%0.629SS**  trans-84.538.6177.872-14.4000112.8V121 I126V121-W124 HydrophobicContact CB-CD2 4.01Å; V121-W124 VanDerWaalsContact CB-CE2 3.43Å; V121-W124 HydrophobicContact CB-CG 4.1Å; V121-W124 HydrophobicContact CB-CZ2 3.85Å; V121-W124 VanDerWaalsContact CB-NE1 3.28Å; V121-W124 HydrophobicContact CG1-CB 4.18Å; V121-W124 HydrophobicContact CG1-CD2 3.33Å; V121-W124 HydrophobicContact CG1-CE3 4.05Å; V121-W124 HydrophobicContact CG1-CG 3.4Å; V121-W124 VanDerWaalsContact CG1-CG 3.4Å; V121-W124 HydrophobicContact CG1-CZ2 3.94Å; V121-W124 HydrophobicContact CG2-CZ2 3.99Å; V121-W124 PolarHBondContact O-N 3.24Å; V121-W124 VanDerWaalsContact O-N 3.09Å; V121-W124 PolarHBondContact O-NE1 3.45Å; W124-I126 PolarHBondContact O-N 3.34Å; W124-I126 VanDerWaalsContact O-N 3.15Å
125M56.8Low57.2Low75 Ų75111 Ų11137%0.36963%0.628SS.*  trans-66.4-16.7-175.2-66.9179.5161.700113L5 F46 G122 S123L5-M125 HydrophobicContact CB-SD 4.11Å; L5-M125 HydrophobicContact CD1-SD 4.2Å; F46-M125 HydrophobicContact CE1-CB 4.41Å; G122-M125 VanDerWaalsContact O-CE 3.28Å; G122-M125 WeakPolarHBondContact O-CE 3.38Å; G122-M125 VanDerWaalsContact O-CG 3.3Å; G122-M125 WeakPolarHBondContact O-CG 3.47Å; S123-M125 PolarHBondContact O-N 3.42Å; S123-M125 VanDerWaalsContact O-N 3.16Å
126I60.8Low59.1Low100 Ų100111 Ų11151%0.51361%0.612SS.*  trans-91.8101.8170.3-57.7173000106.5F46 W124 E128F46-I126 HydrophobicContact CD1-CG1 4.41Å; W124-I126 PolarHBondContact O-N 3.34Å; W124-I126 VanDerWaalsContact O-N 3.15Å; I126-E128 VanDerWaalsContact CG2-O 3.3Å; I126-E128 WeakPolarHBondContact CG2-O 3.35Å
127Y64.9Low61.5Low194 Ų194114.7 Ų114.776%0.76162%0.623SS**SBendtrans-66.5-51-175.5-68.5-79.8000112.1
128E72.6Confident63.8Low175 Ų175110 Ų11082%0.81860%0.598SS**SBendtrans-118.8132.4173.4-69.8-173.9166.100108.8I126I126-E128 VanDerWaalsContact CG2-O 3.3Å; I126-E128 WeakPolarHBondContact CG2-O 3.35Å
129G71.6Confident66Low62 Ų62106.5 Ų106.564%0.63959%0.589SS**  trans-70.1165.517700000111.8G131G129-G131 PolarHBondContact O-N 2.85Å
130E67Low68.2Low194 Ų194107.7 Ų107.791%0.90760%0.595SS**  trans-57.5105.9169.462.1-170.8168.300108.3
131G74.4Confident70.4Confident63 Ų63106.2 Ų106.265%0.64959%0.593SS**  trans-60.1-178.2178.800000111.7G129 G133G129-G131 PolarHBondContact O-N 2.85Å; G131-G133 PolarHBondContact O-N 2.96Å
132S62.4Low72.5Confident131 Ų131104.6 Ų104.692%0.91659%0.585SS**SBendtrans-73.420.6178.757.80000114.8
133G73.1Confident74.6Confident61 Ų61105.1 Ų105.163%0.62959%0.591SS**  trans-66.5136.7-179.800000111.8G131 I135G131-G133 PolarHBondContact O-N 2.96Å; G133-I135 PolarHBondContact O-N 3.26Å
134L75.6Confident76.6Confident182 Ų182103.2 Ų103.295%0.95358%0.58SS**SBendtrans-72.8-14.3176.7-65.8174.4000113.1
