A0A5K4FB80_SCHMA Loading...

Annexin

AlphaFold DB , UniProt , Accession A0A5K4FB80, 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
1M34.5Very low59.1Low239 Ų239115.8 Ų115.8100%1.17758%0.584SS**  095.40-79.8175.9167.300106.7N3M1-N3 VanDerWaalsContact C-N 3.28Å; M1-N3 PolarHBondContact O-N 2.92Å
2E39.1Very low61.4Low182 Ų182106.3 Ų106.385%0.8554%0.535SS*.  trans-63.398.3167.1-79.5177148.300106.7I4E2-I4 HydrophobicContact CB-CG1 4.37Å; E2-I4 PolarHBondContact O-N 2.84Å
3N40.1Very low63.4Low142 Ų142104.5 Ų104.576%0.75953%0.527SS*.  trans-71.883.1168.3-1512.5000104.7M1 K5M1-N3 VanDerWaalsContact C-N 3.28Å; M1-N3 PolarHBondContact O-N 2.92Å; N3-K5 PolarHBondContact O-N 2.71Å
4I42.2Very low65.5Low130 Ų130102.2 Ų102.267%0.66751%0.514SS*.  trans-6085.6168.2-59.3171.3000104.3E2 P6E2-I4 HydrophobicContact CB-CG1 4.37Å; E2-I4 PolarHBondContact O-N 2.84Å; I4-P6 VanDerWaalsContact C-N 3.32Å; I4-P6 WeakPolarHBondContact O-CD 3.39Å; I4-P6 WeakPolarHBondContact O-CG 2.99Å
5K51.3Low67.4Low138 Ų13895.9 Ų95.960%0.648%0.482SS*.  trans-61.9102165.5-86-172.4177.1178.80104.2N3N3-K5 PolarHBondContact O-N 2.71Å
6P51.3Low68.8Low100 Ų10095.2 Ų95.265%0.64948%0.48SS*.THydrogen-bonded Turntrans-70.2145.4-170.2-5.523.1000106.9I4 N8I4-P6 VanDerWaalsContact C-N 3.32Å; I4-P6 WeakPolarHBondContact O-CD 3.39Å; I4-P6 WeakPolarHBondContact O-CG 2.99Å; P6-N8 PolarHBondContact O-N 2.84Å
7N66.5Low70.3Confident83 Ų8398.1 Ų98.144%0.44450%0.496SS..THydrogen-bonded Turntrans85-0.1154.4-144.145.9000119.6L9 K10 L11N7-L9 PolarHBondContact O-N 2.82Å; N7-K10 WeakPolarHBondContact O-CB 3.4Å; N7-K10 PolarHBondContact O-N 3.45Å; N7-K10 VanDerWaalsContact O-N 3.1Å; N7-K10 WeakPolarHBondContact OD1-CB 3.35Å; N7-K10 WeakPolarHBondContact OD1-CD 3.13Å; N7-L11 WeakPolarHBondContact O-CG 3.36Å; N7-L11 PolarHBondContact O-N 2.93Å
8N73.4Confident71.6Confident48 Ų4895.5 Ų95.526%0.25749%0.486SS..Hα-helixtrans-64.9-36.5-178.9-69.9-2000114.6P6 K10 L11 L12 Q248P6-N8 PolarHBondContact O-N 2.84Å; N8-K10 VanDerWaalsContact C-N 3.27Å; N8-K10 PolarHBondContact O-N 3.43Å; N8-L11 PolarHBondContact O-N 3.28Å; N8-L12 PolarHBondContact O-N 3.13Å; N8-Q248 HydrophobicContact CB-CB 4.42Å; N8-Q248 VanDerWaalsContact CB-CD 3.43Å; N8-Q248 HydrophobicContact CB-CG 4.34Å; N8-Q248 PolarHBondContact ND2-OE1 3.36Å
9L79.2Confident72.8Confident60 Ų6095.2 Ų95.231%0.31449%0.486SS..Hα-helixtrans-63.4-36.9173.8178.365.6000111.2N7 L11 L12 I13 K247 A251N7-L9 PolarHBondContact O-N 2.82Å; L9-L11 VanDerWaalsContact C-N 3.33Å; L9-L12 HydrophobicContact CD1-CD2 4.48Å; L9-L12 PolarHBondContact O-N 3.09Å; L9-I13 HydrophobicContact CD1-CD1 4.35Å; L9-I13 HydrophobicContact CD1-CG1 4.48Å; L9-I13 HydrophobicContact CG-CD1 4.01Å; L9-I13 WeakPolarHBondContact O-CG1 3.48Å; L9-I13 PolarHBondContact O-N 2.94Å; L9-K247 HydrophobicContact CD2-CB 3.87Å; L9-K247 HydrophobicContact CD2-CD 4.01Å; L9-A251 HydrophobicContact CD1-CB 4.28Å
10K85.6Confident73.9Confident106 Ų10694.6 Ų94.646%0.46148%0.483SS..Hα-helixtrans-63.2-43.6175.2-168.9-172.7-177.7-114.80110.2N7 N8 L12 I13 E14N7-K10 WeakPolarHBondContact O-CB 3.4Å; N7-K10 PolarHBondContact O-N 3.45Å; N7-K10 VanDerWaalsContact O-N 3.1Å; N7-K10 WeakPolarHBondContact OD1-CB 3.35Å; N7-K10 WeakPolarHBondContact OD1-CD 3.13Å; N8-K10 VanDerWaalsContact C-N 3.27Å; N8-K10 PolarHBondContact O-N 3.43Å; K10-L12 VanDerWaalsContact C-N 3.32Å; K10-L12 PolarHBondContact O-N 3.22Å; K10-I13 PolarHBondContact O-N 2.87Å; K10-E14 WeakPolarHBondContact CE-OE1 2.89Å; K10-E14 HydrophobicContact CG-CG 4.38Å; K10-E14 IonicContact NZ-OE1 2.66Å; K10-E14 PolarHBondContact NZ-OE1 3.5Å; K10-E14 WeakPolarHBondContact O-CB 3.06Å; K10-E14 VanDerWaalsContact O-CG 3.27Å; K10-E14 WeakPolarHBondContact O-CG 3.47Å; K10-E14 PolarHBondContact O-N 3.18Å
11L86.9Confident74.9Confident46 Ų4690.7 Ų90.724%0.24146%0.464CS..Hα-helixtrans-61.9-38.9176.2-65.4169.1000111.9N7 N8 L9 E14 D15 L207N7-L11 WeakPolarHBondContact O-CG 3.36Å; N7-L11 PolarHBondContact O-N 2.93Å; N8-L11 PolarHBondContact O-N 3.28Å; L9-L11 VanDerWaalsContact C-N 3.33Å; L11-E14 PolarHBondContact O-N 3.32Å; L11-D15 WeakPolarHBondContact O-CB 3.48Å; L11-D15 PolarHBondContact O-N 2.96Å; L11-L207 HydrophobicContact CB-CD2 3.89Å; L11-L207 HydrophobicContact CD1-CD1 4.41Å; L11-L207 HydrophobicContact CD1-CD2 3.94Å; L11-L207 HydrophobicContact CG-CD2 4.41Å
12L87.2Confident77.9Confident1 Ų182.1 Ų82.11%0.00542%0.422CS..Hα-helixtrans-63.2-46.1172.8177.660.5000112.4N8 L9 K10 E14 D15 L16 Q210 I214 Q248 A251 L252N8-L12 PolarHBondContact O-N 3.13Å; L9-L12 HydrophobicContact CD1-CD2 4.48Å; L9-L12 PolarHBondContact O-N 3.09Å; K10-L12 VanDerWaalsContact C-N 3.32Å; K10-L12 PolarHBondContact O-N 3.22Å; L12-E14 VanDerWaalsContact C-N 3.32Å; L12-D15 PolarHBondContact O-N 3.44Å; L12-L16 HydrophobicContact CD1-CD1 4.11Å; L12-L16 HydrophobicContact CD1-CG 4.16Å; L12-L16 HydrophobicContact CG-CD1 4.05Å; L12-L16 WeakPolarHBondContact O-CB 3.48Å; L12-L16 VanDerWaalsContact O-CG 3.29Å; L12-L16 WeakPolarHBondContact O-CG 3.26Å; L12-L16 PolarHBondContact O-N 3.04Å; L12-Q210 VanDerWaalsContact CA-NE2 3.31Å; L12-Q210 HydrophobicContact CD1-CG 3.93Å; L12-I214 HydrophobicContact CD1-CD1 3.82Å; L12-I214 HydrophobicContact CD1-CG1 4.44Å; L12-Q248 HydrophobicContact CD2-CG 4.42Å; L12-A251 HydrophobicContact CD2-CB 3.39Å; L12-L252 HydrophobicContact CD1-CD2 3.85Å; L12-L252 HydrophobicContact CD2-CD2 4.31Å; L12-L252 HydrophobicContact CD2-CG 4.14Å
13I87.5Confident80.6Confident83 Ų8373.6 Ų73.643%0.42638%0.383SS..Hα-helixtrans-64.1-40.8176.9-66.9167000110.6L9 K10 L16 L17L9-I13 HydrophobicContact CD1-CD1 4.35Å; L9-I13 HydrophobicContact CD1-CG1 4.48Å; L9-I13 HydrophobicContact CG-CD1 4.01Å; L9-I13 WeakPolarHBondContact O-CG1 3.48Å; L9-I13 PolarHBondContact O-N 2.94Å; K10-I13 PolarHBondContact O-N 2.87Å; I13-L16 PolarHBondContact O-N 3Å; I13-L17 HydrophobicContact CG2-CD1 3.76Å; I13-L17 HydrophobicContact CG2-CG 4.36Å; I13-L17 WeakPolarHBondContact O-CB 3.08Å; I13-L17 VanDerWaalsContact O-CG 3.23Å; I13-L17 WeakPolarHBondContact O-CG 3.48Å; I13-L17 PolarHBondContact O-N 2.66Å
14E92.1Very high83.4Confident73 Ų7368 Ų6834%0.34135%0.351SS..Hα-helixtrans-60.8-46.4175.1-75.8170.4178.400110.7K10 L11 L12 L17 T18K10-E14 WeakPolarHBondContact CE-OE1 2.89Å; K10-E14 HydrophobicContact CG-CG 4.38Å; K10-E14 IonicContact NZ-OE1 2.66Å; K10-E14 PolarHBondContact NZ-OE1 3.5Å; K10-E14 WeakPolarHBondContact O-CB 3.06Å; K10-E14 VanDerWaalsContact O-CG 3.27Å; K10-E14 WeakPolarHBondContact O-CG 3.47Å; K10-E14 PolarHBondContact O-N 3.18Å; L11-E14 PolarHBondContact O-N 3.32Å; L12-E14 VanDerWaalsContact C-N 3.32Å; E14-L17 PolarHBondContact O-N 3.37Å; E14-T18 WeakPolarHBondContact O-CB 3.47Å; E14-T18 PolarHBondContact O-N 3.23Å; E14-T18 PolarHBondContact O-OG1 3.02Å
15D93.6Very high86Confident8 Ų861.8 Ų61.84%0.04332%0.319CS..Hα-helixtrans-61.8-46.4175.6-76.1-17.9000111.1L11 L12 L17 T18 L23 Q210 R211 I214L11-D15 WeakPolarHBondContact O-CB 3.48Å; L11-D15 PolarHBondContact O-N 2.96Å; L12-D15 PolarHBondContact O-N 3.44Å; D15-L17 PolarHBondContact O-N 2.8Å; D15-T18 PolarHBondContact O-N 3.1Å; D15-T18 VanDerWaalsContact O-N 3.1Å; D15-L23 HydrophobicContact CB-CD1 4.22Å; D15-L23 HydrophobicContact CB-CD2 4.36Å; D15-L23 WeakPolarHBondContact O-CD1 3.29Å; D15-L23 WeakPolarHBondContact OD1-CD2 3.05Å; D15-Q210 PolarHBondContact OD2-NE2 3.02Å; D15-R211 IonicContact OD1-CZ 3.33Å; D15-R211 VanDerWaalsContact OD1-CZ 3.3Å; D15-R211 IonicContact OD1-NE 2.83Å; D15-R211 PolarHBondContact OD1-NE 3.3Å; D15-R211 IonicContact OD1-NH2 2.96Å; D15-R211 PolarHBondContact OD1-NH2 2.77Å; D15-R211 VanDerWaalsContact OD2-CG 3.32Å; D15-R211 WeakPolarHBondContact OD2-CG 3.34Å; D15-R211 IonicContact OD2-NE 4Å; D15-R211 PolarHBondContact OD2-NE 3Å; D15-R211 VanDerWaalsContact OD2-NE 3.15Å; D15-I214 HydrophobicContact CB-CD1 3.8Å
16L90.7Very high88.2Confident84 Ų8457.3 Ų57.344%0.4430%0.301SS..Hα-helixtrans-63.3-24179-71.8170.9000114L12 I13 I214 L255L12-L16 HydrophobicContact CD1-CD1 4.11Å; L12-L16 HydrophobicContact CD1-CG 4.16Å; L12-L16 HydrophobicContact CG-CD1 4.05Å; L12-L16 WeakPolarHBondContact O-CB 3.48Å; L12-L16 VanDerWaalsContact O-CG 3.29Å; L12-L16 WeakPolarHBondContact O-CG 3.26Å; L12-L16 PolarHBondContact O-N 3.04Å; I13-L16 PolarHBondContact O-N 3Å; L16-I214 HydrophobicContact CD2-CD1 4.21Å; L16-I214 HydrophobicContact CD2-CG1 4.15Å; L16-I214 HydrophobicContact CD2-CG2 4.14Å; L16-I214 HydrophobicContact CG-CD1 4.43Å; L16-L255 HydrophobicContact CD2-CD1 4.39Å
17L93.5Very high90.4Very high145 Ų14552.6 Ų52.676%0.75927%0.27SS*.Hα-helixtrans-96.7-8.2177.6-65.7175.2000113.1I13 E14 D15I13-L17 HydrophobicContact CG2-CD1 3.76Å; I13-L17 HydrophobicContact CG2-CG 4.36Å; I13-L17 WeakPolarHBondContact O-CB 3.08Å; I13-L17 VanDerWaalsContact O-CG 3.23Å; I13-L17 WeakPolarHBondContact O-CG 3.48Å; I13-L17 PolarHBondContact O-N 2.66Å; E14-L17 PolarHBondContact O-N 3.37Å; D15-L17 PolarHBondContact O-N 2.8Å
18T94.8Very high92Very high51 Ų5148.6 Ų48.631%0.31325%0.249SC..SBendtrans-88136.2-178.9-64.10000109.5E14 D15 I20 I22 L23E14-T18 WeakPolarHBondContact O-CB 3.47Å; E14-T18 PolarHBondContact O-N 3.23Å; E14-T18 PolarHBondContact O-OG1 3.02Å; D15-T18 PolarHBondContact O-N 3.1Å; D15-T18 VanDerWaalsContact O-N 3.1Å; T18-I20 PolarHBondContact O-N 2.69Å; T18-I22 HydrophobicContact CG2-CB 3.79Å; T18-I22 HydrophobicContact CG2-CD1 4.22Å; T18-I22 HydrophobicContact CG2-CG2 3.86Å; T18-L23 HydrophobicContact CG2-CD2 3.76Å; T18-L23 HydrophobicContact CG2-CG 3.93Å
19D94.3Very high93.1Very high90 Ų9050.6 Ų50.648%0.48125%0.253SS..  trans-53.5133.5175.2-177.3-85000111S21 I22 L23D19-S21 PolarHBondContact O-N 3.48Å; D19-S21 VanDerWaalsContact O-N 3.15Å; D19-S21 WeakPolarHBondContact OD1-CA 3.44Å; D19-S21 WeakPolarHBondContact OD1-CB 3.34Å; D19-S21 PolarHBondContact OD1-N 2.94Å; D19-S21 PolarHBondContact OD1-OG 3.41Å; D19-I22 HydrophobicContact CB-CD1 3.97Å; D19-I22 HydrophobicContact CB-CG1 4.16Å; D19-I22 WeakPolarHBondContact O-CB 3.41Å; D19-I22 PolarHBondContact O-N 3.35Å; D19-L23 PolarHBondContact O-N 3.31Å
20I93.8Very high94Very high83 Ų8350.2 Ų50.243%0.42625%0.249SC..Hα-helixtrans-60.7-31.4-171.9-150.4172.9000111.8T18 I22 L23 F24 F215T18-I20 PolarHBondContact O-N 2.69Å; I20-I22 VanDerWaalsContact C-N 3.27Å; I20-I22 PolarHBondContact O-N 2.75Å; I20-L23 PolarHBondContact O-N 2.91Å; I20-F24 HydrophobicContact CB-CD2 4.4Å; I20-F24 HydrophobicContact CB-CE2 4.45Å; I20-F24 HydrophobicContact CD1-CE2 3.78Å; I20-F24 HydrophobicContact CD1-CZ 4.48Å; I20-F24 HydrophobicContact CG1-CD2 3.86Å; I20-F24 HydrophobicContact CG1-CE2 3.61Å; I20-F24 HydrophobicContact CG2-CD2 4.19Å; I20-F24 HydrophobicContact CG2-CE2 4.21Å; I20-F24 WeakPolarHBondContact O-CB 3.29Å; I20-F24 WeakPolarHBondContact O-CD2 3.42Å; I20-F24 PolarHBondContact O-N 3.21Å; I20-F215 HydrophobicContact CD1-CD1 3.9Å; I20-F215 HydrophobicContact CD1-CE1 4.47Å; I20-F215 HydrophobicContact CG1-CD1 3.72Å; I20-F215 HydrophobicContact CG1-CE1 3.79Å
21S95.7Very high94.6Very high12 Ų1245.4 Ų45.48%0.08423%0.229CC..Hα-helixtrans-66.9-29.8178.574.10000112.4D19 A25D19-S21 PolarHBondContact O-N 3.48Å; D19-S21 VanDerWaalsContact O-N 3.15Å; D19-S21 WeakPolarHBondContact OD1-CA 3.44Å; D19-S21 WeakPolarHBondContact OD1-CB 3.34Å; D19-S21 PolarHBondContact OD1-N 2.94Å; D19-S21 PolarHBondContact OD1-OG 3.41Å; S21-A25 VanDerWaalsContact O-CB 3.28Å; S21-A25 WeakPolarHBondContact O-CB 3.2Å; S21-A25 PolarHBondContact O-N 3.13Å
22I97Very high95.1Very high60 Ų6043.3 Ų43.331%0.30822%0.218SC..Hα-helixtrans-70.3-47.7173.3-57.2172.2000110.4T18 D19 I20 F24 A25 E26 V58 Y62T18-I22 HydrophobicContact CG2-CB 3.79Å; T18-I22 HydrophobicContact CG2-CD1 4.22Å; T18-I22 HydrophobicContact CG2-CG2 3.86Å; D19-I22 HydrophobicContact CB-CD1 3.97Å; D19-I22 HydrophobicContact CB-CG1 4.16Å; D19-I22 WeakPolarHBondContact O-CB 3.41Å; D19-I22 PolarHBondContact O-N 3.35Å; I20-I22 VanDerWaalsContact C-N 3.27Å; I20-I22 PolarHBondContact O-N 2.75Å; I22-F24 VanDerWaalsContact C-N 3.33Å; I22-F24 PolarHBondContact O-N 3.13Å; I22-A25 PolarHBondContact O-N 2.94Å; I22-E26 PolarHBondContact O-N 3.3Å; I22-V58 HydrophobicContact CB-CG1 4.25Å; I22-V58 HydrophobicContact CG1-CG1 3.93Å; I22-V58 HydrophobicContact CG1-CG2 4.48Å; I22-V58 HydrophobicContact CG2-CG1 4.44Å; I22-Y62 WeakPolarHBondContact CG2-OH 3.44Å
23L96.4Very high95.6Very high3 Ų345.1 Ų45.12%0.01623%0.231CC..Hα-helixtrans-61.1-43.7176.7-62.9-176.3000111.6D15 T18 D19 I20 E26 E27 F215D15-L23 HydrophobicContact CB-CD1 4.22Å; D15-L23 HydrophobicContact CB-CD2 4.36Å; D15-L23 WeakPolarHBondContact O-CD1 3.29Å; D15-L23 WeakPolarHBondContact OD1-CD2 3.05Å; T18-L23 HydrophobicContact CG2-CD2 3.76Å; T18-L23 HydrophobicContact CG2-CG 3.93Å; D19-L23 PolarHBondContact O-N 3.31Å; I20-L23 PolarHBondContact O-N 2.91Å; L23-E26 PolarHBondContact O-N 3.22Å; L23-E27 WeakPolarHBondContact O-CB 3.4Å; L23-E27 WeakPolarHBondContact O-CG 3.38Å; L23-E27 PolarHBondContact O-N 2.83Å; L23-F215 HydrophobicContact CB-CE1 3.67Å; L23-F215 HydrophobicContact CB-CZ 3.75Å; L23-F215 HydrophobicContact CD1-CE1 4.08Å
24F97.5Very high96Very high23 Ų2345.8 Ų45.810%0.10124%0.239CC..Hα-helixtrans-59.7-45.8175.2-87.3-59.3000112I20 I22 E27 L28 L43 F47 V55 F215I20-F24 HydrophobicContact CB-CD2 4.4Å; I20-F24 HydrophobicContact CB-CE2 4.45Å; I20-F24 HydrophobicContact CD1-CE2 3.78Å; I20-F24 HydrophobicContact CD1-CZ 4.48Å; I20-F24 HydrophobicContact CG1-CD2 3.86Å; I20-F24 HydrophobicContact CG1-CE2 3.61Å; I20-F24 HydrophobicContact CG2-CD2 4.19Å; I20-F24 HydrophobicContact CG2-CE2 4.21Å; I20-F24 WeakPolarHBondContact O-CB 3.29Å; I20-F24 WeakPolarHBondContact O-CD2 3.42Å; I20-F24 PolarHBondContact O-N 3.21Å; I22-F24 VanDerWaalsContact C-N 3.33Å; I22-F24 PolarHBondContact O-N 3.13Å; F24-E27 PolarHBondContact O-N 3.41Å; F24-L28 WeakPolarHBondContact O-CB 3.29Å; F24-L28 PolarHBondContact O-N 3.28Å; F24-L43 HydrophobicContact CD1-CD2 3.83Å; F24-L43 HydrophobicContact CE1-CD2 3.79Å; F24-F47 HydrophobicContact CB-CE1 4.39Å; F24-F47 HydrophobicContact CB-CZ 4.22Å; F24-F47 AromaticContact CD1-CE1 3.85Å; F24-F47 HydrophobicContact CD1-CE1 3.85Å; F24-F47 AromaticContact CD1-CZ 3.9Å; F24-F47 HydrophobicContact CD1-CZ 3.9Å; F24-F47 HydrophobicContact CD2-CE1 4.06Å; F24-F47 HydrophobicContact CE1-CE1 4.1Å; F24-F47 HydrophobicContact CE1-CZ 4.45Å; F24-F47 HydrophobicContact CE2-CE1 4.28Å; F24-F47 AromaticContact CG-CE1 3.87Å; F24-F47 HydrophobicContact CG-CE1 3.87Å; F24-F47 HydrophobicContact CG-CZ 4.06Å; F24-F47 HydrophobicContact CZ-CE1 4.32Å; F24-V55 HydrophobicContact CB-CG1 4.11Å; F24-V55 HydrophobicContact CB-CG2 3.55Å; F24-V55 HydrophobicContact CD2-CG2 4.38Å; F24-V55 HydrophobicContact CG-CG2 4.21Å; F24-F215 HydrophobicContact CD1-CD2 4.11Å; F24-F215 AromaticContact CD1-CE2 3.71Å; F24-F215 HydrophobicContact CD1-CE2 3.71Å; F24-F215 AromaticContact CD1-CZ 3.94Å; F24-F215 HydrophobicContact CD1-CZ 3.94Å; F24-F215 HydrophobicContact CD2-CE1 4.48Å; F24-F215 HydrophobicContact CE1-CD1 4.37Å; F24-F215 AromaticContact CE1-CD2 3.51Å; F24-F215 HydrophobicContact CE1-CD2 3.51Å; F24-F215 HydrophobicContact CE1-CE1 4.46Å; F24-F215 AromaticContact CE1-CE2 3.62Å; F24-F215 HydrophobicContact CE1-CE2 3.62Å; F24-F215 AromaticContact CE1-CG 3.92Å; F24-F215 HydrophobicContact CE1-CG 3.92Å; F24-F215 HydrophobicContact CE1-CZ 4.11Å; F24-F215 HydrophobicContact CE2-CD1 4.3Å; F24-F215 HydrophobicContact CE2-CE1 4.43Å; F24-F215 HydrophobicContact CE2-CG 4.48Å; F24-F215 HydrophobicContact CG-CE2 4.4Å; F24-F215 HydrophobicContact CG-CZ 4.16Å; F24-F215 HydrophobicContact CZ-CB 4.19Å; F24-F215 HydrophobicContact CZ-CD1 4.06Å; F24-F215 AromaticContact CZ-CD2 3.9Å; F24-F215 HydrophobicContact CZ-CD2 3.9Å; F24-F215 HydrophobicContact CZ-CE1 4.4Å; F24-F215 HydrophobicContact CZ-CE2 4.26Å; F24-F215 AromaticContact CZ-CG 3.8Å; F24-F215 HydrophobicContact CZ-CG 3.8Å
25A98.1Very high96.2Very high0 Ų045.2 Ų45.20%024%0.243CC..Hα-helixtrans-62.9-43.1179.700000112.1S21 I22 Y29 V55 V58 Y62S21-A25 VanDerWaalsContact O-CB 3.28Å; S21-A25 WeakPolarHBondContact O-CB 3.2Å; S21-A25 PolarHBondContact O-N 3.13Å; I22-A25 PolarHBondContact O-N 2.94Å; A25-Y29 WeakPolarHBondContact O-CB 3.46Å; A25-Y29 PolarHBondContact O-N 3.28Å; A25-V55 HydrophobicContact CB-CG1 4.14Å; A25-V58 HydrophobicContact CB-CB 3.9Å; A25-V58 HydrophobicContact CB-CG1 3.81Å; A25-Y62 HydrophobicContact CB-CD2 4.12Å; A25-Y62 HydrophobicContact CB-CE2 3.84Å
26E97.7Very high96.4Very high44 Ų4446.5 Ų46.521%0.20625%0.25CC..Hα-helixtrans-65.7-46.2177.5-164.2-172.5158.700111.8I22 L23 Y29 K30 Y62 R211I22-E26 PolarHBondContact O-N 3.3Å; L23-E26 PolarHBondContact O-N 3.22Å; E26-Y29 PolarHBondContact O-N 2.83Å; E26-K30 WeakPolarHBondContact O-CG 3.27Å; E26-K30 PolarHBondContact O-N 2.68Å; E26-K30 WeakPolarHBondContact OE1-CE 3.36Å; E26-K30 IonicContact OE1-NZ 2.74Å; E26-K30 PolarHBondContact OE1-NZ 3.14Å; E26-Y62 HydrophobicContact CB-CE1 3.94Å; E26-Y62 HydrophobicContact CB-CE2 4.13Å; E26-Y62 HydrophobicContact CG-CD1 4.31Å; E26-Y62 HydrophobicContact CG-CE1 3.68Å; E26-R211 IonicContact OE1-NH1 3.78Å; E26-R211 PolarHBondContact OE1-NH1 2.88Å; E26-R211 IonicContact OE1-NH2 3.62Å; E26-R211 IonicContact OE2-CZ 3.85Å; E26-R211 VanDerWaalsContact OE2-CZ 3.31Å; E26-R211 IonicContact OE2-NH1 2.97Å; E26-R211 PolarHBondContact OE2-NH1 2.97Å; E26-R211 IonicContact OE2-NH2 3.3Å; E26-R211 PolarHBondContact OE2-NH2 3.11Å
