14332_SCHMA Loading...

14-3-3 protein homolog 2

AlphaFold DB , UniProt , Accession Q26537, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 214 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
1S47Very low86.2Confident169 Ų16993 Ų93100%1.18251%0.508SS*.  01230-45.40000108.3
2N63.6Low87.1Confident128 Ų12894.7 Ų94.768%0.68452%0.515SS*.  trans-111.142.3-162.7-152.331.6000112.9K77N2-K77 WeakPolarHBondContact OD1-CE 3.48Å; N2-K77 PolarHBondContact OD1-NZ 3.37Å
3N83.6Confident87.8Confident134 Ų13490.5 Ų90.572%0.71749%0.492SS*.PPolyproline II helixtrans-89.4149.3-173.9-63.3-7.6000111.3
4E92.2Very high88.5Confident55 Ų5586.1 Ų86.126%0.25747%0.471SS..PPolyproline II helixtrans-59.7142.3164.9-174.4173.6-176.200109.2A78 T79 S83E4-A78 WeakPolarHBondContact OE1-CA 3.18Å; E4-T79 PolarHBondContact OE1-N 3.15Å; E4-T79 WeakPolarHBondContact OE2-CB 3.41Å; E4-T79 WeakPolarHBondContact OE2-CG2 3.42Å; E4-T79 PolarHBondContact OE2-N 2.91Å; E4-T79 VanDerWaalsContact OE2-N 3.15Å; E4-T79 PolarHBondContact OE2-OG1 3.46Å; E4-S83 WeakPolarHBondContact OE1-CB 3.15Å; E4-S83 PolarHBondContact OE1-OG 3.26Å
5L94.4Very high89Confident50 Ų5085.7 Ų85.726%0.26247%0.472SS..PPolyproline II helixtrans-66.4141.3175.2-63.4-176.2000110E9 R10 L13 L74L5-E9 HydrophobicContact CB-CB 4.06Å; L5-E9 HydrophobicContact CD2-CB 4.21Å; L5-R10 HydrophobicContact CB-CB 4.4Å; L5-L13 HydrophobicContact CD1-CD2 4Å; L5-L74 HydrophobicContact CD1-CD2 3.66Å; L5-L74 HydrophobicContact CG-CD2 4.08Å
6T94.7Very high89.6Confident78 Ų7883.5 Ų83.548%0.47947%0.469SS..PPolyproline II helixtrans-63.8162.3167.361.10000110.9E8 E9 R10T6-E8 PolarHBondContact O-N 3.28Å; T6-E9 WeakPolarHBondContact CB-OE2 3.37Å; T6-E9 WeakPolarHBondContact CG2-OE2 3.25Å; T6-E9 PolarHBondContact N-OE2 3.18Å; T6-E9 PolarHBondContact O-N 2.87Å; T6-E9 WeakPolarHBondContact OG1-CB 3.5Å; T6-E9 VanDerWaalsContact OG1-CD 3.3Å; T6-E9 VanDerWaalsContact OG1-CG 3.25Å; T6-E9 WeakPolarHBondContact OG1-CG 3.43Å; T6-E9 PolarHBondContact OG1-N 3.44Å; T6-E9 PolarHBondContact OG1-OE2 2.95Å; T6-R10 VanDerWaalsContact O-CB 3.27Å; T6-R10 WeakPolarHBondContact O-CB 3.38Å; T6-R10 PolarHBondContact O-N 2.92Å
7N92Very high90.1Very high82 Ų8281.1 Ų81.144%0.43945%0.451SS..Hα-helixtrans-55.8-37.7175.9-76.6-13.8000112.2R10 N11N7-R10 VanDerWaalsContact OD1-CZ 3.3Å; N7-R10 PolarHBondContact OD1-NH1 3.32Å; N7-R10 PolarHBondContact OD1-NH2 3.08Å; N7-R10 VanDerWaalsContact OD1-NH2 3.17Å; N7-N11 VanDerWaalsContact O-CB 3.32Å; N7-N11 WeakPolarHBondContact O-CB 3.37Å; N7-N11 PolarHBondContact O-N 3.15Å; N7-N11 PolarHBondContact O-ND2 2.63Å; N7-N11 PolarHBondContact O-OD1 3.29Å
8E94.3Very high90.4Very high146 Ų14684.1 Ų84.168%0.68246%0.458SS*.Hα-helixtrans-69.1-48.1178.6-172.4163.3179.900112.1T6 R10 N11 L12T6-E8 PolarHBondContact O-N 3.28Å; E8-R10 VanDerWaalsContact C-N 3.33Å; E8-R10 PolarHBondContact O-N 3.36Å; E8-N11 PolarHBondContact O-N 3.37Å; E8-L12 HydrophobicContact CG-CD1 4.23Å; E8-L12 WeakPolarHBondContact O-CB 3.28Å; E8-L12 WeakPolarHBondContact O-CG 3.31Å; E8-L12 PolarHBondContact O-N 3.37Å
9E96.1Very high90.8Very high96 Ų9685.2 Ų85.245%0.44946%0.464SS..Hα-helixtrans-60.9-42.6176.2-71165.8138.400111.9L5 T6 L12 L13L5-E9 HydrophobicContact CB-CB 4.06Å; L5-E9 HydrophobicContact CD2-CB 4.21Å; T6-E9 WeakPolarHBondContact CB-OE2 3.37Å; T6-E9 WeakPolarHBondContact CG2-OE2 3.25Å; T6-E9 PolarHBondContact N-OE2 3.18Å; T6-E9 PolarHBondContact O-N 2.87Å; T6-E9 WeakPolarHBondContact OG1-CB 3.5Å; T6-E9 VanDerWaalsContact OG1-CD 3.3Å; T6-E9 VanDerWaalsContact OG1-CG 3.25Å; T6-E9 WeakPolarHBondContact OG1-CG 3.43Å; T6-E9 PolarHBondContact OG1-N 3.44Å; T6-E9 PolarHBondContact OG1-OE2 2.95Å; E9-L12 PolarHBondContact O-N 3.24Å; E9-L13 WeakPolarHBondContact O-CB 3.39Å; E9-L13 PolarHBondContact O-N 3.45Å
10R96.2Very high91.1Very high9 Ų984.4 Ų84.43%0.03446%0.462CS..Hα-helixtrans-59.9-45.3175.8-179.9-175.475.6-160.1-3.9111.5L5 T6 N7 E8 S14 S83 F86 Y87L5-R10 HydrophobicContact CB-CB 4.4Å; T6-R10 VanDerWaalsContact O-CB 3.27Å; T6-R10 WeakPolarHBondContact O-CB 3.38Å; T6-R10 PolarHBondContact O-N 2.92Å; N7-R10 VanDerWaalsContact OD1-CZ 3.3Å; N7-R10 PolarHBondContact OD1-NH1 3.32Å; N7-R10 PolarHBondContact OD1-NH2 3.08Å; N7-R10 VanDerWaalsContact OD1-NH2 3.17Å; E8-R10 VanDerWaalsContact C-N 3.33Å; E8-R10 PolarHBondContact O-N 3.36Å; R10-S14 WeakPolarHBondContact O-CB 3.3Å; R10-S14 PolarHBondContact O-N 3.19Å; R10-S83 PolarHBondContact NH1-OG 3.38Å; R10-F86 VanDerWaalsContact CD-CD1 3.4Å; R10-F86 HydrophobicContact CG-CD1 3.56Å; R10-F86 HydrophobicContact CG-CE1 3.35Å; R10-F86 HydrophobicContact CG-CE2 4.35Å; R10-F86 HydrophobicContact CG-CG 4.16Å; R10-F86 HydrophobicContact CG-CZ 3.78Å; R10-Y87 HydrophobicContact CG-CE1 3.65Å; R10-Y87 WeakPolarHBondContact CG-OH 3.27Å
11N94.4Very high91.5Very high76 Ų7680.4 Ų80.441%0.40644%0.44SS..Hα-helixtrans-67-42.9179.1-73.3-12.4000111.4N7 E8 L13 S14 V15N7-N11 VanDerWaalsContact O-CB 3.32Å; N7-N11 WeakPolarHBondContact O-CB 3.37Å; N7-N11 PolarHBondContact O-N 3.15Å; N7-N11 PolarHBondContact O-ND2 2.63Å; N7-N11 PolarHBondContact O-OD1 3.29Å; E8-N11 PolarHBondContact O-N 3.37Å; N11-L13 PolarHBondContact O-N 3.02Å; N11-S14 PolarHBondContact O-N 3.27Å; N11-V15 WeakPolarHBondContact O-CG2 3.32Å; N11-V15 PolarHBondContact O-N 3.04Å
12L97.1Very high93.9Very high113 Ų11373.4 Ų73.459%0.59240%0.395SS*.Hα-helixtrans-60.1-46175.7-73.7170.8000111.9E8 E9 S14 V15 A16E8-L12 HydrophobicContact CG-CD1 4.23Å; E8-L12 WeakPolarHBondContact O-CB 3.28Å; E8-L12 WeakPolarHBondContact O-CG 3.31Å; E8-L12 PolarHBondContact O-N 3.37Å; E9-L12 PolarHBondContact O-N 3.24Å; L12-S14 VanDerWaalsContact C-N 3.34Å; L12-S14 PolarHBondContact O-N 3.14Å; L12-V15 PolarHBondContact O-N 3.44Å; L12-A16 WeakPolarHBondContact O-CB 3.36Å; L12-A16 PolarHBondContact O-N 3.42Å
13L96.6Very high95.5Very high41 Ų4169.6 Ų69.622%0.21538%0.381CS..Hα-helixtrans-57.5-47.6175.4-175.874.7000111.3L5 E9 N11 A16 Y17 L69 L74L5-L13 HydrophobicContact CD1-CD2 4Å; E9-L13 WeakPolarHBondContact O-CB 3.39Å; E9-L13 PolarHBondContact O-N 3.45Å; N11-L13 PolarHBondContact O-N 3.02Å; L13-A16 PolarHBondContact O-N 3.06Å; L13-Y17 HydrophobicContact CD1-CD2 3.93Å; L13-Y17 HydrophobicContact CD1-CE2 3.59Å; L13-Y17 HydrophobicContact CG-CD2 4.1Å; L13-Y17 HydrophobicContact CG-CE2 4.2Å; L13-Y17 WeakPolarHBondContact O-CD2 3.25Å; L13-Y17 PolarHBondContact O-N 2.6Å; L13-Y17 VanDerWaalsContact O-N 3.14Å; L13-L69 HydrophobicContact CD1-CD2 4.13Å; L13-L69 HydrophobicContact CD2-CD2 3.96Å; L13-L74 HydrophobicContact CD2-CD1 3.58Å
14S96.5Very high96.2Very high29 Ų2967.3 Ų67.320%0.20336%0.362CS..Hα-helixtrans-63-46.7-179.9-173.80000112.1R10 N11 L12 A16 Y17 K18R10-S14 WeakPolarHBondContact O-CB 3.3Å; R10-S14 PolarHBondContact O-N 3.19Å; N11-S14 PolarHBondContact O-N 3.27Å; L12-S14 VanDerWaalsContact C-N 3.34Å; L12-S14 PolarHBondContact O-N 3.14Å; S14-A16 PolarHBondContact O-N 3.21Å; S14-Y17 PolarHBondContact O-N 2.71Å; S14-K18 WeakPolarHBondContact O-CB 3.32Å; S14-K18 PolarHBondContact O-N 2.94Å
15V97.1Very high96.5Very high79 Ų7966.2 Ų66.248%0.47936%0.356SS..Hα-helixtrans-62.4-44.1178.5170.20000111.1N11 L12 K18 N19N11-V15 WeakPolarHBondContact O-CG2 3.32Å; N11-V15 PolarHBondContact O-N 3.04Å; L12-V15 PolarHBondContact O-N 3.44Å; V15-K18 PolarHBondContact O-N 3.26Å; V15-N19 WeakPolarHBondContact O-CB 3.33Å; V15-N19 VanDerWaalsContact O-CG 3.24Å; V15-N19 PolarHBondContact O-N 3.23Å; V15-N19 PolarHBondContact O-ND2 2.99Å
16A97.8Very high96.6Very high51 Ų5167 Ų6742%0.42137%0.365SS..Hα-helixtrans-57.8-54.1178.800000111.4L12 L13 S14 K18 N19 V20L12-A16 WeakPolarHBondContact O-CB 3.36Å; L12-A16 PolarHBondContact O-N 3.42Å; L13-A16 PolarHBondContact O-N 3.06Å; S14-A16 PolarHBondContact O-N 3.21Å; A16-K18 PolarHBondContact O-N 3Å; A16-N19 PolarHBondContact O-N 3.3Å; A16-V20 WeakPolarHBondContact O-CG2 3.48Å; A16-V20 PolarHBondContact O-N 3.17Å
17Y98Very high96.8Very high43 Ų4365.9 Ų65.917%0.16936%0.361CS..Hα-helixtrans-70-33.2180-78.2-69.2000113.2L13 S14 N19 V20 V21 I62 E65 V66 L69 Y94L13-Y17 HydrophobicContact CD1-CD2 3.93Å; L13-Y17 HydrophobicContact CD1-CE2 3.59Å; L13-Y17 HydrophobicContact CG-CD2 4.1Å; L13-Y17 HydrophobicContact CG-CE2 4.2Å; L13-Y17 WeakPolarHBondContact O-CD2 3.25Å; L13-Y17 PolarHBondContact O-N 2.6Å; L13-Y17 VanDerWaalsContact O-N 3.14Å; S14-Y17 PolarHBondContact O-N 2.71Å; Y17-N19 VanDerWaalsContact C-N 3.31Å; Y17-N19 PolarHBondContact O-N 3.49Å; Y17-V20 PolarHBondContact O-N 3.17Å; Y17-V21 WeakPolarHBondContact O-CB 3.49Å; Y17-V21 VanDerWaalsContact O-CG1 3.29Å; Y17-V21 WeakPolarHBondContact O-CG1 3.25Å; Y17-V21 PolarHBondContact O-N 3.28Å; Y17-I62 HydrophobicContact CD1-CG2 4.45Å; Y17-E65 PolarHBondContact OH-OE1 2.84Å; Y17-E65 VanDerWaalsContact OH-OE1 3.13Å; Y17-V66 HydrophobicContact CD1-CG2 3.32Å; Y17-V66 HydrophobicContact CD2-CG2 3.9Å; Y17-V66 HydrophobicContact CE1-CG2 3.56Å; Y17-V66 HydrophobicContact CE2-CG2 4.11Å; Y17-V66 HydrophobicContact CG-CG2 3.51Å; Y17-L69 HydrophobicContact CE2-CD2 4.08Å; Y17-Y94 WeakPolarHBondContact CB-OH 3.44Å; Y17-Y94 PolarHBondContact O-OH 2.92Å
18K96.6Very high97.1Very high134 Ų13463.9 Ų63.958%0.58335%0.347SS*.Hα-helixtrans-60-42174.4-178.5-177.7177.1-175.90111.3S14 V15 A16 G22S14-K18 WeakPolarHBondContact O-CB 3.32Å; S14-K18 PolarHBondContact O-N 2.94Å; V15-K18 PolarHBondContact O-N 3.26Å; A16-K18 PolarHBondContact O-N 3Å; K18-G22 WeakPolarHBondContact O-CA 3.46Å; K18-G22 PolarHBondContact O-N 2.9Å
19N97.3Very high97.2Very high105 Ų10561.7 Ų61.756%0.56133%0.332SS*.Hα-helixtrans-66.7-44.9178.9-71.9-19.2000111.6V15 A16 Y17 A23V15-N19 WeakPolarHBondContact O-CB 3.33Å; V15-N19 VanDerWaalsContact O-CG 3.24Å; V15-N19 PolarHBondContact O-N 3.23Å; V15-N19 PolarHBondContact O-ND2 2.99Å; A16-N19 PolarHBondContact O-N 3.3Å; Y17-N19 VanDerWaalsContact C-N 3.31Å; Y17-N19 PolarHBondContact O-N 3.49Å; N19-A23 WeakPolarHBondContact O-CB 3.46Å; N19-A23 PolarHBondContact O-N 3.27Å
20V97.4Very high97.3Very high70 Ų7061.4 Ų61.442%0.42434%0.337SS..Hα-helixtrans-64.9-49.9-179.9178.10000111.2A16 Y17 A23 R24 I62A16-V20 WeakPolarHBondContact O-CG2 3.48Å; A16-V20 PolarHBondContact O-N 3.17Å; Y17-V20 PolarHBondContact O-N 3.17Å; V20-A23 PolarHBondContact O-N 2.87Å; V20-R24 PolarHBondContact O-N 3.41Å; V20-I62 HydrophobicContact CG1-CD1 3.68Å; V20-I62 HydrophobicContact CG1-CG1 4.24Å
21V98Very high97.3Very high1 Ų162 Ų621%0.00634%0.341CS..Hα-helixtrans-67.2-38179.980.20000111.5Y17 A23 R24 R25 L59 I62 Y94 Y97Y17-V21 WeakPolarHBondContact O-CB 3.49Å; Y17-V21 VanDerWaalsContact O-CG1 3.29Å; Y17-V21 WeakPolarHBondContact O-CG1 3.25Å; Y17-V21 PolarHBondContact O-N 3.28Å; V21-A23 PolarHBondContact O-N 3.33Å; V21-R24 PolarHBondContact O-N 3.27Å; V21-R25 WeakPolarHBondContact O-CG 3.48Å; V21-R25 PolarHBondContact O-N 3.42Å; V21-L59 HydrophobicContact CG2-CD1 3.41Å; V21-L59 VanDerWaalsContact CG2-CD1 3.41Å; V21-I62 HydrophobicContact CB-CG2 4.23Å; V21-I62 HydrophobicContact CG2-CG2 4.37Å; V21-Y94 HydrophobicContact CB-CE1 4.07Å; V21-Y94 HydrophobicContact CG1-CE1 4.11Å; V21-Y94 HydrophobicContact CG2-CE1 3.97Å; V21-Y97 HydrophobicContact CG1-CD2 4.09Å; V21-Y97 HydrophobicContact CG1-CE2 3.83Å; V21-Y97 HydrophobicContact CG2-CD2 3.82Å; V21-Y97 HydrophobicContact CG2-CE2 4.41Å; V21-Y97 HydrophobicContact CG2-CG 4.47Å
22G97.6Very high97.3Very high22 Ų2259 Ų5923%0.22733%0.326CS..Hα-helixtrans-63.2-41177.500000112.7K18 R25 S26K18-G22 WeakPolarHBondContact O-CA 3.46Å; K18-G22 PolarHBondContact O-N 2.9Å; G22-R25 PolarHBondContact O-N 3.25Å; G22-S26 WeakPolarHBondContact O-CB 3.48Å; G22-S26 PolarHBondContact O-N 2.81Å; G22-S26 PolarHBondContact O-OG 3.46Å
23A97.8Very high97.2Very high48 Ų4855.6 Ų55.640%0.39731%0.312SS..Hα-helixtrans-62-43.8174.900000111.2N19 V20 V21 S26 S27N19-A23 WeakPolarHBondContact O-CB 3.46Å; N19-A23 PolarHBondContact O-N 3.27Å; V20-A23 PolarHBondContact O-N 2.87Å; V21-A23 PolarHBondContact O-N 3.33Å; A23-S26 PolarHBondContact O-N 2.97Å; A23-S27 PolarHBondContact O-N 3.02Å; A23-S27 PolarHBondContact O-OG 2.88Å
24R98Very high97.1Very high85 Ų8557.4 Ų57.432%0.32132%0.321SS..Hα-helixtrans-65.9-44177.6-70.8-59.9-176.1-86.69.7113.3V20 V21 S26 S27 W28 I55 E58 L59 I62V20-R24 PolarHBondContact O-N 3.41Å; V21-R24 PolarHBondContact O-N 3.27Å; R24-S26 VanDerWaalsContact C-N 3.28Å; R24-S26 PolarHBondContact O-N 3.26Å; R24-S27 PolarHBondContact O-N 3.32Å; R24-W28 WeakPolarHBondContact O-CB 3.32Å; R24-W28 PolarHBondContact O-N 3.16Å; R24-I55 WeakPolarHBondContact O-CG2 3.48Å; R24-E58 IonicContact CZ-OE2 3.71Å; R24-E58 VanDerWaalsContact CZ-OE2 3.22Å; R24-E58 IonicContact NE-OE2 3.69Å; R24-E58 PolarHBondContact NE-OE2 3.32Å; R24-E58 IonicContact NH2-OE2 2.68Å; R24-E58 PolarHBondContact NH2-OE2 3.06Å; R24-L59 HydrophobicContact CB-CB 4.42Å; R24-L59 HydrophobicContact CB-CD1 3.97Å; R24-I62 HydrophobicContact CG-CD1 3.84Å
25R97.9Very high96.9Very high32 Ų3257.6 Ų57.612%0.12132%0.318CS..Hα-helixtrans-60-39.7174.5-72.4175.866-125.513.8111.9V21 G22 W28 R29 L59 Y97 E100V21-R25 WeakPolarHBondContact O-CG 3.48Å; V21-R25 PolarHBondContact O-N 3.42Å; G22-R25 PolarHBondContact O-N 3.25Å; R25-W28 PolarHBondContact O-N 3.12Å; R25-R29 WeakPolarHBondContact O-CG 3.49Å; R25-R29 PolarHBondContact O-N 2.86Å; R25-L59 HydrophobicContact CG-CD1 3.76Å; R25-L59 HydrophobicContact CG-CD2 4.04Å; R25-Y97 VanDerWaalsContact CD-CD1 3.49Å; R25-Y97 VanDerWaalsContact NE-CD1 3.28Å; R25-E100 IonicContact CZ-OE1 3.68Å; R25-E100 VanDerWaalsContact CZ-OE1 3.32Å; R25-E100 IonicContact CZ-OE2 3.75Å; R25-E100 IonicContact NE-OE1 3.92Å; R25-E100 PolarHBondContact NE-OE1 2.67Å; R25-E100 IonicContact NE-OE2 3.88Å; R25-E100 PolarHBondContact NE-OE2 2.92Å; R25-E100 VanDerWaalsContact NH2-CD 3.27Å; R25-E100 IonicContact NH2-OE1 3.59Å; R25-E100 PolarHBondContact NH2-OE1 2.87Å; R25-E100 IonicContact NH2-OE2 3.17Å; R25-E100 PolarHBondContact NH2-OE2 2.86Å
26S98Very high96.5Very high67 Ų6761.4 Ų61.447%0.46933%0.331SS..Hα-helixtrans-65-48.2177.2-56.50000111.4G22 A23 R24 W28 R29 V30G22-S26 WeakPolarHBondContact O-CB 3.48Å; G22-S26 PolarHBondContact O-N 2.81Å; G22-S26 PolarHBondContact O-OG 3.46Å; A23-S26 PolarHBondContact O-N 2.97Å; R24-S26 VanDerWaalsContact C-N 3.28Å; R24-S26 PolarHBondContact O-N 3.26Å; S26-W28 VanDerWaalsContact C-N 3.3Å; S26-W28 PolarHBondContact O-N 3.42Å; S26-R29 PolarHBondContact O-N 2.93Å; S26-V30 WeakPolarHBondContact O-CG2 3.38Å; S26-V30 PolarHBondContact O-N 3.06Å; S26-V30 VanDerWaalsContact O-N 3.14Å
27S97.9Very high96.1Very high54 Ų5466.4 Ų66.438%0.37834%0.343SS..Hα-helixtrans-59.2-41.7174.7-61.90000112.3A23 R24 V30 I31A23-S27 PolarHBondContact O-N 3.02Å; A23-S27 PolarHBondContact O-OG 2.88Å; R24-S27 PolarHBondContact O-N 3.32Å; S27-V30 PolarHBondContact O-N 3.13Å; S27-I31 WeakPolarHBondContact O-CG2 3.42Å; S27-I31 PolarHBondContact O-N 3.15Å
28W98Very high95.4Very high41 Ų4165.7 Ų65.716%0.15534%0.343CS..Hα-helixtrans-60.4-49.7177.2178.576.5000111.8R24 R25 S26 V30 I31 S32 I55 E56 E100 V101R24-W28 WeakPolarHBondContact O-CB 3.32Å; R24-W28 PolarHBondContact O-N 3.16Å; R25-W28 PolarHBondContact O-N 3.12Å; S26-W28 VanDerWaalsContact C-N 3.3Å; S26-W28 PolarHBondContact O-N 3.42Å; W28-V30 VanDerWaalsContact C-N 3.3Å; W28-V30 PolarHBondContact O-N 3.42Å; W28-I31 VanDerWaalsContact O-CG2 3.3Å; W28-I31 WeakPolarHBondContact O-CG2 3.28Å; W28-I31 PolarHBondContact O-N 2.94Å; W28-S32 PolarHBondContact NE1-OG 2.97Å; W28-S32 WeakPolarHBondContact O-CB 3.39Å; W28-S32 PolarHBondContact O-N 2.75Å; W28-S32 PolarHBondContact O-OG 3.48Å; W28-I55 HydrophobicContact CB-CG2 3.72Å; W28-E56 VanDerWaalsContact CD1-CG 3.46Å; W28-E56 VanDerWaalsContact NE1-CG 3.32Å; W28-E56 PolarHBondContact NE1-OE1 3.39Å; W28-E100 VanDerWaalsContact CH2-O 3.24Å; W28-E100 WeakPolarHBondContact CH2-O 3.44Å; W28-E100 HydrophobicContact CZ3-CB 4.44Å; W28-V101 HydrophobicContact CD2-CG1 3.8Å; W28-V101 HydrophobicContact CE3-CG1 4.25Å; W28-V101 HydrophobicContact CG-CG1 4.23Å; W28-V101 HydrophobicContact CH2-CG1 4.24Å; W28-V101 HydrophobicContact CZ2-CB 4.5Å; W28-V101 HydrophobicContact CZ2-CG1 3.8Å; W28-V101 HydrophobicContact CZ3-CG1 4.45Å
29R97.1Very high94.6Very high99 Ų9967.7 Ų67.737%0.37436%0.355SS..Hα-helixtrans-57.8-42.8177.6-72.9-174.5-1788712.4112.4R25 S26 S33 E100R25-R29 WeakPolarHBondContact O-CG 3.49Å; R25-R29 PolarHBondContact O-N 2.86Å; S26-R29 PolarHBondContact O-N 2.93Å; R29-S33 PolarHBondContact O-N 3.09Å; R29-E100 IonicContact CZ-OE2 3.4Å; R29-E100 IonicContact NH2-OE1 3.87Å; R29-E100 IonicContact NH2-OE2 2.67Å; R29-E100 PolarHBondContact NH2-OE2 3.34Å
30V97.3Very high93.8Very high91 Ų9167.1 Ų67.155%0.55237%0.373SS*.Hα-helixtrans-63.5-49.8179.3172.50000110.7S26 S27 W28 S33 I34S26-V30 WeakPolarHBondContact O-CG2 3.38Å; S26-V30 PolarHBondContact O-N 3.06Å; S26-V30 VanDerWaalsContact O-N 3.14Å; S27-V30 PolarHBondContact O-N 3.13Å; W28-V30 VanDerWaalsContact C-N 3.3Å; W28-V30 PolarHBondContact O-N 3.42Å; V30-S33 PolarHBondContact O-N 3.19Å; V30-I34 HydrophobicContact CG1-CD1 3.95Å; V30-I34 WeakPolarHBondContact O-CG1 3.4Å; V30-I34 PolarHBondContact O-N 3.42Å