135I81.1Confident78.5Confident117 Ų11798.8 Ų98.860%0.657%0.568SS**SBendtrans-131.8136.7-171.4-44171.5000109.6G133 I140G133-I135 PolarHBondContact O-N 3.26Å; 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 4.1Å; I135-I140 HydrophobicContact CG1-CD1 4.39Å; I135-I140 HydrophobicContact CG2-CD1 3.18Å; I135-I140 HydrophobicContact CG2-CG1 3.58Å
136R82.6Confident80.2Confident144 Ų144103.6 Ų103.654%0.54358%0.583SS.*  trans-71.9144.8174.4-65.2176.371178.46.3110.8G47 P139G47-R136 PolarHBondContact O-NH2 3.38Å; R136-P139 WeakPolarHBondContact O-CD 3.22Å
137E86.3Confident81.7Confident167 Ų167103.3 Ų103.378%0.7858%0.583SS**Hα-helixtrans-68.7-44-170.8-59.8-178.7177.100113I140 G141E137-I140 PolarHBondContact O-N 2.88Å; E137-G141 PolarHBondContact O-N 3.38Å
138D85.6Confident82.9Confident37 Ų37103.5 Ų103.520%0.19858%0.583CS.*Hα-helixtrans-54.1-53.6-172.2-43.6-30.5000115.1G48 G49 Y50 M51 I140 G141 A142G48-D138 WeakPolarHBondContact CA-OD2 3.41Å; G49-D138 PolarHBondContact N-OD2 2.99Å; Y50-D138 HydrophobicContact CD1-CB 4.47Å; Y50-D138 PolarHBondContact N-OD2 3.43Å; M51-D138 HydrophobicContact CG-CB 4.29Å; D138-I140 VanDerWaalsContact C-N 3.32Å; D138-I140 PolarHBondContact O-N 2.95Å; D138-G141 PolarHBondContact O-N 2.91Å; D138-A142 WeakPolarHBondContact O-CB 3.27Å; D138-A142 PolarHBondContact O-N 3.38Å
139P88.1Confident83.9Confident64 Ų6495.8 Ų95.842%0.41655%0.551SS.*Hα-helixtrans-69.3-29.7-176.828.1-36.2000112.5R136 G143R136-P139 WeakPolarHBondContact O-CD 3.22Å; P139-G143 PolarHBondContact O-N 2.91Å
140I91.7Very high84.9Confident89 Ų89101.4 Ų101.446%0.45655%0.553SS.*Hα-helixtrans-68.4-47.4175.4-60.5168.6000109.5I135 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 4.1Å; I135-I140 HydrophobicContact CG1-CD1 4.39Å; I135-I140 HydrophobicContact CG2-CD1 3.18Å; I135-I140 HydrophobicContact CG2-CG1 3.58Å; E137-I140 PolarHBondContact O-N 2.88Å; D138-I140 VanDerWaalsContact C-N 3.32Å; D138-I140 PolarHBondContact O-N 2.95Å; I140-A142 VanDerWaalsContact C-N 3.31Å; I140-A142 PolarHBondContact O-N 3.37Å; I140-G143 PolarHBondContact O-N 3.42Å; I140-G143 VanDerWaalsContact O-N 3.11Å; I140-A144 PolarHBondContact O-N 3.38Å
141G88.5Confident86.3Confident50 Ų50102.2 Ų102.252%0.51555%0.548SS..Hα-helixtrans-60-41177.400000112.3E137 D138 A144E137-G141 PolarHBondContact O-N 3.38Å; D138-G141 PolarHBondContact O-N 2.91Å; G141-A144 WeakPolarHBondContact O-CB 3.49Å; G141-A144 PolarHBondContact O-N 2.95Å
