A0A3Q0KF38_SCHMA Loading...

MARVEL domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KF38, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, 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
1M58.9Low76.1Confident147 Ų14798.9 Ų98.972%0.72452%0.519SS*.  0124.80-120.3159.816900107L3 L67M1-L3 PolarHBondContact O-N 3.03Å; M1-L67 HydrophobicContact CE-CB 3.81Å; M1-L67 HydrophobicContact CE-CD1 3.61Å; M1-L67 HydrophobicContact CE-CD2 4.31Å; M1-L67 HydrophobicContact CE-CG 4.1Å
2P72.2Confident76.8Confident103 Ų10391.3 Ų91.367%0.66948%0.478SS*.  trans-65.5129.1173.128.2-31.8000108.8
3L72.9Confident77.6Confident127 Ų12784.3 Ų84.367%0.66544%0.442SS*.  trans-76.4134.6172.8-68.8166.9000108.9M1 A5 L64M1-L3 PolarHBondContact O-N 3.03Å; L3-A5 PolarHBondContact O-N 2.97Å; L3-A5 VanDerWaalsContact O-N 3.15Å; L3-L64 WeakPolarHBondContact CA-O 3.45Å; L3-L64 HydrophobicContact CD2-CD1 4.42Å; L3-L64 HydrophobicContact CD2-CD2 3.92Å; L3-L64 HydrophobicContact CD2-CG 3.75Å
4N77.7Confident78.4Confident34 Ų3483.1 Ų83.118%0.18244%0.44CS..  trans-81.290.1173.7-167.8-9.2000110.2E6 Y7 A8 L64 S66N4-E6 PolarHBondContact O-N 2.9Å; N4-E6 WeakPolarHBondContact OD1-CB 3.2Å; N4-E6 PolarHBondContact OD1-N 3.36Å; N4-E6 VanDerWaalsContact OD1-N 3.15Å; N4-Y7 PolarHBondContact O-N 3.29Å; N4-Y7 PolarHBondContact OD1-N 3.39Å; N4-A8 PolarHBondContact O-N 3.21Å; N4-L64 PolarHBondContact N-O 3.1Å; N4-S66 WeakPolarHBondContact CB-OG 3.35Å
5A76.9Confident79.3Confident73 Ų7379.3 Ų79.360%0.60342%0.418SS*.THydrogen-bonded Turntrans-63.9-22.7177.400000113L3L3-A5 PolarHBondContact O-N 2.97Å; L3-A5 VanDerWaalsContact O-N 3.15Å
6E79.3Confident80.1Confident144 Ų14474.5 Ų74.567%0.67339%0.392SS*.THydrogen-bonded Turntrans-69.6-44.8175.3-58.3-173.5161.900110.6N4 A8 R9 E10N4-E6 PolarHBondContact O-N 2.9Å; N4-E6 WeakPolarHBondContact OD1-CB 3.2Å; N4-E6 PolarHBondContact OD1-N 3.36Å; N4-E6 VanDerWaalsContact OD1-N 3.15Å; E6-A8 VanDerWaalsContact C-N 3.28Å; E6-A8 PolarHBondContact O-N 2.88Å; E6-R9 WeakPolarHBondContact O-CB 3.45Å; E6-R9 PolarHBondContact O-N 2.71Å; E6-E10 PolarHBondContact O-N 3.15Å
7Y79.3Confident80.8Confident5 Ų574.9 Ų74.92%0.0239%0.394CS..G310 helixtrans-58.7-40.1176.4179.1-106.3000112N4 R9 E10 R12 A13 F60 H63 L64N4-Y7 PolarHBondContact O-N 3.29Å; N4-Y7 PolarHBondContact OD1-N 3.39Å; Y7-R9 PolarHBondContact O-N 3.06Å; Y7-R9 VanDerWaalsContact O-N 3.09Å; Y7-E10 WeakPolarHBondContact O-CB 3.45Å; Y7-E10 PolarHBondContact O-N 3.35Å; Y7-R12 HydrophobicContact CE2-CB 4.28Å; Y7-R12 HydrophobicContact CE2-CG 4.44Å; Y7-A13 HydrophobicContact CD1-CB 3.95Å; Y7-A13 HydrophobicContact CE1-CB 3.6Å; Y7-A13 HydrophobicContact CE2-CB 4.39Å; Y7-A13 HydrophobicContact CG-CB 4.47Å; Y7-A13 WeakPolarHBondContact O-CB 3.48Å; Y7-F60 HydrophobicContact CE1-CD2 4.04Å; Y7-F60 HydrophobicContact CE1-CE2 4.32Å; Y7-H63 HydrophobicContact CD1-CB 3.67Å; Y7-H63 HydrophobicContact CD2-CB 3.85Å; Y7-H63 HydrophobicContact CE1-CB 3.3Å; Y7-H63 HydrophobicContact CE2-CB 3.49Å; Y7-H63 VanDerWaalsContact CE2-CB 3.49Å; Y7-H63 AromaticContact CE2-CD2 3.94Å; Y7-H63 AromaticContact CE2-CG 3.74Å; Y7-H63 HydrophobicContact CG-CB 3.92Å; Y7-H63 AromaticContact CZ-CG 3.67Å; Y7-L64 HydrophobicContact CD1-CB 4.41Å
8A73.6Confident81.5Confident53 Ų5374.7 Ų74.744%0.43839%0.393SS..G310 helixtrans-60.6-21.617800000113.7N4 E6 L64N4-A8 PolarHBondContact O-N 3.21Å; E6-A8 VanDerWaalsContact C-N 3.28Å; E6-A8 PolarHBondContact O-N 2.88Å; A8-L64 HydrophobicContact CB-CD1 4.42Å
9R77.8Confident82.1Confident225 Ų22570.9 Ų70.985%0.84937%0.373SS*.G310 helixtrans-92.9-10.3175.4-64.7173.361.2-166.8-1.8113E6 Y7E6-R9 WeakPolarHBondContact O-CB 3.45Å; E6-R9 PolarHBondContact O-N 2.71Å; Y7-R9 PolarHBondContact O-N 3.06Å; Y7-R9 VanDerWaalsContact O-N 3.09Å
10E84.2Confident82.7Confident72 Ų7271 Ų7134%0.33637%0.37SS..SBendtrans-74.5142.9177.8-67.4-175.1-166.700111.2E6 Y7 R12 A13 V14E6-E10 PolarHBondContact O-N 3.15Å; Y7-E10 WeakPolarHBondContact O-CB 3.45Å; Y7-E10 PolarHBondContact O-N 3.35Å; E10-R12 PolarHBondContact O-N 3.34Å; E10-A13 PolarHBondContact O-N 3.06Å; E10-V14 PolarHBondContact O-N 3.31Å
11L84.1Confident83.3Confident105 Ų10570.7 Ų70.755%0.5537%0.374SS..Hα-helixtrans-52.8-32.7175.7-174.363.4000112.2V14 F15 I127L11-V14 WeakPolarHBondContact O-CB 3.2Å; L11-V14 PolarHBondContact O-N 2.59Å; L11-F15 HydrophobicContact CD1-CD2 4.17Å; L11-F15 HydrophobicContact CD1-CE2 3.78Å; L11-F15 HydrophobicContact CD2-CE2 4.08Å; L11-F15 HydrophobicContact CG-CD2 3.88Å; L11-F15 HydrophobicContact CG-CE2 3.69Å; L11-F15 WeakPolarHBondContact O-CD2 3.05Å; L11-F15 PolarHBondContact O-N 3.2Å; L11-I127 HydrophobicContact CD2-CD1 3.8Å; L11-I127 HydrophobicContact CG-CD1 4.19Å
12R84.7Confident85Confident7 Ų764.9 Ų64.93%0.02635%0.345CS..Hα-helixtrans-62.6-43178.5-164.7-176.8-37-139-3.8112.9Y7 E10 V14 F15 K16 Y131 Y138Y7-R12 HydrophobicContact CE2-CB 4.28Å; Y7-R12 HydrophobicContact CE2-CG 4.44Å; E10-R12 PolarHBondContact O-N 3.34Å; R12-V14 VanDerWaalsContact C-N 3.27Å; R12-V14 PolarHBondContact O-N 2.92Å; R12-F15 PolarHBondContact O-N 3.46Å; R12-K16 WeakPolarHBondContact O-CG 3.28Å; R12-K16 PolarHBondContact O-N 3.33Å; R12-Y131 VanDerWaalsContact NH2-CB 3.31Å; R12-Y138 PolarHBondContact NH1-OH 2.92Å
13A86.6Confident86Confident1 Ų160.1 Ų60.11%0.00832%0.315CS..Hα-helixtrans-61.8-4017700000111.1Y7 E10 K16 I17 F60Y7-A13 HydrophobicContact CD1-CB 3.95Å; Y7-A13 HydrophobicContact CE1-CB 3.6Å; Y7-A13 HydrophobicContact CE2-CB 4.39Å; Y7-A13 HydrophobicContact CG-CB 4.47Å; Y7-A13 WeakPolarHBondContact O-CB 3.48Å; E10-A13 PolarHBondContact O-N 3.06Å; A13-K16 PolarHBondContact O-N 3.26Å; A13-I17 VanDerWaalsContact O-CG1 3.31Å; A13-I17 WeakPolarHBondContact O-CG1 3.26Å; A13-I17 PolarHBondContact O-N 3.34Å; A13-I17 VanDerWaalsContact O-N 3.08Å; A13-F60 HydrophobicContact CB-CE2 4.17Å
14V90Very high87.1Confident68 Ų6857 Ų5741%0.41230%0.301SS..Hα-helixtrans-60.6-46.3175.8-177.70000110.9E10 L11 R12 K16 I17 L18E10-V14 PolarHBondContact O-N 3.31Å; L11-V14 WeakPolarHBondContact O-CB 3.2Å; L11-V14 PolarHBondContact O-N 2.59Å; R12-V14 VanDerWaalsContact C-N 3.27Å; R12-V14 PolarHBondContact O-N 2.92Å; V14-K16 PolarHBondContact O-N 3.36Å; V14-I17 PolarHBondContact O-N 3.19Å; V14-L18 HydrophobicContact CG1-CD1 4.05Å; V14-L18 HydrophobicContact CG1-CG 4.43Å; V14-L18 WeakPolarHBondContact O-CG 3.33Å; V14-L18 PolarHBondContact O-N 2.87Å
15F91Very high87.8Confident25 Ų2556.8 Ų56.811%0.1131%0.307CS..Hα-helixtrans-61.7-42.8177.1-86.6-77.6000112.7L11 R12 I17 L18 E19 F120 I123 I127L11-F15 HydrophobicContact CD1-CD2 4.17Å; L11-F15 HydrophobicContact CD1-CE2 3.78Å; L11-F15 HydrophobicContact CD2-CE2 4.08Å; L11-F15 HydrophobicContact CG-CD2 3.88Å; L11-F15 HydrophobicContact CG-CE2 3.69Å; L11-F15 WeakPolarHBondContact O-CD2 3.05Å; L11-F15 PolarHBondContact O-N 3.2Å; R12-F15 PolarHBondContact O-N 3.46Å; F15-I17 VanDerWaalsContact C-N 3.32Å; F15-I17 PolarHBondContact O-N 3.23Å; F15-L18 PolarHBondContact O-N 2.87Å; F15-E19 WeakPolarHBondContact O-CB 3.49Å; F15-E19 VanDerWaalsContact O-CG 3.28Å; F15-E19 WeakPolarHBondContact O-CG 3.38Å; F15-E19 PolarHBondContact O-N 3.09Å; F15-F120 HydrophobicContact CD1-CB 4.46Å; F15-F120 HydrophobicContact CD1-CG 4.44Å; F15-F120 HydrophobicContact CE1-CD1 4.19Å; F15-F120 HydrophobicContact CE1-CG 4.43Å; F15-I123 HydrophobicContact CE1-CB 4.08Å; F15-I123 HydrophobicContact CE1-CD1 4.27Å; F15-I123 HydrophobicContact CE1-CG2 3.8Å; F15-I123 HydrophobicContact CE2-CG2 3.96Å; F15-I123 HydrophobicContact CZ-CB 4.24Å; F15-I123 HydrophobicContact CZ-CD1 4.42Å; F15-I123 HydrophobicContact CZ-CG2 3.45Å; F15-I123 VanDerWaalsContact CZ-CG2 3.45Å; F15-I127 HydrophobicContact CD2-CD1 3.79Å; F15-I127 HydrophobicContact CE2-CD1 3.7Å
16K91.7Very high88.6Confident3 Ų353.4 Ų53.41%0.01328%0.279CS..Hα-helixtrans-60.5-41175.9-63.1-54.5-172.8-170.60112.7R12 A13 V14 F20 F60 E79 I83 D124R12-K16 WeakPolarHBondContact O-CG 3.28Å; R12-K16 PolarHBondContact O-N 3.33Å; A13-K16 PolarHBondContact O-N 3.26Å; V14-K16 PolarHBondContact O-N 3.36Å; K16-F20 VanDerWaalsContact O-CB 3.3Å; K16-F20 WeakPolarHBondContact O-CB 3.49Å; K16-F20 PolarHBondContact O-N 3.36Å; K16-F60 HydrophobicContact CB-CB 4.03Å; K16-F60 HydrophobicContact CB-CD2 4.17Å; K16-E79 WeakPolarHBondContact CE-OE1 3.36Å; K16-E79 IonicContact NZ-OE1 2.68Å; K16-E79 PolarHBondContact NZ-OE1 2.69Å; K16-I83 VanDerWaalsContact NZ-CD1 3.3Å; K16-D124 WeakPolarHBondContact CE-OD2 3.3Å; K16-D124 IonicContact NZ-OD2 3.63Å; K16-D124 PolarHBondContact NZ-OD2 3.33Å
17I92.1Very high89.3Confident82 Ų8248.7 Ų48.742%0.42126%0.258SS..Hα-helixtrans-64.7-42.2176.8-66.6164.9000110.4A13 V14 F15 F20 S21 F60A13-I17 VanDerWaalsContact O-CG1 3.31Å; A13-I17 WeakPolarHBondContact O-CG1 3.26Å; A13-I17 PolarHBondContact O-N 3.34Å; A13-I17 VanDerWaalsContact O-N 3.08Å; V14-I17 PolarHBondContact O-N 3.19Å; F15-I17 VanDerWaalsContact C-N 3.32Å; F15-I17 PolarHBondContact O-N 3.23Å; I17-F20 PolarHBondContact O-N 3.21Å; I17-S21 WeakPolarHBondContact O-CB 3.3Å; I17-S21 PolarHBondContact O-N 3.18Å; I17-S21 PolarHBondContact O-OG 2.67Å; I17-F60 HydrophobicContact CD1-CE2 3.78Å; I17-F60 HydrophobicContact CD1-CZ 4.02Å; I17-F60 HydrophobicContact CG1-CD2 4.18Å; I17-F60 HydrophobicContact CG1-CE2 3.78Å; I17-F60 HydrophobicContact CG1-CZ 4.1Å
18L93.7Very high89.8Confident70 Ų7052.4 Ų52.437%0.36628%0.281SS..Hα-helixtrans-65.8-45177.2-72.2173.9000112.1V14 F15 F20 S21 I22 F120V14-L18 HydrophobicContact CG1-CD1 4.05Å; V14-L18 HydrophobicContact CG1-CG 4.43Å; V14-L18 WeakPolarHBondContact O-CG 3.33Å; V14-L18 PolarHBondContact O-N 2.87Å; F15-L18 PolarHBondContact O-N 2.87Å; L18-F20 PolarHBondContact O-N 2.66Å; L18-S21 PolarHBondContact O-N 3.34Å; L18-I22 WeakPolarHBondContact O-CG1 3.48Å; L18-I22 PolarHBondContact O-N 2.97Å; L18-F120 HydrophobicContact CB-CD2 4.07Å; L18-F120 HydrophobicContact CB-CE2 3.86Å; L18-F120 HydrophobicContact CD1-CE2 4.22Å
19E92.9Very high90.6Very high4 Ų451.1 Ų51.12%0.01927%0.268CS..Hα-helixtrans-59.7-44.7174.9-74172.9177.600111.5F15 I22 G23 F120 Y121 D124F15-E19 WeakPolarHBondContact O-CB 3.49Å; F15-E19 VanDerWaalsContact O-CG 3.28Å; F15-E19 WeakPolarHBondContact O-CG 3.38Å; F15-E19 PolarHBondContact O-N 3.09Å; E19-I22 PolarHBondContact O-N 3.19Å; E19-G23 PolarHBondContact O-N 3.46Å; E19-F120 HydrophobicContact CG-CB 4.13Å; E19-Y121 HydrophobicContact CB-CE1 4.16Å; E19-Y121 VanDerWaalsContact CD-CE1 3.41Å; E19-Y121 HydrophobicContact CG-CD1 4.04Å; E19-Y121 HydrophobicContact CG-CE1 3.85Å; E19-Y121 VanDerWaalsContact OE1-CD1 3.23Å; E19-Y121 WeakPolarHBondContact OE1-CD1 3.42Å; E19-Y121 WeakPolarHBondContact OE2-CE1 3.27Å; E19-D124 WeakPolarHBondContact OE1-CB 3.34Å
20F94.6Very high91.2Very high72 Ų7240.5 Ų40.532%0.31623%0.228SC..Hα-helixtrans-60.4-46.7174178.4-104.7000111.7K16 I17 L18 I22 G23 V24 A53 S56 L57K16-F20 VanDerWaalsContact O-CB 3.3Å; K16-F20 WeakPolarHBondContact O-CB 3.49Å; K16-F20 PolarHBondContact O-N 3.36Å; I17-F20 PolarHBondContact O-N 3.21Å; L18-F20 PolarHBondContact O-N 2.66Å; F20-I22 VanDerWaalsContact C-N 3.35Å; F20-I22 PolarHBondContact O-N 3.04Å; F20-G23 PolarHBondContact O-N 3.03Å; F20-G23 VanDerWaalsContact O-N 3.15Å; F20-V24 HydrophobicContact CD1-CG2 4.38Å; F20-V24 HydrophobicContact CE1-CG2 3.91Å; F20-V24 HydrophobicContact CE2-CG2 4.11Å; F20-V24 HydrophobicContact CZ-CG2 3.77Å; F20-V24 WeakPolarHBondContact O-CG2 3.17Å; F20-V24 PolarHBondContact O-N 3.44Å; F20-A53 HydrophobicContact CD2-CB 4.18Å; F20-A53 WeakPolarHBondContact CD2-O 3.24Å; F20-A53 HydrophobicContact CE2-CB 4.39Å; F20-S56 WeakPolarHBondContact CA-OG 3.42Å; F20-S56 PolarHBondContact N-OG 3.24Å; F20-L57 HydrophobicContact CD2-CB 3.95Å; F20-L57 HydrophobicContact CE2-CB 4.11Å; F20-L57 HydrophobicContact CE2-CD2 4.07Å; F20-L57 HydrophobicContact CE2-CG 4.47Å
21S94.4Very high91.4Very high65 Ų6541 Ų4146%0.45524%0.236SC..Hα-helixtrans-62-41.7-179.4-58.60000112I17 L18 V24 G25I17-S21 WeakPolarHBondContact O-CB 3.3Å; I17-S21 PolarHBondContact O-N 3.18Å; I17-S21 PolarHBondContact O-OG 2.67Å; L18-S21 PolarHBondContact O-N 3.34Å; S21-V24 PolarHBondContact O-N 2.86Å; S21-G25 PolarHBondContact O-N 2.79Å