31I96.7Very high93.3Very high20 Ų2065.6 Ų65.610%0.10337%0.366CS..Hα-helixtrans-68.7-37.7-177.8-164.168.3000112.2S27 W28 S33 I34 E35 A48 Y51 R52 I55S27-I31 WeakPolarHBondContact O-CG2 3.42Å; S27-I31 PolarHBondContact O-N 3.15Å; W28-I31 VanDerWaalsContact O-CG2 3.3Å; W28-I31 WeakPolarHBondContact O-CG2 3.28Å; W28-I31 PolarHBondContact O-N 2.94Å; I31-S33 VanDerWaalsContact C-N 3.28Å; I31-S33 PolarHBondContact O-N 2.83Å; I31-I34 HydrophobicContact CD1-CB 4.45Å; I31-I34 HydrophobicContact CD1-CD1 4.38Å; I31-I34 PolarHBondContact O-N 3.1Å; I31-I34 VanDerWaalsContact O-N 3.12Å; I31-E35 PolarHBondContact O-N 3.15Å; I31-A48 HydrophobicContact CD1-CB 4.17Å; I31-A48 HydrophobicContact CG1-CB 4.46Å; I31-A48 WeakPolarHBondContact CG1-O 3.26Å; I31-Y51 HydrophobicContact CB-CD1 4.38Å; I31-Y51 HydrophobicContact CD1-CD1 3.85Å; I31-Y51 HydrophobicContact CG1-CD1 3.86Å; I31-R52 HydrophobicContact CG1-CB 4.43Å; I31-R52 HydrophobicContact CG2-CB 3.77Å; I31-R52 HydrophobicContact CG2-CG 4.11Å; I31-I55 HydrophobicContact CB-CD1 4.49Å; I31-I55 HydrophobicContact CG2-CD1 3.88Å
32S95.1Very high92.9Very high15 Ų1573.7 Ų73.711%0.10540%0.404CS..Hα-helixtrans-60.5-39.4174.3-630000111.4W28 E35 Q36 R52W28-S32 PolarHBondContact NE1-OG 2.97Å; W28-S32 WeakPolarHBondContact O-CB 3.39Å; W28-S32 PolarHBondContact O-N 2.75Å; W28-S32 PolarHBondContact O-OG 3.48Å; S32-E35 PolarHBondContact O-N 3.04Å; S32-Q36 VanDerWaalsContact O-CG 3.32Å; S32-Q36 WeakPolarHBondContact O-CG 3.3Å; S32-Q36 PolarHBondContact O-N 2.9Å; S32-Q36 VanDerWaalsContact O-N 3.15Å; S32-R52 WeakPolarHBondContact OG-CD 3.42Å
33S94.8Very high92.6Very high41 Ų4182 Ų8229%0.28743%0.428SS..Hα-helixtrans-67-38.4174.2-1670000112.6R29 V30 I31 Q36 K37R29-S33 PolarHBondContact O-N 3.09Å; V30-S33 PolarHBondContact O-N 3.19Å; I31-S33 VanDerWaalsContact C-N 3.28Å; I31-S33 PolarHBondContact O-N 2.83Å; S33-Q36 PolarHBondContact O-N 3.04Å; S33-K37 WeakPolarHBondContact O-CB 3.48Å; S33-K37 WeakPolarHBondContact O-CG 3.49Å; S33-K37 PolarHBondContact O-N 3.46Å; S33-K37 VanDerWaalsContact O-N 3.09Å; S33-K37 PolarHBondContact OG-NZ 3.31Å
34I93.9Very high92.4Very high79 Ų7986.3 Ų86.341%0.40544%0.438SS..Hα-helixtrans-65.2-45.4175.7-69.1167.2000110.6V30 I31 Q36 K37 T38 A48V30-I34 HydrophobicContact CG1-CD1 3.95Å; V30-I34 WeakPolarHBondContact O-CG1 3.4Å; V30-I34 PolarHBondContact O-N 3.42Å; I31-I34 HydrophobicContact CD1-CB 4.45Å; I31-I34 HydrophobicContact CD1-CD1 4.38Å; I31-I34 PolarHBondContact O-N 3.1Å; I31-I34 VanDerWaalsContact O-N 3.12Å; I34-Q36 VanDerWaalsContact C-N 3.28Å; I34-Q36 PolarHBondContact O-N 3.27Å; I34-K37 PolarHBondContact O-N 3.5Å; I34-T38 WeakPolarHBondContact O-CB 3.22Å; I34-T38 PolarHBondContact O-N 3.26Å; I34-T38 PolarHBondContact O-OG1 2.79Å; I34-A48 HydrophobicContact CG2-CB 4.35Å
35E91.9Very high92.1Very high33 Ų3386.7 Ų86.715%0.15444%0.444CS..Hα-helixtrans-56.7-43.8177.8-176.4-178.6172.400111.3I31 S32 A48 K49 R52I31-E35 PolarHBondContact O-N 3.15Å; S32-E35 PolarHBondContact O-N 3.04Å; E35-A48 HydrophobicContact CB-CB 3.85Å; E35-A48 HydrophobicContact CG-CB 4.32Å; E35-K49 HydrophobicContact CG-CB 4.48Å; E35-K49 WeakPolarHBondContact OE1-CB 3.43Å; E35-R52 IonicContact OE1-NE 3.21Å; E35-R52 IonicContact OE1-NH2 3.68Å; E35-R52 WeakPolarHBondContact OE2-CD 3.15Å; E35-R52 IonicContact OE2-CZ 3.97Å; E35-R52 IonicContact OE2-NE 2.76Å; E35-R52 PolarHBondContact OE2-NE 3.46Å; E35-R52 IonicContact OE2-NH2 3.74Å
36Q89Confident91.9Very high159 Ų15989.7 Ų89.774%0.74346%0.459SS*.Hα-helixtrans-68-35.9178.2-72.1173.2-5.800113.6S32 S33 I34S32-Q36 VanDerWaalsContact O-CG 3.32Å; S32-Q36 WeakPolarHBondContact O-CG 3.3Å; S32-Q36 PolarHBondContact O-N 2.9Å; S32-Q36 VanDerWaalsContact O-N 3.15Å; S33-Q36 PolarHBondContact O-N 3.04Å; I34-Q36 VanDerWaalsContact C-N 3.28Å; I34-Q36 PolarHBondContact O-N 3.27Å
37K90.5Very high91.8Very high155 Ų15591.9 Ų91.967%0.67446%0.463SS*.Hα-helixtrans-91.1-8.6-175.8-69.1172.7178.81670114.1S33 I34 E39S33-K37 WeakPolarHBondContact O-CB 3.48Å; S33-K37 WeakPolarHBondContact O-CG 3.49Å; S33-K37 PolarHBondContact O-N 3.46Å; S33-K37 VanDerWaalsContact O-N 3.09Å; S33-K37 PolarHBondContact OG-NZ 3.31Å; I34-K37 PolarHBondContact O-N 3.5Å; K37-E39 VanDerWaalsContact C-N 3.35Å; K37-E39 PolarHBondContact O-N 3.23Å
38T83.5Confident91.7Very high28 Ų2889.5 Ų89.517%0.17245%0.447CS..  trans-79.385.9-179.6-62.50000109.6I34 K44 Q45I34-T38 WeakPolarHBondContact O-CB 3.22Å; I34-T38 PolarHBondContact O-N 3.26Å; I34-T38 PolarHBondContact O-OG1 2.79Å; T38-K44 HydrophobicContact CG2-CB 3.45Å; T38-K44 VanDerWaalsContact CG2-CB 3.45Å; T38-K44 HydrophobicContact CG2-CD 4.36Å; T38-Q45 HydrophobicContact CG2-CB 4.5Å
39E79.6Confident91.6Very high177 Ų17791.2 Ų91.283%0.82746%0.455SS*.  trans-86.1150173.4-64.4-178.3-178.300111.7K37 S41K37-E39 VanDerWaalsContact C-N 3.35Å; K37-E39 PolarHBondContact O-N 3.23Å; E39-S41 VanDerWaalsContact C-N 3.3Å; E39-S41 PolarHBondContact O-N 2.6Å
40G80.4Confident91.6Very high92 Ų9290.5 Ų90.595%0.94846%0.459SS*.SBendtrans75.14.9167.200000116.9
41S86.3Confident91.6Very high39 Ų3992.2 Ų92.227%0.27346%0.456SS..  trans-139.893.9174.4-173.40000112E39 R43 K44 Q45E39-S41 VanDerWaalsContact C-N 3.3Å; E39-S41 PolarHBondContact O-N 2.6Å; S41-R43 PolarHBondContact O-N 3.21Å; S41-K44 PolarHBondContact O-N 3.34Å; S41-Q45 PolarHBondContact O-N 2.93Å
42E89.6Confident91.6Very high170 Ų17093.1 Ų93.179%0.79446%0.459SS*.Hα-helixtrans-51.1-40.9176.4-66-179.8169.700112K44 Q45 Q46E42-K44 PolarHBondContact O-N 3.45Å; E42-Q45 PolarHBondContact O-N 3.02Å; E42-Q46 WeakPolarHBondContact O-CB 3.34Å; E42-Q46 PolarHBondContact O-N 2.9Å
43R92.3Very high91.7Very high198 Ų19896.4 Ų96.475%0.74747%0.472SS*.Hα-helixtrans-60.4-46.3177.5-177.7-179.9174.9-178.80.9112.5S41 M47S41-R43 PolarHBondContact O-N 3.21Å; R43-M47 HydrophobicContact CG-SD 4.28Å; R43-M47 VanDerWaalsContact O-CG 3.28Å; R43-M47 WeakPolarHBondContact O-CG 3.41Å; R43-M47 PolarHBondContact O-N 2.91Å
44K91.9Very high91.9Very high137 Ų137100.2 Ų100.260%0.59648%0.483SS*.Hα-helixtrans-69.8-38.6-179.7-71.4-179.2178.31790111T38 S41 E42 M47 A48T38-K44 HydrophobicContact CG2-CB 3.45Å; T38-K44 VanDerWaalsContact CG2-CB 3.45Å; T38-K44 HydrophobicContact CG2-CD 4.36Å; S41-K44 PolarHBondContact O-N 3.34Å; E42-K44 PolarHBondContact O-N 3.45Å; K44-M47 PolarHBondContact O-N 2.95Å; K44-A48 WeakPolarHBondContact O-CB 3.48Å; K44-A48 PolarHBondContact O-N 3.4Å
45Q92.9Very high92.1Very high94 Ų9496.6 Ų96.644%0.43947%0.465SS..Hα-helixtrans-61.6-45.8175.9-170.117919.100111.1T38 S41 E42 M47 A48 K49T38-Q45 HydrophobicContact CG2-CB 4.5Å; S41-Q45 PolarHBondContact O-N 2.93Å; E42-Q45 PolarHBondContact O-N 3.02Å; Q45-M47 PolarHBondContact O-N 2.85Å; Q45-A48 PolarHBondContact O-N 3.38Å; Q45-K49 WeakPolarHBondContact O-CB 3.41Å; Q45-K49 PolarHBondContact O-N 3.18Å
46Q94.2Very high92.4Very high94 Ų9496.4 Ų96.444%0.43946%0.464SS..Hα-helixtrans-62.4-43.4176.1-171.561.351.300112E42 A48 K49 D50E42-Q46 WeakPolarHBondContact O-CB 3.34Å; E42-Q46 PolarHBondContact O-N 2.9Å; Q46-A48 VanDerWaalsContact C-N 3.33Å; Q46-A48 PolarHBondContact O-N 2.94Å; Q46-K49 WeakPolarHBondContact O-CB 3.1Å; Q46-K49 PolarHBondContact O-N 3.39Å; Q46-D50 PolarHBondContact NE2-OD1 2.82Å; Q46-D50 PolarHBondContact O-N 3.42Å
47M95.1Very high92.8Very high113 Ų11394.9 Ų94.956%0.55746%0.455SS*.Hα-helixtrans-61.4-40.5175.9-73175.764.500112.6R43 K44 Q45 Y51R43-M47 HydrophobicContact CG-SD 4.28Å; R43-M47 VanDerWaalsContact O-CG 3.28Å; R43-M47 WeakPolarHBondContact O-CG 3.41Å; R43-M47 PolarHBondContact O-N 2.91Å; K44-M47 PolarHBondContact O-N 2.95Å; Q45-M47 PolarHBondContact O-N 2.85Å; M47-Y51 WeakPolarHBondContact O-CB 3.43Å; M47-Y51 PolarHBondContact O-N 3.02Å; M47-Y51 VanDerWaalsContact O-N 3.12Å
48A95.3Very high93.2Very high5 Ų590.1 Ų90.14%0.04144%0.435CS..Hα-helixtrans-64.9-44176.800000111.1I31 I34 E35 K44 Q45 Q46 Y51 R52I31-A48 HydrophobicContact CD1-CB 4.17Å; I31-A48 HydrophobicContact CG1-CB 4.46Å; I31-A48 WeakPolarHBondContact CG1-O 3.26Å; I34-A48 HydrophobicContact CG2-CB 4.35Å; E35-A48 HydrophobicContact CB-CB 3.85Å; E35-A48 HydrophobicContact CG-CB 4.32Å; K44-A48 WeakPolarHBondContact O-CB 3.48Å; K44-A48 PolarHBondContact O-N 3.4Å; Q45-A48 PolarHBondContact O-N 3.38Å; Q46-A48 VanDerWaalsContact C-N 3.33Å; Q46-A48 PolarHBondContact O-N 2.94Å; A48-Y51 PolarHBondContact O-N 3.43Å; A48-R52 WeakPolarHBondContact O-CB 3.47Å; A48-R52 PolarHBondContact O-N 3.49Å
49K95.6Very high93.9Very high77 Ų7788.8 Ų88.834%0.33543%0.427SS..Hα-helixtrans-59-51.8175-178.4179.5174.1-178.10112.4E35 Q45 Q46 Y51 R52 E53E35-K49 HydrophobicContact CG-CB 4.48Å; E35-K49 WeakPolarHBondContact OE1-CB 3.43Å; Q45-K49 WeakPolarHBondContact O-CB 3.41Å; Q45-K49 PolarHBondContact O-N 3.18Å; Q46-K49 WeakPolarHBondContact O-CB 3.1Å; Q46-K49 PolarHBondContact O-N 3.39Å; K49-Y51 PolarHBondContact O-N 3.05Å; K49-R52 WeakPolarHBondContact O-CB 3.41Å; K49-R52 PolarHBondContact O-N 3.38Å; K49-R52 VanDerWaalsContact O-N 3.13Å; K49-E53 WeakPolarHBondContact CE-OE1 3.35Å; K49-E53 WeakPolarHBondContact O-CG 3.27Å; K49-E53 PolarHBondContact O-N 3.01Å
50D97.1Very high94.8Very high84 Ų8482.5 Ų82.545%0.44940%0.397SS..Hα-helixtrans-58.4-39.1179.9-66.4-15.4000111.2Q46 K54Q46-D50 PolarHBondContact NE2-OD1 2.82Å; Q46-D50 PolarHBondContact O-N 3.42Å; D50-K54 PolarHBondContact O-N 3.02Å; D50-K54 VanDerWaalsContact O-N 3.09Å
51Y97.4Very high95.6Very high127 Ų12781.9 Ų81.950%0.49837%0.372SS..Hα-helixtrans-73.4-37.7177.9-164.5-115.9000112.7I31 M47 A48 K49 K54 I55I31-Y51 HydrophobicContact CB-CD1 4.38Å; I31-Y51 HydrophobicContact CD1-CD1 3.85Å; I31-Y51 HydrophobicContact CG1-CD1 3.86Å; M47-Y51 WeakPolarHBondContact O-CB 3.43Å; M47-Y51 PolarHBondContact O-N 3.02Å; M47-Y51 VanDerWaalsContact O-N 3.12Å; A48-Y51 PolarHBondContact O-N 3.43Å; K49-Y51 PolarHBondContact O-N 3.05Å; Y51-K54 PolarHBondContact O-N 3.32Å; Y51-I55 HydrophobicContact CD1-CD1 3.71Å; Y51-I55 HydrophobicContact CE1-CD1 3.49Å; Y51-I55 VanDerWaalsContact CE1-CD1 3.49Å; Y51-I55 HydrophobicContact CE1-CG1 4.33Å; Y51-I55 HydrophobicContact CG-CD1 4.47Å; Y51-I55 WeakPolarHBondContact O-CG1 3.48Å; Y51-I55 PolarHBondContact O-N 2.91Å
52R97.2Very high96.2Very high39 Ų3981 Ų8115%0.14736%0.364CS..Hα-helixtrans-57.4-52.1171.2-178.8-173.353.974.88.9110.6I31 S32 E35 A48 K49 K54 I55 E56I31-R52 HydrophobicContact CG1-CB 4.43Å; I31-R52 HydrophobicContact CG2-CB 3.77Å; I31-R52 HydrophobicContact CG2-CG 4.11Å; S32-R52 WeakPolarHBondContact OG-CD 3.42Å; E35-R52 IonicContact OE1-NE 3.21Å; E35-R52 IonicContact OE1-NH2 3.68Å; E35-R52 WeakPolarHBondContact OE2-CD 3.15Å; E35-R52 IonicContact OE2-CZ 3.97Å; E35-R52 IonicContact OE2-NE 2.76Å; E35-R52 PolarHBondContact OE2-NE 3.46Å; E35-R52 IonicContact OE2-NH2 3.74Å; A48-R52 WeakPolarHBondContact O-CB 3.47Å; A48-R52 PolarHBondContact O-N 3.49Å; K49-R52 WeakPolarHBondContact O-CB 3.41Å; K49-R52 PolarHBondContact O-N 3.38Å; K49-R52 VanDerWaalsContact O-N 3.13Å; R52-K54 VanDerWaalsContact C-N 3.28Å; R52-K54 PolarHBondContact O-N 3.5Å; R52-I55 PolarHBondContact O-N 3.48Å; R52-E56 HydrophobicContact CG-CG 4.39Å; R52-E56 WeakPolarHBondContact CG-OE1 3.35Å; R52-E56 IonicContact CZ-OE1 4Å; R52-E56 IonicContact NE-OE1 2.68Å; R52-E56 IonicContact NH1-OE1 2.67Å; R52-E56 PolarHBondContact NH1-OE1 3.34Å; R52-E56 IonicContact NH1-OE2 3.32Å; R52-E56 PolarHBondContact NH1-OE2 3Å; R52-E56 WeakPolarHBondContact O-CG 3.37Å; R52-E56 PolarHBondContact O-N 3.01Å
53E97.5Very high96.6Very high84 Ų8473 Ų7339%0.39333%0.326SS..Hα-helixtrans-61.6-36.1-179.1-70.8177-179.400112K49 E56 K57K49-E53 WeakPolarHBondContact CE-OE1 3.35Å; K49-E53 WeakPolarHBondContact O-CG 3.27Å; K49-E53 PolarHBondContact O-N 3.01Å; E53-E56 PolarHBondContact O-N 3.18Å; E53-K57 PolarHBondContact O-N 3.01Å
54K98.2Very high96.9Very high120 Ų12067.5 Ų67.552%0.52231%0.309SS..Hα-helixtrans-61.8-46.7171.6-176.4179.2177.4179.70112.1D50 Y51 R52 E56 K57 E58D50-K54 PolarHBondContact O-N 3.02Å; D50-K54 VanDerWaalsContact O-N 3.09Å; Y51-K54 PolarHBondContact O-N 3.32Å; R52-K54 VanDerWaalsContact C-N 3.28Å; R52-K54 PolarHBondContact O-N 3.5Å; K54-E56 VanDerWaalsContact C-N 3.33Å; K54-K57 PolarHBondContact O-N 3.28Å; K54-E58 VanDerWaalsContact CE-OE1 3.29Å; K54-E58 WeakPolarHBondContact CE-OE1 3.37Å; K54-E58 WeakPolarHBondContact O-CG 3.3Å; K54-E58 PolarHBondContact O-N 2.87Å; K54-E58 VanDerWaalsContact O-N 3.08Å
55I98.1Very high97.2Very high4 Ų466.2 Ų66.22%0.02131%0.305CS..Hα-helixtrans-64.7-40.1178.2-68.1163.7000110.8R24 W28 I31 Y51 R52 K57 E58 L59R24-I55 WeakPolarHBondContact O-CG2 3.48Å; W28-I55 HydrophobicContact CB-CG2 3.72Å; I31-I55 HydrophobicContact CB-CD1 4.49Å; I31-I55 HydrophobicContact CG2-CD1 3.88Å; Y51-I55 HydrophobicContact CD1-CD1 3.71Å; Y51-I55 HydrophobicContact CE1-CD1 3.49Å; Y51-I55 VanDerWaalsContact CE1-CD1 3.49Å; Y51-I55 HydrophobicContact CE1-CG1 4.33Å; Y51-I55 HydrophobicContact CG-CD1 4.47Å; Y51-I55 WeakPolarHBondContact O-CG1 3.48Å; Y51-I55 PolarHBondContact O-N 2.91Å; R52-I55 PolarHBondContact O-N 3.48Å; I55-K57 VanDerWaalsContact C-N 3.33Å; I55-K57 PolarHBondContact O-N 3.5Å; I55-E58 PolarHBondContact O-N 3.4Å; I55-L59 WeakPolarHBondContact O-CB 3.4Å; I55-L59 PolarHBondContact O-N 3.26Å
56E98Very high97.5Very high28 Ų2861.8 Ų61.813%0.13129%0.285CS..Hα-helixtrans-59.6-44.9175.8-72.3174.7175.900111.3W28 R52 E53 K54 E58 L59 K60 V101W28-E56 VanDerWaalsContact CD1-CG 3.46Å; W28-E56 VanDerWaalsContact NE1-CG 3.32Å; W28-E56 PolarHBondContact NE1-OE1 3.39Å; R52-E56 HydrophobicContact CG-CG 4.39Å; R52-E56 WeakPolarHBondContact CG-OE1 3.35Å; R52-E56 IonicContact CZ-OE1 4Å; R52-E56 IonicContact NE-OE1 2.68Å; R52-E56 IonicContact NH1-OE1 2.67Å; R52-E56 PolarHBondContact NH1-OE1 3.34Å; R52-E56 IonicContact NH1-OE2 3.32Å; R52-E56 PolarHBondContact NH1-OE2 3Å; R52-E56 WeakPolarHBondContact O-CG 3.37Å; R52-E56 PolarHBondContact O-N 3.01Å; E53-E56 PolarHBondContact O-N 3.18Å; K54-E56 VanDerWaalsContact C-N 3.33Å; E56-E58 PolarHBondContact O-N 3.08Å; E56-L59 PolarHBondContact O-N 3.08Å; E56-K60 WeakPolarHBondContact O-CB 3.43Å; E56-K60 VanDerWaalsContact O-CG 3.29Å; E56-K60 WeakPolarHBondContact O-CG 3.44Å; E56-K60 PolarHBondContact O-N 3.44Å; E56-V101 HydrophobicContact CG-CB 4.04Å; E56-V101 HydrophobicContact CG-CG1 4.19Å
57K98.1Very high97.7Very high127 Ų12757.5 Ų57.555%0.55227%0.265SS*.Hα-helixtrans-58.4-49.7174.7-172.7-172.2177.9-61.50111.5E53 K54 I55 L59 K60 D61E53-K57 PolarHBondContact O-N 3.01Å; K54-K57 PolarHBondContact O-N 3.28Å; I55-K57 VanDerWaalsContact C-N 3.33Å; I55-K57 PolarHBondContact O-N 3.5Å; K57-L59 VanDerWaalsContact C-N 3.3Å; K57-L59 PolarHBondContact O-N 3.45Å; K57-K60 PolarHBondContact O-N 2.82Å; K57-D61 IonicContact NZ-OD1 2.67Å; K57-D61 IonicContact NZ-OD2 2.92Å; K57-D61 PolarHBondContact NZ-OD2 2.86Å; K57-D61 WeakPolarHBondContact O-CB 3.44Å; K57-D61 PolarHBondContact O-N 3.46Å
58E98.2Very high97.9Very high56 Ų5655.1 Ų55.126%0.26226%0.257SS..Hα-helixtrans-60.2-41.2178.5-69.5177.8-159.600111.8R24 K54 I55 E56 D61 I62R24-E58 IonicContact CZ-OE2 3.71Å; R24-E58 VanDerWaalsContact CZ-OE2 3.22Å; R24-E58 IonicContact NE-OE2 3.69Å; R24-E58 PolarHBondContact NE-OE2 3.32Å; R24-E58 IonicContact NH2-OE2 2.68Å; R24-E58 PolarHBondContact NH2-OE2 3.06Å; K54-E58 VanDerWaalsContact CE-OE1 3.29Å; K54-E58 WeakPolarHBondContact CE-OE1 3.37Å; K54-E58 WeakPolarHBondContact O-CG 3.3Å; K54-E58 PolarHBondContact O-N 2.87Å; K54-E58 VanDerWaalsContact O-N 3.08Å; I55-E58 PolarHBondContact O-N 3.4Å; E56-E58 PolarHBondContact O-N 3.08Å; E58-D61 PolarHBondContact O-N 3.4Å; E58-I62 WeakPolarHBondContact O-CD1 3.41Å; E58-I62 VanDerWaalsContact O-CG1 3.31Å; E58-I62 WeakPolarHBondContact O-CG1 3.31Å; E58-I62 PolarHBondContact O-N 3.39Å; E58-I62 VanDerWaalsContact O-N 3.08Å
59L98.2Very high98Very high0 Ų057 Ų570%027%0.266CS..Hα-helixtrans-63.3-46176.7-178.766.7000111.6V21 R24 R25 I55 E56 K57 I62 C63 V101V21-L59 HydrophobicContact CG2-CD1 3.41Å; V21-L59 VanDerWaalsContact CG2-CD1 3.41Å; R24-L59 HydrophobicContact CB-CB 4.42Å; R24-L59 HydrophobicContact CB-CD1 3.97Å; R25-L59 HydrophobicContact CG-CD1 3.76Å; R25-L59 HydrophobicContact CG-CD2 4.04Å; I55-L59 WeakPolarHBondContact O-CB 3.4Å; I55-L59 PolarHBondContact O-N 3.26Å; E56-L59 PolarHBondContact O-N 3.08Å; K57-L59 VanDerWaalsContact C-N 3.3Å; K57-L59 PolarHBondContact O-N 3.45Å; L59-I62 PolarHBondContact O-N 2.91Å; L59-C63 PolarHBondContact O-N 2.92Å; L59-C63 PolarHBondContact O-SG 3.37Å; L59-V101 HydrophobicContact CD2-CB 4.49Å; L59-V101 HydrophobicContact CD2-CG1 3.56Å; L59-V101 HydrophobicContact CD2-CG2 4.11Å
60K98.2Very high98.1Very high44 Ų4453.3 Ų53.319%0.19125%0.25CC..Hα-helixtrans-61.7-44176.9-72.7-174.7179-159.10111.4E56 K57 I62 C63 H64 L98 V101 E106E56-K60 WeakPolarHBondContact O-CB 3.43Å; E56-K60 VanDerWaalsContact O-CG 3.29Å; E56-K60 WeakPolarHBondContact O-CG 3.44Å; E56-K60 PolarHBondContact O-N 3.44Å; K57-K60 PolarHBondContact O-N 2.82Å; K60-I62 PolarHBondContact O-N 2.79Å; K60-C63 PolarHBondContact O-N 2.86Å; K60-H64 PolarHBondContact O-CD2 3.08Å; K60-H64 PolarHBondContact O-N 3.49Å; K60-L98 HydrophobicContact CB-CD2 4.1Å; K60-L98 HydrophobicContact CG-CD2 3.77Å; K60-V101 HydrophobicContact CG-CG2 4.2Å; K60-E106 IonicContact NZ-OE1 3.52Å; K60-E106 PolarHBondContact NZ-OE1 2.98Å; K60-E106 IonicContact NZ-OE2 2.95Å; K60-E106 PolarHBondContact NZ-OE2 2.9Å
61D98.4Very high98.2Very high79 Ų7952.3 Ų52.342%0.42225%0.245SC..Hα-helixtrans-58.9-48.2178-69.4-21.4000111K57 E58 C63 H64 E65K57-D61 IonicContact NZ-OD1 2.67Å; K57-D61 IonicContact NZ-OD2 2.92Å; K57-D61 PolarHBondContact NZ-OD2 2.86Å; K57-D61 WeakPolarHBondContact O-CB 3.44Å; K57-D61 PolarHBondContact O-N 3.46Å; E58-D61 PolarHBondContact O-N 3.4Å; D61-C63 VanDerWaalsContact C-N 3.34Å; D61-C63 PolarHBondContact O-N 3.48Å; D61-H64 PolarHBondContact O-N 3.29Å; D61-E65 PolarHBondContact O-N 3.41Å
