G4VDZ8_SCHMA Loading...

Putative ankyrin repeat and socs box protein 13 (Asb-13)

AlphaFold DB , UniProt , Accession G4VDZ8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 265 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M92.2Very high92.7Very high55 Ų5578.8 Ų78.827%0.27140%0.397SS..  0-53.10-165.964.477.600111.8D3 A4 I5 F23 D29 L35M1-D3 VanDerWaalsContact C-N 3.34Å; M1-D3 PolarHBondContact O-N 3.29Å; M1-A4 WeakPolarHBondContact O-CA 3.45Å; M1-A4 VanDerWaalsContact O-CB 3.32Å; M1-A4 WeakPolarHBondContact O-CB 3.26Å; M1-A4 PolarHBondContact O-N 3.02Å; M1-I5 HydrophobicContact CG-CD1 3.83Å; M1-I5 HydrophobicContact CG-CG1 4.25Å; M1-I5 WeakPolarHBondContact O-CG1 3.48Å; M1-I5 PolarHBondContact O-N 3.46Å; M1-F23 HydrophobicContact CE-CZ 4.02Å; M1-F23 HydrophobicContact SD-CE1 4.34Å; M1-F23 HydrophobicContact SD-CZ 3.71Å; M1-D29 HydrophobicContact CE-CB 4.37Å; M1-D29 HydrophobicContact CG-CB 4.14Å; M1-L35 HydrophobicContact SD-CD1 4.32Å
2I91.9Very high92.5Very high140 Ų14079.5 Ų79.572%0.71840%0.403SS*.Hα-helixtrans-52.8-47.3-177.3-63171.1000112.7A4 I5 R6I2-A4 VanDerWaalsContact C-N 3.32Å; I2-A4 PolarHBondContact O-N 2.83Å; I2-I5 PolarHBondContact O-N 2.88Å; I2-R6 PolarHBondContact O-N 3.45Å
3D92.8Very high92.3Very high114 Ų11479.3 Ų79.361%0.6140%0.403SS*.Hα-helixtrans-64-37.6178.3-59.3-45.4000112.7M1 I5 R6 I7M1-D3 VanDerWaalsContact C-N 3.34Å; M1-D3 PolarHBondContact O-N 3.29Å; D3-I5 PolarHBondContact O-N 3.45Å; D3-R6 WeakPolarHBondContact O-CB 3.47Å; D3-R6 PolarHBondContact O-N 2.83Å; D3-I7 WeakPolarHBondContact O-CG1 3.28Å; D3-I7 PolarHBondContact O-N 3.05Å
4A94.5Very high92.3Very high3 Ų381.7 Ų81.73%0.02542%0.418CS..Hα-helixtrans-62.2-43.9174.700000111.2M1 I2 R6 I7 L8 L19 F23 L35M1-A4 WeakPolarHBondContact O-CA 3.45Å; M1-A4 VanDerWaalsContact O-CB 3.32Å; M1-A4 WeakPolarHBondContact O-CB 3.26Å; M1-A4 PolarHBondContact O-N 3.02Å; I2-A4 VanDerWaalsContact C-N 3.32Å; I2-A4 PolarHBondContact O-N 2.83Å; A4-R6 VanDerWaalsContact C-N 3.31Å; A4-R6 PolarHBondContact O-N 3.21Å; A4-I7 PolarHBondContact O-N 3.1Å; A4-L8 WeakPolarHBondContact O-CG 3.38Å; A4-L8 PolarHBondContact O-N 2.91Å; A4-L19 HydrophobicContact CB-CD1 3.57Å; A4-L19 HydrophobicContact CB-CD2 4.2Å; A4-L19 HydrophobicContact CB-CG 4.48Å; A4-F23 HydrophobicContact CB-CD1 4.48Å; A4-F23 HydrophobicContact CB-CD2 3.98Å; A4-F23 HydrophobicContact CB-CE1 4.33Å; A4-F23 HydrophobicContact CB-CE2 3.84Å; A4-F23 HydrophobicContact CB-CG 4.3Å; A4-F23 HydrophobicContact CB-CZ 4Å; A4-L35 HydrophobicContact CB-CD1 3.71Å
5I93.8Very high92.4Very high46 Ų4680.8 Ų80.824%0.23641%0.414CS..Hα-helixtrans-63.1-38.8176-62.4167.8000111M1 I2 D3 I7 L8 K9 H38M1-I5 HydrophobicContact CG-CD1 3.83Å; M1-I5 HydrophobicContact CG-CG1 4.25Å; M1-I5 WeakPolarHBondContact O-CG1 3.48Å; M1-I5 PolarHBondContact O-N 3.46Å; I2-I5 PolarHBondContact O-N 2.88Å; D3-I5 PolarHBondContact O-N 3.45Å; I5-I7 VanDerWaalsContact C-N 3.35Å; I5-L8 WeakPolarHBondContact O-CB 3.36Å; I5-L8 PolarHBondContact O-N 3.15Å; I5-K9 PolarHBondContact O-N 3.42Å; I5-H38 HydrophobicContact CG1-CB 4.11Å
6R94.7Very high92.4Very high182 Ų18276.1 Ų76.169%0.68739%0.39SS*.Hα-helixtrans-61.3-44.3175-175.5-179.3177.2-178.9-1.2111.3I2 D3 A4 K9 S10I2-R6 PolarHBondContact O-N 3.45Å; D3-R6 WeakPolarHBondContact O-CB 3.47Å; D3-R6 PolarHBondContact O-N 2.83Å; A4-R6 VanDerWaalsContact C-N 3.31Å; A4-R6 PolarHBondContact O-N 3.21Å; R6-K9 PolarHBondContact O-N 3.19Å; R6-S10 PolarHBondContact O-N 2.84Å; R6-S10 PolarHBondContact O-OG 3.19Å
7I95.1Very high92.4Very high48 Ų4877.5 Ų77.525%0.24639%0.394CS..Hα-helixtrans-63-43.5174.9-67.6163.4000110.7D3 A4 I5 K9 S10 G11 D15 L16 L19D3-I7 WeakPolarHBondContact O-CG1 3.28Å; D3-I7 PolarHBondContact O-N 3.05Å; A4-I7 PolarHBondContact O-N 3.1Å; I5-I7 VanDerWaalsContact C-N 3.35Å; I7-K9 PolarHBondContact O-N 3.44Å; I7-S10 PolarHBondContact O-N 3.46Å; I7-G11 VanDerWaalsContact O-CA 3.29Å; I7-G11 WeakPolarHBondContact O-CA 3.33Å; I7-G11 PolarHBondContact O-N 3.41Å; I7-D15 HydrophobicContact CG2-CB 3.88Å; I7-L16 HydrophobicContact CG2-CD2 4.17Å; I7-L19 HydrophobicContact CB-CD2 4.27Å; I7-L19 HydrophobicContact CD1-CB 4.49Å; I7-L19 HydrophobicContact CD1-CD1 4.07Å; I7-L19 HydrophobicContact CG2-CB 4.17Å; I7-L19 HydrophobicContact CG2-CD2 4.02Å
8L95Very high92.4Very high3 Ų377.9 Ų77.92%0.01640%0.398CS..Hα-helixtrans-58.7-31.4175.1-69-178.4000113.4A4 I5 L16 L19 L35 H38 A39 L42 N44 A47A4-L8 WeakPolarHBondContact O-CG 3.38Å; A4-L8 PolarHBondContact O-N 2.91Å; I5-L8 WeakPolarHBondContact O-CB 3.36Å; I5-L8 PolarHBondContact O-N 3.15Å; L8-L16 HydrophobicContact CD2-CD2 3.86Å; L8-L19 HydrophobicContact CD2-CD2 4.2Å; L8-L19 HydrophobicContact CG-CD2 4.4Å; L8-L35 HydrophobicContact CD1-CD1 3.4Å; L8-L35 HydrophobicContact CD1-CG 3.94Å; L8-L35 HydrophobicContact CG-CD1 4.03Å; L8-H38 HydrophobicContact CD1-CB 3.83Å; L8-A39 HydrophobicContact CD1-CB 3.99Å; L8-A39 HydrophobicContact CD2-CB 4.15Å; L8-L42 HydrophobicContact CB-CD1 3.69Å; L8-N44 PolarHBondContact O-ND2 3.35Å; L8-A47 HydrophobicContact CD2-CB 3.49Å; L8-A47 VanDerWaalsContact CD2-CB 3.49Å
9K93.8Very high92.4Very high163 Ų16374.2 Ų74.271%0.70938%0.379SS*.Hα-helixtrans-80-37.1-177.1-174.4176-179.8177.70113.4I5 R6 I7 L42I5-K9 PolarHBondContact O-N 3.42Å; R6-K9 PolarHBondContact O-N 3.19Å; I7-K9 PolarHBondContact O-N 3.44Å; K9-L42 HydrophobicContact CB-CD1 4.16Å; K9-L42 HydrophobicContact CB-CD2 4.44Å; K9-L42 HydrophobicContact CG-CD2 4.35Å
10S91.5Very high92.3Very high95 Ų9572.4 Ų72.466%0.66437%0.37SS*.Hα-helixtrans-140.7-2.1-169.764.20000115.8R6 I7R6-S10 PolarHBondContact O-N 2.84Å; R6-S10 PolarHBondContact O-OG 3.19Å; I7-S10 PolarHBondContact O-N 3.46Å
11G84.6Confident92.2Very high18 Ų1876.6 Ų76.619%0.18639%0.388CS..  trans-72150.7-179.700000112.1I7 D15I7-G11 VanDerWaalsContact O-CA 3.29Å; I7-G11 WeakPolarHBondContact O-CA 3.33Å; I7-G11 PolarHBondContact O-N 3.41Å; G11-D15 VanDerWaalsContact CA-OD2 3.28Å; G11-D15 WeakPolarHBondContact CA-OD2 3.44Å
12D90.6Very high92.2Very high87 Ų8778.9 Ų78.947%0.46541%0.405SS..  trans-78.9-173.1172.367.826.4000111.8D14 D15 L16D12-D14 VanDerWaalsContact C-N 3.28Å; D12-D14 PolarHBondContact O-N 2.97Å; D12-D14 WeakPolarHBondContact OD1-CA 3.14Å; D12-D14 WeakPolarHBondContact OD1-CB 3.46Å; D12-D14 PolarHBondContact OD1-N 3.05Å; D12-D15 PolarHBondContact N-OD2 3.37Å; D12-D15 PolarHBondContact OD1-N 3.26Å; D12-L16 WeakPolarHBondContact O-CG 3.29Å; D12-L16 PolarHBondContact O-N 2.77Å; D12-L16 VanDerWaalsContact O-N 3.1Å
13N90Very high92.2Very high77 Ų7774.3 Ų74.341%0.41238%0.38SS..Hα-helixtrans-65.1-34.1-179.9-72.5-4000112.2L16 Q17 K46N13-L16 PolarHBondContact O-N 3.35Å; N13-Q17 WeakPolarHBondContact O-CG 3.36Å; N13-Q17 PolarHBondContact O-N 3.29Å; N13-K46 WeakPolarHBondContact OD1-CD 3.36Å; N13-K46 PolarHBondContact OD1-NZ 3.33Å
14D92.3Very high92.2Very high113 Ų11373.6 Ų73.660%0.60438%0.376SS*.Hα-helixtrans-74.8-39.4-177.2-64.5-19.7000109.4D12 L16 Q17 N18D12-D14 VanDerWaalsContact C-N 3.28Å; D12-D14 PolarHBondContact O-N 2.97Å; D12-D14 WeakPolarHBondContact OD1-CA 3.14Å; D12-D14 WeakPolarHBondContact OD1-CB 3.46Å; D12-D14 PolarHBondContact OD1-N 3.05Å; D14-L16 VanDerWaalsContact C-N 3.33Å; D14-L16 PolarHBondContact O-N 3.31Å; D14-Q17 PolarHBondContact O-N 2.84Å; D14-N18 VanDerWaalsContact O-CB 3.26Å; D14-N18 WeakPolarHBondContact O-CB 3.32Å; D14-N18 PolarHBondContact O-N 3.32Å
15D93.8Very high92Very high68 Ų6874.7 Ų74.736%0.36438%0.382SS..Hα-helixtrans-58.6-43.9171.2-69-37.6000111.7I7 G11 D12 N18 L19I7-D15 HydrophobicContact CG2-CB 3.88Å; G11-D15 VanDerWaalsContact CA-OD2 3.28Å; G11-D15 WeakPolarHBondContact CA-OD2 3.44Å; D12-D15 PolarHBondContact N-OD2 3.37Å; D12-D15 PolarHBondContact OD1-N 3.26Å; D15-N18 PolarHBondContact O-N 3.3Å; D15-L19 VanDerWaalsContact O-CB 3.32Å; D15-L19 WeakPolarHBondContact O-CB 3.44Å; D15-L19 PolarHBondContact O-N 2.77Å
16L92.4Very high91.8Very high5 Ų577.7 Ų77.73%0.02639%0.394CS..Hα-helixtrans-65.8-41.2177.6-71.7175.4000112.1I7 L8 D12 N13 D14 L19 L20 K46 A47 L50I7-L16 HydrophobicContact CG2-CD2 4.17Å; L8-L16 HydrophobicContact CD2-CD2 3.86Å; D12-L16 WeakPolarHBondContact O-CG 3.29Å; D12-L16 PolarHBondContact O-N 2.77Å; D12-L16 VanDerWaalsContact O-N 3.1Å; N13-L16 PolarHBondContact O-N 3.35Å; D14-L16 VanDerWaalsContact C-N 3.33Å; D14-L16 PolarHBondContact O-N 3.31Å; L16-L19 WeakPolarHBondContact O-CB 3.48Å; L16-L19 PolarHBondContact O-N 2.92Å; L16-L20 WeakPolarHBondContact O-CG 3.4Å; L16-L20 PolarHBondContact O-N 2.73Å; L16-L20 VanDerWaalsContact O-N 3.15Å; L16-K46 HydrophobicContact CD1-CB 4.28Å; L16-A47 HydrophobicContact CD1-CB 4.11Å; L16-A47 HydrophobicContact CD2-CB 3.82Å; L16-L50 HydrophobicContact CB-CD1 3.99Å
17Q91.9Very high91.7Very high100 Ų10070.4 Ų70.447%0.46737%0.372SS..Hα-helixtrans-66.2-42.7175.8-74.3-177.16.100111.6N13 D14 L19 L20 Q21N13-Q17 WeakPolarHBondContact O-CG 3.36Å; N13-Q17 PolarHBondContact O-N 3.29Å; D14-Q17 PolarHBondContact O-N 2.84Å; Q17-L19 VanDerWaalsContact C-N 3.3Å; Q17-L19 PolarHBondContact O-N 3.41Å; Q17-L20 PolarHBondContact O-N 3.03Å; Q17-Q21 WeakPolarHBondContact O-CG 3.43Å; Q17-Q21 PolarHBondContact O-N 3.2Å
18N92.9Very high91.7Very high85 Ų8573.3 Ų73.346%0.45538%0.38SS..Hα-helixtrans-63.3-38.7176.1-171.216.5000111.3D14 D15 L20 Q21 T22D14-N18 VanDerWaalsContact O-CB 3.26Å; D14-N18 WeakPolarHBondContact O-CB 3.32Å; D14-N18 PolarHBondContact O-N 3.32Å; D15-N18 PolarHBondContact O-N 3.3Å; N18-L20 VanDerWaalsContact C-N 3.32Å; N18-L20 PolarHBondContact O-N 3.5Å; N18-Q21 PolarHBondContact O-N 3.4Å; N18-T22 WeakPolarHBondContact O-CB 3.08Å; N18-T22 WeakPolarHBondContact O-CG2 3.49Å; N18-T22 PolarHBondContact O-N 3.03Å; N18-T22 PolarHBondContact O-OG1 3.33Å; N18-T22 WeakPolarHBondContact OD1-CG2 3.47Å
19L92.4Very high91.8Very high8 Ų875.1 Ų75.14%0.04239%0.389CS..Hα-helixtrans-57.5-45.6173.3178.566.4000111.2A4 I7 L8 D15 L16 Q17 Q21 T22 F23 L35A4-L19 HydrophobicContact CB-CD1 3.57Å; A4-L19 HydrophobicContact CB-CD2 4.2Å; A4-L19 HydrophobicContact CB-CG 4.48Å; I7-L19 HydrophobicContact CB-CD2 4.27Å; I7-L19 HydrophobicContact CD1-CB 4.49Å; I7-L19 HydrophobicContact CD1-CD1 4.07Å; I7-L19 HydrophobicContact CG2-CB 4.17Å; I7-L19 HydrophobicContact CG2-CD2 4.02Å; L8-L19 HydrophobicContact CD2-CD2 4.2Å; L8-L19 HydrophobicContact CG-CD2 4.4Å; D15-L19 VanDerWaalsContact O-CB 3.32Å; D15-L19 WeakPolarHBondContact O-CB 3.44Å; D15-L19 PolarHBondContact O-N 2.77Å; L16-L19 WeakPolarHBondContact O-CB 3.48Å; L16-L19 PolarHBondContact O-N 2.92Å; Q17-L19 VanDerWaalsContact C-N 3.3Å; Q17-L19 PolarHBondContact O-N 3.41Å; L19-Q21 PolarHBondContact O-N 2.88Å; L19-T22 PolarHBondContact O-N 3.19Å; L19-F23 HydrophobicContact CD1-CB 3.59Å; L19-F23 HydrophobicContact CD1-CD2 4.41Å; L19-F23 HydrophobicContact CD1-CG 4Å; L19-F23 HydrophobicContact CG-CB 4.22Å; L19-F23 WeakPolarHBondContact O-CA 3.46Å; L19-F23 WeakPolarHBondContact O-CB 3.41Å; L19-F23 PolarHBondContact O-N 3.28Å; L19-L35 HydrophobicContact CD2-CD2 3.99Å; L19-L35 HydrophobicContact CG-CD2 4.41Å
20L89.8Confident91.9Very high38 Ų3872.3 Ų72.320%0.19940%0.396CS..Hα-helixtrans-67-24.6-179.6-66.5168.8000113.6L16 Q17 N18 I25 L50 L51L16-L20 WeakPolarHBondContact O-CG 3.4Å; L16-L20 PolarHBondContact O-N 2.73Å; L16-L20 VanDerWaalsContact O-N 3.15Å; Q17-L20 PolarHBondContact O-N 3.03Å; N18-L20 VanDerWaalsContact C-N 3.32Å; N18-L20 PolarHBondContact O-N 3.5Å; L20-I25 HydrophobicContact CD2-CG2 3.79Å; L20-L50 HydrophobicContact CD1-CB 3.42Å; L20-L50 VanDerWaalsContact CD1-CB 3.42Å; L20-L50 HydrophobicContact CD1-CD1 4.18Å; L20-L50 HydrophobicContact CD1-CG 4.3Å; L20-L51 HydrophobicContact CD2-CD2 3.5Å; L20-L51 HydrophobicContact CD2-CG 4.18Å
21Q90.1Very high92Very high160 Ų16071.8 Ų71.875%0.74839%0.386SS*.Hα-helixtrans-82.8-35.7175.8-67.3177.310.400112.7Q17 N18 L19Q17-Q21 WeakPolarHBondContact O-CG 3.43Å; Q17-Q21 PolarHBondContact O-N 3.2Å; N18-Q21 PolarHBondContact O-N 3.4Å; L19-Q21 PolarHBondContact O-N 2.88Å
22T91.9Very high92.6Very high104 Ų10473.5 Ų73.564%0.63839%0.391SS*.Hα-helixtrans-97.5-26.9-171.655.20000113.7N18 L19N18-T22 WeakPolarHBondContact O-CB 3.08Å; N18-T22 WeakPolarHBondContact O-CG2 3.49Å; N18-T22 PolarHBondContact O-N 3.03Å; N18-T22 PolarHBondContact O-OG1 3.33Å; N18-T22 WeakPolarHBondContact OD1-CG2 3.47Å; L19-T22 PolarHBondContact O-N 3.19Å
23F91.6Very high92.8Very high43 Ų4370.3 Ų70.319%0.18937%0.374CS..SBendtrans-98.5138.6-175.8-172.6-100000111.7M1 A4 L19 I25 S27 L35M1-F23 HydrophobicContact CE-CZ 4.02Å; M1-F23 HydrophobicContact SD-CE1 4.34Å; M1-F23 HydrophobicContact SD-CZ 3.71Å; A4-F23 HydrophobicContact CB-CD1 4.48Å; A4-F23 HydrophobicContact CB-CD2 3.98Å; A4-F23 HydrophobicContact CB-CE1 4.33Å; A4-F23 HydrophobicContact CB-CE2 3.84Å; A4-F23 HydrophobicContact CB-CG 4.3Å; A4-F23 HydrophobicContact CB-CZ 4Å; L19-F23 HydrophobicContact CD1-CB 3.59Å; L19-F23 HydrophobicContact CD1-CD2 4.41Å; L19-F23 HydrophobicContact CD1-CG 4Å; L19-F23 HydrophobicContact CG-CB 4.22Å; L19-F23 WeakPolarHBondContact O-CA 3.46Å; L19-F23 WeakPolarHBondContact O-CB 3.41Å; L19-F23 PolarHBondContact O-N 3.28Å; F23-I25 PolarHBondContact O-N 3.19Å; F23-S27 WeakPolarHBondContact CE1-OG 3.36Å; F23-S27 WeakPolarHBondContact CZ-OG 3.23Å; F23-L35 HydrophobicContact CD1-CD2 3.77Å; F23-L35 HydrophobicContact CE1-CB 4.31Å; F23-L35 HydrophobicContact CE1-CD1 4.36Å; F23-L35 HydrophobicContact CE1-CD2 3.91Å; F23-L35 HydrophobicContact CE1-CG 4.44Å
24N92.9Very high93.1Very high99 Ų9967.3 Ų67.353%0.52936%0.358SS..  trans-70.5100.8169.9-179.1-2.1000110H26 S27N24-H26 PolarHBondContact O-N 3.2Å; N24-H26 WeakPolarHBondContact OD1-CB 3.48Å; N24-H26 PolarHBondContact OD1-N 3.24Å; N24-S27 VanDerWaalsContact O-CB 3.27Å; N24-S27 WeakPolarHBondContact O-CB 3.32Å; N24-S27 PolarHBondContact O-N 2.98Å; N24-S27 PolarHBondContact O-OG 3.22Å
25I90.3Very high93.3Very high27 Ų2761.9 Ų61.914%0.13833%0.329CS..THydrogen-bonded Turntrans-59.9-16.8-179.464.7175.6000114.2L20 F23 L51 V56L20-I25 HydrophobicContact CD2-CG2 3.79Å; F23-I25 PolarHBondContact O-N 3.19Å; I25-L51 HydrophobicContact CG2-CD2 4.47Å; I25-V56 HydrophobicContact CB-CG1 4.06Å; I25-V56 HydrophobicContact CD1-CG1 3.9Å; I25-V56 HydrophobicContact CG1-CG1 4.19Å
26H90.3Very high93.5Very high108 Ų10858.8 Ų58.850%0.531%0.313SS..THydrogen-bonded Turntrans-92.5-2.5176.6-56.2-61.8000113.6N24N24-H26 PolarHBondContact O-N 3.2Å; N24-H26 WeakPolarHBondContact OD1-CB 3.48Å; N24-H26 PolarHBondContact OD1-N 3.24Å
27S93Very high93.7Very high30 Ų3058.7 Ų58.721%0.2131%0.312CS..  trans-65.1152.9176.166.10000111.7F23 N24F23-S27 WeakPolarHBondContact CE1-OG 3.36Å; F23-S27 WeakPolarHBondContact CZ-OG 3.23Å; N24-S27 VanDerWaalsContact O-CB 3.27Å; N24-S27 WeakPolarHBondContact O-CB 3.32Å; N24-S27 PolarHBondContact O-N 2.98Å; N24-S27 PolarHBondContact O-OG 3.22Å
28R95.2Very high93.9Very high109 Ų10955.3 Ų55.341%0.41130%0.296SS..BIsolated β-bridgetrans-130.1149.6179.9-56.7-168.3177.5-154.6-3.5110.1N32 N33 T34 S61R28-N32 WeakPolarHBondContact CD-OD1 3.48Å; R28-N32 PolarHBondContact NH1-ND2 3.41Å; R28-N32 PolarHBondContact NH1-OD1 3.48Å; R28-N33 VanDerWaalsContact CA-O 3.23Å; R28-N33 WeakPolarHBondContact CA-O 3.27Å; R28-T34 HydrophobicContact CG-CG2 4.26Å; R28-S61 PolarHBondContact NH1-O 3.47Å
29D95.7Very high94.2Very high41 Ų4151.3 Ų51.322%0.21928%0.275CS..  trans-84.5-172.5174.167.417.3000112.4M1 D31 N32 N33 H38M1-D29 HydrophobicContact CE-CB 4.37Å; M1-D29 HydrophobicContact CG-CB 4.14Å; D29-D31 PolarHBondContact O-N 3.03Å; D29-D31 PolarHBondContact OD1-N 3.04Å; D29-N32 PolarHBondContact O-N 2.8Å; D29-N32 PolarHBondContact OD1-N 3Å; D29-N33 PolarHBondContact N-O 3.25Å; D29-N33 WeakPolarHBondContact OD1-CB 3.22Å; D29-N33 PolarHBondContact OD1-N 3.01Å; D29-N33 PolarHBondContact OD1-ND2 2.9Å; D29-N33 WeakPolarHBondContact OD2-CB 3.35Å; D29-N33 PolarHBondContact OD2-ND2 3.5Å; D29-H38 IonicContact OD2-CE1 2.85Å; D29-H38 PolarHBondContact OD2-CE1 3.44Å; D29-H38 IonicContact OD2-NE2 3.52Å; D29-H38 PolarHBondContact OD2-NE2 3.21Å
30A96.2Very high94.4Very high103 Ų10350.9 Ų50.985%0.85127%0.273SS*.THydrogen-bonded Turntrans-63.4-28.3-17800000113.2N32A30-N32 VanDerWaalsContact C-N 3.26Å
31D95.2Very high94.8Very high84 Ų8452.9 Ų52.945%0.44928%0.283SS..THydrogen-bonded Turntrans-93.312.7177-59.5-45.5000111.5D29 N33 N62 I63D29-D31 PolarHBondContact O-N 3.03Å; D29-D31 PolarHBondContact OD1-N 3.04Å; D31-N33 WeakPolarHBondContact CB-ND2 3.02Å; D31-N33 PolarHBondContact O-N 3.24Å; D31-N62 WeakPolarHBondContact O-CB 3.42Å; D31-I63 HydrophobicContact CB-CD1 4Å; D31-I63 HydrophobicContact CB-CG1 4.11Å; D31-I63 WeakPolarHBondContact O-CG2 3.46Å; D31-I63 PolarHBondContact O-N 3.23Å; D31-I63 WeakPolarHBondContact OD1-CD1 3.44Å
32N95.6Very high95.1Very high55 Ų5548.7 Ų48.729%0.29427%0.265SS..  trans6617.1179.1-159.335.2000113.7R28 D29 A30 S61 I63R28-N32 WeakPolarHBondContact CD-OD1 3.48Å; R28-N32 PolarHBondContact NH1-ND2 3.41Å; R28-N32 PolarHBondContact NH1-OD1 3.48Å; D29-N32 PolarHBondContact O-N 2.8Å; D29-N32 PolarHBondContact OD1-N 3Å; A30-N32 VanDerWaalsContact C-N 3.26Å; N32-S61 PolarHBondContact ND2-O 2.85Å; N32-I63 HydrophobicContact CB-CG2 3.88Å
33N96.4Very high95.3Very high20 Ų2045 Ų4511%0.10725%0.248CC..  trans-73.6141.2174.5-59-61.3000110.5R28 D29 D31 H37 N62R28-N33 VanDerWaalsContact CA-O 3.23Å; R28-N33 WeakPolarHBondContact CA-O 3.27Å; D29-N33 PolarHBondContact N-O 3.25Å; D29-N33 WeakPolarHBondContact OD1-CB 3.22Å; D29-N33 PolarHBondContact OD1-N 3.01Å; D29-N33 PolarHBondContact OD1-ND2 2.9Å; D29-N33 WeakPolarHBondContact OD2-CB 3.35Å; D29-N33 PolarHBondContact OD2-ND2 3.5Å; D31-N33 WeakPolarHBondContact CB-ND2 3.02Å; D31-N33 PolarHBondContact O-N 3.24Å; N33-H37 HydrophobicContact CB-CB 3.96Å; N33-N62 WeakPolarHBondContact OD1-CB 3.4Å; N33-N62 PolarHBondContact OD1-ND2 3.22Å
34T96.2Very high95.6Very high13 Ų1344.6 Ų44.68%0.0825%0.248CC..BIsolated β-bridgetrans-89.5168.417268.90000111R28 L36 H37 H38 A60R28-T34 HydrophobicContact CG-CG2 4.26Å; T34-L36 PolarHBondContact O-N 3.07Å; T34-L36 VanDerWaalsContact O-N 3.16Å; T34-L36 PolarHBondContact OG1-N 3Å; T34-H37 PolarHBondContact N-ND1 3.03Å; T34-H37 WeakPolarHBondContact O-CB 3.29Å; T34-H37 PolarHBondContact O-N 3.34Å; T34-H37 VanDerWaalsContact O-N 3.07Å; T34-H37 PolarHBondContact OG1-ND1 2.79Å; T34-H38 PolarHBondContact O-CD2 2.97Å; T34-H38 PolarHBondContact O-N 3.37Å; T34-A60 HydrophobicContact CG2-CB 3.73Å
35L96.1Very high95.7Very high0 Ų041.3 Ų41.30%023%0.231CC..Hα-helixtrans-58.2-28.7172.7-167.462.7000112.7M1 A4 L8 L19 F23 H38 A39 L51M1-L35 HydrophobicContact SD-CD1 4.32Å; A4-L35 HydrophobicContact CB-CD1 3.71Å; L8-L35 HydrophobicContact CD1-CD1 3.4Å; L8-L35 HydrophobicContact CD1-CG 3.94Å; L8-L35 HydrophobicContact CG-CD1 4.03Å; L19-L35 HydrophobicContact CD2-CD2 3.99Å; L19-L35 HydrophobicContact CG-CD2 4.41Å; F23-L35 HydrophobicContact CD1-CD2 3.77Å; F23-L35 HydrophobicContact CE1-CB 4.31Å; F23-L35 HydrophobicContact CE1-CD1 4.36Å; F23-L35 HydrophobicContact CE1-CD2 3.91Å; F23-L35 HydrophobicContact CE1-CG 4.44Å; L35-H38 PolarHBondContact O-N 2.95Å; L35-A39 PolarHBondContact O-N 3.42Å; L35-L51 HydrophobicContact CB-CD2 4.36Å; L35-L51 HydrophobicContact CD2-CD2 3.76Å; L35-L51 HydrophobicContact CG-CD1 4.23Å; L35-L51 HydrophobicContact CG-CD2 4.16Å
36L96.9Very high96Very high2 Ų245.7 Ų45.71%0.0125%0.249CC..Hα-helixtrans-67.9-36.9175.9-175.163.4000112.7T34 H38 A39 C40 V48 L51 L52 V56 A58 P68 L84T34-L36 PolarHBondContact O-N 3.07Å; T34-L36 VanDerWaalsContact O-N 3.16Å; T34-L36 PolarHBondContact OG1-N 3Å; L36-H38 VanDerWaalsContact C-N 3.34Å; L36-H38 PolarHBondContact O-N 2.95Å; L36-A39 PolarHBondContact O-N 3.28Å; L36-C40 WeakPolarHBondContact O-CB 3.48Å; L36-C40 PolarHBondContact O-N 3.09Å; L36-C40 PolarHBondContact O-SG 3.12Å; L36-V48 HydrophobicContact CD1-CB 4.41Å; L36-V48 HydrophobicContact CD1-CG1 4.11Å; L36-V48 HydrophobicContact CD1-CG2 4.24Å; L36-L51 HydrophobicContact CB-CD1 4.49Å; L36-L51 HydrophobicContact CD1-CB 4.14Å; L36-L51 HydrophobicContact CD1-CD1 4.24Å; L36-L52 HydrophobicContact CD1-CD2 4.46Å; L36-L52 HydrophobicContact CD1-CG 4.47Å; L36-L52 HydrophobicContact CD2-CD2 3.91Å; L36-V56 HydrophobicContact CB-CG2 4.33Å; L36-V56 HydrophobicContact CD2-CG2 3.79Å; L36-V56 HydrophobicContact CG-CG2 4.48Å; L36-A58 HydrophobicContact CD2-CB 4.29Å; L36-P68 HydrophobicContact CB-CG 4.32Å; L36-P68 HydrophobicContact CD2-CB 3.94Å; L36-P68 HydrophobicContact CD2-CG 3.78Å; L36-P68 HydrophobicContact CG-CB 3.86Å; L36-P68 HydrophobicContact CG-CG 3.91Å; L36-L84 HydrophobicContact CD2-CD2 4.15Å