22I95.1Very high91.5Very high24 Ų2441.1 Ų41.112%0.12324%0.241CC..Hα-helixtrans-68.4-39.7174.5-65.9163.1000110.9L18 E19 F20 V24 G25 L26 V116 S117 F120L18-I22 WeakPolarHBondContact O-CG1 3.48Å; L18-I22 PolarHBondContact O-N 2.97Å; E19-I22 PolarHBondContact O-N 3.19Å; F20-I22 VanDerWaalsContact C-N 3.35Å; F20-I22 PolarHBondContact O-N 3.04Å; I22-V24 VanDerWaalsContact C-N 3.32Å; I22-V24 PolarHBondContact O-N 2.69Å; I22-G25 CarbonylContact O-C 3.52Å; I22-G25 WeakPolarHBondContact O-CA 3.24Å; I22-G25 PolarHBondContact O-N 3.28Å; I22-G25 VanDerWaalsContact O-N 3.13Å; I22-L26 HydrophobicContact CG2-CD1 4.17Å; I22-L26 HydrophobicContact CG2-CG 4.4Å; I22-L26 PolarHBondContact O-N 3.41Å; I22-V116 HydrophobicContact CD1-CG1 3.74Å; I22-S117 WeakPolarHBondContact CG2-OG 3.23Å; I22-F120 HydrophobicContact CD1-CD2 3.3Å; I22-F120 HydrophobicContact CD1-CE2 3.24Å; I22-F120 HydrophobicContact CD1-CG 4.39Å; I22-F120 HydrophobicContact CD1-CZ 4.31Å
23G94.3Very high91.5Very high3 Ų341.3 Ų41.33%0.03124%0.244CC..Hα-helixtrans-57.1-44.5174.600000112.3E19 F20 L26 I27E19-G23 PolarHBondContact O-N 3.46Å; F20-G23 PolarHBondContact O-N 3.03Å; F20-G23 VanDerWaalsContact O-N 3.15Å; G23-L26 WeakPolarHBondContact O-CB 3.33Å; G23-L26 PolarHBondContact O-N 2.83Å; G23-I27 VanDerWaalsContact O-CG1 3.3Å; G23-I27 WeakPolarHBondContact O-CG1 3.34Å; G23-I27 PolarHBondContact O-N 3.1Å
24V95Very high91.3Very high62 Ų6247.2 Ų47.238%0.37628%0.276SS..Hα-helixtrans-63.1-44.7173.4174.90000111.1F20 S21 I22 L26 I27 V28F20-V24 HydrophobicContact CD1-CG2 4.38Å; F20-V24 HydrophobicContact CE1-CG2 3.91Å; F20-V24 HydrophobicContact CE2-CG2 4.11Å; F20-V24 HydrophobicContact CZ-CG2 3.77Å; F20-V24 WeakPolarHBondContact O-CG2 3.17Å; F20-V24 PolarHBondContact O-N 3.44Å; S21-V24 PolarHBondContact O-N 2.86Å; I22-V24 VanDerWaalsContact C-N 3.32Å; I22-V24 PolarHBondContact O-N 2.69Å; V24-L26 VanDerWaalsContact C-N 3.31Å; V24-L26 PolarHBondContact O-N 3.15Å; V24-I27 PolarHBondContact O-N 3.18Å; V24-V28 WeakPolarHBondContact O-CG2 3.48Å; V24-V28 PolarHBondContact O-N 3.41Å
25G92.6Very high90.7Very high29 Ų2952.2 Ų52.230%0.29929%0.287SS..Hα-helixtrans-58.6-40.2175.600000113.3S21 I22 V28 S29S21-G25 PolarHBondContact O-N 2.79Å; I22-G25 CarbonylContact O-C 3.52Å; I22-G25 WeakPolarHBondContact O-CA 3.24Å; I22-G25 PolarHBondContact O-N 3.28Å; I22-G25 VanDerWaalsContact O-N 3.13Å; G25-V28 PolarHBondContact O-N 3.45Å; G25-S29 VanDerWaalsContact O-CB 3.29Å; G25-S29 WeakPolarHBondContact O-CB 3.31Å; G25-S29 PolarHBondContact O-N 2.91Å
26L93.7Very high90.3Very high3 Ų351.4 Ų51.42%0.01628%0.284CS..Hα-helixtrans-63.2-46.8174.3-82.6167.3000111.8I22 G23 V24 V28 S29 I30 A49 L113 F114I22-L26 HydrophobicContact CG2-CD1 4.17Å; I22-L26 HydrophobicContact CG2-CG 4.4Å; I22-L26 PolarHBondContact O-N 3.41Å; G23-L26 WeakPolarHBondContact O-CB 3.33Å; G23-L26 PolarHBondContact O-N 2.83Å; V24-L26 VanDerWaalsContact C-N 3.31Å; V24-L26 PolarHBondContact O-N 3.15Å; L26-V28 VanDerWaalsContact C-N 3.32Å; L26-V28 PolarHBondContact O-N 3.32Å; L26-S29 PolarHBondContact O-N 3.15Å; L26-I30 WeakPolarHBondContact O-CD1 3.38Å; L26-I30 VanDerWaalsContact O-CG1 3.23Å; L26-I30 WeakPolarHBondContact O-CG1 3.39Å; L26-I30 PolarHBondContact O-N 2.92Å; L26-A49 HydrophobicContact CB-CB 3.82Å; L26-L113 HydrophobicContact CD2-CB 3.44Å; L26-L113 VanDerWaalsContact CD2-CB 3.44Å; L26-L113 HydrophobicContact CD2-CD1 4.26Å; L26-L113 HydrophobicContact CG-CB 3.83Å; L26-L113 HydrophobicContact CG-CD1 4.44Å; L26-F114 HydrophobicContact CD1-CD1 3.64Å; L26-F114 HydrophobicContact CD1-CE1 3.58Å; L26-F114 HydrophobicContact CD1-CG 4.24Å; L26-F114 HydrophobicContact CD1-CZ 4.12Å; L26-F114 HydrophobicContact CD2-CD1 4.06Å; L26-F114 HydrophobicContact CD2-CD2 3.67Å; L26-F114 HydrophobicContact CD2-CE1 4.06Å; L26-F114 HydrophobicContact CD2-CE2 3.64Å; L26-F114 HydrophobicContact CD2-CG 3.87Å; L26-F114 HydrophobicContact CD2-CZ 3.84Å; L26-F114 HydrophobicContact CG-CE1 4.39Å; L26-F114 HydrophobicContact CG-CZ 4.47Å
27I93.4Very high89.7Confident45 Ų4559.6 Ų59.623%0.23131%0.314CS..Hα-helixtrans-57.4-48.4177.7-67.2163.4000110G23 V24 I30 V31 A49 A53G23-I27 VanDerWaalsContact O-CG1 3.3Å; G23-I27 WeakPolarHBondContact O-CG1 3.34Å; G23-I27 PolarHBondContact O-N 3.1Å; V24-I27 PolarHBondContact O-N 3.18Å; I27-I30 PolarHBondContact O-N 2.89Å; I27-V31 HydrophobicContact CG2-CG2 4.22Å; I27-V31 WeakPolarHBondContact O-CB 3.04Å; I27-V31 VanDerWaalsContact O-CG2 3.22Å; I27-V31 WeakPolarHBondContact O-CG2 3.22Å; I27-V31 PolarHBondContact O-N 3.5Å; I27-A49 HydrophobicContact CG1-CB 3.84Å; I27-A53 HydrophobicContact CD1-CB 4.44Å
28V91.4Very high89Confident82 Ų8263.6 Ų63.650%0.49734%0.335SS..Hα-helixtrans-62.4-47.1178.3174.90000111.2V24 G25 L26 I30 V31 V32V24-V28 WeakPolarHBondContact O-CG2 3.48Å; V24-V28 PolarHBondContact O-N 3.41Å; G25-V28 PolarHBondContact O-N 3.45Å; L26-V28 VanDerWaalsContact C-N 3.32Å; L26-V28 PolarHBondContact O-N 3.32Å; V28-I30 VanDerWaalsContact C-N 3.26Å; V28-I30 PolarHBondContact O-N 3.45Å; V28-V31 PolarHBondContact O-N 3.32Å; V28-V32 HydrophobicContact CG1-CG2 4.06Å; V28-V32 WeakPolarHBondContact O-CB 3.42Å; V28-V32 VanDerWaalsContact O-CG2 3.27Å; V28-V32 WeakPolarHBondContact O-CG2 3.46Å; V28-V32 PolarHBondContact O-N 3.45Å
29S88.8Confident88.6Confident26 Ų2663.2 Ų63.218%0.18234%0.336CS..Hα-helixtrans-58.1-38.7179.8179.70000112.4G25 L26 A33G25-S29 VanDerWaalsContact O-CB 3.29Å; G25-S29 WeakPolarHBondContact O-CB 3.31Å; G25-S29 PolarHBondContact O-N 2.91Å; L26-S29 PolarHBondContact O-N 3.15Å; S29-A33 WeakPolarHBondContact O-CB 3.5Å
30I90.3Very high88.4Confident2 Ų268.2 Ų68.21%0.0137%0.366CS..Hα-helixtrans-77.9-45.4-179.2-62.2159.2000111.2L26 I27 V28 V32 A33 Y36 L45 T46 A49 F114L26-I30 WeakPolarHBondContact O-CD1 3.38Å; L26-I30 VanDerWaalsContact O-CG1 3.23Å; L26-I30 WeakPolarHBondContact O-CG1 3.39Å; L26-I30 PolarHBondContact O-N 2.92Å; I27-I30 PolarHBondContact O-N 2.89Å; V28-I30 VanDerWaalsContact C-N 3.26Å; V28-I30 PolarHBondContact O-N 3.45Å; I30-V32 PolarHBondContact O-N 2.96Å; I30-A33 PolarHBondContact O-N 3.41Å; I30-Y36 HydrophobicContact CB-CD2 4.3Å; I30-Y36 HydrophobicContact CG1-CD2 4.42Å; I30-Y36 HydrophobicContact CG2-CD2 3.92Å; I30-Y36 HydrophobicContact CG2-CG 3.99Å; I30-Y36 WeakPolarHBondContact O-CB 3.46Å; I30-L45 HydrophobicContact CD1-CB 3.68Å; I30-L45 HydrophobicContact CG1-CB 4.4Å; I30-T46 WeakPolarHBondContact CG2-OG1 3.49Å; I30-A49 HydrophobicContact CD1-CB 4.48Å; I30-F114 HydrophobicContact CD1-CE2 4.14Å; I30-F114 HydrophobicContact CD1-CZ 4.12Å
31V88.3Confident88Confident83 Ų8366.1 Ų66.150%0.50336%0.362SS..Hα-helixtrans-67.3-37.3-176170.20000112.2I27 V28 A33I27-V31 HydrophobicContact CG2-CG2 4.22Å; I27-V31 WeakPolarHBondContact O-CB 3.04Å; I27-V31 VanDerWaalsContact O-CG2 3.22Å; I27-V31 WeakPolarHBondContact O-CG2 3.22Å; I27-V31 PolarHBondContact O-N 3.5Å; V28-V31 PolarHBondContact O-N 3.32Å; V31-A33 VanDerWaalsContact C-N 3.31Å
32V87.1Confident87.8Confident107 Ų10763.1 Ų63.165%0.64834%0.341SS*.Hα-helixtrans-74.9-23.2-179.9174.10000111.9V28 I30 D34V28-V32 HydrophobicContact CG1-CG2 4.06Å; V28-V32 WeakPolarHBondContact O-CB 3.42Å; V28-V32 VanDerWaalsContact O-CG2 3.27Å; V28-V32 WeakPolarHBondContact O-CG2 3.46Å; V28-V32 PolarHBondContact O-N 3.45Å; I30-V32 PolarHBondContact O-N 2.96Å; V32-D34 PolarHBondContact O-N 3.44Å
33A85.3Confident87.5Confident11 Ų1165 Ų659%0.09136%0.36CS..  trans-81.6116.8-175.900000112.5S29 I30 V31 R35 Y36 R37 A106S29-A33 WeakPolarHBondContact O-CB 3.5Å; I30-A33 PolarHBondContact O-N 3.41Å; V31-A33 VanDerWaalsContact C-N 3.31Å; A33-R35 PolarHBondContact O-N 2.87Å; A33-Y36 HydrophobicContact CB-CD2 3.77Å; A33-Y36 HydrophobicContact CB-CE2 4.46Å; A33-Y36 PolarHBondContact O-N 3.43Å; A33-R37 PolarHBondContact O-N 3.33Å; A33-A106 HydrophobicContact CB-CB 3.48Å; A33-A106 VanDerWaalsContact CB-CB 3.48Å
34D81.2Confident87.3Confident126 Ų12670 Ų7067%0.67438%0.381SS*.THydrogen-bonded Turntrans-55.8-31.1-179.6-69.6-36.2000113.8V32 Y36 R37V32-D34 PolarHBondContact O-N 3.44Å; D34-Y36 PolarHBondContact O-N 3Å; D34-R37 PolarHBondContact O-N 3Å; D34-R37 IonicContact OD1-NH1 3.51Å
35R78.7Confident87.2Confident173 Ų17367 Ų6765%0.65336%0.364SS*.THydrogen-bonded Turntrans-62-26.9176.3-75.8-68-170.8-144.51.6113.7A33 T39A33-R35 PolarHBondContact O-N 2.87Å; R35-T39 WeakPolarHBondContact O-CG2 3.23Å; R35-T39 PolarHBondContact O-OG1 3.27Å
36Y82.4Confident87.2Confident8 Ų867.3 Ų67.33%0.03136%0.36CS..THydrogen-bonded Turntrans-98.9-19.2-176.2-67.3-47.1000113.9I30 A33 D34 I38 T39 L45 T97 P107 S110I30-Y36 HydrophobicContact CB-CD2 4.3Å; I30-Y36 HydrophobicContact CG1-CD2 4.42Å; I30-Y36 HydrophobicContact CG2-CD2 3.92Å; I30-Y36 HydrophobicContact CG2-CG 3.99Å; I30-Y36 WeakPolarHBondContact O-CB 3.46Å; A33-Y36 HydrophobicContact CB-CD2 3.77Å; A33-Y36 HydrophobicContact CB-CE2 4.46Å; A33-Y36 PolarHBondContact O-N 3.43Å; D34-Y36 PolarHBondContact O-N 3Å; Y36-I38 VanDerWaalsContact C-N 3.26Å; Y36-I38 PolarHBondContact O-N 3.38Å; Y36-I38 VanDerWaalsContact O-N 3.1Å; Y36-T39 PolarHBondContact O-N 3.25Å; Y36-T39 PolarHBondContact O-OG1 3.28Å; Y36-L45 HydrophobicContact CD1-CD1 4.2Å; Y36-L45 HydrophobicContact CE1-CD1 3.69Å; Y36-T97 WeakPolarHBondContact OH-CG2 3.31Å; Y36-P107 HydrophobicContact CE2-CG 4.42Å; Y36-P107 WeakPolarHBondContact OH-CA 3.47Å; Y36-P107 WeakPolarHBondContact OH-CB 3.15Å; Y36-S110 PolarHBondContact OH-OG 3.31Å; Y36-S110 VanDerWaalsContact OH-OG 3.04Å
37R77.4Confident87.2Confident175 Ų17572.9 Ų72.966%0.6638%0.384SS*.THydrogen-bonded Turntrans-58.4-31.5-169.8-69.818075.4176.74.7115.1A33 D34A33-R37 PolarHBondContact O-N 3.33Å; D34-R37 PolarHBondContact O-N 3Å; D34-R37 IonicContact OD1-NH1 3.51Å
38I77.7Confident87.3Confident166 Ų16672.4 Ų72.485%0.85138%0.38SS*.THydrogen-bonded Turntrans-123.87.1-174.3-40.6177.7000111.2Y36Y36-I38 VanDerWaalsContact C-N 3.26Å; Y36-I38 PolarHBondContact O-N 3.38Å; Y36-I38 VanDerWaalsContact O-N 3.1Å
39T87Confident87.4Confident62 Ų6268.6 Ų68.638%0.3836%0.357SS..  trans-97.2140.9-178.961.90000110.8R35 Y36 A41 G42 A43R35-T39 WeakPolarHBondContact O-CG2 3.23Å; R35-T39 PolarHBondContact O-OG1 3.27Å; Y36-T39 PolarHBondContact O-N 3.25Å; Y36-T39 PolarHBondContact O-OG1 3.28Å; T39-A41 PolarHBondContact O-N 3.31Å; T39-G42 PolarHBondContact O-N 3.49Å; T39-G42 PolarHBondContact OG1-N 2.74Å; T39-G42 VanDerWaalsContact OG1-N 3.17Å; T39-A43 PolarHBondContact O-N 2.95Å; T39-A43 VanDerWaalsContact O-N 3.14Å
40V87.3Confident87.7Confident109 Ų10971.1 Ų71.166%0.66137%0.368SS*.Hα-helixtrans-56.1-38.6172.9175.20000110.3A43 F44V40-A43 PolarHBondContact O-N 3.37Å; V40-F44 HydrophobicContact CG1-CD2 3.66Å; V40-F44 HydrophobicContact CG1-CE2 3.45Å; V40-F44 VanDerWaalsContact CG1-CE2 3.45Å; V40-F44 VanDerWaalsContact O-CD2 3.22Å; V40-F44 WeakPolarHBondContact O-CD2 3.12Å; V40-F44 PolarHBondContact O-N 2.9Å
41A87.5Confident87.9Confident27 Ų2773 Ų7322%0.22338%0.38CS..Hα-helixtrans-58.5-48.1174.100000112.1T39 A43 F44 L45 I96 T100T39-A41 PolarHBondContact O-N 3.31Å; A41-A43 VanDerWaalsContact C-N 3.31Å; A41-A43 PolarHBondContact O-N 2.96Å; A41-F44 PolarHBondContact O-N 2.9Å; A41-L45 WeakPolarHBondContact O-CG 3.09Å; A41-L45 PolarHBondContact O-N 3.26Å; A41-I96 HydrophobicContact CB-CG2 4.27Å; A41-T100 HydrophobicContact CB-CG2 4.3Å
42G89.1Confident88.2Confident2 Ų269.2 Ų69.22%0.02136%0.358CS..Hα-helixtrans-55.6-45.7176.100000112.5T39 F44 L45 T46T39-G42 PolarHBondContact O-N 3.49Å; T39-G42 PolarHBondContact OG1-N 2.74Å; T39-G42 VanDerWaalsContact OG1-N 3.17Å; G42-F44 PolarHBondContact O-N 3.38Å; G42-L45 PolarHBondContact O-N 3.37Å; G42-T46 PolarHBondContact O-N 3.02Å; G42-T46 PolarHBondContact O-OG1 3.29Å; G42-T46 VanDerWaalsContact O-OG1 3.06Å
