G4VKD5_SCHMA Loading...

26S proteasome subunit P28-related

AlphaFold DB , UniProt , Accession G4VKD5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 240 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
1M57.8Low83.9Confident218 Ų21878.1 Ų78.1100%1.07438%0.378SS*.  0-32.70-98.8-160.4-72.500111.7A5M1-A5 PolarHBondContact O-N 3.4Å
2S66.9Low85Confident43 Ų4378.3 Ų78.330%0.30138%0.383SS..Hα-helixtrans-62.7-42.1178.839.60000113.3L4 A5 V6 D25S2-L4 PolarHBondContact O-N 3.08Å; S2-A5 WeakPolarHBondContact O-CB 3.47Å; S2-A5 PolarHBondContact O-N 3.42Å; S2-V6 PolarHBondContact O-N 2.89Å; S2-D25 WeakPolarHBondContact CB-OD2 3.22Å; S2-D25 PolarHBondContact OG-OD2 3.43Å
3D69.9Low85.8Confident74 Ų7473.7 Ų73.740%0.39637%0.368SS..Hα-helixtrans-59.2-45-175.2-46.2-16000113.1A5 V6 C7 F30D3-A5 VanDerWaalsContact C-N 3.33Å; D3-V6 VanDerWaalsContact O-CG1 3.25Å; D3-V6 WeakPolarHBondContact O-CG1 3.21Å; D3-C7 PolarHBondContact O-N 3.22Å; D3-C7 PolarHBondContact O-SG 3Å; D3-F30 HydrophobicContact CB-CD1 4.22Å; D3-F30 WeakPolarHBondContact OD1-CD1 3.38Å; D3-F30 WeakPolarHBondContact OD1-CE1 3.33Å
4L77.8Confident86.5Confident133 Ų13372.4 Ų72.470%0.69637%0.366SS*.Hα-helixtrans-70.5-33.3177.7-168.467.5000111.5S2 R8S2-L4 PolarHBondContact O-N 3.08Å; L4-R8 WeakPolarHBondContact O-CB 3.4Å; L4-R8 PolarHBondContact O-N 2.91Å
5A88.1Confident87Confident33 Ų3370.6 Ų70.627%0.27336%0.36SS..Hα-helixtrans-67.9-46.6178.600000111.3M1 S2 D3 C7 R8 F9M1-A5 PolarHBondContact O-N 3.4Å; S2-A5 WeakPolarHBondContact O-CB 3.47Å; S2-A5 PolarHBondContact O-N 3.42Å; D3-A5 VanDerWaalsContact C-N 3.33Å; A5-C7 PolarHBondContact O-N 2.84Å; A5-R8 PolarHBondContact O-N 2.93Å; A5-F9 HydrophobicContact CB-CD2 4.38Å; A5-F9 HydrophobicContact CB-CE2 4.15Å; A5-F9 WeakPolarHBondContact O-CD2 3.48Å; A5-F9 WeakPolarHBondContact O-CG 3.22Å; A5-F9 PolarHBondContact O-N 3.28Å
6V91.3Very high87.5Confident0 Ų073.3 Ų73.30%038%0.381CS..Hα-helixtrans-65-40.1179.667.90000111.7S2 D3 F9 A10 V18 I21 L22 F30 P38S2-V6 PolarHBondContact O-N 2.89Å; D3-V6 VanDerWaalsContact O-CG1 3.25Å; D3-V6 WeakPolarHBondContact O-CG1 3.21Å; V6-F9 PolarHBondContact O-N 3.44Å; V6-A10 VanDerWaalsContact O-CB 3.24Å; V6-A10 WeakPolarHBondContact O-CB 3.25Å; V6-A10 PolarHBondContact O-N 3.37Å; V6-V18 HydrophobicContact CG2-CG1 3.99Å; V6-I21 HydrophobicContact CB-CB 4.47Å; V6-I21 HydrophobicContact CB-CD1 4.16Å; V6-I21 HydrophobicContact CB-CG2 3.95Å; V6-I21 HydrophobicContact CG2-CB 4.39Å; V6-I21 HydrophobicContact CG2-CG2 4.2Å; V6-L22 HydrophobicContact CG2-CD2 4.41Å; V6-F30 HydrophobicContact CG1-CB 3.8Å; V6-F30 HydrophobicContact CG1-CD1 3.81Å; V6-F30 HydrophobicContact CG1-CD2 4.32Å; V6-F30 HydrophobicContact CG1-CE1 4.4Å; V6-F30 HydrophobicContact CG1-CG 3.72Å; V6-P38 HydrophobicContact CB-CG 4.45Å; V6-P38 HydrophobicContact CG1-CG 3.99Å; V6-P38 HydrophobicContact CG2-CB 4.39Å; V6-P38 HydrophobicContact CG2-CG 3.71Å
7C90.6Very high87.9Confident4 Ų470.2 Ų70.23%0.02737%0.369CS..Hα-helixtrans-63.7-42.5176.2-68.50000111.7D3 A5 A10 Y11 W41D3-C7 PolarHBondContact O-N 3.22Å; D3-C7 PolarHBondContact O-SG 3Å; A5-C7 PolarHBondContact O-N 2.84Å; C7-A10 PolarHBondContact O-N 3.2Å; C7-Y11 PolarHBondContact O-N 3.01Å; C7-W41 VanDerWaalsContact CB-CD1 3.46Å; C7-W41 HydrophobicContact CB-CG 4.13Å; C7-W41 WeakPolarHBondContact O-CB 3.01Å
8R93Very high88.2Confident179 Ų17966.3 Ų66.368%0.67535%0.348SS*.Hα-helixtrans-63.1-49174.5-177.7176.9178.9172.32.5112.1L4 A5 A10 Y11 D12L4-R8 WeakPolarHBondContact O-CB 3.4Å; L4-R8 PolarHBondContact O-N 2.91Å; A5-R8 PolarHBondContact O-N 2.93Å; R8-A10 PolarHBondContact O-N 3.49Å; R8-Y11 WeakPolarHBondContact O-CB 3.39Å; R8-Y11 PolarHBondContact O-N 3.28Å; R8-Y11 VanDerWaalsContact O-N 3.17Å; R8-D12 IonicContact NE-OD2 2.84Å; R8-D12 PolarHBondContact O-N 3.16Å
9F95.1Very high88.4Confident74 Ų7464.1 Ų64.133%0.32534%0.337SS..Hα-helixtrans-62.3-32.5177-71.2-52.2000112.4A5 V6 D12 G13 V14 A17 V18 I21A5-F9 HydrophobicContact CB-CD2 4.38Å; A5-F9 HydrophobicContact CB-CE2 4.15Å; A5-F9 WeakPolarHBondContact O-CD2 3.48Å; A5-F9 WeakPolarHBondContact O-CG 3.22Å; A5-F9 PolarHBondContact O-N 3.28Å; V6-F9 PolarHBondContact O-N 3.44Å; F9-D12 CarbonylContact O-C 3.6Å; F9-D12 PolarHBondContact O-N 3.02Å; F9-G13 PolarHBondContact O-N 3.39Å; F9-V14 HydrophobicContact CB-CB 4.29Å; F9-V14 HydrophobicContact CD1-CB 4.07Å; F9-V14 HydrophobicContact CD1-CG1 4.48Å; F9-V14 HydrophobicContact CD1-CG2 4.08Å; F9-V14 PolarHBondContact O-N 3.11Å; F9-A17 HydrophobicContact CB-CB 4.2Å; F9-A17 HydrophobicContact CD1-CB 3.94Å; F9-A17 HydrophobicContact CD2-CB 3.89Å; F9-A17 HydrophobicContact CE1-CB 4.26Å; F9-A17 HydrophobicContact CE2-CB 4.22Å; F9-A17 HydrophobicContact CG-CB 3.75Å; F9-A17 HydrophobicContact CZ-CB 4.39Å; F9-V18 HydrophobicContact CB-CG2 3.69Å; F9-I21 HydrophobicContact CD2-CD1 3.56Å; F9-I21 HydrophobicContact CE2-CD1 3.87Å
10A96.1Very high88.5Confident0 Ų068.7 Ų68.70%035%0.354CS..Hα-helixtrans-69.5-40.6175.100000112.2V6 C7 R8 D12 G13 V18 P38 W41 A42 H47 L50V6-A10 VanDerWaalsContact O-CB 3.24Å; V6-A10 WeakPolarHBondContact O-CB 3.25Å; V6-A10 PolarHBondContact O-N 3.37Å; C7-A10 PolarHBondContact O-N 3.2Å; R8-A10 PolarHBondContact O-N 3.49Å; A10-D12 VanDerWaalsContact C-N 3.32Å; A10-G13 PolarHBondContact O-N 2.94Å; A10-V18 HydrophobicContact CB-CG2 4.05Å; A10-P38 HydrophobicContact CB-CB 3.9Å; A10-P38 WeakPolarHBondContact CB-O 3.49Å; A10-W41 HydrophobicContact CB-CB 4.03Å; A10-A42 WeakPolarHBondContact O-CA 3.27Å; A10-H47 PolarHBondContact O-CD2 3.2Å; A10-L50 HydrophobicContact CB-CD2 4Å
11Y96.5Very high88.5Confident101 Ų10166.7 Ų66.740%0.39634%0.344SS..Hα-helixtrans-62.3-39.3171.5179.6-97.6000112.5C7 R8 G13 W41 C44 H47C7-Y11 PolarHBondContact O-N 3.01Å; R8-Y11 WeakPolarHBondContact O-CB 3.39Å; R8-Y11 PolarHBondContact O-N 3.28Å; R8-Y11 VanDerWaalsContact O-N 3.17Å; Y11-G13 VanDerWaalsContact C-N 3.29Å; Y11-G13 PolarHBondContact O-N 3.2Å; Y11-W41 AromaticContact CD2-CE3 3.74Å; Y11-W41 HydrophobicContact CD2-CE3 3.74Å; Y11-W41 HydrophobicContact CD2-CZ3 4.13Å; Y11-W41 HydrophobicContact CG-CE3 4.19Å; Y11-C44 HydrophobicContact CD2-CB 4.18Å; Y11-C44 HydrophobicContact CE2-CB 4.36Å; Y11-H47 PolarHBondContact O-CD2 3.43Å; Y11-H47 VanDerWaalsContact O-CD2 3.26Å; Y11-H47 PolarHBondContact O-NE2 3.35Å
12D96.7Very high89.9Confident80 Ų8057.3 Ų57.343%0.42830%0.298SS..Hα-helixtrans-79.9-9.3178.9-66.6-23.7000112.9R8 F9 A10 V14 H47R8-D12 IonicContact NE-OD2 2.84Å; R8-D12 PolarHBondContact O-N 3.16Å; F9-D12 CarbonylContact O-C 3.6Å; F9-D12 PolarHBondContact O-N 3.02Å; A10-D12 VanDerWaalsContact C-N 3.32Å; D12-V14 HydrophobicContact CB-CG2 3.97Å; D12-H47 VanDerWaalsContact C-NE2 3.32Å
13G95.4Very high90.8Very high19 Ų1961.3 Ų61.320%0.19631%0.312CS..THydrogen-bonded Turntrans76.919.217700000114.8F9 A10 Y11 V15 H47F9-G13 PolarHBondContact O-N 3.39Å; A10-G13 PolarHBondContact O-N 2.94Å; Y11-G13 VanDerWaalsContact C-N 3.29Å; Y11-G13 PolarHBondContact O-N 3.2Å; G13-V15 VanDerWaalsContact C-N 3.29Å; G13-V15 PolarHBondContact O-N 3.32Å; G13-H47 WeakPolarHBondContact CA-CD2 3.28Å; G13-H47 WeakPolarHBondContact CA-NE2 3.48Å; G13-H47 PolarHBondContact N-CD2 2.83Å; G13-H47 VanDerWaalsContact N-CD2 3.28Å; G13-H47 PolarHBondContact N-NE2 3.27Å; G13-H47 VanDerWaalsContact N-NE2 3.16Å
14V96.4Very high91.5Very high55 Ų5562.2 Ų62.233%0.33332%0.324SS..  trans-79.178.5-176.9-1690000109.9F9 D12 T16 A17 V18F9-V14 HydrophobicContact CB-CB 4.29Å; F9-V14 HydrophobicContact CD1-CB 4.07Å; F9-V14 HydrophobicContact CD1-CG1 4.48Å; F9-V14 HydrophobicContact CD1-CG2 4.08Å; F9-V14 PolarHBondContact O-N 3.11Å; D12-V14 HydrophobicContact CB-CG2 3.97Å; V14-T16 VanDerWaalsContact C-N 3.29Å; V14-T16 PolarHBondContact O-N 3.5Å; V14-A17 HydrophobicContact CB-CB 4.06Å; V14-A17 HydrophobicContact CG1-CB 3.52Å; V14-A17 PolarHBondContact O-N 2.89Å; V14-A17 VanDerWaalsContact O-N 3.08Å; V14-V18 PolarHBondContact O-N 2.92Å
15V94.3Very high91.1Very high46 Ų4659.7 Ų59.728%0.27931%0.312SS..Hα-helixtrans-50.6-47.3-173.9179.90000112.3G13 A17 V18 V19 L50 V53G13-V15 VanDerWaalsContact C-N 3.29Å; G13-V15 PolarHBondContact O-N 3.32Å; V15-A17 PolarHBondContact O-N 3.26Å; V15-V18 PolarHBondContact O-N 3.48Å; V15-V19 HydrophobicContact CG1-CG2 4.18Å; V15-V19 WeakPolarHBondContact O-CB 3.48Å; V15-V19 VanDerWaalsContact O-CG2 3.28Å; V15-V19 WeakPolarHBondContact O-CG2 3.39Å; V15-V19 PolarHBondContact O-N 3.15Å; V15-L50 HydrophobicContact CG1-CD1 4.49Å; V15-L50 HydrophobicContact CG2-CB 4.08Å; V15-L50 HydrophobicContact CG2-CD1 4.33Å; V15-V53 HydrophobicContact CG1-CG2 4.41Å
16T94.7Very high89.9Confident113 Ų11361.5 Ų61.569%0.69333%0.333SS*.Hα-helixtrans-63.5-39.2-17851.70000112.7V14 K20V14-T16 VanDerWaalsContact C-N 3.29Å; V14-T16 PolarHBondContact O-N 3.5Å; T16-K20 WeakPolarHBondContact O-CB 3.45Å; T16-K20 PolarHBondContact O-N 2.98Å
17A93.7Very high88.4Confident21 Ų2167.6 Ų67.617%0.17436%0.362CS..Hα-helixtrans-70.3-44.3177.900000111.2F9 V14 V15 K20 I21F9-A17 HydrophobicContact CB-CB 4.2Å; F9-A17 HydrophobicContact CD1-CB 3.94Å; F9-A17 HydrophobicContact CD2-CB 3.89Å; F9-A17 HydrophobicContact CE1-CB 4.26Å; F9-A17 HydrophobicContact CE2-CB 4.22Å; F9-A17 HydrophobicContact CG-CB 3.75Å; F9-A17 HydrophobicContact CZ-CB 4.39Å; V14-A17 HydrophobicContact CB-CB 4.06Å; V14-A17 HydrophobicContact CG1-CB 3.52Å; V14-A17 PolarHBondContact O-N 2.89Å; V14-A17 VanDerWaalsContact O-N 3.08Å; V15-A17 PolarHBondContact O-N 3.26Å; A17-K20 PolarHBondContact O-N 3.29Å; A17-I21 WeakPolarHBondContact O-CD1 3.34Å; A17-I21 VanDerWaalsContact O-CG1 3.25Å; A17-I21 WeakPolarHBondContact O-CG1 3.47Å; A17-I21 PolarHBondContact O-N 3.24Å
18V93.2Very high87.1Confident0 Ų073.5 Ų73.50%039%0.387CS..Hα-helixtrans-60-51.6176.4175.90000110.4V6 F9 A10 V14 V15 K20 I21 L22 L50 L54V6-V18 HydrophobicContact CG2-CG1 3.99Å; F9-V18 HydrophobicContact CB-CG2 3.69Å; A10-V18 HydrophobicContact CB-CG2 4.05Å; V14-V18 PolarHBondContact O-N 2.92Å; V15-V18 PolarHBondContact O-N 3.48Å; V18-K20 VanDerWaalsContact C-N 3.35Å; V18-K20 PolarHBondContact O-N 3.01Å; V18-I21 PolarHBondContact O-N 2.9Å; V18-L22 HydrophobicContact CG1-CD1 3.8Å; V18-L22 HydrophobicContact CG1-CG 4.21Å; V18-L22 VanDerWaalsContact O-CG 3.27Å; V18-L22 WeakPolarHBondContact O-CG 3.34Å; V18-L22 PolarHBondContact O-N 3.3Å; V18-L50 HydrophobicContact CB-CD1 4.08Å; V18-L50 HydrophobicContact CG1-CD1 3.98Å; V18-L50 HydrophobicContact CG2-CD1 4.39Å; V18-L50 HydrophobicContact CG2-CD2 4.06Å; V18-L54 HydrophobicContact CG1-CD2 4.09Å
19V91.4Very high86.1Confident24 Ų2468.3 Ų68.315%0.14538%0.378CS..Hα-helixtrans-58.6-46179.5168.50000111.5V15 I21 L22 E23 V53V15-V19 HydrophobicContact CG1-CG2 4.18Å; V15-V19 WeakPolarHBondContact O-CB 3.48Å; V15-V19 VanDerWaalsContact O-CG2 3.28Å; V15-V19 WeakPolarHBondContact O-CG2 3.39Å; V15-V19 PolarHBondContact O-N 3.15Å; V19-I21 VanDerWaalsContact C-N 3.32Å; V19-I21 PolarHBondContact O-N 2.91Å; V19-L22 PolarHBondContact O-N 2.87Å; V19-E23 HydrophobicContact CG1-CG 4.36Å; V19-E23 WeakPolarHBondContact CG1-OE1 3.4Å; V19-E23 WeakPolarHBondContact O-CB 3.42Å; V19-E23 WeakPolarHBondContact O-CG 3.47Å; V19-E23 PolarHBondContact O-N 3.04Å; V19-V53 HydrophobicContact CG2-CG1 3.71Å
20K90.8Very high85.4Confident156 Ų15665.2 Ų65.268%0.67837%0.365SS*.Hα-helixtrans-60.5-41.1178.6-175.8176.8-179.9179.70112.3T16 A17 V18 E23 S24T16-K20 WeakPolarHBondContact O-CB 3.45Å; T16-K20 PolarHBondContact O-N 2.98Å; A17-K20 PolarHBondContact O-N 3.29Å; V18-K20 VanDerWaalsContact C-N 3.35Å; V18-K20 PolarHBondContact O-N 3.01Å; K20-E23 PolarHBondContact O-N 3.17Å; K20-S24 PolarHBondContact O-N 3.43Å; K20-S24 VanDerWaalsContact O-N 3.15Å; K20-S24 PolarHBondContact O-OG 3.31Å
21I89.3Confident85.1Confident28 Ų2868.5 Ų68.514%0.14439%0.385CS..Hα-helixtrans-66.6-46.4177.5-66.9163.8000110.4V6 F9 A17 V18 V19 E23 S24 D25 F30V6-I21 HydrophobicContact CB-CB 4.47Å; V6-I21 HydrophobicContact CB-CD1 4.16Å; V6-I21 HydrophobicContact CB-CG2 3.95Å; V6-I21 HydrophobicContact CG2-CB 4.39Å; V6-I21 HydrophobicContact CG2-CG2 4.2Å; F9-I21 HydrophobicContact CD2-CD1 3.56Å; F9-I21 HydrophobicContact CE2-CD1 3.87Å; A17-I21 WeakPolarHBondContact O-CD1 3.34Å; A17-I21 VanDerWaalsContact O-CG1 3.25Å; A17-I21 WeakPolarHBondContact O-CG1 3.47Å; A17-I21 PolarHBondContact O-N 3.24Å; V18-I21 PolarHBondContact O-N 2.9Å; V19-I21 VanDerWaalsContact C-N 3.32Å; V19-I21 PolarHBondContact O-N 2.91Å; I21-E23 VanDerWaalsContact C-N 3.25Å; I21-E23 PolarHBondContact O-N 3.17Å; I21-S24 WeakPolarHBondContact CA-OG 3.47Å; I21-S24 PolarHBondContact O-N 3.31Å; I21-S24 VanDerWaalsContact O-N 3.11Å; I21-S24 PolarHBondContact O-OG 3.05Å; I21-D25 PolarHBondContact O-N 3.48Å; I21-F30 HydrophobicContact CG2-CE2 4.42Å; I21-F30 HydrophobicContact CG2-CZ 3.97Å
22L87.1Confident84.9Confident21 Ų2165.1 Ų65.111%0.1137%0.374CS..Hα-helixtrans-61.6-33.2178.8-66.9177.8000112.6V6 V18 V19 F30 L54 F59V6-L22 HydrophobicContact CG2-CD2 4.41Å; V18-L22 HydrophobicContact CG1-CD1 3.8Å; V18-L22 HydrophobicContact CG1-CG 4.21Å; V18-L22 VanDerWaalsContact O-CG 3.27Å; V18-L22 WeakPolarHBondContact O-CG 3.34Å; V18-L22 PolarHBondContact O-N 3.3Å; V19-L22 PolarHBondContact O-N 2.87Å; L22-F30 HydrophobicContact CD2-CD2 3.62Å; L22-F30 HydrophobicContact CD2-CE2 3.76Å; L22-L54 HydrophobicContact CD1-CD2 3.63Å; L22-F59 HydrophobicContact CD1-CE2 3.99Å; L22-F59 HydrophobicContact CD1-CZ 4.28Å; L22-F59 HydrophobicContact CD2-CE2 4.27Å; L22-F59 HydrophobicContact CD2-CZ 3.9Å
23E86.2Confident84.7Confident126 Ų12670.3 Ų70.359%0.58940%0.395SS*.Hα-helixtrans-74.2-30.7175.6-74.5170.2-179.400112.9V19 K20 I21 R57V19-E23 HydrophobicContact CG1-CG 4.36Å; V19-E23 WeakPolarHBondContact CG1-OE1 3.4Å; V19-E23 WeakPolarHBondContact O-CB 3.42Å; V19-E23 WeakPolarHBondContact O-CG 3.47Å; V19-E23 PolarHBondContact O-N 3.04Å; K20-E23 PolarHBondContact O-N 3.17Å; I21-E23 VanDerWaalsContact C-N 3.25Å; I21-E23 PolarHBondContact O-N 3.17Å; E23-R57 IonicContact OE1-NH2 3.7Å; E23-R57 PolarHBondContact OE1-NH2 3.41Å
24S83.2Confident84.6Confident93 Ų9371 Ų7165%0.6540%0.399SS*.Hα-helixtrans-80.3-32.1-177.858.60000114.9K20 I21K20-S24 PolarHBondContact O-N 3.43Å; K20-S24 VanDerWaalsContact O-N 3.15Å; K20-S24 PolarHBondContact O-OG 3.31Å; I21-S24 WeakPolarHBondContact CA-OG 3.47Å; I21-S24 PolarHBondContact O-N 3.31Å; I21-S24 VanDerWaalsContact O-N 3.11Å; I21-S24 PolarHBondContact O-OG 3.05Å
25D70.6Confident84.5Confident80 Ų8069.1 Ų69.143%0.42839%0.391SS..Hα-helixtrans-104.7-0.6-168.6-117.6-12.8000113.5S2 I21 E27 F30S2-D25 WeakPolarHBondContact CB-OD2 3.22Å; S2-D25 PolarHBondContact OG-OD2 3.43Å; I21-D25 PolarHBondContact O-N 3.48Å; D25-E27 PolarHBondContact O-N 2.9Å; D25-F30 HydrophobicContact CB-CE1 4.33Å; D25-F30 HydrophobicContact CB-CE2 4.06Å; D25-F30 HydrophobicContact CB-CZ 3.39Å; D25-F30 WeakPolarHBondContact OD2-CZ 3.46Å
26G63.4Low84.5Confident71 Ų7170.2 Ų70.273%0.73239%0.39SS*.  trans67.1-4.7166.900000117.5
27E59Low84.5Confident128 Ų12865.5 Ų65.560%0.59836%0.36SS*.  trans-129.7139.4-175.2-67.1-167.7174.900114.6D25 S29 F30D25-E27 PolarHBondContact O-N 2.9Å; E27-S29 WeakPolarHBondContact CB-OG 3.24Å; E27-S29 PolarHBondContact O-N 3.03Å; E27-S29 PolarHBondContact OE2-OG 3.34Å; E27-F30 WeakPolarHBondContact O-CD2 3.38Å; E27-F30 WeakPolarHBondContact O-CE2 3.38Å
28K63.2Low84.5Confident129 Ų12964.5 Ų64.556%0.56135%0.352SS*.THydrogen-bonded Turntrans-75.710.3172.3-60.8178.6178-171.20113.1R57 G58K28-R57 WeakPolarHBondContact CE-O 3.35Å; K28-R57 PolarHBondContact NZ-O 3.03Å; K28-R57 VanDerWaalsContact NZ-O 3.08Å; K28-G58 PolarHBondContact NZ-O 3.42Å
29S71.8Confident84.7Confident70 Ų7064.5 Ų64.549%0.4935%0.352SS..THydrogen-bonded Turntrans-92.63.5-166.160.80000114.3E27 V31E27-S29 WeakPolarHBondContact CB-OG 3.24Å; E27-S29 PolarHBondContact O-N 3.03Å; E27-S29 PolarHBondContact OE2-OG 3.34Å; S29-V31 PolarHBondContact O-N 3.22Å
30F81.6Confident85Confident8 Ų863.4 Ų63.44%0.03535%0.345CS..  trans-59.2111.3178.8-67.5-69.4000112D3 V6 I21 L22 D25 E27 N37 P38D3-F30 HydrophobicContact CB-CD1 4.22Å; D3-F30 WeakPolarHBondContact OD1-CD1 3.38Å; D3-F30 WeakPolarHBondContact OD1-CE1 3.33Å; V6-F30 HydrophobicContact CG1-CB 3.8Å; V6-F30 HydrophobicContact CG1-CD1 3.81Å; V6-F30 HydrophobicContact CG1-CD2 4.32Å; V6-F30 HydrophobicContact CG1-CE1 4.4Å; V6-F30 HydrophobicContact CG1-CG 3.72Å; I21-F30 HydrophobicContact CG2-CE2 4.42Å; I21-F30 HydrophobicContact CG2-CZ 3.97Å; L22-F30 HydrophobicContact CD2-CD2 3.62Å; L22-F30 HydrophobicContact CD2-CE2 3.76Å; D25-F30 HydrophobicContact CB-CE1 4.33Å; D25-F30 HydrophobicContact CB-CE2 4.06Å; D25-F30 HydrophobicContact CB-CZ 3.39Å; D25-F30 WeakPolarHBondContact OD2-CZ 3.46Å; E27-F30 WeakPolarHBondContact O-CD2 3.38Å; E27-F30 WeakPolarHBondContact O-CE2 3.38Å; F30-N37 WeakPolarHBondContact O-CA 3.38Å; F30-N37 WeakPolarHBondContact O-CB 3.45Å; F30-P38 HydrophobicContact CB-CG 4.23Å; F30-P38 WeakPolarHBondContact O-CD 3.33Å
31V89.5Confident85.3Confident69 Ų6958.7 Ų58.742%0.41832%0.324SS..  trans-134.4145172.1-67.30000110S29 R36 N37S29-V31 PolarHBondContact O-N 3.22Å; V31-R36 CarbonylContact C-O 3.59Å; V31-R36 VanDerWaalsContact CA-O 3.28Å; V31-R36 WeakPolarHBondContact CA-O 3.35Å; V31-N37 HydrophobicContact CG1-CB 4.13Å
32D91.6Very high85.7Confident31 Ų3157.4 Ų57.417%0.16632%0.317CS..  trans-79.3-175.8169.169.915.9000112.1A34 G35 R36 W41D32-A34 PolarHBondContact O-N 2.84Å; D32-A34 VanDerWaalsContact O-N 3.16Å; D32-A34 WeakPolarHBondContact OD1-CA 3.32Å; D32-A34 WeakPolarHBondContact OD1-CB 3.26Å; D32-A34 PolarHBondContact OD1-N 3.08Å; D32-G35 PolarHBondContact O-N 2.74Å; D32-G35 PolarHBondContact OD1-N 3.26Å; D32-G35 VanDerWaalsContact OD1-N 3.16Å; D32-R36 PolarHBondContact N-O 3.44Å; D32-R36 WeakPolarHBondContact OD1-CB 3.46Å; D32-R36 PolarHBondContact OD1-N 3.14Å; D32-R36 WeakPolarHBondContact OD2-CB 3.37Å; D32-W41 VanDerWaalsContact OD2-CE2 3.26Å; D32-W41 WeakPolarHBondContact OD2-CZ2 3.35Å; D32-W41 PolarHBondContact OD2-NE1 3.37Å
33Q91.9Very high86.2Confident188 Ų18856.4 Ų56.488%0.87931%0.311SS*.THydrogen-bonded Turntrans-61.8-21.6179.8-68.4-179.3-17.900114G35 Q66Q33-G35 VanDerWaalsContact C-N 3.35Å; Q33-Q66 VanDerWaalsContact O-CD 3.29Å; Q33-Q66 PolarHBondContact O-NE2 2.94Å; Q33-Q66 PolarHBondContact O-OE1 3.33Å; Q33-Q66 VanDerWaalsContact O-OE1 3.12Å