142A89.9Confident87.3Confident29 Ų29104.5 Ų104.524%0.2454%0.544CS..Hα-helixtrans-65.4-37.817400000112.6Y50 D138 I140 A144 L145Y50-A142 HydrophobicContact CD1-CB 3.97Å; Y50-A142 HydrophobicContact CE1-CB 3.36Å; D138-A142 WeakPolarHBondContact O-CB 3.27Å; D138-A142 PolarHBondContact O-N 3.38Å; I140-A142 VanDerWaalsContact C-N 3.31Å; I140-A142 PolarHBondContact O-N 3.37Å; A142-A144 VanDerWaalsContact C-N 3.33Å; A142-L145 VanDerWaalsContact O-CB 3.26Å; A142-L145 WeakPolarHBondContact O-CB 3.24Å; A142-L145 PolarHBondContact O-N 3.43Å
143G90.9Very high88.9Confident37 Ų37100.7 Ų100.738%0.38152%0.515SS..Hα-helixtrans-65.6-34.217500000113.3P139 I140 L145 Y146P139-G143 PolarHBondContact O-N 2.91Å; I140-G143 PolarHBondContact O-N 3.42Å; I140-G143 VanDerWaalsContact O-N 3.11Å; G143-L145 PolarHBondContact O-N 2.66Å; G143-Y146 PolarHBondContact O-N 3.23Å; G143-Y146 VanDerWaalsContact O-N 3.14Å
144A92.8Very high90Very high32 Ų32102 Ų10226%0.26451%0.511SS..Hα-helixtrans-64.4-7.5178.400000113.9I140 G141 A142 Y146 D147 Y148 G149I140-A144 PolarHBondContact O-N 3.38Å; G141-A144 WeakPolarHBondContact O-CB 3.49Å; G141-A144 PolarHBondContact O-N 2.95Å; A142-A144 VanDerWaalsContact C-N 3.33Å; A144-Y146 VanDerWaalsContact C-N 3.28Å; A144-D147 WeakPolarHBondContact CA-OD1 3.33Å; A144-Y148 HydrophobicContact CB-CD2 4.16Å; A144-Y148 PolarHBondContact O-N 3.12Å; A144-G149 PolarHBondContact O-N 3.37Å
145L92.6Very high91.1Very high71 Ų7197.3 Ų97.337%0.37249%0.49SS..Hα-helixtrans-71.2-24.1174.6-168.3133.7000112.2A142 G143 G149 V153A142-L145 VanDerWaalsContact O-CB 3.26Å; A142-L145 WeakPolarHBondContact O-CB 3.24Å; A142-L145 PolarHBondContact O-N 3.43Å; G143-L145 PolarHBondContact O-N 2.66Å; L145-G149 CarbonylContact O-C 3.07Å; L145-G149 WeakPolarHBondContact O-CA 3.24Å; L145-G149 PolarHBondContact O-N 3.08Å; L145-V153 HydrophobicContact CD2-CG2 3.32Å; L145-V153 HydrophobicContact CG-CG2 4.26Å; L145-V153 WeakPolarHBondContact O-CG2 3.42Å
146Y92.5Very high91.8Very high176 Ų17695.3 Ų95.369%0.6948%0.483SS*.Hα-helixtrans-87.8-31.9-176.4-69.6-72.6000114.2G143 A144 V153G143-Y146 PolarHBondContact O-N 3.23Å; G143-Y146 VanDerWaalsContact O-N 3.14Å; A144-Y146 VanDerWaalsContact C-N 3.28Å; Y146-V153 HydrophobicContact CD1-CG2 4.43Å
147D91.4Very high92.4Very high95 Ų9590.4 Ų90.451%0.50848%0.477SS..Hα-helixtrans-89.8-55.9178.351.1-2.8000111.4A144 R150A144-D147 WeakPolarHBondContact CA-OD1 3.33Å; D147-R150 WeakPolarHBondContact O-CG 3.39Å
148Y91.1Very high93Very high198 Ų19890.4 Ų90.478%0.77647%0.47SS*.THydrogen-bonded Turntrans-85.5-41.4179.5-61.4-78.8000112.2A144 R150A144-Y148 HydrophobicContact CB-CD2 4.16Å; A144-Y148 PolarHBondContact O-N 3.12Å; Y148-R150 PolarHBondContact O-N 3.46Å; Y148-R150 VanDerWaalsContact O-N 3.07Å