37H97.3Very high96.2Very high3 Ų340.7 Ų40.71%0.01423%0.227CC..Hα-helixtrans-57.9-50.7174.2-70.374.1000110.1N33 T34 A39 C40 L41 A60 Q66 D71N33-H37 HydrophobicContact CB-CB 3.96Å; T34-H37 PolarHBondContact N-ND1 3.03Å; T34-H37 WeakPolarHBondContact O-CB 3.29Å; T34-H37 PolarHBondContact O-N 3.34Å; T34-H37 VanDerWaalsContact O-N 3.07Å; T34-H37 PolarHBondContact OG1-ND1 2.79Å; H37-A39 PolarHBondContact O-N 3.41Å; H37-C40 PolarHBondContact O-N 3.38Å; H37-L41 WeakPolarHBondContact O-CB 3.29Å; H37-L41 PolarHBondContact O-N 3.31Å; H37-A60 PolarHBondContact CE1-O 3.22Å; H37-A60 PolarHBondContact NE2-O 3.46Å; H37-Q66 PolarHBondContact NE2-O 2.91Å; H37-D71 WeakPolarHBondContact CA-OD2 3.33Å; H37-D71 VanDerWaalsContact CB-OD2 3.22Å; H37-D71 WeakPolarHBondContact CB-OD2 3.41Å; H37-D71 IonicContact CD2-OD2 2.67Å; H37-D71 PolarHBondContact CD2-OD2 3.01Å; H37-D71 IonicContact CG-OD2 2.8Å
38H97.1Very high96.4Very high30 Ų3039.2 Ų39.214%0.13922%0.217CC..Hα-helixtrans-61-42.7178.6-69.4-67.3000112.3I5 L8 D29 T34 L35 L36 C40 L41 L42I5-H38 HydrophobicContact CG1-CB 4.11Å; L8-H38 HydrophobicContact CD1-CB 3.83Å; D29-H38 IonicContact OD2-CE1 2.85Å; D29-H38 PolarHBondContact OD2-CE1 3.44Å; D29-H38 IonicContact OD2-NE2 3.52Å; D29-H38 PolarHBondContact OD2-NE2 3.21Å; T34-H38 PolarHBondContact O-CD2 2.97Å; T34-H38 PolarHBondContact O-N 3.37Å; L35-H38 PolarHBondContact O-N 2.95Å; L36-H38 VanDerWaalsContact C-N 3.34Å; L36-H38 PolarHBondContact O-N 2.95Å; H38-C40 PolarHBondContact O-N 3.07Å; H38-L41 PolarHBondContact O-N 3.33Å; H38-L42 WeakPolarHBondContact O-CB 3.48Å; H38-L42 WeakPolarHBondContact O-CD1 3.39Å; H38-L42 WeakPolarHBondContact O-CG 3.48Å; H38-L42 PolarHBondContact O-N 3.03Å
39A97.3Very high96.5Very high0 Ų038.6 Ų38.60%021%0.214CC..Hα-helixtrans-64.2-40.2177.300000112.5L8 L35 L36 H37 G43 N44 A47 V48 L51L8-A39 HydrophobicContact CD1-CB 3.99Å; L8-A39 HydrophobicContact CD2-CB 4.15Å; L35-A39 PolarHBondContact O-N 3.42Å; L36-A39 PolarHBondContact O-N 3.28Å; H37-A39 PolarHBondContact O-N 3.41Å; A39-G43 PolarHBondContact O-N 3.48Å; A39-N44 PolarHBondContact O-N 3.03Å; A39-N44 VanDerWaalsContact O-N 3.09Å; A39-A47 HydrophobicContact CB-CB 4.11Å; A39-V48 HydrophobicContact CB-CG2 3.83Å; A39-L51 HydrophobicContact CB-CD1 3.69Å
40C97.9Very high96.4Very high0 Ų038.9 Ų38.90%022%0.215CC..Hα-helixtrans-67.5-44.2177-73.30000112.4L36 H37 H38 L42 G43 P68 D71 A72 S75 I80L36-C40 WeakPolarHBondContact O-CB 3.48Å; L36-C40 PolarHBondContact O-N 3.09Å; L36-C40 PolarHBondContact O-SG 3.12Å; H37-C40 PolarHBondContact O-N 3.38Å; H38-C40 PolarHBondContact O-N 3.07Å; C40-L42 VanDerWaalsContact C-N 3.33Å; C40-L42 PolarHBondContact O-N 3.04Å; C40-G43 PolarHBondContact O-N 3.5Å; C40-G43 VanDerWaalsContact O-N 3.12Å; C40-P68 WeakPolarHBondContact CB-O 3.49Å; C40-D71 HydrophobicContact CB-CB 3.81Å; C40-A72 HydrophobicContact CB-CB 4.12Å; C40-S75 WeakPolarHBondContact O-CB 3.4Å; C40-S75 PolarHBondContact O-OG 3.37Å; C40-I80 HydrophobicContact CB-CG2 4.26Å
41L97.1Very high96.3Very high79 Ų7934.1 Ų34.141%0.41418%0.176SC..Hα-helixtrans-64-38.3178.3-175.161.7000111.9H37 H38 G43 D71 L74 S75H37-L41 WeakPolarHBondContact O-CB 3.29Å; H37-L41 PolarHBondContact O-N 3.31Å; H38-L41 PolarHBondContact O-N 3.33Å; L41-G43 PolarHBondContact O-N 2.97Å; L41-D71 HydrophobicContact CB-CB 4.02Å; L41-L74 HydrophobicContact CD1-CB 4.4Å; L41-L74 HydrophobicContact CD1-CD2 3.79Å; L41-L74 HydrophobicContact CD1-CG 4.18Å; L41-S75 VanDerWaalsContact O-CB 3.25Å; L41-S75 WeakPolarHBondContact O-CB 3.32Å
42L97Very high96.3Very high73 Ų7331.3 Ų31.338%0.38216%0.161SC..THydrogen-bonded Turntrans-74.1-10.9176.6-70.2171.1000113.5L8 K9 H38 C40 N44L8-L42 HydrophobicContact CB-CD1 3.69Å; K9-L42 HydrophobicContact CB-CD1 4.16Å; K9-L42 HydrophobicContact CB-CD2 4.44Å; K9-L42 HydrophobicContact CG-CD2 4.35Å; H38-L42 WeakPolarHBondContact O-CB 3.48Å; H38-L42 WeakPolarHBondContact O-CD1 3.39Å; H38-L42 WeakPolarHBondContact O-CG 3.48Å; H38-L42 PolarHBondContact O-N 3.03Å; C40-L42 VanDerWaalsContact C-N 3.33Å; C40-L42 PolarHBondContact O-N 3.04Å; L42-N44 VanDerWaalsContact C-N 3.26Å; L42-N44 PolarHBondContact O-N 3.24Å
43G96.7Very high96.2Very high27 Ų2734.7 Ų34.728%0.27818%0.179SC..THydrogen-bonded Turntrans71.817-176.100000114.1A39 C40 L41 V45 I80A39-G43 PolarHBondContact O-N 3.48Å; C40-G43 PolarHBondContact O-N 3.5Å; C40-G43 VanDerWaalsContact O-N 3.12Å; L41-G43 PolarHBondContact O-N 2.97Å; G43-V45 PolarHBondContact O-N 3.25Å; G43-I80 VanDerWaalsContact C-CD1 3.44Å
44N96.4Very high96Very high34 Ų3436.4 Ų36.418%0.18219%0.192CC..  trans-81.188.2-177.5-171.7-21.4000111.4L8 A39 L42 K46 A47 V48L8-N44 PolarHBondContact O-ND2 3.35Å; A39-N44 PolarHBondContact O-N 3.03Å; A39-N44 VanDerWaalsContact O-N 3.09Å; L42-N44 VanDerWaalsContact C-N 3.26Å; L42-N44 PolarHBondContact O-N 3.24Å; N44-K46 VanDerWaalsContact C-N 3.26Å; N44-K46 PolarHBondContact O-N 3.24Å; N44-K46 PolarHBondContact OD1-N 3.19Å; N44-A47 HydrophobicContact CB-CB 4.02Å; N44-A47 PolarHBondContact O-N 3.01Å; N44-A47 PolarHBondContact OD1-N 3.02Å; N44-V48 WeakPolarHBondContact O-CG2 3.43Å; N44-V48 PolarHBondContact O-N 3.49Å
45V96.5Very high95.7Very high30 Ų3038.2 Ų38.218%0.18221%0.213CC..Hα-helixtrans-52.2-42.7179.9176.80000112.6G43 V48 R49 E79 I80 L83G43-V45 PolarHBondContact O-N 3.25Å; V45-V48 PolarHBondContact O-N 3.16Å; V45-R49 WeakPolarHBondContact O-CB 3.34Å; V45-R49 PolarHBondContact O-N 2.79Å; V45-E79 VanDerWaalsContact CG1-CD 3.42Å; V45-E79 HydrophobicContact CG1-CG 4.04Å; V45-E79 VanDerWaalsContact CG1-OE1 3.23Å; V45-E79 WeakPolarHBondContact CG1-OE1 3.39Å; V45-E79 HydrophobicContact CG2-CB 4.37Å; V45-E79 HydrophobicContact CG2-CG 4.36Å; V45-I80 HydrophobicContact CG2-CD1 4.28Å; V45-I80 HydrophobicContact CG2-CG1 3.95Å; V45-L83 HydrophobicContact CG1-CD1 4.07Å
46K95.6Very high95.6Very high118 Ų11839 Ų3951%0.51322%0.218SC..Hα-helixtrans-66.7-46.5-176.9-63.5-175.4-177.9173.40111N13 L16 N44 R49 L50N13-K46 WeakPolarHBondContact OD1-CD 3.36Å; N13-K46 PolarHBondContact OD1-NZ 3.33Å; L16-K46 HydrophobicContact CD1-CB 4.28Å; N44-K46 VanDerWaalsContact C-N 3.26Å; N44-K46 PolarHBondContact O-N 3.24Å; N44-K46 PolarHBondContact OD1-N 3.19Å; K46-R49 PolarHBondContact O-N 2.93Å; K46-L50 WeakPolarHBondContact O-CG 3.5Å; K46-L50 PolarHBondContact O-N 3.38Å
47A96.1Very high95.3Very high3 Ų345.7 Ų45.73%0.02525%0.249CC..Hα-helixtrans-62.9-43.7177.500000111.8L8 L16 A39 N44 R49 L50 L51L8-A47 HydrophobicContact CD2-CB 3.49Å; L8-A47 VanDerWaalsContact CD2-CB 3.49Å; L16-A47 HydrophobicContact CD1-CB 4.11Å; L16-A47 HydrophobicContact CD2-CB 3.82Å; A39-A47 HydrophobicContact CB-CB 4.11Å; N44-A47 HydrophobicContact CB-CB 4.02Å; N44-A47 PolarHBondContact O-N 3.01Å; N44-A47 PolarHBondContact OD1-N 3.02Å; A47-R49 VanDerWaalsContact C-N 3.32Å; A47-R49 PolarHBondContact O-N 2.97Å; A47-L50 PolarHBondContact O-N 3.18Å; A47-L51 WeakPolarHBondContact O-CB 3.48Å; A47-L51 WeakPolarHBondContact O-CD1 3.33Å; A47-L51 WeakPolarHBondContact O-CG 3.32Å; A47-L51 PolarHBondContact O-N 3.42Å
48V96.5Very high95.2Very high0 Ų046.1 Ų46.10%025%0.253CS..Hα-helixtrans-56.5-47.8175168.50000110.9L36 A39 N44 V45 L51 L52 I80 L83L36-V48 HydrophobicContact CD1-CB 4.41Å; L36-V48 HydrophobicContact CD1-CG1 4.11Å; L36-V48 HydrophobicContact CD1-CG2 4.24Å; A39-V48 HydrophobicContact CB-CG2 3.83Å; N44-V48 WeakPolarHBondContact O-CG2 3.43Å; N44-V48 PolarHBondContact O-N 3.49Å; V45-V48 PolarHBondContact O-N 3.16Å; V48-L51 PolarHBondContact O-N 3.35Å; V48-L52 HydrophobicContact CG1-CD1 3.8Å; V48-L52 HydrophobicContact CG1-CG 4.3Å; V48-L52 WeakPolarHBondContact O-CB 3.34Å; V48-L52 VanDerWaalsContact O-CG 3.29Å; V48-L52 WeakPolarHBondContact O-CG 2.9Å; V48-L52 PolarHBondContact O-N 3.46Å; V48-I80 HydrophobicContact CB-CG1 4.48Å; V48-I80 HydrophobicContact CG1-CG2 4.11Å; V48-I80 HydrophobicContact CG2-CD1 3.99Å; V48-I80 HydrophobicContact CG2-CG1 4.18Å; V48-I80 HydrophobicContact CG2-CG2 4.05Å; V48-L83 HydrophobicContact CG1-CD1 4.42Å
49R96Very high95.1Very high95 Ų9548.5 Ų48.536%0.35827%0.267SS..Hα-helixtrans-57.6-52.7179-174.8-179.7-53.9-71.7-2.7111.4V45 K46 A47 L51 L52 D53 E79 L83V45-R49 WeakPolarHBondContact O-CB 3.34Å; V45-R49 PolarHBondContact O-N 2.79Å; K46-R49 PolarHBondContact O-N 2.93Å; A47-R49 VanDerWaalsContact C-N 3.32Å; A47-R49 PolarHBondContact O-N 2.97Å; R49-L51 VanDerWaalsContact C-N 3.31Å; R49-L51 PolarHBondContact O-N 3.12Å; R49-L52 PolarHBondContact O-N 2.91Å; R49-D53 WeakPolarHBondContact O-CB 3.21Å; R49-D53 PolarHBondContact O-N 3.39Å; R49-E79 IonicContact NH2-OE1 3.18Å; R49-L83 VanDerWaalsContact NH1-CD2 3.27Å
50L94.4Very high94.9Very high47 Ų4748.9 Ų48.925%0.24627%0.27CS..Hα-helixtrans-63-37.4-179-64169.7000112.6L16 L20 K46 A47 D53 S54L16-L50 HydrophobicContact CB-CD1 3.99Å; L20-L50 HydrophobicContact CD1-CB 3.42Å; L20-L50 VanDerWaalsContact CD1-CB 3.42Å; L20-L50 HydrophobicContact CD1-CD1 4.18Å; L20-L50 HydrophobicContact CD1-CG 4.3Å; K46-L50 WeakPolarHBondContact O-CG 3.5Å; K46-L50 PolarHBondContact O-N 3.38Å; A47-L50 PolarHBondContact O-N 3.18Å; L50-D53 PolarHBondContact O-N 3.49Å; L50-S54 WeakPolarHBondContact O-CB 3.46Å; L50-S54 PolarHBondContact O-N 2.91Å; L50-S54 PolarHBondContact O-OG 3.25Å
51L94.8Very high94.8Very high3 Ų351.5 Ų51.52%0.01629%0.289CS..Hα-helixtrans-64.7-45.7176-74.6165.8000111.6L20 I25 L35 L36 A39 A47 V48 R49 S54 V56L20-L51 HydrophobicContact CD2-CD2 3.5Å; L20-L51 HydrophobicContact CD2-CG 4.18Å; I25-L51 HydrophobicContact CG2-CD2 4.47Å; L35-L51 HydrophobicContact CB-CD2 4.36Å; L35-L51 HydrophobicContact CD2-CD2 3.76Å; L35-L51 HydrophobicContact CG-CD1 4.23Å; L35-L51 HydrophobicContact CG-CD2 4.16Å; L36-L51 HydrophobicContact CB-CD1 4.49Å; L36-L51 HydrophobicContact CD1-CB 4.14Å; L36-L51 HydrophobicContact CD1-CD1 4.24Å; A39-L51 HydrophobicContact CB-CD1 3.69Å; A47-L51 WeakPolarHBondContact O-CB 3.48Å; A47-L51 WeakPolarHBondContact O-CD1 3.33Å; A47-L51 WeakPolarHBondContact O-CG 3.32Å; A47-L51 PolarHBondContact O-N 3.42Å; V48-L51 PolarHBondContact O-N 3.35Å; R49-L51 VanDerWaalsContact C-N 3.31Å; R49-L51 PolarHBondContact O-N 3.12Å; L51-S54 WeakPolarHBondContact O-CB 3.39Å; L51-S54 PolarHBondContact O-N 2.85Å; L51-V56 HydrophobicContact CB-CG2 4.21Å; L51-V56 HydrophobicContact CD2-CG1 4.37Å; L51-V56 WeakPolarHBondContact O-CG1 3.5Å; L51-V56 VanDerWaalsContact O-CG2 3.29Å; L51-V56 WeakPolarHBondContact O-CG2 3.41Å
52L95Very high94.7Very high26 Ų2648.2 Ų48.214%0.13627%0.272CS..Hα-helixtrans-63.3-42.5176.7-69.1174.6000111.7L36 V48 R49 S54 G55 V56 A58 L83 L84L36-L52 HydrophobicContact CD1-CD2 4.46Å; L36-L52 HydrophobicContact CD1-CG 4.47Å; L36-L52 HydrophobicContact CD2-CD2 3.91Å; V48-L52 HydrophobicContact CG1-CD1 3.8Å; V48-L52 HydrophobicContact CG1-CG 4.3Å; V48-L52 WeakPolarHBondContact O-CB 3.34Å; V48-L52 VanDerWaalsContact O-CG 3.29Å; V48-L52 WeakPolarHBondContact O-CG 2.9Å; V48-L52 PolarHBondContact O-N 3.46Å; R49-L52 PolarHBondContact O-N 2.91Å; L52-S54 PolarHBondContact O-N 3.4Å; L52-G55 PolarHBondContact O-N 2.93Å; L52-V56 HydrophobicContact CD2-CG2 4.35Å; L52-A58 HydrophobicContact CD2-CB 3.78Å; L52-L83 HydrophobicContact CD1-CB 4.24Å; L52-L84 HydrophobicContact CD1-CD2 4.19Å; L52-L84 HydrophobicContact CD2-CD2 4.1Å
53D93.7Very high94.5Very high126 Ų12649.3 Ų49.367%0.67428%0.277SS*.Hα-helixtrans-64.1-26.8176.7-66.2-19.8000112R49 L50 G55R49-D53 WeakPolarHBondContact O-CB 3.21Å; R49-D53 PolarHBondContact O-N 3.39Å; L50-D53 PolarHBondContact O-N 3.49Å; D53-G55 PolarHBondContact O-N 3.28Å
54S92.5Very high94.3Very high55 Ų5550.7 Ų50.739%0.38528%0.278SS..THydrogen-bonded Turntrans-78.7-1.9174.8-55.30000113.9L50 L51 L52L50-S54 WeakPolarHBondContact O-CB 3.46Å; L50-S54 PolarHBondContact O-N 2.91Å; L50-S54 PolarHBondContact O-OG 3.25Å; L51-S54 WeakPolarHBondContact O-CB 3.39Å; L51-S54 PolarHBondContact O-N 2.85Å; L52-S54 PolarHBondContact O-N 3.4Å
55G89.6Confident94.1Very high51 Ų5149.8 Ų49.853%0.52628%0.277SS..THydrogen-bonded Turntrans84.921174.300000115.6L52 D53L52-G55 PolarHBondContact O-N 2.93Å; D53-G55 PolarHBondContact O-N 3.28Å
56V92.6Very high94Very high17 Ų1749.8 Ų49.810%0.10328%0.275CS..  trans-62.4148174.2-58.10000111.6I25 L36 L51 L52 A58I25-V56 HydrophobicContact CB-CG1 4.06Å; I25-V56 HydrophobicContact CD1-CG1 3.9Å; I25-V56 HydrophobicContact CG1-CG1 4.19Å; L36-V56 HydrophobicContact CB-CG2 4.33Å; L36-V56 HydrophobicContact CD2-CG2 3.79Å; L36-V56 HydrophobicContact CG-CG2 4.48Å; L51-V56 HydrophobicContact CB-CG2 4.21Å; L51-V56 HydrophobicContact CD2-CG1 4.37Å; L51-V56 WeakPolarHBondContact O-CG1 3.5Å; L51-V56 VanDerWaalsContact O-CG2 3.29Å; L51-V56 WeakPolarHBondContact O-CG2 3.41Å; L52-V56 HydrophobicContact CD2-CG2 4.35Å; V56-A58 PolarHBondContact O-N 3.24Å
57H92.2Very high94.1Very high142 Ų14244.5 Ų44.566%0.65725%0.252SS*.  trans-71.2103.6174.7-63.2-52.8000111.1N59 A60H57-N59 PolarHBondContact O-N 3.23Å; H57-A60 WeakPolarHBondContact O-CB 3.38Å; H57-A60 PolarHBondContact O-N 3.14Å
58A94.5Very high94.1Very high12 Ų1244.4 Ų44.410%0.09925%0.251CS..THydrogen-bonded Turntrans-67.3-17-176.500000115.1L36 L52 V56 P68 L84 V89L36-A58 HydrophobicContact CD2-CB 4.29Å; L52-A58 HydrophobicContact CD2-CB 3.78Å; V56-A58 PolarHBondContact O-N 3.24Å; A58-P68 WeakPolarHBondContact O-CD 3.39Å; A58-P68 WeakPolarHBondContact O-CG 3.34Å; A58-L84 HydrophobicContact CB-CD2 4.37Å; A58-V89 HydrophobicContact CB-CG1 3.49Å; A58-V89 VanDerWaalsContact CB-CG1 3.49Å
59N94Very high94.2Very high80 Ų8044.4 Ų44.443%0.42825%0.251SS..THydrogen-bonded Turntrans-100.511.4177.8-81.4-26.9000113.6H57 S61 V89 D90H57-N59 PolarHBondContact O-N 3.23Å; N59-S61 PolarHBondContact O-N 3.37Å; N59-V89 WeakPolarHBondContact OD1-CA 3.25Å; N59-V89 WeakPolarHBondContact OD1-CB 3.43Å; N59-V89 WeakPolarHBondContact OD1-CG1 2.91Å; N59-D90 PolarHBondContact OD1-N 3.5Å
60A93.9Very high94.3Very high9 Ų940 Ų407%0.07424%0.235CC..  trans-58.6130.517900000110.1T34 H37 H57 P68T34-A60 HydrophobicContact CG2-CB 3.73Å; H37-A60 PolarHBondContact CE1-O 3.22Å; H37-A60 PolarHBondContact NE2-O 3.46Å; H57-A60 WeakPolarHBondContact O-CB 3.38Å; H57-A60 PolarHBondContact O-N 3.14Å; A60-P68 VanDerWaalsContact O-CD 3.24Å; A60-P68 WeakPolarHBondContact O-CD 3.25Å
61S95.1Very high94.4Very high55 Ų5538.2 Ų38.239%0.38523%0.226SC..  trans-97.7146.8174.656.80000112.1R28 N32 N59 Q66R28-S61 PolarHBondContact NH1-O 3.47Å; N32-S61 PolarHBondContact ND2-O 2.85Å; N59-S61 PolarHBondContact O-N 3.37Å; S61-Q66 CarbonylContact C-O 3.55Å; S61-Q66 VanDerWaalsContact CA-O 3.25Å; S61-Q66 WeakPolarHBondContact CA-O 3.49Å
62N94.8Very high94.6Very high10 Ų1038 Ų385%0.05323%0.225CC..  trans-84.3-174.6168.677.73.3000111.5D31 N33 D64 G65 Q66D31-N62 WeakPolarHBondContact O-CB 3.42Å; N33-N62 WeakPolarHBondContact OD1-CB 3.4Å; N33-N62 PolarHBondContact OD1-ND2 3.22Å; N62-D64 PolarHBondContact O-N 3.49Å; N62-D64 WeakPolarHBondContact OD1-CA 3.46Å; N62-D64 WeakPolarHBondContact OD1-CB 3.45Å; N62-D64 PolarHBondContact OD1-N 2.81Å; N62-G65 PolarHBondContact O-N 3.27Å; N62-G65 VanDerWaalsContact O-N 3.11Å; N62-G65 PolarHBondContact OD1-N 3.14Å; N62-Q66 PolarHBondContact N-O 2.98Å; N62-Q66 PolarHBondContact ND2-OE1 3.18Å; N62-Q66 WeakPolarHBondContact OD1-CB 3.4Å; N62-Q66 PolarHBondContact OD1-N 3.18Å; N62-Q66 PolarHBondContact OD1-O 3.42Å
63I94.6Very high94.7Very high95 Ų9536.8 Ų36.849%0.48722%0.218SC..THydrogen-bonded Turntrans-61.8-26.1-179.558.4171.8000113.9D31 N32 G65D31-I63 HydrophobicContact CB-CD1 4Å; D31-I63 HydrophobicContact CB-CG1 4.11Å; D31-I63 WeakPolarHBondContact O-CG2 3.46Å; D31-I63 PolarHBondContact O-N 3.23Å; D31-I63 WeakPolarHBondContact OD1-CD1 3.44Å; N32-I63 HydrophobicContact CB-CG2 3.88Å; I63-G65 VanDerWaalsContact C-N 3.31Å
64D92Very high94.9Very high56 Ų5633.9 Ų33.930%0.29920%0.202SC..THydrogen-bonded Turntrans-90.46.3178.6-73.6-58.2000113.1N62 Q66 Y96 W97N62-D64 PolarHBondContact O-N 3.49Å; N62-D64 WeakPolarHBondContact OD1-CA 3.46Å; N62-D64 WeakPolarHBondContact OD1-CB 3.45Å; N62-D64 PolarHBondContact OD1-N 2.81Å; D64-Q66 HydrophobicContact CB-CG 4.33Å; D64-Q66 PolarHBondContact O-N 3.04Å; D64-Y96 WeakPolarHBondContact O-CD2 3.38Å; D64-Y96 PolarHBondContact O-N 3.08Å; D64-W97 PolarHBondContact OD1-NE1 3.47Å
65G92.7Very high95.1Very high16 Ų1632.9 Ų32.917%0.16520%0.195CC..SBendtrans74.4-2.5-174.500000114N62 I63 T67 P94N62-G65 PolarHBondContact O-N 3.27Å; N62-G65 VanDerWaalsContact O-N 3.11Å; N62-G65 PolarHBondContact OD1-N 3.14Å; I63-G65 VanDerWaalsContact C-N 3.31Å; G65-T67 PolarHBondContact O-N 2.98Å; G65-P94 CarbonylContact C-O 3.56Å
66Q94.4Very high95.5Very high30 Ų3031 Ų3114%0.1418%0.176CC..  trans-64.4139.9176.9-63.9171.8-30.400109.9H37 S61 N62 D64 C70 S95 Y103H37-Q66 PolarHBondContact NE2-O 2.91Å; S61-Q66 CarbonylContact C-O 3.55Å; S61-Q66 VanDerWaalsContact CA-O 3.25Å; S61-Q66 WeakPolarHBondContact CA-O 3.49Å; N62-Q66 PolarHBondContact N-O 2.98Å; N62-Q66 PolarHBondContact ND2-OE1 3.18Å; N62-Q66 WeakPolarHBondContact OD1-CB 3.4Å; N62-Q66 PolarHBondContact OD1-N 3.18Å; N62-Q66 PolarHBondContact OD1-O 3.42Å; D64-Q66 HydrophobicContact CB-CG 4.33Å; D64-Q66 PolarHBondContact O-N 3.04Å; Q66-C70 HydrophobicContact CB-CB 4.1Å; Q66-C70 HydrophobicContact CG-CB 4.4Å; Q66-S95 WeakPolarHBondContact CG-OG 3.37Å; Q66-Y103 PolarHBondContact NE2-OH 2.87Å
67T96.6Very high95.8Very high7 Ų731.1 Ų31.14%0.04318%0.178CC..  trans-113167.2175610000109.3G65 I69 C70 D71 P93G65-T67 PolarHBondContact O-N 2.98Å; T67-I69 PolarHBondContact O-N 3.24Å; T67-I69 WeakPolarHBondContact OG1-CG2 3.28Å; T67-C70 WeakPolarHBondContact O-CA 3.39Å; T67-C70 WeakPolarHBondContact O-CB 3.22Å; T67-C70 PolarHBondContact O-N 3.46Å; T67-D71 PolarHBondContact O-N 2.94Å; T67-P93 HydrophobicContact CG2-CB 3.85Å; T67-P93 WeakPolarHBondContact OG1-CG 3.37Å
68P97.2Very high96.1Very high0 Ų025.4 Ų25.40%016%0.155CC..Hα-helixtrans-55.6-26-177.5-30.234.9000115.6L36 C40 A58 A60 C70 D71 A72 L84L36-P68 HydrophobicContact CB-CG 4.32Å; L36-P68 HydrophobicContact CD2-CB 3.94Å; L36-P68 HydrophobicContact CD2-CG 3.78Å; L36-P68 HydrophobicContact CG-CB 3.86Å; L36-P68 HydrophobicContact CG-CG 3.91Å; C40-P68 WeakPolarHBondContact CB-O 3.49Å; A58-P68 WeakPolarHBondContact O-CD 3.39Å; A58-P68 WeakPolarHBondContact O-CG 3.34Å; A60-P68 VanDerWaalsContact O-CD 3.24Å; A60-P68 WeakPolarHBondContact O-CD 3.25Å; P68-C70 VanDerWaalsContact C-N 3.32Å; P68-D71 PolarHBondContact O-N 2.91Å; P68-A72 WeakPolarHBondContact O-CB 3.23Å; P68-A72 PolarHBondContact O-N 3.49Å; P68-L84 HydrophobicContact CB-CD1 4.37Å; P68-L84 HydrophobicContact CB-CD2 4.35Å
69I97.9Very high96.2Very high1 Ų129.7 Ų29.71%0.00517%0.173CC..Hα-helixtrans-70.3-28.6174.6-164.7172.3000112.2T67 A73 I81 L84 L85 V89 P93 P100 L116T67-I69 PolarHBondContact O-N 3.24Å; T67-I69 WeakPolarHBondContact OG1-CG2 3.28Å; I69-A73 VanDerWaalsContact O-CB 3.3Å; I69-A73 WeakPolarHBondContact O-CB 3.41Å; I69-A73 PolarHBondContact O-N 3.07Å; I69-I81 HydrophobicContact CD1-CG2 4.24Å; I69-I81 HydrophobicContact CG1-CG2 4.38Å; I69-L84 HydrophobicContact CB-CD1 3.96Å; I69-L84 HydrophobicContact CG1-CD1 4.32Å; I69-L85 HydrophobicContact CD1-CD2 4Å; I69-L85 HydrophobicContact CD1-CG 4.28Å; I69-V89 HydrophobicContact CB-CG2 4.5Å; I69-V89 HydrophobicContact CD1-CG2 3.81Å; I69-P93 HydrophobicContact CG2-CG 4.06Å; I69-P100 HydrophobicContact CG2-CG 3.87Å; I69-L116 HydrophobicContact CD1-CD2 3.91Å; I69-L116 HydrophobicContact CG1-CD2 4.24Å
70C97.4Very high96.5Very high1 Ų125.9 Ų25.91%0.00715%0.153CC..Hα-helixtrans-63.6-45.8169.9-62.90000110.7Q66 T67 P68 A73 L74 Y103Q66-C70 HydrophobicContact CB-CB 4.1Å; Q66-C70 HydrophobicContact CG-CB 4.4Å; T67-C70 WeakPolarHBondContact O-CA 3.39Å; T67-C70 WeakPolarHBondContact O-CB 3.22Å; T67-C70 PolarHBondContact O-N 3.46Å; P68-C70 VanDerWaalsContact C-N 3.32Å; C70-A73 PolarHBondContact O-N 3.39Å; C70-L74 WeakPolarHBondContact O-CB 3.41Å; C70-L74 PolarHBondContact O-N 3.34Å; C70-Y103 HydrophobicContact CB-CD2 3.8Å; C70-Y103 HydrophobicContact CB-CE2 3.67Å
71D97.2Very high96.7Very high10 Ų1025.5 Ų25.55%0.05315%0.149CC..Hα-helixtrans-65.7-40.1178.4-61.4-47.6000112.3H37 C40 L41 T67 P68 A73 L74 S75H37-D71 WeakPolarHBondContact CA-OD2 3.33Å; H37-D71 VanDerWaalsContact CB-OD2 3.22Å; H37-D71 WeakPolarHBondContact CB-OD2 3.41Å; H37-D71 IonicContact CD2-OD2 2.67Å; H37-D71 PolarHBondContact CD2-OD2 3.01Å; H37-D71 IonicContact CG-OD2 2.8Å; C40-D71 HydrophobicContact CB-CB 3.81Å; L41-D71 HydrophobicContact CB-CB 4.02Å; T67-D71 PolarHBondContact O-N 2.94Å; P68-D71 PolarHBondContact O-N 2.91Å; D71-A73 VanDerWaalsContact C-N 3.3Å; D71-A73 PolarHBondContact O-N 3.04Å; D71-L74 PolarHBondContact O-N 3.29Å; D71-S75 PolarHBondContact O-N 2.88Å; D71-S75 PolarHBondContact O-OG 3.4Å
72A98.2Very high96.8Very high0 Ų024.7 Ų24.70%014%0.143CC..Hα-helixtrans-63.4-36.7174.600000112.4C40 P68 S75 G76 S77 I80 I81 L84C40-A72 HydrophobicContact CB-CB 4.12Å; P68-A72 WeakPolarHBondContact O-CB 3.23Å; P68-A72 PolarHBondContact O-N 3.49Å; A72-S75 PolarHBondContact O-OG 3.03Å; A72-G76 PolarHBondContact O-N 3.47Å; A72-S77 PolarHBondContact O-N 3.28Å; A72-S77 VanDerWaalsContact O-N 3.08Å; A72-I80 HydrophobicContact CB-CB 4.12Å; A72-I80 HydrophobicContact CB-CG2 3.37Å; A72-I81 HydrophobicContact CB-CG1 3.86Å; A72-L84 HydrophobicContact CB-CD1 3.87Å