62I98.3Very high98.2Very high22 Ų2253 Ų5311%0.11325%0.25CC..Hα-helixtrans-60.2-44.2175.9-66.9156.1000111.1Y17 V20 V21 R24 E58 L59 K60 E65 V66Y17-I62 HydrophobicContact CD1-CG2 4.45Å; V20-I62 HydrophobicContact CG1-CD1 3.68Å; V20-I62 HydrophobicContact CG1-CG1 4.24Å; V21-I62 HydrophobicContact CB-CG2 4.23Å; V21-I62 HydrophobicContact CG2-CG2 4.37Å; R24-I62 HydrophobicContact CG-CD1 3.84Å; E58-I62 WeakPolarHBondContact O-CD1 3.41Å; E58-I62 VanDerWaalsContact O-CG1 3.31Å; E58-I62 WeakPolarHBondContact O-CG1 3.31Å; E58-I62 PolarHBondContact O-N 3.39Å; E58-I62 VanDerWaalsContact O-N 3.08Å; L59-I62 PolarHBondContact O-N 2.91Å; K60-I62 PolarHBondContact O-N 2.79Å; I62-E65 PolarHBondContact O-N 3.48Å; I62-V66 WeakPolarHBondContact O-CG2 3.4Å; I62-V66 PolarHBondContact O-N 3.49Å; I62-V66 VanDerWaalsContact O-N 3.13Å
63C98.6Very high98.2Very high0 Ų056 Ų560%026%0.264CS..Hα-helixtrans-64.6-44.2-179.4-65.40000111.7L59 K60 D61 E65 V66 L67 Y94 L98L59-C63 PolarHBondContact O-N 2.92Å; L59-C63 PolarHBondContact O-SG 3.37Å; K60-C63 PolarHBondContact O-N 2.86Å; D61-C63 VanDerWaalsContact C-N 3.34Å; D61-C63 PolarHBondContact O-N 3.48Å; C63-E65 VanDerWaalsContact C-N 3.35Å; C63-E65 PolarHBondContact O-N 2.9Å; C63-V66 PolarHBondContact O-N 3.49Å; C63-L67 WeakPolarHBondContact O-CB 3.39Å; C63-L67 WeakPolarHBondContact O-CG 3.26Å; C63-L67 PolarHBondContact O-N 2.91Å; C63-Y94 HydrophobicContact CB-CD1 4.05Å; C63-L98 HydrophobicContact CB-CD1 4.07Å; C63-L98 HydrophobicContact CB-CD2 3.64Å; C63-L98 HydrophobicContact CB-CG 3.67Å
64H98.5Very high98.2Very high84 Ų8452.7 Ų52.739%0.38925%0.249SC..Hα-helixtrans-67.8-32.7178.6-72.9-52.2000113.3K60 D61 T68K60-H64 PolarHBondContact O-CD2 3.08Å; K60-H64 PolarHBondContact O-N 3.49Å; D61-H64 PolarHBondContact O-N 3.29Å; H64-T68 VanDerWaalsContact O-CB 3.26Å; H64-T68 WeakPolarHBondContact O-CB 3.28Å; H64-T68 PolarHBondContact O-N 3.23Å; H64-T68 PolarHBondContact O-OG1 2.99Å
65E98.4Very high98.1Very high109 Ų10948.9 Ų48.951%0.50923%0.234SC..Hα-helixtrans-59.6-51.6170.9-179.8177.6-177.800110.9Y17 D61 I62 C63 T68 L69Y17-E65 PolarHBondContact OH-OE1 2.84Å; Y17-E65 VanDerWaalsContact OH-OE1 3.13Å; D61-E65 PolarHBondContact O-N 3.41Å; I62-E65 PolarHBondContact O-N 3.48Å; C63-E65 VanDerWaalsContact C-N 3.35Å; C63-E65 PolarHBondContact O-N 2.9Å; E65-T68 PolarHBondContact O-N 3.35Å; E65-L69 PolarHBondContact O-N 3.46Å
66V98.5Very high98.1Very high1 Ų153 Ų531%0.00626%0.261CS..Hα-helixtrans-63.5-45.4179.2172.10000111.7Y17 I62 C63 T68 L69 L70 M90 Y94Y17-V66 HydrophobicContact CD1-CG2 3.32Å; Y17-V66 HydrophobicContact CD2-CG2 3.9Å; Y17-V66 HydrophobicContact CE1-CG2 3.56Å; Y17-V66 HydrophobicContact CE2-CG2 4.11Å; Y17-V66 HydrophobicContact CG-CG2 3.51Å; I62-V66 WeakPolarHBondContact O-CG2 3.4Å; I62-V66 PolarHBondContact O-N 3.49Å; I62-V66 VanDerWaalsContact O-N 3.13Å; C63-V66 PolarHBondContact O-N 3.49Å; V66-T68 VanDerWaalsContact C-N 3.3Å; V66-T68 PolarHBondContact O-N 3.01Å; V66-L69 WeakPolarHBondContact O-CB 3.01Å; V66-L69 PolarHBondContact O-N 3.21Å; V66-L69 VanDerWaalsContact O-N 3.16Å; V66-L70 HydrophobicContact CG1-CD1 3.72Å; V66-L70 HydrophobicContact CG1-CG 4.21Å; V66-L70 WeakPolarHBondContact O-CB 3.19Å; V66-L70 VanDerWaalsContact O-CG 3.27Å; V66-L70 WeakPolarHBondContact O-CG 3.1Å; V66-L70 PolarHBondContact O-N 3.38Å; V66-M90 HydrophobicContact CG1-CE 3.74Å; V66-Y94 HydrophobicContact CB-CD1 3.92Å; V66-Y94 HydrophobicContact CB-CD2 4.38Å; V66-Y94 HydrophobicContact CB-CE1 3.91Å; V66-Y94 HydrophobicContact CB-CE2 4.43Å; V66-Y94 HydrophobicContact CB-CG 4.16Å; V66-Y94 HydrophobicContact CG1-CD1 4.01Å; V66-Y94 HydrophobicContact CG1-CD2 3.56Å; V66-Y94 HydrophobicContact CG1-CE1 4.02Å; V66-Y94 HydrophobicContact CG1-CE2 3.64Å; V66-Y94 HydrophobicContact CG1-CG 3.78Å; V66-Y94 HydrophobicContact CG2-CD1 4.25Å; V66-Y94 HydrophobicContact CG2-CE1 3.72Å
67L98.8Very high98Very high5 Ų554.3 Ų54.33%0.02627%0.267CS..Hα-helixtrans-60.4-41.7177.6-70.8169.7000111.3C63 L69 L70 D71 K91 Y95 L98C63-L67 WeakPolarHBondContact O-CB 3.39Å; C63-L67 WeakPolarHBondContact O-CG 3.26Å; C63-L67 PolarHBondContact O-N 2.91Å; L67-L69 PolarHBondContact O-N 3.15Å; L67-L70 PolarHBondContact O-N 3.14Å; L67-D71 WeakPolarHBondContact O-CB 3.28Å; L67-D71 PolarHBondContact O-N 3.38Å; L67-K91 HydrophobicContact CD2-CG 3.84Å; L67-Y95 HydrophobicContact CD1-CD1 3.96Å; L67-Y95 HydrophobicContact CD1-CD2 4.47Å; L67-Y95 HydrophobicContact CD1-CE1 3.66Å; L67-Y95 HydrophobicContact CD1-CE2 4.21Å; L67-Y95 HydrophobicContact CD1-CG 4.33Å; L67-Y95 HydrophobicContact CD2-CD2 3.69Å; L67-Y95 HydrophobicContact CD2-CE1 4.47Å; L67-Y95 HydrophobicContact CD2-CE2 3.52Å; L67-Y95 HydrophobicContact CD2-CG 4.24Å; L67-Y95 HydrophobicContact CG-CE2 4.47Å; L67-L98 HydrophobicContact CD1-CD1 3.6Å
68T98.6Very high97.9Very high62 Ų6248.7 Ų48.738%0.3824%0.243SC..Hα-helixtrans-62.7-42.6174.9-62.40000111.6H64 E65 V66 K72H64-T68 VanDerWaalsContact O-CB 3.26Å; H64-T68 WeakPolarHBondContact O-CB 3.28Å; H64-T68 PolarHBondContact O-N 3.23Å; H64-T68 PolarHBondContact O-OG1 2.99Å; E65-T68 PolarHBondContact O-N 3.35Å; V66-T68 VanDerWaalsContact C-N 3.3Å; V66-T68 PolarHBondContact O-N 3.01Å; T68-K72 HydrophobicContact CG2-CD 3.72Å; T68-K72 HydrophobicContact CG2-CG 4.34Å; T68-K72 VanDerWaalsContact O-CB 3.27Å; T68-K72 WeakPolarHBondContact O-CB 3.45Å; T68-K72 WeakPolarHBondContact O-CG 3.28Å; T68-K72 PolarHBondContact O-N 3.46Å
69L98Very high97.8Very high45 Ų4550.8 Ų50.824%0.23626%0.26CS..Hα-helixtrans-62.2-45.2176.8179.564.7000111.4L13 Y17 E65 V66 L67 F73 L74L13-L69 HydrophobicContact CD1-CD2 4.13Å; L13-L69 HydrophobicContact CD2-CD2 3.96Å; Y17-L69 HydrophobicContact CE2-CD2 4.08Å; E65-L69 PolarHBondContact O-N 3.46Å; V66-L69 WeakPolarHBondContact O-CB 3.01Å; V66-L69 PolarHBondContact O-N 3.21Å; V66-L69 VanDerWaalsContact O-N 3.16Å; L67-L69 PolarHBondContact O-N 3.15Å; L69-F73 HydrophobicContact CD1-CB 4.34Å; L69-F73 HydrophobicContact CD1-CD2 3.99Å; L69-F73 WeakPolarHBondContact O-CB 3.39Å; L69-F73 PolarHBondContact O-N 3.49Å; L69-L74 HydrophobicContact CD2-CD1 4.02Å; L69-L74 HydrophobicContact CG-CD1 3.78Å; L69-L74 HydrophobicContact CG-CG 4.12Å; L69-L74 PolarHBondContact O-N 3.13Å
70L98.5Very high97.7Very high0 Ų053.7 Ų53.70%028%0.278CS..Iπ-helixtrans-61.4-54.1178.6-72.4166.6000111.3V66 L67 L74 I75 Y87 M90 K91V66-L70 HydrophobicContact CG1-CD1 3.72Å; V66-L70 HydrophobicContact CG1-CG 4.21Å; V66-L70 WeakPolarHBondContact O-CB 3.19Å; V66-L70 VanDerWaalsContact O-CG 3.27Å; V66-L70 WeakPolarHBondContact O-CG 3.1Å; V66-L70 PolarHBondContact O-N 3.38Å; L67-L70 PolarHBondContact O-N 3.14Å; L70-L74 HydrophobicContact CD2-CB 4.33Å; L70-L74 HydrophobicContact CD2-CD1 3.91Å; L70-L74 PolarHBondContact O-N 3.27Å; L70-I75 HydrophobicContact CB-CD1 4.08Å; L70-I75 HydrophobicContact CB-CG1 4.43Å; L70-I75 WeakPolarHBondContact O-CB 3.13Å; L70-I75 PolarHBondContact O-N 3.18Å; L70-Y87 HydrophobicContact CD2-CD1 3.77Å; L70-Y87 HydrophobicContact CD2-CG 4.15Å; L70-M90 HydrophobicContact CD1-CB 4.33Å; L70-M90 HydrophobicContact CD1-CG 4.13Å; L70-M90 HydrophobicContact CD2-CB 4.38Å; L70-M90 HydrophobicContact CD2-CG 4.44Å; L70-M90 HydrophobicContact CD2-SD 4.19Å; L70-K91 HydrophobicContact CD1-CB 4.02Å
71D98.4Very high97.7Very high63 Ų6352.4 Ų52.434%0.33728%0.275SS..Iπ-helixtrans-69.6-36.7-173.6-75.5-24.5000112.9L67 P76 K91L67-D71 WeakPolarHBondContact O-CB 3.28Å; L67-D71 PolarHBondContact O-N 3.38Å; D71-P76 WeakPolarHBondContact O-CD 3Å; D71-P76 WeakPolarHBondContact O-CG 3.44Å; D71-K91 VanDerWaalsContact OD1-CE 3.26Å; D71-K91 WeakPolarHBondContact OD1-CE 3.36Å; D71-K91 IonicContact OD1-NZ 3.78Å; D71-K91 PolarHBondContact OD1-NZ 3.09Å; D71-K91 IonicContact OD2-NZ 2.86Å
72K97.3Very high97.6Very high140 Ų14051.9 Ų51.961%0.60927%0.271SS*.Iπ-helixtrans-88.8-28.3-175.9-65.2-174.5-178.9173.10113.9T68T68-K72 HydrophobicContact CG2-CD 3.72Å; T68-K72 HydrophobicContact CG2-CG 4.34Å; T68-K72 VanDerWaalsContact O-CB 3.27Å; T68-K72 WeakPolarHBondContact O-CB 3.45Å; T68-K72 WeakPolarHBondContact O-CG 3.28Å; T68-K72 PolarHBondContact O-N 3.46Å
73F96.4Very high97.6Very high102 Ų10251 Ų5145%0.44727%0.266SS..Iπ-helixtrans-130.9-39.9-166.9-56-74000115L69 K77L69-F73 HydrophobicContact CD1-CB 4.34Å; L69-F73 HydrophobicContact CD1-CD2 3.99Å; L69-F73 WeakPolarHBondContact O-CB 3.39Å; L69-F73 PolarHBondContact O-N 3.49Å; F73-K77 WeakPolarHBondContact O-CB 3.34Å; F73-K77 WeakPolarHBondContact O-CD 3.31Å; F73-K77 WeakPolarHBondContact O-CG 2.97Å
74L97.7Very high97.6Very high16 Ų1654.7 Ų54.78%0.08428%0.282CS..Iπ-helixtrans-90.7-52.5-170.3-57.5175.6000112.6L5 L13 L69 L70 K77 A78 Y87L5-L74 HydrophobicContact CD1-CD2 3.66Å; L5-L74 HydrophobicContact CG-CD2 4.08Å; L13-L74 HydrophobicContact CD2-CD1 3.58Å; L69-L74 HydrophobicContact CD2-CD1 4.02Å; L69-L74 HydrophobicContact CG-CD1 3.78Å; L69-L74 HydrophobicContact CG-CG 4.12Å; L69-L74 PolarHBondContact O-N 3.13Å; L70-L74 HydrophobicContact CD2-CB 4.33Å; L70-L74 HydrophobicContact CD2-CD1 3.91Å; L70-L74 PolarHBondContact O-N 3.27Å; L74-K77 PolarHBondContact O-N 2.71Å; L74-A78 PolarHBondContact O-N 2.74Å; L74-A78 VanDerWaalsContact O-N 3.13Å; L74-Y87 HydrophobicContact CB-CD1 3.9Å; L74-Y87 HydrophobicContact CB-CD2 4.04Å; L74-Y87 HydrophobicContact CB-CE1 3.87Å; L74-Y87 HydrophobicContact CB-CE2 4.03Å; L74-Y87 HydrophobicContact CB-CG 4.01Å; L74-Y87 HydrophobicContact CD1-CD1 4.08Å; L74-Y87 HydrophobicContact CD1-CE1 3.83Å; L74-Y87 HydrophobicContact CD2-CE1 4.4Å; L74-Y87 HydrophobicContact CG-CE1 4.25Å
75I97.9Very high97.6Very high39 Ų3950.7 Ų50.720%0.226%0.264CS..G310 helixtrans-61.2-47178.7-65.3169.5000111.1L70 K77 A78 L88 K91L70-I75 HydrophobicContact CB-CD1 4.08Å; L70-I75 HydrophobicContact CB-CG1 4.43Å; L70-I75 WeakPolarHBondContact O-CB 3.13Å; L70-I75 PolarHBondContact O-N 3.18Å; I75-K77 PolarHBondContact O-N 3.19Å; I75-K77 VanDerWaalsContact O-N 3.15Å; I75-A78 PolarHBondContact O-N 3.38Å; I75-L88 HydrophobicContact CD1-CD2 4.14Å; I75-K91 HydrophobicContact CD1-CB 4.41Å; I75-K91 HydrophobicContact CD1-CD 3.84Å
76P96.7Very high97.6Very high91 Ų9146.7 Ų46.759%0.59125%0.245SC*.G310 helixtrans-63.3-22-179.7-24.635.7000114.7D71D71-P76 WeakPolarHBondContact O-CD 3Å; D71-P76 WeakPolarHBondContact O-CG 3.44Å
77K95.6Very high97.6Very high56 Ų5646.7 Ų46.724%0.24325%0.245CC..G310 helixtrans-98.3-9.2-179-66.7-177.8-169.61740113.5N2 F73 L74 I75 T79N2-K77 WeakPolarHBondContact OD1-CE 3.48Å; N2-K77 PolarHBondContact OD1-NZ 3.37Å; F73-K77 WeakPolarHBondContact O-CB 3.34Å; F73-K77 WeakPolarHBondContact O-CD 3.31Å; F73-K77 WeakPolarHBondContact O-CG 2.97Å; L74-K77 PolarHBondContact O-N 2.71Å; I75-K77 PolarHBondContact O-N 3.19Å; I75-K77 VanDerWaalsContact O-N 3.15Å; K77-T79 PolarHBondContact O-N 3.02Å
78A96.7Very high97.6Very high8 Ų847.3 Ų47.37%0.06625%0.248CC..  trans-68.1115.6-177.800000110.3E4 L74 I75 K84 Y87E4-A78 WeakPolarHBondContact OE1-CA 3.18Å; L74-A78 PolarHBondContact O-N 2.74Å; L74-A78 VanDerWaalsContact O-N 3.13Å; I75-A78 PolarHBondContact O-N 3.38Å; A78-K84 HydrophobicContact CB-CB 4.47Å; A78-K84 HydrophobicContact CB-CG 3.66Å; A78-K84 WeakPolarHBondContact O-CE 3.32Å; A78-Y87 HydrophobicContact CB-CD2 3.89Å; A78-Y87 HydrophobicContact CB-CE2 4.12Å
79T95.5Very high97.6Very high100 Ų10046 Ų4661%0.61324%0.237SC*.  trans-94.9-34.8-177.761.30000112.5E4 K77E4-T79 PolarHBondContact OE1-N 3.15Å; E4-T79 WeakPolarHBondContact OE2-CB 3.41Å; E4-T79 WeakPolarHBondContact OE2-CG2 3.42Å; E4-T79 PolarHBondContact OE2-N 2.91Å; E4-T79 VanDerWaalsContact OE2-N 3.15Å; E4-T79 PolarHBondContact OE2-OG1 3.46Å; K77-T79 PolarHBondContact O-N 3.02Å
80T96.5Very high97.6Very high62 Ų6244.3 Ų44.338%0.3823%0.228SC..SBendtrans-89156.8-178.369.30000112.6E82 S83 K84T80-E82 VanDerWaalsContact C-N 3.29Å; T80-E82 PolarHBondContact O-N 2.89Å; T80-S83 PolarHBondContact O-N 3.46Å; T80-S83 WeakPolarHBondContact OG1-CB 3.17Å; T80-S83 PolarHBondContact OG1-N 3.44Å; T80-S83 VanDerWaalsContact OG1-N 3.1Å; T80-S83 PolarHBondContact OG1-OG 2.96Å; T80-K84 VanDerWaalsContact O-CG 3.31Å; T80-K84 WeakPolarHBondContact O-CG 3.48Å; T80-K84 PolarHBondContact O-N 3.41Å; T80-K84 VanDerWaalsContact O-N 3.08Å
81A97.5Very high97.6Very high16 Ų1645.9 Ų45.913%0.13224%0.235CC..Hα-helixtrans-57.8-44.4172.300000111.2S83 K84 V85 I124 Q128 M129A81-S83 PolarHBondContact O-N 2.95Å; A81-K84 PolarHBondContact O-N 3.01Å; A81-V85 WeakPolarHBondContact O-CB 3.36Å; A81-V85 VanDerWaalsContact O-CG2 3.28Å; A81-V85 WeakPolarHBondContact O-CG2 3.31Å; A81-V85 PolarHBondContact O-N 3.18Å; A81-I124 HydrophobicContact CB-CG2 4.04Å; A81-Q128 HydrophobicContact CB-CB 3.72Å; A81-M129 HydrophobicContact CB-CG 4.44Å
82E97Very high97.7Very high69 Ų6942.9 Ų42.932%0.32222%0.219SC..Hα-helixtrans-55.9-51.1177.3-69.9-178.8176.700112.4T80 K84 V85 F86 M129 H133 I135T80-E82 VanDerWaalsContact C-N 3.29Å; T80-E82 PolarHBondContact O-N 2.89Å; E82-K84 PolarHBondContact O-N 3.43Å; E82-V85 PolarHBondContact O-N 3.41Å; E82-F86 WeakPolarHBondContact O-CB 3.49Å; E82-F86 PolarHBondContact O-N 3.45Å; E82-M129 HydrophobicContact CG-CE 4.22Å; E82-H133 IonicContact OE1-CD2 3.92Å; E82-H133 IonicContact OE1-NE2 3.04Å; E82-H133 PolarHBondContact OE1-NE2 2.85Å; E82-I135 HydrophobicContact CB-CD1 4.19Å
83S97.7Very high97.7Very high3 Ų336.6 Ų36.62%0.02119%0.192CC..Hα-helixtrans-62.8-43.3179.3-73.10000111.8E4 R10 T80 A81 F86 Y87E4-S83 WeakPolarHBondContact OE1-CB 3.15Å; E4-S83 PolarHBondContact OE1-OG 3.26Å; R10-S83 PolarHBondContact NH1-OG 3.38Å; T80-S83 PolarHBondContact O-N 3.46Å; T80-S83 WeakPolarHBondContact OG1-CB 3.17Å; T80-S83 PolarHBondContact OG1-N 3.44Å; T80-S83 VanDerWaalsContact OG1-N 3.1Å; T80-S83 PolarHBondContact OG1-OG 2.96Å; A81-S83 PolarHBondContact O-N 2.95Å; S83-F86 PolarHBondContact O-N 3.48Å; S83-Y87 WeakPolarHBondContact O-CD2 3.49Å; S83-Y87 PolarHBondContact O-N 3.29Å
84K98.5Very high97.8Very high77 Ų7732 Ų3234%0.33517%0.172SC..Hα-helixtrans-61.2-50.6178.8-71.4171.9-173.9173.20111.2A78 T80 A81 E82 F86 Y87 L88 I124A78-K84 HydrophobicContact CB-CB 4.47Å; A78-K84 HydrophobicContact CB-CG 3.66Å; A78-K84 WeakPolarHBondContact O-CE 3.32Å; T80-K84 VanDerWaalsContact O-CG 3.31Å; T80-K84 WeakPolarHBondContact O-CG 3.48Å; T80-K84 PolarHBondContact O-N 3.41Å; T80-K84 VanDerWaalsContact O-N 3.08Å; A81-K84 PolarHBondContact O-N 3.01Å; E82-K84 PolarHBondContact O-N 3.43Å; K84-F86 VanDerWaalsContact C-N 3.33Å; K84-F86 PolarHBondContact O-N 2.89Å; K84-Y87 PolarHBondContact O-N 3.17Å; K84-L88 WeakPolarHBondContact O-CB 3.46Å; K84-L88 VanDerWaalsContact O-CG 3.28Å; K84-L88 WeakPolarHBondContact O-CG 2.99Å; K84-L88 PolarHBondContact O-N 2.73Å; K84-I124 HydrophobicContact CB-CD1 3.96Å; K84-I124 HydrophobicContact CD-CD1 4.34Å
85V98.7Very high97.9Very high0 Ų032.9 Ų32.90%017%0.174CC..Hα-helixtrans-63.7-41.1179.5176.30000110.7A81 E82 Y87 K89 A121 I124 A125 M129 I135 L139A81-V85 WeakPolarHBondContact O-CB 3.36Å; A81-V85 VanDerWaalsContact O-CG2 3.28Å; A81-V85 WeakPolarHBondContact O-CG2 3.31Å; A81-V85 PolarHBondContact O-N 3.18Å; E82-V85 PolarHBondContact O-N 3.41Å; V85-Y87 PolarHBondContact O-N 2.89Å; V85-K89 WeakPolarHBondContact O-CB 3.14Å; V85-K89 PolarHBondContact O-N 3.47Å; V85-A121 HydrophobicContact CG1-CB 4.33Å; V85-I124 HydrophobicContact CG2-CB 3.72Å; V85-I124 HydrophobicContact CG2-CG2 3.56Å; V85-A125 HydrophobicContact CG1-CB 4.07Å; V85-A125 HydrophobicContact CG2-CB 4.01Å; V85-M129 HydrophobicContact CB-SD 3.9Å; V85-M129 HydrophobicContact CG1-SD 4.06Å; V85-M129 HydrophobicContact CG2-SD 3.68Å; V85-I135 HydrophobicContact CB-CG2 4.2Å; V85-I135 HydrophobicContact CG1-CG2 3.71Å; V85-L139 HydrophobicContact CG1-CD2 3.96Å
86F98.5Very high97.9Very high25 Ų2531.7 Ų31.711%0.1117%0.167CC..Hα-helixtrans-57.2-51176.5-172.9-79.8000111.9R10 E82 S83 K84 M90 I135R10-F86 VanDerWaalsContact CD-CD1 3.4Å; R10-F86 HydrophobicContact CG-CD1 3.56Å; R10-F86 HydrophobicContact CG-CE1 3.35Å; R10-F86 HydrophobicContact CG-CE2 4.35Å; R10-F86 HydrophobicContact CG-CG 4.16Å; R10-F86 HydrophobicContact CG-CZ 3.78Å; E82-F86 WeakPolarHBondContact O-CB 3.49Å; E82-F86 PolarHBondContact O-N 3.45Å; S83-F86 PolarHBondContact O-N 3.48Å; K84-F86 VanDerWaalsContact C-N 3.33Å; K84-F86 PolarHBondContact O-N 2.89Å; F86-M90 HydrophobicContact CE1-SD 4.37Å; F86-M90 WeakPolarHBondContact O-CB 3.37Å; F86-M90 PolarHBondContact O-N 3.39Å; F86-I135 HydrophobicContact CB-CD1 4.37Å; F86-I135 HydrophobicContact CB-CG2 4.47Å; F86-I135 HydrophobicContact CD2-CD1 4.02Å; F86-I135 HydrophobicContact CD2-CG1 4.28Å
87Y98.7Very high98Very high2 Ų228.2 Ų28.21%0.00814%0.142CC..Hα-helixtrans-73.1-36.4-177.5-63.6-49.1000113R10 L70 L74 A78 S83 K84 V85 M90 K91R10-Y87 HydrophobicContact CG-CE1 3.65Å; R10-Y87 WeakPolarHBondContact CG-OH 3.27Å; L70-Y87 HydrophobicContact CD2-CD1 3.77Å; L70-Y87 HydrophobicContact CD2-CG 4.15Å; L74-Y87 HydrophobicContact CB-CD1 3.9Å; L74-Y87 HydrophobicContact CB-CD2 4.04Å; L74-Y87 HydrophobicContact CB-CE1 3.87Å; L74-Y87 HydrophobicContact CB-CE2 4.03Å; L74-Y87 HydrophobicContact CB-CG 4.01Å; L74-Y87 HydrophobicContact CD1-CD1 4.08Å; L74-Y87 HydrophobicContact CD1-CE1 3.83Å; L74-Y87 HydrophobicContact CD2-CE1 4.4Å; L74-Y87 HydrophobicContact CG-CE1 4.25Å; A78-Y87 HydrophobicContact CB-CD2 3.89Å; A78-Y87 HydrophobicContact CB-CE2 4.12Å; S83-Y87 WeakPolarHBondContact O-CD2 3.49Å; S83-Y87 PolarHBondContact O-N 3.29Å; K84-Y87 PolarHBondContact O-N 3.17Å; V85-Y87 PolarHBondContact O-N 2.89Å; Y87-M90 PolarHBondContact O-N 3.3Å; Y87-K91 WeakPolarHBondContact O-CB 3.37Å; Y87-K91 PolarHBondContact O-N 3.4Å