34A93.3Very high86.8Confident34 Ų3451.7 Ų51.728%0.28129%0.292SS..THydrogen-bonded Turntrans-91.33.3175.800000112.3D32 R36 D65 Q66D32-A34 PolarHBondContact O-N 2.84Å; D32-A34 VanDerWaalsContact O-N 3.16Å; D32-A34 WeakPolarHBondContact OD1-CA 3.32Å; D32-A34 WeakPolarHBondContact OD1-CB 3.26Å; D32-A34 PolarHBondContact OD1-N 3.08Å; A34-R36 VanDerWaalsContact C-N 3.35Å; A34-R36 HydrophobicContact CB-CG 4.3Å; A34-D65 WeakPolarHBondContact O-CB 3.44Å; A34-Q66 VanDerWaalsContact O-CB 3.31Å; A34-Q66 WeakPolarHBondContact O-CB 3.33Å; A34-Q66 WeakPolarHBondContact O-CG 3.26Å; A34-Q66 PolarHBondContact O-N 3.01Å
35G93.9Very high87.5Confident15 Ų1548 Ų4816%0.15527%0.268CS..SBendtrans79.513.3-176.100000114D32 Q33D32-G35 PolarHBondContact O-N 2.74Å; D32-G35 PolarHBondContact OD1-N 3.26Å; D32-G35 VanDerWaalsContact OD1-N 3.16Å; Q33-G35 VanDerWaalsContact C-N 3.35Å
36R95Very high88.8Confident69 Ų6944.8 Ų44.826%0.2626%0.255SS..  trans-88.3128.9-178.2-62.8173.4178.9171.22.2110.7V31 D32 A34 H40 D65V31-R36 CarbonylContact C-O 3.59Å; V31-R36 VanDerWaalsContact CA-O 3.28Å; V31-R36 WeakPolarHBondContact CA-O 3.35Å; D32-R36 PolarHBondContact N-O 3.44Å; D32-R36 WeakPolarHBondContact OD1-CB 3.46Å; D32-R36 PolarHBondContact OD1-N 3.14Å; D32-R36 WeakPolarHBondContact OD2-CB 3.37Å; A34-R36 VanDerWaalsContact C-N 3.35Å; A34-R36 HydrophobicContact CB-CG 4.3Å; R36-H40 HydrophobicContact CB-CB 3.85Å; R36-H40 HydrophobicContact CG-CB 4.2Å; R36-D65 HydrophobicContact CG-CB 3.54Å; R36-D65 IonicContact CZ-OD2 3.96Å; R36-D65 IonicContact NE-OD2 3.63Å; R36-D65 PolarHBondContact NE-OD2 3.4Å; R36-D65 IonicContact NH2-OD2 2.64Å; R36-D65 PolarHBondContact NH2-OD2 3.02Å
37N93.9Very high90.5Very high14 Ų1444.2 Ų44.28%0.07523%0.233CC..  trans-91.4174.517571.715.3000112.3F30 V31 L39 H40 W41 F59 C63F30-N37 WeakPolarHBondContact O-CA 3.38Å; F30-N37 WeakPolarHBondContact O-CB 3.45Å; V31-N37 HydrophobicContact CG1-CB 4.13Å; N37-L39 PolarHBondContact O-N 3.25Å; N37-L39 VanDerWaalsContact O-N 3.07Å; N37-L39 WeakPolarHBondContact OD1-CA 3.38Å; N37-L39 VanDerWaalsContact OD1-CB 3.31Å; N37-L39 WeakPolarHBondContact OD1-CB 3.25Å; N37-L39 PolarHBondContact OD1-N 3.21Å; N37-H40 PolarHBondContact N-ND1 3.37Å; N37-H40 WeakPolarHBondContact O-CB 3.05Å; N37-H40 PolarHBondContact O-N 2.9Å; N37-H40 VanDerWaalsContact O-N 3.09Å; N37-H40 PolarHBondContact OD1-N 3.35Å; N37-H40 VanDerWaalsContact OD1-N 3.15Å; N37-H40 PolarHBondContact OD1-ND1 3.07Å; N37-W41 PolarHBondContact O-N 3.37Å; N37-F59 HydrophobicContact CB-CE1 4.3Å; N37-C63 PolarHBondContact ND2-SG 2.94Å
38P95.1Very high92.4Very high0 Ų040.2 Ų40.20%022%0.216CC..Hα-helixtrans-51.5-30.5175.7-33.138.1000115.1V6 A10 F30 W41 A42 L54 F59V6-P38 HydrophobicContact CB-CG 4.45Å; V6-P38 HydrophobicContact CG1-CG 3.99Å; V6-P38 HydrophobicContact CG2-CB 4.39Å; V6-P38 HydrophobicContact CG2-CG 3.71Å; A10-P38 HydrophobicContact CB-CB 3.9Å; A10-P38 WeakPolarHBondContact CB-O 3.49Å; F30-P38 HydrophobicContact CB-CG 4.23Å; F30-P38 WeakPolarHBondContact O-CD 3.33Å; P38-W41 PolarHBondContact O-N 3.49Å; P38-A42 VanDerWaalsContact O-CB 3.32Å; P38-A42 WeakPolarHBondContact O-CB 3.18Å; P38-A42 PolarHBondContact O-N 3.26Å; P38-L54 HydrophobicContact CB-CD1 4.08Å; P38-L54 HydrophobicContact CB-CD2 4.09Å; P38-F59 HydrophobicContact CB-CE1 4.47Å; P38-F59 HydrophobicContact CG-CE1 4.35Å; P38-F59 HydrophobicContact CG-CZ 4.43Å
39L96.3Very high94Very high0 Ų039.7 Ų39.70%022%0.215CC..Hα-helixtrans-69.3-39.5179.3-177.562.4000112.1N37 W41 A43 V51 L54 L55 F59 D60 P71N37-L39 PolarHBondContact O-N 3.25Å; N37-L39 VanDerWaalsContact O-N 3.07Å; N37-L39 WeakPolarHBondContact OD1-CA 3.38Å; N37-L39 VanDerWaalsContact OD1-CB 3.31Å; N37-L39 WeakPolarHBondContact OD1-CB 3.25Å; N37-L39 PolarHBondContact OD1-N 3.21Å; L39-W41 VanDerWaalsContact C-N 3.3Å; L39-W41 PolarHBondContact O-N 3.19Å; L39-A43 VanDerWaalsContact O-CB 3.26Å; L39-A43 WeakPolarHBondContact O-CB 3.46Å; L39-A43 PolarHBondContact O-N 2.88Å; L39-V51 HydrophobicContact CD1-CB 4.32Å; L39-V51 HydrophobicContact CD1-CG1 3.99Å; L39-V51 HydrophobicContact CD1-CG2 4.19Å; L39-L54 HydrophobicContact CB-CD1 4.21Å; L39-L54 HydrophobicContact CD1-CB 4.15Å; L39-L54 HydrophobicContact CD1-CD1 4.25Å; L39-L55 HydrophobicContact CD1-CD2 4.28Å; L39-L55 HydrophobicContact CD2-CD2 3.65Å; L39-F59 HydrophobicContact CB-CD1 4.29Å; L39-F59 HydrophobicContact CD2-CB 4.18Å; L39-D60 WeakPolarHBondContact CD2-O 3.45Å; L39-P71 HydrophobicContact CB-CG 4.38Å; L39-P71 HydrophobicContact CD2-CB 4.34Å; L39-P71 HydrophobicContact CD2-CG 3.81Å; L39-P71 HydrophobicContact CG-CB 3.97Å; L39-P71 HydrophobicContact CG-CG 3.72Å
40H97.6Very high95.3Very high1 Ų136.4 Ų36.41%0.00519%0.192CC..Hα-helixtrans-58.8-43.9172.3-67.187.6000111.2R36 N37 A43 C44 C63 D65 W69 I74R36-H40 HydrophobicContact CB-CB 3.85Å; R36-H40 HydrophobicContact CG-CB 4.2Å; N37-H40 PolarHBondContact N-ND1 3.37Å; N37-H40 WeakPolarHBondContact O-CB 3.05Å; N37-H40 PolarHBondContact O-N 2.9Å; N37-H40 VanDerWaalsContact O-N 3.09Å; N37-H40 PolarHBondContact OD1-N 3.35Å; N37-H40 VanDerWaalsContact OD1-N 3.15Å; N37-H40 PolarHBondContact OD1-ND1 3.07Å; H40-A43 PolarHBondContact O-N 3.47Å; H40-C44 WeakPolarHBondContact O-CB 3.34Å; H40-C44 PolarHBondContact O-N 3.08Å; H40-C63 PolarHBondContact CE1-SG 3.17Å; H40-C63 PolarHBondContact NE2-O 3.23Å; H40-D65 PolarHBondContact NE2-N 3.43Å; H40-W69 PolarHBondContact NE2-O 2.95Å; H40-W69 VanDerWaalsContact NE2-O 3.08Å; H40-I74 HydrophobicContact CB-CD1 3.8Å
41W97.4Very high96.1Very high58 Ų5836 Ų3622%0.2219%0.19CC..Hα-helixtrans-73.5-40-177.9-72.4110.2000113C7 A10 Y11 D32 N37 P38 L39 A43 C44 G45C7-W41 VanDerWaalsContact CB-CD1 3.46Å; C7-W41 HydrophobicContact CB-CG 4.13Å; C7-W41 WeakPolarHBondContact O-CB 3.01Å; A10-W41 HydrophobicContact CB-CB 4.03Å; Y11-W41 AromaticContact CD2-CE3 3.74Å; Y11-W41 HydrophobicContact CD2-CE3 3.74Å; Y11-W41 HydrophobicContact CD2-CZ3 4.13Å; Y11-W41 HydrophobicContact CG-CE3 4.19Å; D32-W41 VanDerWaalsContact OD2-CE2 3.26Å; D32-W41 WeakPolarHBondContact OD2-CZ2 3.35Å; D32-W41 PolarHBondContact OD2-NE1 3.37Å; N37-W41 PolarHBondContact O-N 3.37Å; P38-W41 PolarHBondContact O-N 3.49Å; L39-W41 VanDerWaalsContact C-N 3.3Å; L39-W41 PolarHBondContact O-N 3.19Å; W41-A43 VanDerWaalsContact C-N 3.28Å; W41-A43 PolarHBondContact O-N 3.39Å; W41-C44 HydrophobicContact CE3-CB 4.43Å; W41-C44 WeakPolarHBondContact O-CB 3.13Å; W41-C44 PolarHBondContact O-N 3.18Å; W41-G45 PolarHBondContact O-N 2.85Å
42A98Very high96.4Very high0 Ų036.4 Ų36.40%019%0.186CC..Hα-helixtrans-60.4-39.8171.400000111.6A10 P38 G45 G46 H47 L50 V51 L54A10-A42 WeakPolarHBondContact O-CA 3.27Å; P38-A42 VanDerWaalsContact O-CB 3.32Å; P38-A42 WeakPolarHBondContact O-CB 3.18Å; P38-A42 PolarHBondContact O-N 3.26Å; A42-G45 PolarHBondContact O-N 3.25Å; A42-G46 PolarHBondContact O-N 2.96Å; A42-H47 PolarHBondContact O-N 3.42Å; A42-H47 VanDerWaalsContact O-N 3.08Å; A42-L50 HydrophobicContact CB-CB 4.28Å; A42-L50 HydrophobicContact CB-CD2 3.77Å; A42-L50 HydrophobicContact CB-CG 3.87Å; A42-V51 HydrophobicContact CB-CG2 3.91Å; A42-L54 HydrophobicContact CB-CD1 3.82Å
43A98.5Very high96.6Very high0 Ų036 Ų360%019%0.185CC..Hα-helixtrans-67.2-38.2174.700000112.8L39 H40 W41 G46 P71 A75 R80 V83L39-A43 VanDerWaalsContact O-CB 3.26Å; L39-A43 WeakPolarHBondContact O-CB 3.46Å; L39-A43 PolarHBondContact O-N 2.88Å; H40-A43 PolarHBondContact O-N 3.47Å; W41-A43 VanDerWaalsContact C-N 3.28Å; W41-A43 PolarHBondContact O-N 3.39Å; A43-G46 PolarHBondContact O-N 3.24Å; A43-P71 HydrophobicContact CB-CB 3.98Å; A43-P71 WeakPolarHBondContact CB-O 3.42Å; A43-A75 HydrophobicContact CB-CB 4.29Å; A43-R80 WeakPolarHBondContact O-CG 3.48Å; A43-V83 HydrophobicContact CB-CG1 4.08Å
44C98.1Very high96.8Very high27 Ų2727.1 Ų27.118%0.18214%0.143CC..Hα-helixtrans-63.9-42.1173.3-166.80000112.4Y11 H40 W41 G46 I74 R80Y11-C44 HydrophobicContact CD2-CB 4.18Å; Y11-C44 HydrophobicContact CE2-CB 4.36Å; H40-C44 WeakPolarHBondContact O-CB 3.34Å; H40-C44 PolarHBondContact O-N 3.08Å; W41-C44 HydrophobicContact CE3-CB 4.43Å; W41-C44 WeakPolarHBondContact O-CB 3.13Å; W41-C44 PolarHBondContact O-N 3.18Å; C44-G46 VanDerWaalsContact C-N 3.32Å; C44-G46 PolarHBondContact O-N 3.45Å; C44-I74 HydrophobicContact CB-CG2 3.52Å; C44-R80 PolarHBondContact O-NE 3.46Å
45G98Very high96.9Very high15 Ų1526.9 Ų26.916%0.15514%0.137CC..Hα-helixtrans-71.5-22.7178.200000114W41 A42W41-G45 PolarHBondContact O-N 2.85Å; A42-G45 PolarHBondContact O-N 3.25Å
46G98.3Very high96.9Very high14 Ų1430.7 Ų30.714%0.14416%0.162CC..THydrogen-bonded Turntrans8421.7-177.900000114A42 A43 C44 L48 N82A42-G46 PolarHBondContact O-N 2.96Å; A43-G46 PolarHBondContact O-N 3.24Å; C44-G46 VanDerWaalsContact C-N 3.32Å; C44-G46 PolarHBondContact O-N 3.45Å; G46-L48 PolarHBondContact O-N 3.23Å; G46-L48 VanDerWaalsContact O-N 3.14Å; G46-N82 PolarHBondContact O-ND2 2.87Å
47H98.5Very high96.7Very high59 Ų5931.7 Ų31.727%0.27317%0.166SC..  trans-88.479.9-172.8-58.5-58.9000111.4A10 Y11 D12 G13 A42 E49 L50 V51A10-H47 PolarHBondContact O-CD2 3.2Å; Y11-H47 PolarHBondContact O-CD2 3.43Å; Y11-H47 VanDerWaalsContact O-CD2 3.26Å; Y11-H47 PolarHBondContact O-NE2 3.35Å; D12-H47 VanDerWaalsContact C-NE2 3.32Å; G13-H47 WeakPolarHBondContact CA-CD2 3.28Å; G13-H47 WeakPolarHBondContact CA-NE2 3.48Å; G13-H47 PolarHBondContact N-CD2 2.83Å; G13-H47 VanDerWaalsContact N-CD2 3.28Å; G13-H47 PolarHBondContact N-NE2 3.27Å; G13-H47 VanDerWaalsContact N-NE2 3.16Å; A42-H47 PolarHBondContact O-N 3.42Å; A42-H47 VanDerWaalsContact O-N 3.08Å; H47-E49 VanDerWaalsContact C-N 3.29Å; H47-E49 PolarHBondContact O-N 2.89Å; H47-L50 HydrophobicContact CB-CB 3.91Å; H47-L50 PolarHBondContact O-N 3.49Å; H47-L50 VanDerWaalsContact O-N 3.07Å; H47-V51 WeakPolarHBondContact O-CG2 3.15Å; H47-V51 PolarHBondContact O-N 3.43Å
48L98.4Very high96.6Very high44 Ų4432.9 Ų32.923%0.2318%0.181CC..Hα-helixtrans-54.1-41.8-176.4177.760.3000113.5G46 L50 V51 K52 V83 Y86G46-L48 PolarHBondContact O-N 3.23Å; G46-L48 VanDerWaalsContact O-N 3.14Å; L48-L50 VanDerWaalsContact C-N 3.34Å; L48-L50 PolarHBondContact O-N 3.44Å; L48-V51 WeakPolarHBondContact O-CB 3.33Å; L48-V51 PolarHBondContact O-N 3.38Å; L48-K52 HydrophobicContact CD1-CG 4.48Å; L48-K52 WeakPolarHBondContact O-CG 3.26Å; L48-K52 PolarHBondContact O-N 3.01Å; L48-V83 HydrophobicContact CB-CG2 4.2Å; L48-Y86 VanDerWaalsContact CD1-CB 3.49Å; L48-Y86 HydrophobicContact CD1-CD1 3.73Å; L48-Y86 HydrophobicContact CD1-CD2 4.02Å; L48-Y86 HydrophobicContact CD1-CG 3.45Å; L48-Y86 VanDerWaalsContact CD1-CG 3.45Å
49E98Very high96.5Very high118 Ų11833.6 Ų33.655%0.55118%0.184SC*.Hα-helixtrans-64-42179.1-172.656.8-156.400111.6H47 K52 V53H47-E49 VanDerWaalsContact C-N 3.29Å; H47-E49 PolarHBondContact O-N 2.89Å; E49-K52 WeakPolarHBondContact O-CB 3.37Å; E49-K52 PolarHBondContact O-N 2.84Å; E49-V53 WeakPolarHBondContact O-CG2 3.31Å; E49-V53 PolarHBondContact O-N 3.33Å
50L97.9Very high96.4Very high0 Ų038.1 Ų38.10%021%0.209CC..Hα-helixtrans-65.9-40.5176.1-177.355.4000111.7A10 V15 V18 A42 H47 L48 K52 V53 L54A10-L50 HydrophobicContact CB-CD2 4Å; V15-L50 HydrophobicContact CG1-CD1 4.49Å; V15-L50 HydrophobicContact CG2-CB 4.08Å; V15-L50 HydrophobicContact CG2-CD1 4.33Å; V18-L50 HydrophobicContact CB-CD1 4.08Å; V18-L50 HydrophobicContact CG1-CD1 3.98Å; V18-L50 HydrophobicContact CG2-CD1 4.39Å; V18-L50 HydrophobicContact CG2-CD2 4.06Å; A42-L50 HydrophobicContact CB-CB 4.28Å; A42-L50 HydrophobicContact CB-CD2 3.77Å; A42-L50 HydrophobicContact CB-CG 3.87Å; H47-L50 HydrophobicContact CB-CB 3.91Å; H47-L50 PolarHBondContact O-N 3.49Å; H47-L50 VanDerWaalsContact O-N 3.07Å; L48-L50 VanDerWaalsContact C-N 3.34Å; L48-L50 PolarHBondContact O-N 3.44Å; L50-K52 VanDerWaalsContact C-N 3.32Å; L50-K52 PolarHBondContact O-N 2.92Å; L50-V53 PolarHBondContact O-N 2.96Å; L50-L54 HydrophobicContact CD1-CD1 4.22Å; L50-L54 HydrophobicContact CD1-CG 4.05Å; L50-L54 HydrophobicContact CG-CD1 3.92Å; L50-L54 HydrophobicContact CG-CG 4.25Å; L50-L54 WeakPolarHBondContact O-CB 3.38Å; L50-L54 VanDerWaalsContact O-CG 3.26Å; L50-L54 WeakPolarHBondContact O-CG 3.33Å; L50-L54 PolarHBondContact O-N 2.98Å
51V98.1Very high96.2Very high0 Ų039.7 Ų39.70%022%0.215CC..Hα-helixtrans-55.9-48.2174167.50000110.4L39 A42 H47 L48 V53 L54 L55 V83 Y86 L87L39-V51 HydrophobicContact CD1-CB 4.32Å; L39-V51 HydrophobicContact CD1-CG1 3.99Å; L39-V51 HydrophobicContact CD1-CG2 4.19Å; A42-V51 HydrophobicContact CB-CG2 3.91Å; H47-V51 WeakPolarHBondContact O-CG2 3.15Å; H47-V51 PolarHBondContact O-N 3.43Å; L48-V51 WeakPolarHBondContact O-CB 3.33Å; L48-V51 PolarHBondContact O-N 3.38Å; V51-V53 PolarHBondContact O-N 2.83Å; V51-L54 PolarHBondContact O-N 3.07Å; V51-L55 HydrophobicContact CG1-CD1 4.31Å; V51-L55 HydrophobicContact CG1-CG 4.48Å; V51-L55 WeakPolarHBondContact O-CG 3.46Å; V51-L55 PolarHBondContact O-N 3.27Å; V51-V83 HydrophobicContact CG1-CG1 4.46Å; V51-V83 HydrophobicContact CG2-CG1 3.9Å; V51-V83 HydrophobicContact CG2-CG2 4.31Å; V51-Y86 HydrophobicContact CG1-CD1 4.13Å; V51-Y86 HydrophobicContact CG1-CE1 4.22Å; V51-L87 HydrophobicContact CG1-CD2 4.04Å
52K97.4Very high96.1Very high78 Ų7838.5 Ų38.534%0.33921%0.213SC..Hα-helixtrans-57.7-46.9176.5-71.2174.4178.2-179.30112.4L48 E49 L50 L54 L55 S56 Y86L48-K52 HydrophobicContact CD1-CG 4.48Å; L48-K52 WeakPolarHBondContact O-CG 3.26Å; L48-K52 PolarHBondContact O-N 3.01Å; E49-K52 WeakPolarHBondContact O-CB 3.37Å; E49-K52 PolarHBondContact O-N 2.84Å; L50-K52 VanDerWaalsContact C-N 3.32Å; L50-K52 PolarHBondContact O-N 2.92Å; K52-L54 VanDerWaalsContact C-N 3.35Å; K52-L54 PolarHBondContact O-N 2.83Å; K52-L55 PolarHBondContact O-N 2.91Å; K52-S56 WeakPolarHBondContact O-CB 3.44Å; K52-S56 PolarHBondContact O-N 3.44Å; K52-Y86 HydrophobicContact CD-CE2 4.44Å; K52-Y86 HydrophobicContact CG-CE1 3.93Å; K52-Y86 HydrophobicContact CG-CE2 4.05Å
53V95.7Very high95.9Very high23 Ų2339.3 Ų39.314%0.13922%0.219CC..Hα-helixtrans-63.1-39.6178.9171.30000112.1V15 V19 E49 L50 V51 S56 R57V15-V53 HydrophobicContact CG1-CG2 4.41Å; V19-V53 HydrophobicContact CG2-CG1 3.71Å; E49-V53 WeakPolarHBondContact O-CG2 3.31Å; E49-V53 PolarHBondContact O-N 3.33Å; L50-V53 PolarHBondContact O-N 2.96Å; V51-V53 PolarHBondContact O-N 2.83Å; V53-S56 PolarHBondContact O-OG 3.15Å; V53-R57 WeakPolarHBondContact O-CG 3.44Å; V53-R57 PolarHBondContact O-N 3.09Å; V53-R57 VanDerWaalsContact O-N 3.17Å
54L95Very high95.9Very high0 Ų044.5 Ų44.50%024%0.241CC..Hα-helixtrans-67.8-44.4177.5-70171.2000110.9V18 L22 P38 L39 A42 L50 V51 K52 S56 R57 G58 F59V18-L54 HydrophobicContact CG1-CD2 4.09Å; L22-L54 HydrophobicContact CD1-CD2 3.63Å; P38-L54 HydrophobicContact CB-CD1 4.08Å; P38-L54 HydrophobicContact CB-CD2 4.09Å; L39-L54 HydrophobicContact CB-CD1 4.21Å; L39-L54 HydrophobicContact CD1-CB 4.15Å; L39-L54 HydrophobicContact CD1-CD1 4.25Å; A42-L54 HydrophobicContact CB-CD1 3.82Å; L50-L54 HydrophobicContact CD1-CD1 4.22Å; L50-L54 HydrophobicContact CD1-CG 4.05Å; L50-L54 HydrophobicContact CG-CD1 3.92Å; L50-L54 HydrophobicContact CG-CG 4.25Å; L50-L54 WeakPolarHBondContact O-CB 3.38Å; L50-L54 VanDerWaalsContact O-CG 3.26Å; L50-L54 WeakPolarHBondContact O-CG 3.33Å; L50-L54 PolarHBondContact O-N 2.98Å; V51-L54 PolarHBondContact O-N 3.07Å; K52-L54 VanDerWaalsContact C-N 3.35Å; K52-L54 PolarHBondContact O-N 2.83Å; L54-S56 PolarHBondContact O-N 3.21Å; L54-R57 PolarHBondContact O-N 2.93Å; L54-G58 PolarHBondContact O-N 3.06Å; L54-F59 HydrophobicContact CB-CB 4.47Å; L54-F59 HydrophobicContact CB-CD2 4.15Å; L54-F59 HydrophobicContact CB-CG 4.28Å; L54-F59 HydrophobicContact CD2-CD2 4.02Å; L54-F59 HydrophobicContact CD2-CE2 3.76Å; L54-F59 HydrophobicContact CD2-CZ 4.08Å; L54-F59 WeakPolarHBondContact O-CB 3.37Å; L54-F59 VanDerWaalsContact O-CD2 3.26Å; L54-F59 WeakPolarHBondContact O-CD2 3.48Å; L54-F59 PolarHBondContact O-N 2.82Å
55L95.1Very high95.8Very high29 Ų2943.5 Ų43.515%0.15223%0.234CC..Hα-helixtrans-63.4-41175.6-66.4-173.9000112.3L39 V51 K52 R57 G58 K61 Y86 L87 Q90L39-L55 HydrophobicContact CD1-CD2 4.28Å; L39-L55 HydrophobicContact CD2-CD2 3.65Å; V51-L55 HydrophobicContact CG1-CD1 4.31Å; V51-L55 HydrophobicContact CG1-CG 4.48Å; V51-L55 WeakPolarHBondContact O-CG 3.46Å; V51-L55 PolarHBondContact O-N 3.27Å; K52-L55 PolarHBondContact O-N 2.91Å; L55-R57 PolarHBondContact O-N 2.93Å; L55-G58 WeakPolarHBondContact O-CA 3.48Å; L55-G58 PolarHBondContact O-N 3.31Å; L55-K61 HydrophobicContact CD2-CB 3.63Å; L55-Y86 HydrophobicContact CD1-CE1 3.83Å; L55-L87 HydrophobicContact CD1-CD2 4.15Å; L55-Q90 HydrophobicContact CD1-CG 4.3Å
56S93.7Very high95.8Very high96 Ų9649.4 Ų49.467%0.67126%0.258SS*.Hα-helixtrans-66.4-22.4177.278.80000112.9K52 V53 L54K52-S56 WeakPolarHBondContact O-CB 3.44Å; K52-S56 PolarHBondContact O-N 3.44Å; V53-S56 PolarHBondContact O-OG 3.15Å; L54-S56 PolarHBondContact O-N 3.21Å
57R91.7Very high95.7Very high90 Ų9051.2 Ų51.234%0.3427%0.268SS..THydrogen-bonded Turntrans-83.83.6170.4-75.9-177.9157.169.60.5112.7E23 K28 V53 L54 L55 F59E23-R57 IonicContact OE1-NH2 3.7Å; E23-R57 PolarHBondContact OE1-NH2 3.41Å; K28-R57 WeakPolarHBondContact CE-O 3.35Å; K28-R57 PolarHBondContact NZ-O 3.03Å; K28-R57 VanDerWaalsContact NZ-O 3.08Å; V53-R57 WeakPolarHBondContact O-CG 3.44Å; V53-R57 PolarHBondContact O-N 3.09Å; V53-R57 VanDerWaalsContact O-N 3.17Å; L54-R57 PolarHBondContact O-N 2.93Å; L55-R57 PolarHBondContact O-N 2.93Å; R57-F59 HydrophobicContact CB-CD2 4.46Å
58G91.8Very high95.7Very high39 Ų3951.8 Ų51.840%0.40227%0.273SS..THydrogen-bonded Turntrans74.634.4175.200000113.5K28 L54 L55K28-G58 PolarHBondContact NZ-O 3.42Å; L54-G58 PolarHBondContact O-N 3.06Å; L55-G58 WeakPolarHBondContact O-CA 3.48Å; L55-G58 PolarHBondContact O-N 3.31Å
59F93.1Very high95.7Very high14 Ų1451.7 Ų51.76%0.06127%0.27CS..  trans-65.9136.5158-81.9-104.8000108.9L22 N37 P38 L39 L54 R57 K61L22-F59 HydrophobicContact CD1-CE2 3.99Å; L22-F59 HydrophobicContact CD1-CZ 4.28Å; L22-F59 HydrophobicContact CD2-CE2 4.27Å; L22-F59 HydrophobicContact CD2-CZ 3.9Å; N37-F59 HydrophobicContact CB-CE1 4.3Å; P38-F59 HydrophobicContact CB-CE1 4.47Å; P38-F59 HydrophobicContact CG-CE1 4.35Å; P38-F59 HydrophobicContact CG-CZ 4.43Å; L39-F59 HydrophobicContact CB-CD1 4.29Å; L39-F59 HydrophobicContact CD2-CB 4.18Å; L54-F59 HydrophobicContact CB-CB 4.47Å; L54-F59 HydrophobicContact CB-CD2 4.15Å; L54-F59 HydrophobicContact CB-CG 4.28Å; L54-F59 HydrophobicContact CD2-CD2 4.02Å; L54-F59 HydrophobicContact CD2-CE2 3.76Å; L54-F59 HydrophobicContact CD2-CZ 4.08Å; L54-F59 WeakPolarHBondContact O-CB 3.37Å; L54-F59 VanDerWaalsContact O-CD2 3.26Å; L54-F59 WeakPolarHBondContact O-CD2 3.48Å; L54-F59 PolarHBondContact O-N 2.82Å; R57-F59 HydrophobicContact CB-CD2 4.46Å; F59-K61 PolarHBondContact O-N 3.29Å