73A98.2Very high96.9Very high0 Ų024.8 Ų24.80%014%0.144CC..Hα-helixtrans-71.3-39.4174.600000112I69 C70 D71 S75 G76 I81 P100 A104 L116I69-A73 VanDerWaalsContact O-CB 3.3Å; I69-A73 WeakPolarHBondContact O-CB 3.41Å; I69-A73 PolarHBondContact O-N 3.07Å; C70-A73 PolarHBondContact O-N 3.39Å; D71-A73 VanDerWaalsContact C-N 3.3Å; D71-A73 PolarHBondContact O-N 3.04Å; A73-S75 VanDerWaalsContact C-N 3.31Å; A73-S75 PolarHBondContact O-N 3.13Å; A73-G76 PolarHBondContact O-N 3Å; A73-I81 HydrophobicContact CB-CD1 4.32Å; A73-P100 HydrophobicContact CB-CB 4.14Å; A73-P100 WeakPolarHBondContact CB-O 3.49Å; A73-A104 HydrophobicContact CB-CB 4.14Å; A73-A104 WeakPolarHBondContact O-CA 3.16Å; A73-A104 PolarHBondContact O-N 3.03Å; A73-L116 HydrophobicContact CB-CD1 4.1Å
74L97Very high97.1Very high64 Ų6420.3 Ų20.334%0.33512%0.121SC..Hα-helixtrans-65-34.6175.3-174.158.9000112.3L41 C70 D71 G76 Y103 N107L41-L74 HydrophobicContact CD1-CB 4.4Å; L41-L74 HydrophobicContact CD1-CD2 3.79Å; L41-L74 HydrophobicContact CD1-CG 4.18Å; C70-L74 WeakPolarHBondContact O-CB 3.41Å; C70-L74 PolarHBondContact O-N 3.34Å; D71-L74 PolarHBondContact O-N 3.29Å; L74-G76 VanDerWaalsContact C-N 3.26Å; L74-Y103 HydrophobicContact CB-CG 4.46Å; L74-Y103 HydrophobicContact CD1-CD1 4.2Å; L74-N107 PolarHBondContact O-ND2 3.49Å
75S97.6Very high97.3Very high34 Ų3419.8 Ų19.824%0.23812%0.118CC..THydrogen-bonded Turntrans-75.9-13.6172.172.80000113.6C40 L41 D71 A72 A73 S77C40-S75 WeakPolarHBondContact O-CB 3.4Å; C40-S75 PolarHBondContact O-OG 3.37Å; L41-S75 VanDerWaalsContact O-CB 3.25Å; L41-S75 WeakPolarHBondContact O-CB 3.32Å; D71-S75 PolarHBondContact O-N 2.88Å; D71-S75 PolarHBondContact O-OG 3.4Å; A72-S75 PolarHBondContact O-OG 3.03Å; A73-S75 VanDerWaalsContact C-N 3.31Å; A73-S75 PolarHBondContact O-N 3.13Å; S75-S77 VanDerWaalsContact C-N 3.3Å; S75-S77 PolarHBondContact O-N 3.46Å
76G97.6Very high97.4Very high11 Ų1128 Ų2811%0.11314%0.144CC..THydrogen-bonded Turntrans78.19.4-179.900000114.8A72 A73 L74 A78 N107 S109A72-G76 PolarHBondContact O-N 3.47Å; A73-G76 PolarHBondContact O-N 3Å; L74-G76 VanDerWaalsContact C-N 3.26Å; G76-A78 PolarHBondContact O-N 3.05Å; G76-A78 VanDerWaalsContact O-N 3.14Å; G76-N107 VanDerWaalsContact CA-OD1 3.22Å; G76-N107 WeakPolarHBondContact CA-OD1 3.43Å; G76-S109 PolarHBondContact O-OG 3.32Å
77S98.2Very high97.3Very high21 Ų2129.3 Ų29.315%0.14716%0.156CC..  trans-82.593.9-172.3-175.20000112.7A72 S75 E79 I80 I81A72-S77 PolarHBondContact O-N 3.28Å; A72-S77 VanDerWaalsContact O-N 3.08Å; S75-S77 VanDerWaalsContact C-N 3.3Å; S75-S77 PolarHBondContact O-N 3.46Å; S77-E79 PolarHBondContact O-N 2.74Å; S77-I80 PolarHBondContact O-N 2.91Å; S77-I80 WeakPolarHBondContact OG-CD1 3.3Å; S77-I80 VanDerWaalsContact OG-CG1 3.32Å; S77-I80 WeakPolarHBondContact OG-CG1 3.42Å; S77-I80 PolarHBondContact OG-N 3.34Å; S77-I81 WeakPolarHBondContact O-CG1 3.49Å; S77-I81 PolarHBondContact O-N 3.21Å
78A98.3Very high97Very high22 Ų2237.8 Ų37.818%0.18219%0.192CC..Hα-helixtrans-57.1-32.7174.800000113.1G76 S82 N111 V115G76-A78 PolarHBondContact O-N 3.05Å; G76-A78 VanDerWaalsContact O-N 3.14Å; A78-S82 WeakPolarHBondContact O-CB 3.24Å; A78-S82 PolarHBondContact O-N 3.1Å; A78-S82 PolarHBondContact O-OG 2.82Å; A78-N111 HydrophobicContact CB-CB 3.86Å; A78-V115 HydrophobicContact CB-CG2 4.15Å
79E98.3Very high96.9Very high102 Ų10238.3 Ų38.348%0.47720%0.196SC..Hα-helixtrans-67.5-46.9176.8-173.9175.7177.600111.3V45 R49 S77 I81 S82 L83V45-E79 VanDerWaalsContact CG1-CD 3.42Å; V45-E79 HydrophobicContact CG1-CG 4.04Å; V45-E79 VanDerWaalsContact CG1-OE1 3.23Å; V45-E79 WeakPolarHBondContact CG1-OE1 3.39Å; V45-E79 HydrophobicContact CG2-CB 4.37Å; V45-E79 HydrophobicContact CG2-CG 4.36Å; R49-E79 IonicContact NH2-OE1 3.18Å; S77-E79 PolarHBondContact O-N 2.74Å; E79-I81 PolarHBondContact O-N 3.06Å; E79-S82 WeakPolarHBondContact O-CB 3.37Å; E79-S82 PolarHBondContact O-N 3.19Å; E79-L83 WeakPolarHBondContact O-CG 2.84Å; E79-L83 PolarHBondContact O-N 2.82Å
80I98.6Very high96.8Very high0 Ų042 Ų420%022%0.215CC..Hα-helixtrans-63.6-43.3177.9-69.9173.1000110.6C40 G43 V45 V48 A72 S77 S82 L83 L84C40-I80 HydrophobicContact CB-CG2 4.26Å; G43-I80 VanDerWaalsContact C-CD1 3.44Å; V45-I80 HydrophobicContact CG2-CD1 4.28Å; V45-I80 HydrophobicContact CG2-CG1 3.95Å; V48-I80 HydrophobicContact CB-CG1 4.48Å; V48-I80 HydrophobicContact CG1-CG2 4.11Å; V48-I80 HydrophobicContact CG2-CD1 3.99Å; V48-I80 HydrophobicContact CG2-CG1 4.18Å; V48-I80 HydrophobicContact CG2-CG2 4.05Å; A72-I80 HydrophobicContact CB-CB 4.12Å; A72-I80 HydrophobicContact CB-CG2 3.37Å; S77-I80 PolarHBondContact O-N 2.91Å; S77-I80 WeakPolarHBondContact OG-CD1 3.3Å; S77-I80 VanDerWaalsContact OG-CG1 3.32Å; S77-I80 WeakPolarHBondContact OG-CG1 3.42Å; S77-I80 PolarHBondContact OG-N 3.34Å; I80-S82 VanDerWaalsContact C-N 3.28Å; I80-S82 PolarHBondContact O-N 3.29Å; I80-L83 WeakPolarHBondContact O-CB 3.48Å; I80-L83 PolarHBondContact O-N 3.3Å; I80-L83 VanDerWaalsContact O-N 3.12Å; I80-L84 HydrophobicContact CG2-CD1 3.97Å; I80-L84 HydrophobicContact CG2-CG 4.35Å; I80-L84 WeakPolarHBondContact O-CG 3.35Å; I80-L84 PolarHBondContact O-N 3.43Å
81I98.5Very high96.7Very high0 Ų042.6 Ų42.60%022%0.219CC..Hα-helixtrans-56.8-46.3174.7-64.8165.5000109.9I69 A72 A73 S77 E79 L83 L84 L85 A112 V115 L116I69-I81 HydrophobicContact CD1-CG2 4.24Å; I69-I81 HydrophobicContact CG1-CG2 4.38Å; A72-I81 HydrophobicContact CB-CG1 3.86Å; A73-I81 HydrophobicContact CB-CD1 4.32Å; S77-I81 WeakPolarHBondContact O-CG1 3.49Å; S77-I81 PolarHBondContact O-N 3.21Å; E79-I81 PolarHBondContact O-N 3.06Å; I81-L83 VanDerWaalsContact C-N 3.32Å; I81-L83 PolarHBondContact O-N 2.89Å; I81-L84 PolarHBondContact O-N 3.45Å; I81-L85 HydrophobicContact CG2-CD1 3.84Å; I81-L85 HydrophobicContact CG2-CG 4.3Å; I81-L85 WeakPolarHBondContact O-CB 3.46Å; I81-L85 VanDerWaalsContact O-CG 3.25Å; I81-L85 WeakPolarHBondContact O-CG 3.15Å; I81-L85 PolarHBondContact O-N 3.08Å; I81-A112 HydrophobicContact CD1-CB 3.53Å; I81-V115 HydrophobicContact CB-CG1 4.29Å; I81-V115 HydrophobicContact CG2-CB 4.36Å; I81-V115 HydrophobicContact CG2-CG1 3.62Å; I81-L116 HydrophobicContact CD1-CD1 4.19Å; I81-L116 HydrophobicContact CD1-CG 4.19Å; I81-L116 HydrophobicContact CG2-CD2 3.66Å; I81-L116 HydrophobicContact CG2-CG 4Å
82S98Very high96.7Very high38 Ų3844.6 Ų44.627%0.26623%0.23SC..Hα-helixtrans-61.9-37.2177.5-60.10000112.8A78 E79 I80 R86A78-S82 WeakPolarHBondContact O-CB 3.24Å; A78-S82 PolarHBondContact O-N 3.1Å; A78-S82 PolarHBondContact O-OG 2.82Å; E79-S82 WeakPolarHBondContact O-CB 3.37Å; E79-S82 PolarHBondContact O-N 3.19Å; I80-S82 VanDerWaalsContact C-N 3.28Å; I80-S82 PolarHBondContact O-N 3.29Å; S82-R86 WeakPolarHBondContact O-CG 3.17Å; S82-R86 PolarHBondContact O-N 3.44Å
83L97.2Very high96.5Very high13 Ų1345 Ų457%0.06823%0.232CC..Hα-helixtrans-65.8-47.5174.9-69.3175000111.6V45 V48 R49 L52 E79 I80 I81 L85 R86V45-L83 HydrophobicContact CG1-CD1 4.07Å; V48-L83 HydrophobicContact CG1-CD1 4.42Å; R49-L83 VanDerWaalsContact NH1-CD2 3.27Å; L52-L83 HydrophobicContact CD1-CB 4.24Å; E79-L83 WeakPolarHBondContact O-CG 2.84Å; E79-L83 PolarHBondContact O-N 2.82Å; I80-L83 WeakPolarHBondContact O-CB 3.48Å; I80-L83 PolarHBondContact O-N 3.3Å; I80-L83 VanDerWaalsContact O-N 3.12Å; I81-L83 VanDerWaalsContact C-N 3.32Å; I81-L83 PolarHBondContact O-N 2.89Å; L83-L85 PolarHBondContact O-N 2.83Å; L83-R86 WeakPolarHBondContact O-CB 3.41Å; L83-R86 PolarHBondContact O-N 3.15Å
84L97.8Very high95.9Very high0 Ų050.1 Ų50.10%027%0.266CS..Hα-helixtrans-61.9-42.7178.9-69170000111.7L36 L52 A58 P68 I69 A72 I80 I81 R86 S87 V89L36-L84 HydrophobicContact CD2-CD2 4.15Å; L52-L84 HydrophobicContact CD1-CD2 4.19Å; L52-L84 HydrophobicContact CD2-CD2 4.1Å; A58-L84 HydrophobicContact CB-CD2 4.37Å; P68-L84 HydrophobicContact CB-CD1 4.37Å; P68-L84 HydrophobicContact CB-CD2 4.35Å; I69-L84 HydrophobicContact CB-CD1 3.96Å; I69-L84 HydrophobicContact CG1-CD1 4.32Å; A72-L84 HydrophobicContact CB-CD1 3.87Å; I80-L84 HydrophobicContact CG2-CD1 3.97Å; I80-L84 HydrophobicContact CG2-CG 4.35Å; I80-L84 WeakPolarHBondContact O-CG 3.35Å; I80-L84 PolarHBondContact O-N 3.43Å; I81-L84 PolarHBondContact O-N 3.45Å; L84-R86 PolarHBondContact O-N 2.82Å; L84-S87 WeakPolarHBondContact O-CA 3.35Å; L84-S87 WeakPolarHBondContact O-CB 3.45Å; L84-S87 PolarHBondContact O-N 3.15Å; L84-V89 HydrophobicContact CB-CG1 4.29Å; L84-V89 HydrophobicContact CB-CG2 3.97Å; L84-V89 WeakPolarHBondContact O-CG1 3.13Å; L84-V89 WeakPolarHBondContact O-CG2 3.3Å
85L96.8Very high95.3Very high45 Ų4548.2 Ų48.224%0.23626%0.258CS..Hα-helixtrans-59.8-31.5177.9-72.6170.9000112.9I69 I81 L83 S87 K88 V89 V91 V115 A119I69-L85 HydrophobicContact CD1-CD2 4Å; I69-L85 HydrophobicContact CD1-CG 4.28Å; I81-L85 HydrophobicContact CG2-CD1 3.84Å; I81-L85 HydrophobicContact CG2-CG 4.3Å; I81-L85 WeakPolarHBondContact O-CB 3.46Å; I81-L85 VanDerWaalsContact O-CG 3.25Å; I81-L85 WeakPolarHBondContact O-CG 3.15Å; I81-L85 PolarHBondContact O-N 3.08Å; L83-L85 PolarHBondContact O-N 2.83Å; L85-S87 PolarHBondContact O-N 3.49Å; L85-K88 PolarHBondContact O-N 3.13Å; L85-K88 VanDerWaalsContact O-N 3.14Å; L85-V89 HydrophobicContact CD2-CG2 4.17Å; L85-V91 HydrophobicContact CD2-CB 4.31Å; L85-V91 HydrophobicContact CD2-CG2 4.41Å; L85-V115 HydrophobicContact CD1-CG1 3.7Å; L85-A119 HydrophobicContact CD1-CB 3.58Å; L85-A119 HydrophobicContact CD2-CB 3.86Å; L85-A119 HydrophobicContact CG-CB 4.38Å
86R95.3Very high94.7Very high189 Ų18954.1 Ų54.171%0.71328%0.276SS*.Hα-helixtrans-66.1-27173.3-67.5169.7-173.3-176.72.4112.5S82 L83 L84 K88S82-R86 WeakPolarHBondContact O-CG 3.17Å; S82-R86 PolarHBondContact O-N 3.44Å; L83-R86 WeakPolarHBondContact O-CB 3.41Å; L83-R86 PolarHBondContact O-N 3.15Å; L84-R86 PolarHBondContact O-N 2.82Å; R86-K88 PolarHBondContact O-N 2.96Å
87S92.2Very high94.3Very high57 Ų5758.6 Ų58.640%0.39929%0.29SS..THydrogen-bonded Turntrans-82.413.1174.5-56.10000113.4L84 L85 V89L84-S87 WeakPolarHBondContact O-CA 3.35Å; L84-S87 WeakPolarHBondContact O-CB 3.45Å; L84-S87 PolarHBondContact O-N 3.15Å; L85-S87 PolarHBondContact O-N 3.49Å; S87-V89 VanDerWaalsContact C-N 3.29Å; S87-V89 PolarHBondContact O-N 3.45Å
88K90.2Very high94Very high185 Ų18557.8 Ų57.880%0.80428%0.284SS*.THydrogen-bonded Turntrans5836.9178.8-54.9-178.6-179.5178.90113.6L85 R86L85-K88 PolarHBondContact O-N 3.13Å; L85-K88 VanDerWaalsContact O-N 3.14Å; R86-K88 PolarHBondContact O-N 2.96Å
89V94.7Very high93.9Very high12 Ų1257.3 Ų57.37%0.07328%0.28CS..  trans-65.3153.4170.8-60.10000110.9A58 N59 I69 L84 L85 S87A58-V89 HydrophobicContact CB-CG1 3.49Å; A58-V89 VanDerWaalsContact CB-CG1 3.49Å; N59-V89 WeakPolarHBondContact OD1-CA 3.25Å; N59-V89 WeakPolarHBondContact OD1-CB 3.43Å; N59-V89 WeakPolarHBondContact OD1-CG1 2.91Å; I69-V89 HydrophobicContact CB-CG2 4.5Å; I69-V89 HydrophobicContact CD1-CG2 3.81Å; L84-V89 HydrophobicContact CB-CG1 4.29Å; L84-V89 HydrophobicContact CB-CG2 3.97Å; L84-V89 WeakPolarHBondContact O-CG1 3.13Å; L84-V89 WeakPolarHBondContact O-CG2 3.3Å; L85-V89 HydrophobicContact CD2-CG2 4.17Å; S87-V89 VanDerWaalsContact C-N 3.29Å; S87-V89 PolarHBondContact O-N 3.45Å
90D95.1Very high93.8Very high77 Ų7752.5 Ų52.541%0.41226%0.257SS..  trans-72129.4170.1-172.91.7000109.3N59 N92 P93N59-D90 PolarHBondContact OD1-N 3.5Å; D90-N92 VanDerWaalsContact C-N 3.32Å; D90-N92 PolarHBondContact OD1-N 2.97Å; D90-P93 WeakPolarHBondContact O-CD 3.43Å
91V96.4Very high93.8Very high15 Ų1552.5 Ų52.59%0.09126%0.257CS..SBendtrans-78.4-20.1176.570.40000111.9L85 P93 P100 L116 A119 A121L85-V91 HydrophobicContact CD2-CB 4.31Å; L85-V91 HydrophobicContact CD2-CG2 4.41Å; V91-P93 WeakPolarHBondContact O-CD 3.22Å; V91-P100 WeakPolarHBondContact O-CG 3.35Å; V91-L116 HydrophobicContact CG2-CD2 4Å; V91-A119 HydrophobicContact CG2-CB 4.03Å; V91-A121 HydrophobicContact CG2-CB 4.01Å
92N96Very high93.8Very high51 Ų5152.5 Ų52.527%0.27326%0.257SS..SBendtrans-120.154179.2-62.3-61.8000111.6D90 G120 A121 S122D90-N92 VanDerWaalsContact C-N 3.32Å; D90-N92 PolarHBondContact OD1-N 2.97Å; N92-G120 PolarHBondContact ND2-O 3.04Å; N92-A121 WeakPolarHBondContact OD1-CA 3.37Å; N92-S122 PolarHBondContact OD1-N 3.36Å; N92-S122 PolarHBondContact OD1-OG 3.38Å
93P93.8Very high93.7Very high8 Ų851.1 Ų51.15%0.05225%0.246CC..  trans-61.4149.2-179.430.9-36.6000110.6T67 I69 D90 V91 S95 P100T67-P93 HydrophobicContact CG2-CB 3.85Å; T67-P93 WeakPolarHBondContact OG1-CG 3.37Å; I69-P93 HydrophobicContact CG2-CG 4.06Å; D90-P93 WeakPolarHBondContact O-CD 3.43Å; V91-P93 WeakPolarHBondContact O-CD 3.22Å; P93-S95 PolarHBondContact O-N 3.21Å; P93-P100 HydrophobicContact CG-CG 3.79Å
94P86.4Confident93.8Very high108 Ų10850.5 Ų50.570%0.70124%0.243SC*.  trans-66.1117.5172.928.1-33000109.1G65G65-P94 CarbonylContact C-O 3.56Å
95S84.9Confident93.8Very high25 Ų2550.5 Ų50.518%0.17524%0.243CC..  trans-138.5134.7174.1174.90000109.7Q66 P93 W97 G98 Y103Q66-S95 WeakPolarHBondContact CG-OG 3.37Å; P93-S95 PolarHBondContact O-N 3.21Å; S95-W97 VanDerWaalsContact C-N 3.28Å; S95-W97 PolarHBondContact O-N 3.37Å; S95-G98 WeakPolarHBondContact CB-O 3.46Å; S95-G98 PolarHBondContact OG-O 2.86Å; S95-Y103 PolarHBondContact OG-OH 3.18Å; S95-Y103 VanDerWaalsContact OG-OH 3.09Å
96Y83.6Confident93.8Very high157 Ų15751.7 Ų51.762%0.61625%0.247SC*.THydrogen-bonded Turntrans-64.3-34.6-178-70.1-64.3000112.6D64 R128D64-Y96 WeakPolarHBondContact O-CD2 3.38Å; D64-Y96 PolarHBondContact O-N 3.08Å; Y96-R128 WeakPolarHBondContact O-CB 3.49Å
97W89.7Confident93.9Very high106 Ų10646 Ų4640%0.40223%0.231SC..THydrogen-bonded Turntrans-97.1-3.5-170-58.1109.8000114.3D64 S95 Y103 E127D64-W97 PolarHBondContact OD1-NE1 3.47Å; S95-W97 VanDerWaalsContact C-N 3.28Å; S95-W97 PolarHBondContact O-N 3.37Å; W97-Y103 WeakPolarHBondContact CB-OH 3.39Å; W97-E127 WeakPolarHBondContact O-CB 3.47Å
98G92.1Very high94.1Very high3 Ų347 Ų473%0.03123%0.23CC..  trans142.3163.8174.600000113.3S95 Y103S95-G98 WeakPolarHBondContact CB-O 3.46Å; S95-G98 PolarHBondContact OG-O 2.86Å; G98-Y103 WeakPolarHBondContact O-CE2 3.18Å
99S95.6Very high94.5Very high13 Ų1339.2 Ų39.29%0.09120%0.198CC..  trans-73.9163.2174.466.90000111.5L101 I102 Y103S99-L101 PolarHBondContact O-N 3.18Å; S99-L101 VanDerWaalsContact O-N 3.11Å; S99-I102 WeakPolarHBondContact O-CA 3.48Å; S99-I102 WeakPolarHBondContact O-CB 3.16Å; S99-I102 PolarHBondContact O-N 2.93Å; S99-I102 PolarHBondContact OG-N 3.36Å; S99-Y103 VanDerWaalsContact O-CD2 3.31Å; S99-Y103 WeakPolarHBondContact O-CD2 3.09Å; S99-Y103 PolarHBondContact O-N 3.27Å
100P97.5Very high94.7Very high0 Ų040.2 Ų40.20%020%0.203CC..Hα-helixtrans-49.1-37.1170.3-30.838.1000113.3I69 A73 V91 P93 I102 Y103 A104 L116I69-P100 HydrophobicContact CG2-CG 3.87Å; A73-P100 HydrophobicContact CB-CB 4.14Å; A73-P100 WeakPolarHBondContact CB-O 3.49Å; V91-P100 WeakPolarHBondContact O-CG 3.35Å; P93-P100 HydrophobicContact CG-CG 3.79Å; P100-I102 VanDerWaalsContact C-N 3.33Å; P100-I102 PolarHBondContact O-N 3.49Å; P100-Y103 PolarHBondContact O-N 3.34Å; P100-A104 PolarHBondContact O-N 3.05Å; P100-L116 HydrophobicContact CB-CD1 3.99Å; P100-L116 HydrophobicContact CB-CD2 3.86Å
101L98.2Very high94.8Very high1 Ų141.4 Ų41.41%0.00521%0.209CC..Hα-helixtrans-64.8-35.5177.5-175.959.2000112.6S99 T105 M113 I117 A121 L123 P133 L149S99-L101 PolarHBondContact O-N 3.18Å; S99-L101 VanDerWaalsContact O-N 3.11Å; L101-T105 WeakPolarHBondContact O-CB 3.44Å; L101-T105 PolarHBondContact O-N 2.89Å; L101-T105 PolarHBondContact O-OG1 3.29Å; L101-M113 HydrophobicContact CD1-CB 4.06Å; L101-M113 HydrophobicContact CD1-CE 4.23Å; L101-M113 HydrophobicContact CD1-CG 4.01Å; L101-I117 HydrophobicContact CD1-CD1 4.14Å; L101-I117 HydrophobicContact CD1-CG1 3.88Å; L101-I117 HydrophobicContact CD2-CG1 4.17Å; L101-A121 HydrophobicContact CB-CB 4.18Å; L101-A121 HydrophobicContact CD2-CB 4.27Å; L101-L123 HydrophobicContact CD2-CD2 3.85Å; L101-P133 HydrophobicContact CD2-CB 4.32Å; L101-P133 HydrophobicContact CD2-CG 3.98Å; L101-P133 HydrophobicContact CG-CB 4.22Å; L101-P133 HydrophobicContact CG-CG 4.07Å; L101-L149 HydrophobicContact CD2-CD2 4.02Å; L101-L149 HydrophobicContact CG-CD2 4.48Å
102I97.3Very high94.9Very high0 Ų040.7 Ų40.70%021%0.205CC..Hα-helixtrans-63.6-48.2173.4-71.4-179.2000110.3S99 P100 A104 T105 Q106 E127 L131 P133 I136S99-I102 WeakPolarHBondContact O-CA 3.48Å; S99-I102 WeakPolarHBondContact O-CB 3.16Å; S99-I102 PolarHBondContact O-N 2.93Å; S99-I102 PolarHBondContact OG-N 3.36Å; P100-I102 VanDerWaalsContact C-N 3.33Å; P100-I102 PolarHBondContact O-N 3.49Å; I102-A104 PolarHBondContact O-N 3.33Å; I102-T105 CarbonylContact O-C 3.58Å; I102-T105 WeakPolarHBondContact O-CA 3.2Å; I102-T105 WeakPolarHBondContact O-CB 3.25Å; I102-T105 PolarHBondContact O-N 2.87Å; I102-T105 VanDerWaalsContact O-N 3.1Å; I102-Q106 HydrophobicContact CG2-CG 4.34Å; I102-Q106 WeakPolarHBondContact O-CG 3.48Å; I102-Q106 PolarHBondContact O-N 3.4Å; I102-E127 HydrophobicContact CD1-CB 3.73Å; I102-E127 HydrophobicContact CD1-CG 4.1Å; I102-L131 WeakPolarHBondContact CD1-O 3.44Å; I102-P133 HydrophobicContact CG1-CB 4.44Å; I102-P133 HydrophobicContact CG1-CG 3.8Å; I102-I136 HydrophobicContact CG2-CG1 4.32Å
103Y97.4Very high95Very high9 Ų938.3 Ų38.34%0.03519%0.192CC..Hα-helixtrans-62.9-41.8179.7-60.6-61.9000112.5Q66 C70 L74 S95 W97 G98 S99 P100 T105 Q106 N107Q66-Y103 PolarHBondContact NE2-OH 2.87Å; C70-Y103 HydrophobicContact CB-CD2 3.8Å; C70-Y103 HydrophobicContact CB-CE2 3.67Å; L74-Y103 HydrophobicContact CB-CG 4.46Å; L74-Y103 HydrophobicContact CD1-CD1 4.2Å; S95-Y103 PolarHBondContact OG-OH 3.18Å; S95-Y103 VanDerWaalsContact OG-OH 3.09Å; W97-Y103 WeakPolarHBondContact CB-OH 3.39Å; G98-Y103 WeakPolarHBondContact O-CE2 3.18Å; S99-Y103 VanDerWaalsContact O-CD2 3.31Å; S99-Y103 WeakPolarHBondContact O-CD2 3.09Å; S99-Y103 PolarHBondContact O-N 3.27Å; P100-Y103 PolarHBondContact O-N 3.34Å; Y103-T105 VanDerWaalsContact C-N 3.27Å; Y103-T105 PolarHBondContact O-N 2.86Å; Y103-Q106 WeakPolarHBondContact O-CB 3.45Å; Y103-Q106 PolarHBondContact O-N 2.98Å; Y103-N107 PolarHBondContact O-N 3.11Å
104A98.2Very high95.2Very high0 Ų041.8 Ų41.80%021%0.206CC..Hα-helixtrans-61.8-36.1173.600000112.3A73 P100 I102 N107 E108 S109 A112 M113 L116A73-A104 HydrophobicContact CB-CB 4.14Å; A73-A104 WeakPolarHBondContact O-CA 3.16Å; A73-A104 PolarHBondContact O-N 3.03Å; P100-A104 PolarHBondContact O-N 3.05Å; I102-A104 PolarHBondContact O-N 3.33Å; A104-N107 PolarHBondContact O-N 3.27Å; A104-E108 PolarHBondContact O-N 3.48Å; A104-E108 VanDerWaalsContact O-N 3.13Å; A104-S109 PolarHBondContact O-N 3.11Å; A104-S109 VanDerWaalsContact O-N 3.15Å; A104-A112 HydrophobicContact CB-CB 3.9Å; A104-M113 HydrophobicContact CB-CG 3.86Å; A104-L116 HydrophobicContact CB-CD1 3.79Å
105T98Very high95.8Very high0 Ų038.3 Ų38.30%018%0.183CC..Hα-helixtrans-69.1-40.6175.3-54.10000111.3L101 I102 Y103 N107 E108 M113 I136 A137 F142L101-T105 WeakPolarHBondContact O-CB 3.44Å; L101-T105 PolarHBondContact O-N 2.89Å; L101-T105 PolarHBondContact O-OG1 3.29Å; I102-T105 CarbonylContact O-C 3.58Å; I102-T105 WeakPolarHBondContact O-CA 3.2Å; I102-T105 WeakPolarHBondContact O-CB 3.25Å; I102-T105 PolarHBondContact O-N 2.87Å; I102-T105 VanDerWaalsContact O-N 3.1Å; Y103-T105 VanDerWaalsContact C-N 3.27Å; Y103-T105 PolarHBondContact O-N 2.86Å; T105-N107 VanDerWaalsContact C-N 3.29Å; T105-N107 PolarHBondContact O-N 3.42Å; T105-E108 PolarHBondContact O-N 2.9Å; T105-E108 VanDerWaalsContact O-N 3.08Å; T105-M113 HydrophobicContact CG2-CE 4.45Å; T105-M113 WeakPolarHBondContact OG1-CE 3.48Å; T105-I136 HydrophobicContact CG2-CB 4.18Å; T105-I136 HydrophobicContact CG2-CG2 4.03Å; T105-A137 HydrophobicContact CG2-CB 3.76Å; T105-F142 HydrophobicContact CG2-CD1 4.31Å
106Q96.9Very high96.4Very high69 Ų6937.1 Ų37.132%0.32218%0.175SC..Hα-helixtrans-62.3-37.5174.2-70.9173.6-20.900111.6I102 Y103 E108 I136 R140I102-Q106 HydrophobicContact CG2-CG 4.34Å; I102-Q106 WeakPolarHBondContact O-CG 3.48Å; I102-Q106 PolarHBondContact O-N 3.4Å; Y103-Q106 WeakPolarHBondContact O-CB 3.45Å; Y103-Q106 PolarHBondContact O-N 2.98Å; Q106-E108 VanDerWaalsContact C-N 3.27Å; Q106-E108 PolarHBondContact O-N 3.25Å; Q106-I136 HydrophobicContact CG-CG2 3.71Å; Q106-R140 PolarHBondContact O-NH1 2.75Å; Q106-R140 PolarHBondContact O-NH2 2.85Å
107N97Very high97Very high69 Ų6930.6 Ų30.637%0.36915%0.15SC..Hα-helixtrans-72.9-15.4174.3-172.3-88.8000113.7L74 G76 Y103 A104 T105 S109L74-N107 PolarHBondContact O-ND2 3.49Å; G76-N107 VanDerWaalsContact CA-OD1 3.22Å; G76-N107 WeakPolarHBondContact CA-OD1 3.43Å; Y103-N107 PolarHBondContact O-N 3.11Å; A104-N107 PolarHBondContact O-N 3.27Å; T105-N107 VanDerWaalsContact C-N 3.29Å; T105-N107 PolarHBondContact O-N 3.42Å; N107-S109 PolarHBondContact O-N 2.81Å; N107-S109 WeakPolarHBondContact OD1-CB 3.5Å