27E97.8Very high96.7Very high1 Ų144 Ų441%0.00524%0.236CC..Hα-helixtrans-68.5-35.7179.2-70.1-51.6119.800112.2L23 F24 K30 A31 L43 T208 R211L23-E27 WeakPolarHBondContact O-CB 3.4Å; L23-E27 WeakPolarHBondContact O-CG 3.38Å; L23-E27 PolarHBondContact O-N 2.83Å; F24-E27 PolarHBondContact O-N 3.41Å; E27-K30 PolarHBondContact O-N 2.79Å; E27-K30 IonicContact OE1-NZ 3.74Å; E27-K30 PolarHBondContact OE1-NZ 3.45Å; E27-A31 VanDerWaalsContact O-CB 3.23Å; E27-A31 WeakPolarHBondContact O-CB 3.12Å; E27-A31 PolarHBondContact O-N 3.03Å; E27-L43 HydrophobicContact CB-CD1 3.95Å; E27-T208 WeakPolarHBondContact OE2-CA 3.47Å; E27-T208 VanDerWaalsContact OE2-CB 3.23Å; E27-T208 WeakPolarHBondContact OE2-CB 3.38Å; E27-T208 VanDerWaalsContact OE2-CG2 3.27Å; E27-T208 WeakPolarHBondContact OE2-CG2 3.48Å; E27-T208 PolarHBondContact OE2-OG1 2.82Å; E27-R211 HydrophobicContact CG-CB 4.15Å; E27-R211 VanDerWaalsContact OE1-CD 3.28Å; E27-R211 WeakPolarHBondContact OE1-CD 3.35Å; E27-R211 IonicContact OE1-CZ 3.31Å; E27-R211 IonicContact OE1-NE 3.15Å; E27-R211 IonicContact OE1-NH1 2.74Å; E27-R211 PolarHBondContact OE1-NH1 3.06Å
28L98.4Very high96.9Very high0 Ų039.3 Ų39.30%021%0.211CC..Hα-helixtrans-64.2-43.5173.6-17659.6000111F24 A31 I32 T40 L43 L44 V55 Y59 I67F24-L28 WeakPolarHBondContact O-CB 3.29Å; F24-L28 PolarHBondContact O-N 3.28Å; L28-A31 PolarHBondContact O-N 3.26Å; L28-I32 HydrophobicContact CD1-CD1 3.8Å; L28-I32 HydrophobicContact CD1-CG1 4.2Å; L28-I32 HydrophobicContact CG-CD1 3.8Å; L28-I32 WeakPolarHBondContact O-CB 3.4Å; L28-I32 WeakPolarHBondContact O-CD1 3.47Å; L28-I32 VanDerWaalsContact O-CG1 3.24Å; L28-I32 WeakPolarHBondContact O-CG1 3.23Å; L28-I32 PolarHBondContact O-N 3.29Å; L28-T40 HydrophobicContact CD1-CG2 4.1Å; L28-L43 HydrophobicContact CB-CD1 4.07Å; L28-L43 HydrophobicContact CD1-CD1 4.41Å; L28-L44 HydrophobicContact CD1-CD1 4.36Å; L28-L44 HydrophobicContact CD1-CD2 4.36Å; L28-L44 HydrophobicContact CD1-CG 4.13Å; L28-L44 HydrophobicContact CD2-CD2 4.15Å; L28-V55 HydrophobicContact CD2-CG1 4.35Å; L28-Y59 HydrophobicContact CB-CE2 4.45Å; L28-Y59 HydrophobicContact CD2-CD2 4.41Å; L28-Y59 HydrophobicContact CD2-CE2 4.48Å; L28-Y59 HydrophobicContact CG-CE2 4.23Å; L28-I67 HydrophobicContact CD2-CD1 3.86Å; L28-I67 HydrophobicContact CD2-CG1 4.26Å; L28-I67 HydrophobicContact CD2-CG2 3.95Å
29Y98.3Very high97Very high89 Ų8937 Ų3735%0.34920%0.197SC..Hα-helixtrans-61.2-47.2175.7171.7-100.4000111.8A25 E26 I32 S33 Y59 Y62A25-Y29 WeakPolarHBondContact O-CB 3.46Å; A25-Y29 PolarHBondContact O-N 3.28Å; E26-Y29 PolarHBondContact O-N 2.83Å; Y29-I32 PolarHBondContact O-N 2.71Å; Y29-S33 VanDerWaalsContact O-CB 3.28Å; Y29-S33 WeakPolarHBondContact O-CB 3.43Å; Y29-S33 PolarHBondContact O-N 3.42Å; Y29-S33 PolarHBondContact O-OG 3.36Å; Y29-Y59 HydrophobicContact CD2-CE2 4.42Å; Y29-Y62 VanDerWaalsContact CE2-O 3.25Å; Y29-Y62 WeakPolarHBondContact CE2-O 3.37Å; Y29-Y62 HydrophobicContact CG-CG 4.48Å
30K97.6Very high97.2Very high53 Ų5332.8 Ų32.823%0.2317%0.174CC..Hα-helixtrans-60.9-46.3176.2-73.8174.3-1731620111.7E26 E27 I32 S33 T34E26-K30 WeakPolarHBondContact O-CG 3.27Å; E26-K30 PolarHBondContact O-N 2.68Å; E26-K30 WeakPolarHBondContact OE1-CE 3.36Å; E26-K30 IonicContact OE1-NZ 2.74Å; E26-K30 PolarHBondContact OE1-NZ 3.14Å; E27-K30 PolarHBondContact O-N 2.79Å; E27-K30 IonicContact OE1-NZ 3.74Å; E27-K30 PolarHBondContact OE1-NZ 3.45Å; K30-I32 PolarHBondContact O-N 3.35Å; K30-S33 WeakPolarHBondContact CA-OG 3.45Å; K30-S33 PolarHBondContact O-N 3.33Å; K30-S33 PolarHBondContact O-OG 2.55Å; K30-T34 WeakPolarHBondContact O-CB 3.44Å; K30-T34 WeakPolarHBondContact O-CG2 3.29Å; K30-T34 PolarHBondContact O-N 3.35Å; K30-T34 PolarHBondContact O-OG1 3.09Å
31A97.8Very high97.5Very high4 Ų428.9 Ų28.93%0.03315%0.154CC..Hα-helixtrans-62.2-44.6-179.100000111.7E27 L28 T34 S35 N36 I39 T40E27-A31 VanDerWaalsContact O-CB 3.23Å; E27-A31 WeakPolarHBondContact O-CB 3.12Å; E27-A31 PolarHBondContact O-N 3.03Å; L28-A31 PolarHBondContact O-N 3.26Å; A31-T34 PolarHBondContact O-OG1 2.96Å; A31-S35 PolarHBondContact O-N 2.78Å; A31-N36 PolarHBondContact O-N 2.86Å; A31-I39 HydrophobicContact CB-CB 3.91Å; A31-I39 HydrophobicContact CB-CG2 3.73Å; A31-T40 WeakPolarHBondContact CB-OG1 3.24Å
32I98.3Very high97.6Very high2 Ų228.5 Ų28.51%0.0115%0.151CC..Hα-helixtrans-66.7-48.1177.8-65.3164.9000110.9L28 Y29 K30 T34 S35 T40 Y59 I67 S70 I71 R74 F75L28-I32 HydrophobicContact CD1-CD1 3.8Å; L28-I32 HydrophobicContact CD1-CG1 4.2Å; L28-I32 HydrophobicContact CG-CD1 3.8Å; L28-I32 WeakPolarHBondContact O-CB 3.4Å; L28-I32 WeakPolarHBondContact O-CD1 3.47Å; L28-I32 VanDerWaalsContact O-CG1 3.24Å; L28-I32 WeakPolarHBondContact O-CG1 3.23Å; L28-I32 PolarHBondContact O-N 3.29Å; Y29-I32 PolarHBondContact O-N 2.71Å; K30-I32 PolarHBondContact O-N 3.35Å; I32-T34 VanDerWaalsContact C-N 3.28Å; I32-T34 PolarHBondContact O-N 3.33Å; I32-S35 PolarHBondContact O-N 3.33Å; I32-T40 HydrophobicContact CG1-CG2 3.89Å; I32-Y59 HydrophobicContact CD1-CE2 4.45Å; I32-I67 HydrophobicContact CD1-CG2 4.23Å; I32-S70 WeakPolarHBondContact CG2-O 3.42Å; I32-I71 HydrophobicContact CD1-CD1 4.2Å; I32-I71 HydrophobicContact CD1-CG1 3.68Å; I32-I71 HydrophobicContact CG1-CG1 3.99Å; I32-R74 HydrophobicContact CG2-CB 4.29Å; I32-R74 HydrophobicContact CG2-CG 3.77Å; I32-R74 WeakPolarHBondContact O-CG 3.43Å; I32-F75 HydrophobicContact CG1-CE2 4.43Å
33S96.5Very high97.6Very high39 Ų3925.8 Ų25.827%0.27314%0.137SC..Hα-helixtrans-65-30.1-176.857.50000113.7Y29 K30 R74Y29-S33 VanDerWaalsContact O-CB 3.28Å; Y29-S33 WeakPolarHBondContact O-CB 3.43Å; Y29-S33 PolarHBondContact O-N 3.42Å; Y29-S33 PolarHBondContact O-OG 3.36Å; K30-S33 WeakPolarHBondContact CA-OG 3.45Å; K30-S33 PolarHBondContact O-N 3.33Å; K30-S33 PolarHBondContact O-OG 2.55Å; S33-R74 PolarHBondContact O-NH1 3.15Å; S33-R74 VanDerWaalsContact O-NH1 3.15Å
34T96Very high97.7Very high98 Ų9825.7 Ų25.760%0.60114%0.137SC*.THydrogen-bonded Turntrans-92.37.6175.160.10000113.5K30 A31 I32 N36K30-T34 WeakPolarHBondContact O-CB 3.44Å; K30-T34 WeakPolarHBondContact O-CG2 3.29Å; K30-T34 PolarHBondContact O-N 3.35Å; K30-T34 PolarHBondContact O-OG1 3.09Å; A31-T34 PolarHBondContact O-OG1 2.96Å; I32-T34 VanDerWaalsContact C-N 3.28Å; I32-T34 PolarHBondContact O-N 3.33Å; T34-N36 PolarHBondContact O-N 2.85Å
35S96.8Very high97.7Very high60 Ų6024.6 Ų24.642%0.4213%0.132SC..THydrogen-bonded Turntrans55.333.4-178.8-64.40000113.6A31 I32 I37A31-S35 PolarHBondContact O-N 2.78Å; I32-S35 PolarHBondContact O-N 3.33Å; S35-I37 PolarHBondContact O-N 2.89Å
36N96.9Very high97.6Very high36 Ų3625.7 Ų25.719%0.19314%0.138CC..  trans-88.485.1175.7-169.5-30.8000110.9A31 T34 Q38 I39 T40A31-N36 PolarHBondContact O-N 2.86Å; T34-N36 PolarHBondContact O-N 2.85Å; N36-Q38 VanDerWaalsContact C-N 3.28Å; N36-Q38 PolarHBondContact O-N 3.44Å; N36-Q38 PolarHBondContact OD1-N 2.78Å; N36-I39 VanDerWaalsContact ND2-CD1 3.3Å; N36-I39 WeakPolarHBondContact ND2-CD1 3.19Å; N36-I39 PolarHBondContact O-N 3.2Å; N36-I39 PolarHBondContact OD1-N 3.22Å; N36-I39 VanDerWaalsContact OD1-N 3.14Å; N36-T40 PolarHBondContact O-N 3.2Å; N36-T40 PolarHBondContact O-OG1 3.45Å; N36-T40 VanDerWaalsContact O-OG1 3.11Å
37I97.6Very high97.6Very high31 Ų3123.9 Ų23.916%0.15913%0.129CC..Hα-helixtrans-63.6-31-177.4-165.1169.2000113.5S35 T40 T41 F75 T79 Q172 L176S35-I37 PolarHBondContact O-N 2.89Å; I37-T40 PolarHBondContact O-N 3.38Å; I37-T41 WeakPolarHBondContact O-CB 3.31Å; I37-T41 PolarHBondContact O-N 3.49Å; I37-T41 PolarHBondContact O-OG1 2.87Å; I37-F75 HydrophobicContact CB-CD1 3.95Å; I37-F75 HydrophobicContact CB-CE1 3.62Å; I37-F75 HydrophobicContact CB-CZ 4.14Å; I37-F75 HydrophobicContact CD1-CD1 4.08Å; I37-F75 HydrophobicContact CD1-CG 4.34Å; I37-F75 HydrophobicContact CG1-CD1 4.16Å; I37-F75 HydrophobicContact CG1-CE1 4.21Å; I37-T79 HydrophobicContact CD1-CG2 3.97Å; I37-Q172 HydrophobicContact CD1-CG 3.2Å; I37-L176 HydrophobicContact CD1-CD1 4.39Å; I37-L176 HydrophobicContact CD1-CD2 3.89Å; I37-L176 HydrophobicContact CD1-CG 4.23Å; I37-L176 HydrophobicContact CG1-CD2 4.07Å
38Q97.6Very high97.3Very high46 Ų4626.6 Ų26.622%0.21514%0.14CC..Hα-helixtrans-62.8-47.5-179.7-177.4177.631.200110.6N36 T41 S42 L194 D197N36-Q38 VanDerWaalsContact C-N 3.28Å; N36-Q38 PolarHBondContact O-N 3.44Å; N36-Q38 PolarHBondContact OD1-N 2.78Å; Q38-T41 PolarHBondContact O-N 3.41Å; Q38-S42 WeakPolarHBondContact O-CB 3.39Å; Q38-S42 PolarHBondContact O-N 3.37Å; Q38-L194 HydrophobicContact CG-CD1 3.9Å; Q38-D197 PolarHBondContact NE2-OD2 3.19Å; Q38-D197 PolarHBondContact OE1-OD2 3.15Å
39I98.1Very high97.1Very high4 Ų427.6 Ų27.62%0.02115%0.149CC..Hα-helixtrans-71.3-44.4178.3-60.2-178.1000110.4A31 N36 T41 S42 L43 V198 I204 T208 L212A31-I39 HydrophobicContact CB-CB 3.91Å; A31-I39 HydrophobicContact CB-CG2 3.73Å; N36-I39 VanDerWaalsContact ND2-CD1 3.3Å; N36-I39 WeakPolarHBondContact ND2-CD1 3.19Å; N36-I39 PolarHBondContact O-N 3.2Å; N36-I39 PolarHBondContact OD1-N 3.22Å; N36-I39 VanDerWaalsContact OD1-N 3.14Å; I39-T41 PolarHBondContact O-N 2.86Å; I39-S42 PolarHBondContact O-N 3.18Å; I39-S42 VanDerWaalsContact O-N 3.16Å; I39-L43 HydrophobicContact CG2-CD1 4.03Å; I39-L43 HydrophobicContact CG2-CG 4.23Å; I39-L43 WeakPolarHBondContact O-CG 3.25Å; I39-L43 PolarHBondContact O-N 3.04Å; I39-V198 HydrophobicContact CD1-CG1 4.37Å; I39-I204 HydrophobicContact CD1-CD1 4.34Å; I39-I204 HydrophobicContact CD1-CG2 4.28Å; I39-T208 HydrophobicContact CD1-CG2 3.5Å; I39-T208 VanDerWaalsContact CD1-CG2 3.5Å; I39-L212 HydrophobicContact CD1-CD1 4.39Å; I39-L212 HydrophobicContact CG1-CD1 4.49Å
40T98.6Very high96.9Very high0 Ų028 Ų280%016%0.157CC..Hα-helixtrans-53.5-45174.8-61.90000111.4L28 A31 I32 N36 I37 L44 I71 F75 L83L28-T40 HydrophobicContact CD1-CG2 4.1Å; A31-T40 WeakPolarHBondContact CB-OG1 3.24Å; I32-T40 HydrophobicContact CG1-CG2 3.89Å; N36-T40 PolarHBondContact O-N 3.2Å; N36-T40 PolarHBondContact O-OG1 3.45Å; N36-T40 VanDerWaalsContact O-OG1 3.11Å; I37-T40 PolarHBondContact O-N 3.38Å; T40-L44 HydrophobicContact CG2-CD1 3.8Å; T40-L44 WeakPolarHBondContact O-CB 3.41Å; T40-L44 WeakPolarHBondContact O-CD1 3.47Å; T40-L44 VanDerWaalsContact O-CG 3.31Å; T40-L44 WeakPolarHBondContact O-CG 3.41Å; T40-L44 PolarHBondContact O-N 3.25Å; T40-I71 HydrophobicContact CG2-CD1 4.33Å; T40-I71 HydrophobicContact CG2-CG1 4.32Å; T40-F75 HydrophobicContact CG2-CE2 4.11Å; T40-L83 HydrophobicContact CG2-CD1 4.44Å
41T98.6Very high96.8Very high2 Ų229.3 Ų29.31%0.01217%0.165CC..Hα-helixtrans-65.1-50.2177.4-56.50000110.9I37 Q38 I39 L43 L44 I45 L83 L176I37-T41 WeakPolarHBondContact O-CB 3.31Å; I37-T41 PolarHBondContact O-N 3.49Å; I37-T41 PolarHBondContact O-OG1 2.87Å; Q38-T41 PolarHBondContact O-N 3.41Å; I39-T41 PolarHBondContact O-N 2.86Å; T41-L43 VanDerWaalsContact C-N 3.27Å; T41-L43 PolarHBondContact O-N 3.01Å; T41-L44 PolarHBondContact O-N 2.87Å; T41-I45 HydrophobicContact CG2-CD1 4.42Å; T41-I45 HydrophobicContact CG2-CG2 3.8Å; T41-I45 WeakPolarHBondContact O-CG1 3.34Å; T41-I45 WeakPolarHBondContact O-CG2 3.48Å; T41-I45 PolarHBondContact O-N 3.48Å; T41-L83 HydrophobicContact CG2-CD2 4.18Å; T41-L176 HydrophobicContact CG2-CD2 3.85Å; T41-L176 WeakPolarHBondContact OG1-CD2 3.34Å
42S98.2Very high96.8Very high3 Ų329.2 Ų29.22%0.02116%0.164CC..Hα-helixtrans-56.6-39.6-178.6-177.40000113.3Q38 I39 Y190 L194Q38-S42 WeakPolarHBondContact O-CB 3.39Å; Q38-S42 PolarHBondContact O-N 3.37Å; I39-S42 PolarHBondContact O-N 3.18Å; I39-S42 VanDerWaalsContact O-N 3.16Å; S42-Y190 WeakPolarHBondContact CA-OH 3.29Å; S42-Y190 VanDerWaalsContact CB-OH 3.26Å; S42-Y190 WeakPolarHBondContact CB-OH 3.42Å; S42-L194 WeakPolarHBondContact OG-CD2 3.39Å
43L98.2Very high96.7Very high3 Ų331.9 Ų31.92%0.01618%0.178CC..Hα-helixtrans-70.3-47178.6-59.8176.1000110.5F24 E27 L28 I39 T41 D46 F47 L212 F215F24-L43 HydrophobicContact CD1-CD2 3.83Å; F24-L43 HydrophobicContact CE1-CD2 3.79Å; E27-L43 HydrophobicContact CB-CD1 3.95Å; L28-L43 HydrophobicContact CB-CD1 4.07Å; L28-L43 HydrophobicContact CD1-CD1 4.41Å; I39-L43 HydrophobicContact CG2-CD1 4.03Å; I39-L43 HydrophobicContact CG2-CG 4.23Å; I39-L43 WeakPolarHBondContact O-CG 3.25Å; I39-L43 PolarHBondContact O-N 3.04Å; T41-L43 VanDerWaalsContact C-N 3.27Å; T41-L43 PolarHBondContact O-N 3.01Å; L43-D46 PolarHBondContact O-N 3.05Å; L43-F47 WeakPolarHBondContact O-CD2 3.32Å; L43-F47 WeakPolarHBondContact O-CE2 3.39Å; L43-L212 HydrophobicContact CD2-CD2 3.82Å; L43-F215 HydrophobicContact CD2-CD2 4.1Å; L43-F215 HydrophobicContact CD2-CE2 3.88Å
44L98.4Very high96.7Very high1 Ų134 Ų341%0.00518%0.184CC..Hα-helixtrans-70.6-37.1-175.1-69.4168.6000113.5L28 T40 T41 D46 F47 F52 W68 I71 L83 V87L28-L44 HydrophobicContact CD1-CD1 4.36Å; L28-L44 HydrophobicContact CD1-CD2 4.36Å; L28-L44 HydrophobicContact CD1-CG 4.13Å; L28-L44 HydrophobicContact CD2-CD2 4.15Å; T40-L44 HydrophobicContact CG2-CD1 3.8Å; T40-L44 WeakPolarHBondContact O-CB 3.41Å; T40-L44 WeakPolarHBondContact O-CD1 3.47Å; T40-L44 VanDerWaalsContact O-CG 3.31Å; T40-L44 WeakPolarHBondContact O-CG 3.41Å; T40-L44 PolarHBondContact O-N 3.25Å; T41-L44 PolarHBondContact O-N 2.87Å; L44-D46 PolarHBondContact O-N 3.47Å; L44-F47 HydrophobicContact CD2-CD2 4.2Å; L44-F47 HydrophobicContact CD2-CE2 4.03Å; L44-F52 HydrophobicContact CD2-CD2 4.11Å; L44-F52 HydrophobicContact CD2-CE2 3.89Å; L44-W68 HydrophobicContact CD1-CZ3 4.43Å; L44-W68 HydrophobicContact CD2-CH2 4.37Å; L44-I71 HydrophobicContact CD1-CD1 3.61Å; L44-L83 HydrophobicContact CD1-CB 4.23Å; L44-L83 HydrophobicContact CD1-CD1 3.98Å; L44-L83 HydrophobicContact CD1-CG 4.49Å; L44-V87 HydrophobicContact CB-CG2 4.14Å; L44-V87 HydrophobicContact CD2-CG2 4.18Å; L44-V87 WeakPolarHBondContact O-CG2 3.47Å
45I97.3Very high96.8Very high0 Ų029.5 Ų29.50%016%0.156CC..THydrogen-bonded Turntrans-75.1-9.6179.474176.2000112.7T41 L83 V86 R90 Y183 Y190T41-I45 HydrophobicContact CG2-CD1 4.42Å; T41-I45 HydrophobicContact CG2-CG2 3.8Å; T41-I45 WeakPolarHBondContact O-CG1 3.34Å; T41-I45 WeakPolarHBondContact O-CG2 3.48Å; T41-I45 PolarHBondContact O-N 3.48Å; I45-L83 HydrophobicContact CG2-CD2 4.5Å; I45-V86 HydrophobicContact CG2-CG1 4.17Å; I45-R90 PolarHBondContact O-NH1 3.49Å; I45-R90 PolarHBondContact O-NH2 2.81Å; I45-Y183 HydrophobicContact CD1-CD2 3.76Å; I45-Y183 HydrophobicContact CD1-CG 3.76Å; I45-Y183 HydrophobicContact CG1-CD2 3.97Å; I45-Y183 HydrophobicContact CG1-CE2 4.35Å; I45-Y183 HydrophobicContact CG1-CG 4.24Å; I45-Y190 HydrophobicContact CD1-CE1 3.96Å; I45-Y190 HydrophobicContact CD1-CE2 4.2Å
46D96.2Very high96.9Very high24 Ų2430.6 Ų30.613%0.12815%0.153CC..THydrogen-bonded Turntrans-94.7-14.6179.5-153.732.4000112.9L43 L44 Y183 R216L43-D46 PolarHBondContact O-N 3.05Å; L44-D46 PolarHBondContact O-N 3.47Å; D46-Y183 HydrophobicContact CB-CE2 4.21Å; D46-Y183 WeakPolarHBondContact OD1-CE2 3.35Å; D46-Y183 PolarHBondContact OD1-OH 3.44Å; D46-R216 IonicContact OD2-NH1 3.77Å
47F95.8Very high96.9Very high5 Ų533.5 Ų33.52%0.02217%0.169CC..  trans-68.6141.2180-65.9-46.1000113.9F24 L43 L44 E51 F52 V55 R90F24-F47 HydrophobicContact CB-CE1 4.39Å; F24-F47 HydrophobicContact CB-CZ 4.22Å; F24-F47 AromaticContact CD1-CE1 3.85Å; F24-F47 HydrophobicContact CD1-CE1 3.85Å; F24-F47 AromaticContact CD1-CZ 3.9Å; F24-F47 HydrophobicContact CD1-CZ 3.9Å; F24-F47 HydrophobicContact CD2-CE1 4.06Å; F24-F47 HydrophobicContact CE1-CE1 4.1Å; F24-F47 HydrophobicContact CE1-CZ 4.45Å; F24-F47 HydrophobicContact CE2-CE1 4.28Å; F24-F47 AromaticContact CG-CE1 3.87Å; F24-F47 HydrophobicContact CG-CE1 3.87Å; F24-F47 HydrophobicContact CG-CZ 4.06Å; F24-F47 HydrophobicContact CZ-CE1 4.32Å; L43-F47 WeakPolarHBondContact O-CD2 3.32Å; L43-F47 WeakPolarHBondContact O-CE2 3.39Å; L44-F47 HydrophobicContact CD2-CD2 4.2Å; L44-F47 HydrophobicContact CD2-CE2 4.03Å; F47-E51 WeakPolarHBondContact CA-OE2 3.38Å; F47-E51 HydrophobicContact CB-CB 4.4Å; F47-E51 HydrophobicContact CD1-CB 3.91Å; F47-E51 HydrophobicContact CG-CB 4.5Å; F47-F52 HydrophobicContact CB-CB 4.22Å; F47-F52 HydrophobicContact CD2-CB 4.18Å; F47-F52 AromaticContact CD2-CD2 3.98Å; F47-F52 HydrophobicContact CD2-CD2 3.98Å; F47-F52 HydrophobicContact CE2-CD2 4.29Å; F47-F52 HydrophobicContact CG-CB 4.3Å; F47-V55 HydrophobicContact CE1-CG2 3.76Å; F47-V55 HydrophobicContact CZ-CB 4.17Å; F47-V55 HydrophobicContact CZ-CG1 4.08Å; F47-V55 HydrophobicContact CZ-CG2 3.76Å; F47-R90 WeakPolarHBondContact O-CB 3.41Å; F47-R90 WeakPolarHBondContact O-CD 3.43Å
48W93.4Very high96.9Very high59 Ų5933.2 Ų33.222%0.22317%0.168CC..  trans-132.6151.5176.4-71.194.9000112.1D50 E51 R90 I94 N142 P143 F144W48-D50 PolarHBondContact O-N 3Å; W48-E51 PolarHBondContact N-OE2 2.9Å; W48-E51 VanDerWaalsContact O-CB 3.25Å; W48-E51 WeakPolarHBondContact O-CB 3.41Å; W48-E51 WeakPolarHBondContact O-CG 3.38Å; W48-E51 PolarHBondContact O-N 3.45Å; W48-E51 VanDerWaalsContact O-N 3.08Å; W48-R90 HydrophobicContact CD2-CB 4.45Å; W48-R90 HydrophobicContact CE3-CB 4.03Å; W48-R90 HydrophobicContact CE3-CG 4.35Å; W48-R90 HydrophobicContact CH2-CG 4.47Å; W48-R90 HydrophobicContact CZ3-CB 4.29Å; W48-R90 HydrophobicContact CZ3-CG 4.21Å; W48-I94 HydrophobicContact CE3-CD1 4.45Å; W48-I94 HydrophobicContact CH2-CD1 3.51Å; W48-I94 HydrophobicContact CZ3-CD1 3.32Å; W48-I94 HydrophobicContact CZ3-CG1 4.2Å; W48-N142 HydrophobicContact CH2-CB 4.49Å; W48-P143 HydrophobicContact CH2-CG 4.15Å; W48-P143 HydrophobicContact CZ2-CG 3.84Å; W48-F144 HydrophobicContact CH2-CD2 4.49Å; W48-F144 AromaticContact CH2-CE2 3.86Å; W48-F144 HydrophobicContact CH2-CE2 3.86Å; W48-F144 HydrophobicContact CZ2-CE2 4.31Å
49G92.9Very high96.9Very high20 Ų2031.3 Ų31.321%0.20616%0.159CC..THydrogen-bonded Turntrans57.9-124.6173.100000112.8R90 K91G49-R90 PolarHBondContact N-O 2.91Å; G49-R90 VanDerWaalsContact N-O 3.15Å; G49-K91 WeakPolarHBondContact O-CG 3.4Å
50D94.4Very high96.9Very high97 Ų9737.1 Ų37.152%0.51918%0.184SC..THydrogen-bonded Turntrans-93.30.5-18066.8-42.1000114.1W48 F52 D53 Q54W48-D50 PolarHBondContact O-N 3Å; D50-F52 VanDerWaalsContact C-N 3.29Å; D50-F52 PolarHBondContact O-N 2.96Å; D50-D53 WeakPolarHBondContact O-CA 3.25Å; D50-D53 PolarHBondContact O-N 3.39Å; D50-Q54 WeakPolarHBondContact O-CG 3.37Å; D50-Q54 PolarHBondContact O-N 3.27Å; D50-Q54 PolarHBondContact OD2-NE2 2.94Å