43A89.5Confident88.5Confident64 Ų6464.4 Ų64.453%0.52933%0.329SS..Hα-helixtrans-60.8-44.3176.800000112.9T39 V40 A41 T46 F47T39-A43 PolarHBondContact O-N 2.95Å; T39-A43 VanDerWaalsContact O-N 3.14Å; V40-A43 PolarHBondContact O-N 3.37Å; A41-A43 VanDerWaalsContact C-N 3.31Å; A41-A43 PolarHBondContact O-N 2.96Å; A43-T46 PolarHBondContact O-N 2.94Å; A43-F47 WeakPolarHBondContact O-CB 3.33Å; A43-F47 PolarHBondContact O-N 3.43Å
44F90.7Very high89Confident108 Ų10868.6 Ų68.647%0.47435%0.35SS..Hα-helixtrans-62.6-42.3175.6-84.9-69.6000112.5V40 A41 G42 F47 F48V40-F44 HydrophobicContact CG1-CD2 3.66Å; V40-F44 HydrophobicContact CG1-CE2 3.45Å; V40-F44 VanDerWaalsContact CG1-CE2 3.45Å; V40-F44 VanDerWaalsContact O-CD2 3.22Å; V40-F44 WeakPolarHBondContact O-CD2 3.12Å; V40-F44 PolarHBondContact O-N 2.9Å; A41-F44 PolarHBondContact O-N 2.9Å; G42-F44 PolarHBondContact O-N 3.38Å; F44-F47 WeakPolarHBondContact O-CB 3.32Å; F44-F47 PolarHBondContact O-N 2.88Å; F44-F48 HydrophobicContact CD1-CZ 4.27Å; F44-F48 WeakPolarHBondContact O-CD2 3.24Å; F44-F48 VanDerWaalsContact O-CG 3.24Å; F44-F48 WeakPolarHBondContact O-CG 3.16Å; F44-F48 PolarHBondContact O-N 2.95Å
45L92.9Very high89.6Confident0 Ų064 Ų640%033%0.326CS..Hα-helixtrans-65.5-43179-65.4170.2000111.5I30 Y36 A41 G42 F47 F48 A49 A93 I96 T97 F114I30-L45 HydrophobicContact CD1-CB 3.68Å; I30-L45 HydrophobicContact CG1-CB 4.4Å; Y36-L45 HydrophobicContact CD1-CD1 4.2Å; Y36-L45 HydrophobicContact CE1-CD1 3.69Å; A41-L45 WeakPolarHBondContact O-CG 3.09Å; A41-L45 PolarHBondContact O-N 3.26Å; G42-L45 PolarHBondContact O-N 3.37Å; L45-F47 VanDerWaalsContact C-N 3.32Å; L45-F47 PolarHBondContact O-N 3.45Å; L45-F48 PolarHBondContact O-N 2.86Å; L45-A49 WeakPolarHBondContact O-CB 3.35Å; L45-A49 PolarHBondContact O-N 3.36Å; L45-A93 HydrophobicContact CD2-CB 3.67Å; L45-I96 HydrophobicContact CD1-CG2 4.45Å; L45-I96 HydrophobicContact CD2-CB 4.27Å; L45-I96 HydrophobicContact CD2-CG2 4.19Å; L45-I96 HydrophobicContact CG-CG2 4.43Å; L45-T97 HydrophobicContact CD1-CG2 3.39Å; L45-T97 HydrophobicContact CD2-CG2 3.67Å; L45-T97 HydrophobicContact CG-CG2 4.14Å; L45-F114 HydrophobicContact CB-CE2 4.34Å; L45-F114 HydrophobicContact CB-CZ 4.39Å; L45-F114 HydrophobicContact CD2-CE2 3.82Å; L45-F114 HydrophobicContact CD2-CZ 4.21Å
46T92Very high90.2Very high35 Ų3555.8 Ų55.822%0.21530%0.295CS..Hα-helixtrans-62.7-41174-54.20000111I30 G42 A43 A49 L50I30-T46 WeakPolarHBondContact CG2-OG1 3.49Å; G42-T46 PolarHBondContact O-N 3.02Å; G42-T46 PolarHBondContact O-OG1 3.29Å; G42-T46 VanDerWaalsContact O-OG1 3.06Å; A43-T46 PolarHBondContact O-N 2.94Å; T46-A49 PolarHBondContact O-N 3.05Å; T46-L50 VanDerWaalsContact O-CB 3.26Å; T46-L50 WeakPolarHBondContact O-CB 3.33Å; T46-L50 PolarHBondContact O-N 2.72Å
47F93.5Very high90.7Very high120 Ų12058.7 Ų58.753%0.52631%0.311SS..Hα-helixtrans-60.4-46.9175.9176.9-103.7000111.7A43 F44 L45 A49 L50 V51A43-F47 WeakPolarHBondContact O-CB 3.33Å; A43-F47 PolarHBondContact O-N 3.43Å; F44-F47 WeakPolarHBondContact O-CB 3.32Å; F44-F47 PolarHBondContact O-N 2.88Å; L45-F47 VanDerWaalsContact C-N 3.32Å; L45-F47 PolarHBondContact O-N 3.45Å; F47-A49 PolarHBondContact O-N 2.95Å; F47-L50 PolarHBondContact O-N 2.71Å; F47-V51 HydrophobicContact CD1-CG2 4.37Å; F47-V51 HydrophobicContact CD2-CG2 4.27Å; F47-V51 HydrophobicContact CE1-CG2 3.96Å; F47-V51 HydrophobicContact CE2-CG2 3.85Å; F47-V51 HydrophobicContact CZ-CG2 3.67Å; F47-V51 WeakPolarHBondContact O-CG2 3.31Å; F47-V51 PolarHBondContact O-N 3.19Å
48F94.3Very high91.4Very high34 Ų3456.1 Ų56.115%0.14931%0.305CS..Hα-helixtrans-62.6-42.1176.9-62.9-22.2000112.4F44 L45 L50 G52 L89 I92 A93F44-F48 HydrophobicContact CD1-CZ 4.27Å; F44-F48 WeakPolarHBondContact O-CD2 3.24Å; F44-F48 VanDerWaalsContact O-CG 3.24Å; F44-F48 WeakPolarHBondContact O-CG 3.16Å; F44-F48 PolarHBondContact O-N 2.95Å; L45-F48 PolarHBondContact O-N 2.86Å; F48-L50 VanDerWaalsContact C-N 3.34Å; F48-L50 PolarHBondContact O-N 2.92Å; F48-G52 PolarHBondContact O-N 3.43Å; F48-L89 HydrophobicContact CD1-CB 4.46Å; F48-L89 HydrophobicContact CD1-CD1 4.23Å; F48-L89 HydrophobicContact CD1-CD2 3.98Å; F48-L89 HydrophobicContact CD1-CG 4.46Å; F48-L89 HydrophobicContact CE1-CD2 3.71Å; F48-L89 HydrophobicContact CG-CB 4.38Å; F48-L89 HydrophobicContact CZ-CD2 4.02Å; F48-I92 HydrophobicContact CE2-CG2 4.49Å; F48-A93 HydrophobicContact CD2-CB 3.97Å
49A94.6Very high91.9Very high3 Ų348.7 Ų48.73%0.02527%0.266CS..Hα-helixtrans-63.5-40.1176.100000112.1L26 I27 I30 L45 T46 F47 G52 A53 F114L26-A49 HydrophobicContact CB-CB 3.82Å; I27-A49 HydrophobicContact CG1-CB 3.84Å; I30-A49 HydrophobicContact CD1-CB 4.48Å; L45-A49 WeakPolarHBondContact O-CB 3.35Å; L45-A49 PolarHBondContact O-N 3.36Å; T46-A49 PolarHBondContact O-N 3.05Å; F47-A49 PolarHBondContact O-N 2.95Å; A49-G52 PolarHBondContact O-N 2.94Å; A49-A53 WeakPolarHBondContact O-CB 3.32Å; A49-A53 PolarHBondContact O-N 3.04Å; A49-F114 HydrophobicContact CB-CZ 4.46Å
50L95Very high92.1Very high79 Ų7947.7 Ų47.741%0.41426%0.256SS..Hα-helixtrans-69.7-43.6179.2-170142.8000112T46 F47 F48 G52 A53 L54T46-L50 VanDerWaalsContact O-CB 3.26Å; T46-L50 WeakPolarHBondContact O-CB 3.33Å; T46-L50 PolarHBondContact O-N 2.72Å; F47-L50 PolarHBondContact O-N 2.71Å; F48-L50 VanDerWaalsContact C-N 3.34Å; F48-L50 PolarHBondContact O-N 2.92Å; L50-G52 VanDerWaalsContact C-N 3.32Å; L50-G52 PolarHBondContact O-N 3.34Å; L50-A53 PolarHBondContact O-N 3.49Å; L50-L54 HydrophobicContact CD2-CD1 3.5Å; L50-L54 HydrophobicContact CD2-CG 4.18Å; L50-L54 HydrophobicContact CG-CD1 4.32Å; L50-L54 WeakPolarHBondContact O-CB 3.3Å; L50-L54 VanDerWaalsContact O-CG 3.31Å; L50-L54 WeakPolarHBondContact O-CG 3.34Å; L50-L54 PolarHBondContact O-N 3.39Å
51V95.2Very high92.1Very high41 Ų4146.1 Ų46.125%0.24825%0.247CC..Hα-helixtrans-59.9-44.5173.2170.50000110.6F47 T55F47-V51 HydrophobicContact CD1-CG2 4.37Å; F47-V51 HydrophobicContact CD2-CG2 4.27Å; F47-V51 HydrophobicContact CE1-CG2 3.96Å; F47-V51 HydrophobicContact CE2-CG2 3.85Å; F47-V51 HydrophobicContact CZ-CG2 3.67Å; F47-V51 WeakPolarHBondContact O-CG2 3.31Å; F47-V51 PolarHBondContact O-N 3.19Å; V51-T55 VanDerWaalsContact O-CB 3.24Å; V51-T55 WeakPolarHBondContact O-CB 3.4Å; V51-T55 PolarHBondContact O-N 3.42Å; V51-T55 PolarHBondContact O-OG1 3.11Å
52G93.7Very high92Very high4 Ų445 Ų454%0.04124%0.238CC..Hα-helixtrans-60-51.6176.400000112.8F48 A49 L50 L54 T55 S56 Y121F48-G52 PolarHBondContact O-N 3.43Å; A49-G52 PolarHBondContact O-N 2.94Å; L50-G52 VanDerWaalsContact C-N 3.32Å; L50-G52 PolarHBondContact O-N 3.34Å; G52-L54 PolarHBondContact O-N 2.93Å; G52-T55 PolarHBondContact O-N 2.87Å; G52-S56 PolarHBondContact O-N 2.96Å; G52-S56 PolarHBondContact O-OG 2.91Å; G52-Y121 VanDerWaalsContact CA-OH 3.32Å; G52-Y121 WeakPolarHBondContact CA-OH 3.35Å
53A94.6Very high91.8Very high5 Ų545.3 Ų45.34%0.04124%0.239CC..Hα-helixtrans-62.6-42.1179.500000112.6F20 I27 A49 L50 T55 S56 L57F20-A53 HydrophobicContact CD2-CB 4.18Å; F20-A53 WeakPolarHBondContact CD2-O 3.24Å; F20-A53 HydrophobicContact CE2-CB 4.39Å; I27-A53 HydrophobicContact CD1-CB 4.44Å; A49-A53 WeakPolarHBondContact O-CB 3.32Å; A49-A53 PolarHBondContact O-N 3.04Å; L50-A53 PolarHBondContact O-N 3.49Å; A53-T55 VanDerWaalsContact C-N 3.35Å; A53-S56 PolarHBondContact O-OG 2.92Å; A53-L57 VanDerWaalsContact O-CB 3.24Å; A53-L57 WeakPolarHBondContact O-CB 3.24Å; A53-L57 PolarHBondContact O-N 3.09Å
54L95.1Very high91.5Very high100 Ų10044.1 Ų44.152%0.52422%0.223SC..Hα-helixtrans-67.8-36.9176.6-71.9-177.3000111.8L50 G52 F58L50-L54 HydrophobicContact CD2-CD1 3.5Å; L50-L54 HydrophobicContact CD2-CG 4.18Å; L50-L54 HydrophobicContact CG-CD1 4.32Å; L50-L54 WeakPolarHBondContact O-CB 3.3Å; L50-L54 VanDerWaalsContact O-CG 3.31Å; L50-L54 WeakPolarHBondContact O-CG 3.34Å; L50-L54 PolarHBondContact O-N 3.39Å; G52-L54 PolarHBondContact O-N 2.93Å; L54-F58 WeakPolarHBondContact O-CB 3.44Å; L54-F58 PolarHBondContact O-N 3.41Å
55T92.8Very high91.1Very high28 Ų2839.7 Ų39.717%0.17221%0.205CC..Hα-helixtrans-65.6-47.2178.1-59.80000111.1V51 G52 A53 F58 F59V51-T55 VanDerWaalsContact O-CB 3.24Å; V51-T55 WeakPolarHBondContact O-CB 3.4Å; V51-T55 PolarHBondContact O-N 3.42Å; V51-T55 PolarHBondContact O-OG1 3.11Å; G52-T55 PolarHBondContact O-N 2.87Å; A53-T55 VanDerWaalsContact C-N 3.35Å; T55-F58 PolarHBondContact O-N 3.14Å; T55-F59 HydrophobicContact CG2-CD2 3.75Å; T55-F59 HydrophobicContact CG2-CE2 3.63Å; T55-F59 VanDerWaalsContact O-CD2 3.23Å; T55-F59 WeakPolarHBondContact O-CD2 3.42Å; T55-F59 PolarHBondContact O-N 3.44Å
56S92.4Very high90Very high2 Ų241.1 Ų41.11%0.01422%0.216CC..Hα-helixtrans-64.4-42.417860.50000111.7F20 G52 A53 F60F20-S56 WeakPolarHBondContact CA-OG 3.42Å; F20-S56 PolarHBondContact N-OG 3.24Å; G52-S56 PolarHBondContact O-N 2.96Å; G52-S56 PolarHBondContact O-OG 2.91Å; A53-S56 PolarHBondContact O-OG 2.92Å; S56-F60 VanDerWaalsContact O-CB 3.24Å; S56-F60 WeakPolarHBondContact O-CB 3.3Å; S56-F60 PolarHBondContact O-N 2.67Å
57L92.8Very high88.9Confident68 Ų6842.1 Ų42.136%0.35622%0.219SC..Hα-helixtrans-62.7-45175.2-178.162000112.1F20 A53 F60 V61F20-L57 HydrophobicContact CD2-CB 3.95Å; F20-L57 HydrophobicContact CE2-CB 4.11Å; F20-L57 HydrophobicContact CE2-CD2 4.07Å; F20-L57 HydrophobicContact CE2-CG 4.47Å; A53-L57 VanDerWaalsContact O-CB 3.24Å; A53-L57 WeakPolarHBondContact O-CB 3.24Å; A53-L57 PolarHBondContact O-N 3.09Å; L57-F60 PolarHBondContact O-N 2.91Å; L57-V61 HydrophobicContact CD1-CG2 4.24Å; L57-V61 WeakPolarHBondContact O-CG2 3.32Å; L57-V61 PolarHBondContact O-N 3.24Å
58F91.5Very high87.6Confident122 Ų12236.7 Ų36.754%0.53520%0.196SC..Hα-helixtrans-59.1-52.3179.3174.6-100.1000111L54 T55 F60 V61 V62L54-F58 WeakPolarHBondContact O-CB 3.44Å; L54-F58 PolarHBondContact O-N 3.41Å; T55-F58 PolarHBondContact O-N 3.14Å; F58-F60 VanDerWaalsContact C-N 3.34Å; F58-F60 PolarHBondContact O-N 2.94Å; F58-V61 PolarHBondContact O-N 3.45Å; F58-V62 HydrophobicContact CD1-CG2 4.34Å; F58-V62 HydrophobicContact CD2-CG2 4.38Å; F58-V62 HydrophobicContact CE1-CG2 3.96Å; F58-V62 HydrophobicContact CE2-CG2 4.01Å; F58-V62 HydrophobicContact CZ-CG2 3.78Å; F58-V62 VanDerWaalsContact O-CG2 3.3Å; F58-V62 WeakPolarHBondContact O-CG2 3.41Å; F58-V62 PolarHBondContact O-N 3.47Å
59F89.5Confident86Confident9 Ų941.2 Ų41.24%0.03921%0.212CC..Hα-helixtrans-65.8-37.8178.8-74.7-63.5000112T55 V61 V62 H63 E79T55-F59 HydrophobicContact CG2-CD2 3.75Å; T55-F59 HydrophobicContact CG2-CE2 3.63Å; T55-F59 VanDerWaalsContact O-CD2 3.23Å; T55-F59 WeakPolarHBondContact O-CD2 3.42Å; T55-F59 PolarHBondContact O-N 3.44Å; F59-V61 VanDerWaalsContact C-N 3.35Å; F59-V61 PolarHBondContact O-N 2.82Å; F59-V62 PolarHBondContact O-N 2.97Å; F59-H63 PolarHBondContact O-N 3.37Å; F59-H63 PolarHBondContact O-ND1 3.24Å; F59-E79 HydrophobicContact CD1-CB 4.02Å; F59-E79 HydrophobicContact CD1-CG 3.84Å; F59-E79 HydrophobicContact CD2-CG 4.06Å; F59-E79 HydrophobicContact CE1-CB 3.63Å; F59-E79 HydrophobicContact CE1-CG 3.9Å; F59-E79 HydrophobicContact CE2-CB 4.37Å; F59-E79 HydrophobicContact CE2-CG 4.12Å; F59-E79 HydrophobicContact CG-CG 3.94Å; F59-E79 HydrophobicContact CZ-CB 3.84Å; F59-E79 HydrophobicContact CZ-CG 4.06Å
60F89.2Confident84.7Confident41 Ų4148.7 Ų48.718%0.1824%0.244CC..Hα-helixtrans-57.1-48.1174.2179.2-105.3000111.7Y7 A13 K16 I17 S56 L57 F58 H63 L64Y7-F60 HydrophobicContact CE1-CD2 4.04Å; Y7-F60 HydrophobicContact CE1-CE2 4.32Å; A13-F60 HydrophobicContact CB-CE2 4.17Å; K16-F60 HydrophobicContact CB-CB 4.03Å; K16-F60 HydrophobicContact CB-CD2 4.17Å; I17-F60 HydrophobicContact CD1-CE2 3.78Å; I17-F60 HydrophobicContact CD1-CZ 4.02Å; I17-F60 HydrophobicContact CG1-CD2 4.18Å; I17-F60 HydrophobicContact CG1-CE2 3.78Å; I17-F60 HydrophobicContact CG1-CZ 4.1Å; S56-F60 VanDerWaalsContact O-CB 3.24Å; S56-F60 WeakPolarHBondContact O-CB 3.3Å; S56-F60 PolarHBondContact O-N 2.67Å; L57-F60 PolarHBondContact O-N 2.91Å; F58-F60 VanDerWaalsContact C-N 3.34Å; F58-F60 PolarHBondContact O-N 2.94Å; F60-H63 PolarHBondContact O-N 2.68Å; F60-L64 HydrophobicContact CE1-CD2 3.89Å; F60-L64 HydrophobicContact CZ-CD2 4.09Å; F60-L64 WeakPolarHBondContact O-CB 3.47Å; F60-L64 PolarHBondContact O-N 2.85Å