60D93.9Very high95.7Very high96 Ų9646.2 Ų46.251%0.51324%0.244SC..  trans-68.9120.5174177.413.8000109.7L39 D62 C63L39-D60 WeakPolarHBondContact CD2-O 3.45Å; D60-D62 VanDerWaalsContact C-N 3.26Å; D60-D62 PolarHBondContact O-N 3.36Å; D60-D62 PolarHBondContact OD1-N 2.98Å; D60-C63 HydrophobicContact CB-CB 4.15Å; D60-C63 WeakPolarHBondContact O-CB 3.39Å; D60-C63 PolarHBondContact O-N 3.41Å; D60-C63 PolarHBondContact O-SG 2.73Å; D60-C63 PolarHBondContact OD2-N 3.25Å
61K94.1Very high95.7Very high34 Ų3446.2 Ų46.215%0.14824%0.244CC..THydrogen-bonded Turntrans-67.3-26.9-179.466.5-177.3179.5172.90113.2L55 F59 P71 Q90 E91 H92 A93L55-K61 HydrophobicContact CD2-CB 3.63Å; F59-K61 PolarHBondContact O-N 3.29Å; K61-P71 WeakPolarHBondContact O-CD 3.45Å; K61-Q90 HydrophobicContact CD-CB 4.05Å; K61-E91 PolarHBondContact NZ-O 3.01Å; K61-H92 PolarHBondContact NZ-O 2.87Å; K61-H92 VanDerWaalsContact NZ-O 3.07Å; K61-A93 VanDerWaalsContact NZ-CA 3.27Å
62D94.7Very high95.7Very high33 Ų3346.4 Ų46.418%0.17625%0.245CC..THydrogen-bonded Turntrans-103.816.5-177.8-62.9-44000111.4D60 D94D60-D62 VanDerWaalsContact C-N 3.26Å; D60-D62 PolarHBondContact O-N 3.36Å; D60-D62 PolarHBondContact OD1-N 2.98Å; D62-D94 PolarHBondContact OD2-N 3.4Å
63C94.7Very high95.7Very high17 Ų1742.7 Ų42.712%0.11523%0.229CC..  trans-54.8148.6174.261.70000111.3N37 H40 D60 T70 P71N37-C63 PolarHBondContact ND2-SG 2.94Å; H40-C63 PolarHBondContact CE1-SG 3.17Å; H40-C63 PolarHBondContact NE2-O 3.23Å; D60-C63 HydrophobicContact CB-CB 4.15Å; D60-C63 WeakPolarHBondContact O-CB 3.39Å; D60-C63 PolarHBondContact O-N 3.41Å; D60-C63 PolarHBondContact O-SG 2.73Å; D60-C63 PolarHBondContact OD2-N 3.25Å; C63-T70 WeakPolarHBondContact O-CA 3.28Å; C63-P71 VanDerWaalsContact O-CD 3.25Å; C63-P71 WeakPolarHBondContact O-CD 3.41Å
64K96.8Very high95.8Very high108 Ų10842.2 Ų42.247%0.4723%0.226SC..  trans-120.3134.7-174.5-67.3179.3-168.9179.40110.5N68 W69 T70 V97K64-N68 HydrophobicContact CD-CB 4.44Å; K64-W69 WeakPolarHBondContact CA-O 3.11Å; K64-T70 HydrophobicContact CG-CG2 4.2Å; K64-V97 HydrophobicContact CD-CG1 4.46Å
65D96.4Very high96Very high6 Ų642.2 Ų42.23%0.03223%0.226CC..  trans-74.6177.6165.285.7-2.6000111.5A34 R36 H40 S67 N68 W69A34-D65 WeakPolarHBondContact O-CB 3.44Å; R36-D65 HydrophobicContact CG-CB 3.54Å; R36-D65 IonicContact CZ-OD2 3.96Å; R36-D65 IonicContact NE-OD2 3.63Å; R36-D65 PolarHBondContact NE-OD2 3.4Å; R36-D65 IonicContact NH2-OD2 2.64Å; R36-D65 PolarHBondContact NH2-OD2 3.02Å; H40-D65 PolarHBondContact NE2-N 3.43Å; D65-S67 PolarHBondContact O-N 3.43Å; D65-S67 VanDerWaalsContact O-N 3.07Å; D65-S67 VanDerWaalsContact OD1-C 3.3Å; D65-S67 VanDerWaalsContact OD1-CA 3.3Å; D65-S67 WeakPolarHBondContact OD1-CA 3.24Å; D65-S67 WeakPolarHBondContact OD1-CB 3.43Å; D65-S67 PolarHBondContact OD1-N 3.07Å; D65-N68 PolarHBondContact O-N 3.41Å; D65-N68 PolarHBondContact OD1-N 3.42Å; D65-W69 PolarHBondContact N-O 3.33Å; D65-W69 WeakPolarHBondContact OD1-CB 3.38Å; D65-W69 PolarHBondContact OD1-N 3.34Å
66Q97.3Very high96.1Very high140 Ų14040.9 Ų40.965%0.65422%0.219SC*.THydrogen-bonded Turntrans-60.6-19.6-179.2-71.7171.90.300113.8Q33 A34Q33-Q66 VanDerWaalsContact O-CD 3.29Å; Q33-Q66 PolarHBondContact O-NE2 2.94Å; Q33-Q66 PolarHBondContact O-OE1 3.33Å; Q33-Q66 VanDerWaalsContact O-OE1 3.12Å; A34-Q66 VanDerWaalsContact O-CB 3.31Å; A34-Q66 WeakPolarHBondContact O-CB 3.33Å; A34-Q66 WeakPolarHBondContact O-CG 3.26Å; A34-Q66 PolarHBondContact O-N 3.01Å
67S97.6Very high96.3Very high52 Ų5238.2 Ų38.236%0.36420%0.2SC..THydrogen-bonded Turntrans-10115.9176.9-68.50000112.2D65 W69 S100D65-S67 PolarHBondContact O-N 3.43Å; D65-S67 VanDerWaalsContact O-N 3.07Å; D65-S67 VanDerWaalsContact OD1-C 3.3Å; D65-S67 VanDerWaalsContact OD1-CA 3.3Å; D65-S67 WeakPolarHBondContact OD1-CA 3.24Å; D65-S67 WeakPolarHBondContact OD1-CB 3.43Å; D65-S67 PolarHBondContact OD1-N 3.07Å; S67-W69 PolarHBondContact O-N 3.49Å; S67-S100 WeakPolarHBondContact O-CB 3.4Å; S67-S100 PolarHBondContact O-N 3.07Å; S67-S100 PolarHBondContact O-OG 2.85Å; S67-S100 VanDerWaalsContact O-OG 3.13Å
68N97.7Very high96.6Very high70 Ų7035.7 Ų35.737%0.37420%0.198SC..  trans6124.1-177.2-69.7-28.9000114.8K64 D65K64-N68 HydrophobicContact CD-CB 4.44Å; D65-N68 PolarHBondContact O-N 3.41Å; D65-N68 PolarHBondContact OD1-N 3.42Å
69W98.1Very high96.8Very high43 Ų4335.3 Ų35.316%0.16320%0.195CC..  trans-78.3133.7172.8-73.474.8000110.7H40 K64 D65 S67 M73 I74 N99 Y108H40-W69 PolarHBondContact NE2-O 2.95Å; H40-W69 VanDerWaalsContact NE2-O 3.08Å; K64-W69 WeakPolarHBondContact CA-O 3.11Å; D65-W69 PolarHBondContact N-O 3.33Å; D65-W69 WeakPolarHBondContact OD1-CB 3.38Å; D65-W69 PolarHBondContact OD1-N 3.34Å; S67-W69 PolarHBondContact O-N 3.49Å; W69-M73 HydrophobicContact CD2-CB 4.45Å; W69-M73 HydrophobicContact CE3-CB 3.5Å; W69-M73 HydrophobicContact CE3-SD 4.47Å; W69-M73 HydrophobicContact CZ3-CB 3.92Å; W69-I74 HydrophobicContact CB-CD1 4.38Å; W69-I74 HydrophobicContact CB-CG1 4.2Å; W69-I74 HydrophobicContact CE3-CG1 3.9Å; W69-N99 HydrophobicContact CG-CB 4.5Å; W69-Y108 HydrophobicContact CH2-CD1 4.3Å; W69-Y108 AromaticContact CH2-CE1 3.41Å; W69-Y108 HydrophobicContact CH2-CE1 3.41Å; W69-Y108 VanDerWaalsContact CH2-CE1 3.41Å; W69-Y108 AromaticContact CH2-CE2 3.96Å; W69-Y108 HydrophobicContact CH2-CE2 3.96Å; W69-Y108 AromaticContact CH2-CZ 3.2Å; W69-Y108 WeakPolarHBondContact CH2-OH 3.49Å; W69-Y108 HydrophobicContact CZ2-CE1 4.17Å; W69-Y108 AromaticContact CZ2-CZ 3.73Å; W69-Y108 WeakPolarHBondContact CZ2-OH 3.12Å; W69-Y108 HydrophobicContact CZ3-CE1 4.17Å; W69-Y108 HydrophobicContact CZ3-CE2 4.17Å; W69-Y108 AromaticContact CZ3-CZ 3.86Å
70T97.8Very high97.1Very high2 Ų239 Ų391%0.01221%0.208CC..  trans-94160.4169.967.50000111.3C63 K64 L72 M73 I74 V97C63-T70 WeakPolarHBondContact O-CA 3.28Å; K64-T70 HydrophobicContact CG-CG2 4.2Å; T70-L72 PolarHBondContact O-N 3.19Å; T70-M73 PolarHBondContact O-N 3.11Å; T70-M73 VanDerWaalsContact O-N 3.12Å; T70-M73 WeakPolarHBondContact OG1-CG 3.45Å; T70-M73 PolarHBondContact OG1-N 3.3Å; T70-I74 PolarHBondContact O-N 3.35Å; T70-V97 HydrophobicContact CG2-CB 4.07Å; T70-V97 HydrophobicContact CG2-CG1 3.75Å; T70-V97 HydrophobicContact CG2-CG2 4.13Å
71P97.9Very high97.2Very high0 Ų037.6 Ų37.60%020%0.201CC..Hα-helixtrans-50.8-38.6169.6-28.834.9000113.2L39 A43 K61 C63 I74 A75 L87L39-P71 HydrophobicContact CB-CG 4.38Å; L39-P71 HydrophobicContact CD2-CB 4.34Å; L39-P71 HydrophobicContact CD2-CG 3.81Å; L39-P71 HydrophobicContact CG-CB 3.97Å; L39-P71 HydrophobicContact CG-CG 3.72Å; A43-P71 HydrophobicContact CB-CB 3.98Å; A43-P71 WeakPolarHBondContact CB-O 3.42Å; K61-P71 WeakPolarHBondContact O-CD 3.45Å; C63-P71 VanDerWaalsContact O-CD 3.25Å; C63-P71 WeakPolarHBondContact O-CD 3.41Å; P71-I74 PolarHBondContact O-N 2.57Å; P71-A75 WeakPolarHBondContact O-CB 3.23Å; P71-A75 PolarHBondContact O-N 3.48Å; P71-L87 HydrophobicContact CB-CD1 4.17Å
72L98.3Very high97.4Very high4 Ų440 Ų402%0.02122%0.215CC..Hα-helixtrans-63.3-48.5176.417559000112T70 I74 A75 V76 A84 L87 I88 V95 L121T70-L72 PolarHBondContact O-N 3.19Å; L72-I74 VanDerWaalsContact C-N 3.27Å; L72-I74 PolarHBondContact O-N 2.88Å; L72-A75 PolarHBondContact O-N 2.9Å; L72-V76 HydrophobicContact CD1-CG2 3.97Å; L72-V76 HydrophobicContact CG-CG2 4.47Å; L72-V76 WeakPolarHBondContact O-CG2 3.33Å; L72-V76 PolarHBondContact O-N 2.89Å; L72-A84 HydrophobicContact CD1-CB 4.03Å; L72-L87 HydrophobicContact CB-CB 4.42Å; L72-L87 HydrophobicContact CB-CD1 4.19Å; L72-L87 HydrophobicContact CD1-CB 4.1Å; L72-I88 HydrophobicContact CD1-CD1 4.16Å; L72-I88 HydrophobicContact CD1-CG1 3.75Å; L72-I88 HydrophobicContact CD2-CG1 3.98Å; L72-V95 HydrophobicContact CD2-CG1 4.27Å; L72-L121 HydrophobicContact CD2-CD2 4.28Å
73M98.1Very high97.6Very high0 Ų038.5 Ų38.50%021%0.207CC..Hα-helixtrans-59-41.6177.4-70.3177.9176.500111.9W69 T70 V76 S77 V97 N99 C105W69-M73 HydrophobicContact CD2-CB 4.45Å; W69-M73 HydrophobicContact CE3-CB 3.5Å; W69-M73 HydrophobicContact CE3-SD 4.47Å; W69-M73 HydrophobicContact CZ3-CB 3.92Å; T70-M73 PolarHBondContact O-N 3.11Å; T70-M73 VanDerWaalsContact O-N 3.12Å; T70-M73 WeakPolarHBondContact OG1-CG 3.45Å; T70-M73 PolarHBondContact OG1-N 3.3Å; M73-V76 PolarHBondContact O-N 2.9Å; M73-S77 VanDerWaalsContact O-CB 3.25Å; M73-S77 WeakPolarHBondContact O-CB 3.34Å; M73-S77 PolarHBondContact O-N 2.94Å; M73-V97 HydrophobicContact CE-CB 3.81Å; M73-V97 HydrophobicContact CE-CG1 3.75Å; M73-V97 WeakPolarHBondContact CE-O 3.25Å; M73-N99 HydrophobicContact SD-CB 4.11Å; M73-C105 VanDerWaalsContact CG-SG 3.59Å
74I98.1Very high97.8Very high14 Ų1437.7 Ų37.77%0.07220%0.202CC..Hα-helixtrans-63.2-46.6177-68.3179.8000110.5H40 C44 W69 T70 P71 L72 V76 S77 A78H40-I74 HydrophobicContact CB-CD1 3.8Å; C44-I74 HydrophobicContact CB-CG2 3.52Å; W69-I74 HydrophobicContact CB-CD1 4.38Å; W69-I74 HydrophobicContact CB-CG1 4.2Å; W69-I74 HydrophobicContact CE3-CG1 3.9Å; T70-I74 PolarHBondContact O-N 3.35Å; P71-I74 PolarHBondContact O-N 2.57Å; L72-I74 VanDerWaalsContact C-N 3.27Å; L72-I74 PolarHBondContact O-N 2.88Å; I74-V76 PolarHBondContact O-N 3.16Å; I74-S77 PolarHBondContact O-N 2.73Å; I74-A78 WeakPolarHBondContact O-CB 3.25Å; I74-A78 PolarHBondContact O-N 2.98Å
75A98.4Very high97.9Very high0 Ų033.7 Ų33.70%019%0.187CC..Hα-helixtrans-59.5-45.2176.900000111.8A43 P71 L72 G79 R80 V83 A84A43-A75 HydrophobicContact CB-CB 4.29Å; P71-A75 WeakPolarHBondContact O-CB 3.23Å; P71-A75 PolarHBondContact O-N 3.48Å; L72-A75 PolarHBondContact O-N 2.9Å; A75-G79 PolarHBondContact O-N 2.64Å; A75-G79 VanDerWaalsContact O-N 3.17Å; A75-R80 HydrophobicContact CB-CB 4.22Å; A75-R80 PolarHBondContact O-N 3.35Å; A75-V83 HydrophobicContact CB-CB 4.22Å; A75-V83 HydrophobicContact CB-CG1 3.92Å; A75-A84 HydrophobicContact CB-CB 4.02Å
76V98Very high98Very high0 Ų036 Ų360%020%0.196CC..Hα-helixtrans-62.4-47177.7174.90000110.9L72 M73 I74 A84 C105 C109 R114L72-V76 HydrophobicContact CD1-CG2 3.97Å; L72-V76 HydrophobicContact CG-CG2 4.47Å; L72-V76 WeakPolarHBondContact O-CG2 3.33Å; L72-V76 PolarHBondContact O-N 2.89Å; M73-V76 PolarHBondContact O-N 2.9Å; I74-V76 PolarHBondContact O-N 3.16Å; V76-A84 HydrophobicContact CG2-CB 3.88Å; V76-C105 HydrophobicContact CG2-CB 4.46Å; V76-C109 VanDerWaalsContact CG1-SG 3.6Å; V76-R114 WeakPolarHBondContact O-CD 3.48Å; V76-R114 VanDerWaalsContact O-CZ 3.31Å; V76-R114 PolarHBondContact O-NE 3.14Å; V76-R114 VanDerWaalsContact O-NE 3.09Å; V76-R114 PolarHBondContact O-NH1 3.5Å
77S97.2Very high98Very high40 Ų4029.5 Ų29.528%0.2817%0.166SC..Hα-helixtrans-68.2-40.2-179-177.30000113M73 I74 G79M73-S77 VanDerWaalsContact O-CB 3.25Å; M73-S77 WeakPolarHBondContact O-CB 3.34Å; M73-S77 PolarHBondContact O-N 2.94Å; I74-S77 PolarHBondContact O-N 2.73Å; S77-G79 VanDerWaalsContact C-N 3.33Å; S77-G79 PolarHBondContact O-N 3.09Å
78A97.5Very high98Very high37 Ų3727.7 Ų27.731%0.30615%0.152SC..Hα-helixtrans-82.4-5.8-176.500000114.5I74 R80I74-A78 WeakPolarHBondContact O-CB 3.25Å; I74-A78 PolarHBondContact O-N 2.98Å; A78-R80 HydrophobicContact CB-CG 4.21Å
79G97.1Very high98Very high32 Ų3230.6 Ų30.633%0.3316%0.163SC..THydrogen-bonded Turntrans101.410.5173.100000115.8A75 S77 D81 R114A75-G79 PolarHBondContact O-N 2.64Å; A75-G79 VanDerWaalsContact O-N 3.17Å; S77-G79 VanDerWaalsContact C-N 3.33Å; S77-G79 PolarHBondContact O-N 3.09Å; G79-D81 PolarHBondContact O-N 3.17Å; G79-R114 VanDerWaalsContact C-NH1 3.35Å; G79-R114 VanDerWaalsContact CA-NH1 3.35Å; G79-R114 PolarHBondContact O-NH2 2.82Å
80R98.4Very high97.9Very high91 Ų9131 Ų3134%0.34317%0.167SC..  trans-99.871.1-162.1-49.5-49.9-174.5-166.50.9112A43 C44 A75 A78 N82 V83 A84A43-R80 WeakPolarHBondContact O-CG 3.48Å; C44-R80 PolarHBondContact O-NE 3.46Å; A75-R80 HydrophobicContact CB-CB 4.22Å; A75-R80 PolarHBondContact O-N 3.35Å; A78-R80 HydrophobicContact CB-CG 4.21Å; R80-N82 VanDerWaalsContact C-N 3.35Å; R80-N82 PolarHBondContact O-N 2.92Å; R80-V83 HydrophobicContact CB-CB 4.3Å; R80-V83 PolarHBondContact O-N 3.41Å; R80-V83 VanDerWaalsContact O-N 3.17Å; R80-A84 PolarHBondContact O-N 2.88Å
81D97.9Very high97.6Very high67 Ų6738.3 Ų38.336%0.35820%0.201SC..Hα-helixtrans-60.6-41.5-169.4-64.614.8000112.9G79 V83 A84 S85 R114 L117G79-D81 PolarHBondContact O-N 3.17Å; D81-V83 VanDerWaalsContact C-N 3.33Å; D81-V83 PolarHBondContact O-N 3.05Å; D81-A84 PolarHBondContact O-N 3.42Å; D81-S85 WeakPolarHBondContact O-CB 3.36Å; D81-S85 PolarHBondContact O-N 2.91Å; D81-S85 PolarHBondContact O-OG 3.2Å; D81-S85 VanDerWaalsContact O-OG 3.06Å; D81-R114 IonicContact OD1-CZ 2.9Å; D81-R114 IonicContact OD1-NH1 2.73Å; D81-R114 PolarHBondContact OD1-NH1 2.96Å; D81-R114 IonicContact OD1-NH2 3.97Å; D81-R114 PolarHBondContact OD1-NH2 2.92Å; D81-R114 IonicContact OD2-NH2 3.03Å; D81-L117 HydrophobicContact CB-CD1 4.29Å
82N98.2Very high97.1Very high85 Ų8545.8 Ų45.846%0.45524%0.236SC..Hα-helixtrans-58.4-41.817762.7-22.9000113G46 R80 Y86G46-N82 PolarHBondContact O-ND2 2.87Å; R80-N82 VanDerWaalsContact C-N 3.35Å; R80-N82 PolarHBondContact O-N 2.92Å; N82-Y86 WeakPolarHBondContact O-CB 3.46Å; N82-Y86 PolarHBondContact O-N 3.35Å
83V98.7Very high96.8Very high0 Ų046.7 Ų46.70%024%0.243CC..Hα-helixtrans-73.3-44.7176.81740000110.5A43 L48 V51 A75 R80 D81 Y86 L87A43-V83 HydrophobicContact CB-CG1 4.08Å; L48-V83 HydrophobicContact CB-CG2 4.2Å; V51-V83 HydrophobicContact CG1-CG1 4.46Å; V51-V83 HydrophobicContact CG2-CG1 3.9Å; V51-V83 HydrophobicContact CG2-CG2 4.31Å; A75-V83 HydrophobicContact CB-CB 4.22Å; A75-V83 HydrophobicContact CB-CG1 3.92Å; R80-V83 HydrophobicContact CB-CB 4.3Å; R80-V83 PolarHBondContact O-N 3.41Å; R80-V83 VanDerWaalsContact O-N 3.17Å; D81-V83 VanDerWaalsContact C-N 3.33Å; D81-V83 PolarHBondContact O-N 3.05Å; V83-Y86 PolarHBondContact O-N 3.21Å; V83-L87 HydrophobicContact CG1-CD1 3.76Å; V83-L87 HydrophobicContact CG1-CG 4.19Å; V83-L87 WeakPolarHBondContact O-CB 3.47Å; V83-L87 WeakPolarHBondContact O-CG 3.3Å; V83-L87 PolarHBondContact O-N 3.12Å
84A98.5Very high96.6Very high0 Ų050.2 Ų50.20%026%0.262CS..Hα-helixtrans-60.1-49.2179.400000111.4L72 A75 V76 R80 D81 Y86 L87 I88 L117L72-A84 HydrophobicContact CD1-CB 4.03Å; A75-A84 HydrophobicContact CB-CB 4.02Å; V76-A84 HydrophobicContact CG2-CB 3.88Å; R80-A84 PolarHBondContact O-N 2.88Å; D81-A84 PolarHBondContact O-N 3.42Å; A84-Y86 VanDerWaalsContact C-N 3.35Å; A84-Y86 PolarHBondContact O-N 3.45Å; A84-L87 PolarHBondContact O-N 3.36Å; A84-I88 WeakPolarHBondContact O-CD1 3.42Å; A84-I88 VanDerWaalsContact O-CG1 3.24Å; A84-I88 WeakPolarHBondContact O-CG1 3.44Å; A84-I88 PolarHBondContact O-N 3.5Å; A84-L117 HydrophobicContact CB-CD1 4.01Å; A84-L117 HydrophobicContact CB-CD2 3.74Å
85S98.4Very high96.6Very high24 Ų2449.8 Ų49.817%0.16826%0.26CS..Hα-helixtrans-57.5-46.8175.8-62.90000111.4D81 L87 I88 E89 L117 Q120D81-S85 WeakPolarHBondContact O-CB 3.36Å; D81-S85 PolarHBondContact O-N 2.91Å; D81-S85 PolarHBondContact O-OG 3.2Å; D81-S85 VanDerWaalsContact O-OG 3.06Å; S85-L87 VanDerWaalsContact C-N 3.35Å; S85-L87 PolarHBondContact O-N 3.39Å; S85-I88 PolarHBondContact O-N 3.35Å; S85-E89 WeakPolarHBondContact O-CG 3.38Å; S85-E89 PolarHBondContact O-N 3.08Å; S85-E89 VanDerWaalsContact O-N 3.07Å; S85-L117 WeakPolarHBondContact OG-CD2 3.3Å; S85-Q120 PolarHBondContact OG-OE1 2.92Å
86Y98.5Very high96.5Very high54 Ų5452.1 Ų52.121%0.21227%0.273CS..Hα-helixtrans-60.9-42178.4176.8-97.6000112.9L48 V51 K52 L55 N82 V83 A84 E89 Q90L48-Y86 VanDerWaalsContact CD1-CB 3.49Å; L48-Y86 HydrophobicContact CD1-CD1 3.73Å; L48-Y86 HydrophobicContact CD1-CD2 4.02Å; L48-Y86 HydrophobicContact CD1-CG 3.45Å; L48-Y86 VanDerWaalsContact CD1-CG 3.45Å; V51-Y86 HydrophobicContact CG1-CD1 4.13Å; V51-Y86 HydrophobicContact CG1-CE1 4.22Å; K52-Y86 HydrophobicContact CD-CE2 4.44Å; K52-Y86 HydrophobicContact CG-CE1 3.93Å; K52-Y86 HydrophobicContact CG-CE2 4.05Å; L55-Y86 HydrophobicContact CD1-CE1 3.83Å; N82-Y86 WeakPolarHBondContact O-CB 3.46Å; N82-Y86 PolarHBondContact O-N 3.35Å; V83-Y86 PolarHBondContact O-N 3.21Å; A84-Y86 VanDerWaalsContact C-N 3.35Å; A84-Y86 PolarHBondContact O-N 3.45Å; Y86-E89 PolarHBondContact O-N 3.44Å; Y86-Q90 HydrophobicContact CE1-CG 4.36Å; Y86-Q90 VanDerWaalsContact CE2-NE2 3.33Å; Y86-Q90 WeakPolarHBondContact O-CG 3.48Å; Y86-Q90 PolarHBondContact O-N 3.28Å; Y86-Q90 PolarHBondContact O-NE2 3.21Å; Y86-Q90 PolarHBondContact OH-OE1 2.94Å
87L98.2Very high96.5Very high5 Ų552.5 Ų52.53%0.02628%0.275CS..Hα-helixtrans-67.1-38.8178.4-72.8173.5000112.1V51 L55 P71 L72 V83 A84 S85 E89 Q90 A93V51-L87 HydrophobicContact CG1-CD2 4.04Å; L55-L87 HydrophobicContact CD1-CD2 4.15Å; P71-L87 HydrophobicContact CB-CD1 4.17Å; L72-L87 HydrophobicContact CB-CB 4.42Å; L72-L87 HydrophobicContact CB-CD1 4.19Å; L72-L87 HydrophobicContact CD1-CB 4.1Å; V83-L87 HydrophobicContact CG1-CD1 3.76Å; V83-L87 HydrophobicContact CG1-CG 4.19Å; V83-L87 WeakPolarHBondContact O-CB 3.47Å; V83-L87 WeakPolarHBondContact O-CG 3.3Å; V83-L87 PolarHBondContact O-N 3.12Å; A84-L87 PolarHBondContact O-N 3.36Å; S85-L87 VanDerWaalsContact C-N 3.35Å; S85-L87 PolarHBondContact O-N 3.39Å; L87-E89 VanDerWaalsContact C-N 3.31Å; L87-E89 PolarHBondContact O-N 2.99Å; L87-Q90 PolarHBondContact O-N 3.22Å; L87-A93 WeakPolarHBondContact O-CB 3.31Å
88I97.9Very high96.5Very high14 Ų1453.3 Ų53.37%0.07228%0.278CS..Hα-helixtrans-63.2-38.8175.6-67.8161.3000111.1L72 A84 S85 Q90 V95 L117 Q120 L121 A124L72-I88 HydrophobicContact CD1-CD1 4.16Å; L72-I88 HydrophobicContact CD1-CG1 3.75Å; L72-I88 HydrophobicContact CD2-CG1 3.98Å; A84-I88 WeakPolarHBondContact O-CD1 3.42Å; A84-I88 VanDerWaalsContact O-CG1 3.24Å; A84-I88 WeakPolarHBondContact O-CG1 3.44Å; A84-I88 PolarHBondContact O-N 3.5Å; S85-I88 PolarHBondContact O-N 3.35Å; I88-Q90 PolarHBondContact O-N 2.94Å; I88-V95 HydrophobicContact CG2-CG1 4.47Å; I88-L117 HydrophobicContact CD1-CD2 4.3Å; I88-Q120 HydrophobicContact CD1-CB 4.29Å; I88-Q120 HydrophobicContact CG2-CB 4.4Å; I88-L121 HydrophobicContact CD1-CD2 3.7Å; I88-L121 HydrophobicContact CD1-CG 3.78Å; I88-L121 HydrophobicContact CG1-CD2 3.85Å; I88-L121 HydrophobicContact CG1-CG 4.46Å; I88-A124 HydrophobicContact CG2-CB 3.73Å