51E95.4Very high96.8Very high82 Ų8243.7 Ų43.738%0.38322%0.218SC..Hα-helixtrans-54.3-44-178.9-68.516917700112F47 W48 D53 Q54 V55F47-E51 WeakPolarHBondContact CA-OE2 3.38Å; F47-E51 HydrophobicContact CB-CB 4.4Å; F47-E51 HydrophobicContact CD1-CB 3.91Å; F47-E51 HydrophobicContact CG-CB 4.5Å; W48-E51 PolarHBondContact N-OE2 2.9Å; W48-E51 VanDerWaalsContact O-CB 3.25Å; W48-E51 WeakPolarHBondContact O-CB 3.41Å; W48-E51 WeakPolarHBondContact O-CG 3.38Å; W48-E51 PolarHBondContact O-N 3.45Å; W48-E51 VanDerWaalsContact O-N 3.08Å; E51-D53 VanDerWaalsContact C-N 3.31Å; E51-D53 PolarHBondContact O-N 3.3Å; E51-Q54 WeakPolarHBondContact O-CB 3.33Å; E51-Q54 PolarHBondContact O-N 3.41Å; E51-V55 WeakPolarHBondContact O-CG2 3.34Å; E51-V55 PolarHBondContact O-N 3.41Å
52F97.2Very high96.7Very high2 Ų246.8 Ų46.81%0.00923%0.23CC..Hα-helixtrans-61.6-39175.9174.9-98.2000112.2L44 F47 D50 V55 K56 I67 W68 V87L44-F52 HydrophobicContact CD2-CD2 4.11Å; L44-F52 HydrophobicContact CD2-CE2 3.89Å; F47-F52 HydrophobicContact CB-CB 4.22Å; F47-F52 HydrophobicContact CD2-CB 4.18Å; F47-F52 AromaticContact CD2-CD2 3.98Å; F47-F52 HydrophobicContact CD2-CD2 3.98Å; F47-F52 HydrophobicContact CE2-CD2 4.29Å; F47-F52 HydrophobicContact CG-CB 4.3Å; D50-F52 VanDerWaalsContact C-N 3.29Å; D50-F52 PolarHBondContact O-N 2.96Å; F52-V55 PolarHBondContact O-N 3.12Å; F52-K56 HydrophobicContact CE1-CB 4.31Å; F52-K56 HydrophobicContact CE1-CD 3.83Å; F52-K56 HydrophobicContact CZ-CB 4.47Å; F52-K56 HydrophobicContact CZ-CD 4.32Å; F52-K56 WeakPolarHBondContact O-CB 3.35Å; F52-K56 PolarHBondContact O-N 2.96Å; F52-I67 HydrophobicContact CE2-CD1 4.13Å; F52-I67 HydrophobicContact CZ-CD1 4.3Å; F52-W68 AromaticContact CE1-CZ2 3.76Å; F52-W68 HydrophobicContact CE1-CZ2 3.76Å; F52-W68 AromaticContact CE2-CH2 3.92Å; F52-W68 HydrophobicContact CE2-CH2 3.92Å; F52-W68 AromaticContact CE2-CZ2 3.62Å; F52-W68 HydrophobicContact CE2-CZ2 3.62Å; F52-W68 AromaticContact CZ-CE2 3.52Å; F52-W68 AromaticContact CZ-CH2 3.93Å; F52-W68 HydrophobicContact CZ-CH2 3.93Å; F52-W68 AromaticContact CZ-CZ2 3.15Å; F52-W68 HydrophobicContact CZ-CZ2 3.15Å; F52-W68 AromaticContact CZ-NE1 3.78Å; F52-V87 HydrophobicContact CB-CG1 3.79Å; F52-V87 HydrophobicContact CD1-CG1 3.78Å; F52-V87 HydrophobicContact CD2-CG1 3.77Å; F52-V87 HydrophobicContact CD2-CG2 4.42Å; F52-V87 HydrophobicContact CE1-CG1 4.3Å; F52-V87 HydrophobicContact CE2-CG1 4.31Å; F52-V87 HydrophobicContact CG-CG1 3.47Å; F52-V87 VanDerWaalsContact CG-CG1 3.47Å
53D96.8Very high96.6Very high57 Ų5747.6 Ų47.631%0.30524%0.236SC..Hα-helixtrans-72.2-32.8-179.3-68.2-40.1000111.3D50 E51 N57 K91D50-D53 WeakPolarHBondContact O-CA 3.25Å; D50-D53 PolarHBondContact O-N 3.39Å; E51-D53 VanDerWaalsContact C-N 3.31Å; E51-D53 PolarHBondContact O-N 3.3Å; D53-N57 VanDerWaalsContact O-CG 3.3Å; D53-N57 PolarHBondContact O-N 3.15Å; D53-N57 PolarHBondContact O-ND2 3.14Å; D53-N57 VanDerWaalsContact O-ND2 3.1Å; D53-K91 IonicContact OD1-NZ 3.82Å; D53-K91 PolarHBondContact OD1-NZ 3.1Å; D53-K91 IonicContact OD2-NZ 3.99Å; D53-K91 PolarHBondContact OD2-NZ 3.29Å
54Q97.3Very high96.5Very high85 Ų8555.9 Ų55.940%0.39728%0.28SS..Hα-helixtrans-61.8-53.5169.9-63.4174.619.600110.6D50 E51 K56 N57 V58D50-Q54 WeakPolarHBondContact O-CG 3.37Å; D50-Q54 PolarHBondContact O-N 3.27Å; D50-Q54 PolarHBondContact OD2-NE2 2.94Å; E51-Q54 WeakPolarHBondContact O-CB 3.33Å; E51-Q54 PolarHBondContact O-N 3.41Å; Q54-K56 VanDerWaalsContact C-N 3.33Å; Q54-K56 PolarHBondContact O-N 2.83Å; Q54-N57 PolarHBondContact O-N 2.97Å; Q54-N57 VanDerWaalsContact O-N 3.11Å; Q54-V58 PolarHBondContact O-N 2.94Å
55V97.9Very high96.4Very high3 Ų358.9 Ų58.92%0.01829%0.294CS..Hα-helixtrans-59.9-42.8177.7172.90000111.4F24 A25 L28 F47 E51 F52 N57 V58 Y59F24-V55 HydrophobicContact CB-CG1 4.11Å; F24-V55 HydrophobicContact CB-CG2 3.55Å; F24-V55 HydrophobicContact CD2-CG2 4.38Å; F24-V55 HydrophobicContact CG-CG2 4.21Å; A25-V55 HydrophobicContact CB-CG1 4.14Å; L28-V55 HydrophobicContact CD2-CG1 4.35Å; F47-V55 HydrophobicContact CE1-CG2 3.76Å; F47-V55 HydrophobicContact CZ-CB 4.17Å; F47-V55 HydrophobicContact CZ-CG1 4.08Å; F47-V55 HydrophobicContact CZ-CG2 3.76Å; E51-V55 WeakPolarHBondContact O-CG2 3.34Å; E51-V55 PolarHBondContact O-N 3.41Å; F52-V55 PolarHBondContact O-N 3.12Å; V55-N57 VanDerWaalsContact C-N 3.27Å; V55-N57 PolarHBondContact O-N 2.9Å; V55-V58 PolarHBondContact O-N 3.22Å; V55-Y59 WeakPolarHBondContact O-CB 3.19Å; V55-Y59 PolarHBondContact O-N 3.37Å
56K97.6Very high96.3Very high83 Ų8361.8 Ų61.836%0.36132%0.315SS..Hα-helixtrans-60.5-35.1176.9178.2-178.1175.1-174.40112.7F52 Q54 I67F52-K56 HydrophobicContact CE1-CB 4.31Å; F52-K56 HydrophobicContact CE1-CD 3.83Å; F52-K56 HydrophobicContact CZ-CB 4.47Å; F52-K56 HydrophobicContact CZ-CD 4.32Å; F52-K56 WeakPolarHBondContact O-CB 3.35Å; F52-K56 PolarHBondContact O-N 2.96Å; Q54-K56 VanDerWaalsContact C-N 3.33Å; Q54-K56 PolarHBondContact O-N 2.83Å; K56-I67 HydrophobicContact CB-CD1 4.05Å; K56-I67 HydrophobicContact CG-CD1 4.33Å
57N97.3Very high96.4Very high97 Ų9760.8 Ų60.852%0.51931%0.31SS..Hα-helixtrans-70.1-39.4176.5-77.6-35.2000111.9D53 Q54 V55 K60D53-N57 VanDerWaalsContact O-CG 3.3Å; D53-N57 PolarHBondContact O-N 3.15Å; D53-N57 PolarHBondContact O-ND2 3.14Å; D53-N57 VanDerWaalsContact O-ND2 3.1Å; Q54-N57 PolarHBondContact O-N 2.97Å; Q54-N57 VanDerWaalsContact O-N 3.11Å; V55-N57 VanDerWaalsContact C-N 3.27Å; V55-N57 PolarHBondContact O-N 2.9Å; N57-K60 PolarHBondContact OD1-NZ 3.47Å
58V97.8Very high96.6Very high25 Ų2561.7 Ų61.715%0.15231%0.313CS..Hα-helixtrans-73.9-34.3176.8-176.20000112.3I22 A25 Q54 V55 K60 L61 Y62I22-V58 HydrophobicContact CB-CG1 4.25Å; I22-V58 HydrophobicContact CG1-CG1 3.93Å; I22-V58 HydrophobicContact CG1-CG2 4.48Å; I22-V58 HydrophobicContact CG2-CG1 4.44Å; A25-V58 HydrophobicContact CB-CB 3.9Å; A25-V58 HydrophobicContact CB-CG1 3.81Å; Q54-V58 PolarHBondContact O-N 2.94Å; V55-V58 PolarHBondContact O-N 3.22Å; V58-K60 PolarHBondContact O-N 3.17Å; V58-L61 HydrophobicContact CG1-CD1 4.06Å; V58-L61 VanDerWaalsContact O-CB 3.31Å; V58-L61 WeakPolarHBondContact O-CB 3.22Å; V58-L61 WeakPolarHBondContact O-CG 3.08Å; V58-L61 PolarHBondContact O-N 3.04Å; V58-Y62 HydrophobicContact CG1-CE2 4.32Å
59Y98.1Very high96.8Very high5 Ų563 Ų632%0.0232%0.32CS..Hα-helixtrans-53.8-27.5179.5-171.5-90.7000113.6L28 Y29 I32 V55 L61 Y62 S63 I67L28-Y59 HydrophobicContact CB-CE2 4.45Å; L28-Y59 HydrophobicContact CD2-CD2 4.41Å; L28-Y59 HydrophobicContact CD2-CE2 4.48Å; L28-Y59 HydrophobicContact CG-CE2 4.23Å; Y29-Y59 HydrophobicContact CD2-CE2 4.42Å; I32-Y59 HydrophobicContact CD1-CE2 4.45Å; V55-Y59 WeakPolarHBondContact O-CB 3.19Å; V55-Y59 PolarHBondContact O-N 3.37Å; Y59-L61 PolarHBondContact O-N 2.63Å; Y59-L61 VanDerWaalsContact O-N 3.11Å; Y59-Y62 PolarHBondContact O-N 3Å; Y59-S63 PolarHBondContact O-N 3.29Å; Y59-S63 VanDerWaalsContact O-N 3.13Å; Y59-I67 HydrophobicContact CD1-CD1 4.19Å; Y59-I67 HydrophobicContact CD1-CG1 3.38Å; Y59-I67 HydrophobicContact CD2-CD1 4.05Å; Y59-I67 HydrophobicContact CD2-CG1 3.72Å; Y59-I67 HydrophobicContact CE1-CB 4.44Å; Y59-I67 HydrophobicContact CE1-CG1 3.59Å; Y59-I67 HydrophobicContact CE2-CG1 3.91Å; Y59-I67 HydrophobicContact CG-CD1 3.8Å; Y59-I67 HydrophobicContact CG-CG1 3.44Å; Y59-I67 VanDerWaalsContact CG-CG1 3.44Å
60K97.3Very high97.1Very high127 Ų12762.5 Ų62.555%0.55231%0.313SS*.THydrogen-bonded Turntrans-59.1-19.4174.8-62.8170.4-175.7162.70113.7N57 V58 Y62 S63N57-K60 PolarHBondContact OD1-NZ 3.47Å; V58-K60 PolarHBondContact O-N 3.17Å; K60-Y62 VanDerWaalsContact C-N 3.32Å; K60-S63 WeakPolarHBondContact CA-O 3.3Å
61L96.6Very high97.3Very high137 Ų13757.9 Ų57.972%0.71729%0.289SS*.THydrogen-bonded Turntrans-73.7-24.3174-60.9179.7000112.7V58 Y59V58-L61 HydrophobicContact CG1-CD1 4.06Å; V58-L61 VanDerWaalsContact O-CB 3.31Å; V58-L61 WeakPolarHBondContact O-CB 3.22Å; V58-L61 WeakPolarHBondContact O-CG 3.08Å; V58-L61 PolarHBondContact O-N 3.04Å; Y59-L61 PolarHBondContact O-N 2.63Å; Y59-L61 VanDerWaalsContact O-N 3.11Å
62Y96.6Very high97.4Very high67 Ų6758 Ų5826%0.26329%0.289SS..THydrogen-bonded Turntrans-105.2-25.6-175.2-56-78.4000112.9I22 A25 E26 Y29 V58 Y59 K60I22-Y62 WeakPolarHBondContact CG2-OH 3.44Å; A25-Y62 HydrophobicContact CB-CD2 4.12Å; A25-Y62 HydrophobicContact CB-CE2 3.84Å; E26-Y62 HydrophobicContact CB-CE1 3.94Å; E26-Y62 HydrophobicContact CB-CE2 4.13Å; E26-Y62 HydrophobicContact CG-CD1 4.31Å; E26-Y62 HydrophobicContact CG-CE1 3.68Å; Y29-Y62 VanDerWaalsContact CE2-O 3.25Å; Y29-Y62 WeakPolarHBondContact CE2-O 3.37Å; Y29-Y62 HydrophobicContact CG-CG 4.48Å; V58-Y62 HydrophobicContact CG1-CE2 4.32Å; Y59-Y62 PolarHBondContact O-N 3Å; K60-Y62 VanDerWaalsContact C-N 3.32Å
63S96.5Very high97.5Very high21 Ų2163.3 Ų63.315%0.14731%0.314CS..  trans-145.1141.9178.3-1730000111.9Y59 K60 E65Y59-S63 PolarHBondContact O-N 3.29Å; Y59-S63 VanDerWaalsContact O-N 3.13Å; K60-S63 WeakPolarHBondContact CA-O 3.3Å; S63-E65 VanDerWaalsContact C-N 3.26Å; S63-E65 PolarHBondContact OG-N 3.33Å; S63-E65 VanDerWaalsContact OG-N 3.1Å
64N95.4Very high97.5Very high176 Ų17666.7 Ų66.794%0.94132%0.322SS*.SBendtrans-77.9-14.9169.2-69-35.4000112.4
65E95.9Very high97.6Very high64 Ų6463.5 Ų63.530%0.29931%0.308SS..SBendtrans-86.8154.4177.8-58.8-167.1141.900111.6S63 K69 S70S63-E65 VanDerWaalsContact C-N 3.26Å; S63-E65 PolarHBondContact OG-N 3.33Å; S63-E65 VanDerWaalsContact OG-N 3.1Å; E65-K69 IonicContact OE1-NZ 2.82Å; E65-K69 PolarHBondContact OE1-NZ 3.43Å; E65-S70 PolarHBondContact OE2-OG 3.28Å; E65-S70 VanDerWaalsContact OE2-OG 3.13Å
66S96.8Very high97.6Very high61 Ų6164.7 Ų64.743%0.42732%0.32SS..  trans-66.9146.4169.770.50000110.2W68 K69 S70S66-W68 PolarHBondContact O-N 3.21Å; S66-K69 PolarHBondContact O-N 3.32Å; S66-K69 VanDerWaalsContact O-N 3.09Å; S66-K69 VanDerWaalsContact OG-CB 3.27Å; S66-K69 WeakPolarHBondContact OG-CB 3.27Å; S66-K69 PolarHBondContact OG-N 3.02Å; S66-K69 VanDerWaalsContact OG-N 3.09Å; S66-S70 PolarHBondContact O-N 3.21Å; S66-S70 PolarHBondContact O-OG 3.46Å
67I98.5Very high97.6Very high4 Ų464.8 Ų64.82%0.02132%0.321CS..Hα-helixtrans-47.3-47.8172.8-68.3169.1000110.4L28 I32 F52 K56 Y59 S70 I71L28-I67 HydrophobicContact CD2-CD1 3.86Å; L28-I67 HydrophobicContact CD2-CG1 4.26Å; L28-I67 HydrophobicContact CD2-CG2 3.95Å; I32-I67 HydrophobicContact CD1-CG2 4.23Å; F52-I67 HydrophobicContact CE2-CD1 4.13Å; F52-I67 HydrophobicContact CZ-CD1 4.3Å; K56-I67 HydrophobicContact CB-CD1 4.05Å; K56-I67 HydrophobicContact CG-CD1 4.33Å; Y59-I67 HydrophobicContact CD1-CD1 4.19Å; Y59-I67 HydrophobicContact CD1-CG1 3.38Å; Y59-I67 HydrophobicContact CD2-CD1 4.05Å; Y59-I67 HydrophobicContact CD2-CG1 3.72Å; Y59-I67 HydrophobicContact CE1-CB 4.44Å; Y59-I67 HydrophobicContact CE1-CG1 3.59Å; Y59-I67 HydrophobicContact CE2-CG1 3.91Å; Y59-I67 HydrophobicContact CG-CD1 3.8Å; Y59-I67 HydrophobicContact CG-CG1 3.44Å; Y59-I67 VanDerWaalsContact CG-CG1 3.44Å; I67-S70 PolarHBondContact O-N 3.19Å; I67-I71 HydrophobicContact CG2-CD1 3.66Å; I67-I71 HydrophobicContact CG2-CG1 4.39Å; I67-I71 VanDerWaalsContact O-CG1 3.3Å; I67-I71 WeakPolarHBondContact O-CG1 3.3Å; I67-I71 PolarHBondContact O-N 3.14Å
68W98.4Very high97.7Very high23 Ų2364.4 Ų64.49%0.08732%0.324CS..Hα-helixtrans-61.7-45.7-179.3-58.5134.8000112.9L44 F52 S66 S70 I71 E72 E80 L83 Q84 V87L44-W68 HydrophobicContact CD1-CZ3 4.43Å; L44-W68 HydrophobicContact CD2-CH2 4.37Å; F52-W68 AromaticContact CE1-CZ2 3.76Å; F52-W68 HydrophobicContact CE1-CZ2 3.76Å; F52-W68 AromaticContact CE2-CH2 3.92Å; F52-W68 HydrophobicContact CE2-CH2 3.92Å; F52-W68 AromaticContact CE2-CZ2 3.62Å; F52-W68 HydrophobicContact CE2-CZ2 3.62Å; F52-W68 AromaticContact CZ-CE2 3.52Å; F52-W68 AromaticContact CZ-CH2 3.93Å; F52-W68 HydrophobicContact CZ-CH2 3.93Å; F52-W68 AromaticContact CZ-CZ2 3.15Å; F52-W68 HydrophobicContact CZ-CZ2 3.15Å; F52-W68 AromaticContact CZ-NE1 3.78Å; S66-W68 PolarHBondContact O-N 3.21Å; W68-S70 VanDerWaalsContact C-N 3.33Å; W68-S70 PolarHBondContact O-N 2.84Å; W68-I71 HydrophobicContact CE3-CD1 3.79Å; W68-I71 HydrophobicContact CZ3-CD1 3.86Å; W68-I71 PolarHBondContact O-N 2.87Å; W68-I71 VanDerWaalsContact O-N 3.14Å; W68-E72 PolarHBondContact O-N 3.14Å; W68-E80 HydrophobicContact CB-CG 4.17Å; W68-E80 WeakPolarHBondContact CB-OE1 3.43Å; W68-E80 HydrophobicContact CE3-CG 4.37Å; W68-E80 WeakPolarHBondContact O-CG 3.29Å; W68-L83 HydrophobicContact CZ3-CB 4.28Å; W68-Q84 HydrophobicContact CD2-CB 4.18Å; W68-Q84 HydrophobicContact CD2-CG 4.18Å; W68-Q84 HydrophobicContact CE3-CB 3.99Å; W68-Q84 HydrophobicContact CE3-CG 4.49Å; W68-Q84 VanDerWaalsContact CH2-CA 3.47Å; W68-Q84 HydrophobicContact CH2-CB 3.98Å; W68-Q84 HydrophobicContact CH2-CG 4.28Å; W68-Q84 HydrophobicContact CZ2-CB 4.09Å; W68-Q84 HydrophobicContact CZ2-CG 3.87Å; W68-Q84 HydrophobicContact CZ3-CB 3.91Å; W68-V87 HydrophobicContact CH2-CB 4.03Å; W68-V87 HydrophobicContact CH2-CG1 4.42Å; W68-V87 HydrophobicContact CH2-CG2 3.89Å; W68-V87 HydrophobicContact CZ2-CB 4.3Å; W68-V87 HydrophobicContact CZ2-CG1 4.29Å
69K98.2Very high97.7Very high87 Ų8763.4 Ų63.438%0.37832%0.318SS..Hα-helixtrans-59.7-44.8175.7-174.9172.3-175.6-84.30111.4E65 S66 I71 E72 E73E65-K69 IonicContact OE1-NZ 2.82Å; E65-K69 PolarHBondContact OE1-NZ 3.43Å; S66-K69 PolarHBondContact O-N 3.32Å; S66-K69 VanDerWaalsContact O-N 3.09Å; S66-K69 VanDerWaalsContact OG-CB 3.27Å; S66-K69 WeakPolarHBondContact OG-CB 3.27Å; S66-K69 PolarHBondContact OG-N 3.02Å; S66-K69 VanDerWaalsContact OG-N 3.09Å; K69-I71 VanDerWaalsContact C-N 3.31Å; K69-I71 PolarHBondContact O-N 3.44Å; K69-E72 PolarHBondContact O-N 3.41Å; K69-E73 WeakPolarHBondContact CE-OE1 3.34Å; K69-E73 IonicContact NZ-OE1 3.04Å; K69-E73 PolarHBondContact NZ-OE1 3.03Å; K69-E73 WeakPolarHBondContact O-CG 3.23Å; K69-E73 PolarHBondContact O-N 2.97Å
70S98.4Very high97.7Very high10 Ų1063.6 Ų63.67%0.0732%0.319CS..Hα-helixtrans-65.2-33.6178-56.50000112.5I32 E65 S66 I67 W68 R74I32-S70 WeakPolarHBondContact CG2-O 3.42Å; E65-S70 PolarHBondContact OE2-OG 3.28Å; E65-S70 VanDerWaalsContact OE2-OG 3.13Å; S66-S70 PolarHBondContact O-N 3.21Å; S66-S70 PolarHBondContact O-OG 3.46Å; I67-S70 PolarHBondContact O-N 3.19Å; W68-S70 VanDerWaalsContact C-N 3.33Å; W68-S70 PolarHBondContact O-N 2.84Å; S70-R74 VanDerWaalsContact O-CB 3.3Å; S70-R74 WeakPolarHBondContact O-CB 3.28Å; S70-R74 WeakPolarHBondContact O-CG 3.45Å; S70-R74 PolarHBondContact O-N 3.18Å
71I98.7Very high97.8Very high0 Ų061.1 Ų61.10%031%0.311CS..Hα-helixtrans-68.5-45.6173.8-68.8168.4000110.7I32 T40 L44 I67 W68 K69 E73 R74 F75 T79 E80 L83I32-I71 HydrophobicContact CD1-CD1 4.2Å; I32-I71 HydrophobicContact CD1-CG1 3.68Å; I32-I71 HydrophobicContact CG1-CG1 3.99Å; T40-I71 HydrophobicContact CG2-CD1 4.33Å; T40-I71 HydrophobicContact CG2-CG1 4.32Å; L44-I71 HydrophobicContact CD1-CD1 3.61Å; I67-I71 HydrophobicContact CG2-CD1 3.66Å; I67-I71 HydrophobicContact CG2-CG1 4.39Å; I67-I71 VanDerWaalsContact O-CG1 3.3Å; I67-I71 WeakPolarHBondContact O-CG1 3.3Å; I67-I71 PolarHBondContact O-N 3.14Å; W68-I71 HydrophobicContact CE3-CD1 3.79Å; W68-I71 HydrophobicContact CZ3-CD1 3.86Å; W68-I71 PolarHBondContact O-N 2.87Å; W68-I71 VanDerWaalsContact O-N 3.14Å; K69-I71 VanDerWaalsContact C-N 3.31Å; K69-I71 PolarHBondContact O-N 3.44Å; I71-E73 PolarHBondContact O-N 3.08Å; I71-R74 PolarHBondContact O-N 3.1Å; I71-F75 HydrophobicContact CB-CD2 4.44Å; I71-F75 HydrophobicContact CG2-CD2 3.97Å; I71-F75 WeakPolarHBondContact O-CB 3.49Å; I71-F75 PolarHBondContact O-N 3.1Å; I71-T79 HydrophobicContact CG2-CG2 4.41Å; I71-E80 HydrophobicContact CB-CB 4.4Å; I71-E80 HydrophobicContact CB-CG 4.41Å; I71-E80 HydrophobicContact CG2-CB 3.83Å; I71-E80 HydrophobicContact CG2-CG 4.28Å; I71-L83 HydrophobicContact CG2-CD1 4.21Å
72E98.6Very high97.9Very high83 Ų8354.9 Ų54.939%0.38828%0.278SS..Hα-helixtrans-58.8-46.5177.5178177.9176.200111.3W68 K69 R74 G76 K77 E80W68-E72 PolarHBondContact O-N 3.14Å; K69-E72 PolarHBondContact O-N 3.41Å; E72-R74 VanDerWaalsContact C-N 3.27Å; E72-R74 PolarHBondContact O-N 3.34Å; E72-G76 WeakPolarHBondContact O-CA 3.45Å; E72-G76 PolarHBondContact O-N 3.48Å; E72-K77 HydrophobicContact CG-CB 4.25Å; E72-K77 HydrophobicContact CG-CD 4.28Å; E72-E80 HydrophobicContact CB-CB 3.96Å; E72-E80 HydrophobicContact CB-CG 4.04Å
73E98.1Very high98Very high115 Ų11551.7 Ų51.754%0.53727%0.266SS..Hα-helixtrans-66.1-29.7-179.9-72.2-177.317700112.9K69 I71K69-E73 WeakPolarHBondContact CE-OE1 3.34Å; K69-E73 IonicContact NZ-OE1 3.04Å; K69-E73 PolarHBondContact NZ-OE1 3.03Å; K69-E73 WeakPolarHBondContact O-CG 3.23Å; K69-E73 PolarHBondContact O-N 2.97Å; I71-E73 PolarHBondContact O-N 3.08Å
74R98.1Very high98.1Very high127 Ų12753.6 Ų53.648%0.47927%0.273SS..Hα-helixtrans-92.1-34.4-176.1-66.4-71.4175.7163.52.1113.9I32 S33 S70 I71 E72I32-R74 HydrophobicContact CG2-CB 4.29Å; I32-R74 HydrophobicContact CG2-CG 3.77Å; I32-R74 WeakPolarHBondContact O-CG 3.43Å; S33-R74 PolarHBondContact O-NH1 3.15Å; S33-R74 VanDerWaalsContact O-NH1 3.15Å; S70-R74 VanDerWaalsContact O-CB 3.3Å; S70-R74 WeakPolarHBondContact O-CB 3.28Å; S70-R74 WeakPolarHBondContact O-CG 3.45Å; S70-R74 PolarHBondContact O-N 3.18Å; I71-R74 PolarHBondContact O-N 3.1Å; E72-R74 VanDerWaalsContact C-N 3.27Å; E72-R74 PolarHBondContact O-N 3.34Å
75F98.4Very high98.2Very high19 Ų1946.5 Ų46.58%0.08324%0.237CC..Hα-helixtrans-125-7.1-171.3-52.5-66.5000113.4I32 I37 T40 I71 T79 Q172I32-F75 HydrophobicContact CG1-CE2 4.43Å; I37-F75 HydrophobicContact CB-CD1 3.95Å; I37-F75 HydrophobicContact CB-CE1 3.62Å; I37-F75 HydrophobicContact CB-CZ 4.14Å; I37-F75 HydrophobicContact CD1-CD1 4.08Å; I37-F75 HydrophobicContact CD1-CG 4.34Å; I37-F75 HydrophobicContact CG1-CD1 4.16Å; I37-F75 HydrophobicContact CG1-CE1 4.21Å; T40-F75 HydrophobicContact CG2-CE2 4.11Å; I71-F75 HydrophobicContact CB-CD2 4.44Å; I71-F75 HydrophobicContact CG2-CD2 3.97Å; I71-F75 WeakPolarHBondContact O-CB 3.49Å; I71-F75 PolarHBondContact O-N 3.1Å; F75-T79 HydrophobicContact CB-CG2 3.57Å; F75-T79 HydrophobicContact CG-CG2 4.31Å; F75-Q172 PolarHBondContact O-OE1 2.96Å