108E97.8Very high97.3Very high80 Ų8030.9 Ų30.937%0.37416%0.16SC..THydrogen-bonded Turntrans64.122-171.9-51.2-175.6-167.800114.7A104 T105 Q106 I110 R140 F142A104-E108 PolarHBondContact O-N 3.48Å; A104-E108 VanDerWaalsContact O-N 3.13Å; T105-E108 PolarHBondContact O-N 2.9Å; T105-E108 VanDerWaalsContact O-N 3.08Å; Q106-E108 VanDerWaalsContact C-N 3.27Å; Q106-E108 PolarHBondContact O-N 3.25Å; E108-I110 PolarHBondContact O-N 2.97Å; E108-I110 VanDerWaalsContact O-N 3.15Å; E108-R140 VanDerWaalsContact CD-NH1 3.25Å; E108-R140 IonicContact OE1-CZ 3.31Å; E108-R140 IonicContact OE1-NH1 2.59Å; E108-R140 PolarHBondContact OE1-NH1 3.25Å; E108-R140 IonicContact OE1-NH2 3.41Å; E108-R140 PolarHBondContact OE1-NH2 2.93Å; E108-F142 VanDerWaalsContact C-CZ 3.46Å; E108-F142 HydrophobicContact CB-CD1 4.28Å; E108-F142 HydrophobicContact CB-CD2 4.04Å; E108-F142 HydrophobicContact CB-CE1 4.07Å; E108-F142 HydrophobicContact CB-CE2 3.83Å; E108-F142 HydrophobicContact CB-CG 4.26Å; E108-F142 HydrophobicContact CB-CZ 3.83Å; E108-F142 HydrophobicContact CG-CB 4.46Å; E108-F142 HydrophobicContact CG-CD1 4.23Å; E108-F142 HydrophobicContact CG-CD2 4.19Å; E108-F142 HydrophobicContact CG-CE1 4.49Å; E108-F142 HydrophobicContact CG-CE2 4.47Å; E108-F142 HydrophobicContact CG-CG 4.06Å; E108-F142 WeakPolarHBondContact O-CZ 3.4Å
109S97.8Very high97.5Very high20 Ų2032.8 Ų32.814%0.1418%0.175CC..  trans-84.795.5179.5179.50000111.2G76 A104 N107 N111 A112 M113G76-S109 PolarHBondContact O-OG 3.32Å; A104-S109 PolarHBondContact O-N 3.11Å; A104-S109 VanDerWaalsContact O-N 3.15Å; N107-S109 PolarHBondContact O-N 2.81Å; N107-S109 WeakPolarHBondContact OD1-CB 3.5Å; S109-N111 PolarHBondContact O-N 2.87Å; S109-A112 PolarHBondContact O-N 3.29Å; S109-A112 VanDerWaalsContact OG-CB 3.28Å; S109-A112 WeakPolarHBondContact OG-CB 3.22Å; S109-A112 PolarHBondContact OG-N 3.08Å; S109-M113 WeakPolarHBondContact O-CG 3.38Å; S109-M113 PolarHBondContact O-N 3.26Å
110I97.8Very high97.5Very high33 Ų3334.3 Ų34.317%0.16919%0.193CC..Hα-helixtrans-54-40.7174-68.5-60.8000111.7E108 M113 K114 F142 A144 L148E108-I110 PolarHBondContact O-N 2.97Å; E108-I110 VanDerWaalsContact O-N 3.15Å; I110-M113 HydrophobicContact CD1-SD 4.5Å; I110-M113 PolarHBondContact O-N 3.23Å; I110-K114 HydrophobicContact CG2-CD 3.96Å; I110-K114 VanDerWaalsContact CG2-CE 3.45Å; I110-K114 HydrophobicContact CG2-CG 4.35Å; I110-K114 WeakPolarHBondContact O-CB 3.34Å; I110-K114 WeakPolarHBondContact O-CG 3.42Å; I110-K114 PolarHBondContact O-N 2.93Å; I110-F142 HydrophobicContact CD1-CE1 3.93Å; I110-F142 HydrophobicContact CD1-CE2 3.75Å; I110-F142 HydrophobicContact CD1-CZ 3.18Å; I110-F142 HydrophobicContact CG1-CE2 3.96Å; I110-F142 HydrophobicContact CG1-CZ 3.56Å; I110-A144 VanDerWaalsContact CD1-C 3.48Å; I110-A144 HydrophobicContact CD1-CB 3.6Å; I110-A144 HydrophobicContact CG1-CB 3.96Å; I110-L148 HydrophobicContact CD1-CD2 4.36Å; I110-L148 HydrophobicContact CG2-CD2 4.41Å
111N98.2Very high97.5Very high103 Ų10334.8 Ų34.855%0.55120%0.197SC*.Hα-helixtrans-67.5-41.8-178.8-68.9-27.7000111.4A78 S109 K114 V115A78-N111 HydrophobicContact CB-CB 3.86Å; S109-N111 PolarHBondContact O-N 2.87Å; N111-K114 PolarHBondContact O-N 3Å; N111-V115 WeakPolarHBondContact O-CG2 3.24Å; N111-V115 PolarHBondContact O-N 3.19Å; N111-V115 VanDerWaalsContact O-N 3.13Å
112A98.5Very high97.3Very high0 Ų037 Ų370%021%0.212CC..Hα-helixtrans-63-44.5174.300000111.5I81 A104 S109 K114 V115 L116I81-A112 HydrophobicContact CD1-CB 3.53Å; A104-A112 HydrophobicContact CB-CB 3.9Å; S109-A112 PolarHBondContact O-N 3.29Å; S109-A112 VanDerWaalsContact OG-CB 3.28Å; S109-A112 WeakPolarHBondContact OG-CB 3.22Å; S109-A112 PolarHBondContact OG-N 3.08Å; A112-K114 PolarHBondContact O-N 2.82Å; A112-V115 PolarHBondContact O-N 2.98Å; A112-L116 WeakPolarHBondContact O-CG 3.17Å; A112-L116 PolarHBondContact O-N 3.48Å
113M98.5Very high97.3Very high0 Ų038.3 Ų38.30%022%0.219CC..Hα-helixtrans-58.9-46.5175.9-68.2176.971.800111.9L101 A104 T105 S109 I110 V115 L116 I117 F142 L148 L149L101-M113 HydrophobicContact CD1-CB 4.06Å; L101-M113 HydrophobicContact CD1-CE 4.23Å; L101-M113 HydrophobicContact CD1-CG 4.01Å; A104-M113 HydrophobicContact CB-CG 3.86Å; T105-M113 HydrophobicContact CG2-CE 4.45Å; T105-M113 WeakPolarHBondContact OG1-CE 3.48Å; S109-M113 WeakPolarHBondContact O-CG 3.38Å; S109-M113 PolarHBondContact O-N 3.26Å; I110-M113 HydrophobicContact CD1-SD 4.5Å; I110-M113 PolarHBondContact O-N 3.23Å; M113-V115 PolarHBondContact O-N 3.05Å; M113-L116 PolarHBondContact O-N 2.72Å; M113-I117 WeakPolarHBondContact O-CB 3.16Å; M113-I117 WeakPolarHBondContact O-CG1 3.46Å; M113-I117 PolarHBondContact O-N 3.28Å; M113-F142 HydrophobicContact SD-CE1 3.59Å; M113-F142 VanDerWaalsContact SD-CE1 3.59Å; M113-F142 HydrophobicContact SD-CZ 4.33Å; M113-L148 HydrophobicContact CB-CD2 3.69Å; M113-L148 HydrophobicContact CE-CD2 4.26Å; M113-L148 HydrophobicContact SD-CD2 4.44Å; M113-L149 HydrophobicContact CE-CD1 3.9Å; M113-L149 HydrophobicContact CE-CD2 3.87Å; M113-L149 HydrophobicContact CE-CG 3.65Å
114K97.8Very high97.2Very high81 Ų8141.2 Ų41.235%0.35224%0.236SC..Hα-helixtrans-56.6-50178-77.6171.6179.8167.90111.3I110 N111 A112 L116 I117 D118 L148I110-K114 HydrophobicContact CG2-CD 3.96Å; I110-K114 VanDerWaalsContact CG2-CE 3.45Å; I110-K114 HydrophobicContact CG2-CG 4.35Å; I110-K114 WeakPolarHBondContact O-CB 3.34Å; I110-K114 WeakPolarHBondContact O-CG 3.42Å; I110-K114 PolarHBondContact O-N 2.93Å; N111-K114 PolarHBondContact O-N 3Å; A112-K114 PolarHBondContact O-N 2.82Å; K114-L116 VanDerWaalsContact C-N 3.35Å; K114-L116 PolarHBondContact O-N 3.24Å; K114-I117 PolarHBondContact O-N 3.21Å; K114-D118 WeakPolarHBondContact O-CB 2.77Å; K114-D118 VanDerWaalsContact O-CG 3.22Å; K114-D118 PolarHBondContact O-N 2.89Å; K114-L148 HydrophobicContact CG-CD1 4.08Å; K114-L148 HydrophobicContact CG-CD2 3.9Å
115V97.9Very high96.9Very high36 Ų3643.2 Ų43.222%0.21825%0.25CC..Hα-helixtrans-59.8-44.7179.4174.80000111.3A78 I81 L85 N111 A112 M113 A119A78-V115 HydrophobicContact CB-CG2 4.15Å; I81-V115 HydrophobicContact CB-CG1 4.29Å; I81-V115 HydrophobicContact CG2-CB 4.36Å; I81-V115 HydrophobicContact CG2-CG1 3.62Å; L85-V115 HydrophobicContact CD1-CG1 3.7Å; N111-V115 WeakPolarHBondContact O-CG2 3.24Å; N111-V115 PolarHBondContact O-N 3.19Å; N111-V115 VanDerWaalsContact O-N 3.13Å; A112-V115 PolarHBondContact O-N 2.98Å; M113-V115 PolarHBondContact O-N 3.05Å; V115-A119 VanDerWaalsContact O-CB 3.3Å; V115-A119 WeakPolarHBondContact O-CB 3.15Å; V115-A119 PolarHBondContact O-N 3.36Å
116L98.2Very high96.6Very high0 Ų047.1 Ų47.10%028%0.275CS..Hα-helixtrans-64.9-45.8178.4-72.1169.4000112.3I69 A73 I81 V91 P100 A104 A112 M113 K114 A119 G120 A121I69-L116 HydrophobicContact CD1-CD2 3.91Å; I69-L116 HydrophobicContact CG1-CD2 4.24Å; A73-L116 HydrophobicContact CB-CD1 4.1Å; I81-L116 HydrophobicContact CD1-CD1 4.19Å; I81-L116 HydrophobicContact CD1-CG 4.19Å; I81-L116 HydrophobicContact CG2-CD2 3.66Å; I81-L116 HydrophobicContact CG2-CG 4Å; V91-L116 HydrophobicContact CG2-CD2 4Å; P100-L116 HydrophobicContact CB-CD1 3.99Å; P100-L116 HydrophobicContact CB-CD2 3.86Å; A104-L116 HydrophobicContact CB-CD1 3.79Å; A112-L116 WeakPolarHBondContact O-CG 3.17Å; A112-L116 PolarHBondContact O-N 3.48Å; M113-L116 PolarHBondContact O-N 2.72Å; K114-L116 VanDerWaalsContact C-N 3.35Å; K114-L116 PolarHBondContact O-N 3.24Å; L116-A119 CarbonylContact O-C 3.56Å; L116-A119 PolarHBondContact O-N 3.26Å; L116-G120 PolarHBondContact O-N 3.18Å; L116-A121 HydrophobicContact CB-CB 3.95Å; L116-A121 WeakPolarHBondContact O-CB 3.4Å; L116-A121 PolarHBondContact O-N 2.97Å
117I97.1Very high96.4Very high19 Ų1944.8 Ų44.810%0.09726%0.264CS..Hα-helixtrans-63.2-45.4179.7-68.1169.3000110.5L101 M113 K114 A119 G120 L123 L148 L149 K152L101-I117 HydrophobicContact CD1-CD1 4.14Å; L101-I117 HydrophobicContact CD1-CG1 3.88Å; L101-I117 HydrophobicContact CD2-CG1 4.17Å; M113-I117 WeakPolarHBondContact O-CB 3.16Å; M113-I117 WeakPolarHBondContact O-CG1 3.46Å; M113-I117 PolarHBondContact O-N 3.28Å; K114-I117 PolarHBondContact O-N 3.21Å; I117-A119 PolarHBondContact O-N 3.07Å; I117-G120 PolarHBondContact O-N 3.07Å; I117-L123 HydrophobicContact CB-CD2 4.46Å; I117-L123 HydrophobicContact CD1-CD2 3.96Å; I117-L123 HydrophobicContact CG1-CD2 3.68Å; I117-L123 HydrophobicContact CG2-CD2 4.07Å; I117-L148 HydrophobicContact CD1-CD2 4.15Å; I117-L148 HydrophobicContact CD1-CG 4.06Å; I117-L149 HydrophobicContact CD1-CD2 4.35Å; I117-K152 HydrophobicContact CD1-CG 4.29Å; I117-K152 HydrophobicContact CG2-CB 3.97Å; I117-K152 HydrophobicContact CG2-CD 3.76Å; I117-K152 HydrophobicContact CG2-CG 3.82Å
118D95Very high96.1Very high113 Ų11349.5 Ų49.560%0.60428%0.276SS*.Hα-helixtrans-66.6-25.1179.2-67-16.9000111.6K114 G120 K152K114-D118 WeakPolarHBondContact O-CB 2.77Å; K114-D118 VanDerWaalsContact O-CG 3.22Å; K114-D118 PolarHBondContact O-N 2.89Å; D118-G120 VanDerWaalsContact C-N 3.32Å; D118-K152 IonicContact OD1-NZ 3.88Å; D118-K152 PolarHBondContact OD1-NZ 2.9Å
119A96.6Very high95.8Very high43 Ų4350.2 Ų50.236%0.35528%0.283SS..THydrogen-bonded Turntrans-81.8-1.7171.600000114.6L85 V91 V115 L116 I117L85-A119 HydrophobicContact CD1-CB 3.58Å; L85-A119 HydrophobicContact CD2-CB 3.86Å; L85-A119 HydrophobicContact CG-CB 4.38Å; V91-A119 HydrophobicContact CG2-CB 4.03Å; V115-A119 VanDerWaalsContact O-CB 3.3Å; V115-A119 WeakPolarHBondContact O-CB 3.15Å; V115-A119 PolarHBondContact O-N 3.36Å; L116-A119 CarbonylContact O-C 3.56Å; L116-A119 PolarHBondContact O-N 3.26Å; I117-A119 PolarHBondContact O-N 3.07Å
120G95.5Very high95.5Very high45 Ų4550.4 Ų50.446%0.46429%0.288SS..THydrogen-bonded Turntrans96.124.8177.500000115.3N92 L116 I117 D118N92-G120 PolarHBondContact ND2-O 3.04Å; L116-G120 PolarHBondContact O-N 3.18Å; I117-G120 PolarHBondContact O-N 3.07Å; D118-G120 VanDerWaalsContact C-N 3.32Å
121A97.1Very high95.4Very high9 Ų950.1 Ų50.17%0.07429%0.287CS..  trans-59.3138.117200000111.9V91 N92 L101 L116 L123V91-A121 HydrophobicContact CG2-CB 4.01Å; N92-A121 WeakPolarHBondContact OD1-CA 3.37Å; L101-A121 HydrophobicContact CB-CB 4.18Å; L101-A121 HydrophobicContact CD2-CB 4.27Å; L116-A121 HydrophobicContact CB-CB 3.95Å; L116-A121 WeakPolarHBondContact O-CB 3.4Å; L116-A121 PolarHBondContact O-N 2.97Å; A121-L123 PolarHBondContact O-N 3.01Å
122S95.7Very high95.2Very high47 Ų4745.4 Ų45.433%0.32926%0.262SS..  trans-73.1114.2179.8-63.90000110.8N92 N124 S125N92-S122 PolarHBondContact OD1-N 3.36Å; N92-S122 PolarHBondContact OD1-OG 3.38Å; S122-N124 VanDerWaalsContact C-N 3.29Å; S122-N124 PolarHBondContact O-N 3.26Å; S122-S125 WeakPolarHBondContact CB-OG 3.46Å
123L96Very high95.1Very high28 Ų2845.4 Ų45.415%0.14726%0.262CS..THydrogen-bonded Turntrans-69.1-23.7-173.1-59.7-179.7000114.5L101 I117 A121 P133 L149 K152 A154L101-L123 HydrophobicContact CD2-CD2 3.85Å; I117-L123 HydrophobicContact CB-CD2 4.46Å; I117-L123 HydrophobicContact CD1-CD2 3.96Å; I117-L123 HydrophobicContact CG1-CD2 3.68Å; I117-L123 HydrophobicContact CG2-CD2 4.07Å; A121-L123 PolarHBondContact O-N 3.01Å; L123-P133 WeakPolarHBondContact O-CD 3.4Å; L123-P133 WeakPolarHBondContact O-CG 3.25Å; L123-L149 HydrophobicContact CD2-CD2 4.3Å; L123-K152 HydrophobicContact CD1-CB 4.12Å; L123-K152 WeakPolarHBondContact CD1-O 3.33Å; L123-A154 HydrophobicContact CB-CB 4.2Å
124N94.9Very high95.1Very high71 Ų7145.4 Ų45.438%0.3826%0.262SS..THydrogen-bonded Turntrans-117.76.2-171.4-59.4-45.3000113.3S122 P126 D155S122-N124 VanDerWaalsContact C-N 3.29Å; S122-N124 PolarHBondContact O-N 3.26Å; N124-P126 WeakPolarHBondContact O-CD 3.28Å; N124-D155 PolarHBondContact OD1-N 2.9Å
125S92.5Very high95.1Very high42 Ų4241.6 Ų41.629%0.29425%0.245SC..  trans-65.9122.6-178.8-69.70000110.6S122 P133S122-S125 WeakPolarHBondContact CB-OG 3.46Å; S125-P133 WeakPolarHBondContact O-CD 3.44Å
126P92.6Very high95Very high82 Ų8240.3 Ų40.353%0.53224%0.237SC..  trans-79.8150.6-178.332.1-34.8000112.2N124 G130 L131N124-P126 WeakPolarHBondContact O-CD 3.28Å; P126-G130 VanDerWaalsContact CB-O 3.25Å; P126-G130 WeakPolarHBondContact CB-O 3.49Å; P126-L131 WeakPolarHBondContact CA-O 3.18Å
127E92.6Very high95Very high19 Ų1940.3 Ų40.39%0.08924%0.237CC..  trans-80.3-177.616160.368.2-120.700112.1W97 I102 N129 G130 L131W97-E127 WeakPolarHBondContact O-CB 3.47Å; I102-E127 HydrophobicContact CD1-CB 3.73Å; I102-E127 HydrophobicContact CD1-CG 4.1Å; E127-N129 VanDerWaalsContact C-N 3.3Å; E127-N129 PolarHBondContact O-N 2.72Å; E127-N129 VanDerWaalsContact OE1-C 3.23Å; E127-N129 WeakPolarHBondContact OE1-CA 3.46Å; E127-N129 WeakPolarHBondContact OE1-CB 3.38Å; E127-N129 PolarHBondContact OE1-N 3.03Å; E127-N129 PolarHBondContact OE2-N 2.67Å; E127-N129 PolarHBondContact OE2-ND2 3.43Å; E127-G130 VanDerWaalsContact O-CA 3.3Å; E127-G130 WeakPolarHBondContact O-CA 3.38Å; E127-G130 PolarHBondContact O-N 2.82Å; E127-G130 PolarHBondContact OE1-N 3.44Å; E127-L131 HydrophobicContact CG-CB 4.02Å; E127-L131 PolarHBondContact N-O 2.94Å; E127-L131 VanDerWaalsContact OE1-CB 3.27Å; E127-L131 WeakPolarHBondContact OE1-CB 3.38Å; E127-L131 WeakPolarHBondContact OE1-CG 3.46Å; E127-L131 PolarHBondContact OE1-N 3.44Å
128R90.9Very high95Very high168 Ų16839.4 Ų39.463%0.63423%0.232SC*.THydrogen-bonded Turntrans-55.4-35.5-173.9-170.2172.8178.2172.71.3115Y96Y96-R128 WeakPolarHBondContact O-CB 3.49Å
129N90.6Very high95.1Very high95 Ų9538.4 Ų38.451%0.50822%0.224SC..THydrogen-bonded Turntrans-82.6-2.1175.8-51.3-68000112.9E127 V160E127-N129 VanDerWaalsContact C-N 3.3Å; E127-N129 PolarHBondContact O-N 2.72Å; E127-N129 VanDerWaalsContact OE1-C 3.23Å; E127-N129 WeakPolarHBondContact OE1-CA 3.46Å; E127-N129 WeakPolarHBondContact OE1-CB 3.38Å; E127-N129 PolarHBondContact OE1-N 3.03Å; E127-N129 PolarHBondContact OE2-N 2.67Å; E127-N129 PolarHBondContact OE2-ND2 3.43Å; N129-V160 WeakPolarHBondContact O-CG1 3.36Å
130G92.4Very high95.1Very high24 Ų2441.5 Ų41.525%0.24723%0.226CC..  trans98-2.9177.800000114.3P126 E127 C132 V160P126-G130 VanDerWaalsContact CB-O 3.25Å; P126-G130 WeakPolarHBondContact CB-O 3.49Å; E127-G130 VanDerWaalsContact O-CA 3.3Å; E127-G130 WeakPolarHBondContact O-CA 3.38Å; E127-G130 PolarHBondContact O-N 2.82Å; E127-G130 PolarHBondContact OE1-N 3.44Å; G130-C132 PolarHBondContact O-N 3.1Å; G130-V160 WeakPolarHBondContact O-CG2 3.49Å
131L94.4Very high95.2Very high27 Ų2745.2 Ų45.214%0.14123%0.227CC..  trans-71.8115.9-174.7-60.1167.5000111.7I102 P126 E127 H135 I136 V160I102-L131 WeakPolarHBondContact CD1-O 3.44Å; P126-L131 WeakPolarHBondContact CA-O 3.18Å; E127-L131 HydrophobicContact CG-CB 4.02Å; E127-L131 PolarHBondContact N-O 2.94Å; E127-L131 VanDerWaalsContact OE1-CB 3.27Å; E127-L131 WeakPolarHBondContact OE1-CB 3.38Å; E127-L131 WeakPolarHBondContact OE1-CG 3.46Å; E127-L131 PolarHBondContact OE1-N 3.44Å; L131-H135 HydrophobicContact CB-CB 4.11Å; L131-H135 HydrophobicContact CD2-CB 3.65Å; L131-H135 HydrophobicContact CG-CB 4.46Å; L131-I136 HydrophobicContact CB-CD1 3.81Å; L131-I136 HydrophobicContact CB-CG1 4.32Å; L131-I136 HydrophobicContact CD1-CD1 3.8Å; L131-I136 HydrophobicContact CG-CD1 4.43Å; L131-V160 HydrophobicContact CD2-CG1 4.47Å; L131-V160 HydrophobicContact CD2-CG2 4.04Å
132C94.8Very high95.2Very high4 Ų445.6 Ų45.63%0.02723%0.227CC..  trans-70.6156.4166.7112.10000110.7G130 L134 H135 I136 C158G130-C132 PolarHBondContact O-N 3.1Å; C132-L134 PolarHBondContact O-N 3.38Å; C132-H135 PolarHBondContact N-ND1 2.98Å; C132-H135 WeakPolarHBondContact O-CB 3.19Å; C132-H135 PolarHBondContact O-N 3.27Å; C132-I136 PolarHBondContact O-N 3Å; C132-C158 HydrophobicContact CB-CB 4.18Å; C132-C158 WeakPolarHBondContact CB-SG 3.45Å; C132-C158 WeakPolarHBondContact SG-CB 3.32Å; C132-C158 CovalentContact SG-SG 2.11Å; C132-C158 PolarHBondContact SG-SG 3.5Å
133P96.9Very high95.2Very high0 Ų047 Ų470%023%0.225CC..Hα-helixtrans-48.4-37.8179.4-29.331.9000114.4L101 I102 L123 S125 H135 I136 A137 L149L101-P133 HydrophobicContact CD2-CB 4.32Å; L101-P133 HydrophobicContact CD2-CG 3.98Å; L101-P133 HydrophobicContact CG-CB 4.22Å; L101-P133 HydrophobicContact CG-CG 4.07Å; I102-P133 HydrophobicContact CG1-CB 4.44Å; I102-P133 HydrophobicContact CG1-CG 3.8Å; L123-P133 WeakPolarHBondContact O-CD 3.4Å; L123-P133 WeakPolarHBondContact O-CG 3.25Å; S125-P133 WeakPolarHBondContact O-CD 3.44Å; P133-H135 VanDerWaalsContact C-N 3.31Å; P133-H135 PolarHBondContact O-N 2.95Å; P133-I136 PolarHBondContact O-N 3.1Å; P133-A137 PolarHBondContact O-N 3.34Å; P133-L149 HydrophobicContact CB-CD1 3.93Å; P133-L149 HydrophobicContact CB-CD2 4Å
134L98Very high95.2Very high0 Ų047 Ų470%023%0.23CC..Hα-helixtrans-61-39.1177.8-176.960.1000112.2C132 A137 I138 V146 L149 L150 P165 L181C132-L134 PolarHBondContact O-N 3.38Å; L134-A137 PolarHBondContact O-N 3.23Å; L134-I138 HydrophobicContact CD1-CD1 4.17Å; L134-I138 HydrophobicContact CG-CD1 3.99Å; L134-I138 WeakPolarHBondContact O-CD1 3.4Å; L134-I138 VanDerWaalsContact O-CG1 3.23Å; L134-I138 WeakPolarHBondContact O-CG1 3.31Å; L134-I138 PolarHBondContact O-N 3.12Å; L134-V146 HydrophobicContact CD1-CB 4.48Å; L134-V146 HydrophobicContact CD1-CG1 3.92Å; L134-L149 HydrophobicContact CB-CD1 4.38Å; L134-L149 HydrophobicContact CD1-CB 4.39Å; L134-L150 HydrophobicContact CD1-CD2 4.23Å; L134-L150 HydrophobicContact CD1-CG 4.07Å; L134-L150 HydrophobicContact CD2-CD2 3.82Å; L134-P165 HydrophobicContact CD2-CB 4.05Å; L134-P165 HydrophobicContact CD2-CG 3.76Å; L134-P165 HydrophobicContact CG-CB 4.34Å; L134-P165 HydrophobicContact CG-CG 4.3Å; L134-L181 HydrophobicContact CD2-CD2 4.21Å
135H97.2Very high95.3Very high1 Ų143.7 Ų43.71%0.00521%0.211CC..Hα-helixtrans-64.8-42.1176.2-60.2106.9000112.1L131 C132 P133 I138 Q139 C158 V160 M168L131-H135 HydrophobicContact CB-CB 4.11Å; L131-H135 HydrophobicContact CD2-CB 3.65Å; L131-H135 HydrophobicContact CG-CB 4.46Å; C132-H135 PolarHBondContact N-ND1 2.98Å; C132-H135 WeakPolarHBondContact O-CB 3.19Å; C132-H135 PolarHBondContact O-N 3.27Å; P133-H135 VanDerWaalsContact C-N 3.31Å; P133-H135 PolarHBondContact O-N 2.95Å; H135-I138 PolarHBondContact O-N 3.48Å; H135-Q139 WeakPolarHBondContact O-CG 3.33Å; H135-Q139 PolarHBondContact O-N 3.45Å; H135-C158 PolarHBondContact CE1-O 3.28Å; H135-C158 PolarHBondContact CE1-SG 2.94Å; H135-C158 PolarHBondContact ND1-SG 2.9Å; H135-C158 PolarHBondContact NE2-O 2.83Å; H135-V160 WeakPolarHBondContact CE1-CG2 3.49Å; H135-M168 HydrophobicContact CB-SD 3.95Å; H135-M168 PolarHBondContact CD2-SD 3.26Å
136I96.6Very high95.6Very high9 Ų941.7 Ų41.75%0.04620%0.197CC..Hα-helixtrans-62.8-45.6178.4-58-61.4000110.2I102 T105 Q106 L131 C132 P133 I138 Q139 R140I102-I136 HydrophobicContact CG2-CG1 4.32Å; T105-I136 HydrophobicContact CG2-CB 4.18Å; T105-I136 HydrophobicContact CG2-CG2 4.03Å; Q106-I136 HydrophobicContact CG-CG2 3.71Å; L131-I136 HydrophobicContact CB-CD1 3.81Å; L131-I136 HydrophobicContact CB-CG1 4.32Å; L131-I136 HydrophobicContact CD1-CD1 3.8Å; L131-I136 HydrophobicContact CG-CD1 4.43Å; C132-I136 PolarHBondContact O-N 3Å; P133-I136 PolarHBondContact O-N 3.1Å; I136-I138 VanDerWaalsContact C-N 3.29Å; I136-I138 PolarHBondContact O-N 3.15Å; I136-Q139 PolarHBondContact O-N 2.94Å; I136-R140 WeakPolarHBondContact O-CG 3.15Å; I136-R140 PolarHBondContact O-N 3.41Å; I136-R140 VanDerWaalsContact O-N 3.15Å
137A97.9Very high95.7Very high0 Ų039.3 Ų39.30%018%0.178CC..Hα-helixtrans-58.6-41.617600000111.7T105 P133 L134 R140 R141 F142 V146 L149T105-A137 HydrophobicContact CG2-CB 3.76Å; P133-A137 PolarHBondContact O-N 3.34Å; L134-A137 PolarHBondContact O-N 3.23Å; A137-R140 PolarHBondContact O-N 2.92Å; A137-R141 PolarHBondContact O-N 3.47Å; A137-R141 VanDerWaalsContact O-N 3.16Å; A137-F142 HydrophobicContact CB-CB 4.45Å; A137-F142 HydrophobicContact CB-CD1 4.46Å; A137-F142 PolarHBondContact O-N 2.9Å; A137-V146 HydrophobicContact CB-CG2 3.68Å; A137-L149 HydrophobicContact CB-CD1 4.11Å
138I97.9Very high95.9Very high0 Ų039 Ų390%018%0.177CC..Hα-helixtrans-68.7-46.4178-67.4165.8000111.9L134 H135 I136 R140 R141 V146 P165 M168 L172 I177 L181L134-I138 HydrophobicContact CD1-CD1 4.17Å; L134-I138 HydrophobicContact CG-CD1 3.99Å; L134-I138 WeakPolarHBondContact O-CD1 3.4Å; L134-I138 VanDerWaalsContact O-CG1 3.23Å; L134-I138 WeakPolarHBondContact O-CG1 3.31Å; L134-I138 PolarHBondContact O-N 3.12Å; H135-I138 PolarHBondContact O-N 3.48Å; I136-I138 VanDerWaalsContact C-N 3.29Å; I136-I138 PolarHBondContact O-N 3.15Å; I138-R140 PolarHBondContact O-N 3.35Å; I138-R140 VanDerWaalsContact O-N 3.16Å; I138-R141 PolarHBondContact O-N 2.67Å; I138-V146 HydrophobicContact CG1-CG1 4.5Å; I138-V146 HydrophobicContact CG1-CG2 3.8Å; I138-P165 HydrophobicContact CD1-CB 3.52Å; I138-M168 HydrophobicContact CG2-CB 3.83Å; I138-L172 HydrophobicContact CG2-CD1 3.86Å; I138-L172 WeakPolarHBondContact O-CD1 3.35Å; I138-I177 HydrophobicContact CD1-CG2 4.25Å; I138-I177 HydrophobicContact CG1-CG2 3.84Å; I138-I177 HydrophobicContact CG2-CG2 4.22Å; I138-L181 HydrophobicContact CD1-CD1 4.01Å; I138-L181 HydrophobicContact CD1-CD2 4.33Å