88L98.9Very high98.1Very high17 Ų1725.6 Ų25.69%0.08913%0.131CC..Hα-helixtrans-67.6-42.1175.3-72.7166.8000111.7I75 K84 M90 K91 G92 D120 A121 I124I75-L88 HydrophobicContact CD1-CD2 4.14Å; K84-L88 WeakPolarHBondContact O-CB 3.46Å; K84-L88 VanDerWaalsContact O-CG 3.28Å; K84-L88 WeakPolarHBondContact O-CG 2.99Å; K84-L88 PolarHBondContact O-N 2.73Å; L88-M90 VanDerWaalsContact C-N 3.32Å; L88-M90 PolarHBondContact O-N 3.31Å; L88-K91 WeakPolarHBondContact O-CB 3.46Å; L88-K91 PolarHBondContact O-N 2.77Å; L88-G92 PolarHBondContact O-N 2.92Å; L88-D120 HydrophobicContact CD1-CB 4.09Å; L88-D120 HydrophobicContact CD2-CB 4.27Å; L88-A121 HydrophobicContact CB-CB 3.71Å; L88-I124 HydrophobicContact CD1-CD1 3.74Å
89K98.7Very high98.2Very high35 Ų3525.2 Ų25.215%0.15213%0.128CC..Hα-helixtrans-56.4-48.2170.3179-166.7171-66.70110.7V85 K91 G92 D93 G138 L139 N142V85-K89 WeakPolarHBondContact O-CB 3.14Å; V85-K89 PolarHBondContact O-N 3.47Å; K89-K91 VanDerWaalsContact C-N 3.32Å; K89-K91 PolarHBondContact O-N 3.03Å; K89-G92 PolarHBondContact O-N 3.37Å; K89-D93 IonicContact NZ-OD2 3.88Å; K89-D93 PolarHBondContact NZ-OD2 3.03Å; K89-D93 PolarHBondContact O-N 2.89Å; K89-G138 WeakPolarHBondContact CE-O 3.49Å; K89-L139 HydrophobicContact CB-CD1 4.05Å; K89-L139 HydrophobicContact CD-CB 4.1Å; K89-L139 HydrophobicContact CG-CB 4.3Å; K89-L139 HydrophobicContact CG-CD1 4.03Å; K89-N142 PolarHBondContact NZ-ND2 3.43Å
90M98.7Very high98.2Very high9 Ų921.9 Ų21.94%0.04411%0.105CC..Hα-helixtrans-59.5-43.7177.1-169.2172.5176.600110.7V66 L70 F86 Y87 L88 G92 D93 Y94V66-M90 HydrophobicContact CG1-CE 3.74Å; L70-M90 HydrophobicContact CD1-CB 4.33Å; L70-M90 HydrophobicContact CD1-CG 4.13Å; L70-M90 HydrophobicContact CD2-CB 4.38Å; L70-M90 HydrophobicContact CD2-CG 4.44Å; L70-M90 HydrophobicContact CD2-SD 4.19Å; F86-M90 HydrophobicContact CE1-SD 4.37Å; F86-M90 WeakPolarHBondContact O-CB 3.37Å; F86-M90 PolarHBondContact O-N 3.39Å; Y87-M90 PolarHBondContact O-N 3.3Å; L88-M90 VanDerWaalsContact C-N 3.32Å; L88-M90 PolarHBondContact O-N 3.31Å; M90-G92 PolarHBondContact O-N 2.82Å; M90-D93 WeakPolarHBondContact O-CB 3.32Å; M90-D93 PolarHBondContact O-N 3.44Å; M90-D93 VanDerWaalsContact O-N 3.14Å; M90-Y94 HydrophobicContact CE-CD2 4.47Å; M90-Y94 HydrophobicContact CE-CE2 3.68Å; M90-Y94 HydrophobicContact CG-CD2 3.87Å; M90-Y94 HydrophobicContact CG-CE2 3.77Å; M90-Y94 VanDerWaalsContact O-CD2 3.27Å; M90-Y94 WeakPolarHBondContact O-CD2 3.47Å; M90-Y94 PolarHBondContact O-N 3.09Å
91K98.9Very high98.2Very high33 Ų3319.2 Ų19.214%0.1439%0.089CC..Hα-helixtrans-56.9-46.6174.7-175.9174.6178.1172.60111.9L67 L70 D71 I75 Y87 L88 K89 D93 Y94 Y95 A117L67-K91 HydrophobicContact CD2-CG 3.84Å; L70-K91 HydrophobicContact CD1-CB 4.02Å; D71-K91 VanDerWaalsContact OD1-CE 3.26Å; D71-K91 WeakPolarHBondContact OD1-CE 3.36Å; D71-K91 IonicContact OD1-NZ 3.78Å; D71-K91 PolarHBondContact OD1-NZ 3.09Å; D71-K91 IonicContact OD2-NZ 2.86Å; I75-K91 HydrophobicContact CD1-CB 4.41Å; I75-K91 HydrophobicContact CD1-CD 3.84Å; Y87-K91 WeakPolarHBondContact O-CB 3.37Å; Y87-K91 PolarHBondContact O-N 3.4Å; L88-K91 WeakPolarHBondContact O-CB 3.46Å; L88-K91 PolarHBondContact O-N 2.77Å; K89-K91 VanDerWaalsContact C-N 3.32Å; K89-K91 PolarHBondContact O-N 3.03Å; K91-D93 VanDerWaalsContact C-N 3.35Å; K91-D93 PolarHBondContact O-N 3.33Å; K91-Y94 PolarHBondContact O-N 3.44Å; K91-Y95 HydrophobicContact CD-CE2 4.37Å; K91-Y95 HydrophobicContact CG-CD2 3.92Å; K91-Y95 HydrophobicContact CG-CE2 3.82Å; K91-Y95 WeakPolarHBondContact O-CD2 3.46Å; K91-Y95 PolarHBondContact O-N 3.18Å; K91-A117 HydrophobicContact CB-CB 4.06Å; K91-A117 HydrophobicContact CD-CB 4.19Å; K91-A117 HydrophobicContact CG-CB 3.92Å
92G98.9Very high98.2Very high0 Ų018.7 Ų18.70%09%0.085CC..Hα-helixtrans-59.1-42.6174.100000112.8L88 K89 M90 Y94 Y95 R96 S114 Y118L88-G92 PolarHBondContact O-N 2.92Å; K89-G92 PolarHBondContact O-N 3.37Å; M90-G92 PolarHBondContact O-N 2.82Å; G92-Y94 PolarHBondContact O-N 2.76Å; G92-Y95 PolarHBondContact O-N 2.99Å; G92-R96 VanDerWaalsContact O-CB 3.3Å; G92-R96 WeakPolarHBondContact O-CB 3.4Å; G92-R96 PolarHBondContact O-N 3.49Å; G92-S114 PolarHBondContact O-OG 3.41Å; G92-Y118 VanDerWaalsContact C-CZ 3.44Å; G92-Y118 PolarHBondContact O-OH 3.06Å
93D98.8Very high98Very high8 Ų820.5 Ų20.54%0.04310%0.101CC..Hα-helixtrans-60.1-45.4176.1-80.4-49.4000112.5K89 M90 K91 R96 Y97 Y118 N142K89-D93 IonicContact NZ-OD2 3.88Å; K89-D93 PolarHBondContact NZ-OD2 3.03Å; K89-D93 PolarHBondContact O-N 2.89Å; M90-D93 WeakPolarHBondContact O-CB 3.32Å; M90-D93 PolarHBondContact O-N 3.44Å; M90-D93 VanDerWaalsContact O-N 3.14Å; K91-D93 VanDerWaalsContact C-N 3.35Å; K91-D93 PolarHBondContact O-N 3.33Å; D93-R96 WeakPolarHBondContact O-CB 3.45Å; D93-R96 PolarHBondContact O-N 3.43Å; D93-R96 IonicContact OD1-CZ 2.9Å; D93-R96 IonicContact OD1-NE 2.69Å; D93-R96 IonicContact OD1-NH2 2.79Å; D93-R96 PolarHBondContact OD1-NH2 2.98Å; D93-R96 VanDerWaalsContact OD1-NH2 3.09Å; D93-Y97 HydrophobicContact CB-CE2 4.14Å; D93-Y97 WeakPolarHBondContact O-CD1 3.39Å; D93-Y97 WeakPolarHBondContact O-CD2 3.36Å; D93-Y97 WeakPolarHBondContact O-CE2 3.49Å; D93-Y97 PolarHBondContact O-N 2.88Å; D93-Y118 WeakPolarHBondContact CA-OH 3.42Å; D93-Y118 PolarHBondContact N-OH 2.84Å; D93-Y118 PolarHBondContact OD1-OH 3.22Å; D93-N142 WeakPolarHBondContact OD1-CB 3.48Å; D93-N142 PolarHBondContact OD1-ND2 2.92Å; D93-N142 PolarHBondContact OD2-ND2 3.49Å
94Y98.8Very high97.7Very high7 Ų723.1 Ų23.13%0.02713%0.128CC..Hα-helixtrans-72-35.3-178.5-82.2-88.3000113.1Y17 V21 C63 V66 M90 K91 G92 Y97 L98Y17-Y94 WeakPolarHBondContact CB-OH 3.44Å; Y17-Y94 PolarHBondContact O-OH 2.92Å; V21-Y94 HydrophobicContact CB-CE1 4.07Å; V21-Y94 HydrophobicContact CG1-CE1 4.11Å; V21-Y94 HydrophobicContact CG2-CE1 3.97Å; C63-Y94 HydrophobicContact CB-CD1 4.05Å; V66-Y94 HydrophobicContact CB-CD1 3.92Å; V66-Y94 HydrophobicContact CB-CD2 4.38Å; V66-Y94 HydrophobicContact CB-CE1 3.91Å; V66-Y94 HydrophobicContact CB-CE2 4.43Å; V66-Y94 HydrophobicContact CB-CG 4.16Å; V66-Y94 HydrophobicContact CG1-CD1 4.01Å; V66-Y94 HydrophobicContact CG1-CD2 3.56Å; V66-Y94 HydrophobicContact CG1-CE1 4.02Å; V66-Y94 HydrophobicContact CG1-CE2 3.64Å; V66-Y94 HydrophobicContact CG1-CG 3.78Å; V66-Y94 HydrophobicContact CG2-CD1 4.25Å; V66-Y94 HydrophobicContact CG2-CE1 3.72Å; M90-Y94 HydrophobicContact CE-CD2 4.47Å; M90-Y94 HydrophobicContact CE-CE2 3.68Å; M90-Y94 HydrophobicContact CG-CD2 3.87Å; M90-Y94 HydrophobicContact CG-CE2 3.77Å; M90-Y94 VanDerWaalsContact O-CD2 3.27Å; M90-Y94 WeakPolarHBondContact O-CD2 3.47Å; M90-Y94 PolarHBondContact O-N 3.09Å; K91-Y94 PolarHBondContact O-N 3.44Å; G92-Y94 PolarHBondContact O-N 2.76Å; Y94-Y97 HydrophobicContact CD1-CD2 4.05Å; Y94-Y97 HydrophobicContact CD2-CE2 4.49Å; Y94-Y97 HydrophobicContact CE1-CD2 4.32Å; Y94-Y97 HydrophobicContact CE2-CE2 4.43Å; Y94-Y97 HydrophobicContact CG-CD2 4.25Å; Y94-Y97 PolarHBondContact O-N 2.91Å; Y94-L98 WeakPolarHBondContact O-CG 3.47Å; Y94-L98 PolarHBondContact O-N 2.91Å
95Y98.8Very high97.4Very high34 Ų3426 Ų2613%0.13315%0.147CC..Hα-helixtrans-67.6-36.5169.4-81.4-62.4000112.7L67 K91 G92 Y97 L98 A99 V110 E113L67-Y95 HydrophobicContact CD1-CD1 3.96Å; L67-Y95 HydrophobicContact CD1-CD2 4.47Å; L67-Y95 HydrophobicContact CD1-CE1 3.66Å; L67-Y95 HydrophobicContact CD1-CE2 4.21Å; L67-Y95 HydrophobicContact CD1-CG 4.33Å; L67-Y95 HydrophobicContact CD2-CD2 3.69Å; L67-Y95 HydrophobicContact CD2-CE1 4.47Å; L67-Y95 HydrophobicContact CD2-CE2 3.52Å; L67-Y95 HydrophobicContact CD2-CG 4.24Å; L67-Y95 HydrophobicContact CG-CE2 4.47Å; K91-Y95 HydrophobicContact CD-CE2 4.37Å; K91-Y95 HydrophobicContact CG-CD2 3.92Å; K91-Y95 HydrophobicContact CG-CE2 3.82Å; K91-Y95 WeakPolarHBondContact O-CD2 3.46Å; K91-Y95 PolarHBondContact O-N 3.18Å; G92-Y95 PolarHBondContact O-N 2.99Å; Y95-Y97 VanDerWaalsContact C-N 3.33Å; Y95-Y97 PolarHBondContact O-N 3.26Å; Y95-L98 HydrophobicContact CD1-CD1 3.95Å; Y95-L98 HydrophobicContact CE1-CD1 4.32Å; Y95-L98 WeakPolarHBondContact O-CB 3.47Å; Y95-L98 PolarHBondContact O-N 2.8Å; Y95-A99 PolarHBondContact O-N 3Å; Y95-V110 HydrophobicContact CD1-CB 4.21Å; Y95-V110 HydrophobicContact CD1-CG1 4.29Å; Y95-E113 HydrophobicContact CD1-CB 3.86Å; Y95-E113 HydrophobicContact CD2-CB 3.78Å; Y95-E113 HydrophobicContact CE1-CB 3.8Å; Y95-E113 HydrophobicContact CE1-CG 4.29Å; Y95-E113 HydrophobicContact CE2-CB 3.7Å; Y95-E113 HydrophobicContact CE2-CG 4.49Å; Y95-E113 HydrophobicContact CG-CB 3.87Å
96R98.6Very high97.1Very high13 Ų1329.3 Ų29.35%0.04916%0.163CC..Hα-helixtrans-58.9-44171.4172.2171.27494.1-3.7111.7G92 D93 L98 A99 E100 Y118 F146 E149 I150G92-R96 VanDerWaalsContact O-CB 3.3Å; G92-R96 WeakPolarHBondContact O-CB 3.4Å; G92-R96 PolarHBondContact O-N 3.49Å; D93-R96 WeakPolarHBondContact O-CB 3.45Å; D93-R96 PolarHBondContact O-N 3.43Å; D93-R96 IonicContact OD1-CZ 2.9Å; D93-R96 IonicContact OD1-NE 2.69Å; D93-R96 IonicContact OD1-NH2 2.79Å; D93-R96 PolarHBondContact OD1-NH2 2.98Å; D93-R96 VanDerWaalsContact OD1-NH2 3.09Å; R96-L98 VanDerWaalsContact C-N 3.31Å; R96-L98 PolarHBondContact O-N 3.03Å; R96-A99 WeakPolarHBondContact O-CB 3.4Å; R96-A99 PolarHBondContact O-N 2.84Å; R96-A99 VanDerWaalsContact O-N 3.1Å; R96-E100 IonicContact NH1-OE1 3.09Å; R96-E100 PolarHBondContact O-N 3.15Å; R96-E100 VanDerWaalsContact O-N 3.12Å; R96-Y118 PolarHBondContact NE-OH 3.47Å; R96-F146 HydrophobicContact CB-CD2 4.22Å; R96-F146 HydrophobicContact CG-CD2 4.22Å; R96-E149 IonicContact NH1-OE2 3.32Å; R96-I150 HydrophobicContact CG-CD1 4.22Å; R96-I150 HydrophobicContact CG-CG1 3.8Å
97Y98.4Very high97Very high19 Ų1932.4 Ų32.48%0.07517%0.174CC..Hα-helixtrans-63.6-36.4175.7-55.4-30.1000112.6V21 R25 D93 Y94 Y95 E100V21-Y97 HydrophobicContact CG1-CD2 4.09Å; V21-Y97 HydrophobicContact CG1-CE2 3.83Å; V21-Y97 HydrophobicContact CG2-CD2 3.82Å; V21-Y97 HydrophobicContact CG2-CE2 4.41Å; V21-Y97 HydrophobicContact CG2-CG 4.47Å; R25-Y97 VanDerWaalsContact CD-CD1 3.49Å; R25-Y97 VanDerWaalsContact NE-CD1 3.28Å; D93-Y97 HydrophobicContact CB-CE2 4.14Å; D93-Y97 WeakPolarHBondContact O-CD1 3.39Å; D93-Y97 WeakPolarHBondContact O-CD2 3.36Å; D93-Y97 WeakPolarHBondContact O-CE2 3.49Å; D93-Y97 PolarHBondContact O-N 2.88Å; Y94-Y97 HydrophobicContact CD1-CD2 4.05Å; Y94-Y97 HydrophobicContact CD2-CE2 4.49Å; Y94-Y97 HydrophobicContact CE1-CD2 4.32Å; Y94-Y97 HydrophobicContact CE2-CE2 4.43Å; Y94-Y97 HydrophobicContact CG-CD2 4.25Å; Y94-Y97 PolarHBondContact O-N 2.91Å; Y95-Y97 VanDerWaalsContact C-N 3.33Å; Y95-Y97 PolarHBondContact O-N 3.26Å; Y97-E100 PolarHBondContact O-N 3.19Å
98L98.4Very high96.9Very high0 Ų037.2 Ų37.20%020%0.196CC..Hα-helixtrans-64-41.3170.7-71.2172.6000111.5K60 C63 L67 Y94 Y95 R96 E100 V101 A102 V110K60-L98 HydrophobicContact CB-CD2 4.1Å; K60-L98 HydrophobicContact CG-CD2 3.77Å; C63-L98 HydrophobicContact CB-CD1 4.07Å; C63-L98 HydrophobicContact CB-CD2 3.64Å; C63-L98 HydrophobicContact CB-CG 3.67Å; L67-L98 HydrophobicContact CD1-CD1 3.6Å; Y94-L98 WeakPolarHBondContact O-CG 3.47Å; Y94-L98 PolarHBondContact O-N 2.91Å; Y95-L98 HydrophobicContact CD1-CD1 3.95Å; Y95-L98 HydrophobicContact CE1-CD1 4.32Å; Y95-L98 WeakPolarHBondContact O-CB 3.47Å; Y95-L98 PolarHBondContact O-N 2.8Å; R96-L98 VanDerWaalsContact C-N 3.31Å; R96-L98 PolarHBondContact O-N 3.03Å; L98-E100 PolarHBondContact O-N 3.27Å; L98-V101 WeakPolarHBondContact O-CG2 3.39Å; L98-V101 PolarHBondContact O-N 3.41Å; L98-V101 VanDerWaalsContact O-N 3.12Å; L98-A102 WeakPolarHBondContact O-CB 3.44Å; L98-A102 PolarHBondContact O-N 3.2Å; L98-V110 HydrophobicContact CB-CB 4.2Å; L98-V110 HydrophobicContact CB-CG1 4.06Å; L98-V110 HydrophobicContact CB-CG2 4.46Å; L98-V110 HydrophobicContact CD1-CG1 4.36Å
99A98.1Very high96.8Very high1 Ų143.1 Ų43.11%0.00822%0.221CC..Hα-helixtrans-63.6-2717900000113.7Y95 R96 V101 V110 I111 I150Y95-A99 PolarHBondContact O-N 3Å; R96-A99 WeakPolarHBondContact O-CB 3.4Å; R96-A99 PolarHBondContact O-N 2.84Å; R96-A99 VanDerWaalsContact O-N 3.1Å; A99-V101 VanDerWaalsContact C-N 3.27Å; A99-V101 PolarHBondContact O-N 3.2Å; A99-V110 HydrophobicContact CB-CG2 3.78Å; A99-I111 HydrophobicContact CB-CG1 3.84Å; A99-I150 HydrophobicContact CB-CD1 4.39Å; A99-I150 HydrophobicContact CB-CG2 3.83Å
100E96.2Very high96.8Very high30 Ų3042 Ų4214%0.1422%0.217CC..Hα-helixtrans-63.2-32.8173.6-72.1169.9-14000112.6R25 W28 R29 R96 Y97 L98 I150R25-E100 IonicContact CZ-OE1 3.68Å; R25-E100 VanDerWaalsContact CZ-OE1 3.32Å; R25-E100 IonicContact CZ-OE2 3.75Å; R25-E100 IonicContact NE-OE1 3.92Å; R25-E100 PolarHBondContact NE-OE1 2.67Å; R25-E100 IonicContact NE-OE2 3.88Å; R25-E100 PolarHBondContact NE-OE2 2.92Å; R25-E100 VanDerWaalsContact NH2-CD 3.27Å; R25-E100 IonicContact NH2-OE1 3.59Å; R25-E100 PolarHBondContact NH2-OE1 2.87Å; R25-E100 IonicContact NH2-OE2 3.17Å; R25-E100 PolarHBondContact NH2-OE2 2.86Å; W28-E100 VanDerWaalsContact CH2-O 3.24Å; W28-E100 WeakPolarHBondContact CH2-O 3.44Å; W28-E100 HydrophobicContact CZ3-CB 4.44Å; R29-E100 IonicContact CZ-OE2 3.4Å; R29-E100 IonicContact NH2-OE1 3.87Å; R29-E100 IonicContact NH2-OE2 2.67Å; R29-E100 PolarHBondContact NH2-OE2 3.34Å; R96-E100 IonicContact NH1-OE1 3.09Å; R96-E100 PolarHBondContact O-N 3.15Å; R96-E100 VanDerWaalsContact O-N 3.12Å; Y97-E100 PolarHBondContact O-N 3.19Å; L98-E100 PolarHBondContact O-N 3.27Å; E100-I150 HydrophobicContact CG-CD1 3.84Å
101V96.2Very high96.8Very high5 Ų541.7 Ų41.73%0.0322%0.216CC..Hα-helixtrans-113.9-10.9-173.7-56.70000114.1W28 E56 L59 K60 L98 A99W28-V101 HydrophobicContact CD2-CG1 3.8Å; W28-V101 HydrophobicContact CE3-CG1 4.25Å; W28-V101 HydrophobicContact CG-CG1 4.23Å; W28-V101 HydrophobicContact CH2-CG1 4.24Å; W28-V101 HydrophobicContact CZ2-CB 4.5Å; W28-V101 HydrophobicContact CZ2-CG1 3.8Å; W28-V101 HydrophobicContact CZ3-CG1 4.45Å; E56-V101 HydrophobicContact CG-CB 4.04Å; E56-V101 HydrophobicContact CG-CG1 4.19Å; L59-V101 HydrophobicContact CD2-CB 4.49Å; L59-V101 HydrophobicContact CD2-CG1 3.56Å; L59-V101 HydrophobicContact CD2-CG2 4.11Å; K60-V101 HydrophobicContact CG-CG2 4.2Å; L98-V101 WeakPolarHBondContact O-CG2 3.39Å; L98-V101 PolarHBondContact O-N 3.41Å; L98-V101 VanDerWaalsContact O-N 3.12Å; A99-V101 VanDerWaalsContact C-N 3.27Å; A99-V101 PolarHBondContact O-N 3.2Å
102A96.2Very high96.8Very high6 Ų644.4 Ų44.45%0.0523%0.229CC..  trans-74.6145.9178.900000111.4L98 E106 R107 V110L98-A102 WeakPolarHBondContact O-CB 3.44Å; L98-A102 PolarHBondContact O-N 3.2Å; A102-E106 HydrophobicContact CB-CG 4.22Å; A102-R107 HydrophobicContact CB-CB 4.02Å; A102-R107 HydrophobicContact CB-CG 4.33Å; A102-R107 WeakPolarHBondContact O-CD 3.14Å; A102-V110 HydrophobicContact CB-CG2 3.88Å
103T92.8Very high96.8Very high107 Ų10746.8 Ų46.866%0.65624%0.24SC*.  trans-129.1155.8179.358.10000110.8
104G92.6Very high96.8Very high58 Ų5846.4 Ų46.460%0.59824%0.238SC*.THydrogen-bonded Turntrans59.5-143.7178.100000113E106 R107G104-E106 PolarHBondContact O-N 3.16Å; G104-R107 VanDerWaalsContact O-CB 3.32Å; G104-R107 WeakPolarHBondContact O-CB 3.29Å; G104-R107 PolarHBondContact O-N 3.27Å
105D91.1Very high96.8Very high138 Ų13848.6 Ų48.674%0.73825%0.248SC*.Hα-helixtrans-63.6-26.9-174-62.9-10.1000114R107D105-R107 VanDerWaalsContact C-N 3.26Å; D105-R107 PolarHBondContact O-N 3.19Å
106E93.5Very high96.8Very high69 Ų6953.1 Ų53.132%0.32227%0.265SS..Hα-helixtrans-62-38.6174.9-173.5-172.9-177.800110.6K60 A102 G104 Q108 K109 V110K60-E106 IonicContact NZ-OE1 3.52Å; K60-E106 PolarHBondContact NZ-OE1 2.98Å; K60-E106 IonicContact NZ-OE2 2.95Å; K60-E106 PolarHBondContact NZ-OE2 2.9Å; A102-E106 HydrophobicContact CB-CG 4.22Å; G104-E106 PolarHBondContact O-N 3.16Å; E106-Q108 PolarHBondContact O-N 3.13Å; E106-K109 PolarHBondContact O-N 3.06Å; E106-V110 WeakPolarHBondContact O-CG2 3.47Å; E106-V110 PolarHBondContact O-N 3.19Å; E106-V110 VanDerWaalsContact O-N 3.12Å
107R96.5Very high96.8Very high90 Ų9052.6 Ų52.634%0.3426%0.264SS..Hα-helixtrans-60.7-45.2-176.1-169.2179.1180-84.7-3.7111.7A102 G104 D105 K109 V110 I111 I150A102-R107 HydrophobicContact CB-CB 4.02Å; A102-R107 HydrophobicContact CB-CG 4.33Å; A102-R107 WeakPolarHBondContact O-CD 3.14Å; G104-R107 VanDerWaalsContact O-CB 3.32Å; G104-R107 WeakPolarHBondContact O-CB 3.29Å; G104-R107 PolarHBondContact O-N 3.27Å; D105-R107 VanDerWaalsContact C-N 3.26Å; D105-R107 PolarHBondContact O-N 3.19Å; R107-K109 VanDerWaalsContact C-N 3.33Å; R107-K109 PolarHBondContact O-N 3.05Å; R107-V110 WeakPolarHBondContact O-CG2 3.44Å; R107-V110 PolarHBondContact O-N 3.19Å; R107-I111 HydrophobicContact CG-CD1 3.93Å; R107-I111 VanDerWaalsContact CZ-CD1 3.48Å; R107-I111 VanDerWaalsContact O-CG1 3.23Å; R107-I111 WeakPolarHBondContact O-CG1 3.4Å; R107-I111 PolarHBondContact O-N 3.41Å; R107-I111 VanDerWaalsContact O-N 3.08Å; R107-I150 PolarHBondContact NH2-O 3Å; R107-I150 VanDerWaalsContact NH2-O 3.09Å
108Q96.5Very high96.8Very high102 Ų10251.7 Ų51.748%0.47726%0.26SS..Hα-helixtrans-63.9-41.1-178.5-174.456.434.500111.6E106 I111 E112E106-Q108 PolarHBondContact O-N 3.13Å; Q108-I111 PolarHBondContact O-N 2.88Å; Q108-E112 WeakPolarHBondContact CG-OE1 3.47Å; Q108-E112 PolarHBondContact NE2-OE1 3.14Å; Q108-E112 WeakPolarHBondContact O-CG 3.27Å; Q108-E112 PolarHBondContact O-N 3.29Å
109K97.2Very high96.8Very high141 Ų14154.5 Ų54.561%0.61328%0.275SS*.Hα-helixtrans-63.2-45.7178.4-65.5175.6-175.3174.10112.3E106 R107 I111 E112 E113E106-K109 PolarHBondContact O-N 3.06Å; R107-K109 VanDerWaalsContact C-N 3.33Å; R107-K109 PolarHBondContact O-N 3.05Å; K109-I111 VanDerWaalsContact C-N 3.29Å; K109-I111 PolarHBondContact O-N 2.76Å; K109-E112 PolarHBondContact O-N 3.03Å; K109-E113 WeakPolarHBondContact O-CG 3.27Å; K109-E113 PolarHBondContact O-N 3.35Å