76G98.3Very high98.3Very high28 Ų2843.6 Ų43.629%0.28922%0.223SC..  trans88.9156.8179.900000113.5E72 P78 T79 E80E72-G76 WeakPolarHBondContact O-CA 3.45Å; E72-G76 PolarHBondContact O-N 3.48Å; G76-P78 VanDerWaalsContact C-CD 3.5Å; G76-T79 PolarHBondContact O-N 2.93Å; G76-T79 VanDerWaalsContact O-N 3.15Å; G76-E80 PolarHBondContact O-N 3.37Å
77K98.2Very high98.4Very high85 Ų8540.9 Ų40.937%0.3720%0.204SC..Hα-helixtrans-54.5-42.7-176.7-174.558.1177.4162.70114.7E72 T79 E80 D81E72-K77 HydrophobicContact CG-CB 4.25Å; E72-K77 HydrophobicContact CG-CD 4.28Å; K77-T79 VanDerWaalsContact C-N 3.25Å; K77-T79 PolarHBondContact O-N 3.23Å; K77-E80 WeakPolarHBondContact CD-OE2 3.34Å; K77-E80 WeakPolarHBondContact CE-OE2 3.39Å; K77-E80 IonicContact NZ-OE1 2.82Å; K77-E80 IonicContact NZ-OE2 3.28Å; K77-E80 PolarHBondContact NZ-OE2 3.42Å; K77-E80 PolarHBondContact O-N 3Å; K77-D81 WeakPolarHBondContact CE-OD1 3.38Å; K77-D81 WeakPolarHBondContact CE-OD2 3.24Å; K77-D81 IonicContact NZ-OD1 3.65Å; K77-D81 PolarHBondContact NZ-OD1 3.27Å; K77-D81 WeakPolarHBondContact O-CB 3.39Å; K77-D81 PolarHBondContact O-N 2.94Å
78P98.1Very high98.3Very high89 Ų8944.6 Ų44.658%0.57822%0.221SC*.Hα-helixtrans-59.5-34.6178.6-2636000114.1G76 F82 M173G76-P78 VanDerWaalsContact C-CD 3.5Å; P78-F82 WeakPolarHBondContact O-CB 3.39Å; P78-F82 PolarHBondContact O-N 3.05Å; P78-M173 HydrophobicContact CB-CE 4.3Å; P78-M173 WeakPolarHBondContact O-CE 3.35Å
79T98.5Very high98.1Very high4 Ų445.1 Ų45.13%0.02523%0.227CC..Hα-helixtrans-76-41.4179.1-70.70000111.5I37 I71 F75 G76 K77 F82 L83 Q172 L176I37-T79 HydrophobicContact CD1-CG2 3.97Å; I71-T79 HydrophobicContact CG2-CG2 4.41Å; F75-T79 HydrophobicContact CB-CG2 3.57Å; F75-T79 HydrophobicContact CG-CG2 4.31Å; G76-T79 PolarHBondContact O-N 2.93Å; G76-T79 VanDerWaalsContact O-N 3.15Å; K77-T79 VanDerWaalsContact C-N 3.25Å; K77-T79 PolarHBondContact O-N 3.23Å; T79-F82 PolarHBondContact O-N 3.27Å; T79-L83 HydrophobicContact CG2-CD1 3.88Å; T79-L83 HydrophobicContact CG2-CG 4.49Å; T79-L83 WeakPolarHBondContact O-CB 3.48Å; T79-L83 WeakPolarHBondContact O-CG 3.43Å; T79-L83 PolarHBondContact O-N 3.13Å; T79-Q172 PolarHBondContact OG1-OE1 3.22Å; T79-L176 HydrophobicContact CG2-CD1 3.74Å
80E98.6Very high97.9Very high9 Ų941.1 Ų41.14%0.04221%0.209CC..Hα-helixtrans-60.9-49173.8-179.2-87.8172.500111.5W68 I71 E72 G76 K77 F82 L83 Q84W68-E80 HydrophobicContact CB-CG 4.17Å; W68-E80 WeakPolarHBondContact CB-OE1 3.43Å; W68-E80 HydrophobicContact CE3-CG 4.37Å; W68-E80 WeakPolarHBondContact O-CG 3.29Å; I71-E80 HydrophobicContact CB-CB 4.4Å; I71-E80 HydrophobicContact CB-CG 4.41Å; I71-E80 HydrophobicContact CG2-CB 3.83Å; I71-E80 HydrophobicContact CG2-CG 4.28Å; E72-E80 HydrophobicContact CB-CB 3.96Å; E72-E80 HydrophobicContact CB-CG 4.04Å; G76-E80 PolarHBondContact O-N 3.37Å; K77-E80 WeakPolarHBondContact CD-OE2 3.34Å; K77-E80 WeakPolarHBondContact CE-OE2 3.39Å; K77-E80 IonicContact NZ-OE1 2.82Å; K77-E80 IonicContact NZ-OE2 3.28Å; K77-E80 PolarHBondContact NZ-OE2 3.42Å; K77-E80 PolarHBondContact O-N 3Å; E80-F82 VanDerWaalsContact C-N 3.28Å; E80-F82 PolarHBondContact O-N 2.92Å; E80-L83 PolarHBondContact O-N 2.74Å; E80-Q84 VanDerWaalsContact O-CB 3.28Å; E80-Q84 WeakPolarHBondContact O-CB 3.21Å; E80-Q84 PolarHBondContact O-N 3.41Å; E80-Q84 PolarHBondContact OE1-OE1 3.32Å
81D98.6Very high97.6Very high75 Ų7543 Ų4340%0.40122%0.217SC..Hα-helixtrans-57.9-41.9178.1-76.2-31.3000111.3K77 C85K77-D81 WeakPolarHBondContact CE-OD1 3.38Å; K77-D81 WeakPolarHBondContact CE-OD2 3.24Å; K77-D81 IonicContact NZ-OD1 3.65Å; K77-D81 PolarHBondContact NZ-OD1 3.27Å; K77-D81 WeakPolarHBondContact O-CB 3.39Å; K77-D81 PolarHBondContact O-N 2.94Å; D81-C85 VanDerWaalsContact O-CB 3.24Å; D81-C85 WeakPolarHBondContact O-CB 3.15Å; D81-C85 PolarHBondContact O-N 3.07Å
82F98.8Very high96.9Very high5 Ų548 Ų482%0.02225%0.247CC..Hα-helixtrans-66.1-51.7179.3178.2-98.2000112.2P78 T79 E80 Q84 C85 V86 C139 M173 L176 L177 L180P78-F82 WeakPolarHBondContact O-CB 3.39Å; P78-F82 PolarHBondContact O-N 3.05Å; T79-F82 PolarHBondContact O-N 3.27Å; E80-F82 VanDerWaalsContact C-N 3.28Å; E80-F82 PolarHBondContact O-N 2.92Å; F82-Q84 VanDerWaalsContact C-N 3.34Å; F82-Q84 PolarHBondContact O-N 3.05Å; F82-C85 WeakPolarHBondContact O-CB 3.33Å; F82-C85 PolarHBondContact O-N 3.34Å; F82-V86 HydrophobicContact CD1-CG2 4.43Å; F82-V86 HydrophobicContact CE1-CG2 4.02Å; F82-V86 HydrophobicContact CE2-CG2 4.48Å; F82-V86 HydrophobicContact CZ-CG2 4.07Å; F82-V86 WeakPolarHBondContact O-CG2 3.42Å; F82-V86 PolarHBondContact O-N 2.7Å; F82-C139 HydrophobicContact CD2-CB 3.66Å; F82-C139 HydrophobicContact CE2-CB 3.69Å; F82-M173 HydrophobicContact CB-CE 3.99Å; F82-M173 HydrophobicContact CB-SD 4.34Å; F82-M173 HydrophobicContact CD2-SD 4.1Å; F82-M173 HydrophobicContact CG-CE 4.36Å; F82-M173 HydrophobicContact CG-SD 4.05Å; F82-L176 HydrophobicContact CD1-CB 4.01Å; F82-L176 HydrophobicContact CD1-CD1 3.99Å; F82-L176 HydrophobicContact CD1-CG 4.5Å; F82-L176 HydrophobicContact CE1-CB 3.76Å; F82-L177 HydrophobicContact CE2-CD2 3.64Å; F82-L177 HydrophobicContact CZ-CD2 3.84Å; F82-L180 HydrophobicContact CE2-CD2 4.41Å; F82-L180 HydrophobicContact CZ-CB 4.42Å; F82-L180 HydrophobicContact CZ-CD2 3.74Å
83L98.7Very high95.9Very high0 Ų053.2 Ų53.20%027%0.268CS..Hα-helixtrans-66.1-37.8-178.3-71172.1000111.6T40 T41 L44 I45 W68 I71 T79 E80 V86 V87 L176T40-L83 HydrophobicContact CG2-CD1 4.44Å; T41-L83 HydrophobicContact CG2-CD2 4.18Å; L44-L83 HydrophobicContact CD1-CB 4.23Å; L44-L83 HydrophobicContact CD1-CD1 3.98Å; L44-L83 HydrophobicContact CD1-CG 4.49Å; I45-L83 HydrophobicContact CG2-CD2 4.5Å; W68-L83 HydrophobicContact CZ3-CB 4.28Å; I71-L83 HydrophobicContact CG2-CD1 4.21Å; T79-L83 HydrophobicContact CG2-CD1 3.88Å; T79-L83 HydrophobicContact CG2-CG 4.49Å; T79-L83 WeakPolarHBondContact O-CB 3.48Å; T79-L83 WeakPolarHBondContact O-CG 3.43Å; T79-L83 PolarHBondContact O-N 3.13Å; E80-L83 PolarHBondContact O-N 2.74Å; L83-V86 PolarHBondContact O-N 3.03Å; L83-V87 WeakPolarHBondContact O-CG2 3.14Å; L83-V87 PolarHBondContact O-N 2.76Å; L83-L176 HydrophobicContact CD2-CD2 4.23Å
84Q98.5Very high94.9Very high62 Ų6250 Ų5029%0.2925%0.254SS..Hα-helixtrans-61.8-46.5173.2-172.7-179.813.800111.1W68 E80 F82 V86 V87 E88W68-Q84 HydrophobicContact CD2-CB 4.18Å; W68-Q84 HydrophobicContact CD2-CG 4.18Å; W68-Q84 HydrophobicContact CE3-CB 3.99Å; W68-Q84 HydrophobicContact CE3-CG 4.49Å; W68-Q84 VanDerWaalsContact CH2-CA 3.47Å; W68-Q84 HydrophobicContact CH2-CB 3.98Å; W68-Q84 HydrophobicContact CH2-CG 4.28Å; W68-Q84 HydrophobicContact CZ2-CB 4.09Å; W68-Q84 HydrophobicContact CZ2-CG 3.87Å; W68-Q84 HydrophobicContact CZ3-CB 3.91Å; E80-Q84 VanDerWaalsContact O-CB 3.28Å; E80-Q84 WeakPolarHBondContact O-CB 3.21Å; E80-Q84 PolarHBondContact O-N 3.41Å; E80-Q84 PolarHBondContact OE1-OE1 3.32Å; F82-Q84 VanDerWaalsContact C-N 3.34Å; F82-Q84 PolarHBondContact O-N 3.05Å; Q84-V86 VanDerWaalsContact C-N 3.29Å; Q84-V86 PolarHBondContact O-N 2.99Å; Q84-V87 PolarHBondContact O-N 3.49Å; Q84-E88 HydrophobicContact CG-CG 4.23Å; Q84-E88 WeakPolarHBondContact O-CB 3.41Å; Q84-E88 WeakPolarHBondContact O-CG 3.4Å; Q84-E88 PolarHBondContact O-N 3.4Å
85C98.4Very high93.9Very high27 Ų2751.8 Ų51.818%0.18227%0.265CS..Hα-helixtrans-57.1-41.8176.2176.60000112.3D81 F82 T89 C139D81-C85 VanDerWaalsContact O-CB 3.24Å; D81-C85 WeakPolarHBondContact O-CB 3.15Å; D81-C85 PolarHBondContact O-N 3.07Å; F82-C85 WeakPolarHBondContact O-CB 3.33Å; F82-C85 PolarHBondContact O-N 3.34Å; C85-T89 WeakPolarHBondContact O-CB 3.41Å; C85-T89 PolarHBondContact O-N 2.7Å; C85-T89 PolarHBondContact O-OG1 3.42Å; C85-C139 CarbonylContact C-O 3.55Å; C85-C139 HydrophobicContact CB-CB 3.55Å; C85-C139 WeakPolarHBondContact CB-SG 3.5Å; C85-C139 WeakPolarHBondContact SG-CB 3.15Å; C85-C139 PolarHBondContact SG-O 3.47Å; C85-C139 VanDerWaalsContact SG-O 3.36Å; C85-C139 CovalentContact SG-SG 2.04Å; C85-C139 PolarHBondContact SG-SG 2.85Å
86V98.3Very high92.7Very high3 Ų356.7 Ų56.72%0.01829%0.288CS..Hα-helixtrans-63.6-48.2177.2173.40000111.6I45 F82 L83 Q84 T89 R90 C139 L180I45-V86 HydrophobicContact CG2-CG1 4.17Å; F82-V86 HydrophobicContact CD1-CG2 4.43Å; F82-V86 HydrophobicContact CE1-CG2 4.02Å; F82-V86 HydrophobicContact CE2-CG2 4.48Å; F82-V86 HydrophobicContact CZ-CG2 4.07Å; F82-V86 WeakPolarHBondContact O-CG2 3.42Å; F82-V86 PolarHBondContact O-N 2.7Å; L83-V86 PolarHBondContact O-N 3.03Å; Q84-V86 VanDerWaalsContact C-N 3.29Å; Q84-V86 PolarHBondContact O-N 2.99Å; V86-T89 PolarHBondContact O-N 2.99Å; V86-R90 WeakPolarHBondContact O-CG 3.49Å; V86-R90 PolarHBondContact O-N 3.25Å; V86-C139 HydrophobicContact CG2-CB 3.93Å; V86-L180 HydrophobicContact CG1-CD1 4.04Å; V86-L180 HydrophobicContact CG2-CD1 4.33Å; V86-L180 HydrophobicContact CG2-CD2 3.99Å
87V98.1Very high91.3Very high3 Ų358.5 Ų58.52%0.01829%0.289CS..Hα-helixtrans-61.6-47.4179.4167.80000111L44 F52 W68 L83 Q84 T89 R90 K91L44-V87 HydrophobicContact CB-CG2 4.14Å; L44-V87 HydrophobicContact CD2-CG2 4.18Å; L44-V87 WeakPolarHBondContact O-CG2 3.47Å; F52-V87 HydrophobicContact CB-CG1 3.79Å; F52-V87 HydrophobicContact CD1-CG1 3.78Å; F52-V87 HydrophobicContact CD2-CG1 3.77Å; F52-V87 HydrophobicContact CD2-CG2 4.42Å; F52-V87 HydrophobicContact CE1-CG1 4.3Å; F52-V87 HydrophobicContact CE2-CG1 4.31Å; F52-V87 HydrophobicContact CG-CG1 3.47Å; F52-V87 VanDerWaalsContact CG-CG1 3.47Å; W68-V87 HydrophobicContact CH2-CB 4.03Å; W68-V87 HydrophobicContact CH2-CG1 4.42Å; W68-V87 HydrophobicContact CH2-CG2 3.89Å; W68-V87 HydrophobicContact CZ2-CB 4.3Å; W68-V87 HydrophobicContact CZ2-CG1 4.29Å; L83-V87 WeakPolarHBondContact O-CG2 3.14Å; L83-V87 PolarHBondContact O-N 2.76Å; Q84-V87 PolarHBondContact O-N 3.49Å; V87-T89 VanDerWaalsContact C-N 3.3Å; V87-T89 PolarHBondContact O-N 3.35Å; V87-R90 PolarHBondContact O-N 3.03Å; V87-K91 PolarHBondContact O-N 3.41Å
88E96.7Very high89.3Confident82 Ų8260.1 Ų60.138%0.38331%0.306SS..Hα-helixtrans-64.8-34.5-179.3-67.3-61.1143.700112.2Q84 R90 K91Q84-E88 HydrophobicContact CG-CG 4.23Å; Q84-E88 WeakPolarHBondContact O-CB 3.41Å; Q84-E88 WeakPolarHBondContact O-CG 3.4Å; Q84-E88 PolarHBondContact O-N 3.4Å; E88-R90 PolarHBondContact O-N 2.82Å; E88-K91 PolarHBondContact O-N 3.27Å; E88-K91 IonicContact OE1-NZ 2.77Å; E88-K91 PolarHBondContact OE1-NZ 3.26Å; E88-K91 IonicContact OE2-NZ 3.79Å
89T94.9Very high87.7Confident34 Ų3460.8 Ų60.821%0.20931%0.305CS..Hα-helixtrans-61.9-29.3173.6-63.10000112.5C85 V86 V87 C139 N142C85-T89 WeakPolarHBondContact O-CB 3.41Å; C85-T89 PolarHBondContact O-N 2.7Å; C85-T89 PolarHBondContact O-OG1 3.42Å; V86-T89 PolarHBondContact O-N 2.99Å; V87-T89 VanDerWaalsContact C-N 3.3Å; V87-T89 PolarHBondContact O-N 3.35Å; T89-C139 PolarHBondContact OG1-O 2.73Å; T89-N142 HydrophobicContact CG2-CB 4.46Å
90R93.6Very high85.8Confident3 Ų369.9 Ų69.91%0.01135%0.347CS..Hα-helixtrans-94.7-8.9-176-68.2173.6177.6-127.618.7114.9I45 F47 W48 G49 V86 V87 E88 V92 P143 Y183I45-R90 PolarHBondContact O-NH1 3.49Å; I45-R90 PolarHBondContact O-NH2 2.81Å; F47-R90 WeakPolarHBondContact O-CB 3.41Å; F47-R90 WeakPolarHBondContact O-CD 3.43Å; W48-R90 HydrophobicContact CD2-CB 4.45Å; W48-R90 HydrophobicContact CE3-CB 4.03Å; W48-R90 HydrophobicContact CE3-CG 4.35Å; W48-R90 HydrophobicContact CH2-CG 4.47Å; W48-R90 HydrophobicContact CZ3-CB 4.29Å; W48-R90 HydrophobicContact CZ3-CG 4.21Å; G49-R90 PolarHBondContact N-O 2.91Å; G49-R90 VanDerWaalsContact N-O 3.15Å; V86-R90 WeakPolarHBondContact O-CG 3.49Å; V86-R90 PolarHBondContact O-N 3.25Å; V87-R90 PolarHBondContact O-N 3.03Å; E88-R90 PolarHBondContact O-N 2.82Å; R90-V92 PolarHBondContact O-N 3.16Å; R90-P143 VanDerWaalsContact NH2-CG 3.26Å; R90-Y183 VanDerWaalsContact NH1-CE1 3.26Å; R90-Y183 VanDerWaalsContact NH2-CE1 3.3Å
91K91.9Very high84Confident51 Ų5177 Ų7722%0.22239%0.385CS..SBendtrans-65-23.6170.8-69.9-169.9168.8176.50112.7G49 D53 V87 E88 K93G49-K91 WeakPolarHBondContact O-CG 3.4Å; D53-K91 IonicContact OD1-NZ 3.82Å; D53-K91 PolarHBondContact OD1-NZ 3.1Å; D53-K91 IonicContact OD2-NZ 3.99Å; D53-K91 PolarHBondContact OD2-NZ 3.29Å; V87-K91 PolarHBondContact O-N 3.41Å; E88-K91 PolarHBondContact O-N 3.27Å; E88-K91 IonicContact OE1-NZ 2.77Å; E88-K91 PolarHBondContact OE1-NZ 3.26Å; E88-K91 IonicContact OE2-NZ 3.79Å; K91-K93 PolarHBondContact O-N 3.01Å
92V84.5Confident82.1Confident104 Ų10474.9 Ų74.963%0.6338%0.375SS*.SBendtrans-77118.4-179.8-175.20000110.1R90 I94R90-V92 PolarHBondContact O-N 3.16Å; V92-I94 PolarHBondContact O-N 3.46Å
93K76.4Confident79.8Confident193 Ų19382.3 Ų82.384%0.83941%0.408SS*.PPolyproline II helixtrans-59.3128.5175.4-71-171.2179-1740111K91K91-K93 PolarHBondContact O-N 3.01Å
94I77.7Confident78.1Confident47 Ų4783.6 Ų83.624%0.24142%0.422CS..PPolyproline II helixtrans-84.2133.7176.1-60.1165.7000109.2W48 V92 P106 N142 F144W48-I94 HydrophobicContact CE3-CD1 4.45Å; W48-I94 HydrophobicContact CH2-CD1 3.51Å; W48-I94 HydrophobicContact CZ3-CD1 3.32Å; W48-I94 HydrophobicContact CZ3-CG1 4.2Å; V92-I94 PolarHBondContact O-N 3.46Å; I94-P106 HydrophobicContact CG2-CB 3.71Å; I94-N142 HydrophobicContact CD1-CB 4.48Å; I94-F144 HydrophobicContact CD1-CD2 3.53Å; I94-F144 HydrophobicContact CD1-CE2 3.42Å; I94-F144 VanDerWaalsContact CD1-CE2 3.42Å
95K76.8Confident77Confident164 Ų16486.5 Ų86.571%0.71343%0.433SS*.PPolyproline II helixtrans-70.8138.9174.2-61.7-178.1179.2-178.50109I107K95-I107 HydrophobicContact CB-CB 4.29Å; K95-I107 HydrophobicContact CB-CD1 3.94Å; K95-I107 HydrophobicContact CB-CG1 4.44Å; K95-I107 WeakPolarHBondContact O-CB 3.3Å; K95-I107 PolarHBondContact O-N 3.06Å
96Q74.3Confident76.1Confident123 Ų12387 Ų8758%0.57544%0.436SS*.BIsolated β-bridgetrans-104.7148.1176.3-69175.6-9.800110.5K105Q96-K105 WeakPolarHBondContact CA-O 3.23Å
97E67.3Low75.2Confident66 Ų6690.6 Ų90.631%0.30846%0.455SS..  trans-67.8141171.1-66.5-175.4-175.100110.8T102 G104 K105 I107E97-T102 WeakPolarHBondContact OE2-CB 3.4Å; E97-T102 PolarHBondContact OE2-OG1 2.86Å; E97-G104 PolarHBondContact O-N 3.15Å; E97-K105 PolarHBondContact N-O 2.97Å; E97-I107 HydrophobicContact CG-CD1 4.27Å; E97-I107 HydrophobicContact CG-CG1 3.59Å
98T56.8Low74.6Confident118 Ų11892.5 Ų92.572%0.72447%0.466SS*.  trans-105.74.4-176.355.10000113.6
99N63.9Low74.1Confident103 Ų10392.6 Ų92.655%0.55147%0.469SS*.SBendtrans-77.8148.2-176.4-58.6-29.6000110.8D101 T102 F103N99-D101 PolarHBondContact O-N 3.5Å; N99-T102 CarbonylContact O-C 3.47Å; N99-T102 PolarHBondContact O-N 3.37Å; N99-T102 VanDerWaalsContact O-N 3.09Å; N99-F103 WeakPolarHBondContact O-CA 3.28Å; N99-F103 PolarHBondContact O-N 2.88Å
100E60Low74Confident196 Ų19694.6 Ų94.692%0.91648%0.477SS*.THydrogen-bonded Turntrans-54.8-38.1-177.7-67.4-179.7169.700112.9
101D60.7Low74Confident157 Ų15798.3 Ų98.384%0.8450%0.503SS*.THydrogen-bonded Turntrans-83.5-13.9-178-61.8-36.1000114.5N99N99-D101 PolarHBondContact O-N 3.5Å
102T57.1Low74Confident31 Ų3199.3 Ų99.319%0.1951%0.509CS..THydrogen-bonded Turntrans-132.215.7-173.961.20000113.9E97 N99 G104 K105E97-T102 WeakPolarHBondContact OE2-CB 3.4Å; E97-T102 PolarHBondContact OE2-OG1 2.86Å; N99-T102 CarbonylContact O-C 3.47Å; N99-T102 PolarHBondContact O-N 3.37Å; N99-T102 VanDerWaalsContact O-N 3.09Å; T102-G104 PolarHBondContact O-N 3.48Å; T102-G104 VanDerWaalsContact O-N 3.15Å; T102-K105 HydrophobicContact CG2-CD 4.16Å; T102-K105 WeakPolarHBondContact O-CB 3.25Å; T102-K105 PolarHBondContact O-N 3.38Å
103F50.9Low74.5Confident161 Ų16194.4 Ų94.471%0.70648%0.479SS*.THydrogen-bonded Turntrans-49.9121.9-175.8-169-95.4000111.4N99N99-F103 WeakPolarHBondContact O-CA 3.28Å; N99-F103 PolarHBondContact O-N 2.88Å
104G64Low75.5Confident28 Ų2888 Ų8829%0.28945%0.454SS..THydrogen-bonded Turntrans88.3-6178.600000115.6E97 T102E97-G104 PolarHBondContact O-N 3.15Å; T102-G104 PolarHBondContact O-N 3.48Å; T102-G104 VanDerWaalsContact O-N 3.15Å
105K73.9Confident76.3Confident122 Ų12292 Ų9253%0.5347%0.47SS..  trans-64.2130.3172-73-172-176.4173.70110.1Q96 E97 T102 I107Q96-K105 WeakPolarHBondContact CA-O 3.23Å; E97-K105 PolarHBondContact N-O 2.97Å; T102-K105 HydrophobicContact CG2-CD 4.16Å; T102-K105 WeakPolarHBondContact O-CB 3.25Å; T102-K105 PolarHBondContact O-N 3.38Å; K105-I107 PolarHBondContact O-N 2.77Å
106P79.5Confident77.3Confident37 Ų3784.6 Ų84.624%0.2444%0.438CS..BIsolated β-bridgetrans-66.2130178.2-12.523.3000111.2I94 V108 F144I94-P106 HydrophobicContact CG2-CB 3.71Å; P106-V108 PolarHBondContact O-N 2.52Å; P106-V108 VanDerWaalsContact O-N 3.16Å; P106-F144 HydrophobicContact CB-CD1 4.25Å; P106-F144 HydrophobicContact CB-CD2 3.69Å; P106-F144 HydrophobicContact CB-CE1 4.36Å; P106-F144 HydrophobicContact CB-CE2 3.79Å; P106-F144 HydrophobicContact CB-CG 3.9Å; P106-F144 HydrophobicContact CB-CZ 4.12Å; P106-F144 HydrophobicContact CG-CD1 3.68Å; P106-F144 HydrophobicContact CG-CD2 3.83Å; P106-F144 HydrophobicContact CG-CE1 3.45Å; P106-F144 VanDerWaalsContact CG-CE1 3.45Å; P106-F144 HydrophobicContact CG-CE2 3.59Å; P106-F144 HydrophobicContact CG-CG 3.85Å; P106-F144 HydrophobicContact CG-CZ 3.38Å
107I79.7Confident78.3Confident80 Ų8079 Ų7941%0.4141%0.412SS..  trans-72.4108.7172.2-61.2175.5000108K95 E97 K105K95-I107 HydrophobicContact CB-CB 4.29Å; K95-I107 HydrophobicContact CB-CD1 3.94Å; K95-I107 HydrophobicContact CB-CG1 4.44Å; K95-I107 WeakPolarHBondContact O-CB 3.3Å; K95-I107 PolarHBondContact O-N 3.06Å; E97-I107 HydrophobicContact CG-CD1 4.27Å; E97-I107 HydrophobicContact CG-CG1 3.59Å; K105-I107 PolarHBondContact O-N 2.77Å
108V86Confident79.6Confident42 Ų4280.7 Ų80.726%0.25542%0.42SS..  trans-78.9123.4177.8-173.60000109.7P106 M110 V113 F144 Q145 A148P106-V108 PolarHBondContact O-N 2.52Å; P106-V108 VanDerWaalsContact O-N 3.16Å; V108-M110 VanDerWaalsContact C-N 3.28Å; V108-M110 HydrophobicContact CB-SD 4.33Å; V108-M110 HydrophobicContact CG1-SD 3.89Å; V108-M110 PolarHBondContact O-N 2.73Å; V108-V113 HydrophobicContact CG1-CG2 3.98Å; V108-F144 HydrophobicContact CG2-CB 3.73Å; V108-Q145 HydrophobicContact CG1-CB 4.42Å; V108-Q145 HydrophobicContact CG1-CG 3.75Å; V108-A148 HydrophobicContact CG1-CB 4.17Å