139Q96.4Very high96.1Very high92 Ų9231 Ų3143%0.4315%0.147SC..Hα-helixtrans-54.9-35.2177.8-79-178.5-31.800112.3H135 I136 M168H135-Q139 WeakPolarHBondContact O-CG 3.33Å; H135-Q139 PolarHBondContact O-N 3.45Å; I136-Q139 PolarHBondContact O-N 2.94Å; Q139-M168 HydrophobicContact CG-CE 3.22Å
140R96.8Very high96.3Very high108 Ų10826.6 Ų26.641%0.40812%0.124SC..THydrogen-bonded Turntrans-94.83.8-177.9-58.4-174.571.4-96.1-10.7112.9Q106 E108 I136 A137 I138 F142Q106-R140 PolarHBondContact O-NH1 2.75Å; Q106-R140 PolarHBondContact O-NH2 2.85Å; E108-R140 VanDerWaalsContact CD-NH1 3.25Å; E108-R140 IonicContact OE1-CZ 3.31Å; E108-R140 IonicContact OE1-NH1 2.59Å; E108-R140 PolarHBondContact OE1-NH1 3.25Å; E108-R140 IonicContact OE1-NH2 3.41Å; E108-R140 PolarHBondContact OE1-NH2 2.93Å; I136-R140 WeakPolarHBondContact O-CG 3.15Å; I136-R140 PolarHBondContact O-N 3.41Å; I136-R140 VanDerWaalsContact O-N 3.15Å; A137-R140 PolarHBondContact O-N 2.92Å; I138-R140 PolarHBondContact O-N 3.35Å; I138-R140 VanDerWaalsContact O-N 3.16Å; R140-F142 PolarHBondContact O-N 3.47Å
141R96.9Very high96.3Very high124 Ų12427 Ų2747%0.46812%0.122SC..THydrogen-bonded Turntrans50.737.9-174.6-64.8-178.4171.8160.6-3.9112.7A137 I138 Y143 L172 D174A137-R141 PolarHBondContact O-N 3.47Å; A137-R141 VanDerWaalsContact O-N 3.16Å; I138-R141 PolarHBondContact O-N 2.67Å; R141-Y143 VanDerWaalsContact C-N 3.34Å; R141-Y143 HydrophobicContact CB-CE2 4.21Å; R141-Y143 WeakPolarHBondContact O-CD2 3.18Å; R141-Y143 WeakPolarHBondContact O-CE2 3.31Å; R141-Y143 PolarHBondContact O-N 3.09Å; R141-L172 PolarHBondContact NH2-O 3.24Å; R141-D174 IonicContact NE-OD2 2.74Å
142F97.1Very high96.2Very high17 Ų1729.2 Ų29.28%0.07513%0.131CC..  trans-83.976.6-179.5179.6-147.8000110.6T105 E108 I110 M113 A137 R140 A144 G145 V146T105-F142 HydrophobicContact CG2-CD1 4.31Å; E108-F142 VanDerWaalsContact C-CZ 3.46Å; E108-F142 HydrophobicContact CB-CD1 4.28Å; E108-F142 HydrophobicContact CB-CD2 4.04Å; E108-F142 HydrophobicContact CB-CE1 4.07Å; E108-F142 HydrophobicContact CB-CE2 3.83Å; E108-F142 HydrophobicContact CB-CG 4.26Å; E108-F142 HydrophobicContact CB-CZ 3.83Å; E108-F142 HydrophobicContact CG-CB 4.46Å; E108-F142 HydrophobicContact CG-CD1 4.23Å; E108-F142 HydrophobicContact CG-CD2 4.19Å; E108-F142 HydrophobicContact CG-CE1 4.49Å; E108-F142 HydrophobicContact CG-CE2 4.47Å; E108-F142 HydrophobicContact CG-CG 4.06Å; E108-F142 WeakPolarHBondContact O-CZ 3.4Å; I110-F142 HydrophobicContact CD1-CE1 3.93Å; I110-F142 HydrophobicContact CD1-CE2 3.75Å; I110-F142 HydrophobicContact CD1-CZ 3.18Å; I110-F142 HydrophobicContact CG1-CE2 3.96Å; I110-F142 HydrophobicContact CG1-CZ 3.56Å; M113-F142 HydrophobicContact SD-CE1 3.59Å; M113-F142 VanDerWaalsContact SD-CE1 3.59Å; M113-F142 HydrophobicContact SD-CZ 4.33Å; A137-F142 HydrophobicContact CB-CB 4.45Å; A137-F142 HydrophobicContact CB-CD1 4.46Å; A137-F142 PolarHBondContact O-N 2.9Å; R140-F142 PolarHBondContact O-N 3.47Å; F142-A144 HydrophobicContact CE2-CB 4.1Å; F142-A144 PolarHBondContact O-N 3.06Å; F142-G145 WeakPolarHBondContact O-CA 3.21Å; F142-G145 PolarHBondContact O-N 3.44Å; F142-V146 WeakPolarHBondContact O-CG2 3.35Å; F142-V146 PolarHBondContact O-N 3.14Å
143Y96.3Very high96.1Very high76 Ų7629.3 Ų29.330%0.29813%0.132SC..Hα-helixtrans-51.9-47-172.3-58.4-81.1000113.7R141 G145 V146 Y147 D174 D176 I177 F262R141-Y143 VanDerWaalsContact C-N 3.34Å; R141-Y143 HydrophobicContact CB-CE2 4.21Å; R141-Y143 WeakPolarHBondContact O-CD2 3.18Å; R141-Y143 WeakPolarHBondContact O-CE2 3.31Å; R141-Y143 PolarHBondContact O-N 3.09Å; Y143-G145 VanDerWaalsContact C-N 3.29Å; Y143-G145 PolarHBondContact O-N 3.44Å; Y143-V146 PolarHBondContact O-N 3.49Å; Y143-Y147 PolarHBondContact O-N 3.31Å; Y143-D174 WeakPolarHBondContact CE1-OD2 3.36Å; Y143-D174 PolarHBondContact OH-OD2 3.25Å; Y143-D176 HydrophobicContact CD1-CB 4.19Å; Y143-D176 HydrophobicContact CE1-CB 3.93Å; Y143-I177 HydrophobicContact CD1-CD1 4.23Å; Y143-I177 HydrophobicContact CD1-CG1 3.75Å; Y143-I177 HydrophobicContact CE1-CD1 3.99Å; Y143-I177 HydrophobicContact CE1-CG1 3.7Å; Y143-F262 HydrophobicContact CD1-CD1 4.49Å; Y143-F262 HydrophobicContact CD1-CE1 4.39Å; Y143-F262 HydrophobicContact CG-CD1 4.36Å
144A96.1Very high96Very high29 Ų2929.4 Ų29.424%0.2413%0.133CC..Hα-helixtrans-62.7-36.5178.700000112I110 F142 L148I110-A144 VanDerWaalsContact CD1-C 3.48Å; I110-A144 HydrophobicContact CD1-CB 3.6Å; I110-A144 HydrophobicContact CG1-CB 3.96Å; F142-A144 HydrophobicContact CE2-CB 4.1Å; F142-A144 PolarHBondContact O-N 3.06Å; A144-L148 VanDerWaalsContact O-CB 3.28Å; A144-L148 WeakPolarHBondContact O-CB 3.32Å; A144-L148 PolarHBondContact O-N 3.4Å
145G97.3Very high95.8Very high0 Ų032.7 Ų32.70%015%0.151CC..Hα-helixtrans-69.7-41.8175.600000112.5F142 Y143 L148 L149F142-G145 WeakPolarHBondContact O-CA 3.21Å; F142-G145 PolarHBondContact O-N 3.44Å; Y143-G145 VanDerWaalsContact C-N 3.29Å; Y143-G145 PolarHBondContact O-N 3.44Å; G145-L148 PolarHBondContact O-N 3.26Å; G145-L149 WeakPolarHBondContact O-CB 3.49Å; G145-L149 VanDerWaalsContact O-CG 3.25Å; G145-L149 WeakPolarHBondContact O-CG 3.49Å; G145-L149 PolarHBondContact O-N 2.97Å
146V97.6Very high95.8Very high0 Ų033.4 Ų33.40%016%0.156CC..Hα-helixtrans-58.6-49.9173.7178.30000110.2L134 A137 I138 F142 Y143 L149 L150 I177 L180L134-V146 HydrophobicContact CD1-CB 4.48Å; L134-V146 HydrophobicContact CD1-CG1 3.92Å; A137-V146 HydrophobicContact CB-CG2 3.68Å; I138-V146 HydrophobicContact CG1-CG1 4.5Å; I138-V146 HydrophobicContact CG1-CG2 3.8Å; F142-V146 WeakPolarHBondContact O-CG2 3.35Å; F142-V146 PolarHBondContact O-N 3.14Å; Y143-V146 PolarHBondContact O-N 3.49Å; V146-L149 PolarHBondContact O-N 3.06Å; V146-L150 HydrophobicContact CG1-CD1 3.79Å; V146-L150 WeakPolarHBondContact O-CB 3.5Å; V146-L150 WeakPolarHBondContact O-CG 3.31Å; V146-L150 PolarHBondContact O-N 2.9Å; V146-I177 HydrophobicContact CG1-CG2 4.49Å; V146-I177 HydrophobicContact CG2-CD1 4.43Å; V146-L180 HydrophobicContact CB-CD2 4.27Å; V146-L180 HydrophobicContact CG1-CD2 3.7Å
147Y95.7Very high95.7Very high32 Ų3235.4 Ų35.413%0.12517%0.166CC..Hα-helixtrans-60.6-46.3176.9177.5-91.5000112.1Y143 L149 L150 S151 L180 F257 F260 V263Y143-Y147 PolarHBondContact O-N 3.31Å; Y147-L149 PolarHBondContact O-N 2.82Å; Y147-L150 PolarHBondContact O-N 2.9Å; Y147-S151 WeakPolarHBondContact O-CB 3.3Å; Y147-S151 PolarHBondContact O-N 3.07Å; Y147-S151 PolarHBondContact O-OG 3.3Å; Y147-L180 HydrophobicContact CD2-CD1 3.94Å; Y147-F257 HydrophobicContact CE2-CB 4.27Å; Y147-F257 PolarHBondContact OH-O 3.07Å; Y147-F260 HydrophobicContact CD2-CB 4.1Å; Y147-F260 HydrophobicContact CD2-CD2 4.48Å; Y147-F260 HydrophobicContact CD2-CG 4.49Å; Y147-F260 HydrophobicContact CE2-CB 4Å; Y147-F260 AromaticContact CE2-CD2 3.97Å; Y147-F260 HydrophobicContact CE2-CD2 3.97Å; Y147-F260 HydrophobicContact CE2-CG 4.32Å; Y147-V263 HydrophobicContact CD1-CG2 3.38Å; Y147-V263 HydrophobicContact CE1-CG2 3.57Å; Y147-V263 HydrophobicContact CG-CG2 4.06Å
148L95.1Very high95.5Very high14 Ų1435.9 Ų35.97%0.07317%0.169CC..Hα-helixtrans-59.6-46.8179.1178.162.5000111.5I110 M113 K114 I117 A144 G145 S151 K152I110-L148 HydrophobicContact CD1-CD2 4.36Å; I110-L148 HydrophobicContact CG2-CD2 4.41Å; M113-L148 HydrophobicContact CB-CD2 3.69Å; M113-L148 HydrophobicContact CE-CD2 4.26Å; M113-L148 HydrophobicContact SD-CD2 4.44Å; K114-L148 HydrophobicContact CG-CD1 4.08Å; K114-L148 HydrophobicContact CG-CD2 3.9Å; I117-L148 HydrophobicContact CD1-CD2 4.15Å; I117-L148 HydrophobicContact CD1-CG 4.06Å; A144-L148 VanDerWaalsContact O-CB 3.28Å; A144-L148 WeakPolarHBondContact O-CB 3.32Å; A144-L148 PolarHBondContact O-N 3.4Å; G145-L148 PolarHBondContact O-N 3.26Å; L148-S151 WeakPolarHBondContact CA-OG 3.23Å; L148-S151 PolarHBondContact O-OG 3.33Å; L148-S151 VanDerWaalsContact O-OG 3.06Å; L148-K152 HydrophobicContact CD1-CG 3.96Å; L148-K152 VanDerWaalsContact O-CB 3.3Å; L148-K152 WeakPolarHBondContact O-CB 3.42Å; L148-K152 WeakPolarHBondContact O-CG 3.19Å; L148-K152 PolarHBondContact O-N 3.18Å
149L96.6Very high94.9Very high0 Ų038.3 Ų38.30%020%0.195CC..Hα-helixtrans-63-49.2-179.6-72.7167.4000111.3L101 M113 I117 L123 P133 L134 A137 G145 V146 Y147 K152 G153 A154L101-L149 HydrophobicContact CD2-CD2 4.02Å; L101-L149 HydrophobicContact CG-CD2 4.48Å; M113-L149 HydrophobicContact CE-CD1 3.9Å; M113-L149 HydrophobicContact CE-CD2 3.87Å; M113-L149 HydrophobicContact CE-CG 3.65Å; I117-L149 HydrophobicContact CD1-CD2 4.35Å; L123-L149 HydrophobicContact CD2-CD2 4.3Å; P133-L149 HydrophobicContact CB-CD1 3.93Å; P133-L149 HydrophobicContact CB-CD2 4Å; L134-L149 HydrophobicContact CB-CD1 4.38Å; L134-L149 HydrophobicContact CD1-CB 4.39Å; A137-L149 HydrophobicContact CB-CD1 4.11Å; G145-L149 WeakPolarHBondContact O-CB 3.49Å; G145-L149 VanDerWaalsContact O-CG 3.25Å; G145-L149 WeakPolarHBondContact O-CG 3.49Å; G145-L149 PolarHBondContact O-N 2.97Å; V146-L149 PolarHBondContact O-N 3.06Å; Y147-L149 PolarHBondContact O-N 2.82Å; L149-K152 CarbonylContact O-C 3.58Å; L149-K152 PolarHBondContact O-N 2.86Å; L149-G153 PolarHBondContact O-N 3.24Å; L149-G153 VanDerWaalsContact O-N 3.07Å; L149-A154 HydrophobicContact CB-CB 3.89Å; L149-A154 VanDerWaalsContact O-CB 3.27Å; L149-A154 WeakPolarHBondContact O-CB 3.39Å; L149-A154 PolarHBondContact O-N 3.27Å
150L94.9Very high94.5Very high2 Ų234.8 Ų34.81%0.0118%0.179CC..Hα-helixtrans-64-44.4179.1-68.8171.9000112.1L134 V146 Y147 K152 G153 P156 L180 L181 F184 F231L134-L150 HydrophobicContact CD1-CD2 4.23Å; L134-L150 HydrophobicContact CD1-CG 4.07Å; L134-L150 HydrophobicContact CD2-CD2 3.82Å; V146-L150 HydrophobicContact CG1-CD1 3.79Å; V146-L150 WeakPolarHBondContact O-CB 3.5Å; V146-L150 WeakPolarHBondContact O-CG 3.31Å; V146-L150 PolarHBondContact O-N 2.9Å; Y147-L150 PolarHBondContact O-N 2.9Å; L150-K152 PolarHBondContact O-N 2.82Å; L150-G153 WeakPolarHBondContact O-CA 3.48Å; L150-G153 PolarHBondContact O-N 3.47Å; L150-P156 HydrophobicContact CD2-CB 3.84Å; L150-L180 HydrophobicContact CD1-CD2 4.16Å; L150-L180 HydrophobicContact CD1-CG 3.83Å; L150-L181 HydrophobicContact CD1-CD2 4.06Å; L150-L181 HydrophobicContact CD2-CD2 4.26Å; L150-F184 HydrophobicContact CB-CB 4.26Å; L150-F184 HydrophobicContact CB-CD1 3.84Å; L150-F184 HydrophobicContact CB-CD2 3.86Å; L150-F184 HydrophobicContact CB-CE1 4.1Å; L150-F184 HydrophobicContact CB-CE2 4.12Å; L150-F184 HydrophobicContact CB-CG 3.71Å; L150-F184 HydrophobicContact CB-CZ 4.22Å; L150-F184 HydrophobicContact CD1-CB 4.29Å; L150-F184 HydrophobicContact CD1-CD2 4.01Å; L150-F184 HydrophobicContact CD1-CG 4.24Å; L150-F184 HydrophobicContact CD2-CB 4.12Å; L150-F184 HydrophobicContact CD2-CG 4.49Å; L150-F184 HydrophobicContact CG-CB 4.47Å; L150-F184 HydrophobicContact CG-CG 4.37Å; L150-F184 WeakPolarHBondContact O-CE1 3.27Å; L150-F231 WeakPolarHBondContact O-CZ 3.17Å
151S91.7Very high93.9Very high31 Ų3138.7 Ų38.722%0.21719%0.194CC..Hα-helixtrans-67.8-20.6177.265.20000113.9Y147 L148 F231Y147-S151 WeakPolarHBondContact O-CB 3.3Å; Y147-S151 PolarHBondContact O-N 3.07Å; Y147-S151 PolarHBondContact O-OG 3.3Å; L148-S151 WeakPolarHBondContact CA-OG 3.23Å; L148-S151 PolarHBondContact O-OG 3.33Å; L148-S151 VanDerWaalsContact O-OG 3.06Å; S151-F231 WeakPolarHBondContact O-CE2 3.19Å; S151-F231 VanDerWaalsContact O-CZ 3.23Å; S151-F231 WeakPolarHBondContact O-CZ 3.01Å
152K91.9Very high93.3Very high75 Ų7538 Ų3833%0.32620%0.199SC..THydrogen-bonded Turntrans-90.6-3.7169.4-66.8-75.5-173.9160.90112.7I117 D118 L123 L148 L149 L150I117-K152 HydrophobicContact CD1-CG 4.29Å; I117-K152 HydrophobicContact CG2-CB 3.97Å; I117-K152 HydrophobicContact CG2-CD 3.76Å; I117-K152 HydrophobicContact CG2-CG 3.82Å; D118-K152 IonicContact OD1-NZ 3.88Å; D118-K152 PolarHBondContact OD1-NZ 2.9Å; L123-K152 HydrophobicContact CD1-CB 4.12Å; L123-K152 WeakPolarHBondContact CD1-O 3.33Å; L148-K152 HydrophobicContact CD1-CG 3.96Å; L148-K152 VanDerWaalsContact O-CB 3.3Å; L148-K152 WeakPolarHBondContact O-CB 3.42Å; L148-K152 WeakPolarHBondContact O-CG 3.19Å; L148-K152 PolarHBondContact O-N 3.18Å; L149-K152 CarbonylContact O-C 3.58Å; L149-K152 PolarHBondContact O-N 2.86Å; L150-K152 PolarHBondContact O-N 2.82Å
153G92.4Very high93.1Very high5 Ų538.3 Ų38.35%0.05220%0.202CC..THydrogen-bonded Turntrans90.233.617400000114.8L149 L150 R235L149-G153 PolarHBondContact O-N 3.24Å; L149-G153 VanDerWaalsContact O-N 3.07Å; L150-G153 WeakPolarHBondContact O-CA 3.48Å; L150-G153 PolarHBondContact O-N 3.47Å; G153-R235 VanDerWaalsContact C-NH1 3.33Å; G153-R235 PolarHBondContact O-NH1 3.23Å
154A95Very high93.1Very high3 Ų335.1 Ų35.13%0.02519%0.191CC..  trans-57.1147.5158.700000109.4L123 L149 P156L123-A154 HydrophobicContact CB-CB 4.2Å; L149-A154 HydrophobicContact CB-CB 3.89Å; L149-A154 VanDerWaalsContact O-CB 3.27Å; L149-A154 WeakPolarHBondContact O-CB 3.39Å; L149-A154 PolarHBondContact O-N 3.27Å; A154-P156 VanDerWaalsContact O-CD 3.27Å; A154-P156 WeakPolarHBondContact O-CD 3.37Å
155D95.1Very high93.1Very high68 Ų6833.7 Ų33.736%0.36418%0.179SC..  trans-73.4114178.1177.59.1000109.4N124 N157 C158N124-D155 PolarHBondContact OD1-N 2.9Å; D155-N157 PolarHBondContact O-N 3.43Å; D155-N157 VanDerWaalsContact O-N 3.08Å; D155-N157 WeakPolarHBondContact OD1-CA 3.1Å; D155-N157 WeakPolarHBondContact OD1-CB 3.44Å; D155-N157 PolarHBondContact OD1-N 3.2Å; D155-C158 HydrophobicContact CB-CB 4.2Å; D155-C158 WeakPolarHBondContact O-CB 3.46Å; D155-C158 PolarHBondContact O-N 3.23Å
156P95.9Very high93.1Very high17 Ų1733.7 Ų33.711%0.1118%0.179CC..THydrogen-bonded Turntrans-64.9-12178.531.2-39.3000112.8L150 A154 P165 L181 F184 A186L150-P156 HydrophobicContact CD2-CB 3.84Å; A154-P156 VanDerWaalsContact O-CD 3.27Å; A154-P156 WeakPolarHBondContact O-CD 3.37Å; P156-P165 VanDerWaalsContact O-CD 3.3Å; P156-P165 WeakPolarHBondContact O-CD 3.43Å; P156-P165 VanDerWaalsContact O-CG 3.3Å; P156-P165 WeakPolarHBondContact O-CG 3.34Å; P156-L181 HydrophobicContact CB-CD2 4.49Å; P156-F184 WeakPolarHBondContact CG-O 3.3Å; P156-A186 HydrophobicContact CB-CB 4.14Å
157N95.7Very high93.1Very high50 Ų5033.7 Ų33.727%0.26718%0.179SC..THydrogen-bonded Turntrans-109.513.7177.7-60.3-68.3000112.6D155 G159 G185 A186 S187D155-N157 PolarHBondContact O-N 3.43Å; D155-N157 VanDerWaalsContact O-N 3.08Å; D155-N157 WeakPolarHBondContact OD1-CA 3.1Å; D155-N157 WeakPolarHBondContact OD1-CB 3.44Å; D155-N157 PolarHBondContact OD1-N 3.2Å; N157-G159 PolarHBondContact O-N 3.02Å; N157-G185 PolarHBondContact ND2-O 3.39Å; N157-G185 VanDerWaalsContact ND2-O 3.1Å; N157-A186 WeakPolarHBondContact OD1-CA 3.25Å; N157-S187 PolarHBondContact OD1-N 2.85Å
158C92.9Very high93.2Very high10 Ų1033.5 Ų33.57%0.06818%0.18CC..  trans-52.8114.2179.577.10000109.2C132 H135 D155 P165C132-C158 HydrophobicContact CB-CB 4.18Å; C132-C158 WeakPolarHBondContact CB-SG 3.45Å; C132-C158 WeakPolarHBondContact SG-CB 3.32Å; C132-C158 CovalentContact SG-SG 2.11Å; C132-C158 PolarHBondContact SG-SG 3.5Å; H135-C158 PolarHBondContact CE1-O 3.28Å; H135-C158 PolarHBondContact CE1-SG 2.94Å; H135-C158 PolarHBondContact ND1-SG 2.9Å; H135-C158 PolarHBondContact NE2-O 2.83Å; D155-C158 HydrophobicContact CB-CB 4.2Å; D155-C158 WeakPolarHBondContact O-CB 3.46Å; D155-C158 PolarHBondContact O-N 3.23Å; C158-P165 VanDerWaalsContact O-CD 3.26Å; C158-P165 WeakPolarHBondContact O-CD 3.27Å
159G86.4Confident93.3Very high52 Ų5232.9 Ų32.954%0.53618%0.176SC..  trans-96.8136.4-171.300000113.4N157N157-G159 PolarHBondContact O-N 3.02Å
160V86.9Confident93.3Very high17 Ų1732.9 Ų32.910%0.10318%0.177CC..BIsolated β-bridgetrans-114111.3166.5-173.20000109.7N129 G130 L131 H135 L162 T163N129-V160 WeakPolarHBondContact O-CG1 3.36Å; G130-V160 WeakPolarHBondContact O-CG2 3.49Å; L131-V160 HydrophobicContact CD2-CG1 4.47Å; L131-V160 HydrophobicContact CD2-CG2 4.04Å; H135-V160 WeakPolarHBondContact CE1-CG2 3.49Å; V160-L162 PolarHBondContact O-N 3.45Å; V160-T163 PolarHBondContact N-O 3.32Å; V160-T163 VanDerWaalsContact O-CB 3.28Å; V160-T163 WeakPolarHBondContact O-CB 3.42Å; V160-T163 PolarHBondContact O-N 3.02Å
161R85Confident93.4Very high191 Ų19137.4 Ų37.472%0.72120%0.196SC*.THydrogen-bonded Turntrans48.846.5-174.7-56177.8-179.8179.1-0.4111.1T163R161-T163 PolarHBondContact O-N 3.31Å; R161-T163 VanDerWaalsContact O-N 3.12Å
162L84Confident93.7Very high110 Ų11038.4 Ų38.458%0.57620%0.199SC*.THydrogen-bonded Turntrans67.3-6.9-174.9-52.1172.7000116.2V160 T164 K193V160-L162 PolarHBondContact O-N 3.45Å; L162-T164 PolarHBondContact O-N 3.36Å; L162-K193 HydrophobicContact CD1-CB 4.38Å
163T91.8Very high93.9Very high22 Ų2238.3 Ų38.314%0.13520%0.202CC..BIsolated β-bridgetrans-75.5119.5173.1-55.80000109.1V160 R161 H167 M168V160-T163 PolarHBondContact N-O 3.32Å; V160-T163 VanDerWaalsContact O-CB 3.28Å; V160-T163 WeakPolarHBondContact O-CB 3.42Å; V160-T163 PolarHBondContact O-N 3.02Å; R161-T163 PolarHBondContact O-N 3.31Å; R161-T163 VanDerWaalsContact O-N 3.12Å; T163-H167 HydrophobicContact CG2-CB 3.69Å; T163-M168 HydrophobicContact CG2-CG 4.06Å
164T96Very high94.2Very high9 Ų938.5 Ų38.56%0.05520%0.202CC..  trans-88.6165.1177.170.40000111.7L162 L166 H167 M168L162-T164 PolarHBondContact O-N 3.36Å; T164-L166 PolarHBondContact O-N 2.67Å; T164-H167 PolarHBondContact N-ND1 3.08Å; T164-H167 WeakPolarHBondContact O-CB 3.45Å; T164-H167 PolarHBondContact O-N 2.83Å; T164-H167 PolarHBondContact OG1-N 2.98Å; T164-H167 PolarHBondContact OG1-ND1 3.1Å; T164-M168 PolarHBondContact O-N 3.15Å
165P97.5Very high94.2Very high0 Ų041 Ų410%022%0.217CC..Hα-helixtrans-54.5-35.7173.9-29.841.1000112.2L134 I138 P156 C158 M168 A169 L181L134-P165 HydrophobicContact CD2-CB 4.05Å; L134-P165 HydrophobicContact CD2-CG 3.76Å; L134-P165 HydrophobicContact CG-CB 4.34Å; L134-P165 HydrophobicContact CG-CG 4.3Å; I138-P165 HydrophobicContact CD1-CB 3.52Å; P156-P165 VanDerWaalsContact O-CD 3.3Å; P156-P165 WeakPolarHBondContact O-CD 3.43Å; P156-P165 VanDerWaalsContact O-CG 3.3Å; P156-P165 WeakPolarHBondContact O-CG 3.34Å; C158-P165 VanDerWaalsContact O-CD 3.26Å; C158-P165 WeakPolarHBondContact O-CD 3.27Å; P165-M168 WeakPolarHBondContact O-CB 3.45Å; P165-M168 PolarHBondContact O-N 3.03Å; P165-M168 VanDerWaalsContact O-N 3.15Å; P165-A169 PolarHBondContact O-N 3.38Å; P165-L181 HydrophobicContact CB-CD1 4Å; P165-L181 HydrophobicContact CB-CD2 3.75Å
166L97.6Very high94.2Very high0 Ų041.1 Ų41.10%022%0.217CC..Hα-helixtrans-68-35178.9-164.661.6000112.8T164 M168 A169 A170 T178 L181 L182 A186 S187 P188 P198 L212T164-L166 PolarHBondContact O-N 2.67Å; L166-M168 VanDerWaalsContact C-N 3.29Å; L166-M168 PolarHBondContact O-N 3.25Å; L166-A169 PolarHBondContact O-N 3Å; L166-A170 VanDerWaalsContact O-CB 3.31Å; L166-A170 WeakPolarHBondContact O-CB 3.35Å; L166-A170 PolarHBondContact O-N 3.35Å; L166-T178 HydrophobicContact CD1-CG2 3.89Å; L166-L181 HydrophobicContact CB-CD1 4.44Å; L166-L181 HydrophobicContact CD1-CB 4.03Å; L166-L181 HydrophobicContact CD1-CD1 4.12Å; L166-L182 HydrophobicContact CD1-CD2 4.41Å; L166-L182 HydrophobicContact CD1-CG 4.31Å; L166-L182 HydrophobicContact CD2-CD2 3.84Å; L166-A186 HydrophobicContact CB-CB 4.29Å; L166-A186 HydrophobicContact CD2-CB 4.18Å; L166-S187 WeakPolarHBondContact CD2-O 3.41Å; L166-P188 HydrophobicContact CD2-CB 4.32Å; L166-P198 HydrophobicContact CB-CB 4.47Å; L166-P198 HydrophobicContact CB-CG 4.05Å; L166-P198 HydrophobicContact CD2-CB 4.32Å; L166-P198 HydrophobicContact CD2-CG 3.99Å; L166-P198 HydrophobicContact CG-CB 3.95Å; L166-P198 HydrophobicContact CG-CG 3.89Å; L166-L212 HydrophobicContact CD1-CD2 4.27Å; L166-L212 HydrophobicContact CD2-CD2 4.07Å; L166-L212 HydrophobicContact CG-CD2 4.29Å
167H97.4Very high94.3Very high0 Ų040.3 Ų40.30%021%0.212CC..Hα-helixtrans-62-38.7170.8-70.994.3000111.7T163 T164 K171 S190 R196 Y201T163-H167 HydrophobicContact CG2-CB 3.69Å; T164-H167 PolarHBondContact N-ND1 3.08Å; T164-H167 WeakPolarHBondContact O-CB 3.45Å; T164-H167 PolarHBondContact O-N 2.83Å; T164-H167 PolarHBondContact OG1-N 2.98Å; T164-H167 PolarHBondContact OG1-ND1 3.1Å; H167-K171 WeakPolarHBondContact O-CB 3.18Å; H167-K171 VanDerWaalsContact O-CG 3.27Å; H167-K171 WeakPolarHBondContact O-CG 3.41Å; H167-K171 PolarHBondContact O-N 3.4Å; H167-S190 PolarHBondContact CE1-O 3.16Å; H167-S190 PolarHBondContact NE2-O 3.16Å; H167-R196 PolarHBondContact NE2-O 3.48Å; H167-Y201 AromaticContact CD2-CE2 3.84Å