149G93Very high93.6Very high13 Ų1392.5 Ų92.513%0.13449%0.485CS..  trans-79.624.1-17300000116.1A144 L145 W151 L152 V153A144-G149 PolarHBondContact O-N 3.37Å; L145-G149 CarbonylContact O-C 3.07Å; L145-G149 WeakPolarHBondContact O-CA 3.24Å; L145-G149 PolarHBondContact O-N 3.08Å; G149-W151 VanDerWaalsContact C-N 3.29Å; G149-W151 PolarHBondContact O-N 3.11Å; G149-W151 VanDerWaalsContact O-N 3.16Å; G149-L152 WeakPolarHBondContact O-CA 3.38Å; G149-L152 WeakPolarHBondContact O-CB 3.45Å; G149-L152 PolarHBondContact O-N 3.43Å; G149-V153 PolarHBondContact O-N 3.16Å
150R93.6Very high93.8Very high179 Ų17993.4 Ų93.468%0.67549%0.493SS*.Hα-helixtrans-53.5-41.9-173-64.1176.968.1-173.22113.6D147 Y148 V153 V154D147-R150 WeakPolarHBondContact O-CG 3.39Å; Y148-R150 PolarHBondContact O-N 3.46Å; Y148-R150 VanDerWaalsContact O-N 3.07Å; R150-V153 WeakPolarHBondContact O-CB 3.11Å; R150-V153 PolarHBondContact O-N 3.27Å; R150-V154 WeakPolarHBondContact O-CG2 3.26Å; R150-V154 PolarHBondContact O-N 3.22Å; R150-V154 VanDerWaalsContact O-N 3.08Å
151W95.1Very high94.1Very high212 Ų21294.2 Ų94.280%0.80349%0.493SS*.Hα-helixtrans-66.9-38.6176.9-80.6111.2000112.7G149 V153 V154 V155G149-W151 VanDerWaalsContact C-N 3.29Å; G149-W151 PolarHBondContact O-N 3.11Å; G149-W151 VanDerWaalsContact O-N 3.16Å; W151-V153 VanDerWaalsContact C-N 3.31Å; W151-V153 PolarHBondContact O-N 3.49Å; W151-V154 PolarHBondContact O-N 2.91Å; W151-V155 WeakPolarHBondContact O-CG2 3.3Å; W151-V155 PolarHBondContact O-N 3.24Å
152L95.1Very high94.6Very high111 Ų11194.1 Ų94.158%0.58148%0.482SS*.Hα-helixtrans-62.2-41.3174.3-74.6169.5000110.7G149 V154 V155 T156G149-L152 WeakPolarHBondContact O-CA 3.38Å; G149-L152 WeakPolarHBondContact O-CB 3.45Å; G149-L152 PolarHBondContact O-N 3.43Å; L152-V154 PolarHBondContact O-N 3.41Å; L152-V155 PolarHBondContact O-N 3.43Å; L152-T156 WeakPolarHBondContact O-CB 3.18Å; L152-T156 VanDerWaalsContact O-CG2 3.31Å; L152-T156 WeakPolarHBondContact O-CG2 3.36Å; L152-T156 PolarHBondContact O-N 2.85Å; L152-T156 PolarHBondContact O-OG1 2.83Å
153V96.1Very high94.9Very high50 Ų5094 Ų9430%0.30348%0.484SS..Hα-helixtrans-59.9-45.2175.1177.60000111.7L145 Y146 G149 R150 W151 T156 G157L145-V153 HydrophobicContact CD2-CG2 3.32Å; L145-V153 HydrophobicContact CG-CG2 4.26Å; L145-V153 WeakPolarHBondContact O-CG2 3.42Å; Y146-V153 HydrophobicContact CD1-CG2 4.43Å; G149-V153 PolarHBondContact O-N 3.16Å; R150-V153 WeakPolarHBondContact O-CB 3.11Å; R150-V153 PolarHBondContact O-N 3.27Å; W151-V153 VanDerWaalsContact C-N 3.31Å; W151-V153 PolarHBondContact O-N 3.49Å; V153-T156 PolarHBondContact O-OG1 2.95Å; V153-G157 PolarHBondContact O-N 3.44Å
154V97.3Very high95.2Very high90 Ų9096.3 Ų96.355%0.54549%0.491SS..Hα-helixtrans-62.9-45.2179.2174.50000110.5R150 W151 L152 W158R150-V154 WeakPolarHBondContact O-CG2 3.26Å; R150-V154 PolarHBondContact O-N 3.22Å; R150-V154 VanDerWaalsContact O-N 3.08Å; W151-V154 PolarHBondContact O-N 2.91Å; L152-V154 PolarHBondContact O-N 3.41Å; V154-W158 WeakPolarHBondContact O-CB 3.25Å; V154-W158 PolarHBondContact O-N 2.92Å