109N87.4Confident81.5Confident85 Ų8579 Ų7946%0.45540%0.4SS..  trans-71.387.8169.5179.32.4000109.9S111 E112 Q145N109-S111 PolarHBondContact O-N 2.9Å; N109-S111 VanDerWaalsContact OD1-CB 3.25Å; N109-S111 WeakPolarHBondContact OD1-CB 3.39Å; N109-S111 PolarHBondContact OD1-N 3.24Å; N109-S111 VanDerWaalsContact OD1-N 3.14Å; N109-E112 PolarHBondContact O-N 2.74Å; N109-Q145 PolarHBondContact O-NE2 3.11Å
110M92.5Very high82.9Confident76 Ų7674.1 Ų74.137%0.37437%0.374SS..Hα-helixtrans-64.1-18.4-179.5-71-56.6-64.200113.7V108 V113 N114 A148 M152V108-M110 VanDerWaalsContact C-N 3.28Å; V108-M110 HydrophobicContact CB-SD 4.33Å; V108-M110 HydrophobicContact CG1-SD 3.89Å; V108-M110 PolarHBondContact O-N 2.73Å; M110-V113 HydrophobicContact CE-CB 4.27Å; M110-V113 HydrophobicContact CE-CG1 4.2Å; M110-V113 PolarHBondContact O-N 3.14Å; M110-V113 HydrophobicContact SD-CB 4.27Å; M110-V113 HydrophobicContact SD-CG2 4.2Å; M110-N114 VanDerWaalsContact O-CB 3.26Å; M110-N114 WeakPolarHBondContact O-CB 3.39Å; M110-N114 PolarHBondContact O-N 2.67Å; M110-N114 PolarHBondContact O-ND2 3.45Å; M110-N114 VanDerWaalsContact O-ND2 3.15Å; M110-A148 HydrophobicContact SD-CB 4.07Å; M110-M152 HydrophobicContact CE-SD 4.24Å
111S92.6Very high84.4Confident80 Ų8066.9 Ų66.956%0.55934%0.342SS*.Hα-helixtrans-61.7-46.1175.7-172.90000111.4N109 K115N109-S111 PolarHBondContact O-N 2.9Å; N109-S111 VanDerWaalsContact OD1-CB 3.25Å; N109-S111 WeakPolarHBondContact OD1-CB 3.39Å; N109-S111 PolarHBondContact OD1-N 3.24Å; N109-S111 VanDerWaalsContact OD1-N 3.14Å; S111-K115 VanDerWaalsContact O-CB 3.28Å; S111-K115 WeakPolarHBondContact O-CB 3.34Å; S111-K115 PolarHBondContact O-N 3Å
112E91.8Very high86Confident73 Ų7367.7 Ų67.734%0.34134%0.338SS..Hα-helixtrans-70.7-34.8178.2-68.9-56.9142.800112.3N109 K115 T116N109-E112 PolarHBondContact O-N 2.74Å; E112-K115 IonicContact OE2-NZ 3.12Å; E112-T116 WeakPolarHBondContact O-CB 3.31Å; E112-T116 PolarHBondContact O-N 3.32Å; E112-T116 PolarHBondContact O-OG1 3.48Å
113V96Very high87.6Confident0 Ų068.5 Ų68.50%034%0.34CS..Hα-helixtrans-62.7-51.9174.4-176.10000110.1V108 M110 K115 T116 F117 Q145 A148 L149 M152V108-V113 HydrophobicContact CG1-CG2 3.98Å; M110-V113 HydrophobicContact CE-CB 4.27Å; M110-V113 HydrophobicContact CE-CG1 4.2Å; M110-V113 PolarHBondContact O-N 3.14Å; M110-V113 HydrophobicContact SD-CB 4.27Å; M110-V113 HydrophobicContact SD-CG2 4.2Å; V113-K115 PolarHBondContact O-N 3.34Å; V113-T116 PolarHBondContact O-N 3.4Å; V113-F117 WeakPolarHBondContact O-CB 3.45Å; V113-F117 PolarHBondContact O-N 3.04Å; V113-Q145 HydrophobicContact CG2-CB 3.72Å; V113-Q145 HydrophobicContact CG2-CG 3.8Å; V113-A148 HydrophobicContact CG1-CB 4.1Å; V113-A148 HydrophobicContact CG2-CB 4.28Å; V113-L149 HydrophobicContact CG1-CB 4.17Å; V113-L149 HydrophobicContact CG1-CD1 4.49Å; V113-M152 HydrophobicContact CG1-SD 3.7Å
114N96.4Very high89.2Confident58 Ų5867.7 Ų67.731%0.3134%0.336SS..Hα-helixtrans-61.3-42.9179.6-74-28.3000111.9M110 T116 F117 H118 M152M110-N114 VanDerWaalsContact O-CB 3.26Å; M110-N114 WeakPolarHBondContact O-CB 3.39Å; M110-N114 PolarHBondContact O-N 2.67Å; M110-N114 PolarHBondContact O-ND2 3.45Å; M110-N114 VanDerWaalsContact O-ND2 3.15Å; N114-T116 VanDerWaalsContact C-N 3.34Å; N114-T116 PolarHBondContact O-N 2.84Å; N114-F117 PolarHBondContact O-N 2.78Å; N114-H118 WeakPolarHBondContact O-CB 3.14Å; N114-H118 PolarHBondContact O-CD2 3.42Å; N114-H118 PolarHBondContact O-N 2.93Å; N114-M152 VanDerWaalsContact OD1-CE 3.27Å; N114-M152 WeakPolarHBondContact OD1-CE 3.42Å
115K95.8Very high90Very high132 Ų13270.2 Ų70.257%0.57434%0.342SS*.Hα-helixtrans-59.5-45.5175.9179.4-176.4172.7-167.70111.5S111 E112 V113 Y119S111-K115 VanDerWaalsContact O-CB 3.28Å; S111-K115 WeakPolarHBondContact O-CB 3.34Å; S111-K115 PolarHBondContact O-N 3Å; E112-K115 IonicContact OE2-NZ 3.12Å; V113-K115 PolarHBondContact O-N 3.34Å; K115-Y119 WeakPolarHBondContact O-CB 3.32Å; K115-Y119 PolarHBondContact O-N 2.92Å
116T96.1Very high90.4Very high8 Ų864.4 Ų64.45%0.04932%0.317CS..Hα-helixtrans-64.8-46.6177.7-59.60000111.1E112 V113 N114 H118 Y119 L120 L137 L141 L149E112-T116 WeakPolarHBondContact O-CB 3.31Å; E112-T116 PolarHBondContact O-N 3.32Å; E112-T116 PolarHBondContact O-OG1 3.48Å; V113-T116 PolarHBondContact O-N 3.4Å; N114-T116 VanDerWaalsContact C-N 3.34Å; N114-T116 PolarHBondContact O-N 2.84Å; T116-H118 PolarHBondContact O-N 3.44Å; T116-Y119 PolarHBondContact O-N 3.49Å; T116-L120 HydrophobicContact CG2-CD1 3.78Å; T116-L120 WeakPolarHBondContact O-CD1 3.41Å; T116-L120 VanDerWaalsContact O-CG 3.29Å; T116-L120 WeakPolarHBondContact O-CG 3.27Å; T116-L120 PolarHBondContact O-N 3.33Å; T116-L137 HydrophobicContact CG2-CB 4.32Å; T116-L137 HydrophobicContact CG2-CD1 4.47Å; T116-L137 HydrophobicContact CG2-CD2 4.4Å; T116-L141 HydrophobicContact CG2-CD1 4.19Å; T116-L149 HydrophobicContact CG2-CD2 4.14Å
117F96Very high90.5Very high5 Ų565.8 Ų65.82%0.02233%0.325CS..Hα-helixtrans-57.3-51.2176.4-175.3-105.2000112V113 N114 Y119 L120 L121 L149 M152 Y153 D156V113-F117 WeakPolarHBondContact O-CB 3.45Å; V113-F117 PolarHBondContact O-N 3.04Å; N114-F117 PolarHBondContact O-N 2.78Å; F117-Y119 PolarHBondContact O-N 3.27Å; F117-L120 WeakPolarHBondContact O-CB 3.28Å; F117-L120 PolarHBondContact O-N 3Å; F117-L121 HydrophobicContact CD1-CD1 3.85Å; F117-L121 HydrophobicContact CD1-CG 4.3Å; F117-L121 HydrophobicContact CE1-CD1 3.42Å; F117-L121 VanDerWaalsContact CE1-CD1 3.42Å; F117-L121 HydrophobicContact CE1-CG 4.07Å; F117-L121 HydrophobicContact CZ-CD1 3.96Å; F117-L121 HydrophobicContact CZ-CD2 4.31Å; F117-L121 HydrophobicContact CZ-CG 4.27Å; F117-L121 WeakPolarHBondContact O-CG 3.36Å; F117-L121 PolarHBondContact O-N 3.46Å; F117-L149 HydrophobicContact CB-CD1 3.81Å; F117-L149 HydrophobicContact CD2-CD1 3.93Å; F117-L149 HydrophobicContact CG-CD1 4.39Å; F117-M152 HydrophobicContact CB-CE 3.95Å; F117-M152 HydrophobicContact CB-SD 4.23Å; F117-M152 HydrophobicContact CD1-CE 3.41Å; F117-M152 VanDerWaalsContact CD1-CE 3.41Å; F117-M152 HydrophobicContact CD2-CB 3.87Å; F117-M152 HydrophobicContact CD2-CE 4.18Å; F117-M152 HydrophobicContact CD2-SD 4.43Å; F117-M152 HydrophobicContact CE1-CE 3.84Å; F117-M152 HydrophobicContact CE2-CB 3.77Å; F117-M152 HydrophobicContact CG-CB 4.46Å; F117-M152 HydrophobicContact CG-CE 3.59Å; F117-M152 HydrophobicContact CG-SD 4.19Å; F117-M152 HydrophobicContact CZ-CB 4.23Å; F117-M152 HydrophobicContact CZ-CE 4.42Å; F117-Y153 AromaticContact CD2-CD2 3.67Å; F117-Y153 HydrophobicContact CD2-CD2 3.67Å; F117-Y153 AromaticContact CD2-CE2 3.48Å; F117-Y153 HydrophobicContact CD2-CE2 3.48Å; F117-Y153 VanDerWaalsContact CD2-CE2 3.48Å; F117-Y153 AromaticContact CE2-CD2 3.56Å; F117-Y153 HydrophobicContact CE2-CD2 3.56Å; F117-Y153 AromaticContact CE2-CE2 3.65Å; F117-Y153 HydrophobicContact CE2-CE2 3.65Å; F117-Y153 HydrophobicContact CE2-CG 4.32Å; F117-D156 HydrophobicContact CZ-CB 3.98Å; F117-D156 WeakPolarHBondContact CZ-OD2 3.39Å
118H95.4Very high91Very high103 Ų10366.7 Ų66.748%0.47733%0.331SS..Hα-helixtrans-63.5-38177.8-72.8-50.1000113.1N114 T116 L120 L121 K122N114-H118 WeakPolarHBondContact O-CB 3.14Å; N114-H118 PolarHBondContact O-CD2 3.42Å; N114-H118 PolarHBondContact O-N 2.93Å; T116-H118 PolarHBondContact O-N 3.44Å; H118-L120 VanDerWaalsContact C-N 3.34Å; H118-L121 PolarHBondContact O-N 2.96Å; H118-K122 WeakPolarHBondContact O-CG 3.26Å; H118-K122 PolarHBondContact O-N 3.42Å; H118-K122 VanDerWaalsContact O-N 3.08Å
119Y95.7Very high91.3Very high82 Ų8265 Ų6532%0.32232%0.32SS..Hα-helixtrans-60.1-47173.9176.3-93.2000110.8K115 T116 F117 L121 K122 Q123 I129 Q133 L137K115-Y119 WeakPolarHBondContact O-CB 3.32Å; K115-Y119 PolarHBondContact O-N 2.92Å; T116-Y119 PolarHBondContact O-N 3.49Å; F117-Y119 PolarHBondContact O-N 3.27Å; Y119-L121 PolarHBondContact O-N 2.75Å; Y119-K122 WeakPolarHBondContact O-CB 3.39Å; Y119-K122 PolarHBondContact O-N 3.38Å; Y119-Q123 HydrophobicContact CD1-CG 4.47Å; Y119-Q123 HydrophobicContact CE1-CG 4.06Å; Y119-Q123 WeakPolarHBondContact O-CG 3.4Å; Y119-Q123 PolarHBondContact O-N 3Å; Y119-I129 HydrophobicContact CE1-CD1 4.14Å; Y119-Q133 PolarHBondContact OH-NE2 2.98Å; Y119-L137 HydrophobicContact CD1-CD1 3.56Å; Y119-L137 HydrophobicContact CD1-CD2 4.26Å; Y119-L137 HydrophobicContact CD1-CG 4.5Å; Y119-L137 HydrophobicContact CE1-CD1 3.71Å
120L94.6Very high91.7Very high0 Ų064.4 Ų64.40%032%0.32CS..Hα-helixtrans-63.4-41178.9-71159000112.4T116 F117 H118 K122 Q123 S126 I129 L137 L149 Y153 F161T116-L120 HydrophobicContact CG2-CD1 3.78Å; T116-L120 WeakPolarHBondContact O-CD1 3.41Å; T116-L120 VanDerWaalsContact O-CG 3.29Å; T116-L120 WeakPolarHBondContact O-CG 3.27Å; T116-L120 PolarHBondContact O-N 3.33Å; F117-L120 WeakPolarHBondContact O-CB 3.28Å; F117-L120 PolarHBondContact O-N 3Å; H118-L120 VanDerWaalsContact C-N 3.34Å; L120-K122 VanDerWaalsContact C-N 3.33Å; L120-K122 PolarHBondContact O-N 2.85Å; L120-Q123 WeakPolarHBondContact O-CB 3.46Å; L120-Q123 PolarHBondContact O-N 2.94Å; L120-Q123 VanDerWaalsContact O-N 3.07Å; L120-S126 PolarHBondContact O-N 2.99Å; L120-I129 HydrophobicContact CD2-CD1 3.41Å; L120-I129 VanDerWaalsContact CD2-CD1 3.41Å; L120-L137 HydrophobicContact CD2-CD1 4.08Å; L120-L137 HydrophobicContact CG-CD1 4.27Å; L120-L149 HydrophobicContact CD1-CD1 4.4Å; L120-L149 HydrophobicContact CD1-CD2 4.22Å; L120-Y153 WeakPolarHBondContact CB-OH 3.45Å; L120-Y153 HydrophobicContact CD1-CE2 4.28Å; L120-Y153 WeakPolarHBondContact CD1-OH 3.18Å; L120-F161 HydrophobicContact CD1-CE2 3.75Å; L120-F161 HydrophobicContact CD1-CZ 3.95Å
121L91.6Very high91.9Very high45 Ų4563.7 Ų63.724%0.23632%0.316CS..Hα-helixtrans-59.3-42.6174.2-71.6-176.1000112.3F117 H118 Y119 Q123 K124 N125 L157F117-L121 HydrophobicContact CD1-CD1 3.85Å; F117-L121 HydrophobicContact CD1-CG 4.3Å; F117-L121 HydrophobicContact CE1-CD1 3.42Å; F117-L121 VanDerWaalsContact CE1-CD1 3.42Å; F117-L121 HydrophobicContact CE1-CG 4.07Å; F117-L121 HydrophobicContact CZ-CD1 3.96Å; F117-L121 HydrophobicContact CZ-CD2 4.31Å; F117-L121 HydrophobicContact CZ-CG 4.27Å; F117-L121 WeakPolarHBondContact O-CG 3.36Å; F117-L121 PolarHBondContact O-N 3.46Å; H118-L121 PolarHBondContact O-N 2.96Å; Y119-L121 PolarHBondContact O-N 2.75Å; L121-Q123 PolarHBondContact O-N 3.11Å; L121-K124 PolarHBondContact O-N 2.9Å; L121-N125 WeakPolarHBondContact CD2-OD1 3.43Å; L121-N125 PolarHBondContact O-N 3Å; L121-L157 HydrophobicContact CD2-CD1 3.84Å; L121-L157 HydrophobicContact CD2-CD2 4.03Å; L121-L157 HydrophobicContact CD2-CG 4.4Å
122K92.7Very high92Very high174 Ų17466.4 Ų66.476%0.75732%0.319SS*.Hα-helixtrans-60.9-26.2176-73176.4179.8-178.40112.7H118 Y119 L120 K124H118-K122 WeakPolarHBondContact O-CG 3.26Å; H118-K122 PolarHBondContact O-N 3.42Å; H118-K122 VanDerWaalsContact O-N 3.08Å; Y119-K122 WeakPolarHBondContact O-CB 3.39Å; Y119-K122 PolarHBondContact O-N 3.38Å; L120-K122 VanDerWaalsContact C-N 3.33Å; L120-K122 PolarHBondContact O-N 2.85Å; K122-K124 PolarHBondContact O-N 2.83Å
123Q90.8Very high92.2Very high48 Ų4866.1 Ų66.122%0.22432%0.318CS..THydrogen-bonded Turntrans-79.345.2174.8-56-49.3-40.800113Y119 L120 L121 N125 S126 T127 N128 I129Y119-Q123 HydrophobicContact CD1-CG 4.47Å; Y119-Q123 HydrophobicContact CE1-CG 4.06Å; Y119-Q123 WeakPolarHBondContact O-CG 3.4Å; Y119-Q123 PolarHBondContact O-N 3Å; L120-Q123 WeakPolarHBondContact O-CB 3.46Å; L120-Q123 PolarHBondContact O-N 2.94Å; L120-Q123 VanDerWaalsContact O-N 3.07Å; L121-Q123 PolarHBondContact O-N 3.11Å; Q123-N125 PolarHBondContact O-N 3.16Å; Q123-S126 CarbonylContact O-C 3.53Å; Q123-S126 PolarHBondContact O-N 2.85Å; Q123-S126 VanDerWaalsContact O-N 3.11Å; Q123-T127 PolarHBondContact O-N 3.07Å; Q123-N128 HydrophobicContact CB-CB 4.47Å; Q123-N128 PolarHBondContact O-N 3.02Å; Q123-I129 HydrophobicContact CB-CB 4.38Å; Q123-I129 HydrophobicContact CG-CB 4.42Å
124K85Confident92.3Very high144 Ų14466.1 Ų66.163%0.62632%0.318SS*.THydrogen-bonded Turntrans50.854.5-174.6-168.3-178.4177.9178.10111L121 K122 S126 T127L121-K124 PolarHBondContact O-N 2.9Å; K122-K124 PolarHBondContact O-N 2.83Å; K124-S126 VanDerWaalsContact C-N 3.34Å; K124-S126 PolarHBondContact O-N 3.15Å; K124-T127 VanDerWaalsContact O-CB 3.23Å; K124-T127 WeakPolarHBondContact O-CB 3.29Å; K124-T127 PolarHBondContact O-N 3.38Å; K124-T127 PolarHBondContact O-OG1 3.13Å
125N80.1Confident92.4Very high80 Ų8063.7 Ų63.743%0.42831%0.306SS..THydrogen-bonded Turntrans50.653.2-172.9-60.8-22.4000111.6L121 Q123 T127 R159L121-N125 WeakPolarHBondContact CD2-OD1 3.43Å; L121-N125 PolarHBondContact O-N 3Å; Q123-N125 PolarHBondContact O-N 3.16Å; N125-T127 PolarHBondContact O-N 3.11Å; N125-R159 PolarHBondContact O-NH2 2.89Å
126S82.6Confident92.4Very high1 Ų161.1 Ų61.11%0.00730%0.298CS..THydrogen-bonded Turntrans6617.9176.5-26.30000114.5L120 Q123 K124 Y153 R168L120-S126 PolarHBondContact O-N 2.99Å; Q123-S126 CarbonylContact O-C 3.53Å; Q123-S126 PolarHBondContact O-N 2.85Å; Q123-S126 VanDerWaalsContact O-N 3.11Å; K124-S126 VanDerWaalsContact C-N 3.34Å; K124-S126 PolarHBondContact O-N 3.15Å; S126-Y153 PolarHBondContact OG-OH 3.16Å; S126-R168 WeakPolarHBondContact O-CD 3.48Å; S126-R168 PolarHBondContact O-NH1 3.14Å
127T82.5Confident92.5Very high66 Ų6662.4 Ų62.441%0.40530%0.304SS..THydrogen-bonded Turntrans-80.5-33.7178.3-52.20000111.9Q123 K124 N125Q123-T127 PolarHBondContact O-N 3.07Å; K124-T127 VanDerWaalsContact O-CB 3.23Å; K124-T127 WeakPolarHBondContact O-CB 3.29Å; K124-T127 PolarHBondContact O-N 3.38Å; K124-T127 PolarHBondContact O-OG1 3.13Å; N125-T127 PolarHBondContact O-N 3.11Å
128N89.1Confident92.5Very high99 Ų9962.1 Ų62.153%0.52930%0.303SS..SBendtrans-99.64.4-174.2-67.1-0.1000113.8Q123Q123-N128 HydrophobicContact CB-CB 4.47Å; Q123-N128 PolarHBondContact O-N 3.02Å
129I93.7Very high92.6Very high6 Ų657.4 Ų57.43%0.03128%0.282CS..  trans-74.8133.4179.2-165.4167.6000110.4Y119 L120 Q123 Q133 L134 L137 R168Y119-I129 HydrophobicContact CE1-CD1 4.14Å; L120-I129 HydrophobicContact CD2-CD1 3.41Å; L120-I129 VanDerWaalsContact CD2-CD1 3.41Å; Q123-I129 HydrophobicContact CB-CB 4.38Å; Q123-I129 HydrophobicContact CG-CB 4.42Å; I129-Q133 HydrophobicContact CD1-CB 4Å; I129-Q133 HydrophobicContact CG1-CB 3.5Å; I129-Q133 VanDerWaalsContact CG1-CB 3.5Å; I129-L134 HydrophobicContact CD1-CB 4.18Å; I129-L134 HydrophobicContact CD1-CD1 4.37Å; I129-L134 HydrophobicContact CG1-CB 4.42Å; I129-L137 HydrophobicContact CD1-CD1 3.58Å; I129-R168 HydrophobicContact CG2-CB 4.4Å; I129-R168 HydrophobicContact CG2-CG 3.75Å; I129-R168 WeakPolarHBondContact O-CD 3.41Å
130T94.9Very high92.7Very high72 Ų7259.7 Ų59.744%0.44229%0.293SS..  trans-78.5160.1173.670.80000111.2Q132 Q133 L134T130-Q132 VanDerWaalsContact C-N 3.28Å; T130-Q132 PolarHBondContact O-N 2.81Å; T130-Q133 PolarHBondContact O-N 2.5Å; T130-Q133 WeakPolarHBondContact OG1-CB 3.44Å; T130-Q133 VanDerWaalsContact OG1-CG 3.28Å; T130-Q133 WeakPolarHBondContact OG1-CG 3.4Å; T130-Q133 PolarHBondContact OG1-N 3.2Å; T130-Q133 VanDerWaalsContact OG1-N 3.12Å; T130-Q133 PolarHBondContact OG1-OE1 3.15Å; T130-L134 WeakPolarHBondContact O-CB 3.44Å; T130-L134 PolarHBondContact O-N 3.1Å
131E96.1Very high92.7Very high62 Ų6260 Ų6029%0.2930%0.295SS..Hα-helixtrans-56.2-43174.7-176.6177.784.800112L134 S135 S169 S170 M173E131-L134 WeakPolarHBondContact O-CB 3.21Å; E131-L134 PolarHBondContact O-N 3.13Å; E131-S135 PolarHBondContact O-N 3.49Å; E131-S135 PolarHBondContact O-OG 3.25Å; E131-S169 WeakPolarHBondContact OE2-CA 3.4Å; E131-S169 VanDerWaalsContact OE2-CB 3.29Å; E131-S169 WeakPolarHBondContact OE2-CB 3.3Å; E131-S170 PolarHBondContact OE2-N 3.13Å; E131-M173 HydrophobicContact CG-CB 4.13Å; E131-M173 HydrophobicContact CG-CG 3.69Å
132Q95.9Very high92.9Very high137 Ų13758.9 Ų58.964%0.6429%0.289SS*.Hα-helixtrans-66.6-37.6178.1-170.7-178.915.400112.7T130 L134 S135 N136T130-Q132 VanDerWaalsContact C-N 3.28Å; T130-Q132 PolarHBondContact O-N 2.81Å; Q132-L134 VanDerWaalsContact C-N 3.34Å; Q132-S135 WeakPolarHBondContact CA-OG 3.48Å; Q132-S135 PolarHBondContact O-OG 2.9Å; Q132-N136 VanDerWaalsContact O-CB 3.25Å; Q132-N136 WeakPolarHBondContact O-CB 3.24Å; Q132-N136 PolarHBondContact O-N 3.11Å; Q132-N136 PolarHBondContact O-ND2 3.04Å; Q132-N136 VanDerWaalsContact O-ND2 3.12Å
133Q96.1Very high93Very high66 Ų6650.9 Ų50.931%0.30826%0.255SS..Hα-helixtrans-66.2-41.2173.8-75.5171.5-30.900110.8Y119 I129 T130 L137Y119-Q133 PolarHBondContact OH-NE2 2.98Å; I129-Q133 HydrophobicContact CD1-CB 4Å; I129-Q133 HydrophobicContact CG1-CB 3.5Å; I129-Q133 VanDerWaalsContact CG1-CB 3.5Å; T130-Q133 PolarHBondContact O-N 2.5Å; T130-Q133 WeakPolarHBondContact OG1-CB 3.44Å; T130-Q133 VanDerWaalsContact OG1-CG 3.28Å; T130-Q133 WeakPolarHBondContact OG1-CG 3.4Å; T130-Q133 PolarHBondContact OG1-N 3.2Å; T130-Q133 VanDerWaalsContact OG1-N 3.12Å; T130-Q133 PolarHBondContact OG1-OE1 3.15Å; Q133-L137 VanDerWaalsContact O-CG 3.29Å; Q133-L137 WeakPolarHBondContact O-CG 3.03Å; Q133-L137 PolarHBondContact O-N 3.22Å; Q133-L137 VanDerWaalsContact O-N 3.16Å
134L97.1Very high93.1Very high0 Ų051.3 Ų51.30%026%0.256CS..Hα-helixtrans-63.2-48.7177.4-176.461.7000110.8I129 T130 E131 Q132 N136 L137 L138 F161 I165 R168 L177I129-L134 HydrophobicContact CD1-CB 4.18Å; I129-L134 HydrophobicContact CD1-CD1 4.37Å; I129-L134 HydrophobicContact CG1-CB 4.42Å; T130-L134 WeakPolarHBondContact O-CB 3.44Å; T130-L134 PolarHBondContact O-N 3.1Å; E131-L134 WeakPolarHBondContact O-CB 3.21Å; E131-L134 PolarHBondContact O-N 3.13Å; Q132-L134 VanDerWaalsContact C-N 3.34Å; L134-N136 PolarHBondContact O-N 2.99Å; L134-L137 PolarHBondContact O-N 3.31Å; L134-L137 VanDerWaalsContact O-N 3.15Å; L134-L138 HydrophobicContact CD1-CD1 4.01Å; L134-L138 HydrophobicContact CD1-CD2 4.24Å; L134-L138 HydrophobicContact CD1-CG 3.98Å; L134-L138 HydrophobicContact CG-CD1 4.2Å; L134-L138 HydrophobicContact CG-CG 4.35Å; L134-L138 WeakPolarHBondContact O-CG 3.32Å; L134-L138 PolarHBondContact O-N 2.67Å; L134-F161 HydrophobicContact CD1-CE1 4.35Å; L134-F161 HydrophobicContact CD1-CZ 3.91Å; L134-I165 HydrophobicContact CD2-CG1 4.36Å; L134-R168 HydrophobicContact CD2-CB 3.86Å; L134-L177 HydrophobicContact CD2-CD1 4.12Å; L134-L177 HydrophobicContact CG-CD1 4.35Å