110V98.1Very high96.8Very high11 Ų1157.9 Ų57.97%0.06729%0.293CS..Hα-helixtrans-68.2-30.4179.3-61.70000112.1Y95 L98 A99 A102 E106 R107 S114Y95-V110 HydrophobicContact CD1-CB 4.21Å; Y95-V110 HydrophobicContact CD1-CG1 4.29Å; L98-V110 HydrophobicContact CB-CB 4.2Å; L98-V110 HydrophobicContact CB-CG1 4.06Å; L98-V110 HydrophobicContact CB-CG2 4.46Å; L98-V110 HydrophobicContact CD1-CG1 4.36Å; A99-V110 HydrophobicContact CB-CG2 3.78Å; A102-V110 HydrophobicContact CB-CG2 3.88Å; E106-V110 WeakPolarHBondContact O-CG2 3.47Å; E106-V110 PolarHBondContact O-N 3.19Å; E106-V110 VanDerWaalsContact O-N 3.12Å; R107-V110 WeakPolarHBondContact O-CG2 3.44Å; R107-V110 PolarHBondContact O-N 3.19Å; V110-S114 VanDerWaalsContact O-CB 3.29Å; V110-S114 WeakPolarHBondContact O-CB 3.43Å; V110-S114 PolarHBondContact O-N 3.35Å
111I98.5Very high97Very high4 Ų456.4 Ų56.42%0.02129%0.286CS..Hα-helixtrans-65.2-47.6173.2-73.6174000111.2A99 R107 Q108 K109 E113 S114 Q115 F146 I150 L151A99-I111 HydrophobicContact CB-CG1 3.84Å; R107-I111 HydrophobicContact CG-CD1 3.93Å; R107-I111 VanDerWaalsContact CZ-CD1 3.48Å; R107-I111 VanDerWaalsContact O-CG1 3.23Å; R107-I111 WeakPolarHBondContact O-CG1 3.4Å; R107-I111 PolarHBondContact O-N 3.41Å; R107-I111 VanDerWaalsContact O-N 3.08Å; Q108-I111 PolarHBondContact O-N 2.88Å; K109-I111 VanDerWaalsContact C-N 3.29Å; K109-I111 PolarHBondContact O-N 2.76Å; I111-E113 VanDerWaalsContact C-N 3.35Å; I111-E113 PolarHBondContact O-N 2.83Å; I111-S114 WeakPolarHBondContact O-CB 3.45Å; I111-S114 PolarHBondContact O-N 3.12Å; I111-Q115 WeakPolarHBondContact O-CB 3.45Å; I111-Q115 PolarHBondContact O-N 2.82Å; I111-F146 HydrophobicContact CG2-CZ 4.08Å; I111-I150 HydrophobicContact CD1-CG2 3.78Å; I111-I150 HydrophobicContact CG1-CG2 3.61Å; I111-L151 HydrophobicContact CG2-CD2 3.53Å
112E98.2Very high97.1Very high90 Ų9058 Ų5842%0.42129%0.293SS..Hα-helixtrans-62-42.4178.9-73.5168.5-169.100111.8Q108 K109 Q115 R116Q108-E112 WeakPolarHBondContact CG-OE1 3.47Å; Q108-E112 PolarHBondContact NE2-OE1 3.14Å; Q108-E112 WeakPolarHBondContact O-CG 3.27Å; Q108-E112 PolarHBondContact O-N 3.29Å; K109-E112 PolarHBondContact O-N 3.03Å; E112-Q115 PolarHBondContact O-N 3.41Å; E112-R116 VanDerWaalsContact O-CB 3.31Å; E112-R116 WeakPolarHBondContact O-CB 3.45Å; E112-R116 PolarHBondContact O-N 2.98Å
113E98.6Very high97.2Very high49 Ų4962.8 Ų62.823%0.22932%0.317CS..Hα-helixtrans-67.8-39.4176.5-70.7-61137.100112.4Y95 K109 I111 R116 A117Y95-E113 HydrophobicContact CD1-CB 3.86Å; Y95-E113 HydrophobicContact CD2-CB 3.78Å; Y95-E113 HydrophobicContact CE1-CB 3.8Å; Y95-E113 HydrophobicContact CE1-CG 4.29Å; Y95-E113 HydrophobicContact CE2-CB 3.7Å; Y95-E113 HydrophobicContact CE2-CG 4.49Å; Y95-E113 HydrophobicContact CG-CB 3.87Å; K109-E113 WeakPolarHBondContact O-CG 3.27Å; K109-E113 PolarHBondContact O-N 3.35Å; I111-E113 VanDerWaalsContact C-N 3.35Å; I111-E113 PolarHBondContact O-N 2.83Å; E113-R116 PolarHBondContact O-N 3.22Å; E113-R116 IonicContact OE1-CZ 3.33Å; E113-R116 IonicContact OE1-NH1 3.06Å; E113-R116 PolarHBondContact OE1-NH1 3.08Å; E113-R116 IonicContact OE1-NH2 2.84Å; E113-R116 PolarHBondContact OE1-NH2 3.35Å; E113-R116 VanDerWaalsContact OE1-NH2 3.17Å; E113-A117 WeakPolarHBondContact O-CB 3.16Å; E113-A117 PolarHBondContact O-N 2.95Å
114S98.8Very high97.5Very high0 Ų059.4 Ų59.40%030%0.295CS..Hα-helixtrans-58.1-52.3172.2176.70000110.9G92 V110 I111 R116 A117 Y118 F146G92-S114 PolarHBondContact O-OG 3.41Å; V110-S114 VanDerWaalsContact O-CB 3.29Å; V110-S114 WeakPolarHBondContact O-CB 3.43Å; V110-S114 PolarHBondContact O-N 3.35Å; I111-S114 WeakPolarHBondContact O-CB 3.45Å; I111-S114 PolarHBondContact O-N 3.12Å; S114-R116 VanDerWaalsContact C-N 3.34Å; S114-R116 PolarHBondContact O-N 3.41Å; S114-A117 PolarHBondContact O-N 2.97Å; S114-Y118 WeakPolarHBondContact O-CD2 3.43Å; S114-Y118 PolarHBondContact O-N 2.89Å; S114-Y118 VanDerWaalsContact O-N 3.08Å; S114-Y118 WeakPolarHBondContact OG-CE2 3.18Å; S114-F146 VanDerWaalsContact OG-CD2 3.28Å; S114-F146 WeakPolarHBondContact OG-CD2 3.4Å; S114-F146 WeakPolarHBondContact OG-CE2 3.31Å
115Q98.7Very high97.7Very high53 Ų5356.6 Ų56.625%0.24827%0.266CS..Hα-helixtrans-62.7-41.5-178.7-171.6173.22.200111.8I111 E112 Y118 N119 F143 F146I111-Q115 WeakPolarHBondContact O-CB 3.45Å; I111-Q115 PolarHBondContact O-N 2.82Å; E112-Q115 PolarHBondContact O-N 3.41Å; Q115-Y118 PolarHBondContact O-N 3.18Å; Q115-N119 WeakPolarHBondContact O-CB 3.45Å; Q115-N119 VanDerWaalsContact O-CG 3.29Å; Q115-N119 PolarHBondContact O-N 3.17Å; Q115-N119 PolarHBondContact O-ND2 3.21Å; Q115-F143 HydrophobicContact CG-CE2 4.39Å; Q115-F143 HydrophobicContact CG-CZ 4.28Å; Q115-F146 HydrophobicContact CB-CE1 3.88Å; Q115-F146 HydrophobicContact CB-CZ 3.9Å; Q115-F146 HydrophobicContact CG-CE1 4.17Å
116R98.8Very high98Very high129 Ų12956.9 Ų56.949%0.48726%0.261SS..Hα-helixtrans-59.6-49.9176-171.9-175.8-55.3172.213.2111.4E112 E113 S114 Y118 N119 D120E112-R116 VanDerWaalsContact O-CB 3.31Å; E112-R116 WeakPolarHBondContact O-CB 3.45Å; E112-R116 PolarHBondContact O-N 2.98Å; E113-R116 PolarHBondContact O-N 3.22Å; E113-R116 IonicContact OE1-CZ 3.33Å; E113-R116 IonicContact OE1-NH1 3.06Å; E113-R116 PolarHBondContact OE1-NH1 3.08Å; E113-R116 IonicContact OE1-NH2 2.84Å; E113-R116 PolarHBondContact OE1-NH2 3.35Å; E113-R116 VanDerWaalsContact OE1-NH2 3.17Å; S114-R116 VanDerWaalsContact C-N 3.34Å; S114-R116 PolarHBondContact O-N 3.41Å; R116-Y118 VanDerWaalsContact C-N 3.31Å; R116-Y118 PolarHBondContact O-N 2.86Å; R116-N119 PolarHBondContact O-N 2.67Å; R116-D120 VanDerWaalsContact O-CG 3.26Å; R116-D120 PolarHBondContact O-N 3.47Å
117A98.9Very high98.2Very high2 Ų259.7 Ų59.72%0.01728%0.278CS..Hα-helixtrans-61.1-38.9-179.500000112.6K91 E113 S114 A121K91-A117 HydrophobicContact CB-CB 4.06Å; K91-A117 HydrophobicContact CD-CB 4.19Å; K91-A117 HydrophobicContact CG-CB 3.92Å; E113-A117 WeakPolarHBondContact O-CB 3.16Å; E113-A117 PolarHBondContact O-N 2.95Å; S114-A117 PolarHBondContact O-N 2.97Å; A117-A121 WeakPolarHBondContact O-CB 3.24Å; A117-A121 PolarHBondContact O-N 3.38Å; A117-A121 VanDerWaalsContact O-N 3.09Å
118Y98.9Very high98.2Very high0 Ų061.4 Ų61.40%029%0.29CS..Hα-helixtrans-67.1-43.1174-74-56.6000112.9G92 D93 R96 S114 Q115 R116 A121 F122 L139 N142 F143 F146G92-Y118 VanDerWaalsContact C-CZ 3.44Å; G92-Y118 PolarHBondContact O-OH 3.06Å; D93-Y118 WeakPolarHBondContact CA-OH 3.42Å; D93-Y118 PolarHBondContact N-OH 2.84Å; D93-Y118 PolarHBondContact OD1-OH 3.22Å; R96-Y118 PolarHBondContact NE-OH 3.47Å; S114-Y118 WeakPolarHBondContact O-CD2 3.43Å; S114-Y118 PolarHBondContact O-N 2.89Å; S114-Y118 VanDerWaalsContact O-N 3.08Å; S114-Y118 WeakPolarHBondContact OG-CE2 3.18Å; Q115-Y118 PolarHBondContact O-N 3.18Å; R116-Y118 VanDerWaalsContact C-N 3.31Å; R116-Y118 PolarHBondContact O-N 2.86Å; Y118-A121 WeakPolarHBondContact O-CB 3.39Å; Y118-A121 PolarHBondContact O-N 2.96Å; Y118-F122 WeakPolarHBondContact O-CB 3.24Å; Y118-F122 WeakPolarHBondContact O-CD2 3.18Å; Y118-F122 PolarHBondContact O-N 3.47Å; Y118-L139 HydrophobicContact CD1-CD1 3.67Å; Y118-L139 HydrophobicContact CE1-CD1 4.37Å; Y118-N142 HydrophobicContact CE1-CB 4.25Å; Y118-F143 VanDerWaalsContact CB-CD2 3.43Å; Y118-F143 VanDerWaalsContact CB-CE2 3.43Å; Y118-F143 HydrophobicContact CD1-CB 3.93Å; Y118-F143 HydrophobicContact CD1-CD2 4.19Å; Y118-F143 HydrophobicContact CD1-CG 4.15Å; Y118-F143 HydrophobicContact CD2-CB 4.49Å; Y118-F143 AromaticContact CD2-CD2 3.32Å; Y118-F143 HydrophobicContact CD2-CD2 3.32Å; Y118-F143 AromaticContact CD2-CE2 3.66Å; Y118-F143 HydrophobicContact CD2-CE2 3.66Å; Y118-F143 HydrophobicContact CD2-CG 4.1Å; Y118-F143 HydrophobicContact CE1-CB 4.34Å; Y118-F143 HydrophobicContact CE2-CD2 4.08Å; Y118-F143 HydrophobicContact CG-CB 4.02Å; Y118-F143 HydrophobicContact CG-CD1 4.39Å; Y118-F143 AromaticContact CG-CD2 3.4Å; Y118-F143 HydrophobicContact CG-CD2 3.4Å; Y118-F143 AromaticContact CG-CE2 3.82Å; Y118-F143 HydrophobicContact CG-CE2 3.82Å; Y118-F143 AromaticContact CG-CG 3.71Å; Y118-F143 HydrophobicContact CG-CG 3.71Å; Y118-F143 HydrophobicContact CG-CZ 4.43Å; Y118-F146 HydrophobicContact CD2-CB 4.39Å; Y118-F146 HydrophobicContact CD2-CD1 4.36Å; Y118-F146 HydrophobicContact CD2-CG 4.25Å; Y118-F146 HydrophobicContact CE2-CB 3.85Å; Y118-F146 HydrophobicContact CE2-CD2 4.24Å; Y118-F146 AromaticContact CE2-CG 3.96Å; Y118-F146 HydrophobicContact CE2-CG 3.96Å
119N98.8Very high98.3Very high60 Ų6057.2 Ų57.232%0.32127%0.271SS..Hα-helixtrans-61.8-47.1176.9-74.2-25.2000111.4Q115 R116 A121 F122 D123 F143Q115-N119 WeakPolarHBondContact O-CB 3.45Å; Q115-N119 VanDerWaalsContact O-CG 3.29Å; Q115-N119 PolarHBondContact O-N 3.17Å; Q115-N119 PolarHBondContact O-ND2 3.21Å; R116-N119 PolarHBondContact O-N 2.67Å; N119-A121 VanDerWaalsContact C-N 3.26Å; N119-A121 PolarHBondContact O-N 3.41Å; N119-F122 WeakPolarHBondContact O-CB 3.34Å; N119-F122 PolarHBondContact O-N 3.17Å; N119-D123 PolarHBondContact O-N 3.14Å; N119-F143 WeakPolarHBondContact OD1-CE1 3.46Å; N119-F143 WeakPolarHBondContact OD1-CZ 3.37Å
120D98.7Very high98.2Very high71 Ų7156 Ų5638%0.3827%0.267SS..Hα-helixtrans-58.5-39.8176.8-66.7-14.7000111.3L88 R116 I124L88-D120 HydrophobicContact CD1-CB 4.09Å; L88-D120 HydrophobicContact CD2-CB 4.27Å; R116-D120 VanDerWaalsContact O-CG 3.26Å; R116-D120 PolarHBondContact O-N 3.47Å; D120-I124 WeakPolarHBondContact O-CG1 3.39Å; D120-I124 PolarHBondContact O-N 3.47Å
121A98.8Very high98.2Very high0 Ų056 Ų560%027%0.268CS..Hα-helixtrans-65.3-42.1174.600000111.8V85 L88 A117 Y118 N119 I124 A125 L139V85-A121 HydrophobicContact CG1-CB 4.33Å; L88-A121 HydrophobicContact CB-CB 3.71Å; A117-A121 WeakPolarHBondContact O-CB 3.24Å; A117-A121 PolarHBondContact O-N 3.38Å; A117-A121 VanDerWaalsContact O-N 3.09Å; Y118-A121 WeakPolarHBondContact O-CB 3.39Å; Y118-A121 PolarHBondContact O-N 2.96Å; N119-A121 VanDerWaalsContact C-N 3.26Å; N119-A121 PolarHBondContact O-N 3.41Å; A121-I124 PolarHBondContact O-N 3.22Å; A121-A125 VanDerWaalsContact O-CB 3.28Å; A121-A125 WeakPolarHBondContact O-CB 3.47Å; A121-A125 PolarHBondContact O-N 3.48Å; A121-L139 HydrophobicContact CB-CD1 3.75Å; A121-L139 HydrophobicContact CB-CD2 3.7Å; A121-L139 HydrophobicContact CB-CG 4.38Å
122F98.4Very high98.1Very high39 Ų3956.1 Ų56.117%0.17127%0.268CS..Hα-helixtrans-65.7-40.8179.9-105.5-80.1000112.4Y118 N119 I124 A125 K126 L139 A140 F143 L160Y118-F122 WeakPolarHBondContact O-CB 3.24Å; Y118-F122 WeakPolarHBondContact O-CD2 3.18Å; Y118-F122 PolarHBondContact O-N 3.47Å; N119-F122 WeakPolarHBondContact O-CB 3.34Å; N119-F122 PolarHBondContact O-N 3.17Å; F122-I124 VanDerWaalsContact C-N 3.29Å; F122-I124 PolarHBondContact O-N 3.29Å; F122-A125 PolarHBondContact O-N 2.89Å; F122-K126 VanDerWaalsContact O-CB 3.26Å; F122-K126 WeakPolarHBondContact O-CB 3.33Å; F122-K126 PolarHBondContact O-N 3.33Å; F122-L139 HydrophobicContact CB-CD2 4.38Å; F122-L139 HydrophobicContact CD1-CD2 4.44Å; F122-L139 HydrophobicContact CD2-CD1 3.94Å; F122-L139 HydrophobicContact CD2-CD2 3.59Å; F122-L139 HydrophobicContact CD2-CG 3.64Å; F122-L139 HydrophobicContact CE2-CD1 3.97Å; F122-L139 HydrophobicContact CE2-CD2 3.86Å; F122-L139 HydrophobicContact CE2-CG 3.46Å; F122-L139 VanDerWaalsContact CE2-CG 3.46Å; F122-L139 HydrophobicContact CG-CD2 3.91Å; F122-L139 HydrophobicContact CG-CG 4.42Å; F122-L139 HydrophobicContact CZ-CD2 4.41Å; F122-L139 HydrophobicContact CZ-CG 4.14Å; F122-A140 HydrophobicContact CZ-CB 3.84Å; F122-F143 AromaticContact CD2-CD1 3.49Å; F122-F143 HydrophobicContact CD2-CD1 3.49Å; F122-F143 VanDerWaalsContact CD2-CD1 3.49Å; F122-F143 HydrophobicContact CD2-CE1 4Å; F122-F143 HydrophobicContact CD2-CG 4.45Å; F122-F143 HydrophobicContact CE2-CB 3.88Å; F122-F143 AromaticContact CE2-CD1 3.38Å; F122-F143 HydrophobicContact CE2-CD1 3.38Å; F122-F143 HydrophobicContact CE2-CE1 4.3Å; F122-F143 HydrophobicContact CE2-CG 4.11Å; F122-F143 HydrophobicContact CZ-CD1 4.4Å; F122-L160 HydrophobicContact CE1-CD1 3.91Å; F122-L160 HydrophobicContact CE2-CD1 4.41Å; F122-L160 HydrophobicContact CE2-CD2 4.16Å; F122-L160 HydrophobicContact CZ-CD1 3.64Å; F122-L160 HydrophobicContact CZ-CD2 4.05Å; F122-L160 HydrophobicContact CZ-CG 4.24Å
123D98.3Very high98Very high105 Ų10553.6 Ų53.656%0.56126%0.257SS*.Hα-helixtrans-61.5-38.6178.1-75.4-17.8000111.7N119 N127N119-D123 PolarHBondContact O-N 3.14Å; D123-N127 PolarHBondContact O-ND2 3.32Å
124I98.7Very high97.9Very high36 Ų3652.2 Ų52.219%0.18525%0.252CS..Hα-helixtrans-72.5-49.3174.5-60.9170.2000110.3A81 K84 V85 L88 D120 A121 F122 K126 N127 Q128A81-I124 HydrophobicContact CB-CG2 4.04Å; K84-I124 HydrophobicContact CB-CD1 3.96Å; K84-I124 HydrophobicContact CD-CD1 4.34Å; V85-I124 HydrophobicContact CG2-CB 3.72Å; V85-I124 HydrophobicContact CG2-CG2 3.56Å; L88-I124 HydrophobicContact CD1-CD1 3.74Å; D120-I124 WeakPolarHBondContact O-CG1 3.39Å; D120-I124 PolarHBondContact O-N 3.47Å; A121-I124 PolarHBondContact O-N 3.22Å; F122-I124 VanDerWaalsContact C-N 3.29Å; F122-I124 PolarHBondContact O-N 3.29Å; I124-K126 PolarHBondContact O-N 3.41Å; I124-N127 PolarHBondContact O-N 3.02Å; I124-Q128 WeakPolarHBondContact O-CB 3.11Å; I124-Q128 PolarHBondContact O-N 3.38Å
125A98.5Very high97.9Very high0 Ų053.3 Ų53.30%026%0.257CS..Hα-helixtrans-62.1-41.5-174.100000112.6V85 A121 F122 N127 M129 R136 L139V85-A125 HydrophobicContact CG1-CB 4.07Å; V85-A125 HydrophobicContact CG2-CB 4.01Å; A121-A125 VanDerWaalsContact O-CB 3.28Å; A121-A125 WeakPolarHBondContact O-CB 3.47Å; A121-A125 PolarHBondContact O-N 3.48Å; F122-A125 PolarHBondContact O-N 2.89Å; A125-N127 VanDerWaalsContact C-N 3.26Å; A125-N127 PolarHBondContact O-N 3.48Å; A125-M129 HydrophobicContact CB-SD 3.99Å; A125-M129 WeakPolarHBondContact O-CB 3.33Å; A125-M129 PolarHBondContact O-N 3.14Å; A125-R136 HydrophobicContact CB-CB 4.4Å; A125-R136 HydrophobicContact CB-CG 4.12Å; A125-L139 HydrophobicContact CB-CD2 4.02Å
126K97Very high97.9Very high143 Ų14352.7 Ų52.762%0.62225%0.253SS*.Hα-helixtrans-62.1-33.9-179.7-173.3176.8-179.7178.90112.6F122 I124F122-K126 VanDerWaalsContact O-CB 3.26Å; F122-K126 WeakPolarHBondContact O-CB 3.33Å; F122-K126 PolarHBondContact O-N 3.33Å; I124-K126 PolarHBondContact O-N 3.41Å
127N96.6Very high97.9Very high129 Ų12946.6 Ų46.669%0.6923%0.23SC*.Hα-helixtrans-93.8-22.6-174.8-69.1-50.9000113.8D123 I124 A125D123-N127 PolarHBondContact O-ND2 3.32Å; I124-N127 PolarHBondContact O-N 3.02Å; A125-N127 VanDerWaalsContact C-N 3.26Å; A125-N127 PolarHBondContact O-N 3.48Å
128Q98Very high97.9Very high126 Ų12646.9 Ų46.959%0.58923%0.233SC*.Hα-helixtrans-129.4-0.6-167-60.7-177.751.100114.4A81 I124A81-Q128 HydrophobicContact CB-CB 3.72Å; I124-Q128 WeakPolarHBondContact O-CB 3.11Å; I124-Q128 PolarHBondContact O-N 3.38Å
129M97Very high97.9Very high14 Ų1446.9 Ų46.97%0.06923%0.233CC..SBendtrans-133.5139.2-177.1-55.8176.668.900110.8A81 E82 V85 A125 H133 I135 R136A81-M129 HydrophobicContact CB-CG 4.44Å; E82-M129 HydrophobicContact CG-CE 4.22Å; V85-M129 HydrophobicContact CB-SD 3.9Å; V85-M129 HydrophobicContact CG1-SD 4.06Å; V85-M129 HydrophobicContact CG2-SD 3.68Å; A125-M129 HydrophobicContact CB-SD 3.99Å; A125-M129 WeakPolarHBondContact O-CB 3.33Å; A125-M129 PolarHBondContact O-N 3.14Å; M129-H133 HydrophobicContact CB-CB 4.4Å; M129-H133 HydrophobicContact CE-CB 4.22Å; M129-H133 VanDerWaalsContact CE-CE1 3.41Å; M129-H133 WeakPolarHBondContact CE-CE1 3.32Å; M129-H133 VanDerWaalsContact CE-CG 3.45Å; M129-H133 WeakPolarHBondContact CE-ND1 3.37Å; M129-I135 HydrophobicContact CE-CB 3.83Å; M129-I135 HydrophobicContact CE-CG2 4.02Å; M129-R136 HydrophobicContact CB-CB 4.41Å; M129-R136 HydrophobicContact CE-CB 4.39Å; M129-R136 PolarHBondContact O-NH1 3.33Å
130Q96.5Very high97.9Very high116 Ų11644.1 Ų44.154%0.54222%0.218SC..  trans-63.2145.5176.2-63.1-59.5-13.900111.1T132 H133 R136 E171Q130-T132 PolarHBondContact O-N 2.98Å; Q130-T132 VanDerWaalsContact O-N 3.15Å; Q130-H133 WeakPolarHBondContact O-CB 3.46Å; Q130-H133 PolarHBondContact O-N 3.4Å; Q130-R136 WeakPolarHBondContact O-CD 3.42Å; Q130-E171 PolarHBondContact OE1-OE2 3.29Å
131P97.4Very high97.9Very high11 Ų1141.7 Ų41.77%0.07121%0.205CC..THydrogen-bonded Turntrans-50.6-34.5174.1-28.336.1000114.2H133 L137 D167 E171P131-H133 VanDerWaalsContact C-N 3.28Å; P131-H133 PolarHBondContact O-N 3.42Å; P131-L137 WeakPolarHBondContact O-CD2 3.2Å; P131-L137 WeakPolarHBondContact O-CG 3.3Å; P131-D167 HydrophobicContact CB-CB 3.92Å; P131-D167 HydrophobicContact CG-CB 4.39Å; P131-E171 VanDerWaalsContact CD-OE2 3.28Å; P131-E171 WeakPolarHBondContact CD-OE2 3.38Å
132T96.8Very high97.9Very high6 Ų643.1 Ų43.14%0.03721%0.213CC..THydrogen-bonded Turntrans-79.9-3.7179.356.30000114.1Q130 A168 E171 S183Q130-T132 PolarHBondContact O-N 2.98Å; Q130-T132 VanDerWaalsContact O-N 3.15Å; T132-A168 HydrophobicContact CG2-CB 4.43Å; T132-A168 WeakPolarHBondContact CG2-O 3.45Å; T132-E171 HydrophobicContact CG2-CB 3.97Å; T132-E171 WeakPolarHBondContact CG2-O 3.41Å; T132-S183 WeakPolarHBondContact O-CB 3.48Å; T132-S183 PolarHBondContact O-OG 3.18Å
133H96.6Very high97.9Very high37 Ų3741.4 Ų41.417%0.17121%0.206CC..  trans-67.9128-176.8-172.6-60.7000111.4E82 M129 Q130 P131 I135 R136 L137E82-H133 IonicContact OE1-CD2 3.92Å; E82-H133 IonicContact OE1-NE2 3.04Å; E82-H133 PolarHBondContact OE1-NE2 2.85Å; M129-H133 HydrophobicContact CB-CB 4.4Å; M129-H133 HydrophobicContact CE-CB 4.22Å; M129-H133 VanDerWaalsContact CE-CE1 3.41Å; M129-H133 WeakPolarHBondContact CE-CE1 3.32Å; M129-H133 VanDerWaalsContact CE-CG 3.45Å; M129-H133 WeakPolarHBondContact CE-ND1 3.37Å; Q130-H133 WeakPolarHBondContact O-CB 3.46Å; Q130-H133 PolarHBondContact O-N 3.4Å; P131-H133 VanDerWaalsContact C-N 3.28Å; P131-H133 PolarHBondContact O-N 3.42Å; H133-I135 PolarHBondContact ND1-N 3Å; H133-I135 PolarHBondContact O-N 3.31Å; H133-R136 HydrophobicContact CB-CB 4.25Å; H133-R136 PolarHBondContact O-N 3.39Å; H133-L137 PolarHBondContact O-N 3.07Å