89E97Very high96.6Very high130 Ų13051.9 Ų51.961%0.60727%0.265SS*.THydrogen-bonded Turntrans-76.8-6-178-70.8167.4-170.800113.6S85 Y86 L87 Q120S85-E89 WeakPolarHBondContact O-CG 3.38Å; S85-E89 PolarHBondContact O-N 3.08Å; S85-E89 VanDerWaalsContact O-N 3.07Å; Y86-E89 PolarHBondContact O-N 3.44Å; L87-E89 VanDerWaalsContact C-N 3.31Å; L87-E89 PolarHBondContact O-N 2.99Å; E89-Q120 PolarHBondContact OE1-NE2 3.49Å
90Q96Very high96.6Very high53 Ų5352.6 Ų52.625%0.24827%0.266CS..SBendtrans-70.8136.5175.7-61.7-52.6-76.400111.4L55 K61 Y86 L87 I88 H92 A93L55-Q90 HydrophobicContact CD1-CG 4.3Å; K61-Q90 HydrophobicContact CD-CB 4.05Å; Y86-Q90 HydrophobicContact CE1-CG 4.36Å; Y86-Q90 VanDerWaalsContact CE2-NE2 3.33Å; Y86-Q90 WeakPolarHBondContact O-CG 3.48Å; Y86-Q90 PolarHBondContact O-N 3.28Å; Y86-Q90 PolarHBondContact O-NE2 3.21Å; Y86-Q90 PolarHBondContact OH-OE1 2.94Å; L87-Q90 PolarHBondContact O-N 3.22Å; I88-Q90 PolarHBondContact O-N 2.94Å; Q90-H92 PolarHBondContact O-N 3.41Å; Q90-A93 WeakPolarHBondContact O-CB 3.39Å; Q90-A93 PolarHBondContact O-N 3.36Å; Q90-A93 VanDerWaalsContact O-N 3.11Å
91E91.2Very high96.6Very high154 Ų15451.2 Ų51.272%0.7227%0.267SS*.THydrogen-bonded Turntrans-55.1127178.2-169.1-177.6-168.500111.7K61K61-E91 PolarHBondContact NZ-O 3.01Å
92H88.5Confident96.6Very high158 Ų15848.4 Ų48.473%0.73125%0.254SS*.THydrogen-bonded Turntrans65.629.8-176.5-44-59000115.4K61 Q90 D94K61-H92 PolarHBondContact NZ-O 2.87Å; K61-H92 VanDerWaalsContact NZ-O 3.07Å; Q90-H92 PolarHBondContact O-N 3.41Å; H92-D94 PolarHBondContact O-N 3.25Å
93A90.5Very high96.6Very high22 Ų2246 Ų4618%0.18224%0.24CC..  trans-68.9126.6175.400000110.4K61 L87 Q90 V95K61-A93 VanDerWaalsContact NZ-CA 3.27Å; L87-A93 WeakPolarHBondContact O-CB 3.31Å; Q90-A93 WeakPolarHBondContact O-CB 3.39Å; Q90-A93 PolarHBondContact O-N 3.36Å; Q90-A93 VanDerWaalsContact O-N 3.11Å; A93-V95 PolarHBondContact O-N 3.36Å; A93-V95 VanDerWaalsContact O-N 3.14Å
94D95.6Very high96.5Very high74 Ų7446.2 Ų46.240%0.39624%0.241SC..  trans-81.393.6174.5-1731.5000110.7D62 H92 N96 V97D62-D94 PolarHBondContact OD2-N 3.4Å; H92-D94 PolarHBondContact O-N 3.25Å; D94-N96 PolarHBondContact O-N 3.02Å; D94-N96 WeakPolarHBondContact OD1-CB 3.33Å; D94-N96 PolarHBondContact OD1-N 2.98Å; D94-V97 HydrophobicContact CB-CG2 4Å; D94-V97 WeakPolarHBondContact OD2-CG2 3.19Å
95V97Very high96.5Very high6 Ų646.3 Ų46.34%0.03624%0.242CC..THydrogen-bonded Turntrans-78.1-2.8177.5-61.70000113.8L72 I88 A93 L121 A124 A126L72-V95 HydrophobicContact CD2-CG1 4.27Å; I88-V95 HydrophobicContact CG2-CG1 4.47Å; A93-V95 PolarHBondContact O-N 3.36Å; A93-V95 VanDerWaalsContact O-N 3.14Å; V95-L121 HydrophobicContact CB-CD2 3.94Å; V95-L121 HydrophobicContact CG1-CD2 3.96Å; V95-A124 HydrophobicContact CG1-CB 4.04Å; V95-A124 HydrophobicContact CG2-CB 4.31Å; V95-A126 HydrophobicContact CB-CB 4.37Å; V95-A126 HydrophobicContact CG2-CB 3.92Å
96N97.3Very high96.5Very high48 Ų4845.3 Ų45.326%0.25724%0.235SC..THydrogen-bonded Turntrans-105.57.3-174.1-74.2-58.8000114.1D94 G125 A126 K127D94-N96 PolarHBondContact O-N 3.02Å; D94-N96 WeakPolarHBondContact OD1-CB 3.33Å; D94-N96 PolarHBondContact OD1-N 2.98Å; N96-G125 PolarHBondContact ND2-O 3.01Å; N96-A126 WeakPolarHBondContact OD1-CA 3.5Å; N96-K127 WeakPolarHBondContact OD1-CG 3.21Å; N96-K127 PolarHBondContact OD1-N 2.84Å
97V97.2Very high96.5Very high9 Ų942.9 Ų42.96%0.05523%0.225CC..  trans-58.2145.2174.4-177.60000110.4K64 T70 M73 D94 C104K64-V97 HydrophobicContact CD-CG1 4.46Å; T70-V97 HydrophobicContact CG2-CB 4.07Å; T70-V97 HydrophobicContact CG2-CG1 3.75Å; T70-V97 HydrophobicContact CG2-CG2 4.13Å; M73-V97 HydrophobicContact CE-CB 3.81Å; M73-V97 HydrophobicContact CE-CG1 3.75Å; M73-V97 WeakPolarHBondContact CE-O 3.25Å; D94-V97 HydrophobicContact CB-CG2 4Å; D94-V97 WeakPolarHBondContact OD2-CG2 3.19Å; V97-C104 WeakPolarHBondContact O-CA 3.02Å; V97-C104 WeakPolarHBondContact O-CB 3.03Å
98V97.9Very high96.5Very high57 Ų5743.5 Ų43.535%0.34523%0.227SC..  trans-118.9141.4170.1-64.70000110.6Q103 C104 V130V98-Q103 WeakPolarHBondContact CA-O 3.29Å; V98-C104 HydrophobicContact CG1-CB 4.19Å; V98-V130 HydrophobicContact CG1-CG1 3.61Å
99N98Very high96.6Very high6 Ų642.8 Ų42.83%0.03222%0.224CC..  trans-77-177.3174.874.4-2.9000111.3W69 M73 T101 G102 Q103 Y108W69-N99 HydrophobicContact CG-CB 4.5Å; M73-N99 HydrophobicContact SD-CB 4.11Å; N99-T101 PolarHBondContact ND2-OG1 3.47Å; N99-T101 PolarHBondContact O-N 3.16Å; N99-T101 VanDerWaalsContact O-N 3.1Å; N99-T101 WeakPolarHBondContact OD1-CA 3.33Å; N99-T101 PolarHBondContact OD1-N 2.94Å; N99-T101 PolarHBondContact OD1-OG1 3.27Å; N99-G102 PolarHBondContact O-N 3.44Å; N99-G102 PolarHBondContact OD1-N 3.1Å; N99-Q103 PolarHBondContact N-O 2.84Å; N99-Q103 PolarHBondContact OD1-N 3.35Å; N99-Q103 PolarHBondContact OD1-O 3.44Å; N99-Y108 PolarHBondContact ND2-OH 2.9Å
100S97.8Very high96.6Very high48 Ų4836.6 Ų36.634%0.33620%0.195SC..THydrogen-bonded Turntrans-59.8-18.2178.553.90000114.7S67 W133S67-S100 WeakPolarHBondContact O-CB 3.4Å; S67-S100 PolarHBondContact O-N 3.07Å; S67-S100 PolarHBondContact O-OG 2.85Å; S67-S100 VanDerWaalsContact O-OG 3.13Å; S100-W133 WeakPolarHBondContact O-CZ2 3.23Å; S100-W133 PolarHBondContact O-NE1 2.9Å; S100-W133 VanDerWaalsContact O-NE1 3.09Å
101T97.6Very high96.7Very high62 Ų6236.1 Ų36.138%0.3820%0.197SC..THydrogen-bonded Turntrans-98.78.1174.762.60000112.9N99 Q103 D132 W133N99-T101 PolarHBondContact ND2-OG1 3.47Å; N99-T101 PolarHBondContact O-N 3.16Å; N99-T101 VanDerWaalsContact O-N 3.1Å; N99-T101 WeakPolarHBondContact OD1-CA 3.33Å; N99-T101 PolarHBondContact OD1-N 2.94Å; N99-T101 PolarHBondContact OD1-OG1 3.27Å; T101-Q103 VanDerWaalsContact C-N 3.31Å; T101-Q103 PolarHBondContact O-N 3.12Å; T101-Q103 PolarHBondContact OG1-OE1 3.46Å; T101-D132 WeakPolarHBondContact O-CB 3.4Å; T101-W133 PolarHBondContact O-N 2.87Å
102G98Very high96.9Very high7 Ų734.7 Ų34.77%0.07219%0.189CC..SBendtrans78.18.9-179.600000114.7N99N99-G102 PolarHBondContact O-N 3.44Å; N99-G102 PolarHBondContact OD1-N 3.1Å
103Q98.4Very high97.4Very high36 Ų3631.1 Ų31.117%0.16818%0.175CC..  trans-87.6131.8-177.3-65.4-178.9-43.200111.3V98 N99 T101 H107 Y108 D132V98-Q103 WeakPolarHBondContact CA-O 3.29Å; N99-Q103 PolarHBondContact N-O 2.84Å; N99-Q103 PolarHBondContact OD1-N 3.35Å; N99-Q103 PolarHBondContact OD1-O 3.44Å; T101-Q103 VanDerWaalsContact C-N 3.31Å; T101-Q103 PolarHBondContact O-N 3.12Å; T101-Q103 PolarHBondContact OG1-OE1 3.46Å; Q103-H107 HydrophobicContact CB-CB 4.24Å; Q103-H107 HydrophobicContact CG-CB 4.44Å; Q103-Y108 HydrophobicContact CB-CE2 3.9Å; Q103-Y108 PolarHBondContact OE1-OH 2.94Å; Q103-D132 HydrophobicContact CG-CB 3.66Å
104C98Very high97.7Very high3 Ų331.6 Ų31.62%0.0217%0.172CC..  trans-98.2172.7169.671.30000112.1V97 V98 L106 H107 Y108 V130V97-C104 WeakPolarHBondContact O-CA 3.02Å; V97-C104 WeakPolarHBondContact O-CB 3.03Å; V98-C104 HydrophobicContact CG1-CB 4.19Å; C104-L106 PolarHBondContact O-N 2.73Å; C104-L106 VanDerWaalsContact O-N 3.16Å; C104-H107 PolarHBondContact N-ND1 2.91Å; C104-H107 WeakPolarHBondContact O-CB 3.44Å; C104-H107 PolarHBondContact O-N 3.12Å; C104-H107 PolarHBondContact SG-ND1 3.28Å; C104-Y108 VanDerWaalsContact O-CD2 3.29Å; C104-Y108 WeakPolarHBondContact O-CD2 3.39Å; C104-V130 HydrophobicContact CB-CB 4.48Å; C104-V130 HydrophobicContact CB-CG1 4.14Å; C104-V130 HydrophobicContact CB-CG2 4.49Å
105C98.2Very high97.8Very high3 Ų330.7 Ų30.72%0.0217%0.17CC..Hα-helixtrans-52.7-36.4178.1-67.70000113.9M73 V76 H107 Y108 C109 L121M73-C105 VanDerWaalsContact CG-SG 3.59Å; V76-C105 HydrophobicContact CG2-CB 4.46Å; C105-H107 VanDerWaalsContact C-N 3.3Å; C105-H107 PolarHBondContact O-N 2.96Å; C105-Y108 PolarHBondContact O-N 3.36Å; C105-Y108 VanDerWaalsContact O-N 3.1Å; C105-C109 PolarHBondContact O-N 3.42Å; C105-L121 HydrophobicContact CB-CD1 3.57Å; C105-L121 HydrophobicContact CB-CD2 3.97Å; C105-L121 HydrophobicContact CB-CG 4.45Å
106L98.5Very high97.8Very high3 Ų336.2 Ų36.22%0.01620%0.196CC..Hα-helixtrans-63.8-31.3179.1-70.8175.6000113C104 Y108 C109 A110 A118 L121 L122 A126 P128 P138 L154C104-L106 PolarHBondContact O-N 2.73Å; C104-L106 VanDerWaalsContact O-N 3.16Å; L106-Y108 VanDerWaalsContact C-N 3.31Å; L106-Y108 PolarHBondContact O-N 2.92Å; L106-C109 PolarHBondContact O-N 3.1Å; L106-A110 WeakPolarHBondContact O-CB 3.07Å; L106-A110 PolarHBondContact O-N 3.46Å; L106-A118 HydrophobicContact CD2-CB 4.26Å; L106-L121 HydrophobicContact CD2-CB 3.85Å; L106-L121 HydrophobicContact CD2-CD1 3.99Å; L106-L121 HydrophobicContact CG-CB 4.46Å; L106-L121 HydrophobicContact CG-CD1 4.44Å; L106-L122 HydrophobicContact CD1-CD2 3.79Å; L106-L122 HydrophobicContact CD2-CD2 4.33Å; L106-L122 HydrophobicContact CD2-CG 4.22Å; L106-A126 HydrophobicContact CD1-CB 3.8Å; L106-A126 HydrophobicContact CG-CB 4.13Å; L106-P128 HydrophobicContact CD1-CB 4.49Å; L106-P138 HydrophobicContact CB-CB 3.84Å; L106-P138 HydrophobicContact CB-CG 3.56Å; L106-L154 HydrophobicContact CD1-CD2 4.3Å
107H98.7Very high97.9Very high2 Ų234 Ų341%0.00918%0.184CC..Hα-helixtrans-63-39.8173.3-69.585000111.7Q103 C104 C105 S111 V130 V136Q103-H107 HydrophobicContact CB-CB 4.24Å; Q103-H107 HydrophobicContact CG-CB 4.44Å; C104-H107 PolarHBondContact N-ND1 2.91Å; C104-H107 WeakPolarHBondContact O-CB 3.44Å; C104-H107 PolarHBondContact O-N 3.12Å; C104-H107 PolarHBondContact SG-ND1 3.28Å; C105-H107 VanDerWaalsContact C-N 3.3Å; C105-H107 PolarHBondContact O-N 2.96Å; H107-S111 WeakPolarHBondContact O-CB 3.49Å; H107-S111 PolarHBondContact O-N 3.16Å; H107-S111 PolarHBondContact O-OG 3.34Å; H107-V130 PolarHBondContact CE1-O 3.37Å; H107-V130 PolarHBondContact NE2-O 3.43Å; H107-V136 PolarHBondContact NE2-O 3.25Å
108Y98.2Very high97.9Very high18 Ų1833.6 Ų33.67%0.07118%0.181CC..Hα-helixtrans-72.5-41.2178-63.3-74.9000111.5W69 N99 Q103 C104 C105 L106 A110 S111 K112W69-Y108 HydrophobicContact CH2-CD1 4.3Å; W69-Y108 AromaticContact CH2-CE1 3.41Å; W69-Y108 HydrophobicContact CH2-CE1 3.41Å; W69-Y108 VanDerWaalsContact CH2-CE1 3.41Å; W69-Y108 AromaticContact CH2-CE2 3.96Å; W69-Y108 HydrophobicContact CH2-CE2 3.96Å; W69-Y108 AromaticContact CH2-CZ 3.2Å; W69-Y108 WeakPolarHBondContact CH2-OH 3.49Å; W69-Y108 HydrophobicContact CZ2-CE1 4.17Å; W69-Y108 AromaticContact CZ2-CZ 3.73Å; W69-Y108 WeakPolarHBondContact CZ2-OH 3.12Å; W69-Y108 HydrophobicContact CZ3-CE1 4.17Å; W69-Y108 HydrophobicContact CZ3-CE2 4.17Å; W69-Y108 AromaticContact CZ3-CZ 3.86Å; N99-Y108 PolarHBondContact ND2-OH 2.9Å; Q103-Y108 HydrophobicContact CB-CE2 3.9Å; Q103-Y108 PolarHBondContact OE1-OH 2.94Å; C104-Y108 VanDerWaalsContact O-CD2 3.29Å; C104-Y108 WeakPolarHBondContact O-CD2 3.39Å; C105-Y108 PolarHBondContact O-N 3.36Å; C105-Y108 VanDerWaalsContact O-N 3.1Å; L106-Y108 VanDerWaalsContact C-N 3.31Å; L106-Y108 PolarHBondContact O-N 2.92Å; Y108-A110 VanDerWaalsContact C-N 3.31Å; Y108-A110 PolarHBondContact O-N 3.01Å; Y108-S111 PolarHBondContact O-N 3.21Å; Y108-S111 PolarHBondContact O-OG 2.92Å; Y108-K112 VanDerWaalsContact O-CB 3.23Å; Y108-K112 WeakPolarHBondContact O-CB 2.86Å; Y108-K112 WeakPolarHBondContact O-CG 3.3Å; Y108-K112 PolarHBondContact O-N 3.42Å
109C98.4Very high97.9Very high0 Ų035.7 Ų35.70%019%0.186CC..Hα-helixtrans-58.6-45.6172.5-72.40000111.7V76 C105 L106 N113 R114 A118 I150V76-C109 VanDerWaalsContact CG1-SG 3.6Å; C105-C109 PolarHBondContact O-N 3.42Å; L106-C109 PolarHBondContact O-N 3.1Å; C109-N113 PolarHBondContact O-N 2.98Å; C109-N113 VanDerWaalsContact O-N 3.12Å; C109-R114 HydrophobicContact CB-CB 4.14Å; C109-R114 PolarHBondContact O-N 2.96Å; C109-A118 HydrophobicContact CB-CB 3.94Å; C109-I150 WeakPolarHBondContact O-CD1 3.45Å
110A98.4Very high97.9Very high0 Ų037 Ų370%019%0.192CC..Hα-helixtrans-62.1-42.1178.500000113L106 Y108 P138 R141 A142 T145 N147 I150L106-A110 WeakPolarHBondContact O-CB 3.07Å; L106-A110 PolarHBondContact O-N 3.46Å; Y108-A110 VanDerWaalsContact C-N 3.31Å; Y108-A110 PolarHBondContact O-N 3.01Å; A110-P138 HydrophobicContact CB-CB 4.43Å; A110-P138 WeakPolarHBondContact CB-O 3.49Å; A110-R141 HydrophobicContact CB-CB 3.96Å; A110-A142 HydrophobicContact CB-CB 3.94Å; A110-T145 PolarHBondContact O-OG1 2.77Å; A110-T145 VanDerWaalsContact O-OG1 3.07Å; A110-N147 PolarHBondContact O-ND2 3.12Å; A110-I150 HydrophobicContact CB-CG2 4.27Å
111S97Very high97.9Very high43 Ų4334.7 Ų34.730%0.30118%0.176SC..Hα-helixtrans-81.9-23.1-179.456.70000114.6H107 Y108H107-S111 WeakPolarHBondContact O-CB 3.49Å; H107-S111 PolarHBondContact O-N 3.16Å; H107-S111 PolarHBondContact O-OG 3.34Å; Y108-S111 PolarHBondContact O-N 3.21Å; Y108-S111 PolarHBondContact O-OG 2.92Å
112K96.8Very high98Very high123 Ų12332 Ų3254%0.53516%0.159SC..THydrogen-bonded Turntrans-105.29.9-177.8-59.1-61.8-173.7-177.40113.8Y108 R114Y108-K112 VanDerWaalsContact O-CB 3.23Å; Y108-K112 WeakPolarHBondContact O-CB 2.86Å; Y108-K112 WeakPolarHBondContact O-CG 3.3Å; Y108-K112 PolarHBondContact O-N 3.42Å; K112-R114 HydrophobicContact CB-CG 4.19Å
113N97.5Very high97.9Very high83 Ų8337.4 Ų37.444%0.44419%0.186SC..THydrogen-bonded Turntrans50.963.4-177.1-162.89.4000114.3C109 P115 N147C109-N113 PolarHBondContact O-N 2.98Å; C109-N113 VanDerWaalsContact O-N 3.12Å; N113-P115 VanDerWaalsContact O-CD 3.23Å; N113-P115 WeakPolarHBondContact O-CD 3.12Å; N113-N147 WeakPolarHBondContact CB-OD1 3.49Å; N113-N147 PolarHBondContact ND2-OD1 2.94Å
114R97.5Very high97.8Very high33 Ų3338 Ų3813%0.12520%0.197CC..  trans-116.168.8-179.1-60.4171.1159-93.8-54.5112.5V76 G79 D81 C109 K112 Q116 L117 A118 I150V76-R114 WeakPolarHBondContact O-CD 3.48Å; V76-R114 VanDerWaalsContact O-CZ 3.31Å; V76-R114 PolarHBondContact O-NE 3.14Å; V76-R114 VanDerWaalsContact O-NE 3.09Å; V76-R114 PolarHBondContact O-NH1 3.5Å; G79-R114 VanDerWaalsContact C-NH1 3.35Å; G79-R114 VanDerWaalsContact CA-NH1 3.35Å; G79-R114 PolarHBondContact O-NH2 2.82Å; D81-R114 IonicContact OD1-CZ 2.9Å; D81-R114 IonicContact OD1-NH1 2.73Å; D81-R114 PolarHBondContact OD1-NH1 2.96Å; D81-R114 IonicContact OD1-NH2 3.97Å; D81-R114 PolarHBondContact OD1-NH2 2.92Å; D81-R114 IonicContact OD2-NH2 3.03Å; C109-R114 HydrophobicContact CB-CB 4.14Å; C109-R114 PolarHBondContact O-N 2.96Å; K112-R114 HydrophobicContact CB-CG 4.19Å; R114-Q116 PolarHBondContact O-N 3.33Å; R114-L117 HydrophobicContact CB-CB 4.23Å; R114-L117 HydrophobicContact CB-CD1 4.28Å; R114-L117 PolarHBondContact O-N 3.37Å; R114-A118 WeakPolarHBondContact O-CB 3.28Å; R114-A118 PolarHBondContact O-N 2.94Å; R114-I150 VanDerWaalsContact N-CD1 3.32Å
115P97.6Very high97.7Very high55 Ų5539.9 Ų39.936%0.35722%0.218SC..Hα-helixtrans-63.4-38.2-172.324.2-34.1000113.6N113 A118 K119 I150N113-P115 VanDerWaalsContact O-CD 3.23Å; N113-P115 WeakPolarHBondContact O-CD 3.12Å; P115-A118 PolarHBondContact O-N 3.07Å; P115-K119 WeakPolarHBondContact O-CB 3.4Å; P115-K119 PolarHBondContact O-N 3.07Å; P115-I150 HydrophobicContact CB-CG1 4.03Å
116Q97.7Very high97.7Very high121 Ų12140 Ų4057%0.56522%0.219SC*.Hα-helixtrans-65.6-43.8179.4-175.159.128.600111.9R114 K119 Q120R114-Q116 PolarHBondContact O-N 3.33Å; Q116-K119 PolarHBondContact O-N 2.67Å; Q116-Q120 WeakPolarHBondContact O-CG 3.37Å; Q116-Q120 PolarHBondContact O-N 3.26Å
117L98.2Very high97.7Very high2 Ų245.6 Ų45.61%0.0124%0.243CC..Hα-helixtrans-67.5-39.3175.3-71.1175.4000111.8D81 A84 S85 I88 R114 K119 Q120 L121D81-L117 HydrophobicContact CB-CD1 4.29Å; A84-L117 HydrophobicContact CB-CD1 4.01Å; A84-L117 HydrophobicContact CB-CD2 3.74Å; S85-L117 WeakPolarHBondContact OG-CD2 3.3Å; I88-L117 HydrophobicContact CD1-CD2 4.3Å; R114-L117 HydrophobicContact CB-CB 4.23Å; R114-L117 HydrophobicContact CB-CD1 4.28Å; R114-L117 PolarHBondContact O-N 3.37Å; L117-K119 VanDerWaalsContact C-N 3.28Å; L117-K119 PolarHBondContact O-N 3.13Å; L117-Q120 PolarHBondContact O-N 3.13Å; L117-L121 WeakPolarHBondContact O-CB 3.48Å; L117-L121 VanDerWaalsContact O-CG 3.3Å; L117-L121 WeakPolarHBondContact O-CG 3.44Å; L117-L121 PolarHBondContact O-N 2.84Å
118A98.5Very high97.6Very high0 Ų046.3 Ų46.30%025%0.248CC..Hα-helixtrans-57.3-44.9173.800000110.8L106 C109 R114 P115 L121 L122 I150 L153L106-A118 HydrophobicContact CD2-CB 4.26Å; C109-A118 HydrophobicContact CB-CB 3.94Å; R114-A118 WeakPolarHBondContact O-CB 3.28Å; R114-A118 PolarHBondContact O-N 2.94Å; P115-A118 PolarHBondContact O-N 3.07Å; A118-L121 PolarHBondContact O-N 3.04Å; A118-L122 VanDerWaalsContact O-CG 3.28Å; A118-L122 WeakPolarHBondContact O-CG 3.48Å; A118-L122 PolarHBondContact O-N 3.09Å; A118-I150 HydrophobicContact CB-CG2 4.27Å; A118-L153 HydrophobicContact CB-CD2 3.56Å
119K98.1Very high97.6Very high102 Ų10249.7 Ų49.744%0.44327%0.267SS..Hα-helixtrans-63.1-43.4177.3-174.9174.6-179.3176.20112.1P115 Q116 L117 L122 N123 L153P115-K119 WeakPolarHBondContact O-CB 3.4Å; P115-K119 PolarHBondContact O-N 3.07Å; Q116-K119 PolarHBondContact O-N 2.67Å; L117-K119 VanDerWaalsContact C-N 3.28Å; L117-K119 PolarHBondContact O-N 3.13Å; K119-L122 PolarHBondContact O-N 3.14Å; K119-N123 WeakPolarHBondContact O-CB 3.48Å; K119-N123 PolarHBondContact O-N 3.48Å; K119-L153 HydrophobicContact CB-CD1 3.98Å; K119-L153 HydrophobicContact CB-CD2 4.1Å; K119-L153 HydrophobicContact CD-CD1 4.35Å; K119-L153 HydrophobicContact CG-CD1 4.14Å
120Q97.6Very high97.6Very high33 Ų3350.7 Ų50.715%0.15427%0.273CS..Hα-helixtrans-62.3-44.1175.7-73.4-177.2-63.400112S85 I88 E89 Q116 L117 N123 A124S85-Q120 PolarHBondContact OG-OE1 2.92Å; I88-Q120 HydrophobicContact CD1-CB 4.29Å; I88-Q120 HydrophobicContact CG2-CB 4.4Å; E89-Q120 PolarHBondContact OE1-NE2 3.49Å; Q116-Q120 WeakPolarHBondContact O-CG 3.37Å; Q116-Q120 PolarHBondContact O-N 3.26Å; L117-Q120 PolarHBondContact O-N 3.13Å; Q120-N123 PolarHBondContact O-N 3.09Å; Q120-A124 WeakPolarHBondContact O-CB 3.46Å; Q120-A124 PolarHBondContact O-N 3.23Å