61V88.6Confident83.3Confident76 Ų7647.8 Ų47.846%0.46124%0.239SC..Hα-helixtrans-65.2-42.3178.8172.50000111.7L57 F58 F59 H63 L64 S65L57-V61 HydrophobicContact CD1-CG2 4.24Å; L57-V61 WeakPolarHBondContact O-CG2 3.32Å; L57-V61 PolarHBondContact O-N 3.24Å; F58-V61 PolarHBondContact O-N 3.45Å; F59-V61 VanDerWaalsContact C-N 3.35Å; F59-V61 PolarHBondContact O-N 2.82Å; V61-H63 VanDerWaalsContact C-N 3.33Å; V61-H63 PolarHBondContact O-N 2.89Å; V61-L64 PolarHBondContact O-N 3.47Å; V61-S65 VanDerWaalsContact O-CB 3.26Å; V61-S65 WeakPolarHBondContact O-CB 3.31Å; V61-S65 PolarHBondContact O-N 3.02Å; V61-S65 PolarHBondContact O-OG 3.43Å
62V85.6Confident81.8Confident5 Ų551.3 Ų51.33%0.0326%0.263CS..Hα-helixtrans-61.3-41.9178.8169.20000111.6F58 F59 S65 L67 I68 I71F58-V62 HydrophobicContact CD1-CG2 4.34Å; F58-V62 HydrophobicContact CD2-CG2 4.38Å; F58-V62 HydrophobicContact CE1-CG2 3.96Å; F58-V62 HydrophobicContact CE2-CG2 4.01Å; F58-V62 HydrophobicContact CZ-CG2 3.78Å; F58-V62 VanDerWaalsContact O-CG2 3.3Å; F58-V62 WeakPolarHBondContact O-CG2 3.41Å; F58-V62 PolarHBondContact O-N 3.47Å; F59-V62 PolarHBondContact O-N 2.97Å; V62-S65 PolarHBondContact O-OG 2.91Å; V62-L67 PolarHBondContact O-N 3.35Å; V62-I68 HydrophobicContact CG1-CB 4.25Å; V62-I71 HydrophobicContact CG1-CD1 4.26Å
63H84.3Confident80.3Confident8 Ų852.5 Ų52.54%0.03728%0.276CS..Hα-helixtrans-74.4-42.3178.1-72.293.6000112.7Y7 F59 F60 V61 S65 S66 I68 E79 Y138Y7-H63 HydrophobicContact CD1-CB 3.67Å; Y7-H63 HydrophobicContact CD2-CB 3.85Å; Y7-H63 HydrophobicContact CE1-CB 3.3Å; Y7-H63 HydrophobicContact CE2-CB 3.49Å; Y7-H63 VanDerWaalsContact CE2-CB 3.49Å; Y7-H63 AromaticContact CE2-CD2 3.94Å; Y7-H63 AromaticContact CE2-CG 3.74Å; Y7-H63 HydrophobicContact CG-CB 3.92Å; Y7-H63 AromaticContact CZ-CG 3.67Å; F59-H63 PolarHBondContact O-N 3.37Å; F59-H63 PolarHBondContact O-ND1 3.24Å; F60-H63 PolarHBondContact O-N 2.68Å; V61-H63 VanDerWaalsContact C-N 3.33Å; V61-H63 PolarHBondContact O-N 2.89Å; H63-S65 VanDerWaalsContact C-N 3.31Å; H63-S65 PolarHBondContact O-N 3.04Å; H63-S66 PolarHBondContact O-N 3.05Å; H63-I68 WeakPolarHBondContact NE2-CD1 3.42Å; H63-E79 IonicContact CE1-OE1 2.95Å; H63-E79 IonicContact CE1-OE2 3.6Å; H63-E79 PolarHBondContact CE1-OE2 3.27Å; H63-E79 IonicContact NE2-OE2 3.19Å; H63-Y138 AromaticContact CD2-CZ 3.8Å; H63-Y138 PolarHBondContact CD2-OH 2.86Å; H63-Y138 AromaticContact NE2-CE2 3.33Å; H63-Y138 VanDerWaalsContact NE2-CE2 3.33Å; H63-Y138 WeakPolarHBondContact NE2-CE2 3.4Å; H63-Y138 AromaticContact NE2-CZ 3.15Å; H63-Y138 PolarHBondContact NE2-OH 2.93Å
64L83.4Confident79.5Confident39 Ų3955.9 Ų55.920%0.20430%0.297CS..Hα-helixtrans-64.5-36.1179.9-174.969.3000112.1L3 N4 Y7 A8 F60 V61 S66L3-L64 WeakPolarHBondContact CA-O 3.45Å; L3-L64 HydrophobicContact CD2-CD1 4.42Å; L3-L64 HydrophobicContact CD2-CD2 3.92Å; L3-L64 HydrophobicContact CD2-CG 3.75Å; N4-L64 PolarHBondContact N-O 3.1Å; Y7-L64 HydrophobicContact CD1-CB 4.41Å; A8-L64 HydrophobicContact CB-CD1 4.42Å; F60-L64 HydrophobicContact CE1-CD2 3.89Å; F60-L64 HydrophobicContact CZ-CD2 4.09Å; F60-L64 WeakPolarHBondContact O-CB 3.47Å; F60-L64 PolarHBondContact O-N 2.85Å; V61-L64 PolarHBondContact O-N 3.47Å; L64-S66 VanDerWaalsContact C-N 3.28Å; L64-S66 PolarHBondContact O-N 3.49Å
65S81.4Confident78.8Confident14 Ų1451.6 Ų51.610%0.09828%0.275CS..THydrogen-bonded Turntrans-83.11-179.160.90000114.6V61 V62 H63 L67V61-S65 VanDerWaalsContact O-CB 3.26Å; V61-S65 WeakPolarHBondContact O-CB 3.31Å; V61-S65 PolarHBondContact O-N 3.02Å; V61-S65 PolarHBondContact O-OG 3.43Å; V62-S65 PolarHBondContact O-OG 2.91Å; H63-S65 VanDerWaalsContact C-N 3.31Å; H63-S65 PolarHBondContact O-N 3.04Å; S65-L67 PolarHBondContact O-N 3.41Å; S65-L67 VanDerWaalsContact OG-CB 3.28Å; S65-L67 WeakPolarHBondContact OG-CB 3.37Å
66S70.8Confident78.2Confident31 Ų3150.5 Ų50.522%0.21727%0.268CS..THydrogen-bonded Turntrans53.120.2-169.2-640000113.4N4 H63 L64 I68 Y69N4-S66 WeakPolarHBondContact CB-OG 3.35Å; H63-S66 PolarHBondContact O-N 3.05Å; L64-S66 VanDerWaalsContact C-N 3.28Å; L64-S66 PolarHBondContact O-N 3.49Å; S66-I68 PolarHBondContact O-N 3.06Å; S66-Y69 PolarHBondContact O-N 3.06Å
67L69Low77.8Confident55 Ų5554.2 Ų54.229%0.28829%0.287SS..G310 helixtrans-66.3-20.3179.5-176.361.4000111.2M1 V62 S65 Y69 K70 I71M1-L67 HydrophobicContact CE-CB 3.81Å; M1-L67 HydrophobicContact CE-CD1 3.61Å; M1-L67 HydrophobicContact CE-CD2 4.31Å; M1-L67 HydrophobicContact CE-CG 4.1Å; V62-L67 PolarHBondContact O-N 3.35Å; S65-L67 PolarHBondContact O-N 3.41Å; S65-L67 VanDerWaalsContact OG-CB 3.28Å; S65-L67 WeakPolarHBondContact OG-CB 3.37Å; L67-Y69 PolarHBondContact O-N 3.24Å; L67-K70 HydrophobicContact CD1-CB 4.05Å; L67-K70 HydrophobicContact CD1-CD 4.1Å; L67-K70 WeakPolarHBondContact O-CB 3.34Å; L67-K70 PolarHBondContact O-N 3.25Å; L67-I71 HydrophobicContact CD2-CD1 4.31Å; L67-I71 HydrophobicContact CG-CD1 4.02Å; L67-I71 HydrophobicContact CG-CG1 4.25Å; L67-I71 PolarHBondContact O-N 3.08Å
68I65Low77.5Confident7 Ų755.3 Ų55.34%0.03629%0.293CS..G310 helixtrans-54.2-36.7179.1-155.6149000113.3V62 H63 S66 K70 I71 V75 Y138V62-I68 HydrophobicContact CG1-CB 4.25Å; H63-I68 WeakPolarHBondContact NE2-CD1 3.42Å; S66-I68 PolarHBondContact O-N 3.06Å; I68-K70 PolarHBondContact O-N 3.28Å; I68-I71 PolarHBondContact O-N 2.95Å; I68-V75 HydrophobicContact CD1-CB 4.21Å; I68-V75 HydrophobicContact CD1-CG1 3.69Å; I68-V75 HydrophobicContact CG1-CB 4.01Å; I68-V75 HydrophobicContact CG1-CG1 3.81Å; I68-V75 HydrophobicContact CG1-CG2 4.23Å; I68-Y138 HydrophobicContact CD1-CD1 3.96Å; I68-Y138 HydrophobicContact CD1-CD2 3.27Å; I68-Y138 HydrophobicContact CD1-CE1 4.11Å; I68-Y138 HydrophobicContact CD1-CE2 3.5Å; I68-Y138 VanDerWaalsContact CD1-CE2 3.5Å; I68-Y138 HydrophobicContact CD1-CG 3.55Å; I68-Y138 HydrophobicContact CG1-CD2 4.08Å; I68-Y138 HydrophobicContact CG1-CG 4.03Å
69Y62.4Low77.4Confident128 Ų12849.5 Ų49.550%0.50227%0.267SS..G310 helixtrans-76.2-10.9179.2-58-70.5000113.9S66 L67S66-Y69 PolarHBondContact O-N 3.06Å; L67-Y69 PolarHBondContact O-N 3.24Å
70K65.9Low77.4Confident160 Ų16051.1 Ų51.170%0.69628%0.275SS*.G310 helixtrans-95.8-17.2175.5-65.2-170.4176.3-173.30112.4L67 I68 P72L67-K70 HydrophobicContact CD1-CB 4.05Å; L67-K70 HydrophobicContact CD1-CD 4.1Å; L67-K70 WeakPolarHBondContact O-CB 3.34Å; L67-K70 PolarHBondContact O-N 3.25Å; I68-K70 PolarHBondContact O-N 3.28Å; K70-P72 WeakPolarHBondContact O-CD 3.48Å
71I67.1Low77.5Confident60 Ų6054 Ų5431%0.30829%0.29SS..SBendtrans-90.3108.3-176.5-60.5169.6000108.2V62 L67 I68 G73 V75 N140V62-I71 HydrophobicContact CG1-CD1 4.26Å; L67-I71 HydrophobicContact CD2-CD1 4.31Å; L67-I71 HydrophobicContact CG-CD1 4.02Å; L67-I71 HydrophobicContact CG-CG1 4.25Å; L67-I71 PolarHBondContact O-N 3.08Å; I68-I71 PolarHBondContact O-N 2.95Å; I71-G73 PolarHBondContact O-N 3.25Å; I71-V75 HydrophobicContact CB-CG2 4.19Å; I71-V75 HydrophobicContact CG2-CG2 4.04Å; I71-N140 PolarHBondContact O-ND2 3.38Å; I71-N140 PolarHBondContact O-OD1 3.07Å
72P62Low77.7Confident116 Ų11651.9 Ų51.975%0.75328%0.279SS*.  trans-66.5122.8174.228.6-33.5000109K70K70-P72 WeakPolarHBondContact O-CD 3.48Å
73G64Low78Confident29 Ų2951.7 Ų51.730%0.29928%0.278SS..SBendtrans144.4173.317300000114.1I71 V75 N140I71-G73 PolarHBondContact O-N 3.25Å; G73-V75 PolarHBondContact O-N 3.39Å; G73-N140 PolarHBondContact N-ND2 3.44Å
74P76.8Confident78.5Confident76 Ų7655.9 Ų55.949%0.49430%0.296SS..  trans-78.167.1179.334.9-36.4000110.1T76 L77 I78P74-T76 PolarHBondContact O-N 3.29Å; P74-L77 HydrophobicContact CB-CB 3.87Å; P74-L77 HydrophobicContact CB-CD2 4.48Å; P74-L77 HydrophobicContact CG-CB 4.37Å; P74-L77 HydrophobicContact CG-CD2 4.34Å; P74-L77 WeakPolarHBondContact O-CA 3.49Å; P74-L77 WeakPolarHBondContact O-CB 3.29Å; P74-L77 PolarHBondContact O-N 2.83Å; P74-I78 PolarHBondContact O-N 3.37Å; P74-I78 VanDerWaalsContact O-N 3.1Å
75V79.4Confident79Confident10 Ų1058.7 Ų58.76%0.06131%0.311CS..Hα-helixtrans-56.4-36.9-175.3-175.90000111.5I68 I71 G73 L77 I78 E79 Y138I68-V75 HydrophobicContact CD1-CB 4.21Å; I68-V75 HydrophobicContact CD1-CG1 3.69Å; I68-V75 HydrophobicContact CG1-CB 4.01Å; I68-V75 HydrophobicContact CG1-CG1 3.81Å; I68-V75 HydrophobicContact CG1-CG2 4.23Å; I71-V75 HydrophobicContact CB-CG2 4.19Å; I71-V75 HydrophobicContact CG2-CG2 4.04Å; G73-V75 PolarHBondContact O-N 3.39Å; V75-L77 VanDerWaalsContact C-N 3.3Å; V75-L77 PolarHBondContact O-N 3.22Å; V75-I78 PolarHBondContact O-N 3.45Å; V75-E79 WeakPolarHBondContact O-CB 3.26Å; V75-E79 PolarHBondContact O-N 3.32Å; V75-Y138 HydrophobicContact CB-CD2 4.27Å; V75-Y138 HydrophobicContact CG1-CD2 4.47Å
76T81.1Confident79.6Confident4 Ų458.3 Ų58.33%0.02531%0.308CS..Hα-helixtrans-58.7-4117428.60000112.6P74 F80 L128 Y132 Y138P74-T76 PolarHBondContact O-N 3.29Å; T76-F80 VanDerWaalsContact O-CB 3.22Å; T76-F80 WeakPolarHBondContact O-CB 3.46Å; T76-F80 PolarHBondContact O-N 2.95Å; T76-L128 HydrophobicContact CG2-CD1 3.96Å; T76-Y132 HydrophobicContact CG2-CD2 4.42Å; T76-Y138 HydrophobicContact CG2-CD1 4.37Å; T76-Y138 HydrophobicContact CG2-CD2 3.1Å; T76-Y138 HydrophobicContact CG2-CE2 3.29Å; T76-Y138 HydrophobicContact CG2-CG 3.68Å; T76-Y138 PolarHBondContact OG1-N 3.27Å
77L84Confident80.7Confident80 Ų8057.2 Ų57.242%0.41930%0.301SS..Hα-helixtrans-70-43.1-178.7-171.786.2000110.3P74 V75 F80 I81P74-L77 HydrophobicContact CB-CB 3.87Å; P74-L77 HydrophobicContact CB-CD2 4.48Å; P74-L77 HydrophobicContact CG-CB 4.37Å; P74-L77 HydrophobicContact CG-CD2 4.34Å; P74-L77 WeakPolarHBondContact O-CA 3.49Å; P74-L77 WeakPolarHBondContact O-CB 3.29Å; P74-L77 PolarHBondContact O-N 2.83Å; V75-L77 VanDerWaalsContact C-N 3.3Å; V75-L77 PolarHBondContact O-N 3.22Å; L77-F80 WeakPolarHBondContact O-CB 3.38Å; L77-F80 PolarHBondContact O-N 2.89Å; L77-I81 HydrophobicContact CD2-CD1 4.36Å; L77-I81 HydrophobicContact CG-CD1 4.11Å; L77-I81 VanDerWaalsContact O-CG1 3.31Å; L77-I81 WeakPolarHBondContact O-CG1 3.25Å; L77-I81 PolarHBondContact O-N 3.23Å
78I86.9Confident82Confident91 Ų9159 Ų5947%0.46731%0.31SS..Hα-helixtrans-62.6-45.4178.1-63.2169.3000110.1P74 V75 F80 I81 S82P74-I78 PolarHBondContact O-N 3.37Å; P74-I78 VanDerWaalsContact O-N 3.1Å; V75-I78 PolarHBondContact O-N 3.45Å; I78-F80 VanDerWaalsContact C-N 3.34Å; I78-F80 PolarHBondContact O-N 2.98Å; I78-I81 PolarHBondContact O-N 3.49Å; I78-S82 WeakPolarHBondContact O-CB 3.27Å; I78-S82 PolarHBondContact O-N 3.08Å; I78-S82 PolarHBondContact O-OG 3.12Å
79E89.1Confident83.4Confident0 Ų060.2 Ų60.20%032%0.317CS..Hα-helixtrans-60-45.7174.9-175.6179.6-167.200111.2K16 F59 H63 V75 I81 S82 I83 L128K16-E79 WeakPolarHBondContact CE-OE1 3.36Å; K16-E79 IonicContact NZ-OE1 2.68Å; K16-E79 PolarHBondContact NZ-OE1 2.69Å; F59-E79 HydrophobicContact CD1-CB 4.02Å; F59-E79 HydrophobicContact CD1-CG 3.84Å; F59-E79 HydrophobicContact CD2-CG 4.06Å; F59-E79 HydrophobicContact CE1-CB 3.63Å; F59-E79 HydrophobicContact CE1-CG 3.9Å; F59-E79 HydrophobicContact CE2-CB 4.37Å; F59-E79 HydrophobicContact CE2-CG 4.12Å; F59-E79 HydrophobicContact CG-CG 3.94Å; F59-E79 HydrophobicContact CZ-CB 3.84Å; F59-E79 HydrophobicContact CZ-CG 4.06Å; H63-E79 IonicContact CE1-OE1 2.95Å; H63-E79 IonicContact CE1-OE2 3.6Å; H63-E79 PolarHBondContact CE1-OE2 3.27Å; H63-E79 IonicContact NE2-OE2 3.19Å; V75-E79 WeakPolarHBondContact O-CB 3.26Å; V75-E79 PolarHBondContact O-N 3.32Å; E79-I81 PolarHBondContact O-N 3.47Å; E79-S82 PolarHBondContact O-N 2.91Å; E79-S82 VanDerWaalsContact O-N 3.14Å; E79-I83 HydrophobicContact CG-CD1 3.68Å; E79-I83 HydrophobicContact CG-CG1 4.22Å; E79-I83 VanDerWaalsContact O-CG1 3.32Å; E79-I83 WeakPolarHBondContact O-CG1 3.32Å; E79-I83 PolarHBondContact O-N 3.44Å; E79-L128 HydrophobicContact CB-CD2 4.02Å; E79-L128 HydrophobicContact CG-CD2 3.76Å