168M96.9Very high94.4Very high28 Ų2837.9 Ų37.914%0.13820%0.199CC..Hα-helixtrans-68.7-45.1178.6-59-168.877.700111.4H135 I138 Q139 T163 T164 P165 L166 A170 K171 L172H135-M168 HydrophobicContact CB-SD 3.95Å; H135-M168 PolarHBondContact CD2-SD 3.26Å; I138-M168 HydrophobicContact CG2-CB 3.83Å; Q139-M168 HydrophobicContact CG-CE 3.22Å; T163-M168 HydrophobicContact CG2-CG 4.06Å; T164-M168 PolarHBondContact O-N 3.15Å; P165-M168 WeakPolarHBondContact O-CB 3.45Å; P165-M168 PolarHBondContact O-N 3.03Å; P165-M168 VanDerWaalsContact O-N 3.15Å; L166-M168 VanDerWaalsContact C-N 3.29Å; L166-M168 PolarHBondContact O-N 3.25Å; M168-A170 VanDerWaalsContact C-N 3.3Å; M168-A170 PolarHBondContact O-N 3.21Å; M168-K171 PolarHBondContact O-N 3.04Å; M168-L172 WeakPolarHBondContact O-CB 3.46Å; M168-L172 VanDerWaalsContact O-CG 3.31Å; M168-L172 WeakPolarHBondContact O-CG 3.23Å; M168-L172 PolarHBondContact O-N 3.07Å
169A97.6Very high94.5Very high0 Ų041.9 Ų41.90%021%0.213CC..Hα-helixtrans-58.8-42.5175.400000112P165 L166 L172 N173 D174 I177 L181P165-A169 PolarHBondContact O-N 3.38Å; L166-A169 PolarHBondContact O-N 3Å; A169-L172 CarbonylContact O-C 3.58Å; A169-L172 PolarHBondContact O-N 3.44Å; A169-N173 PolarHBondContact O-N 2.9Å; A169-D174 PolarHBondContact O-N 2.86Å; A169-D174 VanDerWaalsContact O-N 3.12Å; A169-I177 HydrophobicContact CB-CB 4.29Å; A169-I177 HydrophobicContact CB-CG2 3.65Å; A169-L181 HydrophobicContact CB-CD1 3.82Å
170A97.4Very high94.9Very high1 Ų139.5 Ų39.51%0.00819%0.188CC..Hα-helixtrans-62.9-46.3175.500000112.7L166 M168 L172 N173 P198 V202 L212L166-A170 VanDerWaalsContact O-CB 3.31Å; L166-A170 WeakPolarHBondContact O-CB 3.35Å; L166-A170 PolarHBondContact O-N 3.35Å; M168-A170 VanDerWaalsContact C-N 3.3Å; M168-A170 PolarHBondContact O-N 3.21Å; A170-L172 VanDerWaalsContact C-N 3.26Å; A170-L172 PolarHBondContact O-N 3.39Å; A170-N173 WeakPolarHBondContact O-CA 3.36Å; A170-N173 PolarHBondContact O-N 2.96Å; A170-P198 HydrophobicContact CB-CB 4.03Å; A170-P198 WeakPolarHBondContact CB-O 3.18Å; A170-V202 HydrophobicContact CB-CG2 3.63Å; A170-L212 HydrophobicContact CB-CD1 4.3Å
171K96.6Very high95.3Very high97 Ų9738.7 Ų38.742%0.42218%0.184SC..Hα-helixtrans-60-35.3174.8-76.2168.9178.41730112.7H167 M168 Y201H167-K171 WeakPolarHBondContact O-CB 3.18Å; H167-K171 VanDerWaalsContact O-CG 3.27Å; H167-K171 WeakPolarHBondContact O-CG 3.41Å; H167-K171 PolarHBondContact O-N 3.4Å; M168-K171 PolarHBondContact O-N 3.04Å; K171-Y201 HydrophobicContact CD-CD1 4.19Å; K171-Y201 HydrophobicContact CD-CE1 4.23Å; K171-Y201 HydrophobicContact CD-CG 4.47Å; K171-Y201 WeakPolarHBondContact CE-OH 3.17Å; K171-Y201 HydrophobicContact CG-CD1 3.63Å; K171-Y201 HydrophobicContact CG-CD2 4.4Å; K171-Y201 HydrophobicContact CG-CE1 4.18Å; K171-Y201 HydrophobicContact CG-CG 3.72Å; K171-Y201 PolarHBondContact NZ-OH 3.03Å
172L97Very high95.8Very high52 Ų5231 Ų3127%0.27216%0.156SC..THydrogen-bonded Turntrans-79.3-8.6175.9-68.4173.8000113.3I138 R141 M168 A169 A170 D174I138-L172 HydrophobicContact CG2-CD1 3.86Å; I138-L172 WeakPolarHBondContact O-CD1 3.35Å; R141-L172 PolarHBondContact NH2-O 3.24Å; M168-L172 WeakPolarHBondContact O-CB 3.46Å; M168-L172 VanDerWaalsContact O-CG 3.31Å; M168-L172 WeakPolarHBondContact O-CG 3.23Å; M168-L172 PolarHBondContact O-N 3.07Å; A169-L172 CarbonylContact O-C 3.58Å; A169-L172 PolarHBondContact O-N 3.44Å; A170-L172 VanDerWaalsContact C-N 3.26Å; A170-L172 PolarHBondContact O-N 3.39Å; L172-D174 VanDerWaalsContact C-N 3.25Å; L172-D174 HydrophobicContact CB-CB 4.33Å; L172-D174 PolarHBondContact O-N 2.8Å
173N97.3Very high96.2Very high72 Ų7227.7 Ų27.739%0.38514%0.138SC..THydrogen-bonded Turntrans51.342.6-173.6-162.745.7000113A169 A170 V202 S206 V208A169-N173 PolarHBondContact O-N 2.9Å; A170-N173 WeakPolarHBondContact O-CA 3.36Å; A170-N173 PolarHBondContact O-N 2.96Å; N173-V202 WeakPolarHBondContact OD1-CG1 3.45Å; N173-S206 VanDerWaalsContact CG-OG 3.32Å; N173-S206 PolarHBondContact ND2-OG 3.39Å; N173-S206 VanDerWaalsContact OD1-CB 3.31Å; N173-S206 WeakPolarHBondContact OD1-CB 3.31Å; N173-S206 PolarHBondContact OD1-OG 2.67Å; N173-V208 WeakPolarHBondContact OD1-CG2 3.48Å
174D97.1Very high96.2Very high9 Ų927.2 Ų27.25%0.04813%0.134CC..  trans-100.9103.6-174.7-168-49.2000111.3R141 Y143 A169 L172 D176 I177 T178R141-D174 IonicContact NE-OD2 2.74Å; Y143-D174 WeakPolarHBondContact CE1-OD2 3.36Å; Y143-D174 PolarHBondContact OH-OD2 3.25Å; A169-D174 PolarHBondContact O-N 2.86Å; A169-D174 VanDerWaalsContact O-N 3.12Å; L172-D174 VanDerWaalsContact C-N 3.25Å; L172-D174 HydrophobicContact CB-CB 4.33Å; L172-D174 PolarHBondContact O-N 2.8Å; D174-D176 VanDerWaalsContact C-N 3.34Å; D174-D176 PolarHBondContact O-N 3.35Å; D174-D176 PolarHBondContact OD1-N 3.46Å; D174-D176 VanDerWaalsContact OD1-N 3.15Å; D174-I177 HydrophobicContact CB-CB 4.26Å; D174-I177 HydrophobicContact CB-CD1 4.46Å; D174-I177 PolarHBondContact OD1-N 3.03Å; D174-T178 VanDerWaalsContact O-CB 3.31Å; D174-T178 WeakPolarHBondContact O-CB 3.2Å; D174-T178 PolarHBondContact O-N 2.89Å; D174-T178 PolarHBondContact O-OG1 3.29Å
175V96.2Very high96.1Very high57 Ų5728.1 Ų28.135%0.34515%0.145SC..Hα-helixtrans-65.5-35.8-175.768.60000113.1Y179 P207 V208 L211V175-Y179 VanDerWaalsContact O-CB 3.24Å; V175-Y179 WeakPolarHBondContact O-CB 3.23Å; V175-Y179 PolarHBondContact O-N 3Å; V175-P207 HydrophobicContact CG2-CB 4.23Å; V175-V208 HydrophobicContact CB-CG2 3.98Å; V175-L211 HydrophobicContact CG2-CD2 4.3Å
176D95.7Very high96Very high69 Ų6928.4 Ų28.437%0.36915%0.147SC..Hα-helixtrans-72.4-46.5-175.5-70.9-41.9000110.6Y143 D174 Y179 L180 F262Y143-D176 HydrophobicContact CD1-CB 4.19Å; Y143-D176 HydrophobicContact CE1-CB 3.93Å; D174-D176 VanDerWaalsContact C-N 3.34Å; D174-D176 PolarHBondContact O-N 3.35Å; D174-D176 PolarHBondContact OD1-N 3.46Å; D174-D176 VanDerWaalsContact OD1-N 3.15Å; D176-Y179 PolarHBondContact O-N 2.69Å; D176-L180 VanDerWaalsContact O-CB 3.26Å; D176-L180 WeakPolarHBondContact O-CB 3.24Å; D176-L180 PolarHBondContact O-N 3.49Å; D176-F262 HydrophobicContact CB-CE1 3.92Å; D176-F262 HydrophobicContact CB-CE2 4.49Å; D176-F262 HydrophobicContact CB-CZ 3.54Å
177I97.3Very high95.8Very high0 Ų030 Ų300%016%0.158CC..Hα-helixtrans-65.8-42.3174.6-66.5177.2000110.5I138 Y143 V146 A169 D174 L180 L181I138-I177 HydrophobicContact CD1-CG2 4.25Å; I138-I177 HydrophobicContact CG1-CG2 3.84Å; I138-I177 HydrophobicContact CG2-CG2 4.22Å; Y143-I177 HydrophobicContact CD1-CD1 4.23Å; Y143-I177 HydrophobicContact CD1-CG1 3.75Å; Y143-I177 HydrophobicContact CE1-CD1 3.99Å; Y143-I177 HydrophobicContact CE1-CG1 3.7Å; V146-I177 HydrophobicContact CG1-CG2 4.49Å; V146-I177 HydrophobicContact CG2-CD1 4.43Å; A169-I177 HydrophobicContact CB-CB 4.29Å; A169-I177 HydrophobicContact CB-CG2 3.65Å; D174-I177 HydrophobicContact CB-CB 4.26Å; D174-I177 HydrophobicContact CB-CD1 4.46Å; D174-I177 PolarHBondContact OD1-N 3.03Å; I177-L180 PolarHBondContact O-N 2.88Å; I177-L181 HydrophobicContact CG2-CD1 3.82Å; I177-L181 HydrophobicContact CG2-CG 4.26Å; I177-L181 WeakPolarHBondContact O-CB 3.29Å; I177-L181 VanDerWaalsContact O-CG 3.29Å; I177-L181 WeakPolarHBondContact O-CG 3.39Å; I177-L181 PolarHBondContact O-N 3.25Å
178T97.3Very high95.7Very high0 Ų031.2 Ų31.20%017%0.166CC..Hα-helixtrans-58.7-49176.2-670000111L166 D174 L180 L181 L182 V208 L211 L212L166-T178 HydrophobicContact CD1-CG2 3.89Å; D174-T178 VanDerWaalsContact O-CB 3.31Å; D174-T178 WeakPolarHBondContact O-CB 3.2Å; D174-T178 PolarHBondContact O-N 2.89Å; D174-T178 PolarHBondContact O-OG1 3.29Å; T178-L180 PolarHBondContact O-N 2.93Å; T178-L181 PolarHBondContact O-N 3.38Å; T178-L182 HydrophobicContact CG2-CD1 4.01Å; T178-L182 VanDerWaalsContact O-CG 3.3Å; T178-L182 WeakPolarHBondContact O-CG 3.26Å; T178-L182 PolarHBondContact O-N 2.91Å; T178-L182 VanDerWaalsContact O-N 3.08Å; T178-V208 HydrophobicContact CG2-CG1 4.1Å; T178-L211 HydrophobicContact CG2-CD2 3.74Å; T178-L211 HydrophobicContact CG2-CG 4.41Å; T178-L212 HydrophobicContact CG2-CD2 3.9Å; T178-L212 HydrophobicContact CG2-CG 4.11Å
179Y95Very high95.6Very high94 Ų9434.6 Ų34.637%0.36918%0.184SC..Hα-helixtrans-59.4-48.4178.6-177.8-112000111.2V175 D176 L181 L182 E183 L211 F260V175-Y179 VanDerWaalsContact O-CB 3.24Å; V175-Y179 WeakPolarHBondContact O-CB 3.23Å; V175-Y179 PolarHBondContact O-N 3Å; D176-Y179 PolarHBondContact O-N 2.69Å; Y179-L181 PolarHBondContact O-N 2.92Å; Y179-L182 PolarHBondContact O-N 3.14Å; Y179-E183 HydrophobicContact CD1-CG 4.3Å; Y179-E183 HydrophobicContact CD2-CG 4.37Å; Y179-E183 HydrophobicContact CE1-CG 3.94Å; Y179-E183 HydrophobicContact CE2-CG 3.96Å; Y179-E183 HydrophobicContact CG-CG 4.5Å; Y179-E183 VanDerWaalsContact O-CG 3.28Å; Y179-E183 WeakPolarHBondContact O-CG 3.35Å; Y179-E183 PolarHBondContact O-N 3.15Å; Y179-E183 PolarHBondContact OH-OE1 2.93Å; Y179-L211 HydrophobicContact CD2-CD1 4.23Å; Y179-L211 HydrophobicContact CD2-CD2 4.37Å; Y179-F260 HydrophobicContact CD1-CD1 4.34Å; Y179-F260 AromaticContact CD1-CE1 3.75Å; Y179-F260 HydrophobicContact CD1-CE1 3.75Å; Y179-F260 HydrophobicContact CE1-CD1 4.18Å; Y179-F260 AromaticContact CE1-CE1 3.42Å; Y179-F260 HydrophobicContact CE1-CE1 3.42Å; Y179-F260 VanDerWaalsContact CE1-CE1 3.42Å; Y179-F260 HydrophobicContact CE1-CZ 4.25Å
180L94.9Very high95.4Very high2 Ų236.2 Ų36.21%0.0120%0.195CC..Hα-helixtrans-60-45.2179.5-174.963.1000112.4V146 Y147 L150 D176 I177 T178 L182 E183 F184 F260V146-L180 HydrophobicContact CB-CD2 4.27Å; V146-L180 HydrophobicContact CG1-CD2 3.7Å; Y147-L180 HydrophobicContact CD2-CD1 3.94Å; L150-L180 HydrophobicContact CD1-CD2 4.16Å; L150-L180 HydrophobicContact CD1-CG 3.83Å; D176-L180 VanDerWaalsContact O-CB 3.26Å; D176-L180 WeakPolarHBondContact O-CB 3.24Å; D176-L180 PolarHBondContact O-N 3.49Å; I177-L180 PolarHBondContact O-N 2.88Å; T178-L180 PolarHBondContact O-N 2.93Å; L180-L182 PolarHBondContact O-N 2.95Å; L180-E183 PolarHBondContact O-N 3.44Å; L180-F184 HydrophobicContact CD1-CD2 3.82Å; L180-F184 HydrophobicContact CD1-CE2 3.58Å; L180-F184 HydrophobicContact CG-CD2 4.32Å; L180-F184 HydrophobicContact CG-CE2 4.45Å; L180-F184 WeakPolarHBondContact O-CD2 3.37Å; L180-F184 PolarHBondContact O-N 3.4Å; L180-F184 VanDerWaalsContact O-N 3.16Å; L180-F260 HydrophobicContact CD1-CD1 3.81Å; L180-F260 HydrophobicContact CD1-CD2 4.22Å; L180-F260 HydrophobicContact CD1-CE1 3.99Å; L180-F260 HydrophobicContact CD1-CE2 4.5Å; L180-F260 HydrophobicContact CD1-CG 3.95Å; L180-F260 HydrophobicContact CD1-CZ 4.38Å
181L96.7Very high95.3Very high0 Ų039.9 Ų39.90%022%0.217CC..Hα-helixtrans-60.1-44.9176.9-76.9169.9000112.2L134 I138 L150 P156 P165 L166 A169 I177 T178 Y179 E183 F184 G185 A186L134-L181 HydrophobicContact CD2-CD2 4.21Å; I138-L181 HydrophobicContact CD1-CD1 4.01Å; I138-L181 HydrophobicContact CD1-CD2 4.33Å; L150-L181 HydrophobicContact CD1-CD2 4.06Å; L150-L181 HydrophobicContact CD2-CD2 4.26Å; P156-L181 HydrophobicContact CB-CD2 4.49Å; P165-L181 HydrophobicContact CB-CD1 4Å; P165-L181 HydrophobicContact CB-CD2 3.75Å; L166-L181 HydrophobicContact CB-CD1 4.44Å; L166-L181 HydrophobicContact CD1-CB 4.03Å; L166-L181 HydrophobicContact CD1-CD1 4.12Å; A169-L181 HydrophobicContact CB-CD1 3.82Å; I177-L181 HydrophobicContact CG2-CD1 3.82Å; I177-L181 HydrophobicContact CG2-CG 4.26Å; I177-L181 WeakPolarHBondContact O-CB 3.29Å; I177-L181 VanDerWaalsContact O-CG 3.29Å; I177-L181 WeakPolarHBondContact O-CG 3.39Å; I177-L181 PolarHBondContact O-N 3.25Å; T178-L181 PolarHBondContact O-N 3.38Å; Y179-L181 PolarHBondContact O-N 2.92Å; L181-E183 VanDerWaalsContact C-N 3.34Å; L181-E183 PolarHBondContact O-N 2.96Å; L181-F184 PolarHBondContact O-N 2.99Å; L181-G185 PolarHBondContact O-N 2.85Å; L181-A186 HydrophobicContact CB-CB 3.82Å; L181-A186 WeakPolarHBondContact O-CB 3.28Å; L181-A186 PolarHBondContact O-N 2.93Å
182L94.4Very high95.2Very high28 Ų2835.3 Ų35.315%0.14720%0.198CC..Hα-helixtrans-61.6-42.9177.7-69.7170.2000111.5L166 T178 Y179 L180 F184 G185 P188 L211 L212 V215L166-L182 HydrophobicContact CD1-CD2 4.41Å; L166-L182 HydrophobicContact CD1-CG 4.31Å; L166-L182 HydrophobicContact CD2-CD2 3.84Å; T178-L182 HydrophobicContact CG2-CD1 4.01Å; T178-L182 VanDerWaalsContact O-CG 3.3Å; T178-L182 WeakPolarHBondContact O-CG 3.26Å; T178-L182 PolarHBondContact O-N 2.91Å; T178-L182 VanDerWaalsContact O-N 3.08Å; Y179-L182 PolarHBondContact O-N 3.14Å; L180-L182 PolarHBondContact O-N 2.95Å; L182-F184 PolarHBondContact O-N 3.44Å; L182-G185 PolarHBondContact O-N 2.91Å; L182-P188 HydrophobicContact CD2-CB 4.17Å; L182-L211 HydrophobicContact CD1-CD1 4.25Å; L182-L211 HydrophobicContact CD1-CD2 4.14Å; L182-L211 HydrophobicContact CD1-CG 3.9Å; L182-L212 HydrophobicContact CD1-CD2 4.31Å; L182-V215 HydrophobicContact CD1-CG1 4.45Å; L182-V215 HydrophobicContact CD1-CG2 4.04Å; L182-V215 HydrophobicContact CD2-CG2 3.99Å
183E91.9Very high95Very high41 Ų4138.9 Ų38.919%0.19221%0.211CC..Hα-helixtrans-62.4-31.9179.2-73.2-72.513500112.9Y179 L180 L181 R227 F260Y179-E183 HydrophobicContact CD1-CG 4.3Å; Y179-E183 HydrophobicContact CD2-CG 4.37Å; Y179-E183 HydrophobicContact CE1-CG 3.94Å; Y179-E183 HydrophobicContact CE2-CG 3.96Å; Y179-E183 HydrophobicContact CG-CG 4.5Å; Y179-E183 VanDerWaalsContact O-CG 3.28Å; Y179-E183 WeakPolarHBondContact O-CG 3.35Å; Y179-E183 PolarHBondContact O-N 3.15Å; Y179-E183 PolarHBondContact OH-OE1 2.93Å; L180-E183 PolarHBondContact O-N 3.44Å; L181-E183 VanDerWaalsContact C-N 3.34Å; L181-E183 PolarHBondContact O-N 2.96Å; E183-R227 PolarHBondContact O-NH2 3.22Å; E183-R227 IonicContact OE2-CZ 3.49Å; E183-R227 IonicContact OE2-NH1 3.36Å; E183-R227 PolarHBondContact OE2-NH1 2.83Å; E183-R227 IonicContact OE2-NH2 3.01Å; E183-R227 PolarHBondContact OE2-NH2 3.37Å; E183-F260 HydrophobicContact CB-CE1 4.2Å; E183-F260 HydrophobicContact CB-CZ 3.66Å; E183-F260 HydrophobicContact CG-CE1 3.9Å; E183-F260 HydrophobicContact CG-CZ 3.62Å
184F93.1Very high94.9Very high13 Ų1339.7 Ų39.76%0.05721%0.212CC..THydrogen-bonded Turntrans-88.54.4174.8-81.2-87.3000114.2L150 P156 L180 L181 L182 L228 F231 F257L150-F184 HydrophobicContact CB-CB 4.26Å; L150-F184 HydrophobicContact CB-CD1 3.84Å; L150-F184 HydrophobicContact CB-CD2 3.86Å; L150-F184 HydrophobicContact CB-CE1 4.1Å; L150-F184 HydrophobicContact CB-CE2 4.12Å; L150-F184 HydrophobicContact CB-CG 3.71Å; L150-F184 HydrophobicContact CB-CZ 4.22Å; L150-F184 HydrophobicContact CD1-CB 4.29Å; L150-F184 HydrophobicContact CD1-CD2 4.01Å; L150-F184 HydrophobicContact CD1-CG 4.24Å; L150-F184 HydrophobicContact CD2-CB 4.12Å; L150-F184 HydrophobicContact CD2-CG 4.49Å; L150-F184 HydrophobicContact CG-CB 4.47Å; L150-F184 HydrophobicContact CG-CG 4.37Å; L150-F184 WeakPolarHBondContact O-CE1 3.27Å; P156-F184 WeakPolarHBondContact CG-O 3.3Å; L180-F184 HydrophobicContact CD1-CD2 3.82Å; L180-F184 HydrophobicContact CD1-CE2 3.58Å; L180-F184 HydrophobicContact CG-CD2 4.32Å; L180-F184 HydrophobicContact CG-CE2 4.45Å; L180-F184 WeakPolarHBondContact O-CD2 3.37Å; L180-F184 PolarHBondContact O-N 3.4Å; L180-F184 VanDerWaalsContact O-N 3.16Å; L181-F184 PolarHBondContact O-N 2.99Å; L182-F184 PolarHBondContact O-N 3.44Å; F184-L228 WeakPolarHBondContact O-CD2 3.3Å; F184-F231 HydrophobicContact CD1-CE1 4.33Å; F184-F231 HydrophobicContact CD1-CZ 4.5Å; F184-F231 HydrophobicContact CE1-CE1 4.25Å; F184-F231 HydrophobicContact CE1-CE2 4.43Å; F184-F231 AromaticContact CE1-CZ 3.98Å; F184-F231 HydrophobicContact CE1-CZ 3.98Å; F184-F257 HydrophobicContact CD1-CD1 4.39Å; F184-F257 AromaticContact CD1-CE1 3.97Å; F184-F257 HydrophobicContact CD1-CE1 3.97Å; F184-F257 HydrophobicContact CD1-CZ 4.06Å; F184-F257 HydrophobicContact CD2-CD1 4.14Å; F184-F257 HydrophobicContact CD2-CE1 4.17Å; F184-F257 AromaticContact CE1-CD1 3.82Å; F184-F257 HydrophobicContact CE1-CD1 3.82Å; F184-F257 AromaticContact CE1-CD2 3.97Å; F184-F257 HydrophobicContact CE1-CD2 3.97Å; F184-F257 AromaticContact CE1-CE1 3.76Å; F184-F257 HydrophobicContact CE1-CE1 3.76Å; F184-F257 AromaticContact CE1-CE2 3.91Å; F184-F257 HydrophobicContact CE1-CE2 3.91Å; F184-F257 AromaticContact CE1-CG 3.94Å; F184-F257 HydrophobicContact CE1-CG 3.94Å; F184-F257 AromaticContact CE1-CZ 3.8Å; F184-F257 HydrophobicContact CE1-CZ 3.8Å; F184-F257 HydrophobicContact CE2-CB 4.37Å; F184-F257 AromaticContact CE2-CD1 3.52Å; F184-F257 HydrophobicContact CE2-CD1 3.52Å; F184-F257 AromaticContact CE2-CE1 3.97Å; F184-F257 HydrophobicContact CE2-CE1 3.97Å; F184-F257 HydrophobicContact CE2-CG 4.04Å; F184-F257 HydrophobicContact CG-CE1 4.18Å; F184-F257 HydrophobicContact CZ-CB 3.88Å; F184-F257 AromaticContact CZ-CD1 3.35Å; F184-F257 HydrophobicContact CZ-CD1 3.35Å; F184-F257 AromaticContact CZ-CD2 3.92Å; F184-F257 HydrophobicContact CZ-CD2 3.92Å; F184-F257 AromaticContact CZ-CE1 3.77Å; F184-F257 HydrophobicContact CZ-CE1 3.77Å; F184-F257 HydrophobicContact CZ-CE2 4.29Å; F184-F257 AromaticContact CZ-CG 3.45Å; F184-F257 HydrophobicContact CZ-CG 3.45Å; F184-F257 VanDerWaalsContact CZ-CG 3.45Å; F184-F257 HydrophobicContact CZ-CZ 4.22Å
185G93.1Very high94.8Very high27 Ų2745.7 Ų45.728%0.27825%0.245SC..THydrogen-bonded Turntrans95.125.2172.100000115.4N157 L181 L182N157-G185 PolarHBondContact ND2-O 3.39Å; N157-G185 VanDerWaalsContact ND2-O 3.1Å; L181-G185 PolarHBondContact O-N 2.85Å; L182-G185 PolarHBondContact O-N 2.91Å
186A95.3Very high94.8Very high6 Ų647.6 Ų47.65%0.0525%0.245CC..  trans-63.8135.4167.300000110.9P156 N157 L166 L181 P188P156-A186 HydrophobicContact CB-CB 4.14Å; N157-A186 WeakPolarHBondContact OD1-CA 3.25Å; L166-A186 HydrophobicContact CB-CB 4.29Å; L166-A186 HydrophobicContact CD2-CB 4.18Å; L181-A186 HydrophobicContact CB-CB 3.82Å; L181-A186 WeakPolarHBondContact O-CB 3.28Å; L181-A186 PolarHBondContact O-N 2.93Å; A186-P188 WeakPolarHBondContact O-CD 3.47Å
187S94.2Very high94.8Very high33 Ų3345.5 Ų45.523%0.23123%0.234CC..  trans-78.2119.7178.41690000111N157 L166 I189 S190N157-S187 PolarHBondContact OD1-N 2.85Å; L166-S187 WeakPolarHBondContact CD2-O 3.41Å; S187-I189 PolarHBondContact O-N 2.87Å; S187-I189 WeakPolarHBondContact OG-CG1 3.3Å; S187-I189 PolarHBondContact OG-N 3.28Å; S187-S190 VanDerWaalsContact CB-OG 3.24Å; S187-S190 WeakPolarHBondContact CB-OG 3.27Å; S187-S190 PolarHBondContact OG-N 2.99Å; S187-S190 PolarHBondContact OG-OG 3.49Å; S187-S190 VanDerWaalsContact OG-OG 3.07Å
188P94.8Very high94.8Very high26 Ų2645.5 Ų45.517%0.16923%0.234CC..THydrogen-bonded Turntrans-74.7-7.3178.331-34.6000113.8L166 L182 A186 V215L166-P188 HydrophobicContact CD2-CB 4.32Å; L182-P188 HydrophobicContact CD2-CB 4.17Å; A186-P188 WeakPolarHBondContact O-CD 3.47Å; P188-V215 HydrophobicContact CB-CG2 3.82Å; P188-V215 HydrophobicContact CG-CG2 4.03Å
189I94.2Very high94.8Very high100 Ų10046 Ų4651%0.51324%0.237SC..THydrogen-bonded Turntrans-1174.7-173.560167.8000113.5S187 V191 I197 Q216S187-I189 PolarHBondContact O-N 2.87Å; S187-I189 WeakPolarHBondContact OG-CG1 3.3Å; S187-I189 PolarHBondContact OG-N 3.28Å; I189-V191 PolarHBondContact O-N 3.31Å; I189-I197 WeakPolarHBondContact O-CG2 3.45Å; I189-Q216 HydrophobicContact CG2-CG 3.88Å
190S94.1Very high94.9Very high34 Ų3445.9 Ų45.924%0.23824%0.242CC..  trans-64.2134.8175.4-67.70000109.8H167 S187 P198H167-S190 PolarHBondContact CE1-O 3.16Å; H167-S190 PolarHBondContact NE2-O 3.16Å; S187-S190 VanDerWaalsContact CB-OG 3.24Å; S187-S190 WeakPolarHBondContact CB-OG 3.27Å; S187-S190 PolarHBondContact OG-N 2.99Å; S187-S190 PolarHBondContact OG-OG 3.49Å; S187-S190 VanDerWaalsContact OG-OG 3.07Å; S190-P198 WeakPolarHBondContact O-CD 3.35Å
191V94.6Very high94.9Very high77 Ų7747.9 Ų47.947%0.46725%0.25SC..  trans-94.7142.2178-63.70000111.1I189 R196 I197I189-V191 PolarHBondContact O-N 3.31Å; V191-R196 CarbonylContact C-O 3.36Å; V191-R196 WeakPolarHBondContact CA-O 3.44Å; V191-I197 HydrophobicContact CG1-CG2 3.76Å
192D94.9Very high94.9Very high2 Ų248.5 Ų48.51%0.01125%0.253CS..  trans-86.7-173.8169.672.413.3000112.5E194 N195 R196 Y201D192-E194 PolarHBondContact O-N 3.25Å; D192-E194 VanDerWaalsContact O-N 3.14Å; D192-E194 WeakPolarHBondContact OD1-CA 3.14Å; D192-E194 WeakPolarHBondContact OD1-CB 3.18Å; D192-E194 PolarHBondContact OD1-N 3.46Å; D192-N195 PolarHBondContact O-N 3.08Å; D192-N195 PolarHBondContact OD1-N 3.42Å; D192-R196 PolarHBondContact N-O 3.49Å; D192-R196 PolarHBondContact OD1-N 3.39Å; D192-R196 VanDerWaalsContact OD1-N 3.07Å; D192-Y201 WeakPolarHBondContact OD2-CE2 3.42Å; D192-Y201 PolarHBondContact OD2-OH 2.81Å
193K93.8Very high95Very high126 Ų12650.6 Ų50.655%0.54827%0.269SS..THydrogen-bonded Turntrans-61.5-16.7178.660.4166.4-172.7157.30114.8L162L162-K193 HydrophobicContact CD1-CB 4.38Å
194E94.3Very high95.1Very high90 Ų9054 Ų5442%0.42129%0.288SS..THydrogen-bonded Turntrans-102.912.6179.1-72.8150.2-161.900111.1D192 R196 Y201D192-E194 PolarHBondContact O-N 3.25Å; D192-E194 VanDerWaalsContact O-N 3.14Å; D192-E194 WeakPolarHBondContact OD1-CA 3.14Å; D192-E194 WeakPolarHBondContact OD1-CB 3.18Å; D192-E194 PolarHBondContact OD1-N 3.46Å; E194-R196 HydrophobicContact CB-CG 4.33Å; E194-R196 PolarHBondContact O-N 3.16Å; E194-R196 IonicContact OE2-CZ 2.98Å; E194-R196 VanDerWaalsContact OE2-CZ 3.31Å; E194-R196 IonicContact OE2-NE 2.72Å; E194-R196 PolarHBondContact OE2-NE 2.88Å; E194-R196 IonicContact OE2-NH2 2.67Å; E194-R196 PolarHBondContact OE2-NH2 3.01Å; E194-Y201 PolarHBondContact OE2-OH 2.96Å