135S97.9Very high93.6Very high8 Ų845 Ų456%0.05623%0.229CC..Hα-helixtrans-60.1-44.6178.7690000112.3E131 Q132 L137 L138 C139E131-S135 PolarHBondContact O-N 3.49Å; E131-S135 PolarHBondContact O-OG 3.25Å; Q132-S135 WeakPolarHBondContact CA-OG 3.48Å; Q132-S135 PolarHBondContact O-OG 2.9Å; S135-L137 PolarHBondContact O-N 2.83Å; S135-L138 PolarHBondContact O-N 3.26Å; S135-C139 WeakPolarHBondContact O-CB 3.46Å; S135-C139 PolarHBondContact O-N 3.48Å; S135-C139 PolarHBondContact O-SG 3.04Å
136N97.2Very high94.4Very high77 Ų7741.2 Ų41.241%0.41221%0.209SC..Hα-helixtrans-63.2-24.6177.3-77.2-23.6000114.4Q132 L134 K140Q132-N136 VanDerWaalsContact O-CB 3.25Å; Q132-N136 WeakPolarHBondContact O-CB 3.24Å; Q132-N136 PolarHBondContact O-N 3.11Å; Q132-N136 PolarHBondContact O-ND2 3.04Å; Q132-N136 VanDerWaalsContact O-ND2 3.12Å; L134-N136 PolarHBondContact O-N 2.99Å; N136-K140 VanDerWaalsContact O-CD 3.32Å; N136-K140 WeakPolarHBondContact O-CD 3.17Å; N136-K140 VanDerWaalsContact O-CE 3.28Å; N136-K140 WeakPolarHBondContact O-CE 3.47Å
137L96.7Very high95.1Very high35 Ų3544.5 Ų44.518%0.18322%0.224CC..Hα-helixtrans-82-52.2173.6-70.7170.3000110.7T116 Y119 L120 I129 Q133 L134 S135 C139 K140T116-L137 HydrophobicContact CG2-CB 4.32Å; T116-L137 HydrophobicContact CG2-CD1 4.47Å; T116-L137 HydrophobicContact CG2-CD2 4.4Å; Y119-L137 HydrophobicContact CD1-CD1 3.56Å; Y119-L137 HydrophobicContact CD1-CD2 4.26Å; Y119-L137 HydrophobicContact CD1-CG 4.5Å; Y119-L137 HydrophobicContact CE1-CD1 3.71Å; L120-L137 HydrophobicContact CD2-CD1 4.08Å; L120-L137 HydrophobicContact CG-CD1 4.27Å; I129-L137 HydrophobicContact CD1-CD1 3.58Å; Q133-L137 VanDerWaalsContact O-CG 3.29Å; Q133-L137 WeakPolarHBondContact O-CG 3.03Å; Q133-L137 PolarHBondContact O-N 3.22Å; Q133-L137 VanDerWaalsContact O-N 3.16Å; L134-L137 PolarHBondContact O-N 3.31Å; L134-L137 VanDerWaalsContact O-N 3.15Å; S135-L137 PolarHBondContact O-N 2.83Å; L137-C139 PolarHBondContact O-N 3.33Å; L137-K140 PolarHBondContact O-N 2.75Å
138L97.4Very high95.8Very high0 Ų042 Ų420%021%0.211CC..Hα-helixtrans-71.1-32.8-170.7-57.2-166.9000112.8L134 S135 K140 L141 L146 L149 F161 I165 L177 L180L134-L138 HydrophobicContact CD1-CD1 4.01Å; L134-L138 HydrophobicContact CD1-CD2 4.24Å; L134-L138 HydrophobicContact CD1-CG 3.98Å; L134-L138 HydrophobicContact CG-CD1 4.2Å; L134-L138 HydrophobicContact CG-CG 4.35Å; L134-L138 WeakPolarHBondContact O-CG 3.32Å; L134-L138 PolarHBondContact O-N 2.67Å; S135-L138 PolarHBondContact O-N 3.26Å; L138-K140 PolarHBondContact O-N 3.25Å; L138-K140 VanDerWaalsContact O-N 3.11Å; L138-L141 HydrophobicContact CD2-CD1 4.25Å; L138-L141 PolarHBondContact O-N 2.91Å; L138-L146 HydrophobicContact CD1-CD1 4.49Å; L138-L146 HydrophobicContact CD2-CD1 3.84Å; L138-L149 HydrophobicContact CD2-CD2 4.24Å; L138-F161 HydrophobicContact CD1-CE1 3.68Å; L138-F161 HydrophobicContact CD1-CZ 4.48Å; L138-F161 HydrophobicContact CD2-CE1 3.55Å; L138-F161 HydrophobicContact CD2-CZ 3.84Å; L138-F161 HydrophobicContact CG-CE1 4.22Å; L138-I165 HydrophobicContact CD1-CD1 4Å; L138-I165 HydrophobicContact CD1-CG1 4.18Å; L138-L177 HydrophobicContact CB-CD2 4.2Å; L138-L177 HydrophobicContact CD1-CD2 3.83Å; L138-L177 HydrophobicContact CG-CD2 4.36Å; L138-L180 HydrophobicContact CB-CD2 4.32Å
139C97.8Very high96.2Very high3 Ų337.3 Ų37.32%0.0219%0.185CC..THydrogen-bonded Turntrans-63.5-18.8178.578.20000113.2F82 C85 V86 T89 S135 L137F82-C139 HydrophobicContact CD2-CB 3.66Å; F82-C139 HydrophobicContact CE2-CB 3.69Å; C85-C139 CarbonylContact C-O 3.55Å; C85-C139 HydrophobicContact CB-CB 3.55Å; C85-C139 WeakPolarHBondContact CB-SG 3.5Å; C85-C139 WeakPolarHBondContact SG-CB 3.15Å; C85-C139 PolarHBondContact SG-O 3.47Å; C85-C139 VanDerWaalsContact SG-O 3.36Å; C85-C139 CovalentContact SG-SG 2.04Å; C85-C139 PolarHBondContact SG-SG 2.85Å; V86-C139 HydrophobicContact CG2-CB 3.93Å; T89-C139 PolarHBondContact OG1-O 2.73Å; S135-C139 WeakPolarHBondContact O-CB 3.46Å; S135-C139 PolarHBondContact O-N 3.48Å; S135-C139 PolarHBondContact O-SG 3.04Å; L137-C139 PolarHBondContact O-N 3.33Å
140K96.2Very high96.4Very high130 Ų13037.1 Ų37.157%0.56518%0.184SC*.THydrogen-bonded Turntrans-94.90.8179.2-61.1176.8-173.7165.80113.5N136 L137 L138N136-K140 VanDerWaalsContact O-CD 3.32Å; N136-K140 WeakPolarHBondContact O-CD 3.17Å; N136-K140 VanDerWaalsContact O-CE 3.28Å; N136-K140 WeakPolarHBondContact O-CE 3.47Å; L137-K140 PolarHBondContact O-N 2.75Å; L138-K140 PolarHBondContact O-N 3.25Å; L138-K140 VanDerWaalsContact O-N 3.11Å
141L95.8Very high96.5Very high6 Ų637.9 Ų37.93%0.03118%0.184CC..SBendtrans-101.1128.8174.6-59.6-177.2000108.9T116 L138 Q145 L146 L149T116-L141 HydrophobicContact CG2-CD1 4.19Å; L138-L141 HydrophobicContact CD2-CD1 4.25Å; L138-L141 PolarHBondContact O-N 2.91Å; L141-Q145 HydrophobicContact CB-CB 4.08Å; L141-Q145 HydrophobicContact CD2-CB 4.15Å; L141-L146 HydrophobicContact CB-CB 4.42Å; L141-L146 HydrophobicContact CD1-CD1 4.05Å; L141-L149 HydrophobicContact CD1-CD2 3.88Å
142N94.5Very high96.4Very high22 Ų2236.2 Ų36.212%0.11818%0.176CC..  trans-71.9165.1166.271.647.3000110.3W48 T89 I94 F144 Q145 L146W48-N142 HydrophobicContact CH2-CB 4.49Å; T89-N142 HydrophobicContact CG2-CB 4.46Å; I94-N142 HydrophobicContact CD1-CB 4.48Å; N142-F144 VanDerWaalsContact C-N 3.3Å; N142-F144 PolarHBondContact O-N 2.88Å; N142-F144 PolarHBondContact OD1-N 3.19Å; N142-F144 VanDerWaalsContact OD1-N 3.16Å; N142-Q145 PolarHBondContact ND2-OE1 3.06Å; N142-Q145 WeakPolarHBondContact O-CB 3.27Å; N142-Q145 PolarHBondContact O-N 3.17Å; N142-Q145 PolarHBondContact OD1-N 3.33Å; N142-L146 PolarHBondContact O-N 3.18Å
143P94.8Very high96.4Very high6 Ų629.7 Ų29.74%0.03915%0.146CC..Hα-helixtrans-50-44.3-177.5-34.939.4000115.3W48 R90 Q145 L146 E147 Y183 S184W48-P143 HydrophobicContact CH2-CG 4.15Å; W48-P143 HydrophobicContact CZ2-CG 3.84Å; R90-P143 VanDerWaalsContact NH2-CG 3.26Å; P143-Q145 VanDerWaalsContact C-N 3.33Å; P143-Q145 PolarHBondContact O-N 2.79Å; P143-L146 PolarHBondContact O-N 3.18Å; P143-E147 WeakPolarHBondContact O-CB 3.34Å; P143-E147 PolarHBondContact O-N 3.44Å; P143-Y183 HydrophobicContact CB-CE1 4.4Å; P143-Y183 HydrophobicContact CG-CD1 4.13Å; P143-Y183 HydrophobicContact CG-CE1 3.75Å; P143-S184 WeakPolarHBondContact CA-OG 3.39Å
144F94.4Very high96.4Very high58 Ų5831 Ų3125%0.25415%0.152SC..Hα-helixtrans-70.1-32.3-177.7-46.3-67.6000112.2W48 I94 P106 V108 N142 A148W48-F144 HydrophobicContact CH2-CD2 4.49Å; W48-F144 AromaticContact CH2-CE2 3.86Å; W48-F144 HydrophobicContact CH2-CE2 3.86Å; W48-F144 HydrophobicContact CZ2-CE2 4.31Å; I94-F144 HydrophobicContact CD1-CD2 3.53Å; I94-F144 HydrophobicContact CD1-CE2 3.42Å; I94-F144 VanDerWaalsContact CD1-CE2 3.42Å; P106-F144 HydrophobicContact CB-CD1 4.25Å; P106-F144 HydrophobicContact CB-CD2 3.69Å; P106-F144 HydrophobicContact CB-CE1 4.36Å; P106-F144 HydrophobicContact CB-CE2 3.79Å; P106-F144 HydrophobicContact CB-CG 3.9Å; P106-F144 HydrophobicContact CB-CZ 4.12Å; P106-F144 HydrophobicContact CG-CD1 3.68Å; P106-F144 HydrophobicContact CG-CD2 3.83Å; P106-F144 HydrophobicContact CG-CE1 3.45Å; P106-F144 VanDerWaalsContact CG-CE1 3.45Å; P106-F144 HydrophobicContact CG-CE2 3.59Å; P106-F144 HydrophobicContact CG-CG 3.85Å; P106-F144 HydrophobicContact CG-CZ 3.38Å; V108-F144 HydrophobicContact CG2-CB 3.73Å; N142-F144 VanDerWaalsContact C-N 3.3Å; N142-F144 PolarHBondContact O-N 2.88Å; N142-F144 PolarHBondContact OD1-N 3.19Å; N142-F144 VanDerWaalsContact OD1-N 3.16Å; F144-A148 WeakPolarHBondContact O-CB 3.35Å; F144-A148 PolarHBondContact O-N 2.84Å
145Q95.9Very high96.4Very high12 Ų1237 Ų376%0.05618%0.18CC..Hα-helixtrans-70.1-37.1171.9-70.7175.8-47.100112.2V108 N109 V113 L141 N142 P143 A148 L149V108-Q145 HydrophobicContact CG1-CB 4.42Å; V108-Q145 HydrophobicContact CG1-CG 3.75Å; N109-Q145 PolarHBondContact O-NE2 3.11Å; V113-Q145 HydrophobicContact CG2-CB 3.72Å; V113-Q145 HydrophobicContact CG2-CG 3.8Å; L141-Q145 HydrophobicContact CB-CB 4.08Å; L141-Q145 HydrophobicContact CD2-CB 4.15Å; N142-Q145 PolarHBondContact ND2-OE1 3.06Å; N142-Q145 WeakPolarHBondContact O-CB 3.27Å; N142-Q145 PolarHBondContact O-N 3.17Å; N142-Q145 PolarHBondContact OD1-N 3.33Å; P143-Q145 VanDerWaalsContact C-N 3.33Å; P143-Q145 PolarHBondContact O-N 2.79Å; Q145-A148 PolarHBondContact O-N 3.47Å; Q145-L149 WeakPolarHBondContact O-CB 3.49Å; Q145-L149 PolarHBondContact O-N 3.22Å
146L97Very high96.2Very high0 Ų041.3 Ų41.30%020%0.203CC..Hα-helixtrans-71.3-37.3177.6-16961.3000111.5L138 L141 N142 P143 L149 D150 F161 L180L138-L146 HydrophobicContact CD1-CD1 4.49Å; L138-L146 HydrophobicContact CD2-CD1 3.84Å; L141-L146 HydrophobicContact CB-CB 4.42Å; L141-L146 HydrophobicContact CD1-CD1 4.05Å; N142-L146 PolarHBondContact O-N 3.18Å; P143-L146 PolarHBondContact O-N 3.18Å; L146-L149 HydrophobicContact CD1-CD2 4.19Å; L146-L149 WeakPolarHBondContact O-CB 3.47Å; L146-L149 PolarHBondContact O-N 3.38Å; L146-D150 PolarHBondContact O-N 2.8Å; L146-F161 HydrophobicContact CD1-CD1 4.47Å; L146-F161 HydrophobicContact CD1-CE1 4.47Å; L146-L180 HydrophobicContact CD2-CD2 4.47Å; L146-L180 HydrophobicContact CD2-CG 4.02Å
147E97.2Very high95.9Very high69 Ų6939.9 Ų39.932%0.32219%0.194SC..Hα-helixtrans-61.3-48.7170.4-167.3-168.5-17900111.2P143 L149 D150 M151P143-E147 WeakPolarHBondContact O-CB 3.34Å; P143-E147 PolarHBondContact O-N 3.44Å; E147-L149 VanDerWaalsContact C-N 3.3Å; E147-L149 PolarHBondContact O-N 2.92Å; E147-D150 WeakPolarHBondContact O-CB 3.34Å; E147-D150 PolarHBondContact O-N 2.88Å; E147-D150 VanDerWaalsContact O-N 3.1Å; E147-M151 HydrophobicContact CG-CE 3.81Å; E147-M151 WeakPolarHBondContact O-CG 3.16Å; E147-M151 PolarHBondContact O-N 3.35Å; E147-M151 WeakPolarHBondContact OE1-CE 3.31Å
148A96.5Very high95.8Very high15 Ų1546.3 Ų46.312%0.12422%0.221CC..Hα-helixtrans-60-39.2175.500000112.4V108 M110 V113 F144 Q145 M151 M152V108-A148 HydrophobicContact CG1-CB 4.17Å; M110-A148 HydrophobicContact SD-CB 4.07Å; V113-A148 HydrophobicContact CG1-CB 4.1Å; V113-A148 HydrophobicContact CG2-CB 4.28Å; F144-A148 WeakPolarHBondContact O-CB 3.35Å; F144-A148 PolarHBondContact O-N 2.84Å; Q145-A148 PolarHBondContact O-N 3.47Å; A148-M151 PolarHBondContact O-N 3.36Å; A148-M152 WeakPolarHBondContact O-CG 3.44Å; A148-M152 PolarHBondContact O-N 3.03Å
149L96.9Very high95.6Very high0 Ų048.6 Ų48.60%023%0.23CC..Hα-helixtrans-61.3-44.3174.2-177.766.4000111.2V113 T116 F117 L120 L138 L141 Q145 L146 E147 M152 Y153 F161V113-L149 HydrophobicContact CG1-CB 4.17Å; V113-L149 HydrophobicContact CG1-CD1 4.49Å; T116-L149 HydrophobicContact CG2-CD2 4.14Å; F117-L149 HydrophobicContact CB-CD1 3.81Å; F117-L149 HydrophobicContact CD2-CD1 3.93Å; F117-L149 HydrophobicContact CG-CD1 4.39Å; L120-L149 HydrophobicContact CD1-CD1 4.4Å; L120-L149 HydrophobicContact CD1-CD2 4.22Å; L138-L149 HydrophobicContact CD2-CD2 4.24Å; L141-L149 HydrophobicContact CD1-CD2 3.88Å; Q145-L149 WeakPolarHBondContact O-CB 3.49Å; Q145-L149 PolarHBondContact O-N 3.22Å; L146-L149 HydrophobicContact CD1-CD2 4.19Å; L146-L149 WeakPolarHBondContact O-CB 3.47Å; L146-L149 PolarHBondContact O-N 3.38Å; E147-L149 VanDerWaalsContact C-N 3.3Å; E147-L149 PolarHBondContact O-N 2.92Å; L149-M152 PolarHBondContact O-N 3.49Å; L149-Y153 HydrophobicContact CD1-CD2 4.22Å; L149-Y153 HydrophobicContact CD1-CE2 3.96Å; L149-Y153 HydrophobicContact CG-CD2 4.32Å; L149-Y153 HydrophobicContact CG-CE2 4.29Å; L149-Y153 WeakPolarHBondContact O-CD2 3.45Å; L149-Y153 PolarHBondContact O-N 3.44Å; L149-Y153 VanDerWaalsContact O-N 3.11Å; L149-F161 HydrophobicContact CD2-CD1 4.38Å; L149-F161 HydrophobicContact CD2-CD2 4.3Å; L149-F161 HydrophobicContact CD2-CE1 4.06Å; L149-F161 HydrophobicContact CD2-CE2 4.01Å; L149-F161 HydrophobicContact CD2-CG 4.48Å; L149-F161 HydrophobicContact CD2-CZ 3.87Å; L149-F161 HydrophobicContact CG-CD2 4.41Å; L149-F161 HydrophobicContact CG-CE2 4.49Å
150D97.7Very high95.4Very high2 Ų250.5 Ų50.51%0.01124%0.241CC..Hα-helixtrans-62-43.4176.7-172.674.4000111.8L146 E147 M152 Y153 Q154 F161 Y181 V185L146-D150 PolarHBondContact O-N 2.8Å; E147-D150 WeakPolarHBondContact O-CB 3.34Å; E147-D150 PolarHBondContact O-N 2.88Å; E147-D150 VanDerWaalsContact O-N 3.1Å; D150-M152 VanDerWaalsContact C-N 3.33Å; D150-M152 PolarHBondContact O-N 3.01Å; D150-Y153 WeakPolarHBondContact O-CB 3.36Å; D150-Y153 PolarHBondContact O-N 3.43Å; D150-Y153 VanDerWaalsContact O-N 3.09Å; D150-Q154 WeakPolarHBondContact O-CG 3.25Å; D150-Q154 PolarHBondContact O-N 2.92Å; D150-Q154 PolarHBondContact OD2-NE2 3.26Å; D150-F161 HydrophobicContact CB-CB 4.18Å; D150-F161 VanDerWaalsContact OD1-CB 3.26Å; D150-F161 WeakPolarHBondContact OD1-CB 3.05Å; D150-F161 PolarHBondContact OD1-N 2.92Å; D150-Y181 HydrophobicContact CB-CE2 4.07Å; D150-Y181 VanDerWaalsContact CG-OH 3.25Å; D150-Y181 VanDerWaalsContact OD1-CE2 3.27Å; D150-Y181 WeakPolarHBondContact OD1-CE2 3.34Å; D150-Y181 PolarHBondContact OD1-OH 3.14Å; D150-Y181 PolarHBondContact OD2-OH 3.36Å; D150-V185 HydrophobicContact CB-CG2 3.93Å
151M96.9Very high95.4Very high88 Ų8844.3 Ų44.343%0.43321%0.214SC..Hα-helixtrans-57.9-43.3175.1-66.2-170.9-164.300112.2E147 A148 Y153 Q154 Q155E147-M151 HydrophobicContact CG-CE 3.81Å; E147-M151 WeakPolarHBondContact O-CG 3.16Å; E147-M151 PolarHBondContact O-N 3.35Å; E147-M151 WeakPolarHBondContact OE1-CE 3.31Å; A148-M151 PolarHBondContact O-N 3.36Å; M151-Y153 VanDerWaalsContact C-N 3.32Å; M151-Y153 PolarHBondContact O-N 2.68Å; M151-Q154 PolarHBondContact O-N 3.45Å; M151-Q155 WeakPolarHBondContact O-CB 3.47Å; M151-Q155 VanDerWaalsContact O-CG 3.3Å; M151-Q155 WeakPolarHBondContact O-CG 3.39Å; M151-Q155 PolarHBondContact O-N 2.96Å
152M95.6Very high95.4Very high26 Ų2647.5 Ų47.513%0.12823%0.228CC..Hα-helixtrans-62-39.7175.9-67.7177.876.500111.9M110 V113 N114 F117 A148 L149 D150 Q155 D156M110-M152 HydrophobicContact CE-SD 4.24Å; V113-M152 HydrophobicContact CG1-SD 3.7Å; N114-M152 VanDerWaalsContact OD1-CE 3.27Å; N114-M152 WeakPolarHBondContact OD1-CE 3.42Å; F117-M152 HydrophobicContact CB-CE 3.95Å; F117-M152 HydrophobicContact CB-SD 4.23Å; F117-M152 HydrophobicContact CD1-CE 3.41Å; F117-M152 VanDerWaalsContact CD1-CE 3.41Å; F117-M152 HydrophobicContact CD2-CB 3.87Å; F117-M152 HydrophobicContact CD2-CE 4.18Å; F117-M152 HydrophobicContact CD2-SD 4.43Å; F117-M152 HydrophobicContact CE1-CE 3.84Å; F117-M152 HydrophobicContact CE2-CB 3.77Å; F117-M152 HydrophobicContact CG-CB 4.46Å; F117-M152 HydrophobicContact CG-CE 3.59Å; F117-M152 HydrophobicContact CG-SD 4.19Å; F117-M152 HydrophobicContact CZ-CB 4.23Å; F117-M152 HydrophobicContact CZ-CE 4.42Å; A148-M152 WeakPolarHBondContact O-CG 3.44Å; A148-M152 PolarHBondContact O-N 3.03Å; L149-M152 PolarHBondContact O-N 3.49Å; D150-M152 VanDerWaalsContact C-N 3.33Å; D150-M152 PolarHBondContact O-N 3.01Å; M152-Q155 PolarHBondContact O-N 3.28Å; M152-D156 WeakPolarHBondContact O-CB 3.18Å; M152-D156 PolarHBondContact O-N 2.97Å
153Y95.6Very high95.5Very high0 Ų049.6 Ų49.60%024%0.237CC..Hα-helixtrans-63.7-43.6175.5-94.6-105.2000112.5F117 L120 S126 L149 D150 M151 L157 K158 R159 F161 V164F117-Y153 AromaticContact CD2-CD2 3.67Å; F117-Y153 HydrophobicContact CD2-CD2 3.67Å; F117-Y153 AromaticContact CD2-CE2 3.48Å; F117-Y153 HydrophobicContact CD2-CE2 3.48Å; F117-Y153 VanDerWaalsContact CD2-CE2 3.48Å; F117-Y153 AromaticContact CE2-CD2 3.56Å; F117-Y153 HydrophobicContact CE2-CD2 3.56Å; F117-Y153 AromaticContact CE2-CE2 3.65Å; F117-Y153 HydrophobicContact CE2-CE2 3.65Å; F117-Y153 HydrophobicContact CE2-CG 4.32Å; L120-Y153 WeakPolarHBondContact CB-OH 3.45Å; L120-Y153 HydrophobicContact CD1-CE2 4.28Å; L120-Y153 WeakPolarHBondContact CD1-OH 3.18Å; S126-Y153 PolarHBondContact OG-OH 3.16Å; L149-Y153 HydrophobicContact CD1-CD2 4.22Å; L149-Y153 HydrophobicContact CD1-CE2 3.96Å; L149-Y153 HydrophobicContact CG-CD2 4.32Å; L149-Y153 HydrophobicContact CG-CE2 4.29Å; L149-Y153 WeakPolarHBondContact O-CD2 3.45Å; L149-Y153 PolarHBondContact O-N 3.44Å; L149-Y153 VanDerWaalsContact O-N 3.11Å; D150-Y153 WeakPolarHBondContact O-CB 3.36Å; D150-Y153 PolarHBondContact O-N 3.43Å; D150-Y153 VanDerWaalsContact O-N 3.09Å; M151-Y153 VanDerWaalsContact C-N 3.32Å; M151-Y153 PolarHBondContact O-N 2.68Å; Y153-L157 HydrophobicContact CD1-CD1 3.68Å; Y153-L157 HydrophobicContact CE1-CD1 3.61Å; Y153-L157 HydrophobicContact CG-CD1 4.32Å; Y153-L157 CarbonylContact O-C 3.08Å; Y153-L157 WeakPolarHBondContact O-CA 3.48Å; Y153-L157 WeakPolarHBondContact O-CB 3.48Å; Y153-L157 PolarHBondContact O-N 3.38Å; Y153-K158 PolarHBondContact O-N 3.1Å; Y153-R159 CarbonylContact C-O 3.55Å; Y153-R159 WeakPolarHBondContact CB-O 3.25Å; Y153-R159 HydrophobicContact CD1-CG 4.41Å; Y153-R159 VanDerWaalsContact O-O 3.09Å; Y153-F161 AromaticContact CD1-CD2 3.87Å; Y153-F161 HydrophobicContact CD1-CD2 3.87Å; Y153-F161 AromaticContact CD2-CD2 3.6Å; Y153-F161 HydrophobicContact CD2-CD2 3.6Å; Y153-F161 HydrophobicContact CD2-CE2 4.25Å; Y153-F161 AromaticContact CE1-CD2 3.75Å; Y153-F161 HydrophobicContact CE1-CD2 3.75Å; Y153-F161 HydrophobicContact CE1-CE2 4.08Å; Y153-F161 AromaticContact CE2-CD2 3.44Å; Y153-F161 HydrophobicContact CE2-CD2 3.44Å; Y153-F161 VanDerWaalsContact CE2-CD2 3.44Å; Y153-F161 AromaticContact CE2-CE2 3.62Å; Y153-F161 HydrophobicContact CE2-CE2 3.62Å; Y153-F161 HydrophobicContact CG-CB 4.38Å; Y153-F161 AromaticContact CG-CD2 3.8Å; Y153-F161 HydrophobicContact CG-CD2 3.8Å; Y153-F161 AromaticContact CZ-CD2 3.52Å; Y153-F161 AromaticContact CZ-CE2 3.52Å; Y153-V164 HydrophobicContact CD1-CG2 3.98Å; Y153-V164 HydrophobicContact CE1-CG2 3.49Å; Y153-V164 VanDerWaalsContact CE1-CG2 3.49Å