155V97.8Very high95.3Very high83 Ų83100.7 Ų100.750%0.50350%0.501SS..Hα-helixtrans-66.9-48.2-179.7174.50000111.3W151 L152 G157 W158 T159W151-V155 WeakPolarHBondContact O-CG2 3.3Å; W151-V155 PolarHBondContact O-N 3.24Å; L152-V155 PolarHBondContact O-N 3.43Å; V155-G157 PolarHBondContact O-N 3.35Å; V155-W158 PolarHBondContact O-N 2.98Å; V155-T159 HydrophobicContact CG1-CG2 4.35Å; V155-T159 WeakPolarHBondContact O-CG2 3.4Å; V155-T159 PolarHBondContact O-N 2.88Å; V155-T159 PolarHBondContact O-OG1 3.3Å
156T95.6Very high95.5Very high75 Ų75101.4 Ų101.446%0.4650%0.504SS..Hα-helixtrans-63.1-45.6-179.655.50000111.2L152 V153 W158 T159 S160L152-T156 WeakPolarHBondContact O-CB 3.18Å; L152-T156 VanDerWaalsContact O-CG2 3.31Å; L152-T156 WeakPolarHBondContact O-CG2 3.36Å; L152-T156 PolarHBondContact O-N 2.85Å; L152-T156 PolarHBondContact O-OG1 2.83Å; V153-T156 PolarHBondContact O-OG1 2.95Å; T156-W158 VanDerWaalsContact C-N 3.34Å; T156-W158 PolarHBondContact O-N 2.73Å; T156-T159 WeakPolarHBondContact CA-OG1 3.5Å; T156-T159 PolarHBondContact O-N 3.14Å; T156-T159 PolarHBondContact O-OG1 3.29Å; T156-S160 PolarHBondContact O-N 2.96Å; T156-S160 PolarHBondContact O-OG 3.32Å
157G96.7Very high95.7Very high41 Ų4197.7 Ų97.742%0.42350%0.5SS..Hα-helixtrans-59.1-43.4174.800000112.7V153 V155 S160 F161V153-G157 PolarHBondContact O-N 3.44Å; V155-G157 PolarHBondContact O-N 3.35Å; G157-S160 PolarHBondContact O-N 2.97Å; G157-F161 WeakPolarHBondContact O-CB 3.25Å; G157-F161 PolarHBondContact O-N 3.22Å
158W97.7Very high95.9Very high166 Ų16697.9 Ų97.963%0.62950%0.5SS*.Hα-helixtrans-64.8-44176.6-172.1-99.7000112.3V154 V155 T156 S160 F161 V162V154-W158 WeakPolarHBondContact O-CB 3.25Å; V154-W158 PolarHBondContact O-N 2.92Å; V155-W158 PolarHBondContact O-N 2.98Å; T156-W158 VanDerWaalsContact C-N 3.34Å; T156-W158 PolarHBondContact O-N 2.73Å; W158-S160 PolarHBondContact O-N 3.09Å; W158-F161 HydrophobicContact CE3-CD1 4.5Å; W158-F161 HydrophobicContact CZ3-CD1 4.4Å; W158-F161 PolarHBondContact O-N 3.21Å; W158-V162 HydrophobicContact CD2-CG2 4.33Å; W158-V162 HydrophobicContact CG-CG2 4.45Å; W158-V162 HydrophobicContact CZ2-CG2 4.23Å; W158-V162 WeakPolarHBondContact O-CG2 3.42Å; W158-V162 PolarHBondContact O-N 2.66Å
159T97.6Very high96.1Very high82 Ų8295.5 Ų95.550%0.50350%0.496SS..Hα-helixtrans-63-40.617855.50000112.3V155 T156 G163V155-T159 HydrophobicContact CG1-CG2 4.35Å; V155-T159 WeakPolarHBondContact O-CG2 3.4Å; V155-T159 PolarHBondContact O-N 2.88Å; V155-T159 PolarHBondContact O-OG1 3.3Å; T156-T159 WeakPolarHBondContact CA-OG1 3.5Å; T156-T159 PolarHBondContact O-N 3.14Å; T156-T159 PolarHBondContact O-OG1 3.29Å; T159-G163 PolarHBondContact O-N 3.1Å