195N95.1Very high95.2Very high135 Ų13559.2 Ų59.272%0.72232%0.322SS*.SBendtrans58.126.4-174.6-62.1-48.4000113.6D192D192-N195 PolarHBondContact O-N 3.08Å; D192-N195 PolarHBondContact OD1-N 3.42Å
196R96.5Very high95.4Very high97 Ų9758.2 Ų58.237%0.36631%0.31SS..  trans-96.3143.3175.9-64.4-165.5-76.3-164.70.3110.1H167 V191 D192 E194 D200 Y201H167-R196 PolarHBondContact NE2-O 3.48Å; V191-R196 CarbonylContact C-O 3.36Å; V191-R196 WeakPolarHBondContact CA-O 3.44Å; D192-R196 PolarHBondContact N-O 3.49Å; D192-R196 PolarHBondContact OD1-N 3.39Å; D192-R196 VanDerWaalsContact OD1-N 3.07Å; E194-R196 HydrophobicContact CB-CG 4.33Å; E194-R196 PolarHBondContact O-N 3.16Å; E194-R196 IonicContact OE2-CZ 2.98Å; E194-R196 VanDerWaalsContact OE2-CZ 3.31Å; E194-R196 IonicContact OE2-NE 2.72Å; E194-R196 PolarHBondContact OE2-NE 2.88Å; E194-R196 IonicContact OE2-NH2 2.67Å; E194-R196 PolarHBondContact OE2-NH2 3.01Å; R196-D200 WeakPolarHBondContact CA-OD2 3.34Å; R196-D200 HydrophobicContact CB-CB 4.15Å; R196-D200 HydrophobicContact CG-CB 4.46Å; R196-Y201 HydrophobicContact CB-CE2 3.75Å; R196-Y201 VanDerWaalsContact CZ-CZ 3.44Å; R196-Y201 PolarHBondContact NE-OH 2.83Å; R196-Y201 PolarHBondContact NH2-OH 3.22Å
197I96.3Very high95.4Very high25 Ų2562.1 Ų62.113%0.12834%0.335CS..  trans-95.4164.4169.553.6167.4000109.8I189 V191 I199 D200I189-I197 WeakPolarHBondContact O-CG2 3.45Å; V191-I197 HydrophobicContact CG1-CG2 3.76Å; I197-I199 VanDerWaalsContact C-N 3.27Å; I197-I199 HydrophobicContact CD1-CG2 3.39Å; I197-I199 HydrophobicContact CG1-CG2 3.73Å; I197-I199 PolarHBondContact O-N 3.46Å; I197-I199 VanDerWaalsContact O-N 3.15Å; I197-D200 VanDerWaalsContact CG1-OD2 3.22Å; I197-D200 WeakPolarHBondContact CG1-OD2 3.25Å; I197-D200 PolarHBondContact N-OD2 2.82Å; I197-D200 WeakPolarHBondContact O-CB 3.47Å; I197-D200 PolarHBondContact O-N 3.27Å
198P96.8Very high95.6Very high0 Ų060.6 Ų60.60%032%0.324CS..G310 helixtrans-52.7-40.5-176.5-30.936.6000114.6L166 A170 S190 D200 Y201 L212L166-P198 HydrophobicContact CB-CB 4.47Å; L166-P198 HydrophobicContact CB-CG 4.05Å; L166-P198 HydrophobicContact CD2-CB 4.32Å; L166-P198 HydrophobicContact CD2-CG 3.99Å; L166-P198 HydrophobicContact CG-CB 3.95Å; L166-P198 HydrophobicContact CG-CG 3.89Å; A170-P198 HydrophobicContact CB-CB 4.03Å; A170-P198 WeakPolarHBondContact CB-O 3.18Å; S190-P198 WeakPolarHBondContact O-CD 3.35Å; P198-D200 PolarHBondContact O-N 2.98Å; P198-Y201 PolarHBondContact O-N 3.08Å; P198-L212 HydrophobicContact CB-CD1 4.2Å
199I97Very high95.7Very high11 Ų1162.1 Ų62.16%0.05633%0.327CS..G310 helixtrans-63.8-25.7-178.2-165.4173.4000113.2I197 Y201 V202 Y209 L212 K213I197-I199 VanDerWaalsContact C-N 3.27Å; I197-I199 HydrophobicContact CD1-CG2 3.39Å; I197-I199 HydrophobicContact CG1-CG2 3.73Å; I197-I199 PolarHBondContact O-N 3.46Å; I197-I199 VanDerWaalsContact O-N 3.15Å; I199-Y201 PolarHBondContact O-N 3.05Å; I199-Y201 VanDerWaalsContact O-N 3.16Å; I199-V202 PolarHBondContact O-N 2.9Å; I199-V202 VanDerWaalsContact O-N 3.09Å; I199-Y209 HydrophobicContact CD1-CD2 3.86Å; I199-Y209 HydrophobicContact CD1-CE2 3.73Å; I199-Y209 HydrophobicContact CD1-CG 4.38Å; I199-Y209 HydrophobicContact CG1-CD2 3.51Å; I199-Y209 HydrophobicContact CG1-CE2 3.67Å; I199-Y209 HydrophobicContact CG1-CG 4.3Å; I199-L212 HydrophobicContact CB-CB 4.01Å; I199-L212 HydrophobicContact CB-CD1 4.04Å; I199-L212 HydrophobicContact CD1-CB 4.05Å; I199-L212 HydrophobicContact CG1-CB 4.01Å; I199-L212 HydrophobicContact CG1-CD1 4.44Å; I199-K213 HydrophobicContact CD1-CB 3.86Å
200D96.7Very high95.7Very high90 Ų9062.6 Ų62.648%0.48133%0.327SS..G310 helixtrans-66.9-17.4-179.1-61.6-27.8000112.8R196 I197 P198R196-D200 WeakPolarHBondContact CA-OD2 3.34Å; R196-D200 HydrophobicContact CB-CB 4.15Å; R196-D200 HydrophobicContact CG-CB 4.46Å; I197-D200 VanDerWaalsContact CG1-OD2 3.22Å; I197-D200 WeakPolarHBondContact CG1-OD2 3.25Å; I197-D200 PolarHBondContact N-OD2 2.82Å; I197-D200 WeakPolarHBondContact O-CB 3.47Å; I197-D200 PolarHBondContact O-N 3.27Å; P198-D200 PolarHBondContact O-N 2.98Å
201Y96.1Very high95.8Very high45 Ų4562.6 Ų62.618%0.17632%0.324CS..G310 helixtrans-89.1-4.4177.8-71.8-78.9000113.7H167 K171 D192 E194 R196 P198 I199H167-Y201 AromaticContact CD2-CE2 3.84Å; K171-Y201 HydrophobicContact CD-CD1 4.19Å; K171-Y201 HydrophobicContact CD-CE1 4.23Å; K171-Y201 HydrophobicContact CD-CG 4.47Å; K171-Y201 WeakPolarHBondContact CE-OH 3.17Å; K171-Y201 HydrophobicContact CG-CD1 3.63Å; K171-Y201 HydrophobicContact CG-CD2 4.4Å; K171-Y201 HydrophobicContact CG-CE1 4.18Å; K171-Y201 HydrophobicContact CG-CG 3.72Å; K171-Y201 PolarHBondContact NZ-OH 3.03Å; D192-Y201 WeakPolarHBondContact OD2-CE2 3.42Å; D192-Y201 PolarHBondContact OD2-OH 2.81Å; E194-Y201 PolarHBondContact OE2-OH 2.96Å; R196-Y201 HydrophobicContact CB-CE2 3.75Å; R196-Y201 VanDerWaalsContact CZ-CZ 3.44Å; R196-Y201 PolarHBondContact NE-OH 2.83Å; R196-Y201 PolarHBondContact NH2-OH 3.22Å; P198-Y201 PolarHBondContact O-N 3.08Å; I199-Y201 PolarHBondContact O-N 3.05Å; I199-Y201 VanDerWaalsContact O-N 3.16Å
202V96.6Very high95.9Very high12 Ų1259 Ų597%0.07330%0.302CS..SBendtrans-110.5133.3-167.9-169.10000111.1A170 N173 I199 N204 V208 L212A170-V202 HydrophobicContact CB-CG2 3.63Å; N173-V202 WeakPolarHBondContact OD1-CG1 3.45Å; I199-V202 PolarHBondContact O-N 2.9Å; I199-V202 VanDerWaalsContact O-N 3.09Å; V202-N204 PolarHBondContact O-N 3Å; V202-V208 HydrophobicContact CG1-CB 3.82Å; V202-V208 HydrophobicContact CG1-CG1 4.06Å; V202-V208 HydrophobicContact CG2-CG1 3.88Å; V202-L212 HydrophobicContact CG2-CD1 4.09Å
203P95.5Very high95.8Very high73 Ų7364.3 Ų64.347%0.47433%0.326SS..  trans-59.4138.1170.5-21.432.5000111.5T205 S206 Y209P203-T205 PolarHBondContact O-N 3.23Å; P203-S206 VanDerWaalsContact O-CB 3.25Å; P203-S206 WeakPolarHBondContact O-CB 3.43Å; P203-S206 PolarHBondContact O-N 3.3Å; P203-Y209 VanDerWaalsContact O-CB 3.26Å; P203-Y209 WeakPolarHBondContact O-CB 3.46Å
204N94Very high95.8Very high112 Ų11261 Ų6160%0.59932%0.318SS*.THydrogen-bonded Turntrans-59.7-20.2-179.262.7-3.4000114.9V202 Y209 Q210V202-N204 PolarHBondContact O-N 3Å; N204-Y209 HydrophobicContact CB-CD1 4.31Å; N204-Y209 HydrophobicContact CB-CD2 4.49Å; N204-Y209 HydrophobicContact CB-CE1 4.15Å; N204-Y209 HydrophobicContact CB-CE2 4.34Å; N204-Y209 HydrophobicContact CB-CG 4.49Å; N204-Y209 WeakPolarHBondContact O-CD1 3.49Å; N204-Q210 PolarHBondContact O-NE2 3.15Å
205T95.4Very high95.7Very high123 Ų12358.6 Ų58.676%0.75531%0.309SS*.THydrogen-bonded Turntrans-81.5-12.3175.654.10000113.7P203P203-T205 PolarHBondContact O-N 3.23Å
206S96.3Very high95.2Very high6 Ų655 Ų554%0.04229%0.289CS..SBendtrans-75.3144.1-174.9178.10000112.5N173 P203 V208 Y209 Q210N173-S206 VanDerWaalsContact CG-OG 3.32Å; N173-S206 PolarHBondContact ND2-OG 3.39Å; N173-S206 VanDerWaalsContact OD1-CB 3.31Å; N173-S206 WeakPolarHBondContact OD1-CB 3.31Å; N173-S206 PolarHBondContact OD1-OG 2.67Å; P203-S206 VanDerWaalsContact O-CB 3.25Å; P203-S206 WeakPolarHBondContact O-CB 3.43Å; P203-S206 PolarHBondContact O-N 3.3Å; S206-V208 PolarHBondContact O-N 2.88Å; S206-V208 PolarHBondContact OG-N 3Å; S206-V208 VanDerWaalsContact OG-N 3.08Å; S206-Y209 WeakPolarHBondContact O-CB 3.48Å; S206-Y209 PolarHBondContact O-N 3.3Å; S206-Q210 PolarHBondContact O-N 3.04Å
207P96.5Very high94.3Very high87 Ų8757.3 Ų57.357%0.56531%0.308SS*.Hα-helixtrans-53.1-35.9165.6-25.634.9000113.3V175 Y209 Q210 L211V175-P207 HydrophobicContact CG2-CB 4.23Å; P207-Y209 VanDerWaalsContact C-N 3.3Å; P207-Y209 PolarHBondContact O-N 2.11Å; P207-Q210 PolarHBondContact O-N 3.05Å; P207-L211 WeakPolarHBondContact O-CB 3.31Å; P207-L211 PolarHBondContact O-N 3.08Å
208V97.2Very high93.6Very high1 Ų162.5 Ų62.51%0.00633%0.332CS..Hα-helixtrans-62.9-38.5177.6-179.40000111N173 V175 T178 V202 S206 L211 L212N173-V208 WeakPolarHBondContact OD1-CG2 3.48Å; V175-V208 HydrophobicContact CB-CG2 3.98Å; T178-V208 HydrophobicContact CG2-CG1 4.1Å; V202-V208 HydrophobicContact CG1-CB 3.82Å; V202-V208 HydrophobicContact CG1-CG1 4.06Å; V202-V208 HydrophobicContact CG2-CG1 3.88Å; S206-V208 PolarHBondContact O-N 2.88Å; S206-V208 PolarHBondContact OG-N 3Å; S206-V208 VanDerWaalsContact OG-N 3.08Å; V208-L211 PolarHBondContact O-N 2.99Å; V208-L212 HydrophobicContact CG1-CD1 3.9Å; V208-L212 HydrophobicContact CG1-CG 4.35Å; V208-L212 WeakPolarHBondContact O-CB 3.47Å; V208-L212 WeakPolarHBondContact O-CG 3.44Å; V208-L212 PolarHBondContact O-N 3.15Å
209Y97.1Very high92.8Very high58 Ų5868.7 Ų68.723%0.22737%0.369CS..Hα-helixtrans-65.9-44.7178.3179.9-88.5000110.6I199 P203 N204 S206 P207 L211 L212 K213I199-Y209 HydrophobicContact CD1-CD2 3.86Å; I199-Y209 HydrophobicContact CD1-CE2 3.73Å; I199-Y209 HydrophobicContact CD1-CG 4.38Å; I199-Y209 HydrophobicContact CG1-CD2 3.51Å; I199-Y209 HydrophobicContact CG1-CE2 3.67Å; I199-Y209 HydrophobicContact CG1-CG 4.3Å; P203-Y209 VanDerWaalsContact O-CB 3.26Å; P203-Y209 WeakPolarHBondContact O-CB 3.46Å; N204-Y209 HydrophobicContact CB-CD1 4.31Å; N204-Y209 HydrophobicContact CB-CD2 4.49Å; N204-Y209 HydrophobicContact CB-CE1 4.15Å; N204-Y209 HydrophobicContact CB-CE2 4.34Å; N204-Y209 HydrophobicContact CB-CG 4.49Å; N204-Y209 WeakPolarHBondContact O-CD1 3.49Å; S206-Y209 WeakPolarHBondContact O-CB 3.48Å; S206-Y209 PolarHBondContact O-N 3.3Å; P207-Y209 VanDerWaalsContact C-N 3.3Å; P207-Y209 PolarHBondContact O-N 2.11Å; Y209-L211 VanDerWaalsContact C-N 3.33Å; Y209-L211 PolarHBondContact O-N 2.87Å; Y209-L212 PolarHBondContact O-N 3.45Å; Y209-K213 HydrophobicContact CE1-CD 3.79Å; Y209-K213 WeakPolarHBondContact O-CB 3.31Å; Y209-K213 PolarHBondContact O-N 2.69Å
210Q95.3Very high92.2Very high111 Ų11171.7 Ų71.752%0.51939%0.389SS..Hα-helixtrans-61.9-42.7176.4-60.6-58-31.700111.4N204 S206 P207 S214N204-Q210 PolarHBondContact O-NE2 3.15Å; S206-Q210 PolarHBondContact O-N 3.04Å; P207-Q210 PolarHBondContact O-N 3.05Å; Q210-S214 WeakPolarHBondContact O-CB 3.31Å; Q210-S214 PolarHBondContact O-N 3.14Å
211L95.5Very high91.8Very high33 Ų3370.4 Ų70.417%0.17339%0.387CS..Hα-helixtrans-60.8-53.8176.517860.1000111.6V175 T178 Y179 L182 P207 V208 Y209 K213 S214 V215V175-L211 HydrophobicContact CG2-CD2 4.3Å; T178-L211 HydrophobicContact CG2-CD2 3.74Å; T178-L211 HydrophobicContact CG2-CG 4.41Å; Y179-L211 HydrophobicContact CD2-CD1 4.23Å; Y179-L211 HydrophobicContact CD2-CD2 4.37Å; L182-L211 HydrophobicContact CD1-CD1 4.25Å; L182-L211 HydrophobicContact CD1-CD2 4.14Å; L182-L211 HydrophobicContact CD1-CG 3.9Å; P207-L211 WeakPolarHBondContact O-CB 3.31Å; P207-L211 PolarHBondContact O-N 3.08Å; V208-L211 PolarHBondContact O-N 2.99Å; Y209-L211 VanDerWaalsContact C-N 3.33Å; Y209-L211 PolarHBondContact O-N 2.87Å; L211-K213 VanDerWaalsContact C-N 3.35Å; L211-K213 PolarHBondContact O-N 2.84Å; L211-S214 WeakPolarHBondContact O-CB 3.26Å; L211-S214 PolarHBondContact O-N 3.31Å; L211-S214 VanDerWaalsContact O-N 3.15Å; L211-S214 PolarHBondContact O-OG 2.93Å; L211-V215 PolarHBondContact O-N 3.42Å
212L96.2Very high91.5Very high2 Ų274.8 Ų74.81%0.0141%0.413CS..Hα-helixtrans-62.7-41-179.9-71.6172.7000112.1L166 A170 T178 L182 P198 I199 V202 V208 Y209 S214 V215 Q216L166-L212 HydrophobicContact CD1-CD2 4.27Å; L166-L212 HydrophobicContact CD2-CD2 4.07Å; L166-L212 HydrophobicContact CG-CD2 4.29Å; A170-L212 HydrophobicContact CB-CD1 4.3Å; T178-L212 HydrophobicContact CG2-CD2 3.9Å; T178-L212 HydrophobicContact CG2-CG 4.11Å; L182-L212 HydrophobicContact CD1-CD2 4.31Å; P198-L212 HydrophobicContact CB-CD1 4.2Å; I199-L212 HydrophobicContact CB-CB 4.01Å; I199-L212 HydrophobicContact CB-CD1 4.04Å; I199-L212 HydrophobicContact CD1-CB 4.05Å; I199-L212 HydrophobicContact CG1-CB 4.01Å; I199-L212 HydrophobicContact CG1-CD1 4.44Å; V202-L212 HydrophobicContact CG2-CD1 4.09Å; V208-L212 HydrophobicContact CG1-CD1 3.9Å; V208-L212 HydrophobicContact CG1-CG 4.35Å; V208-L212 WeakPolarHBondContact O-CB 3.47Å; V208-L212 WeakPolarHBondContact O-CG 3.44Å; V208-L212 PolarHBondContact O-N 3.15Å; Y209-L212 PolarHBondContact O-N 3.45Å; L212-S214 VanDerWaalsContact C-N 3.26Å; L212-S214 PolarHBondContact O-N 3.29Å; L212-V215 WeakPolarHBondContact O-CG2 3.38Å; L212-V215 PolarHBondContact O-N 3.08Å; L212-Q216 WeakPolarHBondContact O-CB 3.27Å; L212-Q216 PolarHBondContact O-N 3.37Å
213K94.7Very high91.2Very high114 Ų11479.5 Ų79.550%0.49643%0.434SS..Hα-helixtrans-61.7-36.2176.2-172.9171.8-178.3175.80111.9I199 Y209 L211 V215I199-K213 HydrophobicContact CD1-CB 3.86Å; Y209-K213 HydrophobicContact CE1-CD 3.79Å; Y209-K213 WeakPolarHBondContact O-CB 3.31Å; Y209-K213 PolarHBondContact O-N 2.69Å; L211-K213 VanDerWaalsContact C-N 3.35Å; L211-K213 PolarHBondContact O-N 2.84Å; K213-V215 VanDerWaalsContact C-N 3.29Å; K213-V215 PolarHBondContact O-N 3.26Å
214S92.1Very high90.8Very high55 Ų5577.1 Ų77.139%0.38542%0.419SS..Hα-helixtrans-65.7-31.717978.20000112.8Q210 L211 L212 Q218Q210-S214 WeakPolarHBondContact O-CB 3.31Å; Q210-S214 PolarHBondContact O-N 3.14Å; L211-S214 WeakPolarHBondContact O-CB 3.26Å; L211-S214 PolarHBondContact O-N 3.31Å; L211-S214 VanDerWaalsContact O-N 3.15Å; L211-S214 PolarHBondContact O-OG 2.93Å; L212-S214 VanDerWaalsContact C-N 3.26Å; L212-S214 PolarHBondContact O-N 3.29Å; S214-Q218 WeakPolarHBondContact O-CG 3.3Å; S214-Q218 PolarHBondContact O-NE2 3.04Å
215V91.9Very high90.6Very high40 Ų4075.8 Ų75.824%0.24241%0.412CS..Hα-helixtrans-96.5-21.7-176.9-62.70000114.1L182 P188 L211 L212 K213 N217 Q218L182-V215 HydrophobicContact CD1-CG1 4.45Å; L182-V215 HydrophobicContact CD1-CG2 4.04Å; L182-V215 HydrophobicContact CD2-CG2 3.99Å; P188-V215 HydrophobicContact CB-CG2 3.82Å; P188-V215 HydrophobicContact CG-CG2 4.03Å; L211-V215 PolarHBondContact O-N 3.42Å; L212-V215 WeakPolarHBondContact O-CG2 3.38Å; L212-V215 PolarHBondContact O-N 3.08Å; K213-V215 VanDerWaalsContact C-N 3.29Å; K213-V215 PolarHBondContact O-N 3.26Å; V215-N217 VanDerWaalsContact C-N 3.31Å; V215-N217 PolarHBondContact O-N 2.54Å; V215-Q218 PolarHBondContact O-N 3.12Å
216Q84.6Confident90.4Very high61 Ų6172.2 Ų72.229%0.28539%0.392SS..Hα-helixtrans-58.3-37.2-171.2-171.1178.58.300114.4I189 L212I189-Q216 HydrophobicContact CG2-CG 3.88Å; L212-Q216 WeakPolarHBondContact O-CB 3.27Å; L212-Q216 PolarHBondContact O-N 3.37Å
217N79.1Confident90.1Very high144 Ų14472.4 Ų72.477%0.7739%0.392SS*.THydrogen-bonded Turntrans-108.910.5-176.3-65-35000113V215V215-N217 VanDerWaalsContact C-N 3.31Å; V215-N217 PolarHBondContact O-N 2.54Å
218Q80.7Confident89.8Confident135 Ų13570.6 Ų70.663%0.63138%0.377SS*.PPolyproline II helixtrans-99.7135-179.1-68.1-170.18.200110.5S214 V215 P220S214-Q218 WeakPolarHBondContact O-CG 3.3Å; S214-Q218 PolarHBondContact O-NE2 3.04Å; V215-Q218 PolarHBondContact O-N 3.12Å; Q218-P220 WeakPolarHBondContact O-CD 3Å
219V81.3Confident89.4Confident130 Ų13073.5 Ų73.579%0.78840%0.401SS*.PPolyproline II helixtrans-70.2124.8163.6-179.10000106.9S221V219-S221 PolarHBondContact O-N 2.97Å
220P83.6Confident89Confident74 Ų7473.5 Ų73.548%0.48141%0.405SS..PPolyproline II helixtrans-53.2135.6175.6-25.534000110.3Q218 L225Q218-P220 WeakPolarHBondContact O-CD 3Å; P220-L225 HydrophobicContact CB-CD2 3.97Å; P220-L225 HydrophobicContact CB-CG 4.03Å; P220-L225 HydrophobicContact CG-CD2 4.48Å
221S88.1Confident88.6Confident62 Ų6270 Ų7043%0.43439%0.388SS..PPolyproline II helixtrans-57.3151.4179.771.20000111.4V219 Q223 S224 L225V219-S221 PolarHBondContact O-N 2.97Å; S221-Q223 PolarHBondContact O-N 3.35Å; S221-Q223 VanDerWaalsContact O-N 3.14Å; S221-S224 PolarHBondContact N-OG 2.97Å; S221-S224 VanDerWaalsContact N-OG 3.15Å; S221-S224 PolarHBondContact O-N 2.96Å; S221-S224 PolarHBondContact O-OG 3.27Å; S221-S224 PolarHBondContact OG-N 3.41Å; S221-S224 PolarHBondContact OG-OG 3.3Å; S221-L225 PolarHBondContact O-N 2.98Å
222L90.6Very high88.1Confident137 Ų13770.8 Ų70.872%0.71740%0.396SS*.Hα-helixtrans-56.6-32.8173.2-175.863.1000111.2S226L222-S226 WeakPolarHBondContact O-CB 3.37Å; L222-S226 PolarHBondContact O-N 2.96Å; L222-S226 PolarHBondContact O-OG 3.15Å
223Q89.6Confident87.6Confident111 Ų11175.7 Ų75.752%0.51942%0.422SS..Hα-helixtrans-64.3-42.4176.1-172.3-173.3-10.400112.3S221 R227 Y254S221-Q223 PolarHBondContact O-N 3.35Å; S221-Q223 VanDerWaalsContact O-N 3.14Å; Q223-R227 PolarHBondContact O-N 3.32Å; Q223-Y254 HydrophobicContact CG-CD1 4.43Å; Q223-Y254 HydrophobicContact CG-CE1 3.55Å; Q223-Y254 PolarHBondContact O-OH 3.05Å
224S87.1Confident87Confident23 Ų2371.4 Ų71.416%0.16140%0.404CS..Hα-helixtrans-71.2-42.5177.461.10000111.6S221 S226 R227 L228 Y254S221-S224 PolarHBondContact N-OG 2.97Å; S221-S224 VanDerWaalsContact N-OG 3.15Å; S221-S224 PolarHBondContact O-N 2.96Å; S221-S224 PolarHBondContact O-OG 3.27Å; S221-S224 PolarHBondContact OG-N 3.41Å; S221-S224 PolarHBondContact OG-OG 3.3Å; S224-S226 VanDerWaalsContact C-N 3.32Å; S224-S226 PolarHBondContact O-N 3.45Å; S224-R227 PolarHBondContact O-N 3.42Å; S224-L228 WeakPolarHBondContact O-CG 3.28Å; S224-L228 PolarHBondContact O-N 2.88Å; S224-Y254 WeakPolarHBondContact CA-OH 3.45Å
225L89.8Confident86.3Confident84 Ų8474.2 Ų74.244%0.4441%0.406SS..Hα-helixtrans-60.6-43.2174.4-67.2175.4000111.6P220 S221 L228 A229P220-L225 HydrophobicContact CB-CD2 3.97Å; P220-L225 HydrophobicContact CB-CG 4.03Å; P220-L225 HydrophobicContact CG-CD2 4.48Å; S221-L225 PolarHBondContact O-N 2.98Å; L225-L228 PolarHBondContact O-N 2.87Å; L225-A229 WeakPolarHBondContact O-CB 3.24Å; L225-A229 PolarHBondContact O-N 3.23Å
226S91.6Very high85.5Confident49 Ų4976.5 Ų76.534%0.34342%0.424SS..Hα-helixtrans-63.5-41.4176.8-61.90000111.6L222 S224 A229 I230L222-S226 WeakPolarHBondContact O-CB 3.37Å; L222-S226 PolarHBondContact O-N 2.96Å; L222-S226 PolarHBondContact O-OG 3.15Å; S224-S226 VanDerWaalsContact C-N 3.32Å; S224-S226 PolarHBondContact O-N 3.45Å; S226-A229 PolarHBondContact O-N 3.45Å; S226-I230 WeakPolarHBondContact O-CB 3.5Å; S226-I230 WeakPolarHBondContact O-CD1 3.41Å; S226-I230 VanDerWaalsContact O-CG1 3.23Å; S226-I230 WeakPolarHBondContact O-CG1 3.49Å; S226-I230 PolarHBondContact O-N 3.1Å
227R90.6Very high85Confident10 Ų1076 Ų764%0.03843%0.431CS..Hα-helixtrans-58.4-50174.4-179.2175.464.6-178.52.7111.4E183 Q223 S224 A229 I230 F231 Y254 L255 F257E183-R227 PolarHBondContact O-NH2 3.22Å; E183-R227 IonicContact OE2-CZ 3.49Å; E183-R227 IonicContact OE2-NH1 3.36Å; E183-R227 PolarHBondContact OE2-NH1 2.83Å; E183-R227 IonicContact OE2-NH2 3.01Å; E183-R227 PolarHBondContact OE2-NH2 3.37Å; Q223-R227 PolarHBondContact O-N 3.32Å; S224-R227 PolarHBondContact O-N 3.42Å; R227-A229 PolarHBondContact O-N 3.17Å; R227-I230 PolarHBondContact O-N 3.47Å; R227-F231 WeakPolarHBondContact O-CB 3.42Å; R227-F231 PolarHBondContact O-N 3.05Å; R227-Y254 HydrophobicContact CB-CD1 4.44Å; R227-Y254 HydrophobicContact CB-CE1 3.64Å; R227-Y254 VanDerWaalsContact CD-O 3.32Å; R227-Y254 WeakPolarHBondContact CD-O 3.48Å; R227-Y254 HydrophobicContact CG-CE1 4.06Å; R227-Y254 VanDerWaalsContact NH1-CE2 3.34Å; R227-L255 HydrophobicContact CB-CD2 4.26Å; R227-L255 HydrophobicContact CG-CD2 4.1Å; R227-F257 HydrophobicContact CG-CE1 4.44Å; R227-F257 HydrophobicContact CG-CE2 4.18Å; R227-F257 HydrophobicContact CG-CZ 3.78Å
228L89.7Confident84.6Confident48 Ų4878.5 Ų78.525%0.25143%0.434SS..Hα-helixtrans-64-40.4-179.8-65.8176.7000112F184 S224 L225 F231 S232F184-L228 WeakPolarHBondContact O-CD2 3.3Å; S224-L228 WeakPolarHBondContact O-CG 3.28Å; S224-L228 PolarHBondContact O-N 2.88Å; L225-L228 PolarHBondContact O-N 2.87Å; L228-F231 PolarHBondContact O-N 3Å; L228-S232 WeakPolarHBondContact O-CB 3.26Å; L228-S232 PolarHBondContact O-N 2.92Å
229A89Confident83.8Confident62 Ų6276.3 Ų76.351%0.51243%0.427SS..Hα-helixtrans-63.8-48.8177.100000112L225 S226 R227 S232 L233L225-A229 WeakPolarHBondContact O-CB 3.24Å; L225-A229 PolarHBondContact O-N 3.23Å; S226-A229 PolarHBondContact O-N 3.45Å; R227-A229 PolarHBondContact O-N 3.17Å; A229-S232 PolarHBondContact O-N 3.27Å; A229-L233 WeakPolarHBondContact O-CB 3.44Å; A229-L233 PolarHBondContact O-N 3.09Å
230I88.8Confident83Confident59 Ų5972.2 Ų72.230%0.30340%0.404SS..Hα-helixtrans-62.7-45177.6-67.6164.8000110.2S226 R227 S232 L233 L234 L255S226-I230 WeakPolarHBondContact O-CB 3.5Å; S226-I230 WeakPolarHBondContact O-CD1 3.41Å; S226-I230 VanDerWaalsContact O-CG1 3.23Å; S226-I230 WeakPolarHBondContact O-CG1 3.49Å; S226-I230 PolarHBondContact O-N 3.1Å; R227-I230 PolarHBondContact O-N 3.47Å; I230-S232 PolarHBondContact O-N 2.84Å; I230-L233 PolarHBondContact O-N 2.88Å; I230-L234 HydrophobicContact CG2-CD1 3.91Å; I230-L234 HydrophobicContact CG2-CG 4.2Å; I230-L234 WeakPolarHBondContact O-CG 3.25Å; I230-L234 PolarHBondContact O-N 3.48Å; I230-L255 HydrophobicContact CB-CD2 4.05Å; I230-L255 HydrophobicContact CD1-CD1 4.43Å; I230-L255 HydrophobicContact CD1-CD2 3.97Å; I230-L255 HydrophobicContact CG2-CD1 4.13Å; I230-L255 HydrophobicContact CG2-CD2 3.98Å