154Q96.5Very high95.5Very high93 Ų9349.4 Ų49.444%0.43524%0.236SC..Hα-helixtrans-64.6-41.8177.5-66.5-172.529.900111.6D150 M151 K158 R159 T160D150-Q154 WeakPolarHBondContact O-CG 3.25Å; D150-Q154 PolarHBondContact O-N 2.92Å; D150-Q154 PolarHBondContact OD2-NE2 3.26Å; M151-Q154 PolarHBondContact O-N 3.45Å; Q154-K158 WeakPolarHBondContact O-CA 3.45Å; Q154-K158 WeakPolarHBondContact O-CD 3.4Å; Q154-K158 PolarHBondContact O-N 2.76Å; Q154-R159 WeakPolarHBondContact CA-O 3.49Å; Q154-R159 PolarHBondContact N-O 2.85Å; Q154-T160 HydrophobicContact CG-CG2 4.19Å
155Q95.8Very high95.6Very high127 Ų12746.7 Ų46.759%0.59322%0.224SC*.Hα-helixtrans-71.4-50.9-178.4-72177.42.900112.4M151 M152 K158M151-Q155 WeakPolarHBondContact O-CB 3.47Å; M151-Q155 VanDerWaalsContact O-CG 3.3Å; M151-Q155 WeakPolarHBondContact O-CG 3.39Å; M151-Q155 PolarHBondContact O-N 2.96Å; M152-Q155 PolarHBondContact O-N 3.28Å; Q155-K158 WeakPolarHBondContact O-CE 3.45Å; Q155-K158 PolarHBondContact O-NZ 3.08Å
156D93.5Very high95.6Very high99 Ų9952.4 Ų52.453%0.52925%0.249SC..Hα-helixtrans-89.9-33.2-169.3-67.5-6.2000112.8F117 M152F117-D156 HydrophobicContact CZ-CB 3.98Å; F117-D156 WeakPolarHBondContact CZ-OD2 3.39Å; M152-D156 WeakPolarHBondContact O-CB 3.18Å; M152-D156 PolarHBondContact O-N 2.97Å
157L91.8Very high95.5Very high46 Ų4659.2 Ų59.224%0.24127%0.274CS..Hα-helixtrans-113.7-2.5-173-55.4-177.5000113.8L121 Y153 R159L121-L157 HydrophobicContact CD2-CD1 3.84Å; L121-L157 HydrophobicContact CD2-CD2 4.03Å; L121-L157 HydrophobicContact CD2-CG 4.4Å; Y153-L157 HydrophobicContact CD1-CD1 3.68Å; Y153-L157 HydrophobicContact CE1-CD1 3.61Å; Y153-L157 HydrophobicContact CG-CD1 4.32Å; Y153-L157 CarbonylContact O-C 3.08Å; Y153-L157 WeakPolarHBondContact O-CA 3.48Å; Y153-L157 WeakPolarHBondContact O-CB 3.48Å; Y153-L157 PolarHBondContact O-N 3.38Å; L157-R159 HydrophobicContact CB-CG 4.04Å; L157-R159 PolarHBondContact O-N 3.22Å
158K93.8Very high95.4Very high171 Ų17159 Ų5974%0.74327%0.27SS*.SBendtrans53.434.9179-51.4-51.3-174.4-163.50113.5Y153 Q154 Q155Y153-K158 PolarHBondContact O-N 3.1Å; Q154-K158 WeakPolarHBondContact O-CA 3.45Å; Q154-K158 WeakPolarHBondContact O-CD 3.4Å; Q154-K158 PolarHBondContact O-N 2.76Å; Q155-K158 WeakPolarHBondContact O-CE 3.45Å; Q155-K158 PolarHBondContact O-NZ 3.08Å
159R93.1Very high95.4Very high48 Ų4858.8 Ų58.818%0.18127%0.268CS..SBendtrans-146.8156.1175.465.4-178.5-178.4176.71.9109.5N125 Y153 Q154 L157N125-R159 PolarHBondContact O-NH2 2.89Å; Y153-R159 CarbonylContact C-O 3.55Å; Y153-R159 WeakPolarHBondContact CB-O 3.25Å; Y153-R159 HydrophobicContact CD1-CG 4.41Å; Y153-R159 VanDerWaalsContact O-O 3.09Å; Q154-R159 WeakPolarHBondContact CA-O 3.49Å; Q154-R159 PolarHBondContact N-O 2.85Å; L157-R159 HydrophobicContact CB-CG 4.04Å; L157-R159 PolarHBondContact O-N 3.22Å
160T94.3Very high95.4Very high43 Ų4362.8 Ų62.826%0.26430%0.297SS..  trans-81.9156.7176.360.40000111.3Q154 F162 E163Q154-T160 HydrophobicContact CG-CG2 4.19Å; T160-F162 PolarHBondContact O-N 3.15Å; T160-E163 PolarHBondContact O-N 3.11Å
161F95.8Very high95.4Very high0 Ų065.1 Ų65.10%032%0.321CS..Hα-helixtrans-70.5-23.5173.5-162.4-104.3000112L120 L134 L138 L146 L149 D150 Y153 E163 V164 I165 Y181L120-F161 HydrophobicContact CD1-CE2 3.75Å; L120-F161 HydrophobicContact CD1-CZ 3.95Å; L134-F161 HydrophobicContact CD1-CE1 4.35Å; L134-F161 HydrophobicContact CD1-CZ 3.91Å; L138-F161 HydrophobicContact CD1-CE1 3.68Å; L138-F161 HydrophobicContact CD1-CZ 4.48Å; L138-F161 HydrophobicContact CD2-CE1 3.55Å; L138-F161 HydrophobicContact CD2-CZ 3.84Å; L138-F161 HydrophobicContact CG-CE1 4.22Å; L146-F161 HydrophobicContact CD1-CD1 4.47Å; L146-F161 HydrophobicContact CD1-CE1 4.47Å; L149-F161 HydrophobicContact CD2-CD1 4.38Å; L149-F161 HydrophobicContact CD2-CD2 4.3Å; L149-F161 HydrophobicContact CD2-CE1 4.06Å; L149-F161 HydrophobicContact CD2-CE2 4.01Å; L149-F161 HydrophobicContact CD2-CG 4.48Å; L149-F161 HydrophobicContact CD2-CZ 3.87Å; L149-F161 HydrophobicContact CG-CD2 4.41Å; L149-F161 HydrophobicContact CG-CE2 4.49Å; D150-F161 HydrophobicContact CB-CB 4.18Å; D150-F161 VanDerWaalsContact OD1-CB 3.26Å; D150-F161 WeakPolarHBondContact OD1-CB 3.05Å; D150-F161 PolarHBondContact OD1-N 2.92Å; Y153-F161 AromaticContact CD1-CD2 3.87Å; Y153-F161 HydrophobicContact CD1-CD2 3.87Å; Y153-F161 AromaticContact CD2-CD2 3.6Å; Y153-F161 HydrophobicContact CD2-CD2 3.6Å; Y153-F161 HydrophobicContact CD2-CE2 4.25Å; Y153-F161 AromaticContact CE1-CD2 3.75Å; Y153-F161 HydrophobicContact CE1-CD2 3.75Å; Y153-F161 HydrophobicContact CE1-CE2 4.08Å; Y153-F161 AromaticContact CE2-CD2 3.44Å; Y153-F161 HydrophobicContact CE2-CD2 3.44Å; Y153-F161 VanDerWaalsContact CE2-CD2 3.44Å; Y153-F161 AromaticContact CE2-CE2 3.62Å; Y153-F161 HydrophobicContact CE2-CE2 3.62Å; Y153-F161 HydrophobicContact CG-CB 4.38Å; Y153-F161 AromaticContact CG-CD2 3.8Å; Y153-F161 HydrophobicContact CG-CD2 3.8Å; Y153-F161 AromaticContact CZ-CD2 3.52Å; Y153-F161 AromaticContact CZ-CE2 3.52Å; F161-E163 PolarHBondContact O-N 3.29Å; F161-V164 HydrophobicContact CD2-CB 4.11Å; F161-V164 HydrophobicContact CD2-CG2 3.97Å; F161-V164 HydrophobicContact CE2-CB 4.05Å; F161-V164 HydrophobicContact CE2-CG1 4.05Å; F161-V164 HydrophobicContact CE2-CG2 4.15Å; F161-V164 HydrophobicContact CZ-CG1 4.33Å; F161-V164 WeakPolarHBondContact O-CB 3.3Å; F161-V164 PolarHBondContact O-N 3.34Å; F161-I165 HydrophobicContact CD1-CD1 4.08Å; F161-I165 HydrophobicContact CD1-CG1 4.19Å; F161-I165 HydrophobicContact CE1-CD1 4.23Å; F161-I165 HydrophobicContact CE1-CG1 4.09Å; F161-I165 PolarHBondContact O-N 2.96Å; F161-I165 VanDerWaalsContact O-N 3.15Å; F161-Y181 HydrophobicContact CB-CD2 4.5Å; F161-Y181 HydrophobicContact CB-CE2 3.9Å; F161-Y181 HydrophobicContact CD1-CD2 4.31Å
162F96.7Very high95.4Very high72 Ų7264.4 Ų64.432%0.31632%0.316SS..Hα-helixtrans-48.1-44.9166.4-178.5-95.2000112.3T160 V164 I165 K166 L178 Y181T160-F162 PolarHBondContact O-N 3.15Å; F162-V164 VanDerWaalsContact C-N 3.27Å; F162-V164 PolarHBondContact O-N 3.24Å; F162-I165 PolarHBondContact O-N 2.9Å; F162-K166 HydrophobicContact CE1-CD 4.05Å; F162-K166 WeakPolarHBondContact O-CB 3.48Å; F162-K166 PolarHBondContact O-N 3.09Å; F162-L178 HydrophobicContact CD2-CD2 3.54Å; F162-L178 HydrophobicContact CE2-CD1 4.17Å; F162-L178 HydrophobicContact CE2-CD2 3.4Å; F162-L178 VanDerWaalsContact CE2-CD2 3.4Å; F162-L178 HydrophobicContact CE2-CG 4.4Å; F162-L178 HydrophobicContact CG-CD2 4.46Å; F162-L178 HydrophobicContact CZ-CD2 4.23Å; F162-Y181 HydrophobicContact CB-CD1 4.21Å; F162-Y181 HydrophobicContact CB-CE1 3.52Å; F162-Y181 HydrophobicContact CB-CE2 4.47Å; F162-Y181 AromaticContact CD2-CD1 3.92Å; F162-Y181 HydrophobicContact CD2-CD1 3.92Å; F162-Y181 AromaticContact CD2-CE1 3.82Å; F162-Y181 HydrophobicContact CD2-CE1 3.82Å; F162-Y181 HydrophobicContact CG-CE1 4.14Å
163E95.1Very high95.5Very high67 Ų6763.9 Ų63.931%0.31331%0.314SS..Hα-helixtrans-64.6-31.8179.1-70.9-174.8-144.100113T160 F161 R167T160-E163 PolarHBondContact O-N 3.11Å; F161-E163 PolarHBondContact O-N 3.29Å; E163-R167 WeakPolarHBondContact O-CG 3.49Å; E163-R167 PolarHBondContact O-N 2.81Å; E163-R167 IonicContact OE2-CZ 3.41Å; E163-R167 IonicContact OE2-NH2 2.7Å; E163-R167 PolarHBondContact OE2-NH2 3.35Å
164V95.1Very high95.6Very high2 Ų265.5 Ų65.51%0.01232%0.322CS..Hα-helixtrans-66.2-49.6176-1800000109.2Y153 F161 F162 K166 R167 R168Y153-V164 HydrophobicContact CD1-CG2 3.98Å; Y153-V164 HydrophobicContact CE1-CG2 3.49Å; Y153-V164 VanDerWaalsContact CE1-CG2 3.49Å; F161-V164 HydrophobicContact CD2-CB 4.11Å; F161-V164 HydrophobicContact CD2-CG2 3.97Å; F161-V164 HydrophobicContact CE2-CB 4.05Å; F161-V164 HydrophobicContact CE2-CG1 4.05Å; F161-V164 HydrophobicContact CE2-CG2 4.15Å; F161-V164 HydrophobicContact CZ-CG1 4.33Å; F161-V164 WeakPolarHBondContact O-CB 3.3Å; F161-V164 PolarHBondContact O-N 3.34Å; F162-V164 VanDerWaalsContact C-N 3.27Å; F162-V164 PolarHBondContact O-N 3.24Å; V164-K166 VanDerWaalsContact C-N 3.34Å; V164-K166 PolarHBondContact O-N 2.58Å; V164-R167 PolarHBondContact O-N 3.23Å; V164-R168 HydrophobicContact CG1-CG 4.21Å; V164-R168 VanDerWaalsContact O-CB 3.29Å; V164-R168 WeakPolarHBondContact O-CB 3.23Å; V164-R168 VanDerWaalsContact O-CG 3.24Å; V164-R168 WeakPolarHBondContact O-CG 3.45Å; V164-R168 PolarHBondContact O-N 3.46Å; V164-R168 VanDerWaalsContact O-N 3.11Å
165I97Very high95.7Very high0 Ų065.2 Ų65.20%032%0.323CS..Hα-helixtrans-57.3-51.5177.3-61170.5000109.4L134 L138 F161 F162 R167 R168 S169 L177 L178 Y181L134-I165 HydrophobicContact CD2-CG1 4.36Å; L138-I165 HydrophobicContact CD1-CD1 4Å; L138-I165 HydrophobicContact CD1-CG1 4.18Å; F161-I165 HydrophobicContact CD1-CD1 4.08Å; F161-I165 HydrophobicContact CD1-CG1 4.19Å; F161-I165 HydrophobicContact CE1-CD1 4.23Å; F161-I165 HydrophobicContact CE1-CG1 4.09Å; F161-I165 PolarHBondContact O-N 2.96Å; F161-I165 VanDerWaalsContact O-N 3.15Å; F162-I165 PolarHBondContact O-N 2.9Å; I165-R167 PolarHBondContact O-N 3.2Å; I165-R168 PolarHBondContact O-N 3.41Å; I165-S169 WeakPolarHBondContact CG2-OG 3.43Å; I165-S169 PolarHBondContact O-N 2.93Å; I165-S169 PolarHBondContact O-OG 3.4Å; I165-L177 HydrophobicContact CG2-CB 3.63Å; I165-L177 HydrophobicContact CG2-CD1 4.47Å; I165-L178 HydrophobicContact CB-CD2 4.07Å; I165-L178 HydrophobicContact CG2-CD2 3.65Å; I165-L178 HydrophobicContact CG2-CG 3.99Å; I165-Y181 HydrophobicContact CD1-CD2 4Å; I165-Y181 HydrophobicContact CD1-CG 3.87Å
166K96.3Very high95.8Very high133 Ų13359.2 Ų59.258%0.57830%0.295SS*.Hα-helixtrans-55-34.1-177.7-173.3174.4-179.2175.60113.9F162 V164F162-K166 HydrophobicContact CE1-CD 4.05Å; F162-K166 WeakPolarHBondContact O-CB 3.48Å; F162-K166 PolarHBondContact O-N 3.09Å; V164-K166 VanDerWaalsContact C-N 3.34Å; V164-K166 PolarHBondContact O-N 2.58Å
167R95.1Very high96.1Very high142 Ų14254.5 Ų54.554%0.53627%0.27SS..Hα-helixtrans-90.4-15.9-178.3-62.1174.8-164.2-159.18.7113.7E163 V164 I165E163-R167 WeakPolarHBondContact O-CG 3.49Å; E163-R167 PolarHBondContact O-N 2.81Å; E163-R167 IonicContact OE2-CZ 3.41Å; E163-R167 IonicContact OE2-NH2 2.7Å; E163-R167 PolarHBondContact OE2-NH2 3.35Å; V164-R167 PolarHBondContact O-N 3.23Å; I165-R167 PolarHBondContact O-N 3.2Å
168R95Very high96.4Very high64 Ų6453.7 Ų53.724%0.24227%0.266CS..Hα-helixtrans-114.1-13.4-169.4-66.9-57.190.885.6-5.1114.8S126 I129 L134 V164 I165S126-R168 WeakPolarHBondContact O-CD 3.48Å; S126-R168 PolarHBondContact O-NH1 3.14Å; I129-R168 HydrophobicContact CG2-CB 4.4Å; I129-R168 HydrophobicContact CG2-CG 3.75Å; I129-R168 WeakPolarHBondContact O-CD 3.41Å; L134-R168 HydrophobicContact CD2-CB 3.86Å; V164-R168 HydrophobicContact CG1-CG 4.21Å; V164-R168 VanDerWaalsContact O-CB 3.29Å; V164-R168 WeakPolarHBondContact O-CB 3.23Å; V164-R168 VanDerWaalsContact O-CG 3.24Å; V164-R168 WeakPolarHBondContact O-CG 3.45Å; V164-R168 PolarHBondContact O-N 3.46Å; V164-R168 VanDerWaalsContact O-N 3.11Å; I165-R168 PolarHBondContact O-N 3.41Å
169S96.2Very high96.6Very high11 Ų1146.7 Ų46.78%0.07724%0.238CC..  trans-125.7156.1176.258.10000112E131 I165 H174E131-S169 WeakPolarHBondContact OE2-CA 3.4Å; E131-S169 VanDerWaalsContact OE2-CB 3.29Å; E131-S169 WeakPolarHBondContact OE2-CB 3.3Å; I165-S169 WeakPolarHBondContact CG2-OG 3.43Å; I165-S169 PolarHBondContact O-N 2.93Å; I165-S169 PolarHBondContact O-OG 3.4Å; S169-H174 PolarHBondContact O-ND1 3.43Å; S169-H174 WeakPolarHBondContact OG-CA 3.43Å; S169-H174 WeakPolarHBondContact OG-CB 3.49Å; S169-H174 PolarHBondContact OG-ND1 3.38Å
170S96.4Very high96.9Very high85 Ų8544.4 Ų44.459%0.59423%0.229SC*.  trans-142.3166.5173.662.30000111.4E131 H174E131-S170 PolarHBondContact OE2-N 3.13Å; S170-H174 VanDerWaalsContact C-CB 3.44Å; S170-H174 PolarHBondContact O-N 3.39Å
171G97Very high97.1Very high51 Ų5143.2 Ų43.253%0.52622%0.22SC..Hα-helixtrans58.3-144.4175.100000113.5M173 H174 D175G171-M173 PolarHBondContact O-N 3.27Å; G171-H174 VanDerWaalsContact O-CB 3.25Å; G171-H174 WeakPolarHBondContact O-CB 3.29Å; G171-H174 PolarHBondContact O-N 3.03Å; G171-H174 VanDerWaalsContact O-N 3.11Å; G171-D175 PolarHBondContact O-N 2.67Å
172Q97.3Very high97.2Very high72 Ų7244.6 Ų44.634%0.33623%0.229SC..Hα-helixtrans-60.6-42.5-171.4-168.3178.484.300113.5I37 F75 T79 H174 D175 L176I37-Q172 HydrophobicContact CD1-CG 3.2Å; F75-Q172 PolarHBondContact O-OE1 2.96Å; T79-Q172 PolarHBondContact OG1-OE1 3.22Å; Q172-H174 VanDerWaalsContact C-N 3.27Å; Q172-H174 PolarHBondContact O-N 3.07Å; Q172-D175 PolarHBondContact O-N 3.21Å; Q172-L176 WeakPolarHBondContact O-CG 3.42Å; Q172-L176 PolarHBondContact O-N 3.09Å; Q172-L176 VanDerWaalsContact O-N 3.14Å
173M98.2Very high97.2Very high15 Ų1541.2 Ų41.27%0.07421%0.214CC..Hα-helixtrans-66.9-30.8179.5-173.757.162.800111.8P78 F82 E131 G171 L176 L177P78-M173 HydrophobicContact CB-CE 4.3Å; P78-M173 WeakPolarHBondContact O-CE 3.35Å; F82-M173 HydrophobicContact CB-CE 3.99Å; F82-M173 HydrophobicContact CB-SD 4.34Å; F82-M173 HydrophobicContact CD2-SD 4.1Å; F82-M173 HydrophobicContact CG-CE 4.36Å; F82-M173 HydrophobicContact CG-SD 4.05Å; E131-M173 HydrophobicContact CG-CB 4.13Å; E131-M173 HydrophobicContact CG-CG 3.69Å; G171-M173 PolarHBondContact O-N 3.27Å; M173-L176 HydrophobicContact CE-CD1 4.22Å; M173-L176 PolarHBondContact O-N 2.88Å; M173-L176 HydrophobicContact SD-CB 4.45Å; M173-L176 HydrophobicContact SD-CD1 4.22Å; M173-L177 HydrophobicContact CG-CD1 3.97Å; M173-L177 HydrophobicContact CG-CG 4.34Å; M173-L177 WeakPolarHBondContact O-CB 3.49Å; M173-L177 WeakPolarHBondContact O-CD1 3.27Å; M173-L177 WeakPolarHBondContact O-CG 3.11Å; M173-L177 PolarHBondContact O-N 2.89Å; M173-L177 HydrophobicContact SD-CD1 4.5Å; M173-L177 HydrophobicContact SD-CG 4.3Å
174H98.1Very high97.3Very high35 Ų3538.5 Ų38.516%0.16220%0.202CC..Hα-helixtrans-60.7-46.8171.9179.7100.2000112.4S169 S170 G171 Q172 L176 L177 L178S169-H174 PolarHBondContact O-ND1 3.43Å; S169-H174 WeakPolarHBondContact OG-CA 3.43Å; S169-H174 WeakPolarHBondContact OG-CB 3.49Å; S169-H174 PolarHBondContact OG-ND1 3.38Å; S170-H174 VanDerWaalsContact C-CB 3.44Å; S170-H174 PolarHBondContact O-N 3.39Å; G171-H174 VanDerWaalsContact O-CB 3.25Å; G171-H174 WeakPolarHBondContact O-CB 3.29Å; G171-H174 PolarHBondContact O-N 3.03Å; G171-H174 VanDerWaalsContact O-N 3.11Å; Q172-H174 VanDerWaalsContact C-N 3.27Å; Q172-H174 PolarHBondContact O-N 3.07Å; H174-L176 VanDerWaalsContact C-N 3.29Å; H174-L176 PolarHBondContact O-N 3.27Å; H174-L177 PolarHBondContact O-N 3.41Å; H174-L178 WeakPolarHBondContact NE2-CD1 3.48Å; H174-L178 WeakPolarHBondContact O-CB 3.42Å; H174-L178 WeakPolarHBondContact O-CG 3.47Å; H174-L178 PolarHBondContact O-N 3.14Å
175D97.9Very high97.4Very high87 Ų8740.4 Ų40.447%0.46521%0.214SC..Hα-helixtrans-63.3-38.4179.9-60.3-23.5000111.3G171 Q172 S179G171-D175 PolarHBondContact O-N 2.67Å; Q172-D175 PolarHBondContact O-N 3.21Å; D175-S179 VanDerWaalsContact O-CB 3.27Å; D175-S179 WeakPolarHBondContact O-CB 3.49Å; D175-S179 PolarHBondContact O-N 3.03Å; D175-S179 PolarHBondContact O-OG 3.26Å
176L98.7Very high97.4Very high1 Ų143.3 Ų43.31%0.00523%0.229CC..Hα-helixtrans-64-47.4174.6-66.3177.2000112.3I37 T41 T79 F82 L83 Q172 M173 H174 S179 L180I37-L176 HydrophobicContact CD1-CD1 4.39Å; I37-L176 HydrophobicContact CD1-CD2 3.89Å; I37-L176 HydrophobicContact CD1-CG 4.23Å; I37-L176 HydrophobicContact CG1-CD2 4.07Å; T41-L176 HydrophobicContact CG2-CD2 3.85Å; T41-L176 WeakPolarHBondContact OG1-CD2 3.34Å; T79-L176 HydrophobicContact CG2-CD1 3.74Å; F82-L176 HydrophobicContact CD1-CB 4.01Å; F82-L176 HydrophobicContact CD1-CD1 3.99Å; F82-L176 HydrophobicContact CD1-CG 4.5Å; F82-L176 HydrophobicContact CE1-CB 3.76Å; L83-L176 HydrophobicContact CD2-CD2 4.23Å; Q172-L176 WeakPolarHBondContact O-CG 3.42Å; Q172-L176 PolarHBondContact O-N 3.09Å; Q172-L176 VanDerWaalsContact O-N 3.14Å; M173-L176 HydrophobicContact CE-CD1 4.22Å; M173-L176 PolarHBondContact O-N 2.88Å; M173-L176 HydrophobicContact SD-CB 4.45Å; M173-L176 HydrophobicContact SD-CD1 4.22Å; H174-L176 VanDerWaalsContact C-N 3.29Å; H174-L176 PolarHBondContact O-N 3.27Å; L176-S179 PolarHBondContact O-N 3.32Å; L176-L180 PolarHBondContact O-N 3.25Å
177L98.7Very high97.4Very high0 Ų039.8 Ų39.80%021%0.214CC..Hα-helixtrans-66.4-40.5-179.7-68.5167.1000111.6F82 L134 L138 I165 M173 H174 L180 Y181F82-L177 HydrophobicContact CE2-CD2 3.64Å; F82-L177 HydrophobicContact CZ-CD2 3.84Å; L134-L177 HydrophobicContact CD2-CD1 4.12Å; L134-L177 HydrophobicContact CG-CD1 4.35Å; L138-L177 HydrophobicContact CB-CD2 4.2Å; L138-L177 HydrophobicContact CD1-CD2 3.83Å; L138-L177 HydrophobicContact CG-CD2 4.36Å; I165-L177 HydrophobicContact CG2-CB 3.63Å; I165-L177 HydrophobicContact CG2-CD1 4.47Å; M173-L177 HydrophobicContact CG-CD1 3.97Å; M173-L177 HydrophobicContact CG-CG 4.34Å; M173-L177 WeakPolarHBondContact O-CB 3.49Å; M173-L177 WeakPolarHBondContact O-CD1 3.27Å; M173-L177 WeakPolarHBondContact O-CG 3.11Å; M173-L177 PolarHBondContact O-N 2.89Å; M173-L177 HydrophobicContact SD-CD1 4.5Å; M173-L177 HydrophobicContact SD-CG 4.3Å; H174-L177 PolarHBondContact O-N 3.41Å; L177-L180 PolarHBondContact O-N 3.27Å; L177-Y181 VanDerWaalsContact O-CB 3.29Å; L177-Y181 WeakPolarHBondContact O-CB 3.43Å; L177-Y181 PolarHBondContact O-N 3.35Å
178L98.2Very high97.5Very high29 Ų2934.3 Ų34.315%0.15220%0.197CC..Hα-helixtrans-68-36.5175.1-75.2-170.9000112.4F162 I165 H174 Y181 T182F162-L178 HydrophobicContact CD2-CD2 3.54Å; F162-L178 HydrophobicContact CE2-CD1 4.17Å; F162-L178 HydrophobicContact CE2-CD2 3.4Å; F162-L178 VanDerWaalsContact CE2-CD2 3.4Å; F162-L178 HydrophobicContact CE2-CG 4.4Å; F162-L178 HydrophobicContact CG-CD2 4.46Å; F162-L178 HydrophobicContact CZ-CD2 4.23Å; I165-L178 HydrophobicContact CB-CD2 4.07Å; I165-L178 HydrophobicContact CG2-CD2 3.65Å; I165-L178 HydrophobicContact CG2-CG 3.99Å; H174-L178 WeakPolarHBondContact NE2-CD1 3.48Å; H174-L178 WeakPolarHBondContact O-CB 3.42Å; H174-L178 WeakPolarHBondContact O-CG 3.47Å; H174-L178 PolarHBondContact O-N 3.14Å; L178-Y181 PolarHBondContact O-N 2.91Å; L178-T182 WeakPolarHBondContact O-CB 3.44Å; L178-T182 PolarHBondContact O-N 3.48Å; L178-T182 PolarHBondContact O-OG1 2.94Å