121L98.1Very high97.6Very high0 Ų055.5 Ų55.50%029%0.294CS..Hα-helixtrans-60.6-47.1177-74.8165.7000111.7L72 I88 V95 C105 L106 L117 A118 N123 A124 G125 A126L72-L121 HydrophobicContact CD2-CD2 4.28Å; I88-L121 HydrophobicContact CD1-CD2 3.7Å; I88-L121 HydrophobicContact CD1-CG 3.78Å; I88-L121 HydrophobicContact CG1-CD2 3.85Å; I88-L121 HydrophobicContact CG1-CG 4.46Å; V95-L121 HydrophobicContact CB-CD2 3.94Å; V95-L121 HydrophobicContact CG1-CD2 3.96Å; C105-L121 HydrophobicContact CB-CD1 3.57Å; C105-L121 HydrophobicContact CB-CD2 3.97Å; C105-L121 HydrophobicContact CB-CG 4.45Å; L106-L121 HydrophobicContact CD2-CB 3.85Å; L106-L121 HydrophobicContact CD2-CD1 3.99Å; L106-L121 HydrophobicContact CG-CB 4.46Å; L106-L121 HydrophobicContact CG-CD1 4.44Å; L117-L121 WeakPolarHBondContact O-CB 3.48Å; L117-L121 VanDerWaalsContact O-CG 3.3Å; L117-L121 WeakPolarHBondContact O-CG 3.44Å; L117-L121 PolarHBondContact O-N 2.84Å; A118-L121 PolarHBondContact O-N 3.04Å; L121-N123 PolarHBondContact O-N 3.33Å; L121-A124 CarbonylContact O-C 3.54Å; L121-A124 WeakPolarHBondContact O-CA 3.47Å; L121-A124 PolarHBondContact O-N 2.83Å; L121-A124 VanDerWaalsContact O-N 3.1Å; L121-G125 PolarHBondContact O-N 2.99Å; L121-A126 VanDerWaalsContact C-CB 3.49Å; L121-A126 HydrophobicContact CB-CB 3.85Å; L121-A126 WeakPolarHBondContact O-CB 3.41Å; L121-A126 PolarHBondContact O-N 2.97Å
122L97.7Very high97.7Very high5 Ų554.1 Ų54.13%0.02628%0.283CS..Hα-helixtrans-61.2-44.6177.3-68.6170.3000111.4L106 A118 K119 A124 G125 P128 L153 L154 H157L106-L122 HydrophobicContact CD1-CD2 3.79Å; L106-L122 HydrophobicContact CD2-CD2 4.33Å; L106-L122 HydrophobicContact CD2-CG 4.22Å; A118-L122 VanDerWaalsContact O-CG 3.28Å; A118-L122 WeakPolarHBondContact O-CG 3.48Å; A118-L122 PolarHBondContact O-N 3.09Å; K119-L122 PolarHBondContact O-N 3.14Å; L122-A124 PolarHBondContact O-N 3.19Å; L122-G125 PolarHBondContact O-N 2.8Å; L122-P128 HydrophobicContact CD2-CB 4.07Å; L122-L153 HydrophobicContact CD1-CD2 3.6Å; L122-L153 HydrophobicContact CD1-CG 3.81Å; L122-L154 HydrophobicContact CD1-CD2 4.28Å; L122-L154 HydrophobicContact CD2-CD2 4.19Å; L122-H157 HydrophobicContact CD1-CB 4.03Å; L122-H157 HydrophobicContact CD2-CB 4.49Å
123N96.5Very high97.7Very high120 Ų12057 Ų5764%0.64229%0.291SS*.Hα-helixtrans-62.6-28174.8-71.4-8.6000113.1K119 Q120 L121 G125K119-N123 WeakPolarHBondContact O-CB 3.48Å; K119-N123 PolarHBondContact O-N 3.48Å; Q120-N123 PolarHBondContact O-N 3.09Å; L121-N123 PolarHBondContact O-N 3.33Å; N123-G125 VanDerWaalsContact C-N 3.26Å
124A96.8Very high97.7Very high48 Ų4854.3 Ų54.340%0.39728%0.283SS..THydrogen-bonded Turntrans-83.65.2174.300000113.4I88 V95 Q120 L121 L122I88-A124 HydrophobicContact CG2-CB 3.73Å; V95-A124 HydrophobicContact CG1-CB 4.04Å; V95-A124 HydrophobicContact CG2-CB 4.31Å; Q120-A124 WeakPolarHBondContact O-CB 3.46Å; Q120-A124 PolarHBondContact O-N 3.23Å; L121-A124 CarbonylContact O-C 3.54Å; L121-A124 WeakPolarHBondContact O-CA 3.47Å; L121-A124 PolarHBondContact O-N 2.83Å; L121-A124 VanDerWaalsContact O-N 3.1Å; L122-A124 PolarHBondContact O-N 3.19Å
125G96.5Very high97.7Very high44 Ų4453.1 Ų53.145%0.45428%0.28SS..THydrogen-bonded Turntrans87.122.9177.300000114.8N96 L121 L122 N123 K127N96-G125 PolarHBondContact ND2-O 3.01Å; L121-G125 PolarHBondContact O-N 2.99Å; L122-G125 PolarHBondContact O-N 2.8Å; N123-G125 VanDerWaalsContact C-N 3.26Å; G125-K127 PolarHBondContact O-N 2.87Å
126A97.8Very high97.8Very high5 Ų550.9 Ų50.94%0.04127%0.265CS..  trans-65.2132.1171.200000110.9V95 N96 L106 L121 P128V95-A126 HydrophobicContact CB-CB 4.37Å; V95-A126 HydrophobicContact CG2-CB 3.92Å; N96-A126 WeakPolarHBondContact OD1-CA 3.5Å; L106-A126 HydrophobicContact CD1-CB 3.8Å; L106-A126 HydrophobicContact CG-CB 4.13Å; L121-A126 VanDerWaalsContact C-CB 3.49Å; L121-A126 HydrophobicContact CB-CB 3.85Å; L121-A126 WeakPolarHBondContact O-CB 3.41Å; L121-A126 PolarHBondContact O-N 2.97Å; A126-P128 WeakPolarHBondContact O-CD 3.22Å
127K97.8Very high97.8Very high121 Ų12145.1 Ų45.153%0.52624%0.239SC..  trans-77.4117.7-180-68.6177.3-176.6179.80110.2N96 G125 D129 V130N96-K127 WeakPolarHBondContact OD1-CG 3.21Å; N96-K127 PolarHBondContact OD1-N 2.84Å; G125-K127 PolarHBondContact O-N 2.87Å; K127-D129 VanDerWaalsContact C-N 3.27Å; K127-D129 PolarHBondContact O-N 3.44Å; K127-V130 HydrophobicContact CB-CG2 3.85Å; K127-V130 WeakPolarHBondContact O-CG2 3.45Å
128P97.5Very high97.8Very high17 Ų1745 Ų4511%0.1124%0.238CC..THydrogen-bonded Turntrans-75.9-12.9-177.430.2-34.8000113.8L106 L122 A126 P138 L154 T158 L177L106-P128 HydrophobicContact CD1-CB 4.49Å; L122-P128 HydrophobicContact CD2-CB 4.07Å; A126-P128 WeakPolarHBondContact O-CD 3.22Å; P128-P138 WeakPolarHBondContact O-CD 3.38Å; P128-L154 HydrophobicContact CB-CD2 3.85Å; P128-T158 HydrophobicContact CB-CG2 4.31Å; P128-T158 HydrophobicContact CG-CG2 3.52Å; P128-L177 HydrophobicContact CB-CD2 4.29Å; P128-L177 WeakPolarHBondContact O-CD1 3.27Å
129D97.8Very high97.9Very high88 Ų8845 Ų4547%0.47124%0.238SC..THydrogen-bonded Turntrans-97.76.2-174.167.7-22.2000114.3K127 K131 L177 I180K127-D129 VanDerWaalsContact C-N 3.27Å; K127-D129 PolarHBondContact O-N 3.44Å; D129-K131 PolarHBondContact O-N 2.95Å; D129-L177 HydrophobicContact CB-CD1 4.1Å; D129-I180 HydrophobicContact CB-CD1 3.94Å
130V98.3Very high97.9Very high22 Ų2240.1 Ų40.113%0.13322%0.217CC..  trans-56.8129178.6177.60000109.8V98 C104 H107 K127 T137 P138V98-V130 HydrophobicContact CG1-CG1 3.61Å; C104-V130 HydrophobicContact CB-CB 4.48Å; C104-V130 HydrophobicContact CB-CG1 4.14Å; C104-V130 HydrophobicContact CB-CG2 4.49Å; H107-V130 PolarHBondContact CE1-O 3.37Å; H107-V130 PolarHBondContact NE2-O 3.43Å; K127-V130 HydrophobicContact CB-CG2 3.85Å; K127-V130 WeakPolarHBondContact O-CG2 3.45Å; V130-T137 WeakPolarHBondContact O-CA 3.27Å; V130-P138 VanDerWaalsContact O-CD 3.32Å; V130-P138 WeakPolarHBondContact O-CD 3.32Å
131K98.3Very high97.9Very high100 Ų10042.7 Ų42.744%0.43523%0.225SC..  trans-100.9130.4176.8-64.8-170.2-179.3-156.50111D129 V136 T137 I181D129-K131 PolarHBondContact O-N 2.95Å; K131-V136 WeakPolarHBondContact CA-O 3.47Å; K131-T137 HydrophobicContact CG-CG2 3.98Å; K131-I181 PolarHBondContact NZ-O 2.93Å
132D98.3Very high97.9Very high15 Ų1542.7 Ų42.78%0.0823%0.225CC..  trans-72.7-179.1166.678.513.2000111.7T101 Q103 G134 G135 V136 R141T101-D132 WeakPolarHBondContact O-CB 3.4Å; Q103-D132 HydrophobicContact CG-CB 3.66Å; D132-G134 PolarHBondContact O-N 3.46Å; D132-G134 VanDerWaalsContact O-N 3.13Å; D132-G134 VanDerWaalsContact OD1-CA 3.3Å; D132-G134 WeakPolarHBondContact OD1-CA 3.39Å; D132-G134 PolarHBondContact OD1-N 3.03Å; D132-G135 PolarHBondContact O-N 3.26Å; D132-G135 PolarHBondContact OD1-N 3.03Å; D132-V136 PolarHBondContact N-O 3.04Å; D132-V136 WeakPolarHBondContact OD1-CB 3.46Å; D132-V136 PolarHBondContact OD1-N 3.27Å; D132-V136 VanDerWaalsContact OD1-N 3.12Å; D132-R141 IonicContact OD2-CZ 3.44Å; D132-R141 IonicContact OD2-NE 2.77Å; D132-R141 IonicContact OD2-NH2 3.66Å; D132-R141 PolarHBondContact OD2-NH2 3.07Å
133W97.4Very high98Very high184 Ų18442.5 Ų42.570%0.69722%0.224SC*.THydrogen-bonded Turntrans-63.3-18.1-179.3-78.734.3000113.9S100 T101 G135 K183S100-W133 WeakPolarHBondContact O-CZ2 3.23Å; S100-W133 PolarHBondContact O-NE1 2.9Å; S100-W133 VanDerWaalsContact O-NE1 3.09Å; T101-W133 PolarHBondContact O-N 2.87Å; W133-G135 VanDerWaalsContact C-N 3.32Å; W133-K183 VanDerWaalsContact O-CD 3.25Å; W133-K183 WeakPolarHBondContact O-CD 3.44Å; W133-K183 WeakPolarHBondContact O-CE 3.46Å; W133-K183 PolarHBondContact O-NZ 2.83Å
134G98Very high98Very high26 Ų2638.4 Ų38.427%0.26821%0.207SC..THydrogen-bonded Turntrans-85.7-1.9171.600000113.2D132 V136 D182 K183D132-G134 PolarHBondContact O-N 3.46Å; D132-G134 VanDerWaalsContact O-N 3.13Å; D132-G134 VanDerWaalsContact OD1-CA 3.3Å; D132-G134 WeakPolarHBondContact OD1-CA 3.39Å; D132-G134 PolarHBondContact OD1-N 3.03Å; G134-V136 PolarHBondContact O-N 3.13Å; G134-D182 WeakPolarHBondContact O-CB 3.32Å; G134-K183 VanDerWaalsContact O-CB 3.28Å; G134-K183 WeakPolarHBondContact O-CB 3.47Å; G134-K183 WeakPolarHBondContact O-CG 3.21Å; G134-K183 PolarHBondContact O-N 3.38Å
135G98.1Very high98Very high7 Ų738.8 Ų38.87%0.07220%0.204CC..SBendtrans79.30.6-170.300000113.4D132 W133D132-G135 PolarHBondContact O-N 3.26Å; D132-G135 PolarHBondContact OD1-N 3.03Å; W133-G135 VanDerWaalsContact C-N 3.32Å
136V98.5Very high98.1Very high8 Ų842.3 Ų42.35%0.04821%0.209CC..  trans-75.3135.3-174.9-174.90000108.8H107 K131 D132 G134 H140 R141 D182H107-V136 PolarHBondContact NE2-O 3.25Å; K131-V136 WeakPolarHBondContact CA-O 3.47Å; D132-V136 PolarHBondContact N-O 3.04Å; D132-V136 WeakPolarHBondContact OD1-CB 3.46Å; D132-V136 PolarHBondContact OD1-N 3.27Å; D132-V136 VanDerWaalsContact OD1-N 3.12Å; G134-V136 PolarHBondContact O-N 3.13Å; V136-H140 HydrophobicContact CG1-CB 3.43Å; V136-H140 VanDerWaalsContact CG1-CB 3.43Å; V136-R141 HydrophobicContact CG1-CG 3.95Å; V136-D182 HydrophobicContact CG2-CB 4.17Å
137T98.6Very high98.1Very high0 Ų043 Ų430%021%0.212CC..  trans-101.6169.117767.60000111.6V130 K131 L139 H140 R141 I180V130-T137 WeakPolarHBondContact O-CA 3.27Å; K131-T137 HydrophobicContact CG-CG2 3.98Å; T137-L139 PolarHBondContact O-N 2.84Å; T137-L139 PolarHBondContact OG1-N 3.42Å; T137-H140 PolarHBondContact N-ND1 2.99Å; T137-H140 VanDerWaalsContact N-ND1 3.19Å; T137-H140 WeakPolarHBondContact O-CB 3.36Å; T137-H140 PolarHBondContact O-N 3.35Å; T137-H140 PolarHBondContact OG1-N 2.88Å; T137-H140 PolarHBondContact OG1-ND1 3.23Å; T137-R141 PolarHBondContact O-N 3.26Å; T137-R141 VanDerWaalsContact O-N 3.12Å; T137-I180 HydrophobicContact CG2-CB 4.39Å; T137-I180 HydrophobicContact CG2-CD1 4.38Å; T137-I180 HydrophobicContact CG2-CG2 3.68Å
138P98.6Very high98.1Very high0 Ų039 Ų390%020%0.196CC..Hα-helixtrans-52.4-35.3169.4-29.536.5000113.8L106 A110 P128 V130 R141 A142 L154L106-P138 HydrophobicContact CB-CB 3.84Å; L106-P138 HydrophobicContact CB-CG 3.56Å; A110-P138 HydrophobicContact CB-CB 4.43Å; A110-P138 WeakPolarHBondContact CB-O 3.49Å; P128-P138 WeakPolarHBondContact O-CD 3.38Å; V130-P138 VanDerWaalsContact O-CD 3.32Å; V130-P138 WeakPolarHBondContact O-CD 3.32Å; P138-R141 PolarHBondContact O-N 3.33Å; P138-A142 WeakPolarHBondContact O-CB 3.45Å; P138-A142 PolarHBondContact O-N 3.46Å; P138-L154 HydrophobicContact CB-CD1 3.78Å; P138-L154 HydrophobicContact CB-CD2 4.3Å
139L98.7Very high98.1Very high0 Ų043.8 Ų43.80%022%0.221CC..Hα-helixtrans-65.5-47.2177.3179.260.9000111.6T137 R141 A142 I143 A151 L154 L155 L177 P188 L204T137-L139 PolarHBondContact O-N 2.84Å; T137-L139 PolarHBondContact OG1-N 3.42Å; L139-R141 VanDerWaalsContact C-N 3.28Å; L139-R141 PolarHBondContact O-N 2.98Å; L139-A142 PolarHBondContact O-N 3.49Å; L139-A142 VanDerWaalsContact O-N 3.13Å; L139-I143 HydrophobicContact CD1-CD1 4.44Å; L139-I143 HydrophobicContact CD1-CG1 4.15Å; L139-I143 HydrophobicContact CG-CG1 4.47Å; L139-I143 WeakPolarHBondContact O-CG1 3.39Å; L139-I143 PolarHBondContact O-N 2.95Å; L139-A151 HydrophobicContact CD1-CB 3.73Å; L139-L154 HydrophobicContact CB-CD1 4.31Å; L139-L155 HydrophobicContact CD1-CD1 4.33Å; L139-L155 HydrophobicContact CD1-CD2 4.43Å; L139-L155 HydrophobicContact CD1-CG 4.13Å; L139-L155 HydrophobicContact CD2-CD2 3.69Å; L139-L155 HydrophobicContact CD2-CG 4.27Å; L139-L177 HydrophobicContact CB-CD2 3.71Å; L139-L177 HydrophobicContact CB-CG 3.96Å; L139-L177 HydrophobicContact CD2-CB 4.3Å; L139-L177 HydrophobicContact CD2-CD2 3.9Å; L139-L177 HydrophobicContact CD2-CG 3.73Å; L139-L177 HydrophobicContact CG-CD2 4.34Å; L139-L177 HydrophobicContact CG-CG 4.49Å; L139-P188 HydrophobicContact CD2-CB 4.11Å; L139-P188 HydrophobicContact CD2-CG 3.7Å; L139-P188 HydrophobicContact CG-CB 4.11Å; L139-P188 HydrophobicContact CG-CG 3.95Å; L139-L204 HydrophobicContact CD1-CD2 4.44Å; L139-L204 HydrophobicContact CD2-CD2 4.19Å
140H98.6Very high98.1Very high0 Ų039.7 Ų39.70%020%0.199CC..Hα-helixtrans-55.2-46174.6-6894.8000111.5V136 T137 A142 I143 A144 I180 Q186 P188 Y191V136-H140 HydrophobicContact CG1-CB 3.43Å; V136-H140 VanDerWaalsContact CG1-CB 3.43Å; T137-H140 PolarHBondContact N-ND1 2.99Å; T137-H140 VanDerWaalsContact N-ND1 3.19Å; T137-H140 WeakPolarHBondContact O-CB 3.36Å; T137-H140 PolarHBondContact O-N 3.35Å; T137-H140 PolarHBondContact OG1-N 2.88Å; T137-H140 PolarHBondContact OG1-ND1 3.23Å; H140-A142 PolarHBondContact O-N 2.78Å; H140-I143 PolarHBondContact O-N 3.43Å; H140-A144 WeakPolarHBondContact O-CB 3.33Å; H140-A144 PolarHBondContact O-N 3.24Å; H140-I180 PolarHBondContact CE1-O 3.39Å; H140-I180 PolarHBondContact NE2-O 2.5Å; H140-I180 VanDerWaalsContact NE2-O 3.14Å; H140-Q186 PolarHBondContact NE2-O 2.81Å; H140-P188 WeakPolarHBondContact NE2-CD 3.4Å; H140-Y191 HydrophobicContact CB-CE1 4.45Å; H140-Y191 AromaticContact CD2-CD2 3.69Å; H140-Y191 AromaticContact CD2-CE2 3.49Å; H140-Y191 VanDerWaalsContact CD2-CE2 3.49Å; H140-Y191 WeakPolarHBondContact CD2-CE2 3.32Å
141R98.1Very high98.1Very high87 Ų8738.6 Ų38.633%0.32819%0.192SC..Hα-helixtrans-61.8-42.2177.1-65.7-64.3-177.7-173.6-4.6112.1A110 D132 V136 T137 P138 L139 I143 A144 T145A110-R141 HydrophobicContact CB-CB 3.96Å; D132-R141 IonicContact OD2-CZ 3.44Å; D132-R141 IonicContact OD2-NE 2.77Å; D132-R141 IonicContact OD2-NH2 3.66Å; D132-R141 PolarHBondContact OD2-NH2 3.07Å; V136-R141 HydrophobicContact CG1-CG 3.95Å; T137-R141 PolarHBondContact O-N 3.26Å; T137-R141 VanDerWaalsContact O-N 3.12Å; P138-R141 PolarHBondContact O-N 3.33Å; L139-R141 VanDerWaalsContact C-N 3.28Å; L139-R141 PolarHBondContact O-N 2.98Å; R141-I143 VanDerWaalsContact C-N 3.33Å; R141-A144 PolarHBondContact O-N 3.39Å; R141-T145 WeakPolarHBondContact O-CB 3.45Å; R141-T145 WeakPolarHBondContact O-CG2 3.11Å; R141-T145 PolarHBondContact O-N 3.36Å; R141-T145 VanDerWaalsContact O-N 3.09Å; R141-T145 PolarHBondContact O-OG1 2.96Å
142A98.5Very high98.1Very high0 Ų038.8 Ų38.80%019%0.193CC..Hα-helixtrans-63.3-41.3178.800000111.2A110 P138 L139 H140 T145 E146 N147 I150 A151A110-A142 HydrophobicContact CB-CB 3.94Å; P138-A142 WeakPolarHBondContact O-CB 3.45Å; P138-A142 PolarHBondContact O-N 3.46Å; L139-A142 PolarHBondContact O-N 3.49Å; L139-A142 VanDerWaalsContact O-N 3.13Å; H140-A142 PolarHBondContact O-N 2.78Å; A142-T145 CarbonylContact O-C 3.58Å; A142-T145 PolarHBondContact O-N 3.16Å; A142-E146 PolarHBondContact O-N 3.49Å; A142-E146 VanDerWaalsContact O-N 3.09Å; A142-N147 PolarHBondContact O-N 2.92Å; A142-I150 HydrophobicContact CB-CB 4.39Å; A142-I150 HydrophobicContact CB-CG2 4.35Å; A142-A151 HydrophobicContact CB-CB 4.02Å
143I98.4Very high98.1Very high1 Ų140 Ų401%0.00520%0.199CC..Hα-helixtrans-67.2-48.9176.8-63.3-62.4000111.4L139 H140 R141 T145 E146 L148 A151 P188 A192 A200 L204L139-I143 HydrophobicContact CD1-CD1 4.44Å; L139-I143 HydrophobicContact CD1-CG1 4.15Å; L139-I143 HydrophobicContact CG-CG1 4.47Å; L139-I143 WeakPolarHBondContact O-CG1 3.39Å; L139-I143 PolarHBondContact O-N 2.95Å; H140-I143 PolarHBondContact O-N 3.43Å; R141-I143 VanDerWaalsContact C-N 3.33Å; I143-T145 PolarHBondContact O-N 2.87Å; I143-T145 VanDerWaalsContact O-N 3.14Å; I143-E146 PolarHBondContact O-N 3.09Å; I143-L148 HydrophobicContact CD1-CD2 4.32Å; I143-A151 HydrophobicContact CD1-CB 3.8Å; I143-A151 HydrophobicContact CG1-CB 4.5Å; I143-P188 HydrophobicContact CG1-CB 4.28Å; I143-A192 HydrophobicContact CG2-CB 3.72Å; I143-A200 HydrophobicContact CD1-CB 4.1Å; I143-A200 HydrophobicContact CG2-CB 4.23Å; I143-L204 HydrophobicContact CD1-CD1 3.96Å; I143-L204 HydrophobicContact CD1-CD2 4.2Å; I143-L204 HydrophobicContact CD1-CG 4.08Å; I143-L204 HydrophobicContact CG1-CD1 4.17Å; I143-L204 HydrophobicContact CG1-CD2 4.45Å
144A97.5Very high98.1Very high34 Ų3431.2 Ų31.228%0.28117%0.166SC..Hα-helixtrans-60.2-24.1178.800000113.7H140 R141 Y191H140-A144 WeakPolarHBondContact O-CB 3.33Å; H140-A144 PolarHBondContact O-N 3.24Å; R141-A144 PolarHBondContact O-N 3.39Å; A144-Y191 HydrophobicContact CB-CD1 3.85Å; A144-Y191 HydrophobicContact CB-CE1 4.37Å
145T97Very high98Very high55 Ų5530 Ų3034%0.33715%0.153SC..THydrogen-bonded Turntrans-108.811.6179.557.80000113A110 R141 A142 I143 N147A110-T145 PolarHBondContact O-OG1 2.77Å; A110-T145 VanDerWaalsContact O-OG1 3.07Å; R141-T145 WeakPolarHBondContact O-CB 3.45Å; R141-T145 WeakPolarHBondContact O-CG2 3.11Å; R141-T145 PolarHBondContact O-N 3.36Å; R141-T145 VanDerWaalsContact O-N 3.09Å; R141-T145 PolarHBondContact O-OG1 2.96Å; A142-T145 CarbonylContact O-C 3.58Å; A142-T145 PolarHBondContact O-N 3.16Å; I143-T145 PolarHBondContact O-N 2.87Å; I143-T145 VanDerWaalsContact O-N 3.14Å; T145-N147 PolarHBondContact O-N 2.89Å; T145-N147 VanDerWaalsContact O-N 3.13Å; T145-N147 PolarHBondContact OG1-ND2 3.35Å
146E97.3Very high97.9Very high119 Ų11933.1 Ų33.156%0.55617%0.168SC*.THydrogen-bonded Turntrans57.322.8178-50.8-174.7-162.500115.2A142 I143 L148 N197A142-E146 PolarHBondContact O-N 3.49Å; A142-E146 VanDerWaalsContact O-N 3.09Å; I143-E146 PolarHBondContact O-N 3.09Å; E146-L148 PolarHBondContact O-N 2.79Å; E146-N197 WeakPolarHBondContact CG-ND2 3.37Å
147N98.1Very high97.7Very high20 Ų2037 Ų3711%0.10719%0.186CC..  trans-84.366179.5-67.5-40.2000110.9A110 N113 A142 T145 D149 I150 A151A110-N147 PolarHBondContact O-ND2 3.12Å; N113-N147 WeakPolarHBondContact CB-OD1 3.49Å; N113-N147 PolarHBondContact ND2-OD1 2.94Å; A142-N147 PolarHBondContact O-N 2.92Å; T145-N147 PolarHBondContact O-N 2.89Å; T145-N147 VanDerWaalsContact O-N 3.13Å; T145-N147 PolarHBondContact OG1-ND2 3.35Å; N147-D149 VanDerWaalsContact C-N 3.28Å; N147-D149 PolarHBondContact O-N 3.1Å; N147-I150 HydrophobicContact CB-CD1 4.34Å; N147-I150 PolarHBondContact O-N 2.91Å; N147-A151 PolarHBondContact O-N 3.38Å
148L97.7Very high97.3Very high35 Ų3538.3 Ų38.318%0.18319%0.194CC..Hα-helixtrans-62.4-30-171.3-59.5-173.3000114.1I143 E146 I150 A151 K152 Q199 A200 L203I143-L148 HydrophobicContact CD1-CD2 4.32Å; E146-L148 PolarHBondContact O-N 2.79Å; L148-I150 VanDerWaalsContact C-N 3.27Å; L148-I150 PolarHBondContact O-N 3.34Å; L148-A151 PolarHBondContact O-N 3Å; L148-K152 VanDerWaalsContact O-CB 3.32Å; L148-K152 WeakPolarHBondContact O-CB 3.47Å; L148-K152 PolarHBondContact O-N 2.95Å; L148-Q199 HydrophobicContact CD1-CB 3.68Å; L148-A200 HydrophobicContact CD2-CB 3.75Å; L148-L203 HydrophobicContact CD2-CD2 4.41Å
149D98.1Very high96.9Very high119 Ų11939.7 Ų39.764%0.63620%0.202SC*.Hα-helixtrans-62.7-37.4174.6-71.1-24.4000111.5N147 L153N147-D149 VanDerWaalsContact C-N 3.28Å; N147-D149 PolarHBondContact O-N 3.1Å; D149-L153 VanDerWaalsContact O-CB 3.3Å; D149-L153 WeakPolarHBondContact O-CB 3.5Å; D149-L153 PolarHBondContact O-N 3.31Å