160S93.7Very high96.2Very high83 Ų83100.8 Ų100.858%0.5852%0.52SS*.Hα-helixtrans-67.2-40.4175.1-63.60000111.9T156 G157 W158 G163 V164T156-S160 PolarHBondContact O-N 2.96Å; T156-S160 PolarHBondContact O-OG 3.32Å; G157-S160 PolarHBondContact O-N 2.97Å; W158-S160 PolarHBondContact O-N 3.09Å; S160-G163 PolarHBondContact O-N 2.94Å; S160-V164 PolarHBondContact O-N 3.48Å
161F97.6Very high96.2Very high105 Ų10595.4 Ų95.446%0.46151%0.513SS..Hα-helixtrans-61.6-51.1177.1179.5-107.5000111.9G157 W158 G163 V164 Y165G157-F161 WeakPolarHBondContact O-CB 3.25Å; G157-F161 PolarHBondContact O-N 3.22Å; W158-F161 HydrophobicContact CE3-CD1 4.5Å; W158-F161 HydrophobicContact CZ3-CD1 4.4Å; W158-F161 PolarHBondContact O-N 3.21Å; F161-G163 VanDerWaalsContact C-N 3.28Å; F161-G163 PolarHBondContact O-N 3.27Å; F161-V164 PolarHBondContact O-N 2.95Å; F161-Y165 HydrophobicContact CD1-CD2 4.42Å; F161-Y165 AromaticContact CD1-CE2 3.97Å; F161-Y165 HydrophobicContact CD1-CE2 3.97Å; F161-Y165 HydrophobicContact CD2-CE2 4.14Å; F161-Y165 HydrophobicContact CE1-CD2 4.27Å; F161-Y165 AromaticContact CE1-CE2 3.49Å; F161-Y165 HydrophobicContact CE1-CE2 3.49Å; F161-Y165 VanDerWaalsContact CE1-CE2 3.49Å; F161-Y165 AromaticContact CE2-CE2 3.68Å; F161-Y165 HydrophobicContact CE2-CE2 3.68Å; F161-Y165 HydrophobicContact CG-CE2 4.29Å; F161-Y165 HydrophobicContact CZ-CD2 4.48Å; F161-Y165 AromaticContact CZ-CE2 3.35Å; F161-Y165 HydrophobicContact CZ-CE2 3.35Å; F161-Y165 AromaticContact CZ-CZ 3.85Å; F161-Y165 WeakPolarHBondContact CZ-OH 3.45Å; F161-Y165 VanDerWaalsContact O-CD2 3.28Å; F161-Y165 WeakPolarHBondContact O-CD2 3.28Å
162V97.8Very high96Very high49 Ų4995.6 Ų95.630%0.29751%0.514SS..Hα-helixtrans-64.3-36.2176.4178.30000110.9W158 V164 Y165 I166W158-V162 HydrophobicContact CD2-CG2 4.33Å; W158-V162 HydrophobicContact CG-CG2 4.45Å; W158-V162 HydrophobicContact CZ2-CG2 4.23Å; W158-V162 WeakPolarHBondContact O-CG2 3.42Å; W158-V162 PolarHBondContact O-N 2.66Å; V162-V164 VanDerWaalsContact C-N 3.26Å; V162-V164 PolarHBondContact O-N 3.09Å; V162-Y165 PolarHBondContact O-N 3.14Å; V162-Y165 VanDerWaalsContact O-N 3.08Å; V162-I166 HydrophobicContact CG1-CD1 3.8Å; V162-I166 HydrophobicContact CG1-CG1 4.15Å; V162-I166 WeakPolarHBondContact O-CG1 3.39Å; V162-I166 PolarHBondContact O-N 3.46Å
163G96.9Very high95.5Very high27 Ų2793.6 Ų93.628%0.27852%0.52SS..Hα-helixtrans-55-39.3175.200000113.3T159 S160 F161 I166 V167T159-G163 PolarHBondContact O-N 3.1Å; S160-G163 PolarHBondContact O-N 2.94Å; F161-G163 VanDerWaalsContact C-N 3.28Å; F161-G163 PolarHBondContact O-N 3.27Å; G163-I166 PolarHBondContact O-N 3.44Å; G163-V167 WeakPolarHBondContact O-CG2 3.46Å; G163-V167 PolarHBondContact O-N 3.48Å