80F89.8Confident84.9Confident44 Ų4454.4 Ų54.419%0.19330%0.295CS..Hα-helixtrans-60.4-43.6179.7-179.9-101.6000112.8T76 L77 I78 S82 K84 T125 L128 F129T76-F80 VanDerWaalsContact O-CB 3.22Å; T76-F80 WeakPolarHBondContact O-CB 3.46Å; T76-F80 PolarHBondContact O-N 2.95Å; L77-F80 WeakPolarHBondContact O-CB 3.38Å; L77-F80 PolarHBondContact O-N 2.89Å; I78-F80 VanDerWaalsContact C-N 3.34Å; I78-F80 PolarHBondContact O-N 2.98Å; F80-S82 VanDerWaalsContact C-N 3.34Å; F80-K84 HydrophobicContact CD1-CD 4.22Å; F80-K84 HydrophobicContact CE1-CD 3.75Å; F80-K84 VanDerWaalsContact CE1-CE 3.49Å; F80-K84 HydrophobicContact CE2-CD 4.5Å; F80-K84 HydrophobicContact CZ-CD 3.94Å; F80-K84 VanDerWaalsContact CZ-NZ 3.3Å; F80-K84 WeakPolarHBondContact O-CB 3.42Å; F80-K84 WeakPolarHBondContact O-CG 3.42Å; F80-K84 PolarHBondContact O-N 2.88Å; F80-K84 VanDerWaalsContact O-N 3.11Å; F80-T125 HydrophobicContact CD2-CG2 3.92Å; F80-T125 HydrophobicContact CE2-CG2 3.39Å; F80-T125 HydrophobicContact CZ-CG2 4.13Å; F80-L128 VanDerWaalsContact CA-CD2 3.47Å; F80-L128 HydrophobicContact CB-CD2 3.69Å; F80-L128 HydrophobicContact CB-CG 4.38Å; F80-L128 HydrophobicContact CD2-CD2 4.24Å; F80-L128 HydrophobicContact CD2-CG 4.43Å; F80-L128 HydrophobicContact CG-CD2 4.5Å; F80-F129 HydrophobicContact CE2-CB 4.01Å; F80-F129 HydrophobicContact CE2-CD2 4.34Å; F80-F129 HydrophobicContact CZ-CD2 4.37Å
81I91.8Very high86.3Confident100 Ų10049.8 Ų49.851%0.51328%0.277SS..Hα-helixtrans-64.9-42175.8-67.1165.5000110.4L77 I78 E79 K84 L85L77-I81 HydrophobicContact CD2-CD1 4.36Å; L77-I81 HydrophobicContact CG-CD1 4.11Å; L77-I81 VanDerWaalsContact O-CG1 3.31Å; L77-I81 WeakPolarHBondContact O-CG1 3.25Å; L77-I81 PolarHBondContact O-N 3.23Å; I78-I81 PolarHBondContact O-N 3.49Å; E79-I81 PolarHBondContact O-N 3.47Å; I81-K84 PolarHBondContact O-N 2.89Å; I81-L85 WeakPolarHBondContact O-CB 3.39Å; I81-L85 PolarHBondContact O-N 3.43Å
82S92.3Very high87.6Confident33 Ų3350.4 Ų50.423%0.23128%0.28CS..Hα-helixtrans-65-46.9-178.6-56.90000112I78 E79 F80 K84 L85 C86I78-S82 WeakPolarHBondContact O-CB 3.27Å; I78-S82 PolarHBondContact O-N 3.08Å; I78-S82 PolarHBondContact O-OG 3.12Å; E79-S82 PolarHBondContact O-N 2.91Å; E79-S82 VanDerWaalsContact O-N 3.14Å; F80-S82 VanDerWaalsContact C-N 3.34Å; S82-K84 VanDerWaalsContact C-N 3.33Å; S82-K84 PolarHBondContact O-N 3.47Å; S82-L85 PolarHBondContact O-N 3.29Å; S82-C86 PolarHBondContact O-N 2.92Å; S82-C86 PolarHBondContact O-SG 3.15Å; S82-C86 VanDerWaalsContact O-SG 3.37Å
83I92.5Very high89.2Confident1 Ų144.9 Ų44.91%0.00525%0.245CC..Hα-helixtrans-62.1-42.7176.8-62.5162.3000110.4K16 E79 L85 C86 A87 Y121 D124 T125 L128K16-I83 VanDerWaalsContact NZ-CD1 3.3Å; E79-I83 HydrophobicContact CG-CD1 3.68Å; E79-I83 HydrophobicContact CG-CG1 4.22Å; E79-I83 VanDerWaalsContact O-CG1 3.32Å; E79-I83 WeakPolarHBondContact O-CG1 3.32Å; E79-I83 PolarHBondContact O-N 3.44Å; I83-L85 VanDerWaalsContact C-N 3.34Å; I83-L85 PolarHBondContact O-N 2.91Å; I83-C86 WeakPolarHBondContact O-CB 3.39Å; I83-C86 PolarHBondContact O-N 2.86Å; I83-A87 PolarHBondContact O-N 2.92Å; I83-Y121 HydrophobicContact CG2-CD1 3.97Å; I83-Y121 HydrophobicContact CG2-CG 4.41Å; I83-Y121 WeakPolarHBondContact CG2-O 3.23Å; I83-D124 VanDerWaalsContact CD1-OD2 3.3Å; I83-D124 WeakPolarHBondContact CD1-OD2 3.29Å; I83-D124 HydrophobicContact CG2-CB 4.45Å; I83-T125 VanDerWaalsContact CG2-OG1 3.25Å; I83-T125 WeakPolarHBondContact CG2-OG1 3.38Å; I83-L128 HydrophobicContact CD1-CD2 3.66Å
84K93Very high90.6Very high95 Ų9546 Ų4641%0.41324%0.243SC..Hα-helixtrans-61.2-42176.4-81.2-169.8166.1-168.10112.6F80 I81 S82 A87 I88 T125F80-K84 HydrophobicContact CD1-CD 4.22Å; F80-K84 HydrophobicContact CE1-CD 3.75Å; F80-K84 VanDerWaalsContact CE1-CE 3.49Å; F80-K84 HydrophobicContact CE2-CD 4.5Å; F80-K84 HydrophobicContact CZ-CD 3.94Å; F80-K84 VanDerWaalsContact CZ-NZ 3.3Å; F80-K84 WeakPolarHBondContact O-CB 3.42Å; F80-K84 WeakPolarHBondContact O-CG 3.42Å; F80-K84 PolarHBondContact O-N 2.88Å; F80-K84 VanDerWaalsContact O-N 3.11Å; I81-K84 PolarHBondContact O-N 2.89Å; S82-K84 VanDerWaalsContact C-N 3.33Å; S82-K84 PolarHBondContact O-N 3.47Å; K84-A87 WeakPolarHBondContact O-CB 3.42Å; K84-A87 PolarHBondContact O-N 3.29Å; K84-I88 WeakPolarHBondContact O-CG1 3.47Å; K84-I88 PolarHBondContact O-N 2.98Å; K84-T125 HydrophobicContact CD-CG2 4.32Å; K84-T125 HydrophobicContact CG-CG2 3.83Å
85L94.5Very high91.4Very high98 Ų9847 Ų4751%0.51324%0.243SC..Hα-helixtrans-62-45.9175.2-176.664.5000110.6I81 S82 I83 A87 I88 L89I81-L85 WeakPolarHBondContact O-CB 3.39Å; I81-L85 PolarHBondContact O-N 3.43Å; S82-L85 PolarHBondContact O-N 3.29Å; I83-L85 VanDerWaalsContact C-N 3.34Å; I83-L85 PolarHBondContact O-N 2.91Å; L85-A87 VanDerWaalsContact C-N 3.31Å; L85-A87 PolarHBondContact O-N 2.9Å; L85-I88 PolarHBondContact O-N 3.43Å; L85-L89 HydrophobicContact CG-CD1 4.23Å; L85-L89 WeakPolarHBondContact O-CB 3.28Å; L85-L89 VanDerWaalsContact O-CG 3.29Å; L85-L89 WeakPolarHBondContact O-CG 3.36Å; L85-L89 PolarHBondContact O-N 3.5Å
86C94.9Very high92Very high6 Ų649 Ų494%0.04125%0.253CS..Hα-helixtrans-59.1-39.8174.6-69.50000112.5S82 I83 L89 A90 Y121S82-C86 PolarHBondContact O-N 2.92Å; S82-C86 PolarHBondContact O-SG 3.15Å; S82-C86 VanDerWaalsContact O-SG 3.37Å; I83-C86 WeakPolarHBondContact O-CB 3.39Å; I83-C86 PolarHBondContact O-N 2.86Å; C86-L89 PolarHBondContact O-N 3.43Å; C86-A90 WeakPolarHBondContact O-CB 3.34Å; C86-A90 PolarHBondContact O-N 3.48Å; C86-Y121 HydrophobicContact CB-CD1 4.23Å; C86-Y121 HydrophobicContact CB-CD2 4.16Å; C86-Y121 HydrophobicContact CB-CE1 3.95Å; C86-Y121 HydrophobicContact CB-CE2 3.89Å; C86-Y121 HydrophobicContact CB-CG 4.33Å
87A94.4Very high92.4Very high9 Ų948.8 Ų48.87%0.07425%0.252CS..Hα-helixtrans-61.9-47.5175.100000111.6I83 K84 L85 L89 A90 L91 F118 Y121I83-A87 PolarHBondContact O-N 2.92Å; K84-A87 WeakPolarHBondContact O-CB 3.42Å; K84-A87 PolarHBondContact O-N 3.29Å; L85-A87 VanDerWaalsContact C-N 3.31Å; L85-A87 PolarHBondContact O-N 2.9Å; A87-L89 VanDerWaalsContact C-N 3.35Å; A87-L89 PolarHBondContact O-N 3.49Å; A87-A90 PolarHBondContact O-N 2.81Å; A87-L91 PolarHBondContact O-N 3.42Å; A87-F118 HydrophobicContact CB-CD2 4.18Å; A87-F118 HydrophobicContact CB-CE2 4.39Å; A87-F118 WeakPolarHBondContact O-CD2 3.29Å; A87-Y121 HydrophobicContact CB-CG 4.49Å
88I95.3Very high92.6Very high93 Ų9348 Ų4848%0.47726%0.256SS..Hα-helixtrans-63-43.5178.5-67165.1000110.4K84 L85 A90 L91 I92K84-I88 WeakPolarHBondContact O-CG1 3.47Å; K84-I88 PolarHBondContact O-N 2.98Å; L85-I88 PolarHBondContact O-N 3.43Å; I88-A90 VanDerWaalsContact C-N 3.33Å; I88-A90 PolarHBondContact O-N 3.17Å; I88-L91 WeakPolarHBondContact O-CB 3.38Å; I88-L91 PolarHBondContact O-N 3.46Å; I88-I92 HydrophobicContact CG2-CD1 3.88Å; I88-I92 WeakPolarHBondContact O-CG1 3.34Å; I88-I92 PolarHBondContact O-N 3.15Å
89L94.4Very high92.6Very high32 Ų3247.8 Ų47.817%0.16827%0.268CS..Hα-helixtrans-62.1-40.7175.7-68.6177.1000111.7F48 L85 C86 A87 I92 A93F48-L89 HydrophobicContact CD1-CB 4.46Å; F48-L89 HydrophobicContact CD1-CD1 4.23Å; F48-L89 HydrophobicContact CD1-CD2 3.98Å; F48-L89 HydrophobicContact CD1-CG 4.46Å; F48-L89 HydrophobicContact CE1-CD2 3.71Å; F48-L89 HydrophobicContact CG-CB 4.38Å; F48-L89 HydrophobicContact CZ-CD2 4.02Å; L85-L89 HydrophobicContact CG-CD1 4.23Å; L85-L89 WeakPolarHBondContact O-CB 3.28Å; L85-L89 VanDerWaalsContact O-CG 3.29Å; L85-L89 WeakPolarHBondContact O-CG 3.36Å; L85-L89 PolarHBondContact O-N 3.5Å; C86-L89 PolarHBondContact O-N 3.43Å; A87-L89 VanDerWaalsContact C-N 3.35Å; A87-L89 PolarHBondContact O-N 3.49Å; L89-I92 PolarHBondContact O-N 3.48Å; L89-A93 WeakPolarHBondContact O-CB 3.46Å; L89-A93 PolarHBondContact O-N 2.87Å
90A94.2Very high92.3Very high5 Ų550.5 Ų50.54%0.04129%0.285CS..Hα-helixtrans-63.6-40.4175.400000112.1C86 A87 I88 A93 M94 F114 F118 Y121C86-A90 WeakPolarHBondContact O-CB 3.34Å; C86-A90 PolarHBondContact O-N 3.48Å; A87-A90 PolarHBondContact O-N 2.81Å; I88-A90 VanDerWaalsContact C-N 3.33Å; I88-A90 PolarHBondContact O-N 3.17Å; A90-A93 PolarHBondContact O-N 2.91Å; A90-M94 WeakPolarHBondContact O-CB 3.24Å; A90-M94 PolarHBondContact O-N 3.36Å; A90-F114 HydrophobicContact CB-CD1 4.35Å; A90-F118 HydrophobicContact CB-CB 4.27Å; A90-Y121 HydrophobicContact CB-CD2 4.3Å; A90-Y121 HydrophobicContact CB-CE2 4.41Å
91L95.1Very high91.4Very high63 Ų6350 Ų5033%0.3329%0.293SS..Hα-helixtrans-62.2-47.4174.4-173.784.3000111.4A87 I88 A93 M94 I95 F118A87-L91 PolarHBondContact O-N 3.42Å; I88-L91 WeakPolarHBondContact O-CB 3.38Å; I88-L91 PolarHBondContact O-N 3.46Å; L91-A93 VanDerWaalsContact C-N 3.32Å; L91-A93 PolarHBondContact O-N 2.92Å; L91-M94 HydrophobicContact CD1-CE 3.97Å; L91-M94 WeakPolarHBondContact O-CB 3.21Å; L91-M94 PolarHBondContact O-N 3.27Å; L91-I95 WeakPolarHBondContact O-CG1 3.47Å; L91-I95 PolarHBondContact O-N 3.38Å; L91-I95 VanDerWaalsContact O-N 3.11Å; L91-F118 HydrophobicContact CB-CD2 4Å; L91-F118 HydrophobicContact CB-CE2 4.2Å; L91-F118 HydrophobicContact CD1-CD1 4.25Å; L91-F118 HydrophobicContact CD1-CD2 4.25Å; L91-F118 HydrophobicContact CD1-CE1 4.11Å; L91-F118 HydrophobicContact CD1-CE2 4.11Å; L91-F118 HydrophobicContact CD1-CG 4.31Å; L91-F118 HydrophobicContact CD1-CZ 4.03Å
92I95Very high90.3Very high73 Ų7348.5 Ų48.537%0.37430%0.301SS..Hα-helixtrans-62-43.7177.4-67.7167.9000110.1F48 I88 L89 M94 I95 I96F48-I92 HydrophobicContact CE2-CG2 4.49Å; I88-I92 HydrophobicContact CG2-CD1 3.88Å; I88-I92 WeakPolarHBondContact O-CG1 3.34Å; I88-I92 PolarHBondContact O-N 3.15Å; L89-I92 PolarHBondContact O-N 3.48Å; I92-M94 VanDerWaalsContact C-N 3.34Å; I92-M94 PolarHBondContact O-N 2.73Å; I92-I95 PolarHBondContact O-N 3.23Å; I92-I95 VanDerWaalsContact O-N 3.15Å; I92-I96 HydrophobicContact CG2-CD1 3.74Å; I92-I96 HydrophobicContact CG2-CG1 4.35Å; I92-I96 WeakPolarHBondContact O-CG1 3.33Å; I92-I96 PolarHBondContact O-N 2.9Å
93A94.3Very high89.3Confident0 Ų050.4 Ų50.40%033%0.326CS..Hα-helixtrans-61.7-40.6177.700000112.4L45 F48 L89 A90 L91 I95 I96 T97 F114L45-A93 HydrophobicContact CD2-CB 3.67Å; F48-A93 HydrophobicContact CD2-CB 3.97Å; L89-A93 WeakPolarHBondContact O-CB 3.46Å; L89-A93 PolarHBondContact O-N 2.87Å; A90-A93 PolarHBondContact O-N 2.91Å; L91-A93 VanDerWaalsContact C-N 3.32Å; L91-A93 PolarHBondContact O-N 2.92Å; A93-I95 VanDerWaalsContact C-N 3.34Å; A93-I95 PolarHBondContact O-N 3.45Å; A93-I96 PolarHBondContact O-N 2.83Å; A93-T97 WeakPolarHBondContact O-CB 3.18Å; A93-T97 VanDerWaalsContact O-CG2 3.29Å; A93-T97 WeakPolarHBondContact O-CG2 3.45Å; A93-T97 PolarHBondContact O-N 2.92Å; A93-T97 PolarHBondContact O-OG1 2.91Å; A93-F114 HydrophobicContact CB-CB 4.48Å; A93-F114 HydrophobicContact CB-CD1 3.51Å; A93-F114 HydrophobicContact CB-CD2 3.73Å; A93-F114 HydrophobicContact CB-CE1 3.47Å; A93-F114 VanDerWaalsContact CB-CE1 3.47Å; A93-F114 HydrophobicContact CB-CE2 3.71Å; A93-F114 HydrophobicContact CB-CG 3.65Å; A93-F114 HydrophobicContact CB-CZ 3.58Å
94M94.4Very high88.6Confident53 Ų5352.3 Ų52.326%0.26134%0.339SS..Hα-helixtrans-58.6-44.3172.7179.6-162.170.400111.4A90 L91 I92 T97 A98 F114 A115A90-M94 WeakPolarHBondContact O-CB 3.24Å; A90-M94 PolarHBondContact O-N 3.36Å; L91-M94 HydrophobicContact CD1-CE 3.97Å; L91-M94 WeakPolarHBondContact O-CB 3.21Å; L91-M94 PolarHBondContact O-N 3.27Å; I92-M94 VanDerWaalsContact C-N 3.34Å; I92-M94 PolarHBondContact O-N 2.73Å; M94-T97 WeakPolarHBondContact CA-OG1 3.3Å; M94-T97 PolarHBondContact O-OG1 3.47Å; M94-A98 VanDerWaalsContact O-CB 3.27Å; M94-A98 WeakPolarHBondContact O-CB 3.42Å; M94-A98 PolarHBondContact O-N 2.85Å; M94-F114 HydrophobicContact CB-CB 3.88Å; M94-A115 HydrophobicContact CG-CB 4.22Å; M94-A115 HydrophobicContact SD-CB 3.71Å
95I92.8Very high88.1Confident98 Ų9851.5 Ų51.550%0.50335%0.35SS..Hα-helixtrans-66.2-44.6178.4-64.1166.7000110.8L91 I92 A93 A98 A99L91-I95 WeakPolarHBondContact O-CG1 3.47Å; L91-I95 PolarHBondContact O-N 3.38Å; L91-I95 VanDerWaalsContact O-N 3.11Å; I92-I95 PolarHBondContact O-N 3.23Å; I92-I95 VanDerWaalsContact O-N 3.15Å; A93-I95 VanDerWaalsContact C-N 3.34Å; A93-I95 PolarHBondContact O-N 3.45Å; I95-A98 PolarHBondContact O-N 3.23Å; I95-A99 VanDerWaalsContact O-CB 3.3Å; I95-A99 WeakPolarHBondContact O-CB 3.45Å; I95-A99 PolarHBondContact O-N 3.36Å