150I98.5Very high96.3Very high1 Ų142.9 Ų42.91%0.00522%0.222CC..Hα-helixtrans-76.7-40.6176.6-58.6-180000110.5C109 A110 R114 P115 A118 A142 N147 L148 K152 L153 L154C109-I150 WeakPolarHBondContact O-CD1 3.45Å; A110-I150 HydrophobicContact CB-CG2 4.27Å; R114-I150 VanDerWaalsContact N-CD1 3.32Å; P115-I150 HydrophobicContact CB-CG1 4.03Å; A118-I150 HydrophobicContact CB-CG2 4.27Å; A142-I150 HydrophobicContact CB-CB 4.39Å; A142-I150 HydrophobicContact CB-CG2 4.35Å; N147-I150 HydrophobicContact CB-CD1 4.34Å; N147-I150 PolarHBondContact O-N 2.91Å; L148-I150 VanDerWaalsContact C-N 3.27Å; L148-I150 PolarHBondContact O-N 3.34Å; I150-K152 VanDerWaalsContact C-N 3.29Å; I150-K152 PolarHBondContact O-N 3.19Å; I150-L153 WeakPolarHBondContact O-CB 3.33Å; I150-L153 PolarHBondContact O-N 3.12Å; I150-L154 HydrophobicContact CG2-CD1 4.01Å; I150-L154 HydrophobicContact CG2-CG 4.23Å; I150-L154 WeakPolarHBondContact O-CB 3.49Å; I150-L154 VanDerWaalsContact O-CG 3.27Å; I150-L154 WeakPolarHBondContact O-CG 3.43Å; I150-L154 PolarHBondContact O-N 3.17Å
151A98.4Very high95.3Very high0 Ų051.9 Ų51.90%026%0.264CS..Hα-helixtrans-56.2-47.8174.100000110.6L139 A142 I143 N147 L148 L154 L155 L203L139-A151 HydrophobicContact CD1-CB 3.73Å; A142-A151 HydrophobicContact CB-CB 4.02Å; I143-A151 HydrophobicContact CD1-CB 3.8Å; I143-A151 HydrophobicContact CG1-CB 4.5Å; N147-A151 PolarHBondContact O-N 3.38Å; L148-A151 PolarHBondContact O-N 3Å; A151-L154 PolarHBondContact O-N 3.48Å; A151-L155 WeakPolarHBondContact O-CB 3.39Å; A151-L155 WeakPolarHBondContact O-CD1 3.3Å; A151-L155 WeakPolarHBondContact O-CG 3.48Å; A151-L155 PolarHBondContact O-N 3.21Å; A151-L203 HydrophobicContact CB-CD2 3.92Å
152K97.6Very high94.5Very high103 Ų10356.5 Ų56.545%0.44829%0.289SS..Hα-helixtrans-61.2-46.4175.5-174.4176.9178.4-177.80111.9L148 I150 L154 L155 D156 L203L148-K152 VanDerWaalsContact O-CB 3.32Å; L148-K152 WeakPolarHBondContact O-CB 3.47Å; L148-K152 PolarHBondContact O-N 2.95Å; I150-K152 VanDerWaalsContact C-N 3.29Å; I150-K152 PolarHBondContact O-N 3.19Å; K152-L154 VanDerWaalsContact C-N 3.33Å; K152-L154 PolarHBondContact O-N 2.89Å; K152-L155 PolarHBondContact O-N 3.16Å; K152-D156 WeakPolarHBondContact O-CB 3.44Å; K152-D156 PolarHBondContact O-N 3.41Å; K152-L203 HydrophobicContact CB-CD1 4.28Å; K152-L203 HydrophobicContact CB-CD2 4.34Å; K152-L203 HydrophobicContact CG-CD1 4.38Å
153L97.5Very high93.7Very high40 Ų4057.6 Ų57.621%0.20930%0.295CS..Hα-helixtrans-56.7-44.6176.8-175.291000112.3A118 K119 L122 D149 I150 H157A118-L153 HydrophobicContact CB-CD2 3.56Å; K119-L153 HydrophobicContact CB-CD1 3.98Å; K119-L153 HydrophobicContact CB-CD2 4.1Å; K119-L153 HydrophobicContact CD-CD1 4.35Å; K119-L153 HydrophobicContact CG-CD1 4.14Å; L122-L153 HydrophobicContact CD1-CD2 3.6Å; L122-L153 HydrophobicContact CD1-CG 3.81Å; D149-L153 VanDerWaalsContact O-CB 3.3Å; D149-L153 WeakPolarHBondContact O-CB 3.5Å; D149-L153 PolarHBondContact O-N 3.31Å; I150-L153 WeakPolarHBondContact O-CB 3.33Å; I150-L153 PolarHBondContact O-N 3.12Å; L153-H157 WeakPolarHBondContact O-CB 3.32Å; L153-H157 PolarHBondContact O-N 3Å; L153-H157 VanDerWaalsContact O-N 3.07Å
154L98.1Very high92.8Very high1 Ų161 Ų611%0.00532%0.315CS..Hα-helixtrans-65.5-44.1178.4-70.1168.4000111.5L106 L122 P128 P138 L139 I150 A151 K152 H157 L177L106-L154 HydrophobicContact CD1-CD2 4.3Å; L122-L154 HydrophobicContact CD1-CD2 4.28Å; L122-L154 HydrophobicContact CD2-CD2 4.19Å; P128-L154 HydrophobicContact CB-CD2 3.85Å; P138-L154 HydrophobicContact CB-CD1 3.78Å; P138-L154 HydrophobicContact CB-CD2 4.3Å; L139-L154 HydrophobicContact CB-CD1 4.31Å; I150-L154 HydrophobicContact CG2-CD1 4.01Å; I150-L154 HydrophobicContact CG2-CG 4.23Å; I150-L154 WeakPolarHBondContact O-CB 3.49Å; I150-L154 VanDerWaalsContact O-CG 3.27Å; I150-L154 WeakPolarHBondContact O-CG 3.43Å; I150-L154 PolarHBondContact O-N 3.17Å; A151-L154 PolarHBondContact O-N 3.48Å; K152-L154 VanDerWaalsContact C-N 3.33Å; K152-L154 PolarHBondContact O-N 2.89Å; L154-H157 PolarHBondContact O-N 3.42Å; L154-L177 HydrophobicContact CB-CD2 3.84Å
155L97.1Very high91.7Very high0 Ų060.1 Ų60.10%031%0.31CS..Hα-helixtrans-63.3-51.9177.6-69.6165.9000110.8L139 A151 K152 H157 T158 V159 S175 V178 L203 L204 Y207L139-L155 HydrophobicContact CD1-CD1 4.33Å; L139-L155 HydrophobicContact CD1-CD2 4.43Å; L139-L155 HydrophobicContact CD1-CG 4.13Å; L139-L155 HydrophobicContact CD2-CD2 3.69Å; L139-L155 HydrophobicContact CD2-CG 4.27Å; A151-L155 WeakPolarHBondContact O-CB 3.39Å; A151-L155 WeakPolarHBondContact O-CD1 3.3Å; A151-L155 WeakPolarHBondContact O-CG 3.48Å; A151-L155 PolarHBondContact O-N 3.21Å; K152-L155 PolarHBondContact O-N 3.16Å; L155-H157 PolarHBondContact O-N 2.88Å; L155-T158 PolarHBondContact O-N 3.31Å; L155-T158 PolarHBondContact O-OG1 3.06Å; L155-V159 WeakPolarHBondContact O-CG2 3.38Å; L155-V159 PolarHBondContact O-N 3.37Å; L155-S175 WeakPolarHBondContact CD2-OG 3.45Å; L155-V178 HydrophobicContact CD2-CB 4.16Å; L155-V178 HydrophobicContact CD2-CG2 4.18Å; L155-L203 HydrophobicContact CD1-CD2 4.34Å; L155-L203 HydrophobicContact CD1-CG 4.12Å; L155-L204 HydrophobicContact CD1-CD2 4.28Å; L155-Y207 HydrophobicContact CB-CD1 3.56Å; L155-Y207 HydrophobicContact CB-CD2 4.31Å; L155-Y207 HydrophobicContact CB-CE1 3.59Å; L155-Y207 HydrophobicContact CB-CE2 4.37Å; L155-Y207 HydrophobicContact CB-CG 3.92Å; L155-Y207 HydrophobicContact CD1-CD1 4.4Å; L155-Y207 HydrophobicContact CD1-CD2 3.76Å; L155-Y207 HydrophobicContact CD1-CE2 4.17Å; L155-Y207 HydrophobicContact CD1-CG 3.87Å; L155-Y207 HydrophobicContact CD2-CD1 4.44Å; L155-Y207 HydrophobicContact CD2-CG 4.25Å; L155-Y207 HydrophobicContact CG-CD1 4.34Å; L155-Y207 HydrophobicContact CG-CG 4.23Å
156D94.8Very high90.3Very high72 Ų7263.3 Ų63.339%0.38533%0.325SS..Hα-helixtrans-54.4-39.3177.2-78.8-21.6000112.2K152 T158 V159 Y207K152-D156 WeakPolarHBondContact O-CB 3.44Å; K152-D156 PolarHBondContact O-N 3.41Å; D156-T158 PolarHBondContact O-N 3.37Å; D156-V159 PolarHBondContact O-N 2.96Å; D156-Y207 WeakPolarHBondContact OD1-CE1 3.29Å; D156-Y207 PolarHBondContact OD1-OH 3.31Å
157H94.3Very high88.9Confident90 Ų9062.4 Ų62.442%0.41732%0.321SS..THydrogen-bonded Turntrans-69.4-15.5-179.6-164.876.7000114L122 L153 L154 L155L122-H157 HydrophobicContact CD1-CB 4.03Å; L122-H157 HydrophobicContact CD2-CB 4.49Å; L153-H157 WeakPolarHBondContact O-CB 3.32Å; L153-H157 PolarHBondContact O-N 3Å; L153-H157 VanDerWaalsContact O-N 3.07Å; L154-H157 PolarHBondContact O-N 3.42Å; L155-H157 PolarHBondContact O-N 2.88Å
158T91.2Very high87.2Confident27 Ų2768.2 Ų68.217%0.16635%0.347CS..THydrogen-bonded Turntrans-106.7-6.2-178.859.50000114P128 L155 D156 S175 L177P128-T158 HydrophobicContact CB-CG2 4.31Å; P128-T158 HydrophobicContact CG-CG2 3.52Å; L155-T158 PolarHBondContact O-N 3.31Å; L155-T158 PolarHBondContact O-OG1 3.06Å; D156-T158 PolarHBondContact O-N 3.37Å; T158-S175 PolarHBondContact OG1-OG 2.67Å; T158-L177 HydrophobicContact CG2-CB 4.33Å
159V89.6Confident85.5Confident30 Ų3070.2 Ų70.218%0.18238%0.377CS..  trans-87.5125176.9171.30000108.6L155 D156 D163 L173 Y207L155-V159 WeakPolarHBondContact O-CG2 3.38Å; L155-V159 PolarHBondContact O-N 3.37Å; D156-V159 PolarHBondContact O-N 2.96Å; V159-D163 HydrophobicContact CG1-CB 4.1Å; V159-L173 HydrophobicContact CG1-CB 4.12Å; V159-L173 HydrophobicContact CG1-CD1 4.38Å; V159-L173 HydrophobicContact CG1-CD2 4.07Å; V159-L173 HydrophobicContact CG1-CG 4.41Å; V159-L173 HydrophobicContact CG2-CB 3.95Å; V159-Y207 HydrophobicContact CG2-CD1 3.84Å; V159-Y207 HydrophobicContact CG2-CE1 4.02Å
160T85.4Confident83.8Confident66 Ų6669.6 Ų69.641%0.40537%0.365SS..  trans-104.3172.5172.168.40000110.7E162 D163T160-E162 PolarHBondContact O-N 3.47Å; T160-D163 WeakPolarHBondContact CB-OD2 3.31Å; T160-D163 PolarHBondContact N-OD2 3.4Å; T160-D163 WeakPolarHBondContact O-CB 3.45Å; T160-D163 PolarHBondContact O-N 3.41Å; T160-D163 PolarHBondContact OG1-OD2 3.07Å
161E79.4Confident82.6Confident189 Ų18975.2 Ų75.288%0.88340%0.395SS*.G310 helixtrans-59.1-29.2176.9-63.6-174.1169.100112.5D163E161-D163 VanDerWaalsContact C-N 3.25Å; E161-D163 PolarHBondContact O-N 3.29Å
162E81.1Confident81.5Confident184 Ų18476 Ų7686%0.8640%0.4SS*.G310 helixtrans-72.2-19.6177.3-60.4-178.917500112.8T160 V164T160-E162 PolarHBondContact O-N 3.47Å; E162-V164 VanDerWaalsContact C-N 3.32Å
163D80.8Confident80.9Confident24 Ų2473.1 Ų73.113%0.12839%0.389CS..G310 helixtrans-90.55.4-176.5-60.4-52.8000112.5V159 T160 E161 G165 L173 F174V159-D163 HydrophobicContact CG1-CB 4.1Å; T160-D163 WeakPolarHBondContact CB-OD2 3.31Å; T160-D163 PolarHBondContact N-OD2 3.4Å; T160-D163 WeakPolarHBondContact O-CB 3.45Å; T160-D163 PolarHBondContact O-N 3.41Å; T160-D163 PolarHBondContact OG1-OD2 3.07Å; E161-D163 VanDerWaalsContact C-N 3.25Å; E161-D163 PolarHBondContact O-N 3.29Å; D163-G165 PolarHBondContact O-N 3.31Å; D163-L173 CarbonylContact O-C 3.57Å; D163-F174 HydrophobicContact CB-CB 4.25Å; D163-F174 VanDerWaalsContact CB-O 3.3Å; D163-F174 WeakPolarHBondContact CB-O 3.45Å; D163-F174 PolarHBondContact O-N 3.21Å
164V78.8Confident80.3Confident71 Ų7175 Ų7543%0.4340%0.396SS..EExtended strand (participates in β ladder)trans-91.2104.2178-173.60000109.6E162 L173E162-V164 VanDerWaalsContact C-N 3.32Å; V164-L173 HydrophobicContact CB-CD2 4.39Å; V164-L173 HydrophobicContact CG1-CD2 4.21Å; V164-L173 HydrophobicContact CG2-CD2 3.85Å
165G75.1Confident79.9Confident17 Ų1775.2 Ų75.218%0.17540%0.398CS..EExtended strand (participates in β ladder)trans-98.7151.2172.800000112.1D163 N171 V172D163-G165 PolarHBondContact O-N 3.31Å; G165-N171 CarbonylContact O-C 3.36Å; G165-N171 WeakPolarHBondContact O-CA 3.37Å; G165-V172 PolarHBondContact N-O 3Å; G165-V172 PolarHBondContact O-N 2.8Å; G165-V172 VanDerWaalsContact O-O 3.13Å
166N68.3Low79.6Confident122 Ų12282.9 Ų82.965%0.65243%0.431SS*.EExtended strand (participates in β ladder)trans-106.3100.4163.8-71.8-22.1000108.1R170 N171N166-R170 WeakPolarHBondContact CA-O 3.45Å; N166-N171 PolarHBondContact OD1-OD1 2.98Å
167E66.5Low79.6Confident100 Ų10079.5 Ų79.547%0.46741%0.413SS..EExtended strand (participates in β ladder)trans-102.3121.7171.7-65.5-166.9156.700108.6G169 R170 V172 F174E167-G169 PolarHBondContact O-N 3.05Å; E167-G169 VanDerWaalsContact O-N 3.08Å; E167-R170 PolarHBondContact N-O 3.32Å; E167-R170 PolarHBondContact O-N 3.1Å; E167-V172 HydrophobicContact CB-CG2 3.98Å; E167-V172 HydrophobicContact CG-CG2 4.37Å; E167-F174 WeakPolarHBondContact OE1-CZ 3.37Å
168E63.5Low79.7Confident141 Ų14175.5 Ų75.566%0.65940%0.395SS*.THydrogen-bonded Turntrans5436172.8-60.4170.8165.100113.8R170 K240E168-R170 VanDerWaalsContact C-N 3.3Å; E168-R170 PolarHBondContact O-N 2.66Å; E168-K240 WeakPolarHBondContact OE2-CB 3.5Å
169G62Low79.9Confident77 Ų7777 Ų7779%0.79440%0.402SS*.THydrogen-bonded Turntrans77.79.6179.900000114.9E167E167-G169 PolarHBondContact O-N 3.05Å; E167-G169 VanDerWaalsContact O-N 3.08Å
170R63Low80.3Confident107 Ų10777 Ų7740%0.40440%0.401SS..EExtended strand (participates in β ladder)trans-112.7141.1171.2-60.3179.4-145.4-179.17.9110.1N166 E167 E168 V172 A239N166-R170 WeakPolarHBondContact CA-O 3.45Å; E167-R170 PolarHBondContact N-O 3.32Å; E167-R170 PolarHBondContact O-N 3.1Å; E168-R170 VanDerWaalsContact C-N 3.3Å; E168-R170 PolarHBondContact O-N 2.66Å; R170-V172 PolarHBondContact O-N 2.98Å; R170-A239 PolarHBondContact NH2-O 3.23Å
171N72.4Confident80.9Confident118 Ų11876.9 Ų76.963%0.63140%0.397SS*.EExtended strand (participates in β ladder)trans-72.6109.8168.2-60.611.9000107.1G165 N166G165-N171 CarbonylContact O-C 3.36Å; G165-N171 WeakPolarHBondContact O-CA 3.37Å; N166-N171 PolarHBondContact OD1-OD1 2.98Å
172V75Confident81.8Confident18 Ų1868.2 Ų68.211%0.10936%0.357CS..EExtended strand (participates in β ladder)trans-101.3129.3169.3179.80000106.6G165 E167 R170 F174G165-V172 PolarHBondContact N-O 3Å; G165-V172 PolarHBondContact O-N 2.8Å; G165-V172 VanDerWaalsContact O-O 3.13Å; E167-V172 HydrophobicContact CB-CG2 3.98Å; E167-V172 HydrophobicContact CG-CG2 4.37Å; R170-V172 PolarHBondContact O-N 2.98Å; V172-F174 HydrophobicContact CG1-CE1 4.38Å; V172-F174 HydrophobicContact CG1-CE2 4.42Å; V172-F174 HydrophobicContact CG1-CZ 4.18Å
173L84.5Confident82.6Confident41 Ų4166.2 Ų66.222%0.21535%0.345CS..EExtended strand (participates in β ladder)trans-91.5140.5174.5-56179.2000107.7V159 D163 V164 N206 Y207 G208V159-L173 HydrophobicContact CG1-CB 4.12Å; V159-L173 HydrophobicContact CG1-CD1 4.38Å; V159-L173 HydrophobicContact CG1-CD2 4.07Å; V159-L173 HydrophobicContact CG1-CG 4.41Å; V159-L173 HydrophobicContact CG2-CB 3.95Å; D163-L173 CarbonylContact O-C 3.57Å; V164-L173 HydrophobicContact CB-CD2 4.39Å; V164-L173 HydrophobicContact CG1-CD2 4.21Å; V164-L173 HydrophobicContact CG2-CD2 3.85Å; L173-N206 PolarHBondContact N-O 3.14Å; L173-N206 VanDerWaalsContact N-O 3.07Å; L173-Y207 HydrophobicContact CB-CD1 3.79Å; L173-Y207 HydrophobicContact CB-CE1 4.16Å; L173-Y207 HydrophobicContact CB-CG 4.4Å; L173-Y207 HydrophobicContact CD1-CD1 4.06Å; L173-Y207 HydrophobicContact CD1-CE1 3.54Å; L173-Y207 HydrophobicContact CG-CE1 4.47Å; L173-Y207 CarbonylContact O-C 3.54Å; L173-Y207 WeakPolarHBondContact O-CA 3.41Å; L173-G208 PolarHBondContact O-N 3.04Å
174F85Confident83.4Confident79 Ų7969.6 Ų69.635%0.34636%0.36SS..  trans-106.891.3176.4-71.8-76.3000110D163 E167 V172D163-F174 HydrophobicContact CB-CB 4.25Å; D163-F174 VanDerWaalsContact CB-O 3.3Å; D163-F174 WeakPolarHBondContact CB-O 3.45Å; D163-F174 PolarHBondContact O-N 3.21Å; E167-F174 WeakPolarHBondContact OE1-CZ 3.37Å; V172-F174 HydrophobicContact CG1-CE1 4.38Å; V172-F174 HydrophobicContact CG1-CE2 4.42Å; V172-F174 HydrophobicContact CG1-CZ 4.18Å
175S90Very high84.3Confident7 Ų766.5 Ų66.55%0.04934%0.343CS..  trans-79.7129176.2168.20000110.6L155 T158 L177 V178 Y207L155-S175 WeakPolarHBondContact CD2-OG 3.45Å; T158-S175 PolarHBondContact OG1-OG 2.67Å; S175-L177 PolarHBondContact O-N 2.78Å; S175-L177 WeakPolarHBondContact OG-CB 3.41Å; S175-L177 PolarHBondContact OG-N 3.32Å; S175-L177 VanDerWaalsContact OG-N 3.1Å; S175-V178 VanDerWaalsContact O-CG1 3.25Å; S175-V178 WeakPolarHBondContact O-CG1 3.09Å; S175-V178 PolarHBondContact O-N 3.47Å; S175-V178 VanDerWaalsContact O-N 3.15Å; S175-Y207 PolarHBondContact N-O 2.99Å
176K91.5Very high85.4Confident160 Ų16067 Ų6770%0.69634%0.341SS*.THydrogen-bonded Turntrans-60.8-15.5171.8-65177.5-175.8168.80113.6
177L94.6Very high86.8Confident2 Ų261.2 Ų61.21%0.0131%0.31CS..THydrogen-bonded Turntrans-88-22.7-178.8-167.165.4000112.8P128 D129 L139 L154 T158 S175 D179 I180P128-L177 HydrophobicContact CB-CD2 4.29Å; P128-L177 WeakPolarHBondContact O-CD1 3.27Å; D129-L177 HydrophobicContact CB-CD1 4.1Å; L139-L177 HydrophobicContact CB-CD2 3.71Å; L139-L177 HydrophobicContact CB-CG 3.96Å; L139-L177 HydrophobicContact CD2-CB 4.3Å; L139-L177 HydrophobicContact CD2-CD2 3.9Å; L139-L177 HydrophobicContact CD2-CG 3.73Å; L139-L177 HydrophobicContact CG-CD2 4.34Å; L139-L177 HydrophobicContact CG-CG 4.49Å; L154-L177 HydrophobicContact CB-CD2 3.84Å; T158-L177 HydrophobicContact CG2-CB 4.33Å; S175-L177 PolarHBondContact O-N 2.78Å; S175-L177 WeakPolarHBondContact OG-CB 3.41Å; S175-L177 PolarHBondContact OG-N 3.32Å; S175-L177 VanDerWaalsContact OG-N 3.1Å; L177-D179 VanDerWaalsContact C-N 3.32Å; L177-D179 PolarHBondContact O-N 3.43Å; L177-I180 HydrophobicContact CD1-CD1 3.61Å; L177-I180 PolarHBondContact O-N 2.96Å
178V95.7Very high88.4Confident5 Ų556.5 Ų56.53%0.0329%0.288CS..THydrogen-bonded Turntrans-66.6-30.2-162.680.30000114.1L155 S175 P188 L204 Y207 A209L155-V178 HydrophobicContact CD2-CB 4.16Å; L155-V178 HydrophobicContact CD2-CG2 4.18Å; S175-V178 VanDerWaalsContact O-CG1 3.25Å; S175-V178 WeakPolarHBondContact O-CG1 3.09Å; S175-V178 PolarHBondContact O-N 3.47Å; S175-V178 VanDerWaalsContact O-N 3.15Å; V178-P188 VanDerWaalsContact O-CD 3.27Å; V178-P188 WeakPolarHBondContact O-CD 3.3Å; V178-P188 WeakPolarHBondContact O-CG 3.37Å; V178-L204 HydrophobicContact CG2-CB 4.36Å; V178-L204 HydrophobicContact CG2-CD2 3.94Å; V178-Y207 WeakPolarHBondContact CG1-O 3.16Å; V178-A209 HydrophobicContact CG2-CB 3.65Å
179D96.5Very high90Very high60 Ų6049.8 Ų49.832%0.32126%0.256SS..THydrogen-bonded Turntrans-114.614.4-175.5-78.5-22.3000112.9L177 I181 A209 S210L177-D179 VanDerWaalsContact C-N 3.32Å; L177-D179 PolarHBondContact O-N 3.43Å; D179-I181 PolarHBondContact O-N 3.2Å; D179-A209 WeakPolarHBondContact OD1-CA 3.37Å; D179-S210 PolarHBondContact OD1-N 3.33Å; D179-S210 WeakPolarHBondContact OD2-CB 3.35Å; D179-S210 PolarHBondContact OD2-N 3.31Å
180I97.5Very high91.7Very high30 Ų3046.1 Ų46.115%0.15422%0.218CC..  trans-61.7134.2173.5-66.2-172.8000109.1D129 T137 H140 L177 P188D129-I180 HydrophobicContact CB-CD1 3.94Å; T137-I180 HydrophobicContact CG2-CB 4.39Å; T137-I180 HydrophobicContact CG2-CD1 4.38Å; T137-I180 HydrophobicContact CG2-CG2 3.68Å; H140-I180 PolarHBondContact CE1-O 3.39Å; H140-I180 PolarHBondContact NE2-O 2.5Å; H140-I180 VanDerWaalsContact NE2-O 3.14Å; L177-I180 HydrophobicContact CD1-CD1 3.61Å; L177-I180 PolarHBondContact O-N 2.96Å; I180-P188 VanDerWaalsContact O-CD 3.31Å; I180-P188 WeakPolarHBondContact O-CD 2.94Å
181I98.2Very high93.4Very high62 Ų6242.8 Ų42.832%0.31821%0.206SC..  trans-99146.9177.362.4176.6000113.2K131 D179 Q186 T187 H213K131-I181 PolarHBondContact NZ-O 2.93Å; D179-I181 PolarHBondContact O-N 3.2Å; I181-Q186 WeakPolarHBondContact CA-O 3.49Å; I181-T187 HydrophobicContact CG2-CG2 3.84Å; I181-H213 WeakPolarHBondContact CG2-NE2 3.33Å
182D98.2Very high94.6Very high7 Ų737.2 Ų37.24%0.03718%0.176CC..  trans-80.3-169.5164.174.18.6000112.2G134 V136 Q184 G185 Q186 Y191G134-D182 WeakPolarHBondContact O-CB 3.32Å; V136-D182 HydrophobicContact CG2-CB 4.17Å; D182-Q184 VanDerWaalsContact C-N 3.28Å; D182-Q184 PolarHBondContact O-N 2.81Å; D182-Q184 WeakPolarHBondContact OD1-CA 3.44Å; D182-Q184 WeakPolarHBondContact OD1-CB 3.49Å; D182-Q184 PolarHBondContact OD1-N 3.38Å; D182-G185 PolarHBondContact O-N 3.4Å; D182-G185 PolarHBondContact OD1-N 3.13Å; D182-G185 VanDerWaalsContact OD1-N 3.13Å; D182-Q186 PolarHBondContact N-O 3.48Å; D182-Q186 PolarHBondContact OD1-N 3.4Å; D182-Y191 VanDerWaalsContact OD2-CE2 3.3Å; D182-Y191 WeakPolarHBondContact OD2-CE2 3.5Å; D182-Y191 PolarHBondContact OD2-OH 3.27Å
183K97.7Very high95.6Very high142 Ų14236.3 Ų36.362%0.61717%0.171SC*.THydrogen-bonded Turntrans-72.7-17.3179.9-80.9-173.5172.6175.70114.2W133 G134 G185W133-K183 VanDerWaalsContact O-CD 3.25Å; W133-K183 WeakPolarHBondContact O-CD 3.44Å; W133-K183 WeakPolarHBondContact O-CE 3.46Å; W133-K183 PolarHBondContact O-NZ 2.83Å; G134-K183 VanDerWaalsContact O-CB 3.28Å; G134-K183 WeakPolarHBondContact O-CB 3.47Å; G134-K183 WeakPolarHBondContact O-CG 3.21Å; G134-K183 PolarHBondContact O-N 3.38Å; K183-G185 VanDerWaalsContact C-N 3.28Å