164V96.5Very high93.8Very high85 Ų85101.4 Ų101.452%0.51556%0.56SS.*Hα-helixtrans-62.6-45.7175.2174.60000111.4S160 F161 V162 V167 I168S160-V164 PolarHBondContact O-N 3.48Å; F161-V164 PolarHBondContact O-N 2.95Å; V162-V164 VanDerWaalsContact C-N 3.26Å; V162-V164 PolarHBondContact O-N 3.09Å; V164-V167 PolarHBondContact O-N 2.7Å; V164-I168 HydrophobicContact CG1-CD1 3.83Å; V164-I168 VanDerWaalsContact O-CG1 3.31Å; V164-I168 WeakPolarHBondContact O-CG1 3.34Å; V164-I168 PolarHBondContact O-N 3.48Å
165Y96.3Very high93.7Very high123 Ų123102 Ų10248%0.48256%0.561SS.*Hα-helixtrans-63.4-42.8177.4-70.8-77.5000112.2F161 V162 V167 I168 E169F161-Y165 HydrophobicContact CD1-CD2 4.42Å; F161-Y165 AromaticContact CD1-CE2 3.97Å; F161-Y165 HydrophobicContact CD1-CE2 3.97Å; F161-Y165 HydrophobicContact CD2-CE2 4.14Å; F161-Y165 HydrophobicContact CE1-CD2 4.27Å; F161-Y165 AromaticContact CE1-CE2 3.49Å; F161-Y165 HydrophobicContact CE1-CE2 3.49Å; F161-Y165 VanDerWaalsContact CE1-CE2 3.49Å; F161-Y165 AromaticContact CE2-CE2 3.68Å; F161-Y165 HydrophobicContact CE2-CE2 3.68Å; F161-Y165 HydrophobicContact CG-CE2 4.29Å; F161-Y165 HydrophobicContact CZ-CD2 4.48Å; F161-Y165 AromaticContact CZ-CE2 3.35Å; F161-Y165 HydrophobicContact CZ-CE2 3.35Å; F161-Y165 AromaticContact CZ-CZ 3.85Å; F161-Y165 WeakPolarHBondContact CZ-OH 3.45Å; F161-Y165 VanDerWaalsContact O-CD2 3.28Å; F161-Y165 WeakPolarHBondContact O-CD2 3.28Å; V162-Y165 PolarHBondContact O-N 3.14Å; V162-Y165 VanDerWaalsContact O-N 3.08Å; Y165-V167 VanDerWaalsContact C-N 3.33Å; Y165-V167 PolarHBondContact O-N 3.42Å; Y165-I168 PolarHBondContact O-N 3.28Å; Y165-E169 PolarHBondContact O-N 3Å
166I97.1Very high93.4Very high86 Ų86102.9 Ų102.944%0.44156%0.564SS.*Hα-helixtrans-57.3-48.7177.1-68.5168.3000110V162 G163 I168 E169 I170V162-I166 HydrophobicContact CG1-CD1 3.8Å; V162-I166 HydrophobicContact CG1-CG1 4.15Å; V162-I166 WeakPolarHBondContact O-CG1 3.39Å; V162-I166 PolarHBondContact O-N 3.46Å; G163-I166 PolarHBondContact O-N 3.44Å; I166-I168 VanDerWaalsContact C-N 3.33Å; I166-I168 PolarHBondContact O-N 2.83Å; I166-E169 PolarHBondContact O-N 3.12Å; I166-I170 HydrophobicContact CG2-CD1 3.57Å; I166-I170 HydrophobicContact CG2-CG1 4.38Å; I166-I170 WeakPolarHBondContact O-CB 3.29Å; I166-I170 VanDerWaalsContact O-CG1 3.23Å; I166-I170 WeakPolarHBondContact O-CG1 3.42Å; I166-I170 PolarHBondContact O-N 3.19Å
167V95.3Very high93.3Very high98 Ų98104.5 Ų104.559%0.59457%0.57SS**Hα-helixtrans-62.8-39.9179.9173.60000111.4G163 V164 Y165 A171G163-V167 WeakPolarHBondContact O-CG2 3.46Å; G163-V167 PolarHBondContact O-N 3.48Å; V164-V167 PolarHBondContact O-N 2.7Å; Y165-V167 VanDerWaalsContact C-N 3.33Å; Y165-V167 PolarHBondContact O-N 3.42Å; V167-A171 WeakPolarHBondContact O-CB 3.3Å; V167-A171 PolarHBondContact O-N 3.15Å