96I91.9Very high87.6Confident51 Ų5148 Ų4826%0.26234%0.336SS..Hα-helixtrans-61.3-49178.7-67.4168.4000110.4A41 L45 I92 A93 A98 A99 T100A41-I96 HydrophobicContact CB-CG2 4.27Å; L45-I96 HydrophobicContact CD1-CG2 4.45Å; L45-I96 HydrophobicContact CD2-CB 4.27Å; L45-I96 HydrophobicContact CD2-CG2 4.19Å; L45-I96 HydrophobicContact CG-CG2 4.43Å; I92-I96 HydrophobicContact CG2-CD1 3.74Å; I92-I96 HydrophobicContact CG2-CG1 4.35Å; I92-I96 WeakPolarHBondContact O-CG1 3.33Å; I92-I96 PolarHBondContact O-N 2.9Å; A93-I96 PolarHBondContact O-N 2.83Å; I96-A98 PolarHBondContact O-N 3.43Å; I96-A99 PolarHBondContact O-N 3.48Å; I96-T100 HydrophobicContact CG2-CG2 4.37Å; I96-T100 VanDerWaalsContact O-CG2 3.3Å; I96-T100 WeakPolarHBondContact O-CG2 3.1Å; I96-T100 PolarHBondContact O-N 2.95Å; I96-T100 PolarHBondContact O-OG1 3.26Å; I96-T100 VanDerWaalsContact O-OG1 3.12Å
97T90.6Very high87.2Confident0 Ų047.8 Ų47.80%034%0.335CS..Hα-helixtrans-60.5-45.1179.145.90000111.8Y36 L45 A93 M94 A99 T100 G101 S110 A111 F114Y36-T97 WeakPolarHBondContact OH-CG2 3.31Å; L45-T97 HydrophobicContact CD1-CG2 3.39Å; L45-T97 HydrophobicContact CD2-CG2 3.67Å; L45-T97 HydrophobicContact CG-CG2 4.14Å; A93-T97 WeakPolarHBondContact O-CB 3.18Å; A93-T97 VanDerWaalsContact O-CG2 3.29Å; A93-T97 WeakPolarHBondContact O-CG2 3.45Å; A93-T97 PolarHBondContact O-N 2.92Å; A93-T97 PolarHBondContact O-OG1 2.91Å; M94-T97 WeakPolarHBondContact CA-OG1 3.3Å; M94-T97 PolarHBondContact O-OG1 3.47Å; T97-A99 PolarHBondContact O-N 3.49Å; T97-T100 WeakPolarHBondContact CA-OG1 3.49Å; T97-T100 PolarHBondContact O-N 3.36Å; T97-T100 PolarHBondContact O-OG1 3.24Å; T97-G101 PolarHBondContact O-N 2.98Å; T97-S110 WeakPolarHBondContact CB-OG 3.37Å; T97-S110 WeakPolarHBondContact CG2-OG 3.22Å; T97-A111 WeakPolarHBondContact OG1-CA 3.36Å; T97-A111 VanDerWaalsContact OG1-CB 3.29Å; T97-A111 WeakPolarHBondContact OG1-CB 3.47Å; T97-F114 HydrophobicContact CG2-CD2 3.88Å; T97-F114 HydrophobicContact CG2-CE2 3.93Å
98A88.1Confident86.9Confident62 Ų6251.7 Ų51.751%0.51235%0.353SS..Hα-helixtrans-60.9-44.5175.200000112.3M94 I95 I96 T100 G101 A111M94-A98 VanDerWaalsContact O-CB 3.27Å; M94-A98 WeakPolarHBondContact O-CB 3.42Å; M94-A98 PolarHBondContact O-N 2.85Å; I95-A98 PolarHBondContact O-N 3.23Å; I96-A98 PolarHBondContact O-N 3.43Å; A98-T100 VanDerWaalsContact C-N 3.32Å; A98-T100 PolarHBondContact O-N 2.93Å; A98-G101 PolarHBondContact O-N 3.41Å; A98-G101 VanDerWaalsContact O-N 3.08Å; A98-A111 HydrophobicContact CB-CB 4.49Å
99A86.7Confident86.6Confident87 Ų8749.2 Ų49.272%0.71935%0.346SS*.Hα-helixtrans-67.4-30.917800000113I95 I96 T97 G101I95-A99 VanDerWaalsContact O-CB 3.3Å; I95-A99 WeakPolarHBondContact O-CB 3.45Å; I95-A99 PolarHBondContact O-N 3.36Å; I96-A99 PolarHBondContact O-N 3.48Å; T97-A99 PolarHBondContact O-N 3.49Å; A99-G101 PolarHBondContact O-N 3.06Å
100T82.7Confident86.4Confident58 Ų5847.7 Ų47.736%0.35634%0.338SS..THydrogen-bonded Turntrans-79.6-1.7173.2600000113.6A41 I96 T97 A98 G102A41-T100 HydrophobicContact CB-CG2 4.3Å; I96-T100 HydrophobicContact CG2-CG2 4.37Å; I96-T100 VanDerWaalsContact O-CG2 3.3Å; I96-T100 WeakPolarHBondContact O-CG2 3.1Å; I96-T100 PolarHBondContact O-N 2.95Å; I96-T100 PolarHBondContact O-OG1 3.26Å; I96-T100 VanDerWaalsContact O-OG1 3.12Å; T97-T100 WeakPolarHBondContact CA-OG1 3.49Å; T97-T100 PolarHBondContact O-N 3.36Å; T97-T100 PolarHBondContact O-OG1 3.24Å; A98-T100 VanDerWaalsContact C-N 3.32Å; A98-T100 PolarHBondContact O-N 2.93Å; T100-G102 VanDerWaalsContact C-N 3.29Å; T100-G102 PolarHBondContact O-N 2.96Å
101G70.3Confident86.3Confident34 Ų3448 Ų4835%0.35134%0.342SS..  trans-68.576.3-178.600000113.2T97 A98 A99 G103T97-G101 PolarHBondContact O-N 2.98Å; A98-G101 PolarHBondContact O-N 3.41Å; A98-G101 VanDerWaalsContact O-N 3.08Å; A99-G101 PolarHBondContact O-N 3.06Å; G101-G103 PolarHBondContact O-N 3.21Å
102G69.4Low86.2Confident68 Ų6849.9 Ų49.970%0.70135%0.351SS*.SBendtrans-7543.1171.200000113.4T100 S104T100-G102 VanDerWaalsContact C-N 3.29Å; T100-G102 PolarHBondContact O-N 2.96Å; G102-S104 PolarHBondContact O-N 3.11Å
103G70.8Confident86.2Confident73 Ų7348.9 Ų48.975%0.75335%0.346SS*.SBendtrans71.57-176.700000115.5G101G101-G103 PolarHBondContact O-N 3.21Å
104S78Confident86.3Confident40 Ų4049.1 Ų49.128%0.2835%0.347SS..  trans-82.8141.3176.3-179.50000111.3G102 A106 P107 I108G102-S104 PolarHBondContact O-N 3.11Å; S104-A106 VanDerWaalsContact C-N 3.29Å; S104-A106 PolarHBondContact O-N 2.93Å; S104-P107 WeakPolarHBondContact O-CD 3.45Å; S104-I108 WeakPolarHBondContact O-CD1 3.34Å; S104-I108 WeakPolarHBondContact O-CG1 3.22Å
105A82.9Confident86.4Confident78 Ų7848.1 Ų48.165%0.64535%0.347SS*.Hα-helixtrans-64.7-30179.600000113.4I108 A109A105-I108 PolarHBondContact O-N 3.43Å; A105-A109 WeakPolarHBondContact O-CB 3.09Å; A105-A109 PolarHBondContact O-N 2.88Å
106A84.2Confident86.5Confident25 Ų2546.1 Ų46.121%0.20734%0.339CS..Hα-helixtrans-67.4-49.2-176.800000113.2A33 S104 I108 A109 S110A33-A106 HydrophobicContact CB-CB 3.48Å; A33-A106 VanDerWaalsContact CB-CB 3.48Å; S104-A106 VanDerWaalsContact C-N 3.29Å; S104-A106 PolarHBondContact O-N 2.93Å; A106-I108 VanDerWaalsContact C-N 3.3Å; A106-I108 PolarHBondContact O-N 3.28Å; A106-A109 PolarHBondContact O-N 3.19Å; A106-S110 PolarHBondContact O-N 3.37Å; A106-S110 PolarHBondContact O-OG 3.34Å
107P86.5Confident86.7Confident2 Ų244 Ų441%0.01333%0.329CS..Hα-helixtrans-56-42.2171.7-28.433.9000114.3Y36 S104 S110 A111Y36-P107 HydrophobicContact CE2-CG 4.42Å; Y36-P107 WeakPolarHBondContact OH-CA 3.47Å; Y36-P107 WeakPolarHBondContact OH-CB 3.15Å; S104-P107 WeakPolarHBondContact O-CD 3.45Å; P107-S110 WeakPolarHBondContact CA-OG 3.22Å; P107-S110 PolarHBondContact O-N 2.94Å; P107-S110 PolarHBondContact O-OG 2.8Å; P107-A111 WeakPolarHBondContact O-CB 3.35Å; P107-A111 PolarHBondContact O-N 3.39Å
108I86.8Confident86.9Confident90 Ų9047.7 Ų47.746%0.46235%0.345SS..Hα-helixtrans-61.7-47.6178.2-61.7167.3000110.4S104 A105 A106 S110 A111 I112S104-I108 WeakPolarHBondContact O-CD1 3.34Å; S104-I108 WeakPolarHBondContact O-CG1 3.22Å; A105-I108 PolarHBondContact O-N 3.43Å; A106-I108 VanDerWaalsContact C-N 3.3Å; A106-I108 PolarHBondContact O-N 3.28Å; I108-S110 PolarHBondContact O-N 3.22Å; I108-A111 PolarHBondContact O-N 3.13Å; I108-I112 HydrophobicContact CG2-CD1 4.03Å; I108-I112 WeakPolarHBondContact O-CG1 3.42Å; I108-I112 PolarHBondContact O-N 3.47Å
109A89.5Confident87.3Confident41 Ų4148.4 Ų48.434%0.33934%0.343SS..Hα-helixtrans-60.6-45176.800000112A105 A106 A111 I112 L113A105-A109 WeakPolarHBondContact O-CB 3.09Å; A105-A109 PolarHBondContact O-N 2.88Å; A106-A109 PolarHBondContact O-N 3.19Å; A109-A111 VanDerWaalsContact C-N 3.35Å; A109-A111 PolarHBondContact O-N 2.78Å; A109-I112 PolarHBondContact O-N 3.02Å; A109-L113 WeakPolarHBondContact O-CG 3.4Å; A109-L113 PolarHBondContact O-N 3.06Å
110S91.3Very high87.7Confident0 Ų046.5 Ų46.50%032%0.319CS..Hα-helixtrans-63.2-39.3177.562.60000112.6Y36 T97 A106 P107 I108 I112 L113 F114Y36-S110 PolarHBondContact OH-OG 3.31Å; Y36-S110 VanDerWaalsContact OH-OG 3.04Å; T97-S110 WeakPolarHBondContact CB-OG 3.37Å; T97-S110 WeakPolarHBondContact CG2-OG 3.22Å; A106-S110 PolarHBondContact O-N 3.37Å; A106-S110 PolarHBondContact O-OG 3.34Å; P107-S110 WeakPolarHBondContact CA-OG 3.22Å; P107-S110 PolarHBondContact O-N 2.94Å; P107-S110 PolarHBondContact O-OG 2.8Å; I108-S110 PolarHBondContact O-N 3.22Å; S110-I112 PolarHBondContact O-N 3.02Å; S110-L113 PolarHBondContact O-N 3.17Å; S110-F114 WeakPolarHBondContact O-CD2 3.19Å; S110-F114 PolarHBondContact O-N 3.03Å
111A91.7Very high88.3Confident13 Ų1344.4 Ų44.411%0.10730%0.304CS..Hα-helixtrans-62.8-43.5176.800000111.5T97 A98 P107 I108 A109 F114 A115T97-A111 WeakPolarHBondContact OG1-CA 3.36Å; T97-A111 VanDerWaalsContact OG1-CB 3.29Å; T97-A111 WeakPolarHBondContact OG1-CB 3.47Å; A98-A111 HydrophobicContact CB-CB 4.49Å; P107-A111 WeakPolarHBondContact O-CB 3.35Å; P107-A111 PolarHBondContact O-N 3.39Å; I108-A111 PolarHBondContact O-N 3.13Å; A109-A111 VanDerWaalsContact C-N 3.35Å; A109-A111 PolarHBondContact O-N 2.78Å; A111-F114 PolarHBondContact O-N 2.91Å; A111-A115 WeakPolarHBondContact O-CB 3.5Å; A111-A115 PolarHBondContact O-N 2.94Å
112I93.5Very high89.3Confident101 Ų10144.5 Ų44.552%0.51831%0.305SS..Hα-helixtrans-62.4-46.2176.1-65.6165.1000110.4I108 A109 S110 F114 A115 V116I108-I112 HydrophobicContact CG2-CD1 4.03Å; I108-I112 WeakPolarHBondContact O-CG1 3.42Å; I108-I112 PolarHBondContact O-N 3.47Å; A109-I112 PolarHBondContact O-N 3.02Å; S110-I112 PolarHBondContact O-N 3.02Å; I112-F114 VanDerWaalsContact C-N 3.35Å; I112-F114 PolarHBondContact O-N 3.28Å; I112-A115 WeakPolarHBondContact O-CB 3.46Å; I112-A115 PolarHBondContact O-N 3.27Å; I112-V116 WeakPolarHBondContact O-CG2 3.42Å; I112-V116 PolarHBondContact O-N 3Å
113L94.7Very high90.5Very high53 Ų5344.5 Ų44.528%0.27729%0.288SS..Hα-helixtrans-64.5-37.5179-71177.5000112.6L26 A109 S110 V116 S117L26-L113 HydrophobicContact CD2-CB 3.44Å; L26-L113 VanDerWaalsContact CD2-CB 3.44Å; L26-L113 HydrophobicContact CD2-CD1 4.26Å; L26-L113 HydrophobicContact CG-CB 3.83Å; L26-L113 HydrophobicContact CG-CD1 4.44Å; A109-L113 WeakPolarHBondContact O-CG 3.4Å; A109-L113 PolarHBondContact O-N 3.06Å; S110-L113 PolarHBondContact O-N 3.17Å; L113-V116 PolarHBondContact O-N 3.29Å; L113-S117 WeakPolarHBondContact O-CB 3.43Å; L113-S117 PolarHBondContact O-N 3.47Å; L113-S117 PolarHBondContact O-OG 3.37Å
114F95.8Very high91.4Very high4 Ų441 Ų412%0.01825%0.252CS..Hα-helixtrans-67.2-36.9172.7-82.3-59.8000112.3L26 I30 L45 A49 A90 A93 M94 T97 S110 A111 I112 S117 F118L26-F114 HydrophobicContact CD1-CD1 3.64Å; L26-F114 HydrophobicContact CD1-CE1 3.58Å; L26-F114 HydrophobicContact CD1-CG 4.24Å; L26-F114 HydrophobicContact CD1-CZ 4.12Å; L26-F114 HydrophobicContact CD2-CD1 4.06Å; L26-F114 HydrophobicContact CD2-CD2 3.67Å; L26-F114 HydrophobicContact CD2-CE1 4.06Å; L26-F114 HydrophobicContact CD2-CE2 3.64Å; L26-F114 HydrophobicContact CD2-CG 3.87Å; L26-F114 HydrophobicContact CD2-CZ 3.84Å; L26-F114 HydrophobicContact CG-CE1 4.39Å; L26-F114 HydrophobicContact CG-CZ 4.47Å; I30-F114 HydrophobicContact CD1-CE2 4.14Å; I30-F114 HydrophobicContact CD1-CZ 4.12Å; L45-F114 HydrophobicContact CB-CE2 4.34Å; L45-F114 HydrophobicContact CB-CZ 4.39Å; L45-F114 HydrophobicContact CD2-CE2 3.82Å; L45-F114 HydrophobicContact CD2-CZ 4.21Å; A49-F114 HydrophobicContact CB-CZ 4.46Å; A90-F114 HydrophobicContact CB-CD1 4.35Å; A93-F114 HydrophobicContact CB-CB 4.48Å; A93-F114 HydrophobicContact CB-CD1 3.51Å; A93-F114 HydrophobicContact CB-CD2 3.73Å; A93-F114 HydrophobicContact CB-CE1 3.47Å; A93-F114 VanDerWaalsContact CB-CE1 3.47Å; A93-F114 HydrophobicContact CB-CE2 3.71Å; A93-F114 HydrophobicContact CB-CG 3.65Å; A93-F114 HydrophobicContact CB-CZ 3.58Å; M94-F114 HydrophobicContact CB-CB 3.88Å; T97-F114 HydrophobicContact CG2-CD2 3.88Å; T97-F114 HydrophobicContact CG2-CE2 3.93Å; S110-F114 WeakPolarHBondContact O-CD2 3.19Å; S110-F114 PolarHBondContact O-N 3.03Å; A111-F114 PolarHBondContact O-N 2.91Å; I112-F114 VanDerWaalsContact C-N 3.35Å; I112-F114 PolarHBondContact O-N 3.28Å; F114-S117 WeakPolarHBondContact O-CB 3.41Å; F114-S117 PolarHBondContact O-N 3.14Å; F114-F118 WeakPolarHBondContact O-CB 3.35Å; F114-F118 PolarHBondContact O-N 3.48Å
115A95.9Very high92Very high32 Ų3239.9 Ų39.926%0.26424%0.244SC..Hα-helixtrans-63.1-44.617400000111.7M94 A111 I112 S117 F118 V119M94-A115 HydrophobicContact CG-CB 4.22Å; M94-A115 HydrophobicContact SD-CB 3.71Å; A111-A115 WeakPolarHBondContact O-CB 3.5Å; A111-A115 PolarHBondContact O-N 2.94Å; I112-A115 WeakPolarHBondContact O-CB 3.46Å; I112-A115 PolarHBondContact O-N 3.27Å; A115-S117 VanDerWaalsContact C-N 3.33Å; A115-S117 PolarHBondContact O-N 3.2Å; A115-F118 WeakPolarHBondContact O-CB 3.35Å; A115-F118 PolarHBondContact O-N 3.39Å; A115-V119 WeakPolarHBondContact O-CG2 3.47Å; A115-V119 PolarHBondContact O-N 3.45Å; A115-V119 VanDerWaalsContact O-N 3.11Å