184Q97.4Very high96.2Very high95 Ų9539.3 Ų39.344%0.44418%0.184SC..THydrogen-bonded Turntrans-89.42.8173.3-72.165.441.800111.1D182 Q186 D215 T216D182-Q184 VanDerWaalsContact C-N 3.28Å; D182-Q184 PolarHBondContact O-N 2.81Å; D182-Q184 WeakPolarHBondContact OD1-CA 3.44Å; D182-Q184 WeakPolarHBondContact OD1-CB 3.49Å; D182-Q184 PolarHBondContact OD1-N 3.38Å; Q184-Q186 HydrophobicContact CB-CG 4.01Å; Q184-Q186 PolarHBondContact O-N 3.3Å; Q184-D215 WeakPolarHBondContact O-CB 3.38Å; Q184-T216 WeakPolarHBondContact O-CB 3.44Å; Q184-T216 WeakPolarHBondContact O-CG2 3.3Å; Q184-T216 PolarHBondContact O-N 3.37Å; Q184-T216 PolarHBondContact O-OG1 2.82Å
185G97.9Very high96.6Very high7 Ų740.9 Ų40.97%0.07219%0.192CC..SBendtrans73.210.3-175.400000112.9D182 K183 H213D182-G185 PolarHBondContact O-N 3.4Å; D182-G185 PolarHBondContact OD1-N 3.13Å; D182-G185 VanDerWaalsContact OD1-N 3.13Å; K183-G185 VanDerWaalsContact C-N 3.28Å; G185-H213 PolarHBondContact O-CD2 3.16Å; G185-H213 PolarHBondContact O-NE2 2.98Å
186Q98.2Very high96.8Very high28 Ų2841.2 Ų41.213%0.13120%0.196CC..  trans-81.7133.2-179.1-67.1-174.4-56.700109.6H140 I181 D182 Q184 H190 Y191 E194 D215H140-Q186 PolarHBondContact NE2-O 2.81Å; I181-Q186 WeakPolarHBondContact CA-O 3.49Å; D182-Q186 PolarHBondContact N-O 3.48Å; D182-Q186 PolarHBondContact OD1-N 3.4Å; Q184-Q186 HydrophobicContact CB-CG 4.01Å; Q184-Q186 PolarHBondContact O-N 3.3Å; Q186-H190 HydrophobicContact CB-CB 3.84Å; Q186-H190 HydrophobicContact CG-CB 4.12Å; Q186-Y191 HydrophobicContact CB-CD2 4.21Å; Q186-Y191 HydrophobicContact CB-CE2 3.8Å; Q186-E194 PolarHBondContact NE2-OE2 3.04Å; Q186-E194 VanDerWaalsContact NE2-OE2 3.14Å; Q186-D215 HydrophobicContact CG-CB 4Å
187T98.3Very high97Very high0 Ų034.4 Ų34.40%017%0.168CC..  trans-87.6165.9170.765.20000110.5I181 L189 H190 Y191 H213I181-T187 HydrophobicContact CG2-CG2 3.84Å; T187-L189 PolarHBondContact O-N 3.35Å; T187-L189 PolarHBondContact OG1-N 2.63Å; T187-H190 PolarHBondContact N-ND1 3.4Å; T187-H190 WeakPolarHBondContact O-CA 3.35Å; T187-H190 WeakPolarHBondContact O-CB 3.28Å; T187-H190 PolarHBondContact O-N 3.35Å; T187-H190 PolarHBondContact OG1-N 3.46Å; T187-H190 PolarHBondContact OG1-ND1 2.81Å; T187-Y191 WeakPolarHBondContact O-CD2 3.32Å; T187-Y191 PolarHBondContact O-N 2.69Å; T187-H213 HydrophobicContact CG2-CB 4.06Å
188P98.4Very high97Very high0 Ų037.9 Ų37.90%018%0.183CC..Hα-helixtrans-52.2-30.5170-27.834.2000113.5L139 H140 I143 V178 I180 Y191 A192 L204L139-P188 HydrophobicContact CD2-CB 4.11Å; L139-P188 HydrophobicContact CD2-CG 3.7Å; L139-P188 HydrophobicContact CG-CB 4.11Å; L139-P188 HydrophobicContact CG-CG 3.95Å; H140-P188 WeakPolarHBondContact NE2-CD 3.4Å; I143-P188 HydrophobicContact CG1-CB 4.28Å; V178-P188 VanDerWaalsContact O-CD 3.27Å; V178-P188 WeakPolarHBondContact O-CD 3.3Å; V178-P188 WeakPolarHBondContact O-CG 3.37Å; I180-P188 VanDerWaalsContact O-CD 3.31Å; I180-P188 WeakPolarHBondContact O-CD 2.94Å; P188-Y191 WeakPolarHBondContact O-CB 3.5Å; P188-Y191 PolarHBondContact O-N 2.97Å; P188-A192 PolarHBondContact O-N 3.47Å; P188-L204 VanDerWaalsContact C-CD1 3.43Å; P188-L204 HydrophobicContact CB-CD1 3.91Å; P188-L204 HydrophobicContact CB-CD2 3.8Å; P188-L204 WeakPolarHBondContact O-CD1 3.47Å
189L97.9Very high97Very high0 Ų044.3 Ų44.30%021%0.212CC..Hα-helixtrans-70.6-32.2176.7-173.660.4000112.2T187 A192 C193 A201 L204 M205 A209 I211 P221T187-L189 PolarHBondContact O-N 3.35Å; T187-L189 PolarHBondContact OG1-N 2.63Å; L189-A192 PolarHBondContact O-N 3.01Å; L189-C193 VanDerWaalsContact O-CB 3.29Å; L189-C193 WeakPolarHBondContact O-CB 3.35Å; L189-C193 PolarHBondContact O-N 3.34Å; L189-C193 PolarHBondContact O-SG 2.81Å; L189-C193 VanDerWaalsContact O-SG 3.34Å; L189-A201 HydrophobicContact CD1-CB 3.82Å; L189-L204 HydrophobicContact CB-CD1 4.21Å; L189-L204 HydrophobicContact CD1-CB 4.31Å; L189-L204 HydrophobicContact CD1-CD1 4.28Å; L189-M205 HydrophobicContact CD1-CE 4.22Å; L189-M205 HydrophobicContact CD2-CE 4.2Å; L189-A209 HydrophobicContact CB-CB 4.21Å; L189-A209 HydrophobicContact CD2-CB 3.94Å; L189-I211 HydrophobicContact CD2-CG2 4.03Å; L189-P221 HydrophobicContact CB-CB 4.29Å; L189-P221 HydrophobicContact CB-CG 4.12Å; L189-P221 HydrophobicContact CD2-CB 4.07Å; L189-P221 HydrophobicContact CD2-CG 3.95Å; L189-P221 HydrophobicContact CG-CB 3.7Å; L189-P221 HydrophobicContact CG-CG 3.89Å
190H98.1Very high97Very high0 Ų041.4 Ų41.40%020%0.197CC..Hα-helixtrans-60.2-47.3170.5-71.781.7000110.6Q186 T187 A192 C193 E194 H213 K219 P221Q186-H190 HydrophobicContact CB-CB 3.84Å; Q186-H190 HydrophobicContact CG-CB 4.12Å; T187-H190 PolarHBondContact N-ND1 3.4Å; T187-H190 WeakPolarHBondContact O-CA 3.35Å; T187-H190 WeakPolarHBondContact O-CB 3.28Å; T187-H190 PolarHBondContact O-N 3.35Å; T187-H190 PolarHBondContact OG1-N 3.46Å; T187-H190 PolarHBondContact OG1-ND1 2.81Å; H190-A192 PolarHBondContact O-N 3.12Å; H190-C193 PolarHBondContact O-N 3.05Å; H190-C193 VanDerWaalsContact O-N 3.16Å; H190-E194 WeakPolarHBondContact O-CB 3.47Å; H190-E194 PolarHBondContact O-N 2.89Å; H190-H213 AromaticContact CE1-CD2 3.99Å; H190-H213 PolarHBondContact CE1-O 3.13Å; H190-K219 PolarHBondContact NE2-O 3.49Å; H190-K219 VanDerWaalsContact NE2-O 3.11Å; H190-P221 VanDerWaalsContact CE1-CD 3.44Å; H190-P221 WeakPolarHBondContact CE1-CD 3.25Å; H190-P221 WeakPolarHBondContact NE2-CD 3.29Å
191Y97.9Very high97Very high38 Ų3840 Ų4015%0.14919%0.19CC..Hα-helixtrans-59.5-48.4177.6-77.7-113.9000111.6H140 A144 D182 Q186 T187 P188 C193 E194 E195H140-Y191 HydrophobicContact CB-CE1 4.45Å; H140-Y191 AromaticContact CD2-CD2 3.69Å; H140-Y191 AromaticContact CD2-CE2 3.49Å; H140-Y191 VanDerWaalsContact CD2-CE2 3.49Å; H140-Y191 WeakPolarHBondContact CD2-CE2 3.32Å; A144-Y191 HydrophobicContact CB-CD1 3.85Å; A144-Y191 HydrophobicContact CB-CE1 4.37Å; D182-Y191 VanDerWaalsContact OD2-CE2 3.3Å; D182-Y191 WeakPolarHBondContact OD2-CE2 3.5Å; D182-Y191 PolarHBondContact OD2-OH 3.27Å; Q186-Y191 HydrophobicContact CB-CD2 4.21Å; Q186-Y191 HydrophobicContact CB-CE2 3.8Å; T187-Y191 WeakPolarHBondContact O-CD2 3.32Å; T187-Y191 PolarHBondContact O-N 2.69Å; P188-Y191 WeakPolarHBondContact O-CB 3.5Å; P188-Y191 PolarHBondContact O-N 2.97Å; Y191-C193 PolarHBondContact O-N 3.39Å; Y191-E194 PolarHBondContact O-N 3.27Å; Y191-E195 WeakPolarHBondContact O-CG 3.26Å; Y191-E195 PolarHBondContact O-N 2.83Å; Y191-E195 VanDerWaalsContact O-N 3.13Å
192A97.7Very high96.8Very high0 Ų038.6 Ų38.60%018%0.184CC..Hα-helixtrans-58.7-38.8177.300000112.1I143 P188 L189 H190 G196 N197 A200 A201 L204I143-A192 HydrophobicContact CG2-CB 3.72Å; P188-A192 PolarHBondContact O-N 3.47Å; L189-A192 PolarHBondContact O-N 3.01Å; H190-A192 PolarHBondContact O-N 3.12Å; A192-G196 PolarHBondContact O-N 3.31Å; A192-N197 PolarHBondContact O-N 3.37Å; A192-A200 HydrophobicContact CB-CB 3.63Å; A192-A201 HydrophobicContact CB-CB 4.22Å; A192-L204 HydrophobicContact CB-CD1 3.88Å
193C97Very high96.6Very high0 Ų039.5 Ų39.50%019%0.189CC..Hα-helixtrans-72.6-46.6179.5-79.10000112.9L189 H190 Y191 E195 G196 P221 V224 A225 P226 L229L189-C193 VanDerWaalsContact O-CB 3.29Å; L189-C193 WeakPolarHBondContact O-CB 3.35Å; L189-C193 PolarHBondContact O-N 3.34Å; L189-C193 PolarHBondContact O-SG 2.81Å; L189-C193 VanDerWaalsContact O-SG 3.34Å; H190-C193 PolarHBondContact O-N 3.05Å; H190-C193 VanDerWaalsContact O-N 3.16Å; Y191-C193 PolarHBondContact O-N 3.39Å; C193-E195 VanDerWaalsContact C-N 3.28Å; C193-E195 PolarHBondContact O-N 2.87Å; C193-G196 PolarHBondContact O-N 3.28Å; C193-P221 HydrophobicContact CB-CB 4.23Å; C193-P221 WeakPolarHBondContact CB-O 3.31Å; C193-P221 PolarHBondContact SG-O 3.1Å; C193-P221 VanDerWaalsContact SG-O 3.42Å; C193-V224 HydrophobicContact CB-CG2 4.1Å; C193-A225 HydrophobicContact CB-CB 3.93Å; C193-A225 WeakPolarHBondContact O-CA 3.27Å; C193-P226 WeakPolarHBondContact O-CD 3.48Å; C193-L229 HydrophobicContact CB-CD2 4.31Å
194E95.9Very high96.6Very high103 Ų10332.8 Ų32.848%0.48116%0.16SC..Hα-helixtrans-57.5-41.9179.1-172.5170.8176.100111.5Q186 H190 Y191 G196 V224Q186-E194 PolarHBondContact NE2-OE2 3.04Å; Q186-E194 VanDerWaalsContact NE2-OE2 3.14Å; H190-E194 WeakPolarHBondContact O-CB 3.47Å; H190-E194 PolarHBondContact O-N 2.89Å; Y191-E194 PolarHBondContact O-N 3.27Å; E194-G196 PolarHBondContact O-N 3.14Å; E194-V224 HydrophobicContact CB-CG2 4.28Å
195E94.3Very high96.4Very high113 Ų11328.6 Ų28.653%0.52814%0.14SC..THydrogen-bonded Turntrans-75.8-5.3175.4-62.2-60.3153.500113.8Y191 C193 N197Y191-E195 WeakPolarHBondContact O-CG 3.26Å; Y191-E195 PolarHBondContact O-N 2.83Å; Y191-E195 VanDerWaalsContact O-N 3.13Å; C193-E195 VanDerWaalsContact C-N 3.28Å; C193-E195 PolarHBondContact O-N 2.87Å; E195-N197 VanDerWaalsContact C-N 3.26Å; E195-N197 PolarHBondContact O-N 2.94Å
196G95Very high96.1Very high13 Ų1332.4 Ų32.413%0.13416%0.159CC..THydrogen-bonded Turntrans71.615.6-177.400000114.6A192 C193 E194 F198A192-G196 PolarHBondContact O-N 3.31Å; C193-G196 PolarHBondContact O-N 3.28Å; E194-G196 PolarHBondContact O-N 3.14Å; G196-F198 PolarHBondContact O-N 3.37Å; G196-F198 VanDerWaalsContact O-N 3.16Å
197N95Very high95.9Very high18 Ų1831.7 Ų31.710%0.09616%0.155CC..  trans-83.894.6-173.3-168.7-29.7000112.4E146 A192 E195 Q199 A200 A201E146-N197 WeakPolarHBondContact CG-ND2 3.37Å; A192-N197 PolarHBondContact O-N 3.37Å; E195-N197 VanDerWaalsContact C-N 3.26Å; E195-N197 PolarHBondContact O-N 2.94Å; N197-Q199 VanDerWaalsContact C-N 3.31Å; N197-Q199 PolarHBondContact O-N 3.09Å; N197-Q199 PolarHBondContact OD1-N 3.29Å; N197-Q199 VanDerWaalsContact OD1-N 3.12Å; N197-A200 HydrophobicContact CB-CB 3.81Å; N197-A200 VanDerWaalsContact CG-CB 3.45Å; N197-A200 PolarHBondContact O-N 3Å; N197-A200 WeakPolarHBondContact OD1-CB 3.31Å; N197-A200 PolarHBondContact OD1-N 3.27Å; N197-A201 WeakPolarHBondContact O-CB 3.27Å; N197-A201 PolarHBondContact O-N 2.76Å
198F94.4Very high95.6Very high75 Ų7532.6 Ų32.633%0.32917%0.165SC..Hα-helixtrans-61.8-34.4179.1-176.7-109.7000113.9G196 T202 L229 N232 L233 L236G196-F198 PolarHBondContact O-N 3.37Å; G196-F198 VanDerWaalsContact O-N 3.16Å; F198-T202 WeakPolarHBondContact O-CB 3.49Å; F198-T202 PolarHBondContact O-N 3.26Å; F198-T202 PolarHBondContact O-OG1 3.42Å; F198-L229 HydrophobicContact CB-CD1 3.61Å; F198-L229 HydrophobicContact CD2-CD1 3.62Å; F198-L229 HydrophobicContact CG-CD1 4.1Å; F198-N232 HydrophobicContact CD2-CB 3.68Å; F198-N232 HydrophobicContact CE2-CB 3.62Å; F198-N232 HydrophobicContact CG-CB 4.43Å; F198-N232 HydrophobicContact CZ-CB 4.33Å; F198-L233 HydrophobicContact CD2-CD2 4.09Å; F198-L233 HydrophobicContact CE2-CD2 4.08Å; F198-L236 HydrophobicContact CE2-CD2 4.48Å
199Q95.3Very high95.5Very high139 Ų13933 Ų3365%0.6517%0.168SC*.Hα-helixtrans-70.7-44179.8-68.7-178.5-18.900111L148 N197 T202 L203L148-Q199 HydrophobicContact CD1-CB 3.68Å; N197-Q199 VanDerWaalsContact C-N 3.31Å; N197-Q199 PolarHBondContact O-N 3.09Å; N197-Q199 PolarHBondContact OD1-N 3.29Å; N197-Q199 VanDerWaalsContact OD1-N 3.12Å; Q199-T202 PolarHBondContact O-N 3.2Å; Q199-L203 WeakPolarHBondContact O-CB 3.44Å; Q199-L203 PolarHBondContact O-N 2.88Å
200A97.2Very high95.3Very high0 Ų035.1 Ų35.10%018%0.182CC..Hα-helixtrans-59-47.2173.100000111.5I143 L148 A192 N197 T202 L203 L204I143-A200 HydrophobicContact CD1-CB 4.1Å; I143-A200 HydrophobicContact CG2-CB 4.23Å; L148-A200 HydrophobicContact CD2-CB 3.75Å; A192-A200 HydrophobicContact CB-CB 3.63Å; N197-A200 HydrophobicContact CB-CB 3.81Å; N197-A200 VanDerWaalsContact CG-CB 3.45Å; N197-A200 PolarHBondContact O-N 3Å; N197-A200 WeakPolarHBondContact OD1-CB 3.31Å; N197-A200 PolarHBondContact OD1-N 3.27Å; A200-T202 PolarHBondContact O-N 3.15Å; A200-L203 WeakPolarHBondContact O-CB 3.4Å; A200-L203 PolarHBondContact O-N 2.9Å; A200-L204 VanDerWaalsContact O-CG 3.3Å; A200-L204 WeakPolarHBondContact O-CG 2.98Å; A200-L204 PolarHBondContact O-N 2.99Å
201A96.3Very high95Very high0 Ų037.1 Ų37.10%019%0.193CC..Hα-helixtrans-62-44178.600000111.8L189 A192 N197 L204 M205 L233L189-A201 HydrophobicContact CD1-CB 3.82Å; A192-A201 HydrophobicContact CB-CB 4.22Å; N197-A201 WeakPolarHBondContact O-CB 3.27Å; N197-A201 PolarHBondContact O-N 2.76Å; A201-L204 PolarHBondContact O-N 3.49Å; A201-M205 WeakPolarHBondContact O-CB 3.25Å; A201-M205 VanDerWaalsContact O-CG 3.27Å; A201-M205 WeakPolarHBondContact O-CG 3.3Å; A201-M205 PolarHBondContact O-N 3.05Å; A201-L233 HydrophobicContact CB-CD2 4.01Å
202T93.9Very high94.8Very high33 Ų3341 Ų4120%0.20222%0.216CC..Hα-helixtrans-64.3-42.2177.2-57.80000111.7F198 Q199 A200 M205 N206F198-T202 WeakPolarHBondContact O-CB 3.49Å; F198-T202 PolarHBondContact O-N 3.26Å; F198-T202 PolarHBondContact O-OG1 3.42Å; Q199-T202 PolarHBondContact O-N 3.2Å; A200-T202 PolarHBondContact O-N 3.15Å; T202-M205 PolarHBondContact O-N 2.9Å; T202-N206 VanDerWaalsContact O-CG 3.26Å; T202-N206 PolarHBondContact O-N 3.08Å; T202-N206 PolarHBondContact O-ND2 3.18Å
203L95.5Very high94.7Very high26 Ų2643.8 Ų43.814%0.13623%0.229CC..Hα-helixtrans-55.7-56.9174.3175.465.7000109.7L148 A151 K152 L155 Q199 A200 M205 N206 Y207L148-L203 HydrophobicContact CD2-CD2 4.41Å; A151-L203 HydrophobicContact CB-CD2 3.92Å; K152-L203 HydrophobicContact CB-CD1 4.28Å; K152-L203 HydrophobicContact CB-CD2 4.34Å; K152-L203 HydrophobicContact CG-CD1 4.38Å; L155-L203 HydrophobicContact CD1-CD2 4.34Å; L155-L203 HydrophobicContact CD1-CG 4.12Å; Q199-L203 WeakPolarHBondContact O-CB 3.44Å; Q199-L203 PolarHBondContact O-N 2.88Å; A200-L203 WeakPolarHBondContact O-CB 3.4Å; A200-L203 PolarHBondContact O-N 2.9Å; L203-M205 VanDerWaalsContact C-N 3.32Å; L203-M205 PolarHBondContact O-N 3.43Å; L203-N206 WeakPolarHBondContact O-CB 3.39Å; L203-N206 PolarHBondContact O-N 2.8Å; L203-Y207 HydrophobicContact CD1-CD2 4.04Å; L203-Y207 HydrophobicContact CD1-CE2 3.59Å; L203-Y207 VanDerWaalsContact O-CD2 3.31Å; L203-Y207 WeakPolarHBondContact O-CD2 2.98Å; L203-Y207 PolarHBondContact O-N 3.45Å
204L96.3Very high94.8Very high0 Ų050.2 Ų50.20%026%0.257CS..Hα-helixtrans-58.2-41.7-178.8-68.6168000112.5L139 I143 L155 V178 P188 L189 A192 A200 A201 N206 Y207 G208 A209L139-L204 HydrophobicContact CD1-CD2 4.44Å; L139-L204 HydrophobicContact CD2-CD2 4.19Å; I143-L204 HydrophobicContact CD1-CD1 3.96Å; I143-L204 HydrophobicContact CD1-CD2 4.2Å; I143-L204 HydrophobicContact CD1-CG 4.08Å; I143-L204 HydrophobicContact CG1-CD1 4.17Å; I143-L204 HydrophobicContact CG1-CD2 4.45Å; L155-L204 HydrophobicContact CD1-CD2 4.28Å; V178-L204 HydrophobicContact CG2-CB 4.36Å; V178-L204 HydrophobicContact CG2-CD2 3.94Å; P188-L204 VanDerWaalsContact C-CD1 3.43Å; P188-L204 HydrophobicContact CB-CD1 3.91Å; P188-L204 HydrophobicContact CB-CD2 3.8Å; P188-L204 WeakPolarHBondContact O-CD1 3.47Å; L189-L204 HydrophobicContact CB-CD1 4.21Å; L189-L204 HydrophobicContact CD1-CB 4.31Å; L189-L204 HydrophobicContact CD1-CD1 4.28Å; A192-L204 HydrophobicContact CB-CD1 3.88Å; A200-L204 VanDerWaalsContact O-CG 3.3Å; A200-L204 WeakPolarHBondContact O-CG 2.98Å; A200-L204 PolarHBondContact O-N 2.99Å; A201-L204 PolarHBondContact O-N 3.49Å; L204-N206 VanDerWaalsContact C-N 3.3Å; L204-N206 PolarHBondContact O-N 2.93Å; L204-Y207 CarbonylContact O-C 2.74Å; L204-Y207 WeakPolarHBondContact O-CA 3.43Å; L204-Y207 PolarHBondContact O-N 3.31Å; L204-G208 PolarHBondContact O-N 2.8Å; L204-A209 HydrophobicContact CB-CB 3.86Å; L204-A209 VanDerWaalsContact O-CB 3.26Å; L204-A209 WeakPolarHBondContact O-CB 3.43Å; L204-A209 PolarHBondContact O-N 3.03Å; L204-A209 VanDerWaalsContact O-N 3.09Å
205M93.2Very high94.9Very high8 Ų846 Ų464%0.03924%0.238CC..Hα-helixtrans-63.1-32.6176.4-73-176.3-171.200113.4L189 A201 T202 L203 Y207 G208 I211 L233 L236 L237L189-M205 HydrophobicContact CD1-CE 4.22Å; L189-M205 HydrophobicContact CD2-CE 4.2Å; A201-M205 WeakPolarHBondContact O-CB 3.25Å; A201-M205 VanDerWaalsContact O-CG 3.27Å; A201-M205 WeakPolarHBondContact O-CG 3.3Å; A201-M205 PolarHBondContact O-N 3.05Å; T202-M205 PolarHBondContact O-N 2.9Å; L203-M205 VanDerWaalsContact C-N 3.32Å; L203-M205 PolarHBondContact O-N 3.43Å; M205-Y207 PolarHBondContact O-N 3.15Å; M205-G208 PolarHBondContact O-N 3.18Å; M205-I211 HydrophobicContact CE-CG2 3.74Å; M205-I211 HydrophobicContact CG-CG2 4.42Å; M205-I211 HydrophobicContact SD-CG2 4.38Å; M205-L233 HydrophobicContact CE-CD1 4.29Å; M205-L233 HydrophobicContact CE-CD2 3.62Å; M205-L233 HydrophobicContact CE-CG 4.45Å; M205-L233 HydrophobicContact SD-CD2 4.3Å; M205-L236 HydrophobicContact SD-CD2 3.91Å; M205-L237 HydrophobicContact SD-CD2 4.46Å
206N92.2Very high95Very high86 Ų8645.3 Ų45.346%0.4624%0.241SC..Hα-helixtrans-71.4-18.4174.2-68.1-21.1000112.6L173 T202 L203 L204L173-N206 PolarHBondContact N-O 3.14Å; L173-N206 VanDerWaalsContact N-O 3.07Å; T202-N206 VanDerWaalsContact O-CG 3.26Å; T202-N206 PolarHBondContact O-N 3.08Å; T202-N206 PolarHBondContact O-ND2 3.18Å; L203-N206 WeakPolarHBondContact O-CB 3.39Å; L203-N206 PolarHBondContact O-N 2.8Å; L204-N206 VanDerWaalsContact C-N 3.3Å; L204-N206 PolarHBondContact O-N 2.93Å
207Y94.7Very high95.1Very high14 Ų1451 Ų516%0.05527%0.268CS..THydrogen-bonded Turntrans-101.520.4172.8-71.6-97.9000113L155 D156 V159 L173 S175 V178 L203 L204 M205L155-Y207 HydrophobicContact CB-CD1 3.56Å; L155-Y207 HydrophobicContact CB-CD2 4.31Å; L155-Y207 HydrophobicContact CB-CE1 3.59Å; L155-Y207 HydrophobicContact CB-CE2 4.37Å; L155-Y207 HydrophobicContact CB-CG 3.92Å; L155-Y207 HydrophobicContact CD1-CD1 4.4Å; L155-Y207 HydrophobicContact CD1-CD2 3.76Å; L155-Y207 HydrophobicContact CD1-CE2 4.17Å; L155-Y207 HydrophobicContact CD1-CG 3.87Å; L155-Y207 HydrophobicContact CD2-CD1 4.44Å; L155-Y207 HydrophobicContact CD2-CG 4.25Å; L155-Y207 HydrophobicContact CG-CD1 4.34Å; L155-Y207 HydrophobicContact CG-CG 4.23Å; D156-Y207 WeakPolarHBondContact OD1-CE1 3.29Å; D156-Y207 PolarHBondContact OD1-OH 3.31Å; V159-Y207 HydrophobicContact CG2-CD1 3.84Å; V159-Y207 HydrophobicContact CG2-CE1 4.02Å; L173-Y207 HydrophobicContact CB-CD1 3.79Å; L173-Y207 HydrophobicContact CB-CE1 4.16Å; L173-Y207 HydrophobicContact CB-CG 4.4Å; L173-Y207 HydrophobicContact CD1-CD1 4.06Å; L173-Y207 HydrophobicContact CD1-CE1 3.54Å; L173-Y207 HydrophobicContact CG-CE1 4.47Å; L173-Y207 CarbonylContact O-C 3.54Å; L173-Y207 WeakPolarHBondContact O-CA 3.41Å; S175-Y207 PolarHBondContact N-O 2.99Å; V178-Y207 WeakPolarHBondContact CG1-O 3.16Å; L203-Y207 HydrophobicContact CD1-CD2 4.04Å; L203-Y207 HydrophobicContact CD1-CE2 3.59Å; L203-Y207 VanDerWaalsContact O-CD2 3.31Å; L203-Y207 WeakPolarHBondContact O-CD2 2.98Å; L203-Y207 PolarHBondContact O-N 3.45Å; L204-Y207 CarbonylContact O-C 2.74Å; L204-Y207 WeakPolarHBondContact O-CA 3.43Å; L204-Y207 PolarHBondContact O-N 3.31Å; M205-Y207 PolarHBondContact O-N 3.15Å