168I95.8Very high93.1Very high99 Ų99108.2 Ų108.251%0.50858%0.578SS.*Hα-helixtrans-65.7-45.6177.4-68.5167.4000111.5V164 Y165 I166 A171 R172V164-I168 HydrophobicContact CG1-CD1 3.83Å; V164-I168 VanDerWaalsContact O-CG1 3.31Å; V164-I168 WeakPolarHBondContact O-CG1 3.34Å; V164-I168 PolarHBondContact O-N 3.48Å; Y165-I168 PolarHBondContact O-N 3.28Å; I166-I168 VanDerWaalsContact C-N 3.33Å; I166-I168 PolarHBondContact O-N 2.83Å; I168-A171 PolarHBondContact O-N 3.16Å; I168-R172 VanDerWaalsContact O-CB 3.22Å; I168-R172 WeakPolarHBondContact O-CB 3.3Å; I168-R172 PolarHBondContact O-N 3.09Å
169E95.9Very high92.8Very high149 Ų149104.6 Ų104.670%0.69658%0.575SS**Hα-helixtrans-65.1-39.6179.8-74.6-173.717200111.9Y165 I166Y165-E169 PolarHBondContact O-N 3Å; I166-E169 PolarHBondContact O-N 3.12Å
170I95Very high92.5Very high124 Ų124106.1 Ų106.164%0.63658%0.58SS**Hα-helixtrans-66-48.7175.2-66.8169.4000110.5I166 R172 G173I166-I170 HydrophobicContact CG2-CD1 3.57Å; I166-I170 HydrophobicContact CG2-CG1 4.38Å; I166-I170 WeakPolarHBondContact O-CB 3.29Å; I166-I170 VanDerWaalsContact O-CG1 3.23Å; I166-I170 WeakPolarHBondContact O-CG1 3.42Å; I166-I170 PolarHBondContact O-N 3.19Å; I170-R172 VanDerWaalsContact C-N 3.3Å; I170-R172 PolarHBondContact O-N 3.31Å; I170-G173 PolarHBondContact O-N 2.9Å
171A92.4Very high92.4Very high65 Ų65107.8 Ų107.854%0.53758%0.58SS.*Hα-helixtrans-69.5-25.6-176.500000113.4V167 I168 G173 N174V167-A171 WeakPolarHBondContact O-CB 3.3Å; V167-A171 PolarHBondContact O-N 3.15Å; I168-A171 PolarHBondContact O-N 3.16Å; A171-G173 PolarHBondContact O-N 3.36Å; A171-N174 PolarHBondContact O-N 2.88Å
172R92.7Very high92.1Very high216 Ų216108 Ų10882%0.81559%0.589SS**THydrogen-bonded Turntrans-71.2-19.1175.7178.8176.9154.7-166.1-8.3113.2I168 I170 N174I168-R172 VanDerWaalsContact O-CB 3.22Å; I168-R172 WeakPolarHBondContact O-CB 3.3Å; I168-R172 PolarHBondContact O-N 3.09Å; I170-R172 VanDerWaalsContact C-N 3.3Å; I170-R172 PolarHBondContact O-N 3.31Å; R172-N174 PolarHBondContact O-N 2.65Å
173G83.9Confident91.6Very high69 Ų69112.9 Ų112.971%0.71161%0.613SS**THydrogen-bonded Turntrans-77.4-6.2177.400000114.7I170 A171I170-G173 PolarHBondContact O-N 2.9Å; A171-G173 PolarHBondContact O-N 3.36Å
174N61Low91.1Very high214 Ų214120.7 Ų120.7100%1.14464%0.644SS**  trans-86.20170.3-96.45.8000112.4A171 R172A171-N174 PolarHBondContact O-N 2.88Å; R172-N174 PolarHBondContact O-N 2.65Å

Retrieved 174 of 174 residues in 111.4 ms (Link to these results)

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