134P96.9Very high97.9Very high19 Ų1936.4 Ų36.412%0.12318%0.179CC..Hα-helixtrans-53.6-44.4-175.1-25.228.5000114.7R136 L137 G138 D182 S183 I186P134-R136 PolarHBondContact O-N 3.35Å; P134-L137 PolarHBondContact O-N 3.33Å; P134-G138 PolarHBondContact O-N 3Å; P134-D182 HydrophobicContact CB-CB 4.1Å; P134-D182 HydrophobicContact CG-CB 4.1Å; P134-S183 VanDerWaalsContact CD-OG 3.31Å; P134-S183 WeakPolarHBondContact CD-OG 3.23Å; P134-S183 VanDerWaalsContact CG-OG 3.3Å; P134-S183 WeakPolarHBondContact CG-OG 3.44Å; P134-I186 HydrophobicContact CB-CD1 4.15Å; P134-I186 VanDerWaalsContact O-CD1 3.3Å; P134-I186 WeakPolarHBondContact O-CD1 3.5Å
135I97.9Very high97.9Very high24 Ų2435.6 Ų35.612%0.12318%0.176CC..Hα-helixtrans-62.5-40.1177-63.5172.6000112.4E82 V85 F86 M129 H133 G138 L139E82-I135 HydrophobicContact CB-CD1 4.19Å; V85-I135 HydrophobicContact CB-CG2 4.2Å; V85-I135 HydrophobicContact CG1-CG2 3.71Å; F86-I135 HydrophobicContact CB-CD1 4.37Å; F86-I135 HydrophobicContact CB-CG2 4.47Å; F86-I135 HydrophobicContact CD2-CD1 4.02Å; F86-I135 HydrophobicContact CD2-CG1 4.28Å; M129-I135 HydrophobicContact CE-CB 3.83Å; M129-I135 HydrophobicContact CE-CG2 4.02Å; H133-I135 PolarHBondContact ND1-N 3Å; H133-I135 PolarHBondContact O-N 3.31Å; I135-G138 PolarHBondContact O-N 2.99Å; I135-L139 WeakPolarHBondContact O-CB 3.44Å; I135-L139 PolarHBondContact O-N 3.13Å
136R98.2Very high97.9Very high39 Ų3935.6 Ų35.615%0.14718%0.176CC..Hα-helixtrans-67.9-44.5177.9176174.3168.8-179.9-8.2110.9A125 M129 Q130 H133 P134 G138 L139 A140 D167A125-R136 HydrophobicContact CB-CB 4.4Å; A125-R136 HydrophobicContact CB-CG 4.12Å; M129-R136 HydrophobicContact CB-CB 4.41Å; M129-R136 HydrophobicContact CE-CB 4.39Å; M129-R136 PolarHBondContact O-NH1 3.33Å; Q130-R136 WeakPolarHBondContact O-CD 3.42Å; H133-R136 HydrophobicContact CB-CB 4.25Å; H133-R136 PolarHBondContact O-N 3.39Å; P134-R136 PolarHBondContact O-N 3.35Å; R136-G138 VanDerWaalsContact C-N 3.34Å; R136-G138 PolarHBondContact O-N 3.14Å; R136-L139 WeakPolarHBondContact O-CB 3.38Å; R136-L139 PolarHBondContact O-N 3.07Å; R136-A140 PolarHBondContact O-N 2.88Å; R136-A140 VanDerWaalsContact O-N 3.08Å; R136-D167 IonicContact NH2-OD2 3.22Å
137L98.5Very high98Very high1 Ų130.1 Ų30.11%0.00515%0.151CC..Hα-helixtrans-60.5-44.9173.8-72.6168.5000111.4P131 H133 P134 L139 A140 L141 A168 I186 M187 L190P131-L137 WeakPolarHBondContact O-CD2 3.2Å; P131-L137 WeakPolarHBondContact O-CG 3.3Å; H133-L137 PolarHBondContact O-N 3.07Å; P134-L137 PolarHBondContact O-N 3.33Å; L137-L139 VanDerWaalsContact C-N 3.29Å; L137-L139 PolarHBondContact O-N 2.68Å; L137-A140 PolarHBondContact O-N 3.43Å; L137-L141 PolarHBondContact O-N 2.87Å; L137-A168 HydrophobicContact CD1-CB 4.47Å; L137-A168 HydrophobicContact CD2-CB 3.61Å; L137-I186 HydrophobicContact CB-CB 4.16Å; L137-I186 HydrophobicContact CB-CD1 4.49Å; L137-I186 HydrophobicContact CB-CG2 3.61Å; L137-M187 HydrophobicContact CD1-CG 3.94Å; L137-M187 HydrophobicContact CD1-SD 4.38Å; L137-M187 HydrophobicContact CD2-CG 4.15Å; L137-L190 HydrophobicContact CD2-CD1 4.11Å
138G98.6Very high98.1Very high9 Ų926.7 Ų26.79%0.09313%0.129CC..Hα-helixtrans-64.6-33.4178.100000112.8K89 P134 I135 R136 N142K89-G138 WeakPolarHBondContact CE-O 3.49Å; P134-G138 PolarHBondContact O-N 3Å; I135-G138 PolarHBondContact O-N 2.99Å; R136-G138 VanDerWaalsContact C-N 3.34Å; R136-G138 PolarHBondContact O-N 3.14Å; G138-N142 PolarHBondContact O-N 3.31Å; G138-N142 VanDerWaalsContact O-N 3.08Å
139L98.9Very high98Very high0 Ų025.6 Ų25.60%012%0.124CC..Hα-helixtrans-62.9-48.1171.4168.164.3000110.9V85 K89 Y118 A121 F122 A125 I135 R136 L137 L141 N142 F143V85-L139 HydrophobicContact CG1-CD2 3.96Å; K89-L139 HydrophobicContact CB-CD1 4.05Å; K89-L139 HydrophobicContact CD-CB 4.1Å; K89-L139 HydrophobicContact CG-CB 4.3Å; K89-L139 HydrophobicContact CG-CD1 4.03Å; Y118-L139 HydrophobicContact CD1-CD1 3.67Å; Y118-L139 HydrophobicContact CE1-CD1 4.37Å; A121-L139 HydrophobicContact CB-CD1 3.75Å; A121-L139 HydrophobicContact CB-CD2 3.7Å; A121-L139 HydrophobicContact CB-CG 4.38Å; F122-L139 HydrophobicContact CB-CD2 4.38Å; F122-L139 HydrophobicContact CD1-CD2 4.44Å; F122-L139 HydrophobicContact CD2-CD1 3.94Å; F122-L139 HydrophobicContact CD2-CD2 3.59Å; F122-L139 HydrophobicContact CD2-CG 3.64Å; F122-L139 HydrophobicContact CE2-CD1 3.97Å; F122-L139 HydrophobicContact CE2-CD2 3.86Å; F122-L139 HydrophobicContact CE2-CG 3.46Å; F122-L139 VanDerWaalsContact CE2-CG 3.46Å; F122-L139 HydrophobicContact CG-CD2 3.91Å; F122-L139 HydrophobicContact CG-CG 4.42Å; F122-L139 HydrophobicContact CZ-CD2 4.41Å; F122-L139 HydrophobicContact CZ-CG 4.14Å; A125-L139 HydrophobicContact CB-CD2 4.02Å; I135-L139 WeakPolarHBondContact O-CB 3.44Å; I135-L139 PolarHBondContact O-N 3.13Å; R136-L139 WeakPolarHBondContact O-CB 3.38Å; R136-L139 PolarHBondContact O-N 3.07Å; L137-L139 VanDerWaalsContact C-N 3.29Å; L137-L139 PolarHBondContact O-N 2.68Å; L139-L141 PolarHBondContact O-N 3.21Å; L139-N142 PolarHBondContact O-N 3.43Å; L139-F143 WeakPolarHBondContact O-CB 3.35Å; L139-F143 PolarHBondContact O-N 2.91Å
140A98.8Very high98Very high1 Ų125.4 Ų25.41%0.00812%0.123CC..Hα-helixtrans-61.6-43.117700000112.6F122 R136 L137 N142 F143 S144 A164F122-A140 HydrophobicContact CZ-CB 3.84Å; R136-A140 PolarHBondContact O-N 2.88Å; R136-A140 VanDerWaalsContact O-N 3.08Å; L137-A140 PolarHBondContact O-N 3.43Å; A140-N142 PolarHBondContact O-N 3.36Å; A140-F143 PolarHBondContact O-N 3.48Å; A140-S144 WeakPolarHBondContact O-CB 3.26Å; A140-S144 PolarHBondContact O-N 2.9Å; A140-S144 PolarHBondContact O-OG 2.99Å; A140-A164 HydrophobicContact CB-CB 3.39Å
141L98.8Very high98.1Very high20 Ų2022.3 Ų22.311%0.10511%0.11CC..Hα-helixtrans-55.6-54.3175.1178.364.9000110.9L137 L139 F143 S144 V145 I186 L189 L190 N193L137-L141 PolarHBondContact O-N 2.87Å; L139-L141 PolarHBondContact O-N 3.21Å; L141-F143 PolarHBondContact O-N 3.44Å; L141-S144 PolarHBondContact O-N 2.69Å; L141-S144 PolarHBondContact O-OG 2.94Å; L141-V145 WeakPolarHBondContact O-CG2 3.18Å; L141-V145 PolarHBondContact O-N 2.76Å; L141-V145 VanDerWaalsContact O-N 3.17Å; L141-I186 HydrophobicContact CB-CG2 4.28Å; L141-I186 HydrophobicContact CD2-CG2 4.19Å; L141-L189 HydrophobicContact CD1-CB 4.08Å; L141-L189 HydrophobicContact CD2-CB 3.94Å; L141-L189 HydrophobicContact CD2-CD1 3.91Å; L141-L190 HydrophobicContact CB-CD2 3.94Å; L141-L190 HydrophobicContact CB-CG 4.28Å; L141-L190 HydrophobicContact CD1-CD2 3.97Å; L141-L190 HydrophobicContact CD1-CG 4.2Å; L141-N193 VanDerWaalsContact CD1-ND2 3.31Å; L141-N193 WeakPolarHBondContact CD1-ND2 3.42Å
142N98.7Very high98Very high30 Ų3028.5 Ų28.516%0.1614%0.143CC..Hα-helixtrans-70.9-34.1-175.4-74.319.3000113K89 D93 Y118 G138 L139 A140 V145 F146K89-N142 PolarHBondContact NZ-ND2 3.43Å; D93-N142 WeakPolarHBondContact OD1-CB 3.48Å; D93-N142 PolarHBondContact OD1-ND2 2.92Å; D93-N142 PolarHBondContact OD2-ND2 3.49Å; Y118-N142 HydrophobicContact CE1-CB 4.25Å; G138-N142 PolarHBondContact O-N 3.31Å; G138-N142 VanDerWaalsContact O-N 3.08Å; L139-N142 PolarHBondContact O-N 3.43Å; A140-N142 PolarHBondContact O-N 3.36Å; N142-V145 PolarHBondContact O-N 3.15Å; N142-F146 PolarHBondContact O-N 3.31Å
143F98.8Very high98.1Very high4 Ų429.2 Ų29.22%0.01815%0.149CC..Hα-helixtrans-73.3-33.6177.4-165.4-159.7000112.2Q115 Y118 N119 F122 L139 A140 L141 V145 F146 Y147 L160Q115-F143 HydrophobicContact CG-CE2 4.39Å; Q115-F143 HydrophobicContact CG-CZ 4.28Å; Y118-F143 VanDerWaalsContact CB-CD2 3.43Å; Y118-F143 VanDerWaalsContact CB-CE2 3.43Å; Y118-F143 HydrophobicContact CD1-CB 3.93Å; Y118-F143 HydrophobicContact CD1-CD2 4.19Å; Y118-F143 HydrophobicContact CD1-CG 4.15Å; Y118-F143 HydrophobicContact CD2-CB 4.49Å; Y118-F143 AromaticContact CD2-CD2 3.32Å; Y118-F143 HydrophobicContact CD2-CD2 3.32Å; Y118-F143 AromaticContact CD2-CE2 3.66Å; Y118-F143 HydrophobicContact CD2-CE2 3.66Å; Y118-F143 HydrophobicContact CD2-CG 4.1Å; Y118-F143 HydrophobicContact CE1-CB 4.34Å; Y118-F143 HydrophobicContact CE2-CD2 4.08Å; Y118-F143 HydrophobicContact CG-CB 4.02Å; Y118-F143 HydrophobicContact CG-CD1 4.39Å; Y118-F143 AromaticContact CG-CD2 3.4Å; Y118-F143 HydrophobicContact CG-CD2 3.4Å; Y118-F143 AromaticContact CG-CE2 3.82Å; Y118-F143 HydrophobicContact CG-CE2 3.82Å; Y118-F143 AromaticContact CG-CG 3.71Å; Y118-F143 HydrophobicContact CG-CG 3.71Å; Y118-F143 HydrophobicContact CG-CZ 4.43Å; N119-F143 WeakPolarHBondContact OD1-CE1 3.46Å; N119-F143 WeakPolarHBondContact OD1-CZ 3.37Å; F122-F143 AromaticContact CD2-CD1 3.49Å; F122-F143 HydrophobicContact CD2-CD1 3.49Å; F122-F143 VanDerWaalsContact CD2-CD1 3.49Å; F122-F143 HydrophobicContact CD2-CE1 4Å; F122-F143 HydrophobicContact CD2-CG 4.45Å; F122-F143 HydrophobicContact CE2-CB 3.88Å; F122-F143 AromaticContact CE2-CD1 3.38Å; F122-F143 HydrophobicContact CE2-CD1 3.38Å; F122-F143 HydrophobicContact CE2-CE1 4.3Å; F122-F143 HydrophobicContact CE2-CG 4.11Å; F122-F143 HydrophobicContact CZ-CD1 4.4Å; L139-F143 WeakPolarHBondContact O-CB 3.35Å; L139-F143 PolarHBondContact O-N 2.91Å; A140-F143 PolarHBondContact O-N 3.48Å; L141-F143 PolarHBondContact O-N 3.44Å; F143-V145 VanDerWaalsContact C-N 3.34Å; F143-F146 HydrophobicContact CD2-CB 4.09Å; F143-F146 AromaticContact CD2-CD1 3.6Å; F143-F146 HydrophobicContact CD2-CD1 3.6Å; F143-F146 HydrophobicContact CD2-CE1 4.42Å; F143-F146 HydrophobicContact CD2-CG 4.19Å; F143-F146 AromaticContact CE2-CD1 3.46Å; F143-F146 HydrophobicContact CE2-CD1 3.46Å; F143-F146 VanDerWaalsContact CE2-CD1 3.46Å; F143-F146 AromaticContact CE2-CE1 3.84Å; F143-F146 HydrophobicContact CE2-CE1 3.84Å; F143-F146 HydrophobicContact CE2-CG 4.41Å; F143-F146 WeakPolarHBondContact O-CB 3.49Å; F143-F146 PolarHBondContact O-N 3.03Å; F143-Y147 AromaticContact CD1-CE2 3.8Å; F143-Y147 HydrophobicContact CD1-CE2 3.8Å; F143-Y147 HydrophobicContact CD2-CD2 4.16Å; F143-Y147 AromaticContact CD2-CE2 3.85Å; F143-Y147 HydrophobicContact CD2-CE2 3.85Å; F143-Y147 AromaticContact CE1-CE2 3.69Å; F143-Y147 HydrophobicContact CE1-CE2 3.69Å; F143-Y147 AromaticContact CE1-CZ 3.93Å; F143-Y147 HydrophobicContact CE2-CD2 4.33Å; F143-Y147 HydrophobicContact CE2-CE1 4.42Å; F143-Y147 AromaticContact CE2-CE2 3.69Å; F143-Y147 HydrophobicContact CE2-CE2 3.69Å; F143-Y147 AromaticContact CE2-CZ 3.75Å; F143-Y147 HydrophobicContact CG-CD2 4.33Å; F143-Y147 AromaticContact CG-CE2 3.93Å; F143-Y147 HydrophobicContact CG-CE2 3.93Å; F143-Y147 HydrophobicContact CZ-CE1 4.49Å; F143-Y147 AromaticContact CZ-CE2 3.65Å; F143-Y147 HydrophobicContact CZ-CE2 3.65Å; F143-Y147 AromaticContact CZ-CZ 3.53Å; F143-Y147 WeakPolarHBondContact CZ-OH 3.41Å; F143-Y147 VanDerWaalsContact O-CD2 3.24Å; F143-Y147 WeakPolarHBondContact O-CD2 3.26Å; F143-Y147 PolarHBondContact O-N 2.86Å; F143-L160 HydrophobicContact CB-CD2 3.82Å; F143-L160 HydrophobicContact CD1-CD2 3.68Å; F143-L160 HydrophobicContact CG-CD2 3.93Å
144S98.7Very high98.1Very high0 Ų029.1 Ų29.10%015%0.152CC..Hα-helixtrans-62.9-41.9171.768.80000111.6A140 L141 F146 Y147 Y148 A157 W197A140-S144 WeakPolarHBondContact O-CB 3.26Å; A140-S144 PolarHBondContact O-N 2.9Å; A140-S144 PolarHBondContact O-OG 2.99Å; L141-S144 PolarHBondContact O-N 2.69Å; L141-S144 PolarHBondContact O-OG 2.94Å; S144-F146 VanDerWaalsContact C-N 3.32Å; S144-F146 PolarHBondContact O-N 3.08Å; S144-Y147 PolarHBondContact O-N 3.45Å; S144-Y148 PolarHBondContact O-N 3.35Å; S144-A157 WeakPolarHBondContact CB-O 3.28Å; S144-A157 VanDerWaalsContact O-CB 3.24Å; S144-A157 WeakPolarHBondContact O-CB 3.34Å; S144-W197 WeakPolarHBondContact OG-CH2 3.28Å
145V98.5Very high98.1Very high19 Ų1934.5 Ų34.512%0.11518%0.179CC..Hα-helixtrans-61.8-38.8173.3175.20000111.4L141 N142 F143 Y148 E149 W197L141-V145 WeakPolarHBondContact O-CG2 3.18Å; L141-V145 PolarHBondContact O-N 2.76Å; L141-V145 VanDerWaalsContact O-N 3.17Å; N142-V145 PolarHBondContact O-N 3.15Å; F143-V145 VanDerWaalsContact C-N 3.34Å; V145-Y148 PolarHBondContact O-N 3.21Å; V145-E149 VanDerWaalsContact CG1-CD 3.4Å; V145-E149 HydrophobicContact CG1-CG 3.93Å; V145-E149 WeakPolarHBondContact CG1-OE2 3.27Å; V145-E149 WeakPolarHBondContact O-CB 3.34Å; V145-E149 PolarHBondContact O-N 3.34Å; V145-W197 HydrophobicContact CG2-CH2 4.04Å; V145-W197 HydrophobicContact CG2-CZ2 4.05Å
146F98.7Very high98.1Very high0 Ų040.6 Ų40.60%020%0.201CC..Hα-helixtrans-60.1-47172.6170.6-101.1000112.3R96 I111 S114 Q115 Y118 N142 F143 S144 Y148 I150 L151R96-F146 HydrophobicContact CB-CD2 4.22Å; R96-F146 HydrophobicContact CG-CD2 4.22Å; I111-F146 HydrophobicContact CG2-CZ 4.08Å; S114-F146 VanDerWaalsContact OG-CD2 3.28Å; S114-F146 WeakPolarHBondContact OG-CD2 3.4Å; S114-F146 WeakPolarHBondContact OG-CE2 3.31Å; Q115-F146 HydrophobicContact CB-CE1 3.88Å; Q115-F146 HydrophobicContact CB-CZ 3.9Å; Q115-F146 HydrophobicContact CG-CE1 4.17Å; Y118-F146 HydrophobicContact CD2-CB 4.39Å; Y118-F146 HydrophobicContact CD2-CD1 4.36Å; Y118-F146 HydrophobicContact CD2-CG 4.25Å; Y118-F146 HydrophobicContact CE2-CB 3.85Å; Y118-F146 HydrophobicContact CE2-CD2 4.24Å; Y118-F146 AromaticContact CE2-CG 3.96Å; Y118-F146 HydrophobicContact CE2-CG 3.96Å; N142-F146 PolarHBondContact O-N 3.31Å; F143-F146 HydrophobicContact CD2-CB 4.09Å; F143-F146 AromaticContact CD2-CD1 3.6Å; F143-F146 HydrophobicContact CD2-CD1 3.6Å; F143-F146 HydrophobicContact CD2-CE1 4.42Å; F143-F146 HydrophobicContact CD2-CG 4.19Å; F143-F146 AromaticContact CE2-CD1 3.46Å; F143-F146 HydrophobicContact CE2-CD1 3.46Å; F143-F146 VanDerWaalsContact CE2-CD1 3.46Å; F143-F146 AromaticContact CE2-CE1 3.84Å; F143-F146 HydrophobicContact CE2-CE1 3.84Å; F143-F146 HydrophobicContact CE2-CG 4.41Å; F143-F146 WeakPolarHBondContact O-CB 3.49Å; F143-F146 PolarHBondContact O-N 3.03Å; S144-F146 VanDerWaalsContact C-N 3.32Å; S144-F146 PolarHBondContact O-N 3.08Å; F146-Y148 VanDerWaalsContact C-N 3.28Å; F146-Y148 PolarHBondContact O-N 3.22Å; F146-I150 HydrophobicContact CD2-CB 3.76Å; F146-I150 HydrophobicContact CD2-CG1 3.79Å; F146-I150 HydrophobicContact CD2-CG2 4.12Å; F146-I150 HydrophobicContact CE2-CB 3.87Å; F146-I150 HydrophobicContact CE2-CG1 4.27Å; F146-I150 HydrophobicContact CE2-CG2 3.72Å; F146-I150 WeakPolarHBondContact O-CB 3.38Å; F146-I150 PolarHBondContact O-N 3.29Å; F146-L151 HydrophobicContact CD1-CD1 4.05Å; F146-L151 HydrophobicContact CD1-CG 4.29Å; F146-L151 HydrophobicContact CE1-CD1 3.34Å; F146-L151 HydrophobicContact CE1-CD2 4.42Å; F146-L151 HydrophobicContact CE1-CG 3.65Å; F146-L151 HydrophobicContact CZ-CD1 3.92Å; F146-L151 HydrophobicContact CZ-CD2 4.17Å; F146-L151 HydrophobicContact CZ-CG 3.8Å; F146-L151 PolarHBondContact O-N 3.34Å
147Y98.6Very high98.1Very high28 Ų2838.8 Ų38.811%0.1119%0.194CC..Hα-helixtrans-58.7-42.8176.7-79.6-60.4000111.6F143 S144 L151 N152 A153 R156 L160F143-Y147 AromaticContact CD1-CE2 3.8Å; F143-Y147 HydrophobicContact CD1-CE2 3.8Å; F143-Y147 HydrophobicContact CD2-CD2 4.16Å; F143-Y147 AromaticContact CD2-CE2 3.85Å; F143-Y147 HydrophobicContact CD2-CE2 3.85Å; F143-Y147 AromaticContact CE1-CE2 3.69Å; F143-Y147 HydrophobicContact CE1-CE2 3.69Å; F143-Y147 AromaticContact CE1-CZ 3.93Å; F143-Y147 HydrophobicContact CE2-CD2 4.33Å; F143-Y147 HydrophobicContact CE2-CE1 4.42Å; F143-Y147 AromaticContact CE2-CE2 3.69Å; F143-Y147 HydrophobicContact CE2-CE2 3.69Å; F143-Y147 AromaticContact CE2-CZ 3.75Å; F143-Y147 HydrophobicContact CG-CD2 4.33Å; F143-Y147 AromaticContact CG-CE2 3.93Å; F143-Y147 HydrophobicContact CG-CE2 3.93Å; F143-Y147 HydrophobicContact CZ-CE1 4.49Å; F143-Y147 AromaticContact CZ-CE2 3.65Å; F143-Y147 HydrophobicContact CZ-CE2 3.65Å; F143-Y147 AromaticContact CZ-CZ 3.53Å; F143-Y147 WeakPolarHBondContact CZ-OH 3.41Å; F143-Y147 VanDerWaalsContact O-CD2 3.24Å; F143-Y147 WeakPolarHBondContact O-CD2 3.26Å; F143-Y147 PolarHBondContact O-N 2.86Å; S144-Y147 PolarHBondContact O-N 3.45Å; Y147-L151 HydrophobicContact CD1-CD1 3.56Å; Y147-L151 HydrophobicContact CE1-CD1 3.71Å; Y147-L151 CarbonylContact O-C 3.56Å; Y147-N152 PolarHBondContact O-N 3.22Å; Y147-A153 HydrophobicContact CD1-CB 4.5Å; Y147-A153 PolarHBondContact O-N 3.46Å; Y147-R156 HydrophobicContact CD1-CB 3.91Å; Y147-R156 HydrophobicContact CD2-CB 4.45Å; Y147-R156 HydrophobicContact CE1-CB 4.37Å; Y147-R156 HydrophobicContact CG-CB 3.99Å; Y147-L160 HydrophobicContact CD2-CD2 4.06Å; Y147-L160 HydrophobicContact CE2-CD2 3.95Å
148Y98.2Very high98.1Very high57 Ų5739.7 Ų39.722%0.22420%0.2CC..Hα-helixtrans-68.2-62.3179.6-167.1-98.8000112S144 V145 F146 N152 P154 A157 W197 D200S144-Y148 PolarHBondContact O-N 3.35Å; V145-Y148 PolarHBondContact O-N 3.21Å; F146-Y148 VanDerWaalsContact C-N 3.28Å; F146-Y148 PolarHBondContact O-N 3.22Å; Y148-N152 WeakPolarHBondContact O-CA 3.34Å; Y148-N152 PolarHBondContact O-N 2.89Å; Y148-P154 HydrophobicContact CD2-CB 4.04Å; Y148-P154 HydrophobicContact CE2-CB 3.97Å; Y148-A157 HydrophobicContact CD2-CB 4.36Å; Y148-W197 AromaticContact CD1-CD1 3.85Å; Y148-W197 AromaticContact CD1-CE2 3.95Å; Y148-W197 HydrophobicContact CD1-CZ2 4.45Å; Y148-W197 AromaticContact CD1-NE1 3.4Å; Y148-W197 HydrophobicContact CD2-CB 4.15Å; Y148-W197 AromaticContact CD2-CD1 3.55Å; Y148-W197 AromaticContact CD2-CD2 3.76Å; Y148-W197 HydrophobicContact CD2-CD2 3.76Å; Y148-W197 AromaticContact CD2-CE2 3.85Å; Y148-W197 HydrophobicContact CD2-CE3 4.5Å; Y148-W197 AromaticContact CD2-CG 3.56Å; Y148-W197 HydrophobicContact CD2-CG 3.56Å; Y148-W197 AromaticContact CD2-NE1 3.72Å; Y148-W197 AromaticContact CE1-CD1 3.54Å; Y148-W197 HydrophobicContact CE1-CG 4.48Å; Y148-W197 AromaticContact CE1-NE1 3.48Å; Y148-W197 HydrophobicContact CE2-CB 3.78Å; Y148-W197 AromaticContact CE2-CD1 3.25Å; Y148-W197 HydrophobicContact CE2-CD2 4.16Å; Y148-W197 AromaticContact CE2-CG 3.46Å; Y148-W197 HydrophobicContact CE2-CG 3.46Å; Y148-W197 VanDerWaalsContact CE2-CG 3.46Å; Y148-W197 AromaticContact CE2-NE1 3.82Å; Y148-W197 AromaticContact CG-CD1 3.85Å; Y148-W197 HydrophobicContact CG-CD2 4.04Å; Y148-W197 AromaticContact CG-CE2 3.64Å; Y148-W197 HydrophobicContact CG-CG 4.16Å; Y148-W197 HydrophobicContact CG-CZ2 4.1Å; Y148-W197 AromaticContact CG-NE1 3.52Å; Y148-W197 AromaticContact CZ-CD1 3.24Å; Y148-W197 AromaticContact CZ-CG 3.94Å; Y148-W197 AromaticContact CZ-NE1 3.71Å; Y148-D200 PolarHBondContact OH-OD2 3.17Å