231F86Confident82.6Confident37 Ų3772.2 Ų72.216%0.16240%0.404CS..Hα-helixtrans-59.4-45.7178.2179.6-102.9000112.1L150 S151 F184 R227 L228 L233 L234 R235 F257L150-F231 WeakPolarHBondContact O-CZ 3.17Å; S151-F231 WeakPolarHBondContact O-CE2 3.19Å; S151-F231 VanDerWaalsContact O-CZ 3.23Å; S151-F231 WeakPolarHBondContact O-CZ 3.01Å; F184-F231 HydrophobicContact CD1-CE1 4.33Å; F184-F231 HydrophobicContact CD1-CZ 4.5Å; F184-F231 HydrophobicContact CE1-CE1 4.25Å; F184-F231 HydrophobicContact CE1-CE2 4.43Å; F184-F231 AromaticContact CE1-CZ 3.98Å; F184-F231 HydrophobicContact CE1-CZ 3.98Å; R227-F231 WeakPolarHBondContact O-CB 3.42Å; R227-F231 PolarHBondContact O-N 3.05Å; L228-F231 PolarHBondContact O-N 3Å; F231-L233 VanDerWaalsContact C-N 3.32Å; F231-L233 PolarHBondContact O-N 3.43Å; F231-L234 PolarHBondContact O-N 3.38Å; F231-R235 PolarHBondContact O-N 3.34Å; F231-F257 HydrophobicContact CB-CE2 4.3Å; F231-F257 HydrophobicContact CD2-CD2 4.28Å; F231-F257 AromaticContact CD2-CE2 3.61Å; F231-F257 HydrophobicContact CD2-CE2 3.61Å; F231-F257 HydrophobicContact CE2-CD2 4.4Å; F231-F257 HydrophobicContact CE2-CE2 4.05Å; F231-F257 AromaticContact CG-CE2 3.94Å; F231-F257 HydrophobicContact CG-CE2 3.94Å; F231-F257 HydrophobicContact CG-CZ 4.46Å
232S84.6Confident82.2Confident50 Ų5070.4 Ų70.435%0.3539%0.39SS..Hα-helixtrans-61.7-39.8176.1-169.20000112.3L228 A229 I230 R235 S236L228-S232 WeakPolarHBondContact O-CB 3.26Å; L228-S232 PolarHBondContact O-N 2.92Å; A229-S232 PolarHBondContact O-N 3.27Å; I230-S232 PolarHBondContact O-N 2.84Å; S232-R235 PolarHBondContact OG-NH2 3.29Å; S232-R235 VanDerWaalsContact OG-NH2 3.14Å; S232-S236 PolarHBondContact O-N 3.02Å; S232-S236 PolarHBondContact O-OG 3.07Å
233L85.9Confident81.6Confident105 Ų10570.4 Ų70.455%0.5538%0.384SS..Hα-helixtrans-67.5-45.6178.6-176.767.8000112.7A229 I230 F231 R235 S236 A237A229-L233 WeakPolarHBondContact O-CB 3.44Å; A229-L233 PolarHBondContact O-N 3.09Å; I230-L233 PolarHBondContact O-N 2.88Å; F231-L233 VanDerWaalsContact C-N 3.32Å; F231-L233 PolarHBondContact O-N 3.43Å; L233-R235 PolarHBondContact O-N 3.15Å; L233-S236 PolarHBondContact O-N 3.02Å; L233-S236 PolarHBondContact O-OG 3.47Å; L233-S236 VanDerWaalsContact O-OG 3.1Å; L233-A237 WeakPolarHBondContact O-CB 3.46Å; L233-A237 PolarHBondContact O-N 2.89Å; L233-A237 VanDerWaalsContact O-N 3.08Å
234L82.8Confident81.3Confident24 Ų2471.5 Ų71.513%0.12639%0.389CS..Hα-helixtrans-58.6-39.9178.4-71.8172.8000111.3I230 F231 K238 L239 V242 L245I230-L234 HydrophobicContact CG2-CD1 3.91Å; I230-L234 HydrophobicContact CG2-CG 4.2Å; I230-L234 WeakPolarHBondContact O-CG 3.25Å; I230-L234 PolarHBondContact O-N 3.48Å; F231-L234 PolarHBondContact O-N 3.38Å; L234-K238 PolarHBondContact O-N 2.99Å; L234-L239 HydrophobicContact CD2-CB 3.98Å; L234-L239 HydrophobicContact CD2-CD1 4.31Å; L234-L239 PolarHBondContact O-N 3.39Å; L234-V242 HydrophobicContact CD1-CG2 3.56Å; L234-L245 HydrophobicContact CD1-CD1 4.23Å; L234-L245 HydrophobicContact CD2-CD1 4.37Å; L234-L245 HydrophobicContact CD2-CD2 4.27Å
235R77.2Confident81.2Confident113 Ų11372.5 Ų72.543%0.42639%0.393SS..Hα-helixtrans-67.7-49.9176.6178.6-173.460179.7-10112.3G153 F231 S232 L233 A237 K238G153-R235 VanDerWaalsContact C-NH1 3.33Å; G153-R235 PolarHBondContact O-NH1 3.23Å; F231-R235 PolarHBondContact O-N 3.34Å; S232-R235 PolarHBondContact OG-NH2 3.29Å; S232-R235 VanDerWaalsContact OG-NH2 3.14Å; L233-R235 PolarHBondContact O-N 3.15Å; R235-A237 VanDerWaalsContact C-N 3.29Å; R235-A237 PolarHBondContact O-N 3.24Å; R235-K238 PolarHBondContact O-N 3.22Å
236S75.7Confident81.2Confident88 Ų8879.7 Ų79.762%0.61542%0.416SS*.Hα-helixtrans-65.2-34.5-17564.20000112.5S232 L233S232-S236 PolarHBondContact O-N 3.02Å; S232-S236 PolarHBondContact O-OG 3.07Å; L233-S236 PolarHBondContact O-N 3.02Å; L233-S236 PolarHBondContact O-OG 3.47Å; L233-S236 VanDerWaalsContact O-OG 3.1Å
237A73.6Confident81Confident52 Ų5280.5 Ų80.543%0.4342%0.416SS..THydrogen-bonded Turntrans-91.75.7-17900000113.7L233 R235 L239L233-A237 WeakPolarHBondContact O-CB 3.46Å; L233-A237 PolarHBondContact O-N 2.89Å; L233-A237 VanDerWaalsContact O-N 3.08Å; R235-A237 VanDerWaalsContact C-N 3.29Å; R235-A237 PolarHBondContact O-N 3.24Å; A237-L239 HydrophobicContact CB-CD1 3.51Å; A237-L239 HydrophobicContact CB-CD2 4.35Å; A237-L239 HydrophobicContact CB-CG 3.47Å; A237-L239 VanDerWaalsContact CB-CG 3.47Å; A237-L239 PolarHBondContact O-N 3.43Å
238K71.1Confident81.1Confident195 Ų19583.8 Ų83.885%0.84844%0.438SS*.THydrogen-bonded Turntrans45.437.1-174.1-62-177.3178.6-178.60111.8L234 R235L234-K238 PolarHBondContact O-N 2.99Å; R235-K238 PolarHBondContact O-N 3.22Å
239L63.7Low81Confident90 Ų9087.1 Ų87.147%0.47146%0.456SS..  trans-72.9163.3-170.3-78.2165.8000110.9L234 A237L234-L239 HydrophobicContact CD2-CB 3.98Å; L234-L239 HydrophobicContact CD2-CD1 4.31Å; L234-L239 PolarHBondContact O-N 3.39Å; A237-L239 HydrophobicContact CB-CD1 3.51Å; A237-L239 HydrophobicContact CB-CD2 4.35Å; A237-L239 HydrophobicContact CB-CG 3.47Å; A237-L239 VanDerWaalsContact CB-CG 3.47Å; A237-L239 PolarHBondContact O-N 3.43Å
240S63Low80.9Confident43 Ų4390.5 Ų90.530%0.30146%0.464SS..  trans-41.8142.9169.349.30000112.5E244S240-E244 WeakPolarHBondContact CB-OE2 3.14Å
241P75.7Confident80.8Confident75 Ų7591.2 Ų91.249%0.48747%0.468SS..  trans-53.8150.8177.424.1-34.6000111K243 E244P241-K243 PolarHBondContact O-N 3.15Å; P241-E244 WeakPolarHBondContact CD-OE1 3.45Å; P241-E244 HydrophobicContact CG-CG 4.21Å; P241-E244 WeakPolarHBondContact CG-OE1 3.43Å; P241-E244 PolarHBondContact O-N 3.24Å
242V79.5Confident80.9Confident24 Ų2491.3 Ų91.315%0.14547%0.469CS..G310 helixtrans-44-30.4177.6175.10000113.3L234 E244 L245 K252 L255L234-V242 HydrophobicContact CD1-CG2 3.56Å; V242-E244 PolarHBondContact O-N 2.63Å; V242-L245 HydrophobicContact CG1-CD1 4.39Å; V242-L245 WeakPolarHBondContact O-CB 3.15Å; V242-L245 PolarHBondContact O-N 3.36Å; V242-K252 HydrophobicContact CG1-CB 4.03Å; V242-K252 HydrophobicContact CG1-CG 4.32Å; V242-K252 WeakPolarHBondContact CG1-O 3.21Å; V242-L255 HydrophobicContact CG1-CB 3.76Å; V242-L255 HydrophobicContact CG1-CD1 4.35Å; V242-L255 HydrophobicContact CG2-CB 4.38Å
243K79.3Confident80.9Confident136 Ų13692.2 Ų92.259%0.59147%0.47SS*.G310 helixtrans-57-31.4176.7-64.1-176.7-179178.50113.9P241 K252 R258P241-K243 PolarHBondContact O-N 3.15Å; K243-K252 WeakPolarHBondContact O-CE 3.38Å; K243-K252 PolarHBondContact O-NZ 2.99Å; K243-R258 VanDerWaalsContact CE-NH2 3.26Å
244E83.7Confident80.8Confident134 Ų13489 Ų8963%0.62645%0.451SS*.G310 helixtrans-86.8-10.7-177.7-67.4177.5-149.100113S240 P241 V242S240-E244 WeakPolarHBondContact CB-OE2 3.14Å; P241-E244 WeakPolarHBondContact CD-OE1 3.45Å; P241-E244 HydrophobicContact CG-CG 4.21Å; P241-E244 WeakPolarHBondContact CG-OE1 3.43Å; P241-E244 PolarHBondContact O-N 3.24Å; V242-E244 PolarHBondContact O-N 2.63Å
245L84.7Confident80.9Confident44 Ų4488.3 Ų88.323%0.2345%0.447CS..SBendtrans-63.8140.1174.2-62.9177.5000110.4L234 V242 L247 K252 L255L234-L245 HydrophobicContact CD1-CD1 4.23Å; L234-L245 HydrophobicContact CD2-CD1 4.37Å; L234-L245 HydrophobicContact CD2-CD2 4.27Å; V242-L245 HydrophobicContact CG1-CD1 4.39Å; V242-L245 WeakPolarHBondContact O-CB 3.15Å; V242-L245 PolarHBondContact O-N 3.36Å; L245-L247 HydrophobicContact CB-CD1 3.92Å; L245-L247 HydrophobicContact CB-CG 4.06Å; L245-L247 HydrophobicContact CD1-CD1 3.89Å; L245-L247 PolarHBondContact O-N 3.02Å; L245-K252 WeakPolarHBondContact O-CE 3.47Å; L245-K252 PolarHBondContact O-NZ 3.41Å; L245-L255 HydrophobicContact CD1-CD1 4.21Å
246Y88.5Confident81Confident236 Ų23684.4 Ų84.493%0.92544%0.437SS*.SBendtrans-79.673173.9-167.9-104.9000110.3
247L88.2Confident81.1Confident65 Ų6580.4 Ų80.434%0.3441%0.409SS..SBendtrans-135.1153.2-177.5-65.8174.5000111L245 L251 K252 L255L245-L247 HydrophobicContact CB-CD1 3.92Å; L245-L247 HydrophobicContact CB-CG 4.06Å; L245-L247 HydrophobicContact CD1-CD1 3.89Å; L245-L247 PolarHBondContact O-N 3.02Å; L247-L251 HydrophobicContact CB-CB 4.48Å; L247-K252 HydrophobicContact CB-CG 4.22Å; L247-K252 WeakPolarHBondContact O-CE 3.46Å; L247-L255 HydrophobicContact CD1-CD1 3.6Å
248P91.5Very high80.8Confident79 Ų7985 Ų8551%0.51342%0.415SS..  trans-53.5144.5168.2-25.733.7000112.6I250 L251 K252P248-I250 HydrophobicContact CB-CG2 4.22Å; P248-I250 PolarHBondContact O-N 3.47Å; P248-L251 HydrophobicContact CG-CD1 4.42Å; P248-L251 PolarHBondContact O-N 3.12Å; P248-K252 PolarHBondContact O-N 3.23Å
249N88.1Confident80.6Confident118 Ų11881.7 Ų81.763%0.63140%0.402SS*.Hα-helixtrans-55.8-38-178.1-71.8-19.2000112.9L251 K252 D253N249-L251 VanDerWaalsContact C-N 3.26Å; N249-L251 PolarHBondContact O-N 3.22Å; N249-K252 CarbonylContact O-C 3.6Å; N249-K252 WeakPolarHBondContact O-CB 3.5Å; N249-K252 PolarHBondContact O-N 3.07Å; N249-K252 VanDerWaalsContact O-N 3.08Å; N249-D253 PolarHBondContact O-N 3.34Å
250I87.3Confident80.6Confident133 Ų13378.2 Ų78.268%0.68238%0.383SS*.Hα-helixtrans-59.6-37.2177.5-163.4164.2000112.6P248 Y254P248-I250 HydrophobicContact CB-CG2 4.22Å; P248-I250 PolarHBondContact O-N 3.47Å; I250-Y254 WeakPolarHBondContact O-CB 3.22Å; I250-Y254 PolarHBondContact O-N 3.3Å
251L87.5Confident80.4Confident74 Ų7483.6 Ų83.639%0.38740%0.404SS..Hα-helixtrans-75.6-37175.8-65.3-175.1000111L247 P248 N249 D253 Y254 L255L247-L251 HydrophobicContact CB-CB 4.48Å; P248-L251 HydrophobicContact CG-CD1 4.42Å; P248-L251 PolarHBondContact O-N 3.12Å; N249-L251 VanDerWaalsContact C-N 3.26Å; N249-L251 PolarHBondContact O-N 3.22Å; L251-D253 VanDerWaalsContact C-N 3.32Å; L251-D253 PolarHBondContact O-N 3.49Å; L251-Y254 PolarHBondContact O-N 2.51Å; L251-L255 VanDerWaalsContact O-CB 3.31Å; L251-L255 WeakPolarHBondContact O-CB 3.47Å; L251-L255 WeakPolarHBondContact O-CG 3.37Å; L251-L255 PolarHBondContact O-N 3.35Å
252K87.1Confident79.6Confident40 Ų4082.7 Ų82.717%0.17439%0.392CS..Hα-helixtrans-59.8-44.5172.8-67.6179.4171.8179.80111.5V242 K243 L245 L247 P248 N249 L255 S256V242-K252 HydrophobicContact CG1-CB 4.03Å; V242-K252 HydrophobicContact CG1-CG 4.32Å; V242-K252 WeakPolarHBondContact CG1-O 3.21Å; K243-K252 WeakPolarHBondContact O-CE 3.38Å; K243-K252 PolarHBondContact O-NZ 2.99Å; L245-K252 WeakPolarHBondContact O-CE 3.47Å; L245-K252 PolarHBondContact O-NZ 3.41Å; L247-K252 HydrophobicContact CB-CG 4.22Å; L247-K252 WeakPolarHBondContact O-CE 3.46Å; P248-K252 PolarHBondContact O-N 3.23Å; N249-K252 CarbonylContact O-C 3.6Å; N249-K252 WeakPolarHBondContact O-CB 3.5Å; N249-K252 PolarHBondContact O-N 3.07Å; N249-K252 VanDerWaalsContact O-N 3.08Å; K252-L255 PolarHBondContact O-N 3.05Å; K252-S256 VanDerWaalsContact O-CB 3.22Å; K252-S256 WeakPolarHBondContact O-CB 3.38Å; K252-S256 PolarHBondContact O-N 3.41Å; K252-S256 PolarHBondContact O-OG 2.85Å
253D84.2Confident77.9Confident69 Ų6985 Ų8537%0.36941%0.406SS..Hα-helixtrans-65.2-45.3179.1-70-28000110.9N249 L251 L255 S256 F257N249-D253 PolarHBondContact O-N 3.34Å; L251-D253 VanDerWaalsContact C-N 3.32Å; L251-D253 PolarHBondContact O-N 3.49Å; D253-L255 PolarHBondContact O-N 3.16Å; D253-S256 WeakPolarHBondContact CA-OG 3.47Å; D253-S256 PolarHBondContact O-N 3.04Å; D253-S256 VanDerWaalsContact O-N 3.14Å; D253-S256 PolarHBondContact O-OG 2.9Å; D253-F257 PolarHBondContact O-N 3.04Å
254Y85.2Confident75.8Confident36 Ų3684 Ų8414%0.14141%0.411CS..Hα-helixtrans-59.2-42.5174.2177.9-109.8000113Q223 S224 R227 I250 L251 S256Q223-Y254 HydrophobicContact CG-CD1 4.43Å; Q223-Y254 HydrophobicContact CG-CE1 3.55Å; Q223-Y254 PolarHBondContact O-OH 3.05Å; S224-Y254 WeakPolarHBondContact CA-OH 3.45Å; R227-Y254 HydrophobicContact CB-CD1 4.44Å; R227-Y254 HydrophobicContact CB-CE1 3.64Å; R227-Y254 VanDerWaalsContact CD-O 3.32Å; R227-Y254 WeakPolarHBondContact CD-O 3.48Å; R227-Y254 HydrophobicContact CG-CE1 4.06Å; R227-Y254 VanDerWaalsContact NH1-CE2 3.34Å; I250-Y254 WeakPolarHBondContact O-CB 3.22Å; I250-Y254 PolarHBondContact O-N 3.3Å; L251-Y254 PolarHBondContact O-N 2.51Å; Y254-S256 VanDerWaalsContact C-N 3.3Å; Y254-S256 PolarHBondContact O-N 2.59Å
255L84.5Confident73.4Confident11 Ų1189.5 Ų89.56%0.05844%0.437CS..Hα-helixtrans-70.9-25176.5-71.4174.7000113.1R227 I230 V242 L245 L247 L251 K252 D253 F257R227-L255 HydrophobicContact CB-CD2 4.26Å; R227-L255 HydrophobicContact CG-CD2 4.1Å; I230-L255 HydrophobicContact CB-CD2 4.05Å; I230-L255 HydrophobicContact CD1-CD1 4.43Å; I230-L255 HydrophobicContact CD1-CD2 3.97Å; I230-L255 HydrophobicContact CG2-CD1 4.13Å; I230-L255 HydrophobicContact CG2-CD2 3.98Å; V242-L255 HydrophobicContact CG1-CB 3.76Å; V242-L255 HydrophobicContact CG1-CD1 4.35Å; V242-L255 HydrophobicContact CG2-CB 4.38Å; L245-L255 HydrophobicContact CD1-CD1 4.21Å; L247-L255 HydrophobicContact CD1-CD1 3.6Å; L251-L255 VanDerWaalsContact O-CB 3.31Å; L251-L255 WeakPolarHBondContact O-CB 3.47Å; L251-L255 WeakPolarHBondContact O-CG 3.37Å; L251-L255 PolarHBondContact O-N 3.35Å; K252-L255 PolarHBondContact O-N 3.05Å; D253-L255 PolarHBondContact O-N 3.16Å; L255-F257 VanDerWaalsContact C-N 3.34Å; L255-F257 VanDerWaalsContact O-CD2 3.31Å; L255-F257 WeakPolarHBondContact O-CD2 3.22Å; L255-F257 WeakPolarHBondContact O-CE2 3.34Å
256S78.7Confident72.9Confident30 Ų3091.8 Ų91.821%0.2145%0.448CS..THydrogen-bonded Turntrans-84.7-4.9-17771.80000114.4K252 D253 Y254 R258K252-S256 VanDerWaalsContact O-CB 3.22Å; K252-S256 WeakPolarHBondContact O-CB 3.38Å; K252-S256 PolarHBondContact O-N 3.41Å; K252-S256 PolarHBondContact O-OG 2.85Å; D253-S256 WeakPolarHBondContact CA-OG 3.47Å; D253-S256 PolarHBondContact O-N 3.04Å; D253-S256 VanDerWaalsContact O-N 3.14Å; D253-S256 PolarHBondContact O-OG 2.9Å; Y254-S256 VanDerWaalsContact C-N 3.3Å; Y254-S256 PolarHBondContact O-N 2.59Å; S256-R258 PolarHBondContact O-N 3.29Å; S256-R258 VanDerWaalsContact O-N 3.12Å; S256-R258 WeakPolarHBondContact OG-CB 3.47Å; S256-R258 VanDerWaalsContact OG-CD 3.24Å; S256-R258 WeakPolarHBondContact OG-CD 3.47Å; S256-R258 WeakPolarHBondContact OG-CG 3.35Å; S256-R258 PolarHBondContact OG-N 3.36Å
257F77.6Confident72Confident5 Ų584.2 Ų84.22%0.02242%0.422CS..THydrogen-bonded Turntrans52.929.6-174.4-58.8-98.8000112.4Y147 F184 R227 F231 D253 L255 Q259 F260Y147-F257 HydrophobicContact CE2-CB 4.27Å; Y147-F257 PolarHBondContact OH-O 3.07Å; F184-F257 HydrophobicContact CD1-CD1 4.39Å; F184-F257 AromaticContact CD1-CE1 3.97Å; F184-F257 HydrophobicContact CD1-CE1 3.97Å; F184-F257 HydrophobicContact CD1-CZ 4.06Å; F184-F257 HydrophobicContact CD2-CD1 4.14Å; F184-F257 HydrophobicContact CD2-CE1 4.17Å; F184-F257 AromaticContact CE1-CD1 3.82Å; F184-F257 HydrophobicContact CE1-CD1 3.82Å; F184-F257 AromaticContact CE1-CD2 3.97Å; F184-F257 HydrophobicContact CE1-CD2 3.97Å; F184-F257 AromaticContact CE1-CE1 3.76Å; F184-F257 HydrophobicContact CE1-CE1 3.76Å; F184-F257 AromaticContact CE1-CE2 3.91Å; F184-F257 HydrophobicContact CE1-CE2 3.91Å; F184-F257 AromaticContact CE1-CG 3.94Å; F184-F257 HydrophobicContact CE1-CG 3.94Å; F184-F257 AromaticContact CE1-CZ 3.8Å; F184-F257 HydrophobicContact CE1-CZ 3.8Å; F184-F257 HydrophobicContact CE2-CB 4.37Å; F184-F257 AromaticContact CE2-CD1 3.52Å; F184-F257 HydrophobicContact CE2-CD1 3.52Å; F184-F257 AromaticContact CE2-CE1 3.97Å; F184-F257 HydrophobicContact CE2-CE1 3.97Å; F184-F257 HydrophobicContact CE2-CG 4.04Å; F184-F257 HydrophobicContact CG-CE1 4.18Å; F184-F257 HydrophobicContact CZ-CB 3.88Å; F184-F257 AromaticContact CZ-CD1 3.35Å; F184-F257 HydrophobicContact CZ-CD1 3.35Å; F184-F257 AromaticContact CZ-CD2 3.92Å; F184-F257 HydrophobicContact CZ-CD2 3.92Å; F184-F257 AromaticContact CZ-CE1 3.77Å; F184-F257 HydrophobicContact CZ-CE1 3.77Å; F184-F257 HydrophobicContact CZ-CE2 4.29Å; F184-F257 AromaticContact CZ-CG 3.45Å; F184-F257 HydrophobicContact CZ-CG 3.45Å; F184-F257 VanDerWaalsContact CZ-CG 3.45Å; F184-F257 HydrophobicContact CZ-CZ 4.22Å; R227-F257 HydrophobicContact CG-CE1 4.44Å; R227-F257 HydrophobicContact CG-CE2 4.18Å; R227-F257 HydrophobicContact CG-CZ 3.78Å; F231-F257 HydrophobicContact CB-CE2 4.3Å; F231-F257 HydrophobicContact CD2-CD2 4.28Å; F231-F257 AromaticContact CD2-CE2 3.61Å; F231-F257 HydrophobicContact CD2-CE2 3.61Å; F231-F257 HydrophobicContact CE2-CD2 4.4Å; F231-F257 HydrophobicContact CE2-CE2 4.05Å; F231-F257 AromaticContact CG-CE2 3.94Å; F231-F257 HydrophobicContact CG-CE2 3.94Å; F231-F257 HydrophobicContact CG-CZ 4.46Å; D253-F257 PolarHBondContact O-N 3.04Å; L255-F257 VanDerWaalsContact C-N 3.34Å; L255-F257 VanDerWaalsContact O-CD2 3.31Å; L255-F257 WeakPolarHBondContact O-CD2 3.22Å; L255-F257 WeakPolarHBondContact O-CE2 3.34Å; F257-Q259 PolarHBondContact O-N 3.05Å; F257-F260 HydrophobicContact CB-CD2 3.93Å; F257-F260 HydrophobicContact CB-CE2 3.85Å; F257-F260 AromaticContact CD1-CE2 3.75Å; F257-F260 HydrophobicContact CD1-CE2 3.75Å; F257-F260 HydrophobicContact CD1-CZ 4.5Å; F257-F260 HydrophobicContact CG-CE2 4.29Å; F257-F260 WeakPolarHBondContact O-CD2 3.37Å
258R67.9Low71.1Confident148 Ų14885.3 Ų85.356%0.55843%0.427SS*.THydrogen-bonded Turntrans-73.1-9.7-178.2-82.9174.2174.8-153.5-15.6115K243 S256 F260K243-R258 VanDerWaalsContact CE-NH2 3.26Å; S256-R258 PolarHBondContact O-N 3.29Å; S256-R258 VanDerWaalsContact O-N 3.12Å; S256-R258 WeakPolarHBondContact OG-CB 3.47Å; S256-R258 VanDerWaalsContact OG-CD 3.24Å; S256-R258 WeakPolarHBondContact OG-CD 3.47Å; S256-R258 WeakPolarHBondContact OG-CG 3.35Å; S256-R258 PolarHBondContact OG-N 3.36Å; R258-F260 PolarHBondContact O-N 2.83Å
259Q66.9Low69.9Low125 Ų12585.6 Ų85.658%0.58442%0.422SS*.THydrogen-bonded Turntrans-74.6-9.9-177.7-65176-6.200112.9F257F257-Q259 PolarHBondContact O-N 3.05Å
260F64.5Low68.8Low17 Ų1783.6 Ų83.68%0.07541%0.409CS..  trans-86.1114.7178-56.9-80.9000110.3Y147 Y179 L180 E183 F257 R258 F262Y147-F260 HydrophobicContact CD2-CB 4.1Å; Y147-F260 HydrophobicContact CD2-CD2 4.48Å; Y147-F260 HydrophobicContact CD2-CG 4.49Å; Y147-F260 HydrophobicContact CE2-CB 4Å; Y147-F260 AromaticContact CE2-CD2 3.97Å; Y147-F260 HydrophobicContact CE2-CD2 3.97Å; Y147-F260 HydrophobicContact CE2-CG 4.32Å; Y179-F260 HydrophobicContact CD1-CD1 4.34Å; Y179-F260 AromaticContact CD1-CE1 3.75Å; Y179-F260 HydrophobicContact CD1-CE1 3.75Å; Y179-F260 HydrophobicContact CE1-CD1 4.18Å; Y179-F260 AromaticContact CE1-CE1 3.42Å; Y179-F260 HydrophobicContact CE1-CE1 3.42Å; Y179-F260 VanDerWaalsContact CE1-CE1 3.42Å; Y179-F260 HydrophobicContact CE1-CZ 4.25Å; L180-F260 HydrophobicContact CD1-CD1 3.81Å; L180-F260 HydrophobicContact CD1-CD2 4.22Å; L180-F260 HydrophobicContact CD1-CE1 3.99Å; L180-F260 HydrophobicContact CD1-CE2 4.5Å; L180-F260 HydrophobicContact CD1-CG 3.95Å; L180-F260 HydrophobicContact CD1-CZ 4.38Å; E183-F260 HydrophobicContact CB-CE1 4.2Å; E183-F260 HydrophobicContact CB-CZ 3.66Å; E183-F260 HydrophobicContact CG-CE1 3.9Å; E183-F260 HydrophobicContact CG-CZ 3.62Å; F257-F260 HydrophobicContact CB-CD2 3.93Å; F257-F260 HydrophobicContact CB-CE2 3.85Å; F257-F260 AromaticContact CD1-CE2 3.75Å; F257-F260 HydrophobicContact CD1-CE2 3.75Å; F257-F260 HydrophobicContact CD1-CZ 4.5Å; F257-F260 HydrophobicContact CG-CE2 4.29Å; F257-F260 WeakPolarHBondContact O-CD2 3.37Å; R258-F260 PolarHBondContact O-N 2.83Å; F260-F262 HydrophobicContact CB-CD2 3.95Å; F260-F262 HydrophobicContact CB-CE2 4.33Å; F260-F262 HydrophobicContact CD1-CE2 4.39Å; F260-F262 PolarHBondContact O-N 3.14Å; F260-F262 VanDerWaalsContact O-N 3.1Å
261H58.6Low67.6Low157 Ų15780.3 Ų80.373%0.72739%0.391SS*.  trans-71.84.3-176.7-70.4-63.1000115.1V263H261-V263 PolarHBondContact O-N 3.44Å
262F57.4Low66.1Low56 Ų5680.8 Ų80.825%0.24639%0.391CS..SBendtrans-73.88.3-177.9-51.6-66.1000114.2Y143 D176 F260Y143-F262 HydrophobicContact CD1-CD1 4.49Å; Y143-F262 HydrophobicContact CD1-CE1 4.39Å; Y143-F262 HydrophobicContact CG-CD1 4.36Å; D176-F262 HydrophobicContact CB-CE1 3.92Å; D176-F262 HydrophobicContact CB-CE2 4.49Å; D176-F262 HydrophobicContact CB-CZ 3.54Å; F260-F262 HydrophobicContact CB-CD2 3.95Å; F260-F262 HydrophobicContact CB-CE2 4.33Å; F260-F262 HydrophobicContact CD1-CE2 4.39Å; F260-F262 PolarHBondContact O-N 3.14Å; F260-F262 VanDerWaalsContact O-N 3.1Å
263V45.3Very low64.5Low73 Ų7383.9 Ų83.944%0.44241%0.408SS..  trans-134.267.3-178.8-166.70000109.5Y147 H261Y147-V263 HydrophobicContact CD1-CG2 3.38Å; Y147-V263 HydrophobicContact CE1-CG2 3.57Å; Y147-V263 HydrophobicContact CG-CG2 4.06Å; H261-V263 PolarHBondContact O-N 3.44Å
264T34.6Very low62.9Low113 Ų11385.2 Ų85.269%0.69341%0.411SS*.  trans-133.172.1159.854.50000108.5
265E33.4Very low60.9Low251 Ų25189.6 Ų89.6100%1.17344%0.435SS*.  trans1740152.6-94168.6-155.600108.3

Retrieved 265 of 265 residues in 864.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).