116V96Very high92.4Very high57 Ų5742.9 Ų42.935%0.34524%0.243SC..Hα-helixtrans-63-41.8174.9178.30000110.7I22 I112 L113 F118 V119 F120I22-V116 HydrophobicContact CD1-CG1 3.74Å; I112-V116 WeakPolarHBondContact O-CG2 3.42Å; I112-V116 PolarHBondContact O-N 3Å; L113-V116 PolarHBondContact O-N 3.29Å; V116-F118 VanDerWaalsContact C-N 3.33Å; V116-F118 PolarHBondContact O-N 2.92Å; V116-V119 PolarHBondContact O-N 3.32Å; V116-F120 HydrophobicContact CG1-CD2 4.48Å; V116-F120 HydrophobicContact CG1-CE1 4.31Å; V116-F120 HydrophobicContact CG1-CE2 4.2Å; V116-F120 HydrophobicContact CG1-CZ 4.1Å; V116-F120 PolarHBondContact O-N 3.11Å
117S95Very high92.6Very high5 Ų543.4 Ų43.44%0.03524%0.241CC..Hα-helixtrans-58.8-44.7175.2-57.60000111.8I22 L113 F114 A115 V119 F120 Y121I22-S117 WeakPolarHBondContact CG2-OG 3.23Å; L113-S117 WeakPolarHBondContact O-CB 3.43Å; L113-S117 PolarHBondContact O-N 3.47Å; L113-S117 PolarHBondContact O-OG 3.37Å; F114-S117 WeakPolarHBondContact O-CB 3.41Å; F114-S117 PolarHBondContact O-N 3.14Å; A115-S117 VanDerWaalsContact C-N 3.33Å; A115-S117 PolarHBondContact O-N 3.2Å; S117-V119 VanDerWaalsContact C-N 3.31Å; S117-V119 PolarHBondContact O-N 2.88Å; S117-F120 PolarHBondContact O-N 3.46Å; S117-Y121 WeakPolarHBondContact O-CD2 3.38Å; S117-Y121 PolarHBondContact O-N 3.1Å
118F95.5Very high92.6Very high79 Ų7943.3 Ų43.335%0.34624%0.241SC..Hα-helixtrans-58.3-43.6176.9172.3-108.9000111.9A87 A90 L91 F114 A115 V116 G122A87-F118 HydrophobicContact CB-CD2 4.18Å; A87-F118 HydrophobicContact CB-CE2 4.39Å; A87-F118 WeakPolarHBondContact O-CD2 3.29Å; A90-F118 HydrophobicContact CB-CB 4.27Å; L91-F118 HydrophobicContact CB-CD2 4Å; L91-F118 HydrophobicContact CB-CE2 4.2Å; L91-F118 HydrophobicContact CD1-CD1 4.25Å; L91-F118 HydrophobicContact CD1-CD2 4.25Å; L91-F118 HydrophobicContact CD1-CE1 4.11Å; L91-F118 HydrophobicContact CD1-CE2 4.11Å; L91-F118 HydrophobicContact CD1-CG 4.31Å; L91-F118 HydrophobicContact CD1-CZ 4.03Å; F114-F118 WeakPolarHBondContact O-CB 3.35Å; F114-F118 PolarHBondContact O-N 3.48Å; A115-F118 WeakPolarHBondContact O-CB 3.35Å; A115-F118 PolarHBondContact O-N 3.39Å; V116-F118 VanDerWaalsContact C-N 3.33Å; V116-F118 PolarHBondContact O-N 2.92Å; F118-G122 PolarHBondContact O-N 3.15Å
119V96.1Very high92.5Very high77 Ų7743.8 Ų43.847%0.46724%0.24SC..Hα-helixtrans-63.6-45176.8174.50000111.2A115 V116 S117 G122 I123A115-V119 WeakPolarHBondContact O-CG2 3.47Å; A115-V119 PolarHBondContact O-N 3.45Å; A115-V119 VanDerWaalsContact O-N 3.11Å; V116-V119 PolarHBondContact O-N 3.32Å; S117-V119 VanDerWaalsContact C-N 3.31Å; S117-V119 PolarHBondContact O-N 2.88Å; V119-G122 PolarHBondContact O-N 2.9Å; V119-I123 HydrophobicContact CG1-CD1 3.88Å; V119-I123 HydrophobicContact CG1-CG1 4.46Å; V119-I123 WeakPolarHBondContact O-CG1 3.3Å; V119-I123 PolarHBondContact O-N 3.17Å
120F95.1Very high92.3Very high47 Ų4743.7 Ų43.721%0.20624%0.237CC..Hα-helixtrans-64.5-46.1179.6-75.92.4000112.4F15 L18 E19 I22 V116 S117 G122 I123 D124F15-F120 HydrophobicContact CD1-CB 4.46Å; F15-F120 HydrophobicContact CD1-CG 4.44Å; F15-F120 HydrophobicContact CE1-CD1 4.19Å; F15-F120 HydrophobicContact CE1-CG 4.43Å; L18-F120 HydrophobicContact CB-CD2 4.07Å; L18-F120 HydrophobicContact CB-CE2 3.86Å; L18-F120 HydrophobicContact CD1-CE2 4.22Å; E19-F120 HydrophobicContact CG-CB 4.13Å; I22-F120 HydrophobicContact CD1-CD2 3.3Å; I22-F120 HydrophobicContact CD1-CE2 3.24Å; I22-F120 HydrophobicContact CD1-CG 4.39Å; I22-F120 HydrophobicContact CD1-CZ 4.31Å; V116-F120 HydrophobicContact CG1-CD2 4.48Å; V116-F120 HydrophobicContact CG1-CE1 4.31Å; V116-F120 HydrophobicContact CG1-CE2 4.2Å; V116-F120 HydrophobicContact CG1-CZ 4.1Å; V116-F120 PolarHBondContact O-N 3.11Å; S117-F120 PolarHBondContact O-N 3.46Å; F120-G122 PolarHBondContact O-N 3.31Å; F120-I123 PolarHBondContact O-N 3.31Å; F120-I123 VanDerWaalsContact O-N 3.15Å; F120-D124 PolarHBondContact O-N 3.48Å
121Y94.6Very high91.7Very high13 Ų1346.6 Ų46.65%0.05125%0.248CC..Hα-helixtrans-61.4-34.1173.4-68.4-51.3000112.2E19 G52 I83 C86 A87 A90 S117 T125E19-Y121 HydrophobicContact CB-CE1 4.16Å; E19-Y121 VanDerWaalsContact CD-CE1 3.41Å; E19-Y121 HydrophobicContact CG-CD1 4.04Å; E19-Y121 HydrophobicContact CG-CE1 3.85Å; E19-Y121 VanDerWaalsContact OE1-CD1 3.23Å; E19-Y121 WeakPolarHBondContact OE1-CD1 3.42Å; E19-Y121 WeakPolarHBondContact OE2-CE1 3.27Å; G52-Y121 VanDerWaalsContact CA-OH 3.32Å; G52-Y121 WeakPolarHBondContact CA-OH 3.35Å; I83-Y121 HydrophobicContact CG2-CD1 3.97Å; I83-Y121 HydrophobicContact CG2-CG 4.41Å; I83-Y121 WeakPolarHBondContact CG2-O 3.23Å; C86-Y121 HydrophobicContact CB-CD1 4.23Å; C86-Y121 HydrophobicContact CB-CD2 4.16Å; C86-Y121 HydrophobicContact CB-CE1 3.95Å; C86-Y121 HydrophobicContact CB-CE2 3.89Å; C86-Y121 HydrophobicContact CB-CG 4.33Å; A87-Y121 HydrophobicContact CB-CG 4.49Å; A90-Y121 HydrophobicContact CB-CD2 4.3Å; A90-Y121 HydrophobicContact CB-CE2 4.41Å; S117-Y121 WeakPolarHBondContact O-CD2 3.38Å; S117-Y121 PolarHBondContact O-N 3.1Å; Y121-T125 VanDerWaalsContact O-CB 3.27Å; Y121-T125 WeakPolarHBondContact O-CB 3.41Å; Y121-T125 PolarHBondContact O-N 3.48Å; Y121-T125 PolarHBondContact O-OG1 3.41Å
122G92.5Very high91.1Very high36 Ų3651.2 Ų51.237%0.37126%0.263SS..Hα-helixtrans-63.1-46173.800000112.8F118 V119 F120 T125 F126F118-G122 PolarHBondContact O-N 3.15Å; V119-G122 PolarHBondContact O-N 2.9Å; F120-G122 PolarHBondContact O-N 3.31Å; G122-T125 PolarHBondContact O-N 2.95Å; G122-F126 PolarHBondContact O-N 3.44Å; G122-F126 VanDerWaalsContact O-N 3.12Å
123I93.8Very high90.3Very high68 Ų6855.9 Ų55.935%0.34928%0.275SS..Hα-helixtrans-66.2-45176.9-64.3165.9000110.6F15 V119 F120 T125 F126 I127F15-I123 HydrophobicContact CE1-CB 4.08Å; F15-I123 HydrophobicContact CE1-CD1 4.27Å; F15-I123 HydrophobicContact CE1-CG2 3.8Å; F15-I123 HydrophobicContact CE2-CG2 3.96Å; F15-I123 HydrophobicContact CZ-CB 4.24Å; F15-I123 HydrophobicContact CZ-CD1 4.42Å; F15-I123 HydrophobicContact CZ-CG2 3.45Å; F15-I123 VanDerWaalsContact CZ-CG2 3.45Å; V119-I123 HydrophobicContact CG1-CD1 3.88Å; V119-I123 HydrophobicContact CG1-CG1 4.46Å; V119-I123 WeakPolarHBondContact O-CG1 3.3Å; V119-I123 PolarHBondContact O-N 3.17Å; F120-I123 PolarHBondContact O-N 3.31Å; F120-I123 VanDerWaalsContact O-N 3.15Å; I123-T125 VanDerWaalsContact C-N 3.32Å; I123-T125 PolarHBondContact O-N 3.3Å; I123-F126 WeakPolarHBondContact O-CB 3.34Å; I123-F126 PolarHBondContact O-N 2.9Å; I123-F126 VanDerWaalsContact O-N 3.08Å; I123-I127 HydrophobicContact CG2-CD1 3.82Å; I123-I127 HydrophobicContact CG2-CG1 4.36Å; I123-I127 WeakPolarHBondContact O-CG1 3.5Å; I123-I127 PolarHBondContact O-N 2.99Å
124D91.3Very high89.4Confident0 Ų060.1 Ų60.10%030%0.297CS..Hα-helixtrans-62.4-41.2178.7-168.724.1000111.3K16 E19 I83 F120 F126 I127 L128K16-D124 WeakPolarHBondContact CE-OD2 3.3Å; K16-D124 IonicContact NZ-OD2 3.63Å; K16-D124 PolarHBondContact NZ-OD2 3.33Å; E19-D124 WeakPolarHBondContact OE1-CB 3.34Å; I83-D124 VanDerWaalsContact CD1-OD2 3.3Å; I83-D124 WeakPolarHBondContact CD1-OD2 3.29Å; I83-D124 HydrophobicContact CG2-CB 4.45Å; F120-D124 PolarHBondContact O-N 3.48Å; D124-F126 VanDerWaalsContact C-N 3.29Å; D124-F126 PolarHBondContact O-N 3.45Å; D124-I127 PolarHBondContact O-N 3.39Å; D124-L128 VanDerWaalsContact O-CB 3.32Å; D124-L128 WeakPolarHBondContact O-CB 3.38Å; D124-L128 PolarHBondContact O-N 2.93Å
125T90.2Very high88.2Confident17 Ų1764.7 Ų64.710%0.10432%0.321CS..Hα-helixtrans-56.5-42.6172.2-61.50000111.9F80 I83 K84 Y121 G122 I123 F129F80-T125 HydrophobicContact CD2-CG2 3.92Å; F80-T125 HydrophobicContact CE2-CG2 3.39Å; F80-T125 HydrophobicContact CZ-CG2 4.13Å; I83-T125 VanDerWaalsContact CG2-OG1 3.25Å; I83-T125 WeakPolarHBondContact CG2-OG1 3.38Å; K84-T125 HydrophobicContact CD-CG2 4.32Å; K84-T125 HydrophobicContact CG-CG2 3.83Å; Y121-T125 VanDerWaalsContact O-CB 3.27Å; Y121-T125 WeakPolarHBondContact O-CB 3.41Å; Y121-T125 PolarHBondContact O-N 3.48Å; Y121-T125 PolarHBondContact O-OG1 3.41Å; G122-T125 PolarHBondContact O-N 2.95Å; I123-T125 VanDerWaalsContact C-N 3.32Å; I123-T125 PolarHBondContact O-N 3.3Å; T125-F129 WeakPolarHBondContact O-CB 3.27Å; T125-F129 PolarHBondContact O-N 3.27Å
126F90.1Very high86.8Confident141 Ų14165 Ų6562%0.61833%0.327SS*.Hα-helixtrans-68.4-41.8179-179.8-98.1000112.5G122 I123 D124 F129 S130G122-F126 PolarHBondContact O-N 3.44Å; G122-F126 VanDerWaalsContact O-N 3.12Å; I123-F126 WeakPolarHBondContact O-CB 3.34Å; I123-F126 PolarHBondContact O-N 2.9Å; I123-F126 VanDerWaalsContact O-N 3.08Å; D124-F126 VanDerWaalsContact C-N 3.29Å; D124-F126 PolarHBondContact O-N 3.45Å; F126-F129 PolarHBondContact O-N 3.02Å; F126-S130 WeakPolarHBondContact O-CB 3.19Å; F126-S130 PolarHBondContact O-N 2.87Å; F126-S130 PolarHBondContact O-OG 3.31Å
127I88.6Confident85.3Confident35 Ų3562.7 Ų62.718%0.17932%0.315CS..Hα-helixtrans-62.4-47.5176.1-67.9168.1000110.1L11 F15 I123 D124 F129 S130 Y131L11-I127 HydrophobicContact CD2-CD1 3.8Å; L11-I127 HydrophobicContact CG-CD1 4.19Å; F15-I127 HydrophobicContact CD2-CD1 3.79Å; F15-I127 HydrophobicContact CE2-CD1 3.7Å; I123-I127 HydrophobicContact CG2-CD1 3.82Å; I123-I127 HydrophobicContact CG2-CG1 4.36Å; I123-I127 WeakPolarHBondContact O-CG1 3.5Å; I123-I127 PolarHBondContact O-N 2.99Å; D124-I127 PolarHBondContact O-N 3.39Å; I127-F129 PolarHBondContact O-N 2.89Å; I127-S130 PolarHBondContact O-N 3.25Å; I127-Y131 PolarHBondContact O-N 3.46Å
128L86.5Confident83.8Confident1 Ų163.4 Ų63.41%0.00532%0.317CS..Hα-helixtrans-62.7-41.7179.1179.361000111.8T76 E79 F80 I83 D124 Y131 Y132 Y138T76-L128 HydrophobicContact CG2-CD1 3.96Å; E79-L128 HydrophobicContact CB-CD2 4.02Å; E79-L128 HydrophobicContact CG-CD2 3.76Å; F80-L128 VanDerWaalsContact CA-CD2 3.47Å; F80-L128 HydrophobicContact CB-CD2 3.69Å; F80-L128 HydrophobicContact CB-CG 4.38Å; F80-L128 HydrophobicContact CD2-CD2 4.24Å; F80-L128 HydrophobicContact CD2-CG 4.43Å; F80-L128 HydrophobicContact CG-CD2 4.5Å; I83-L128 HydrophobicContact CD1-CD2 3.66Å; D124-L128 VanDerWaalsContact O-CB 3.32Å; D124-L128 WeakPolarHBondContact O-CB 3.38Å; D124-L128 PolarHBondContact O-N 2.93Å; L128-Y131 PolarHBondContact O-N 3.5Å; L128-Y132 WeakPolarHBondContact O-CB 3.29Å; L128-Y132 PolarHBondContact O-N 3.36Å; L128-Y138 HydrophobicContact CD1-CE2 4.47Å
129F85.7Confident81.8Confident100 Ų10065.1 Ų65.144%0.43933%0.334SS..Hα-helixtrans-62.8-43.6174.6-178.7-104.5000112.3F80 T125 F126 I127 Y131 Y132 R133F80-F129 HydrophobicContact CE2-CB 4.01Å; F80-F129 HydrophobicContact CE2-CD2 4.34Å; F80-F129 HydrophobicContact CZ-CD2 4.37Å; T125-F129 WeakPolarHBondContact O-CB 3.27Å; T125-F129 PolarHBondContact O-N 3.27Å; F126-F129 PolarHBondContact O-N 3.02Å; I127-F129 PolarHBondContact O-N 2.89Å; F129-Y131 VanDerWaalsContact C-N 3.31Å; F129-Y131 PolarHBondContact O-N 2.87Å; F129-Y132 PolarHBondContact O-N 2.88Å; F129-R133 WeakPolarHBondContact O-CB 3.2Å; F129-R133 PolarHBondContact O-N 3.43Å
130S84.5Confident79.5Confident38 Ų3864.2 Ų64.227%0.26633%0.327SS..Hα-helixtrans-61.4-42.1177.1-60.30000111.2F126 I127 R133 L134F126-S130 WeakPolarHBondContact O-CB 3.19Å; F126-S130 PolarHBondContact O-N 2.87Å; F126-S130 PolarHBondContact O-OG 3.31Å; I127-S130 PolarHBondContact O-N 3.25Å; S130-R133 PolarHBondContact O-N 2.76Å; S130-L134 WeakPolarHBondContact O-CB 3.36Å; S130-L134 VanDerWaalsContact O-CG 3.31Å; S130-L134 WeakPolarHBondContact O-CG 3.2Å; S130-L134 PolarHBondContact O-N 2.98Å
131Y78.5Confident77.2Confident61 Ų6166 Ų6624%0.23934%0.338CS..Hα-helixtrans-64.5-43.9174.9-174-92.3000112.5R12 I127 L128 F129 R133 L134 N135 Y138R12-Y131 VanDerWaalsContact NH2-CB 3.31Å; I127-Y131 PolarHBondContact O-N 3.46Å; L128-Y131 PolarHBondContact O-N 3.5Å; F129-Y131 VanDerWaalsContact C-N 3.31Å; F129-Y131 PolarHBondContact O-N 2.87Å; Y131-R133 VanDerWaalsContact C-N 3.31Å; Y131-R133 PolarHBondContact O-N 3.48Å; Y131-L134 PolarHBondContact O-N 3.12Å; Y131-N135 VanDerWaalsContact CD2-ND2 3.34Å; Y131-N135 WeakPolarHBondContact CD2-ND2 3.33Å; Y131-N135 HydrophobicContact CE1-CB 4.34Å; Y131-N135 WeakPolarHBondContact CE2-ND2 3.19Å; Y131-N135 WeakPolarHBondContact O-CB 3.47Å; Y131-N135 PolarHBondContact O-N 2.88Å; Y131-Y138 HydrophobicContact CD1-CE1 4.37Å; Y131-Y138 AromaticContact CE1-CD1 3.91Å; Y131-Y138 HydrophobicContact CE1-CD1 3.91Å; Y131-Y138 AromaticContact CE1-CE1 3.59Å; Y131-Y138 HydrophobicContact CE1-CE1 3.59Å