149E96.5Very high98Very high102 Ų10245.4 Ų45.448%0.47722%0.224SC..Hα-helixtrans-78.7-31.5-167.2-63.2-177.2163.400113.6R96 V145R96-E149 IonicContact NH1-OE2 3.32Å; V145-E149 VanDerWaalsContact CG1-CD 3.4Å; V145-E149 HydrophobicContact CG1-CG 3.93Å; V145-E149 WeakPolarHBondContact CG1-OE2 3.27Å; V145-E149 WeakPolarHBondContact O-CB 3.34Å; V145-E149 PolarHBondContact O-N 3.34Å
150I97.9Very high98Very high11 Ų1146.6 Ų46.66%0.05623%0.23CC..THydrogen-bonded Turntrans-105.1-44.5-170.9-54-54.3000112.5R96 A99 E100 R107 I111 F146R96-I150 HydrophobicContact CG-CD1 4.22Å; R96-I150 HydrophobicContact CG-CG1 3.8Å; A99-I150 HydrophobicContact CB-CD1 4.39Å; A99-I150 HydrophobicContact CB-CG2 3.83Å; E100-I150 HydrophobicContact CG-CD1 3.84Å; R107-I150 PolarHBondContact NH2-O 3Å; R107-I150 VanDerWaalsContact NH2-O 3.09Å; I111-I150 HydrophobicContact CD1-CG2 3.78Å; I111-I150 HydrophobicContact CG1-CG2 3.61Å; F146-I150 HydrophobicContact CD2-CB 3.76Å; F146-I150 HydrophobicContact CD2-CG1 3.79Å; F146-I150 HydrophobicContact CD2-CG2 4.12Å; F146-I150 HydrophobicContact CE2-CB 3.87Å; F146-I150 HydrophobicContact CE2-CG1 4.27Å; F146-I150 HydrophobicContact CE2-CG2 3.72Å; F146-I150 WeakPolarHBondContact O-CB 3.38Å; F146-I150 PolarHBondContact O-N 3.29Å
151L97.5Very high98Very high51 Ų5146.5 Ų46.527%0.26723%0.23SC..THydrogen-bonded Turntrans-89.6-7.4179.8-68.3-175.7000113.3I111 F146 Y147 A153I111-L151 HydrophobicContact CG2-CD2 3.53Å; F146-L151 HydrophobicContact CD1-CD1 4.05Å; F146-L151 HydrophobicContact CD1-CG 4.29Å; F146-L151 HydrophobicContact CE1-CD1 3.34Å; F146-L151 HydrophobicContact CE1-CD2 4.42Å; F146-L151 HydrophobicContact CE1-CG 3.65Å; F146-L151 HydrophobicContact CZ-CD1 3.92Å; F146-L151 HydrophobicContact CZ-CD2 4.17Å; F146-L151 HydrophobicContact CZ-CG 3.8Å; F146-L151 PolarHBondContact O-N 3.34Å; Y147-L151 HydrophobicContact CD1-CD1 3.56Å; Y147-L151 HydrophobicContact CE1-CD1 3.71Å; Y147-L151 CarbonylContact O-C 3.56Å; L151-A153 HydrophobicContact CB-CB 4.2Å; L151-A153 PolarHBondContact O-N 3.32Å
152N96.7Very high98Very high141 Ų14151.4 Ų51.475%0.75425%0.25SS*.  trans50.645.1-176.4-166.247.1000111.8Y147 Y148 P154Y147-N152 PolarHBondContact O-N 3.22Å; Y148-N152 WeakPolarHBondContact O-CA 3.34Å; Y148-N152 PolarHBondContact O-N 2.89Å; N152-P154 VanDerWaalsContact C-CD 3.44Å; N152-P154 WeakPolarHBondContact O-CD 3.37Å
153A97.6Very high98Very high21 Ų2153.8 Ų53.817%0.17426%0.26CS..  trans-121.469.7-174.300000110.4Y147 L151 D155 R156 A157Y147-A153 HydrophobicContact CD1-CB 4.5Å; Y147-A153 PolarHBondContact O-N 3.46Å; L151-A153 HydrophobicContact CB-CB 4.2Å; L151-A153 PolarHBondContact O-N 3.32Å; A153-D155 VanDerWaalsContact C-N 3.33Å; A153-D155 PolarHBondContact O-N 3.44Å; A153-R156 HydrophobicContact CB-CB 4.17Å; A153-R156 HydrophobicContact CB-CG 4.34Å; A153-R156 PolarHBondContact O-N 3.09Å; A153-R156 VanDerWaalsContact O-N 3.14Å; A153-A157 PolarHBondContact O-N 3.49Å
154P97Very high98Very high35 Ų3554.3 Ų54.323%0.22727%0.266CS..Hα-helixtrans-58.6-40.4-17523.4-33.9000112.8Y148 N152 R156 A157 C158 T201Y148-P154 HydrophobicContact CD2-CB 4.04Å; Y148-P154 HydrophobicContact CE2-CB 3.97Å; N152-P154 VanDerWaalsContact C-CD 3.44Å; N152-P154 WeakPolarHBondContact O-CD 3.37Å; P154-R156 VanDerWaalsContact C-N 3.29Å; P154-R156 PolarHBondContact O-N 3.48Å; P154-A157 WeakPolarHBondContact O-CB 3.16Å; P154-A157 PolarHBondContact O-N 3.47Å; P154-A157 VanDerWaalsContact O-N 3.12Å; P154-C158 WeakPolarHBondContact O-CB 3.4Å; P154-C158 PolarHBondContact O-N 2.89Å; P154-C158 PolarHBondContact O-SG 3.39Å; P154-C158 VanDerWaalsContact O-SG 3.41Å; P154-T201 HydrophobicContact CB-CG2 4.28Å; P154-T201 HydrophobicContact CG-CG2 4.47Å
155D96.6Very high97.9Very high132 Ų13256.3 Ų56.371%0.70627%0.274SS*.Hα-helixtrans-58.5-41.4177.6-63.2-27.7000112.5A153 H159A153-D155 VanDerWaalsContact C-N 3.33Å; A153-D155 PolarHBondContact O-N 3.44Å; D155-H159 WeakPolarHBondContact O-CB 3.47Å; D155-H159 PolarHBondContact O-N 3.27Å
156R97.9Very high97.9Very high152 Ų15259.1 Ų59.157%0.57429%0.289SS*.Hα-helixtrans-70.5-39.3177.5-67.2-171.9-177.2179.81.5111.5Y147 A153 P154 L160Y147-R156 HydrophobicContact CD1-CB 3.91Å; Y147-R156 HydrophobicContact CD2-CB 4.45Å; Y147-R156 HydrophobicContact CE1-CB 4.37Å; Y147-R156 HydrophobicContact CG-CB 3.99Å; A153-R156 HydrophobicContact CB-CB 4.17Å; A153-R156 HydrophobicContact CB-CG 4.34Å; A153-R156 PolarHBondContact O-N 3.09Å; A153-R156 VanDerWaalsContact O-N 3.14Å; P154-R156 VanDerWaalsContact C-N 3.29Å; P154-R156 PolarHBondContact O-N 3.48Å; R156-L160 WeakPolarHBondContact O-CB 3.42Å; R156-L160 PolarHBondContact O-N 3.12Å
157A98.2Very high97.9Very high0 Ų061.8 Ų61.80%030%0.303CS..Hα-helixtrans-60.6-50.8175.900000110.9S144 Y148 A153 P154 L160 A161 W197S144-A157 WeakPolarHBondContact CB-O 3.28Å; S144-A157 VanDerWaalsContact O-CB 3.24Å; S144-A157 WeakPolarHBondContact O-CB 3.34Å; Y148-A157 HydrophobicContact CD2-CB 4.36Å; A153-A157 PolarHBondContact O-N 3.49Å; P154-A157 WeakPolarHBondContact O-CB 3.16Å; P154-A157 PolarHBondContact O-N 3.47Å; P154-A157 VanDerWaalsContact O-N 3.12Å; A157-L160 PolarHBondContact O-N 3.3Å; A157-A161 WeakPolarHBondContact O-CB 3.34Å; A157-A161 PolarHBondContact O-N 3.46Å; A157-W197 HydrophobicContact CB-CE3 4Å; A157-W197 HydrophobicContact CB-CH2 4.45Å; A157-W197 HydrophobicContact CB-CZ3 3.86Å
158C98.2Very high97.8Very high21 Ų2160.4 Ų60.414%0.14230%0.298CS..Hα-helixtrans-63.7-44.7178.3-700000111.9P154 L160 A161 K162 L194P154-C158 WeakPolarHBondContact O-CB 3.4Å; P154-C158 PolarHBondContact O-N 2.89Å; P154-C158 PolarHBondContact O-SG 3.39Å; P154-C158 VanDerWaalsContact O-SG 3.41Å; C158-L160 PolarHBondContact O-N 3.12Å; C158-A161 PolarHBondContact O-N 3.03Å; C158-K162 WeakPolarHBondContact O-CB 3.24Å; C158-K162 PolarHBondContact O-N 3.06Å; C158-L194 HydrophobicContact CB-CD2 4.11Å; C158-L194 WeakPolarHBondContact O-CD2 3.4Å
159H98Very high97.7Very high128 Ų12861.7 Ų61.759%0.59331%0.307SS*.Hα-helixtrans-57.8-48.6176.9179.471.6000111.6D155 Q163D155-H159 WeakPolarHBondContact O-CB 3.47Å; D155-H159 PolarHBondContact O-N 3.27Å; H159-Q163 VanDerWaalsContact O-CB 3.31Å; H159-Q163 WeakPolarHBondContact O-CB 3.33Å; H159-Q163 PolarHBondContact O-N 3.44Å
160L98.4Very high97.8Very high25 Ų2560.8 Ų60.813%0.13132%0.318CS..Hα-helixtrans-65.2-47-179.5-177.263.9000112.4F122 F143 Y147 R156 A157 C158 Q163 A164F122-L160 HydrophobicContact CE1-CD1 3.91Å; F122-L160 HydrophobicContact CE2-CD1 4.41Å; F122-L160 HydrophobicContact CE2-CD2 4.16Å; F122-L160 HydrophobicContact CZ-CD1 3.64Å; F122-L160 HydrophobicContact CZ-CD2 4.05Å; F122-L160 HydrophobicContact CZ-CG 4.24Å; F143-L160 HydrophobicContact CB-CD2 3.82Å; F143-L160 HydrophobicContact CD1-CD2 3.68Å; F143-L160 HydrophobicContact CG-CD2 3.93Å; Y147-L160 HydrophobicContact CD2-CD2 4.06Å; Y147-L160 HydrophobicContact CE2-CD2 3.95Å; R156-L160 WeakPolarHBondContact O-CB 3.42Å; R156-L160 PolarHBondContact O-N 3.12Å; A157-L160 PolarHBondContact O-N 3.3Å; C158-L160 PolarHBondContact O-N 3.12Å; L160-Q163 PolarHBondContact O-N 2.94Å; L160-A164 WeakPolarHBondContact O-CB 3.31Å; L160-A164 PolarHBondContact O-N 3.05Å
161A98.5Very high97.7Very high0 Ų063.5 Ų63.50%033%0.33CS..Hα-helixtrans-64.5-41.8-179.100000111.6A157 C158 F165 L190 L194 W197A157-A161 WeakPolarHBondContact O-CB 3.34Å; A157-A161 PolarHBondContact O-N 3.46Å; C158-A161 PolarHBondContact O-N 3.03Å; A161-F165 WeakPolarHBondContact O-CB 3.4Å; A161-F165 PolarHBondContact O-N 3.4Å; A161-L190 HydrophobicContact CB-CD2 3.86Å; A161-L194 HydrophobicContact CB-CD1 4.36Å; A161-L194 HydrophobicContact CB-CD2 3.87Å; A161-L194 HydrophobicContact CB-CG 3.92Å; A161-W197 HydrophobicContact CB-CZ3 4.3Å
162K98.2Very high97.4Very high122 Ų12263 Ų6353%0.5333%0.328SS..Hα-helixtrans-64.6-48.5177-176177.1-180-176.50111.4C158 A164 F165 D166 L194C158-K162 WeakPolarHBondContact O-CB 3.24Å; C158-K162 PolarHBondContact O-N 3.06Å; K162-A164 VanDerWaalsContact C-N 3.33Å; K162-A164 PolarHBondContact O-N 3.1Å; K162-F165 PolarHBondContact O-N 2.86Å; K162-D166 WeakPolarHBondContact CE-OD2 3.29Å; K162-D166 WeakPolarHBondContact CG-OD2 3.3Å; K162-D166 WeakPolarHBondContact O-CB 3.39Å; K162-D166 VanDerWaalsContact O-CG 3.3Å; K162-D166 PolarHBondContact O-N 3.29Å; K162-L194 HydrophobicContact CB-CD1 4.12Å; K162-L194 HydrophobicContact CB-CD2 4.02Å
163Q98.5Very high97.2Very high80 Ų8064.4 Ų64.437%0.37434%0.335SS..Hα-helixtrans-58.5-45.9178.3-173-172.2-30.600111.4H159 L160 F165 D166 D167H159-Q163 VanDerWaalsContact O-CB 3.31Å; H159-Q163 WeakPolarHBondContact O-CB 3.33Å; H159-Q163 PolarHBondContact O-N 3.44Å; L160-Q163 PolarHBondContact O-N 2.94Å; Q163-F165 VanDerWaalsContact C-N 3.32Å; Q163-F165 PolarHBondContact O-N 3.2Å; Q163-D166 PolarHBondContact O-N 3.45Å; Q163-D167 VanDerWaalsContact O-CB 3.3Å; Q163-D167 WeakPolarHBondContact O-CB 3.42Å; Q163-D167 PolarHBondContact O-N 2.78Å
164A98.4Very high96.7Very high15 Ų1568 Ų6812%0.12436%0.355CS..Hα-helixtrans-63.8-37.4178.600000112.8A140 L160 K162 A168 L190A140-A164 HydrophobicContact CB-CB 3.39Å; L160-A164 WeakPolarHBondContact O-CB 3.31Å; L160-A164 PolarHBondContact O-N 3.05Å; K162-A164 VanDerWaalsContact C-N 3.33Å; K162-A164 PolarHBondContact O-N 3.1Å; A164-A168 VanDerWaalsContact O-CB 3.28Å; A164-A168 WeakPolarHBondContact O-CB 3.2Å; A164-A168 PolarHBondContact O-N 3.12Å; A164-A168 VanDerWaalsContact O-N 3.15Å; A164-L190 HydrophobicContact CB-CD1 4.24Å
165F98.2Very high96.3Very high42 Ų4267.5 Ų67.518%0.18435%0.35CS..Hα-helixtrans-66.4-49.1175.4-175.4-90.1000111.5A161 K162 Q163 A168 I169 M187 L190 R191A161-F165 WeakPolarHBondContact O-CB 3.4Å; A161-F165 PolarHBondContact O-N 3.4Å; K162-F165 PolarHBondContact O-N 2.86Å; Q163-F165 VanDerWaalsContact C-N 3.32Å; Q163-F165 PolarHBondContact O-N 3.2Å; F165-A168 PolarHBondContact O-N 2.89Å; F165-I169 HydrophobicContact CD1-CG1 3.89Å; F165-I169 HydrophobicContact CE1-CD1 4.08Å; F165-I169 HydrophobicContact CE1-CG1 3.53Å; F165-I169 HydrophobicContact CZ-CD1 3.96Å; F165-I169 HydrophobicContact CZ-CG1 3.87Å; F165-I169 WeakPolarHBondContact O-CB 3.22Å; F165-I169 WeakPolarHBondContact O-CG1 3.42Å; F165-I169 PolarHBondContact O-N 2.83Å; F165-M187 HydrophobicContact CD2-CB 4.09Å; F165-M187 WeakPolarHBondContact CD2-O 3.46Å; F165-M187 HydrophobicContact CE2-CB 4.06Å; F165-M187 WeakPolarHBondContact CE2-O 3.34Å; F165-L190 HydrophobicContact CD2-CB 4.49Å; F165-R191 HydrophobicContact CD2-CB 4.34Å; F165-R191 HydrophobicContact CE2-CB 3.98Å
166D98.2Very high95.8Very high79 Ų7965.4 Ų65.442%0.42234%0.339SS..Hα-helixtrans-64.1-44.7-178.8-68.3-15.5000111.3K162 Q163 A168 I169 A170K162-D166 WeakPolarHBondContact CE-OD2 3.29Å; K162-D166 WeakPolarHBondContact CG-OD2 3.3Å; K162-D166 WeakPolarHBondContact O-CB 3.39Å; K162-D166 VanDerWaalsContact O-CG 3.3Å; K162-D166 PolarHBondContact O-N 3.29Å; Q163-D166 PolarHBondContact O-N 3.45Å; D166-A168 VanDerWaalsContact C-N 3.31Å; D166-A168 PolarHBondContact O-N 2.98Å; D166-I169 PolarHBondContact O-N 2.84Å; D166-A170 PolarHBondContact O-N 3.03Å
167D97.8Very high95.4Very high55 Ų5566.8 Ų66.829%0.29435%0.352SS..Hα-helixtrans-59.7-41.4175.6-70.6-10.6000111.1P131 R136 Q163P131-D167 HydrophobicContact CB-CB 3.92Å; P131-D167 HydrophobicContact CG-CB 4.39Å; R136-D167 IonicContact NH2-OD2 3.22Å; Q163-D167 VanDerWaalsContact O-CB 3.3Å; Q163-D167 WeakPolarHBondContact O-CB 3.42Å; Q163-D167 PolarHBondContact O-N 2.78Å
168A97.3Very high94.9Very high0 Ų074 Ų740%039%0.39CS..Hα-helixtrans-73.7-36.1179.200000112.9T132 L137 A164 F165 D166 A170 E171 L172 M187T132-A168 HydrophobicContact CG2-CB 4.43Å; T132-A168 WeakPolarHBondContact CG2-O 3.45Å; L137-A168 HydrophobicContact CD1-CB 4.47Å; L137-A168 HydrophobicContact CD2-CB 3.61Å; A164-A168 VanDerWaalsContact O-CB 3.28Å; A164-A168 WeakPolarHBondContact O-CB 3.2Å; A164-A168 PolarHBondContact O-N 3.12Å; A164-A168 VanDerWaalsContact O-N 3.15Å; F165-A168 PolarHBondContact O-N 2.89Å; D166-A168 VanDerWaalsContact C-N 3.31Å; D166-A168 PolarHBondContact O-N 2.98Å; A168-A170 VanDerWaalsContact C-N 3.33Å; A168-E171 CarbonylContact O-C 3.59Å; A168-E171 PolarHBondContact O-N 3.33Å; A168-L172 PolarHBondContact O-N 2.83Å; A168-M187 HydrophobicContact CB-CE 3.82Å; A168-M187 HydrophobicContact CB-CG 4.24Å; A168-M187 HydrophobicContact CB-SD 3.92Å
169I96.8Very high94.5Very high83 Ų8374.3 Ų74.343%0.42639%0.393SS..Hα-helixtrans-62.2-42.8174-75.6-70.4000110.7F165 D166 E171 L172 M187F165-I169 HydrophobicContact CD1-CG1 3.89Å; F165-I169 HydrophobicContact CE1-CD1 4.08Å; F165-I169 HydrophobicContact CE1-CG1 3.53Å; F165-I169 HydrophobicContact CZ-CD1 3.96Å; F165-I169 HydrophobicContact CZ-CG1 3.87Å; F165-I169 WeakPolarHBondContact O-CB 3.22Å; F165-I169 WeakPolarHBondContact O-CG1 3.42Å; F165-I169 PolarHBondContact O-N 2.83Å; D166-I169 PolarHBondContact O-N 2.84Å; I169-E171 PolarHBondContact O-N 2.86Å; I169-L172 HydrophobicContact CD1-CD2 4.47Å; I169-L172 WeakPolarHBondContact O-CB 3.42Å; I169-L172 PolarHBondContact O-N 3.05Å; I169-M187 HydrophobicContact CB-CE 4.45Å; I169-M187 HydrophobicContact CD1-CE 3.46Å; I169-M187 VanDerWaalsContact CD1-CE 3.46Å; I169-M187 HydrophobicContact CG1-CE 3.61Å
170A96.9Very high94.3Very high84 Ų8474 Ų7469%0.69439%0.387SS*.Hα-helixtrans-61.7-25.1-179.100000113.4D166 A168D166-A170 PolarHBondContact O-N 3.03Å; A168-A170 VanDerWaalsContact C-N 3.33Å
171E95.6Very high94.2Very high68 Ų6880.5 Ų80.532%0.31841%0.414SS..THydrogen-bonded Turntrans-115.711.9-178.5-64.9-170.9-156.700113.3Q130 P131 T132 A168 I169 D173 T174Q130-E171 PolarHBondContact OE1-OE2 3.29Å; P131-E171 VanDerWaalsContact CD-OE2 3.28Å; P131-E171 WeakPolarHBondContact CD-OE2 3.38Å; T132-E171 HydrophobicContact CG2-CB 3.97Å; T132-E171 WeakPolarHBondContact CG2-O 3.41Å; A168-E171 CarbonylContact O-C 3.59Å; A168-E171 PolarHBondContact O-N 3.33Å; I169-E171 PolarHBondContact O-N 2.86Å; E171-D173 PolarHBondContact O-N 3.4Å; E171-D173 VanDerWaalsContact O-N 3.15Å; E171-T174 HydrophobicContact CB-CG2 4.49Å; E171-T174 WeakPolarHBondContact O-CB 3.29Å; E171-T174 PolarHBondContact O-N 3.48Å; E171-T174 PolarHBondContact O-OG1 3.38Å
172L92.8Very high94Very high41 Ų4184.7 Ų84.722%0.21544%0.437CS..G310 helixtrans-59.2-33.1-173-171.263.4000112.9A168 I169 T174 L175 T184 M187A168-L172 PolarHBondContact O-N 2.83Å; I169-L172 HydrophobicContact CD1-CD2 4.47Å; I169-L172 WeakPolarHBondContact O-CB 3.42Å; I169-L172 PolarHBondContact O-N 3.05Å; L172-T174 PolarHBondContact O-N 2.98Å; L172-L175 HydrophobicContact CD1-CD2 3.93Å; L172-L175 WeakPolarHBondContact O-CB 3.33Å; L172-L175 PolarHBondContact O-N 3.34Å; L172-L175 VanDerWaalsContact O-N 3.15Å; L172-T184 HydrophobicContact CD1-CG2 4.35Å; L172-M187 HydrophobicContact CD1-CE 4.3Å; L172-M187 HydrophobicContact CD1-SD 4.04Å
173D91.3Very high94Very high169 Ų16978.9 Ų78.990%0.90441%0.412SS*.G310 helixtrans-65.9-15.2178-66.9-23.1000113.5E171 L175E171-D173 PolarHBondContact O-N 3.4Å; E171-D173 VanDerWaalsContact O-N 3.15Å; D173-L175 VanDerWaalsContact C-N 3.33Å
174T87.2Confident93.9Very high96 Ų9677.1 Ų77.159%0.58941%0.406SS*.G310 helixtrans-86-7.3177.771.80000113.3E171 L172E171-T174 HydrophobicContact CB-CG2 4.49Å; E171-T174 WeakPolarHBondContact O-CB 3.29Å; E171-T174 PolarHBondContact O-N 3.48Å; E171-T174 PolarHBondContact O-OG1 3.38Å; L172-T174 PolarHBondContact O-N 2.98Å
175L88.6Confident93.9Very high26 Ų2681.2 Ų81.214%0.13643%0.426CS..  trans-74.1130.2-170.2-168.454.9000111.5L172 D173 Y180L172-L175 HydrophobicContact CD1-CD2 3.93Å; L172-L175 WeakPolarHBondContact O-CB 3.33Å; L172-L175 PolarHBondContact O-N 3.34Å; L172-L175 VanDerWaalsContact O-N 3.15Å; D173-L175 VanDerWaalsContact C-N 3.33Å; L175-Y180 HydrophobicContact CB-CD2 4.47Å; L175-Y180 HydrophobicContact CD2-CD2 3.92Å; L175-Y180 HydrophobicContact CD2-CG 4.41Å; L175-Y180 HydrophobicContact CG-CD2 4.29Å
176N87.5Confident93.9Very high87 Ų8780.5 Ų80.547%0.46542%0.424SS..  trans-74.1157.5174.163.349.5000111.9D178 S179 Y180N176-D178 VanDerWaalsContact C-N 3.27Å; N176-D178 PolarHBondContact O-N 3.5Å; N176-D178 PolarHBondContact OD1-N 3.14Å; N176-S179 PolarHBondContact O-N 2.84Å; N176-S179 VanDerWaalsContact OD1-CB 3.25Å; N176-S179 WeakPolarHBondContact OD1-CB 3.43Å; N176-S179 PolarHBondContact OD1-N 3.48Å; N176-S179 PolarHBondContact OD1-OG 3.27Å; N176-Y180 PolarHBondContact O-N 3.42Å; N176-Y180 VanDerWaalsContact O-N 3.08Å
177E87.9Confident93.9Very high181 Ų18177.1 Ų77.185%0.84641%0.405SS*.Hα-helixtrans-60-37.2-177.5-167.1172.5-177.600112.4S179 Y180E177-S179 VanDerWaalsContact C-N 3.33Å; E177-S179 PolarHBondContact O-N 3.27Å; E177-Y180 PolarHBondContact O-N 3.08Å
178D88.3Confident93.9Very high151 Ų15177.6 Ų77.681%0.80741%0.406SS*.Hα-helixtrans-63.5-35.5-178.5-65.2-28000113N176N176-D178 VanDerWaalsContact C-N 3.27Å; N176-D178 PolarHBondContact O-N 3.5Å; N176-D178 PolarHBondContact OD1-N 3.14Å