208G92.3Very high95.3Very high19 Ų1951.8 Ų51.820%0.19628%0.281CS..THydrogen-bonded Turntrans85.516.1169.300000115.5L173 L204 M205 S210L173-G208 PolarHBondContact O-N 3.04Å; L204-G208 PolarHBondContact O-N 2.8Å; M205-G208 PolarHBondContact O-N 3.18Å; G208-S210 PolarHBondContact O-N 3.32Å
209A95Very high95.4Very high9 Ų953.1 Ų53.17%0.07429%0.287CS..  trans-56.1130-179.600000113.3V178 D179 L189 L204 I211V178-A209 HydrophobicContact CG2-CB 3.65Å; D179-A209 WeakPolarHBondContact OD1-CA 3.37Å; L189-A209 HydrophobicContact CB-CB 4.21Å; L189-A209 HydrophobicContact CD2-CB 3.94Å; L204-A209 HydrophobicContact CB-CB 3.86Å; L204-A209 VanDerWaalsContact O-CB 3.26Å; L204-A209 WeakPolarHBondContact O-CB 3.43Å; L204-A209 PolarHBondContact O-N 3.03Å; L204-A209 VanDerWaalsContact O-N 3.09Å; A209-I211 PolarHBondContact O-N 3.42Å
210S93.4Very high95.5Very high43 Ų4347.3 Ų47.330%0.30126%0.261SS..  trans-72.3115.4176.6-178.90000111.7D179 G208 N212 H213D179-S210 PolarHBondContact OD1-N 3.33Å; D179-S210 WeakPolarHBondContact OD2-CB 3.35Å; D179-S210 PolarHBondContact OD2-N 3.31Å; G208-S210 PolarHBondContact O-N 3.32Å; S210-N212 VanDerWaalsContact C-N 3.27Å; S210-N212 PolarHBondContact O-N 3.43Å; S210-H213 PolarHBondContact OG-N 3.13Å
211I92.6Very high95.4Very high43 Ų4347.3 Ų47.322%0.22126%0.261CS..THydrogen-bonded Turntrans-75.9-14.5178.166.6173.2000113.7L189 M205 A209 P221 L237L189-I211 HydrophobicContact CD2-CG2 4.03Å; M205-I211 HydrophobicContact CE-CG2 3.74Å; M205-I211 HydrophobicContact CG-CG2 4.42Å; M205-I211 HydrophobicContact SD-CG2 4.38Å; A209-I211 PolarHBondContact O-N 3.42Å; I211-P221 WeakPolarHBondContact O-CD 3.41Å; I211-L237 HydrophobicContact CD1-CD1 3.81Å; I211-L237 HydrophobicContact CD1-CD2 3.77Å; I211-L237 HydrophobicContact CD1-CG 4.44Å; I211-L237 HydrophobicContact CG2-CD2 4.36Å
212N93.9Very high95.3Very high119 Ų11949.2 Ų49.264%0.63627%0.272SS*.THydrogen-bonded Turntrans-110.51.5-172.7-65.6-43.1000112.8S210 K214S210-N212 VanDerWaalsContact C-N 3.27Å; S210-N212 PolarHBondContact O-N 3.43Å; N212-K214 PolarHBondContact O-N 2.93Å
213H96Very high95.4Very high59 Ų5951.2 Ų51.227%0.27328%0.282SS..  trans-59.3136.6174.4-168.891.6000109.4I181 G185 T187 H190 S210 T220 P221I181-H213 WeakPolarHBondContact CG2-NE2 3.33Å; G185-H213 PolarHBondContact O-CD2 3.16Å; G185-H213 PolarHBondContact O-NE2 2.98Å; T187-H213 HydrophobicContact CG2-CB 4.06Å; H190-H213 AromaticContact CE1-CD2 3.99Å; H190-H213 PolarHBondContact CE1-O 3.13Å; S210-H213 PolarHBondContact OG-N 3.13Å; H213-T220 WeakPolarHBondContact O-CA 3.17Å; H213-P221 VanDerWaalsContact O-CD 3.32Å; H213-P221 WeakPolarHBondContact O-CD 3.32Å
214K97.8Very high95.4Very high134 Ų13451.9 Ų51.958%0.58329%0.287SS*.  trans-108130.5178.6-69.5-177.5177.9-1730110.3N212 G218 K219 T220N212-K214 PolarHBondContact O-N 2.93Å; K214-G218 WeakPolarHBondContact CD-O 3.32Å; K214-K219 CarbonylContact C-O 3.48Å; K214-K219 VanDerWaalsContact CA-O 3.27Å; K214-K219 WeakPolarHBondContact CA-O 3.49Å; K214-T220 HydrophobicContact CG-CG2 3.97Å
215D97.9Very high95.3Very high16 Ų1652 Ų529%0.08629%0.288CS..  trans-68.5-177.1170.671.310.7000112.2Q184 Q186 D217 G218 K219Q184-D215 WeakPolarHBondContact O-CB 3.38Å; Q186-D215 HydrophobicContact CG-CB 4Å; D215-D217 PolarHBondContact O-N 3.26Å; D215-D217 WeakPolarHBondContact OD1-CA 3.27Å; D215-D217 PolarHBondContact OD1-N 2.84Å; D215-G218 PolarHBondContact O-N 2.87Å; D215-G218 PolarHBondContact OD1-N 3.45Å; D215-K219 PolarHBondContact N-O 3.38Å; D215-K219 WeakPolarHBondContact OD1-CB 3.32Å; D215-K219 PolarHBondContact OD1-N 3.14Å
216T97.9Very high95.4Very high97 Ų9753.6 Ų53.660%0.59530%0.299SS*.THydrogen-bonded Turntrans-64.9-20.8-179.851.90000114Q184 G218Q184-T216 WeakPolarHBondContact O-CB 3.44Å; Q184-T216 WeakPolarHBondContact O-CG2 3.3Å; Q184-T216 PolarHBondContact O-N 3.37Å; Q184-T216 PolarHBondContact O-OG1 2.82Å; T216-G218 VanDerWaalsContact C-N 3.31Å
217D97.3Very high95.5Very high132 Ų13254.9 Ų54.971%0.70631%0.306SS*.THydrogen-bonded Turntrans-90.32.3174.8-67-39.7000112.3D215 K219D215-D217 PolarHBondContact O-N 3.26Å; D215-D217 WeakPolarHBondContact OD1-CA 3.27Å; D215-D217 PolarHBondContact OD1-N 2.84Å; D217-K219 VanDerWaalsContact C-N 3.31Å; D217-K219 HydrophobicContact CB-CG 4.25Å
218G97.7Very high95.3Very high35 Ų3559.6 Ų59.636%0.36133%0.328SS..SBendtrans77.813179.700000114.2K214 D215 T216K214-G218 WeakPolarHBondContact CD-O 3.32Å; D215-G218 PolarHBondContact O-N 2.87Å; D215-G218 PolarHBondContact OD1-N 3.45Å; T216-G218 VanDerWaalsContact C-N 3.31Å
219K97.3Very high95.2Very high103 Ų10358.7 Ų58.745%0.44832%0.319SS..  trans-87.6138.4179.2-57.8-63.3-176176.50110.4H190 K214 D215 D217 D223 V224H190-K219 PolarHBondContact NE2-O 3.49Å; H190-K219 VanDerWaalsContact NE2-O 3.11Å; K214-K219 CarbonylContact C-O 3.48Å; K214-K219 VanDerWaalsContact CA-O 3.27Å; K214-K219 WeakPolarHBondContact CA-O 3.49Å; D215-K219 PolarHBondContact N-O 3.38Å; D215-K219 WeakPolarHBondContact OD1-CB 3.32Å; D215-K219 PolarHBondContact OD1-N 3.14Å; D217-K219 VanDerWaalsContact C-N 3.31Å; D217-K219 HydrophobicContact CB-CG 4.25Å; K219-D223 HydrophobicContact CB-CB 4.01Å; K219-D223 HydrophobicContact CD-CB 3.94Å; K219-V224 HydrophobicContact CB-CG1 3.95Å; K219-V224 HydrophobicContact CG-CG1 4.42Å
220T96.5Very high95Very high18 Ų1862.6 Ų62.611%0.1133%0.332CS..  trans-83.4166167.665.90000110.8H213 K214 V222 D223 V224H213-T220 WeakPolarHBondContact O-CA 3.17Å; K214-T220 HydrophobicContact CG-CG2 3.97Å; T220-V222 PolarHBondContact O-N 2.91Å; T220-V222 VanDerWaalsContact O-N 3.17Å; T220-D223 WeakPolarHBondContact CB-OD2 3.38Å; T220-D223 PolarHBondContact N-OD2 3.44Å; T220-D223 WeakPolarHBondContact O-CB 3.5Å; T220-D223 PolarHBondContact O-N 2.84Å; T220-D223 PolarHBondContact OG1-N 3.07Å; T220-D223 PolarHBondContact OG1-OD2 3.05Å; T220-V224 PolarHBondContact O-N 2.82Å
221P96.1Very high94.7Very high0 Ų066 Ų660%034%0.344CS..Hα-helixtrans-53.3-39.3174.1-26.231.8000113L189 H190 C193 I211 H213 D223 V224 A225L189-P221 HydrophobicContact CB-CB 4.29Å; L189-P221 HydrophobicContact CB-CG 4.12Å; L189-P221 HydrophobicContact CD2-CB 4.07Å; L189-P221 HydrophobicContact CD2-CG 3.95Å; L189-P221 HydrophobicContact CG-CB 3.7Å; L189-P221 HydrophobicContact CG-CG 3.89Å; H190-P221 VanDerWaalsContact CE1-CD 3.44Å; H190-P221 WeakPolarHBondContact CE1-CD 3.25Å; H190-P221 WeakPolarHBondContact NE2-CD 3.29Å; C193-P221 HydrophobicContact CB-CB 4.23Å; C193-P221 WeakPolarHBondContact CB-O 3.31Å; C193-P221 PolarHBondContact SG-O 3.1Å; C193-P221 VanDerWaalsContact SG-O 3.42Å; I211-P221 WeakPolarHBondContact O-CD 3.41Å; H213-P221 VanDerWaalsContact O-CD 3.32Å; H213-P221 WeakPolarHBondContact O-CD 3.32Å; P221-D223 VanDerWaalsContact C-N 3.29Å; P221-D223 PolarHBondContact O-N 3.44Å; P221-V224 WeakPolarHBondContact O-CG2 3.43Å; P221-V224 PolarHBondContact O-N 3.04Å; P221-A225 PolarHBondContact O-N 3.4Å
222V93.8Very high94.6Very high39 Ų3966.9 Ų66.924%0.23635%0.349CS..Hα-helixtrans-69.7-29.5179.6-177.30000111.5T220 V224 A225 R230 L233T220-V222 PolarHBondContact O-N 2.91Å; T220-V222 VanDerWaalsContact O-N 3.17Å; V222-V224 VanDerWaalsContact C-N 3.29Å; V222-V224 PolarHBondContact O-N 3.21Å; V222-A225 PolarHBondContact O-N 3.26Å; V222-R230 HydrophobicContact CG1-CG 4.1Å; V222-R230 PolarHBondContact O-NE 3.36Å; V222-L233 HydrophobicContact CG2-CD1 4.28Å
223D95.2Very high94.3Very high75 Ų7561.2 Ų61.240%0.40132%0.319SS..Hα-helixtrans-68.3-27.2177.1-64.7-46.5000112.6K219 T220 P221 R230K219-D223 HydrophobicContact CB-CB 4.01Å; K219-D223 HydrophobicContact CD-CB 3.94Å; T220-D223 WeakPolarHBondContact CB-OD2 3.38Å; T220-D223 PolarHBondContact N-OD2 3.44Å; T220-D223 WeakPolarHBondContact O-CB 3.5Å; T220-D223 PolarHBondContact O-N 2.84Å; T220-D223 PolarHBondContact OG1-N 3.07Å; T220-D223 PolarHBondContact OG1-OD2 3.05Å; P221-D223 VanDerWaalsContact C-N 3.29Å; P221-D223 PolarHBondContact O-N 3.44Å; D223-R230 PolarHBondContact O-NH2 2.94Å
224V95.6Very high93.7Very high41 Ų4160.8 Ų60.825%0.24832%0.322CS..Hα-helixtrans-91.6-9.4176.2-60.60000113.6C193 E194 K219 T220 P221 V222C193-V224 HydrophobicContact CB-CG2 4.1Å; E194-V224 HydrophobicContact CB-CG2 4.28Å; K219-V224 HydrophobicContact CB-CG1 3.95Å; K219-V224 HydrophobicContact CG-CG1 4.42Å; T220-V224 PolarHBondContact O-N 2.82Å; P221-V224 WeakPolarHBondContact O-CG2 3.43Å; P221-V224 PolarHBondContact O-N 3.04Å; V222-V224 VanDerWaalsContact C-N 3.29Å; V222-V224 PolarHBondContact O-N 3.21Å
225A95.6Very high93.1Very high2 Ų260.6 Ų60.62%0.01732%0.322CS..SBendtrans-70.4145.1-179.100000113.8C193 P221 V222 L229 R230C193-A225 HydrophobicContact CB-CB 3.93Å; C193-A225 WeakPolarHBondContact O-CA 3.27Å; P221-A225 PolarHBondContact O-N 3.4Å; V222-A225 PolarHBondContact O-N 3.26Å; A225-L229 HydrophobicContact CB-CB 4.29Å; A225-L229 HydrophobicContact CB-CD2 3.94Å; A225-L229 HydrophobicContact CB-CG 4.2Å; A225-R230 HydrophobicContact CB-CG 3.74Å; A225-R230 PolarHBondContact O-NE 3.14Å; A225-R230 PolarHBondContact O-NH2 3.29Å
226P95.8Very high92.4Very high42 Ų4261.8 Ų61.827%0.27333%0.328SS..  trans-66.5154.9168.129.3-34.5000111.2C193 H228 L229 R230C193-P226 WeakPolarHBondContact O-CD 3.48Å; P226-H228 VanDerWaalsContact C-N 3.3Å; P226-H228 WeakPolarHBondContact CG-CE1 3.37Å; P226-H228 PolarHBondContact O-N 3.36Å; P226-H228 VanDerWaalsContact O-N 3.15Å; P226-L229 HydrophobicContact CG-CB 4.08Å; P226-L229 PolarHBondContact O-N 2.85Å; P226-R230 PolarHBondContact O-N 2.93Å
227D93.2Very high91.5Very high113 Ų11359.5 Ų59.560%0.60431%0.312SS*.Hα-helixtrans-56.4-38.9-169.1-70.6-23.9000114.3L229 R230 M231D227-L229 VanDerWaalsContact C-N 3.32Å; D227-L229 PolarHBondContact O-N 3.36Å; D227-R230 PolarHBondContact O-N 3.42Å; D227-R230 IonicContact OD1-CZ 3.96Å; D227-R230 IonicContact OD1-NH1 2.87Å; D227-R230 PolarHBondContact OD1-NH1 3.43Å; D227-M231 WeakPolarHBondContact O-CG 3.44Å; D227-M231 PolarHBondContact O-N 3.37Å
228H90.4Very high90.6Very high112 Ų11261.5 Ų61.552%0.51931%0.314SS..Hα-helixtrans-63.3-38.6178.267.5-88000112P226 N232P226-H228 VanDerWaalsContact C-N 3.3Å; P226-H228 WeakPolarHBondContact CG-CE1 3.37Å; P226-H228 PolarHBondContact O-N 3.36Å; P226-H228 VanDerWaalsContact O-N 3.15Å; H228-N232 PolarHBondContact O-N 3.27Å; H228-N232 PolarHBondContact O-ND2 2.97Å
229L90.6Very high89.3Confident0 Ų063 Ų630%032%0.323CS..Hα-helixtrans-71.2-42.5176.517962.8000110.5C193 F198 A225 P226 D227 M231 N232 L233C193-L229 HydrophobicContact CB-CD2 4.31Å; F198-L229 HydrophobicContact CB-CD1 3.61Å; F198-L229 HydrophobicContact CD2-CD1 3.62Å; F198-L229 HydrophobicContact CG-CD1 4.1Å; A225-L229 HydrophobicContact CB-CB 4.29Å; A225-L229 HydrophobicContact CB-CD2 3.94Å; A225-L229 HydrophobicContact CB-CG 4.2Å; P226-L229 HydrophobicContact CG-CB 4.08Å; P226-L229 PolarHBondContact O-N 2.85Å; D227-L229 VanDerWaalsContact C-N 3.32Å; D227-L229 PolarHBondContact O-N 3.36Å; L229-M231 VanDerWaalsContact C-N 3.27Å; L229-M231 PolarHBondContact O-N 3.17Å; L229-N232 PolarHBondContact O-N 2.87Å; L229-L233 HydrophobicContact CD1-CD1 4.24Å; L229-L233 HydrophobicContact CD1-CD2 4.29Å; L229-L233 HydrophobicContact CD1-CG 3.91Å; L229-L233 HydrophobicContact CD2-CD1 4.28Å; L229-L233 HydrophobicContact CG-CD1 3.93Å; L229-L233 HydrophobicContact CG-CG 4.03Å; L229-L233 WeakPolarHBondContact O-CG 3.49Å; L229-L233 PolarHBondContact O-N 2.69Å
230R89.7Confident87.6Confident92 Ų9263.4 Ų63.435%0.34732%0.324SS..Hα-helixtrans-55-43.3174.3-67-176.9-179.2139.10.2111.8V222 D223 A225 P226 D227 N232 S234V222-R230 HydrophobicContact CG1-CG 4.1Å; V222-R230 PolarHBondContact O-NE 3.36Å; D223-R230 PolarHBondContact O-NH2 2.94Å; A225-R230 HydrophobicContact CB-CG 3.74Å; A225-R230 PolarHBondContact O-NE 3.14Å; A225-R230 PolarHBondContact O-NH2 3.29Å; P226-R230 PolarHBondContact O-N 2.93Å; D227-R230 PolarHBondContact O-N 3.42Å; D227-R230 IonicContact OD1-CZ 3.96Å; D227-R230 IonicContact OD1-NH1 2.87Å; D227-R230 PolarHBondContact OD1-NH1 3.43Å; R230-N232 PolarHBondContact O-N 2.83Å; R230-S234 VanDerWaalsContact O-CB 3.27Å; R230-S234 WeakPolarHBondContact O-CB 3.37Å; R230-S234 PolarHBondContact O-N 2.89Å; R230-S234 PolarHBondContact O-OG 2.9Å
231M88.2Confident87.2Confident115 Ų11565.7 Ų65.757%0.56734%0.335SS*.Hα-helixtrans-60.5-44.5175.2-71.9-17869.900111.7D227 L229 S234 K235D227-M231 WeakPolarHBondContact O-CG 3.44Å; D227-M231 PolarHBondContact O-N 3.37Å; L229-M231 VanDerWaalsContact C-N 3.27Å; L229-M231 PolarHBondContact O-N 3.17Å; M231-S234 PolarHBondContact O-OG 3.11Å; M231-K235 WeakPolarHBondContact O-CG 3.33Å; M231-K235 PolarHBondContact O-N 3.46Å; M231-K235 VanDerWaalsContact O-N 3.14Å
232N89.8Confident86.7Confident60 Ų6069.1 Ų69.132%0.32135%0.353SS..Hα-helixtrans-68.8-43.8179.7-69.5-18.8000112.6F198 H228 L229 R230 K235 L236F198-N232 HydrophobicContact CD2-CB 3.68Å; F198-N232 HydrophobicContact CE2-CB 3.62Å; F198-N232 HydrophobicContact CG-CB 4.43Å; F198-N232 HydrophobicContact CZ-CB 4.33Å; H228-N232 PolarHBondContact O-N 3.27Å; H228-N232 PolarHBondContact O-ND2 2.97Å; L229-N232 PolarHBondContact O-N 2.87Å; R230-N232 PolarHBondContact O-N 2.83Å; N232-K235 WeakPolarHBondContact O-CB 3.5Å; N232-K235 PolarHBondContact O-N 2.99Å; N232-L236 PolarHBondContact O-N 2.93Å
233L87.7Confident86.3Confident0 Ų070.8 Ų70.80%036%0.359CS..Hα-helixtrans-63.9-40.8175.6-67.7-177.9000111.5F198 A201 M205 V222 L229 K235 L236 L237F198-L233 HydrophobicContact CD2-CD2 4.09Å; F198-L233 HydrophobicContact CE2-CD2 4.08Å; A201-L233 HydrophobicContact CB-CD2 4.01Å; M205-L233 HydrophobicContact CE-CD1 4.29Å; M205-L233 HydrophobicContact CE-CD2 3.62Å; M205-L233 HydrophobicContact CE-CG 4.45Å; M205-L233 HydrophobicContact SD-CD2 4.3Å; V222-L233 HydrophobicContact CG2-CD1 4.28Å; L229-L233 HydrophobicContact CD1-CD1 4.24Å; L229-L233 HydrophobicContact CD1-CD2 4.29Å; L229-L233 HydrophobicContact CD1-CG 3.91Å; L229-L233 HydrophobicContact CD2-CD1 4.28Å; L229-L233 HydrophobicContact CG-CD1 3.93Å; L229-L233 HydrophobicContact CG-CG 4.03Å; L229-L233 WeakPolarHBondContact O-CG 3.49Å; L229-L233 PolarHBondContact O-N 2.69Å; L233-K235 VanDerWaalsContact C-N 3.29Å; L233-K235 PolarHBondContact O-N 3.38Å; L233-L236 PolarHBondContact O-N 2.71Å; L233-L236 VanDerWaalsContact O-N 3.14Å; L233-L237 WeakPolarHBondContact O-CB 3.27Å; L233-L237 VanDerWaalsContact O-CG 3.29Å; L233-L237 WeakPolarHBondContact O-CG 3.42Å; L233-L237 PolarHBondContact O-N 3.23Å
234S83.8Confident85.8Confident50 Ų5070.5 Ų70.535%0.3536%0.357SS..Hα-helixtrans-63.2-35.5176.373.70000112.6R230 M231 K238R230-S234 VanDerWaalsContact O-CB 3.27Å; R230-S234 WeakPolarHBondContact O-CB 3.37Å; R230-S234 PolarHBondContact O-N 2.89Å; R230-S234 PolarHBondContact O-OG 2.9Å; M231-S234 PolarHBondContact O-OG 3.11Å; S234-K238 VanDerWaalsContact O-CB 3.31Å; S234-K238 WeakPolarHBondContact O-CB 3.35Å; S234-K238 WeakPolarHBondContact O-CD 3.32Å; S234-K238 WeakPolarHBondContact O-CG 3.48Å; S234-K238 PolarHBondContact O-N 3.34Å
235K85.4Confident85.2Confident131 Ų13172.4 Ų72.457%0.5736%0.364SS*.Hα-helixtrans-67-43.2172.3-72.2173.5-177176.10111.2M231 N232 L233 K238 A239M231-K235 WeakPolarHBondContact O-CG 3.33Å; M231-K235 PolarHBondContact O-N 3.46Å; M231-K235 VanDerWaalsContact O-N 3.14Å; N232-K235 WeakPolarHBondContact O-CB 3.5Å; N232-K235 PolarHBondContact O-N 2.99Å; L233-K235 VanDerWaalsContact C-N 3.29Å; L233-K235 PolarHBondContact O-N 3.38Å; K235-K238 PolarHBondContact O-N 3.43Å; K235-A239 VanDerWaalsContact O-CB 3.32Å; K235-A239 WeakPolarHBondContact O-CB 3.4Å; K235-A239 PolarHBondContact O-N 3.45Å; K235-A239 VanDerWaalsContact O-N 3.07Å
236L83.1Confident84.5Confident40 Ų4077.1 Ų77.121%0.20939%0.387CS..Hα-helixtrans-63.4-44.7178.7-175.466.7000111.7F198 M205 N232 L233 A239 K240F198-L236 HydrophobicContact CE2-CD2 4.48Å; M205-L236 HydrophobicContact SD-CD2 3.91Å; N232-L236 PolarHBondContact O-N 2.93Å; L233-L236 PolarHBondContact O-N 2.71Å; L233-L236 VanDerWaalsContact O-N 3.14Å; L236-A239 PolarHBondContact O-N 2.81Å; L236-K240 PolarHBondContact O-N 2.98Å
237L78.9Confident83.7Confident49 Ų4979.6 Ų79.626%0.25740%0.395SS..Hα-helixtrans-71-29.8179.3-68174.1000113.1M205 I211 L233 A239 K240M205-L237 HydrophobicContact SD-CD2 4.46Å; I211-L237 HydrophobicContact CD1-CD1 3.81Å; I211-L237 HydrophobicContact CD1-CD2 3.77Å; I211-L237 HydrophobicContact CD1-CG 4.44Å; I211-L237 HydrophobicContact CG2-CD2 4.36Å; L233-L237 WeakPolarHBondContact O-CB 3.27Å; L233-L237 VanDerWaalsContact O-CG 3.29Å; L233-L237 WeakPolarHBondContact O-CG 3.42Å; L233-L237 PolarHBondContact O-N 3.23Å; L237-A239 VanDerWaalsContact C-N 3.32Å; L237-K240 HydrophobicContact CD2-CD 4.25Å
238K78.4Confident82.9Confident175 Ų17577 Ų7776%0.76138%0.379SS*.Hα-helixtrans-78.5-16.6172-73.8174.2-177.4-179.40113.7S234 K235 K240S234-K238 VanDerWaalsContact O-CB 3.31Å; S234-K238 WeakPolarHBondContact O-CB 3.35Å; S234-K238 WeakPolarHBondContact O-CD 3.32Å; S234-K238 WeakPolarHBondContact O-CG 3.48Å; S234-K238 PolarHBondContact O-N 3.34Å; K235-K238 PolarHBondContact O-N 3.43Å; K238-K240 VanDerWaalsContact C-N 3.33Å
239A69.5Low82.3Confident65 Ų6574.1 Ų74.154%0.53737%0.367SS..THydrogen-bonded Turntrans-92.21.8175.400000112.3R170 K235 L236 L237R170-A239 PolarHBondContact NH2-O 3.23Å; K235-A239 VanDerWaalsContact O-CB 3.32Å; K235-A239 WeakPolarHBondContact O-CB 3.4Å; K235-A239 PolarHBondContact O-N 3.45Å; K235-A239 VanDerWaalsContact O-N 3.07Å; L236-A239 PolarHBondContact O-N 2.81Å; L237-A239 VanDerWaalsContact C-N 3.32Å
240K62.8Low81.6Confident112 Ų11280.8 Ų80.849%0.48740%0.4SS..  trans-87.80163.2-66-176-179.6-168.20106.7E168 L236 L237 K238E168-K240 WeakPolarHBondContact OE2-CB 3.5Å; L236-K240 PolarHBondContact O-N 2.98Å; L237-K240 HydrophobicContact CD2-CD 4.25Å; K238-K240 VanDerWaalsContact C-N 3.33Å

Retrieved 240 of 240 residues in 57.2 ms (Link to these results)

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