132Y79Confident75Confident110 Ų11071 Ų7143%0.43137%0.372SS..Hα-helixtrans-59.8-42.1176-178.8-99.3000111.6T76 L128 F129 G136 G137T76-Y132 HydrophobicContact CG2-CD2 4.42Å; L128-Y132 WeakPolarHBondContact O-CB 3.29Å; L128-Y132 PolarHBondContact O-N 3.36Å; F129-Y132 PolarHBondContact O-N 2.88Å; Y132-G136 CarbonylContact O-C 3.57Å; Y132-G136 WeakPolarHBondContact O-CA 3.48Å; Y132-G136 PolarHBondContact O-N 3.24Å; Y132-G137 PolarHBondContact O-N 3.49Å
133R77.9Confident72.7Confident200 Ų20075.4 Ų75.476%0.75538%0.382SS*.Hα-helixtrans-68.2-39.3178.8-175.1179.1174.9179.7-0.6113.2F129 S130 Y131F129-R133 WeakPolarHBondContact O-CB 3.2Å; F129-R133 PolarHBondContact O-N 3.43Å; S130-R133 PolarHBondContact O-N 2.76Å; Y131-R133 VanDerWaalsContact C-N 3.31Å; Y131-R133 PolarHBondContact O-N 3.48Å
134L75.5Confident70.5Confident141 Ų14179.2 Ų79.274%0.73840%0.401SS*.Hα-helixtrans-80-39.4-176.8-69.7171.2000112.7S130 Y131S130-L134 WeakPolarHBondContact O-CB 3.36Å; S130-L134 VanDerWaalsContact O-CG 3.31Å; S130-L134 WeakPolarHBondContact O-CG 3.2Å; S130-L134 PolarHBondContact O-N 2.98Å; Y131-L134 PolarHBondContact O-N 3.12Å
135N70.8Confident68Low100 Ų10086.9 Ų86.954%0.53543%0.434SS..Hα-helixtrans-111.5-2.2-171-62.5-24.9000113.7Y131 G137Y131-N135 VanDerWaalsContact CD2-ND2 3.34Å; Y131-N135 WeakPolarHBondContact CD2-ND2 3.33Å; Y131-N135 HydrophobicContact CE1-CB 4.34Å; Y131-N135 WeakPolarHBondContact CE2-ND2 3.19Å; Y131-N135 WeakPolarHBondContact O-CB 3.47Å; Y131-N135 PolarHBondContact O-N 2.88Å; N135-G137 PolarHBondContact O-N 3.47Å
136G65.4Low65.5Low38 Ų3894.4 Ų94.439%0.39247%0.468SS..  trans75.88.1-17500000114.2Y132 V139Y132-G136 CarbonylContact O-C 3.57Å; Y132-G136 WeakPolarHBondContact O-CA 3.48Å; Y132-G136 PolarHBondContact O-N 3.24Å; G136-V139 WeakPolarHBondContact O-CG2 3.33Å
137G64.8Low63Low9 Ų997.3 Ų97.39%0.09348%0.475CS..SBendtrans86.1-164.5-175.700000114Y132 N135 V139Y132-G137 PolarHBondContact O-N 3.49Å; N135-G137 PolarHBondContact O-N 3.47Å; G137-V139 PolarHBondContact O-N 2.84Å; G137-V139 VanDerWaalsContact O-N 3.09Å
138Y63.9Low60.7Low20 Ų20100.5 Ų100.58%0.07850%0.498CS..SBendtrans-84.436.5-179.5-58.1-58000111.4R12 H63 I68 V75 T76 L128 Y131 N140R12-Y138 PolarHBondContact NH1-OH 2.92Å; H63-Y138 AromaticContact CD2-CZ 3.8Å; H63-Y138 PolarHBondContact CD2-OH 2.86Å; H63-Y138 AromaticContact NE2-CE2 3.33Å; H63-Y138 VanDerWaalsContact NE2-CE2 3.33Å; H63-Y138 WeakPolarHBondContact NE2-CE2 3.4Å; H63-Y138 AromaticContact NE2-CZ 3.15Å; H63-Y138 PolarHBondContact NE2-OH 2.93Å; I68-Y138 HydrophobicContact CD1-CD1 3.96Å; I68-Y138 HydrophobicContact CD1-CD2 3.27Å; I68-Y138 HydrophobicContact CD1-CE1 4.11Å; I68-Y138 HydrophobicContact CD1-CE2 3.5Å; I68-Y138 VanDerWaalsContact CD1-CE2 3.5Å; I68-Y138 HydrophobicContact CD1-CG 3.55Å; I68-Y138 HydrophobicContact CG1-CD2 4.08Å; I68-Y138 HydrophobicContact CG1-CG 4.03Å; V75-Y138 HydrophobicContact CB-CD2 4.27Å; V75-Y138 HydrophobicContact CG1-CD2 4.47Å; T76-Y138 HydrophobicContact CG2-CD1 4.37Å; T76-Y138 HydrophobicContact CG2-CD2 3.1Å; T76-Y138 HydrophobicContact CG2-CE2 3.29Å; T76-Y138 HydrophobicContact CG2-CG 3.68Å; T76-Y138 PolarHBondContact OG1-N 3.27Å; L128-Y138 HydrophobicContact CD1-CE2 4.47Å; Y131-Y138 HydrophobicContact CD1-CE1 4.37Å; Y131-Y138 AromaticContact CE1-CD1 3.91Å; Y131-Y138 HydrophobicContact CE1-CD1 3.91Å; Y131-Y138 AromaticContact CE1-CE1 3.59Å; Y131-Y138 HydrophobicContact CE1-CE1 3.59Å; Y138-N140 PolarHBondContact O-N 3.04Å
139V53.5Low58.6Low115 Ų115108 Ų10870%0.69754%0.538SS*.  trans-57.6118.9-178.2177.70000107.2G136 G137 D141G136-V139 WeakPolarHBondContact O-CG2 3.33Å; G137-V139 PolarHBondContact O-N 2.84Å; G137-V139 VanDerWaalsContact O-N 3.09Å; V139-D141 PolarHBondContact O-N 3.42Å
140N46.9Very low56.6Low58 Ų58109 Ų10931%0.3155%0.547SS..SBendtrans-51.777.8-173-79.2-68.9000112.7I71 G73 Y138I71-N140 PolarHBondContact O-ND2 3.38Å; I71-N140 PolarHBondContact O-OD1 3.07Å; G73-N140 PolarHBondContact N-ND2 3.44Å; Y138-N140 PolarHBondContact O-N 3.04Å
141D47.6Very low54.4Low84 Ų84111.6 Ų111.645%0.44956%0.563SS.*  trans-143.3108.3169.8-130.6-26.7000112.5V139 K143 I144V139-D141 PolarHBondContact O-N 3.42Å; D141-K143 PolarHBondContact O-N 3.45Å; D141-K143 WeakPolarHBondContact OD1-CB 3.32Å; D141-K143 PolarHBondContact OD1-N 2.88Å; D141-I144 PolarHBondContact O-N 3.26Å
142P47.2Very low52.6Low119 Ų119113.8 Ų113.877%0.77358%0.584SS**THydrogen-bonded Turntrans-59-9.415621.8-24.9000111.1
143K44.5Very low50.7Low129 Ų129117.7 Ų117.756%0.56160%0.604SS**THydrogen-bonded Turntrans-98.454.9172-60.4-169.2-178.7172.90114.2D141 K145 Q146D141-K143 PolarHBondContact O-N 3.45Å; D141-K143 WeakPolarHBondContact OD1-CB 3.32Å; D141-K143 PolarHBondContact OD1-N 2.88Å; K143-K145 VanDerWaalsContact C-C 3.46Å; K143-K145 HydrophobicContact CB-CB 3.77Å; K143-K145 WeakPolarHBondContact CB-O 3.39Å; K143-K145 HydrophobicContact CD-CB 4.35Å; K143-K145 HydrophobicContact CG-CB 3.89Å; K143-K145 HydrophobicContact CG-CD 4.3Å; K143-K145 HydrophobicContact CG-CG 4.34Å; K143-K145 CarbonylContact O-C 2.87Å; K143-K145 PolarHBondContact O-N 3.3Å; K143-K145 VanDerWaalsContact O-N 3.15Å; K143-K145 VanDerWaalsContact O-O 3.06Å; K143-Q146 PolarHBondContact O-N 2.75Å
144I48.8Very low49Very low148 Ų148113.6 Ų113.676%0.75960%0.601SS**  -59.410126.3-68.3175.1000111.4D141 Q146D141-I144 PolarHBondContact O-N 3.26Å; I144-Q146 PolarHBondContact O-N 3.31Å
145K38.1Very low47.4Very low160 Ų160113.4 Ų113.470%0.69660%0.6SS**  -67.961.6125.2-57.8-172.6178.1-169.80110.9K143K143-K145 VanDerWaalsContact C-C 3.46Å; K143-K145 HydrophobicContact CB-CB 3.77Å; K143-K145 WeakPolarHBondContact CB-O 3.39Å; K143-K145 HydrophobicContact CD-CB 4.35Å; K143-K145 HydrophobicContact CG-CB 3.89Å; K143-K145 HydrophobicContact CG-CD 4.3Å; K143-K145 HydrophobicContact CG-CG 4.34Å; K143-K145 CarbonylContact O-C 2.87Å; K143-K145 PolarHBondContact O-N 3.3Å; K143-K145 VanDerWaalsContact O-N 3.15Å; K143-K145 VanDerWaalsContact O-O 3.06Å
146Q37.1Very low45.9Very low176 Ų176117.6 Ų117.682%0.82262%0.617SS**SBend-166.4112.793.8-92.9161.2-13.400104.9K143 I144K143-Q146 PolarHBondContact O-N 2.75Å; I144-Q146 PolarHBondContact O-N 3.31Å
147R38.5Very low44.6Very low202 Ų202121 Ų12176%0.76263%0.63SS**  trans-34.8133.1157.1-82.4179.8177.6-136-1108.7N149R147-N149 PolarHBondContact O-N 3.47Å
148P41Very low43.4Very low101 Ų101126 Ų12666%0.65666%0.663SS**  trans-49.2139.1157.2-12.425.1000106I150P148-I150 PolarHBondContact O-N 2.94Å
149N42.3Very low42.3Very low159 Ų159134.3 Ų134.385%0.8570%0.703SS**  trans-59.563.4-177.8-147.6-14.8000111R147 P151R147-N149 PolarHBondContact O-N 3.47Å; N149-P151 WeakPolarHBondContact O-CD 3.47Å
150I42.7Very low41.7Very low122 Ų122132.8 Ų132.863%0.62670%0.702SS**  trans-81.4100.6167.1-59.8167.7000101.3P148P148-I150 PolarHBondContact O-N 2.94Å
151P38.3Very low41.5Very low92 Ų92138 Ų13860%0.59773%0.728SS**  trans-50.6137.7172.721.5-31.7000106.7N149 K153N149-P151 WeakPolarHBondContact O-CD 3.47Å; P151-K153 PolarHBondContact O-N 3.27Å
152P41.1Very low41.2Very low106 Ų106140 Ų14069%0.68874%0.744SS**  trans-45.5127.4175.319.5-30.6000106.5V154P152-V154 PolarHBondContact O-N 3.37Å
153K38.7Very low41.1Very low193 Ų193139.5 Ų139.584%0.83974%0.74SS**  trans-54.396.2167.2-132.9-178.8-177.4-175.20103.2P151 N155P151-K153 PolarHBondContact O-N 3.27Å; K153-N155 VanDerWaalsContact C-N 3.28Å; K153-N155 PolarHBondContact O-N 2.93Å
154V42.3Very low41.2Very low114 Ų114138.2 Ų138.269%0.69175%0.745SS**  trans-60.3109.3174.5172.60000101.1P152 Q156P152-V154 PolarHBondContact O-N 3.37Å; V154-Q156 PolarHBondContact O-N 3.06Å
155N41.8Very low41Very low137 Ų137140.3 Ų140.373%0.73375%0.752SS**  trans-58.193.3167.9-74.7-27.5000104.1K153 T157K153-N155 VanDerWaalsContact C-N 3.28Å; K153-N155 PolarHBondContact O-N 2.93Å; N155-T157 PolarHBondContact O-N 3.31Å
156Q38.8Very low41.3Very low188 Ų188142.3 Ų142.388%0.87976%0.757SS**  trans-65.378.7162.7-72.7179.7-36.200104.5V154V154-Q156 PolarHBondContact O-N 3.06Å
157T38.9Very low41.9Very low110 Ų110139 Ų13968%0.67575%0.751SS**  trans-127.481.8172.9-41.30000105.7N155N155-T157 PolarHBondContact O-N 3.31Å
158S40Very low42.4Very low112 Ų112137.1 Ų137.178%0.78376%0.755SS**  trans54.374.8147.5-51.10000115.9A160S158-A160 PolarHBondContact O-N 3.28Å
159E40.5Very low42.9Very low195 Ų195138.2 Ų138.291%0.91176%0.76SS**  trans-68.3112.4150.4-82.6-174.6159.200107.9I161E159-I161 PolarHBondContact O-N 3.44Å
160A41.4Very low42.8Very low83 Ų83133.4 Ų133.469%0.68675%0.748SS**  trans-53.1120173.600000109.3S158 T162S158-A160 PolarHBondContact O-N 3.28Å; A160-T162 PolarHBondContact O-N 3.42Å
161I42.1Very low42.9Very low168 Ų168136.4 Ų136.486%0.86276%0.757SS**  trans-58.8101.1172.3-58.9169000106.8E159E159-I161 PolarHBondContact O-N 3.44Å
162T40.6Very low43.2Very low126 Ų126141.5 Ų141.577%0.77377%0.773SS**PPolyproline II helixtrans-80.3127.21728.10000107.4A160A160-T162 PolarHBondContact O-N 3.42Å
163P44.7Very low43.1Very low108 Ų108144.9 Ų144.970%0.70178%0.777SS**PPolyproline II helixtrans-67.1149.1-174.520.2-26.3000112.2E165P163-E165 PolarHBondContact O-N 3.5Å
164P47.2Very low43.2Very low102 Ų102148.8 Ų148.866%0.66280%0.798SS**PPolyproline II helixtrans-65.4126.5-173.824.6-32.7000111.8Y166P164-Y166 HydrophobicContact CG-CE2 4.49Å; P164-Y166 WeakPolarHBondContact O-CD2 3.44Å; P164-Y166 PolarHBondContact O-N 2.81Å
165E44.8Very low43.2Very low193 Ų193150.5 Ų150.590%0.90280%0.803SS**  trans-74.9110.9173.8-165.5160.8-166.400108.8P163P163-E165 PolarHBondContact O-N 3.5Å
166Y45.3Very low43.3Very low202 Ų202151.2 Ų151.279%0.79281%0.807SS**  trans-75.3125.5-179.6-79-93.1000110.1P164 N168P164-Y166 HydrophobicContact CG-CE2 4.49Å; P164-Y166 WeakPolarHBondContact O-CD2 3.44Å; P164-Y166 PolarHBondContact O-N 2.81Å; Y166-N168 PolarHBondContact O-N 3.08Å
167P49Very low43.5Very low107 Ų107149.2 Ų149.270%0.69580%0.803SS**  trans-65.9119.817523.8-30.1000110.1V169P167-V169 WeakPolarHBondContact O-CG2 3.42Å; P167-V169 PolarHBondContact O-N 3.19Å
168N49.5Very low43.8Very low161 Ų161151.5 Ų151.586%0.86181%0.811SS**  trans-69.980.1171.8-172.1-0.4000108.8Y166 G170Y166-N168 PolarHBondContact O-N 3.08Å; N168-G170 VanDerWaalsContact C-N 3.33Å; N168-G170 PolarHBondContact O-N 3.42Å
169V51Low44Very low124 Ų124153.9 Ų153.975%0.75281%0.812SS**  trans-71.395.7172.9-115.50000107.5P167 F171P167-V169 WeakPolarHBondContact O-CG2 3.42Å; P167-V169 PolarHBondContact O-N 3.19Å; V169-F171 PolarHBondContact O-N 3.37Å
170G41.2Very low44.3Very low59 Ų59151.2 Ų151.261%0.60881%0.806SS**  trans-53.6122.417400000110.5N168 E172N168-G170 VanDerWaalsContact C-N 3.33Å; N168-G170 PolarHBondContact O-N 3.42Å; G170-E172 VanDerWaalsContact C-N 3.27Å; G170-E172 PolarHBondContact O-N 3.26Å
171F42.9Very low44.5Very low185 Ų185156.1 Ų156.181%0.81181%0.814SS**  trans-7084.8162.8-80-95.2000108.4V169 K173V169-F171 PolarHBondContact O-N 3.37Å; F171-K173 VanDerWaalsContact C-N 3.27Å; F171-K173 PolarHBondContact O-N 2.91Å; F171-K173 VanDerWaalsContact O-N 3.1Å
172E45.2Very low44.6Very low199 Ų199155.2 Ų155.293%0.9381%0.811SS**  trans-77.389.6158.5-83.2174.6147.200107.4G170G170-E172 VanDerWaalsContact C-N 3.27Å; G170-E172 PolarHBondContact O-N 3.26Å
173K39.8Very low45Very low176 Ų176157.6 Ų157.677%0.76581%0.814SS**  trans-90.9108.7160-77.8-179176.11770106.9F171F171-K173 VanDerWaalsContact C-N 3.27Å; F171-K173 PolarHBondContact O-N 2.91Å; F171-K173 VanDerWaalsContact O-N 3.1Å
174E39.3Very low45Very low275 Ų275162.1 Ų162.1100%1.28582%0.824SS**  trans-169.50138.9-105.3175.9179.900110.3

Retrieved 174 of 174 residues in 129.9 ms (Link to these results)

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