179S90.9Very high93.9Very high28 Ų2881.1 Ų81.120%0.19642%0.424CS..Hα-helixtrans-96.5-13.3-178.4-53.80000113.1N176 E177 K181 D182 S183N176-S179 PolarHBondContact O-N 2.84Å; N176-S179 VanDerWaalsContact OD1-CB 3.25Å; N176-S179 WeakPolarHBondContact OD1-CB 3.43Å; N176-S179 PolarHBondContact OD1-N 3.48Å; N176-S179 PolarHBondContact OD1-OG 3.27Å; E177-S179 VanDerWaalsContact C-N 3.33Å; E177-S179 PolarHBondContact O-N 3.27Å; S179-K181 VanDerWaalsContact C-N 3.34Å; S179-K181 PolarHBondContact O-N 2.67Å; S179-D182 PolarHBondContact O-N 2.9Å; S179-S183 PolarHBondContact O-N 3.46Å; S179-S183 PolarHBondContact O-OG 3Å
180Y92.8Very high94Very high121 Ų12177.2 Ų77.248%0.47540%0.404SS..Hα-helixtrans-53.7-49.1-171-171-90.1000112.7L175 N176 E177 T184L175-Y180 HydrophobicContact CB-CD2 4.47Å; L175-Y180 HydrophobicContact CD2-CD2 3.92Å; L175-Y180 HydrophobicContact CD2-CG 4.41Å; L175-Y180 HydrophobicContact CG-CD2 4.29Å; N176-Y180 PolarHBondContact O-N 3.42Å; N176-Y180 VanDerWaalsContact O-N 3.08Å; E177-Y180 PolarHBondContact O-N 3.08Å; Y180-T184 HydrophobicContact CD1-CG2 4.21Å; Y180-T184 HydrophobicContact CE1-CG2 3.9Å; Y180-T184 HydrophobicContact CE2-CG2 4.3Å; Y180-T184 WeakPolarHBondContact O-CB 3.41Å; Y180-T184 VanDerWaalsContact O-CG2 3.27Å; Y180-T184 WeakPolarHBondContact O-CG2 3.45Å; Y180-T184 PolarHBondContact O-N 3.42Å; Y180-T184 PolarHBondContact O-OG1 2.94Å
181K95.4Very high94.1Very high162 Ų16278.8 Ų78.870%0.70439%0.392SS*.Hα-helixtrans-64.4-44-177.4-173.2-175.9177.1-175.70112.5S179 T184 L185S179-K181 VanDerWaalsContact C-N 3.34Å; S179-K181 PolarHBondContact O-N 2.67Å; K181-T184 PolarHBondContact O-OG1 3.22Å; K181-L185 WeakPolarHBondContact O-CB 3.32Å; K181-L185 PolarHBondContact O-N 3.15Å; K181-L185 VanDerWaalsContact O-N 3.14Å
182D95.6Very high94.2Very high89 Ų8978.8 Ų78.848%0.47639%0.394SS..Hα-helixtrans-72.2-44.2-176.2-74-12.9000111.2P134 S179 L185 I186P134-D182 HydrophobicContact CB-CB 4.1Å; P134-D182 HydrophobicContact CG-CB 4.1Å; S179-D182 PolarHBondContact O-N 2.9Å; D182-L185 PolarHBondContact O-N 3.37Å; D182-I186 WeakPolarHBondContact O-CD1 3.48Å; D182-I186 VanDerWaalsContact O-CG1 3.25Å; D182-I186 WeakPolarHBondContact O-CG1 3.29Å; D182-I186 PolarHBondContact O-N 3.45Å
183S97Very high94.4Very high0 Ų078.5 Ų78.50%039%0.393CS..Hα-helixtrans-64.3-46.2178.3-61.90000112.2T132 P134 S179 L185 I186 M187T132-S183 WeakPolarHBondContact O-CB 3.48Å; T132-S183 PolarHBondContact O-OG 3.18Å; P134-S183 VanDerWaalsContact CD-OG 3.31Å; P134-S183 WeakPolarHBondContact CD-OG 3.23Å; P134-S183 VanDerWaalsContact CG-OG 3.3Å; P134-S183 WeakPolarHBondContact CG-OG 3.44Å; S179-S183 PolarHBondContact O-N 3.46Å; S179-S183 PolarHBondContact O-OG 3Å; S183-L185 VanDerWaalsContact C-N 3.32Å; S183-L185 PolarHBondContact O-N 3.49Å; S183-I186 PolarHBondContact O-N 3.08Å; S183-I186 VanDerWaalsContact O-N 3.13Å; S183-M187 VanDerWaalsContact O-CG 3.26Å; S183-M187 WeakPolarHBondContact O-CG 3.48Å; S183-M187 PolarHBondContact O-N 3.31Å
184T97Very high94.7Very high42 Ų4271.8 Ų71.826%0.25836%0.357SS..Hα-helixtrans-64.6-36.8179.552.70000112.2L172 Y180 K181 M187 Q188L172-T184 HydrophobicContact CD1-CG2 4.35Å; Y180-T184 HydrophobicContact CD1-CG2 4.21Å; Y180-T184 HydrophobicContact CE1-CG2 3.9Å; Y180-T184 HydrophobicContact CE2-CG2 4.3Å; Y180-T184 WeakPolarHBondContact O-CB 3.41Å; Y180-T184 VanDerWaalsContact O-CG2 3.27Å; Y180-T184 WeakPolarHBondContact O-CG2 3.45Å; Y180-T184 PolarHBondContact O-N 3.42Å; Y180-T184 PolarHBondContact O-OG1 2.94Å; K181-T184 PolarHBondContact O-OG1 3.22Å; T184-M187 PolarHBondContact O-N 3.09Å; T184-Q188 WeakPolarHBondContact O-CB 3.32Å; T184-Q188 PolarHBondContact O-N 3Å
185L97.9Very high95.1Very high101 Ų10171.4 Ų71.453%0.52935%0.354SS..Hα-helixtrans-61.6-42.9171.9177.962.3000111.8K181 D182 S183 Q188 L189K181-L185 WeakPolarHBondContact O-CB 3.32Å; K181-L185 PolarHBondContact O-N 3.15Å; K181-L185 VanDerWaalsContact O-N 3.14Å; D182-L185 PolarHBondContact O-N 3.37Å; S183-L185 VanDerWaalsContact C-N 3.32Å; S183-L185 PolarHBondContact O-N 3.49Å; L185-Q188 WeakPolarHBondContact O-CB 3.48Å; L185-Q188 PolarHBondContact O-N 3.44Å; L185-L189 WeakPolarHBondContact O-CG 3.46Å; L185-L189 PolarHBondContact O-N 2.68Å; L185-L189 VanDerWaalsContact O-N 3.12Å
186I98.3Very high95.4Very high28 Ų2874.5 Ų74.514%0.14437%0.371CS..Hα-helixtrans-70-39.7179.1-62.4163.7000111.2P134 L137 L141 D182 S183 Q188 L189 L190P134-I186 HydrophobicContact CB-CD1 4.15Å; P134-I186 VanDerWaalsContact O-CD1 3.3Å; P134-I186 WeakPolarHBondContact O-CD1 3.5Å; L137-I186 HydrophobicContact CB-CB 4.16Å; L137-I186 HydrophobicContact CB-CD1 4.49Å; L137-I186 HydrophobicContact CB-CG2 3.61Å; L141-I186 HydrophobicContact CB-CG2 4.28Å; L141-I186 HydrophobicContact CD2-CG2 4.19Å; D182-I186 WeakPolarHBondContact O-CD1 3.48Å; D182-I186 VanDerWaalsContact O-CG1 3.25Å; D182-I186 WeakPolarHBondContact O-CG1 3.29Å; D182-I186 PolarHBondContact O-N 3.45Å; S183-I186 PolarHBondContact O-N 3.08Å; S183-I186 VanDerWaalsContact O-N 3.13Å; I186-Q188 VanDerWaalsContact C-N 3.28Å; I186-Q188 PolarHBondContact O-N 3.35Å; I186-L189 WeakPolarHBondContact O-CB 3.15Å; I186-L189 PolarHBondContact O-N 2.92Å; I186-L189 VanDerWaalsContact O-N 3.16Å; I186-L190 PolarHBondContact O-N 3.43Å
187M98.2Very high95.8Very high8 Ų870.8 Ų70.84%0.03935%0.35CS..Hα-helixtrans-60.2-39.6173.9-69.6169.272.900111.5L137 F165 A168 I169 L172 S183 T184 L190 R191L137-M187 HydrophobicContact CD1-CG 3.94Å; L137-M187 HydrophobicContact CD1-SD 4.38Å; L137-M187 HydrophobicContact CD2-CG 4.15Å; F165-M187 HydrophobicContact CD2-CB 4.09Å; F165-M187 WeakPolarHBondContact CD2-O 3.46Å; F165-M187 HydrophobicContact CE2-CB 4.06Å; F165-M187 WeakPolarHBondContact CE2-O 3.34Å; A168-M187 HydrophobicContact CB-CE 3.82Å; A168-M187 HydrophobicContact CB-CG 4.24Å; A168-M187 HydrophobicContact CB-SD 3.92Å; I169-M187 HydrophobicContact CB-CE 4.45Å; I169-M187 HydrophobicContact CD1-CE 3.46Å; I169-M187 VanDerWaalsContact CD1-CE 3.46Å; I169-M187 HydrophobicContact CG1-CE 3.61Å; L172-M187 HydrophobicContact CD1-CE 4.3Å; L172-M187 HydrophobicContact CD1-SD 4.04Å; S183-M187 VanDerWaalsContact O-CG 3.26Å; S183-M187 WeakPolarHBondContact O-CG 3.48Å; S183-M187 PolarHBondContact O-N 3.31Å; T184-M187 PolarHBondContact O-N 3.09Å; M187-L190 WeakPolarHBondContact O-CB 3.2Å; M187-L190 PolarHBondContact O-N 3.42Å; M187-R191 PolarHBondContact O-N 3.12Å
188Q98.3Very high95.9Very high64 Ų6465.6 Ų65.630%0.29933%0.331SS..Hα-helixtrans-59.5-46.3173.2177.355.138.400111.5T184 L185 I186 L190 R191 D192T184-Q188 WeakPolarHBondContact O-CB 3.32Å; T184-Q188 PolarHBondContact O-N 3Å; L185-Q188 WeakPolarHBondContact O-CB 3.48Å; L185-Q188 PolarHBondContact O-N 3.44Å; I186-Q188 VanDerWaalsContact C-N 3.28Å; I186-Q188 PolarHBondContact O-N 3.35Å; Q188-L190 PolarHBondContact O-N 3.04Å; Q188-R191 WeakPolarHBondContact O-CB 3.45Å; Q188-R191 PolarHBondContact O-N 3.28Å; Q188-D192 PolarHBondContact NE2-OD1 2.88Å; Q188-D192 PolarHBondContact NE2-OD2 2.65Å; Q188-D192 PolarHBondContact O-N 3.17Å
189L98.6Very high95.8Very high75 Ų7562 Ų6239%0.39332%0.318SS..Hα-helixtrans-63.2-38.5176.7-66.2171.5000112.8L141 L185 I186 D192 N193L141-L189 HydrophobicContact CD1-CB 4.08Å; L141-L189 HydrophobicContact CD2-CB 3.94Å; L141-L189 HydrophobicContact CD2-CD1 3.91Å; L185-L189 WeakPolarHBondContact O-CG 3.46Å; L185-L189 PolarHBondContact O-N 2.68Å; L185-L189 VanDerWaalsContact O-N 3.12Å; I186-L189 WeakPolarHBondContact O-CB 3.15Å; I186-L189 PolarHBondContact O-N 2.92Å; I186-L189 VanDerWaalsContact O-N 3.16Å; L189-D192 PolarHBondContact O-N 2.94Å; L189-N193 PolarHBondContact O-N 3.28Å
190L98.6Very high95Very high0 Ų065.1 Ų65.10%033%0.332CS..Hα-helixtrans-60.3-46173.9-77.5168000111.4L137 L141 A161 A164 F165 I186 M187 Q188 D192 N193 L194L137-L190 HydrophobicContact CD2-CD1 4.11Å; L141-L190 HydrophobicContact CB-CD2 3.94Å; L141-L190 HydrophobicContact CB-CG 4.28Å; L141-L190 HydrophobicContact CD1-CD2 3.97Å; L141-L190 HydrophobicContact CD1-CG 4.2Å; A161-L190 HydrophobicContact CB-CD2 3.86Å; A164-L190 HydrophobicContact CB-CD1 4.24Å; F165-L190 HydrophobicContact CD2-CB 4.49Å; I186-L190 PolarHBondContact O-N 3.43Å; M187-L190 WeakPolarHBondContact O-CB 3.2Å; M187-L190 PolarHBondContact O-N 3.42Å; Q188-L190 PolarHBondContact O-N 3.04Å; L190-D192 VanDerWaalsContact C-N 3.35Å; L190-D192 PolarHBondContact O-N 3.35Å; L190-N193 PolarHBondContact O-N 2.93Å; L190-L194 WeakPolarHBondContact O-CG 3.44Å; L190-L194 PolarHBondContact O-N 2.67Å
191R97.9Very high93.7Very high118 Ų11862.3 Ų62.345%0.44533%0.328SS..Hα-helixtrans-62.5-41.2177-171.9-171.873.9-172.96.6112.5F165 M187 Q188 L194 T195F165-R191 HydrophobicContact CD2-CB 4.34Å; F165-R191 HydrophobicContact CE2-CB 3.98Å; M187-R191 PolarHBondContact O-N 3.12Å; Q188-R191 WeakPolarHBondContact O-CB 3.45Å; Q188-R191 PolarHBondContact O-N 3.28Å; R191-L194 PolarHBondContact O-N 2.76Å; R191-T195 PolarHBondContact O-N 3.35Å; R191-T195 PolarHBondContact O-OG1 3.27Å
192D98Very high91.7Very high68 Ų6856.8 Ų56.836%0.36432%0.317SS..Hα-helixtrans-66.7-41.7-179.5-65.2-13.3000110.9Q188 L189 L190 T195 L196Q188-D192 PolarHBondContact NE2-OD1 2.88Å; Q188-D192 PolarHBondContact NE2-OD2 2.65Å; Q188-D192 PolarHBondContact O-N 3.17Å; L189-D192 PolarHBondContact O-N 2.94Å; L190-D192 VanDerWaalsContact C-N 3.35Å; L190-D192 PolarHBondContact O-N 3.35Å; D192-T195 PolarHBondContact O-N 3.12Å; D192-L196 PolarHBondContact O-N 3.27Å
193N97Very high89.3Confident35 Ų3555.5 Ų55.519%0.18733%0.325CS..Hα-helixtrans-61-45.1172.3-79.30.4000112.3L141 L189 L190 T195 L196 W197L141-N193 VanDerWaalsContact CD1-ND2 3.31Å; L141-N193 WeakPolarHBondContact CD1-ND2 3.42Å; L189-N193 PolarHBondContact O-N 3.28Å; L190-N193 PolarHBondContact O-N 2.93Å; N193-T195 VanDerWaalsContact C-N 3.29Å; N193-T195 PolarHBondContact O-N 3.43Å; N193-L196 PolarHBondContact O-N 2.91Å; N193-W197 HydrophobicContact CB-CD2 4.22Å; N193-W197 HydrophobicContact CB-CE3 4.08Å; N193-W197 HydrophobicContact CB-CH2 3.66Å; N193-W197 HydrophobicContact CB-CZ2 3.79Å; N193-W197 HydrophobicContact CB-CZ3 3.8Å; N193-W197 WeakPolarHBondContact ND2-CH2 3.48Å; N193-W197 WeakPolarHBondContact O-CB 3.43Å; N193-W197 VanDerWaalsContact O-CD2 3.24Å; N193-W197 PolarHBondContact O-N 3.13Å
194L97Very high87Confident28 Ų2862.5 Ų62.515%0.14736%0.362CS..Hα-helixtrans-57.2-44.7176.5-77.1167.3000111.6C158 A161 K162 L190 R191 W197 T198C158-L194 HydrophobicContact CB-CD2 4.11Å; C158-L194 WeakPolarHBondContact O-CD2 3.4Å; A161-L194 HydrophobicContact CB-CD1 4.36Å; A161-L194 HydrophobicContact CB-CD2 3.87Å; A161-L194 HydrophobicContact CB-CG 3.92Å; K162-L194 HydrophobicContact CB-CD1 4.12Å; K162-L194 HydrophobicContact CB-CD2 4.02Å; L190-L194 WeakPolarHBondContact O-CG 3.44Å; L190-L194 PolarHBondContact O-N 2.67Å; R191-L194 PolarHBondContact O-N 2.76Å; L194-W197 PolarHBondContact O-N 2.84Å; L194-T198 WeakPolarHBondContact O-CB 3.44Å; L194-T198 VanDerWaalsContact O-CG2 3.32Å; L194-T198 WeakPolarHBondContact O-CG2 3.45Å; L194-T198 PolarHBondContact O-N 2.95Å; L194-T198 PolarHBondContact O-OG1 3.09Å
195T96.3Very high84.4Confident87 Ų8767.4 Ų67.453%0.53439%0.387SS..Hα-helixtrans-62.5-44.1179.4-54.70000111.4R191 D192 N193 T198 S199R191-T195 PolarHBondContact O-N 3.35Å; R191-T195 PolarHBondContact O-OG1 3.27Å; D192-T195 PolarHBondContact O-N 3.12Å; N193-T195 VanDerWaalsContact C-N 3.29Å; N193-T195 PolarHBondContact O-N 3.43Å; T195-T198 PolarHBondContact O-OG1 2.89Å; T195-S199 PolarHBondContact O-N 3.41Å; T195-S199 PolarHBondContact O-OG 3.05Å
196L94.9Very high81.6Confident92 Ų9270.1 Ų70.148%0.48240%0.402SS..Hα-helixtrans-62.6-49.2178.3-179.266.3000111.6D192 N193 S199 D200D192-L196 PolarHBondContact O-N 3.27Å; N193-L196 PolarHBondContact O-N 2.91Å; L196-S199 PolarHBondContact O-N 3.45Å; L196-S199 PolarHBondContact O-OG 3.24Å; L196-D200 PolarHBondContact O-N 3.02Å
197W95.3Very high78.8Confident8 Ų872.8 Ų72.83%0.0343%0.428CS..Hα-helixtrans-74.4-29.6-173.3-58.3-26.4000113.3S144 V145 Y148 A157 A161 N193 L194 T201S144-W197 WeakPolarHBondContact OG-CH2 3.28Å; V145-W197 HydrophobicContact CG2-CH2 4.04Å; V145-W197 HydrophobicContact CG2-CZ2 4.05Å; Y148-W197 AromaticContact CD1-CD1 3.85Å; Y148-W197 AromaticContact CD1-CE2 3.95Å; Y148-W197 HydrophobicContact CD1-CZ2 4.45Å; Y148-W197 AromaticContact CD1-NE1 3.4Å; Y148-W197 HydrophobicContact CD2-CB 4.15Å; Y148-W197 AromaticContact CD2-CD1 3.55Å; Y148-W197 AromaticContact CD2-CD2 3.76Å; Y148-W197 HydrophobicContact CD2-CD2 3.76Å; Y148-W197 AromaticContact CD2-CE2 3.85Å; Y148-W197 HydrophobicContact CD2-CE3 4.5Å; Y148-W197 AromaticContact CD2-CG 3.56Å; Y148-W197 HydrophobicContact CD2-CG 3.56Å; Y148-W197 AromaticContact CD2-NE1 3.72Å; Y148-W197 AromaticContact CE1-CD1 3.54Å; Y148-W197 HydrophobicContact CE1-CG 4.48Å; Y148-W197 AromaticContact CE1-NE1 3.48Å; Y148-W197 HydrophobicContact CE2-CB 3.78Å; Y148-W197 AromaticContact CE2-CD1 3.25Å; Y148-W197 HydrophobicContact CE2-CD2 4.16Å; Y148-W197 AromaticContact CE2-CG 3.46Å; Y148-W197 HydrophobicContact CE2-CG 3.46Å; Y148-W197 VanDerWaalsContact CE2-CG 3.46Å; Y148-W197 AromaticContact CE2-NE1 3.82Å; Y148-W197 AromaticContact CG-CD1 3.85Å; Y148-W197 HydrophobicContact CG-CD2 4.04Å; Y148-W197 AromaticContact CG-CE2 3.64Å; Y148-W197 HydrophobicContact CG-CG 4.16Å; Y148-W197 HydrophobicContact CG-CZ2 4.1Å; Y148-W197 AromaticContact CG-NE1 3.52Å; Y148-W197 AromaticContact CZ-CD1 3.24Å; Y148-W197 AromaticContact CZ-CG 3.94Å; Y148-W197 AromaticContact CZ-NE1 3.71Å; A157-W197 HydrophobicContact CB-CE3 4Å; A157-W197 HydrophobicContact CB-CH2 4.45Å; A157-W197 HydrophobicContact CB-CZ3 3.86Å; A161-W197 HydrophobicContact CB-CZ3 4.3Å; N193-W197 HydrophobicContact CB-CD2 4.22Å; N193-W197 HydrophobicContact CB-CE3 4.08Å; N193-W197 HydrophobicContact CB-CH2 3.66Å; N193-W197 HydrophobicContact CB-CZ2 3.79Å; N193-W197 HydrophobicContact CB-CZ3 3.8Å; N193-W197 WeakPolarHBondContact ND2-CH2 3.48Å; N193-W197 WeakPolarHBondContact O-CB 3.43Å; N193-W197 VanDerWaalsContact O-CD2 3.24Å; N193-W197 PolarHBondContact O-N 3.13Å; L194-W197 PolarHBondContact O-N 2.84Å; W197-T201 PolarHBondContact O-N 3.01Å
198T90.7Very high75.7Confident73 Ų7379.8 Ų79.845%0.44847%0.466SS..Hα-helixtrans-77.9-27.217457.90000112.7L194 T195 D200 T201 G202L194-T198 WeakPolarHBondContact O-CB 3.44Å; L194-T198 VanDerWaalsContact O-CG2 3.32Å; L194-T198 WeakPolarHBondContact O-CG2 3.45Å; L194-T198 PolarHBondContact O-N 2.95Å; L194-T198 PolarHBondContact O-OG1 3.09Å; T195-T198 PolarHBondContact O-OG1 2.89Å; T198-D200 VanDerWaalsContact C-N 3.32Å; T198-T201 PolarHBondContact O-OG1 3.22Å; T198-G202 PolarHBondContact O-N 3.47Å
199S86.6Confident72.9Confident75 Ų7581.2 Ų81.252%0.52449%0.489SS..Hα-helixtrans-68.9-32.3170.159.60000112.6T195 L196T195-S199 PolarHBondContact O-N 3.41Å; T195-S199 PolarHBondContact O-OG 3.05Å; L196-S199 PolarHBondContact O-N 3.45Å; L196-S199 PolarHBondContact O-OG 3.24Å
200D74.8Confident70.1Confident93 Ų9383.1 Ų83.150%0.49751%0.506SS..Hα-helixtrans-70.5-32.5176.6-75-11.5000111.9Y148 L196 T198Y148-D200 PolarHBondContact OH-OD2 3.17Å; L196-D200 PolarHBondContact O-N 3.02Å; T198-D200 VanDerWaalsContact C-N 3.32Å
201T65.2Low67.4Low62 Ų6290.7 Ų90.738%0.3855%0.546SS..Hα-helixtrans-84.6-28.5177.657.60000113.7P154 W197 T198 G203P154-T201 HydrophobicContact CB-CG2 4.28Å; P154-T201 HydrophobicContact CG-CG2 4.47Å; W197-T201 PolarHBondContact O-N 3.01Å; T198-T201 PolarHBondContact O-OG1 3.22Å; T201-G203 PolarHBondContact O-N 3.04Å; T201-G203 VanDerWaalsContact O-N 3.15Å
202G53.6Low64.8Low47 Ų4793.8 Ų93.849%0.48557%0.565SS.*THydrogen-bonded Turntrans-69.4-4.7-179.700000115.3T198T198-G202 PolarHBondContact O-N 3.47Å
203G45.2Very low61.9Low62 Ų6299.3 Ų99.364%0.63959%0.589SS**THydrogen-bonded Turntrans-76.6-19.5177.800000115.2T201T201-G203 PolarHBondContact O-N 3.04Å; T201-G203 VanDerWaalsContact O-N 3.15Å
204D47.4Very low59.1Low146 Ų146110.4 Ų110.478%0.78164%0.64SS**SBendtrans-107.4-10.7-173.8-78.5-17.8000114.6
205D42.6Very low57.2Low146 Ų146114.6 Ų114.678%0.78166%0.664SS**SBendtrans-99.3-4.2-174.7-81.1-18.3000115.6
206D38.7Very low55.2Low157 Ų157116 Ų11684%0.8467%0.671SS**THydrogen-bonded Turntrans-90.911.3176.9-98.3-14.1000114.4
207A40.5Very low53Low85 Ų85117.3 Ų117.370%0.70268%0.682SS**THydrogen-bonded Turntrans-97.16.9-178.500000115.8
208N33Very low50.5Low155 Ų155123.8 Ų123.883%0.82972%0.72SS**  trans-132.759.7176.2-86.9-33000112.4P210N208-P210 WeakPolarHBondContact O-CD 2.95Å
209A38.6Very low48Very low94 Ų94126.9 Ų126.978%0.77774%0.737SS**  trans-78.9116.1151.200000107.5D211A209-D211 PolarHBondContact O-N 3.48Å
210P39.7Very low45.4Very low115 Ų115130.4 Ų130.475%0.74775%0.751SS**  trans-67.9131.4179.927-31.8000110.1N208 E212N208-P210 WeakPolarHBondContact O-CD 2.95Å; P210-E212 PolarHBondContact O-N 2.88Å
211D42.9Very low43.3Very low158 Ų158133.1 Ų133.185%0.84577%0.769SS**  trans-57101.8175.8-144.60.3000109.1A209 H213A209-D211 PolarHBondContact O-N 3.48Å; D211-H213 PolarHBondContact O-N 3.37Å
212E42.9Very low41.6Very low183 Ų183138.5 Ų138.586%0.85580%0.799SS**  trans-74.9106.3175.3-83-169.3166.700109.5P210 Q214P210-E212 PolarHBondContact O-N 2.88Å; E212-Q214 PolarHBondContact O-N 2.74Å
213H36.6Very low40.6Very low184 Ų184146.2 Ų146.285%0.85283%0.825SS**  trans-33123.8165.5-70.7-73.5000115.4D211D211-H213 PolarHBondContact O-N 3.37Å
214Q39.2Very low40.2Very low269 Ų269153.8 Ų153.8100%1.25784%0.842SS**  trans-138.50132.3-77.9-167.75.700110.6E212E212-Q214 PolarHBondContact O-N 2.74Å

Retrieved 214 of 214 residues in 303.6 ms (Link to these results)

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