179S98.4Very high97.7Very high23 Ų2334.5 Ų34.516%0.16120%0.201CC..Hα-helixtrans-62-50.1173.6-65.10000110.8D175 L176 Y181 T182 Y183D175-S179 VanDerWaalsContact O-CB 3.27Å; D175-S179 WeakPolarHBondContact O-CB 3.49Å; D175-S179 PolarHBondContact O-N 3.03Å; D175-S179 PolarHBondContact O-OG 3.26Å; L176-S179 PolarHBondContact O-N 3.32Å; S179-Y181 VanDerWaalsContact C-N 3.34Å; S179-Y181 PolarHBondContact O-N 3.05Å; S179-T182 PolarHBondContact O-N 3.32Å; S179-Y183 WeakPolarHBondContact O-CB 3.04Å; S179-Y183 PolarHBondContact O-N 2.98Å
180L98.5Very high97.8Very high1 Ų134.7 Ų34.71%0.00520%0.2CC..Hα-helixtrans-61-42.9177.8-176.664.6000111.8F82 V86 L138 L146 L176 L177 S184F82-L180 HydrophobicContact CE2-CD2 4.41Å; F82-L180 HydrophobicContact CZ-CB 4.42Å; F82-L180 HydrophobicContact CZ-CD2 3.74Å; V86-L180 HydrophobicContact CG1-CD1 4.04Å; V86-L180 HydrophobicContact CG2-CD1 4.33Å; V86-L180 HydrophobicContact CG2-CD2 3.99Å; L138-L180 HydrophobicContact CB-CD2 4.32Å; L146-L180 HydrophobicContact CD2-CD2 4.47Å; L146-L180 HydrophobicContact CD2-CG 4.02Å; L176-L180 PolarHBondContact O-N 3.25Å; L177-L180 PolarHBondContact O-N 3.27Å; L180-S184 WeakPolarHBondContact O-CB 3.43Å; L180-S184 PolarHBondContact O-N 3.48Å; L180-S184 VanDerWaalsContact O-N 3.14Å; L180-S184 PolarHBondContact O-OG 2.68Å
181Y98.5Very high97.9Very high17 Ų1730.9 Ų30.97%0.06717%0.173CC..Hα-helixtrans-62.3-53.4176.8172.8-93.3000112.3D150 F161 F162 I165 L177 L178 S179 Y183 S184 V185D150-Y181 HydrophobicContact CB-CE2 4.07Å; D150-Y181 VanDerWaalsContact CG-OH 3.25Å; D150-Y181 VanDerWaalsContact OD1-CE2 3.27Å; D150-Y181 WeakPolarHBondContact OD1-CE2 3.34Å; D150-Y181 PolarHBondContact OD1-OH 3.14Å; D150-Y181 PolarHBondContact OD2-OH 3.36Å; F161-Y181 HydrophobicContact CB-CD2 4.5Å; F161-Y181 HydrophobicContact CB-CE2 3.9Å; F161-Y181 HydrophobicContact CD1-CD2 4.31Å; F162-Y181 HydrophobicContact CB-CD1 4.21Å; F162-Y181 HydrophobicContact CB-CE1 3.52Å; F162-Y181 HydrophobicContact CB-CE2 4.47Å; F162-Y181 AromaticContact CD2-CD1 3.92Å; F162-Y181 HydrophobicContact CD2-CD1 3.92Å; F162-Y181 AromaticContact CD2-CE1 3.82Å; F162-Y181 HydrophobicContact CD2-CE1 3.82Å; F162-Y181 HydrophobicContact CG-CE1 4.14Å; I165-Y181 HydrophobicContact CD1-CD2 4Å; I165-Y181 HydrophobicContact CD1-CG 3.87Å; L177-Y181 VanDerWaalsContact O-CB 3.29Å; L177-Y181 WeakPolarHBondContact O-CB 3.43Å; L177-Y181 PolarHBondContact O-N 3.35Å; L178-Y181 PolarHBondContact O-N 2.91Å; S179-Y181 VanDerWaalsContact C-N 3.34Å; S179-Y181 PolarHBondContact O-N 3.05Å; Y181-Y183 VanDerWaalsContact C-N 3.34Å; Y181-Y183 PolarHBondContact O-N 2.7Å; Y181-S184 PolarHBondContact O-N 3.45Å; Y181-V185 HydrophobicContact CD2-CG2 3.9Å; Y181-V185 HydrophobicContact CE1-CB 4.39Å; Y181-V185 HydrophobicContact CE1-CG2 4.35Å; Y181-V185 HydrophobicContact CE2-CB 4.38Å; Y181-V185 HydrophobicContact CE2-CG2 3.52Å; Y181-V185 HydrophobicContact CG-CG2 4.49Å; Y181-V185 PolarHBondContact O-N 2.67Å
182T98.3Very high97.9Very high29 Ų2928.5 Ų28.518%0.17815%0.148CC..Hα-helixtrans-64.5-42.4-176.3-49.60000110.2L178 S179 S184 V185 N186 K187 M189L178-T182 WeakPolarHBondContact O-CB 3.44Å; L178-T182 PolarHBondContact O-N 3.48Å; L178-T182 PolarHBondContact O-OG1 2.94Å; S179-T182 PolarHBondContact O-N 3.32Å; T182-S184 PolarHBondContact O-N 3.37Å; T182-V185 PolarHBondContact O-N 3.23Å; T182-N186 CarbonylContact O-C 2.99Å; T182-N186 WeakPolarHBondContact O-CA 3.38Å; T182-N186 PolarHBondContact O-N 3.04Å; T182-K187 PolarHBondContact O-N 3.27Å; T182-M189 HydrophobicContact CG2-CG 4.28Å
183Y98.1Very high98Very high1 Ų127.2 Ų27.20%0.00415%0.145CC..Hα-helixtrans-55.1-37172.7176.7-81.9000112.3I45 D46 R90 P143 S179 Y181 K187 Y190 F191I45-Y183 HydrophobicContact CD1-CD2 3.76Å; I45-Y183 HydrophobicContact CD1-CG 3.76Å; I45-Y183 HydrophobicContact CG1-CD2 3.97Å; I45-Y183 HydrophobicContact CG1-CE2 4.35Å; I45-Y183 HydrophobicContact CG1-CG 4.24Å; D46-Y183 HydrophobicContact CB-CE2 4.21Å; D46-Y183 WeakPolarHBondContact OD1-CE2 3.35Å; D46-Y183 PolarHBondContact OD1-OH 3.44Å; R90-Y183 VanDerWaalsContact NH1-CE1 3.26Å; R90-Y183 VanDerWaalsContact NH2-CE1 3.3Å; P143-Y183 HydrophobicContact CB-CE1 4.4Å; P143-Y183 HydrophobicContact CG-CD1 4.13Å; P143-Y183 HydrophobicContact CG-CE1 3.75Å; S179-Y183 WeakPolarHBondContact O-CB 3.04Å; S179-Y183 PolarHBondContact O-N 2.98Å; Y181-Y183 VanDerWaalsContact C-N 3.34Å; Y181-Y183 PolarHBondContact O-N 2.7Å; Y183-K187 HydrophobicContact CD2-CG 4.31Å; Y183-K187 HydrophobicContact CE2-CD 4.24Å; Y183-K187 HydrophobicContact CE2-CG 4.21Å; Y183-K187 VanDerWaalsContact CZ-CE 3.46Å; Y183-K187 WeakPolarHBondContact O-CA 3.09Å; Y183-K187 VanDerWaalsContact O-CB 3.29Å; Y183-K187 WeakPolarHBondContact O-CB 3.27Å; Y183-K187 WeakPolarHBondContact OH-CE 3.11Å; Y183-K187 PolarHBondContact OH-NZ 2.86Å; Y183-Y190 AromaticContact CD2-CD1 3.83Å; Y183-Y190 HydrophobicContact CD2-CD1 3.83Å; Y183-Y190 HydrophobicContact CD2-CE1 4.08Å; Y183-Y190 HydrophobicContact CD2-CG 4.47Å; Y183-F191 HydrophobicContact CD2-CE2 4.43Å; Y183-F191 HydrophobicContact CD2-CZ 4.34Å; Y183-F191 HydrophobicContact CE2-CE2 4.1Å; Y183-F191 AromaticContact CE2-CZ 3.95Å; Y183-F191 HydrophobicContact CE2-CZ 3.95Å
184S97.1Very high98Very high10 Ų1026.7 Ų26.77%0.0714%0.143CC..Hα-helixtrans-83.5-39.6-175.2-56.50000113.4P143 L180 Y181 T182P143-S184 WeakPolarHBondContact CA-OG 3.39Å; L180-S184 WeakPolarHBondContact O-CB 3.43Å; L180-S184 PolarHBondContact O-N 3.48Å; L180-S184 VanDerWaalsContact O-N 3.14Å; L180-S184 PolarHBondContact O-OG 2.68Å; Y181-S184 PolarHBondContact O-N 3.45Å; T182-S184 PolarHBondContact O-N 3.37Å
185V97Very high97.9Very high42 Ų4225 Ų2526%0.25514%0.135SC..Hα-helixtrans-92.5-29.4-174.7179.80000112.3D150 Y181 T182D150-V185 HydrophobicContact CB-CG2 3.93Å; Y181-V185 HydrophobicContact CD2-CG2 3.9Å; Y181-V185 HydrophobicContact CE1-CB 4.39Å; Y181-V185 HydrophobicContact CE1-CG2 4.35Å; Y181-V185 HydrophobicContact CE2-CB 4.38Å; Y181-V185 HydrophobicContact CE2-CG2 3.52Å; Y181-V185 HydrophobicContact CG-CG2 4.49Å; Y181-V185 PolarHBondContact O-N 2.67Å; T182-V185 PolarHBondContact O-N 3.23Å
186N96.3Very high97.9Very high61 Ų6123.1 Ų23.133%0.32612%0.123SC..  trans-150.773.7178-168.2-20.6000110.4T182 M189 Y190T182-N186 CarbonylContact O-C 2.99Å; T182-N186 WeakPolarHBondContact O-CA 3.38Å; T182-N186 PolarHBondContact O-N 3.04Å; N186-M189 HydrophobicContact CB-CB 3.94Å; N186-M189 WeakPolarHBondContact O-CB 3.49Å; N186-M189 PolarHBondContact O-N 3.44Å; N186-M189 VanDerWaalsContact O-N 3.11Å; N186-M189 VanDerWaalsContact OD1-CB 3.27Å; N186-M189 WeakPolarHBondContact OD1-CB 3.2Å; N186-M189 PolarHBondContact OD1-N 3.18Å; N186-M189 VanDerWaalsContact OD1-N 3.13Å; N186-Y190 PolarHBondContact O-N 3.19Å; N186-Y190 VanDerWaalsContact O-N 3.07Å
187K97.2Very high97.8Very high60 Ų6024.7 Ų24.726%0.26113%0.132SC..Hα-helixtrans-53.6-44.5-178.5-173.1-177.3-65-163.30113.2T182 Y183 M189 Y190 F191T182-K187 PolarHBondContact O-N 3.27Å; Y183-K187 HydrophobicContact CD2-CG 4.31Å; Y183-K187 HydrophobicContact CE2-CD 4.24Å; Y183-K187 HydrophobicContact CE2-CG 4.21Å; Y183-K187 VanDerWaalsContact CZ-CE 3.46Å; Y183-K187 WeakPolarHBondContact O-CA 3.09Å; Y183-K187 VanDerWaalsContact O-CB 3.29Å; Y183-K187 WeakPolarHBondContact O-CB 3.27Å; Y183-K187 WeakPolarHBondContact OH-CE 3.11Å; Y183-K187 PolarHBondContact OH-NZ 2.86Å; K187-M189 VanDerWaalsContact C-N 3.32Å; K187-M189 PolarHBondContact O-N 3.05Å; K187-Y190 WeakPolarHBondContact O-CB 3.46Å; K187-Y190 PolarHBondContact O-N 2.99Å; K187-Y190 VanDerWaalsContact O-N 3.16Å; K187-F191 HydrophobicContact CD-CE2 3.94Å; K187-F191 HydrophobicContact CG-CD2 3.81Å; K187-F191 HydrophobicContact CG-CE2 3.57Å; K187-F191 WeakPolarHBondContact O-CD2 3.45Å; K187-F191 PolarHBondContact O-N 3.42Å; K187-F191 VanDerWaalsContact O-N 3.15Å
188P97.6Very high97.6Very high26 Ų2624.7 Ų24.717%0.16913%0.132CC..Hα-helixtrans-61.4-38.8177.5-26.838000113.2Y190 F191 A192 L223 V224 I227P188-Y190 VanDerWaalsContact C-N 3.35Å; P188-Y190 PolarHBondContact O-N 3.37Å; P188-F191 PolarHBondContact O-N 2.98Å; P188-A192 WeakPolarHBondContact O-CB 3.43Å; P188-A192 PolarHBondContact O-N 3.15Å; P188-L223 HydrophobicContact CB-CB 4.34Å; P188-L223 HydrophobicContact CG-CB 4.14Å; P188-V224 HydrophobicContact CB-CG2 4.34Å; P188-I227 HydrophobicContact CB-CB 4.37Å; P188-I227 HydrophobicContact CB-CG1 3.85Å
189M97.9Very high97.4Very high68 Ų6823.9 Ų23.934%0.33513%0.127SC..Hα-helixtrans-63.7-38.5174.5179.1177-157.300112.8T182 N186 K187 A192 T193 I227 L231T182-M189 HydrophobicContact CG2-CG 4.28Å; N186-M189 HydrophobicContact CB-CB 3.94Å; N186-M189 WeakPolarHBondContact O-CB 3.49Å; N186-M189 PolarHBondContact O-N 3.44Å; N186-M189 VanDerWaalsContact O-N 3.11Å; N186-M189 VanDerWaalsContact OD1-CB 3.27Å; N186-M189 WeakPolarHBondContact OD1-CB 3.2Å; N186-M189 PolarHBondContact OD1-N 3.18Å; N186-M189 VanDerWaalsContact OD1-N 3.13Å; K187-M189 VanDerWaalsContact C-N 3.32Å; K187-M189 PolarHBondContact O-N 3.05Å; M189-A192 PolarHBondContact O-N 3.32Å; M189-T193 WeakPolarHBondContact O-CB 3.49Å; M189-T193 PolarHBondContact O-N 2.94Å; M189-T193 PolarHBondContact O-OG1 3.49Å; M189-I227 HydrophobicContact CB-CG2 4Å; M189-L231 HydrophobicContact CE-CD1 4.4Å; M189-L231 HydrophobicContact CE-CD2 3.89Å; M189-L231 HydrophobicContact CG-CD1 3.97Å
190Y98.5Very high97.1Very high16 Ų1627 Ų276%0.06314%0.139CC..Hα-helixtrans-58.3-51.5175.1176.1-100.7000111.1S42 I45 Y183 N186 K187 P188 T193 L194S42-Y190 WeakPolarHBondContact CA-OH 3.29Å; S42-Y190 VanDerWaalsContact CB-OH 3.26Å; S42-Y190 WeakPolarHBondContact CB-OH 3.42Å; I45-Y190 HydrophobicContact CD1-CE1 3.96Å; I45-Y190 HydrophobicContact CD1-CE2 4.2Å; Y183-Y190 AromaticContact CD2-CD1 3.83Å; Y183-Y190 HydrophobicContact CD2-CD1 3.83Å; Y183-Y190 HydrophobicContact CD2-CE1 4.08Å; Y183-Y190 HydrophobicContact CD2-CG 4.47Å; N186-Y190 PolarHBondContact O-N 3.19Å; N186-Y190 VanDerWaalsContact O-N 3.07Å; K187-Y190 WeakPolarHBondContact O-CB 3.46Å; K187-Y190 PolarHBondContact O-N 2.99Å; K187-Y190 VanDerWaalsContact O-N 3.16Å; P188-Y190 VanDerWaalsContact C-N 3.35Å; P188-Y190 PolarHBondContact O-N 3.37Å; Y190-T193 PolarHBondContact O-N 3.36Å; Y190-L194 PolarHBondContact O-N 3.04Å
191F98.5Very high96.7Very high5 Ų531.1 Ų31.12%0.02216%0.157CC..Hα-helixtrans-71.3-34-179.8-71.8-60.7000113.3Y183 K187 P188 T193 L194 F195 R216 V224Y183-F191 HydrophobicContact CD2-CE2 4.43Å; Y183-F191 HydrophobicContact CD2-CZ 4.34Å; Y183-F191 HydrophobicContact CE2-CE2 4.1Å; Y183-F191 AromaticContact CE2-CZ 3.95Å; Y183-F191 HydrophobicContact CE2-CZ 3.95Å; K187-F191 HydrophobicContact CD-CE2 3.94Å; K187-F191 HydrophobicContact CG-CD2 3.81Å; K187-F191 HydrophobicContact CG-CE2 3.57Å; K187-F191 WeakPolarHBondContact O-CD2 3.45Å; K187-F191 PolarHBondContact O-N 3.42Å; K187-F191 VanDerWaalsContact O-N 3.15Å; P188-F191 PolarHBondContact O-N 2.98Å; F191-T193 VanDerWaalsContact C-N 3.28Å; F191-T193 PolarHBondContact O-N 3.35Å; F191-L194 HydrophobicContact CD1-CD2 4.06Å; F191-L194 HydrophobicContact CE1-CD2 4.44Å; F191-L194 PolarHBondContact O-N 3.16Å; F191-F195 HydrophobicContact CB-CE2 4.38Å; F191-F195 WeakPolarHBondContact O-CB 3.49Å; F191-F195 WeakPolarHBondContact O-CD2 3.46Å; F191-F195 VanDerWaalsContact O-CG 3.29Å; F191-F195 WeakPolarHBondContact O-CG 3.47Å; F191-F195 PolarHBondContact O-N 3.42Å; F191-R216 HydrophobicContact CD1-CG 4.32Å; F191-R216 HydrophobicContact CG-CG 4.41Å; F191-V224 HydrophobicContact CB-CG1 3.95Å; F191-V224 HydrophobicContact CB-CG2 3.82Å
192A98.2Very high95.8Very high0 Ų039.6 Ų39.60%020%0.197CC..Hα-helixtrans-59.9-42.9173.300000111P188 M189 F195 H196 V224 I227 Y228 L231P188-A192 WeakPolarHBondContact O-CB 3.43Å; P188-A192 PolarHBondContact O-N 3.15Å; M189-A192 PolarHBondContact O-N 3.32Å; A192-F195 PolarHBondContact O-N 3.28Å; A192-H196 PolarHBondContact O-N 2.79Å; A192-V224 HydrophobicContact CB-CG1 4.04Å; A192-I227 HydrophobicContact CB-CG2 4.12Å; A192-Y228 HydrophobicContact CB-CD2 4.1Å; A192-Y228 WeakPolarHBondContact O-CD2 3.49Å; A192-Y228 WeakPolarHBondContact O-CE2 3.4Å; A192-L231 HydrophobicContact CB-CD1 4.19Å
193T97.8Very high95.2Very high46 Ų4646.6 Ų46.628%0.28223%0.233SC..Hα-helixtrans-65.9-42.6175.9-52.90000112.1M189 Y190 F191 F195 H196 D197 Y232M189-T193 WeakPolarHBondContact O-CB 3.49Å; M189-T193 PolarHBondContact O-N 2.94Å; M189-T193 PolarHBondContact O-OG1 3.49Å; Y190-T193 PolarHBondContact O-N 3.36Å; F191-T193 VanDerWaalsContact C-N 3.28Å; F191-T193 PolarHBondContact O-N 3.35Å; T193-F195 PolarHBondContact O-N 2.98Å; T193-H196 PolarHBondContact O-N 3.16Å; T193-D197 PolarHBondContact O-N 2.65Å; T193-D197 VanDerWaalsContact O-N 3.07Å; T193-Y232 WeakPolarHBondContact CA-OH 3.25Å
194L98Very high94.7Very high3 Ų347.1 Ų47.12%0.01624%0.236CC..Hα-helixtrans-60.4-45.1174.5-179.568.4000111.7Q38 S42 Y190 F191 D197 V198 L212Q38-L194 HydrophobicContact CG-CD1 3.9Å; S42-L194 WeakPolarHBondContact OG-CD2 3.39Å; Y190-L194 PolarHBondContact O-N 3.04Å; F191-L194 HydrophobicContact CD1-CD2 4.06Å; F191-L194 HydrophobicContact CE1-CD2 4.44Å; F191-L194 PolarHBondContact O-N 3.16Å; L194-D197 PolarHBondContact O-N 3.38Å; L194-V198 HydrophobicContact CD1-CG1 4.07Å; L194-V198 HydrophobicContact CG-CG1 4.3Å; L194-V198 VanDerWaalsContact O-CG1 3.3Å; L194-V198 WeakPolarHBondContact O-CG1 3.29Å; L194-V198 WeakPolarHBondContact O-CG2 3.43Å; L194-V198 PolarHBondContact O-N 2.8Å; L194-L212 HydrophobicContact CD2-CD1 4.31Å; L194-L212 HydrophobicContact CG-CD1 4.48Å
195F97.4Very high94.3Very high0 Ų049.2 Ų49.20%025%0.25CC..Hα-helixtrans-63.5-41.7179.3-70.2-30.2000112.4F191 A192 T193 D197 V198 L199 L212 L213 R216 L221 V224 Y228 L236F191-F195 HydrophobicContact CB-CE2 4.38Å; F191-F195 WeakPolarHBondContact O-CB 3.49Å; F191-F195 WeakPolarHBondContact O-CD2 3.46Å; F191-F195 VanDerWaalsContact O-CG 3.29Å; F191-F195 WeakPolarHBondContact O-CG 3.47Å; F191-F195 PolarHBondContact O-N 3.42Å; A192-F195 PolarHBondContact O-N 3.28Å; T193-F195 PolarHBondContact O-N 2.98Å; F195-D197 VanDerWaalsContact C-N 3.3Å; F195-D197 PolarHBondContact O-N 3.34Å; F195-V198 HydrophobicContact CD1-CG2 4.37Å; F195-V198 WeakPolarHBondContact O-CG2 3.4Å; F195-V198 PolarHBondContact O-N 3.42Å; F195-L199 VanDerWaalsContact O-CB 3.31Å; F195-L199 WeakPolarHBondContact O-CB 3.42Å; F195-L199 WeakPolarHBondContact O-CG 3.24Å; F195-L199 PolarHBondContact O-N 2.95Å; F195-L212 HydrophobicContact CE1-CB 3.97Å; F195-L212 WeakPolarHBondContact CE1-O 3.35Å; F195-L213 HydrophobicContact CD1-CD2 3.92Å; F195-L213 HydrophobicContact CD1-CG 4.39Å; F195-L213 HydrophobicContact CD2-CD2 4.07Å; F195-L213 HydrophobicContact CE1-CD2 3.78Å; F195-L213 HydrophobicContact CE1-CG 4.12Å; F195-L213 HydrophobicContact CE2-CD2 3.92Å; F195-L213 HydrophobicContact CG-CD2 4.08Å; F195-L213 HydrophobicContact CZ-CD2 3.76Å; F195-L213 HydrophobicContact CZ-CG 4.43Å; F195-R216 HydrophobicContact CE1-CG 4.46Å; F195-R216 HydrophobicContact CE2-CB 4.46Å; F195-R216 HydrophobicContact CE2-CG 4.16Å; F195-R216 HydrophobicContact CZ-CB 4Å; F195-R216 HydrophobicContact CZ-CG 3.51Å; F195-L221 HydrophobicContact CD2-CD1 4.43Å; F195-L221 HydrophobicContact CE2-CD1 3.53Å; F195-L221 HydrophobicContact CZ-CD1 4.11Å; F195-V224 HydrophobicContact CD2-CG1 3.57Å; F195-V224 HydrophobicContact CE2-CB 4.46Å; F195-V224 HydrophobicContact CE2-CG1 3.67Å; F195-Y228 HydrophobicContact CB-CD2 4.45Å; F195-Y228 HydrophobicContact CB-CE2 4.22Å; F195-L236 HydrophobicContact CB-CD1 3.97Å; F195-L236 HydrophobicContact CD2-CD2 3.78Å; F195-L236 HydrophobicContact CE2-CD2 4.36Å; F195-L236 HydrophobicContact CG-CD2 4.46Å
196H97Very high93.8Very high48 Ų4849.7 Ų49.722%0.22225%0.253CS..Hα-helixtrans-59.6-46.5175.5179-87.1000110.3A192 T193 L199 H200 Y228 Y232A192-H196 PolarHBondContact O-N 2.79Å; T193-H196 PolarHBondContact O-N 3.16Å; H196-L199 PolarHBondContact O-N 2.58Å; H196-H200 AromaticContact CD2-CE1 3.7Å; H196-H200 AromaticContact CD2-ND1 3.66Å; H196-H200 AromaticContact CG-ND1 3.93Å; H196-H200 AromaticContact NE2-CE1 3.85Å; H196-H200 AromaticContact NE2-ND1 3.74Å; H196-H200 WeakPolarHBondContact O-CB 3.28Å; H196-H200 PolarHBondContact O-N 3.29Å; H196-H200 PolarHBondContact O-ND1 2.96Å; H196-Y228 HydrophobicContact CB-CE2 3.68Å; H196-Y232 HydrophobicContact CB-CD2 4.12Å; H196-Y232 HydrophobicContact CB-CE1 3.98Å; H196-Y232 HydrophobicContact CB-CE2 3.55Å; H196-Y232 VanDerWaalsContact CB-CZ 3.48Å; H196-Y232 AromaticContact CD2-CD1 3.29Å; H196-Y232 WeakPolarHBondContact CD2-CD1 3.19Å; H196-Y232 AromaticContact CD2-CD2 3.95Å; H196-Y232 AromaticContact CD2-CE1 3.44Å; H196-Y232 VanDerWaalsContact CD2-CE1 3.44Å; H196-Y232 WeakPolarHBondContact CD2-CE1 3.24Å; H196-Y232 AromaticContact CD2-CG 3.58Å; H196-Y232 AromaticContact CD2-CZ 3.85Å; H196-Y232 AromaticContact CE1-CE1 3.94Å; H196-Y232 AromaticContact CG-CD1 3.83Å; H196-Y232 AromaticContact CG-CE1 3.45Å; H196-Y232 VanDerWaalsContact CG-CE1 3.45Å; H196-Y232 AromaticContact CG-CE2 3.92Å; H196-Y232 AromaticContact CG-CZ 3.52Å; H196-Y232 AromaticContact ND1-CE1 3.78Å; H196-Y232 AromaticContact NE2-CD1 3.58Å; H196-Y232 AromaticContact NE2-CE1 3.76Å
197D96.2Very high93.6Very high33 Ų3349 Ų4918%0.17625%0.249CC..Hα-helixtrans-62.9-46.2179.1-82.1-4.1000113.3Q38 T193 L194 F195 L199 H200 K201Q38-D197 PolarHBondContact NE2-OD2 3.19Å; Q38-D197 PolarHBondContact OE1-OD2 3.15Å; T193-D197 PolarHBondContact O-N 2.65Å; T193-D197 VanDerWaalsContact O-N 3.07Å; L194-D197 PolarHBondContact O-N 3.38Å; F195-D197 VanDerWaalsContact C-N 3.3Å; F195-D197 PolarHBondContact O-N 3.34Å; D197-L199 VanDerWaalsContact C-N 3.3Å; D197-L199 PolarHBondContact O-N 2.88Å; D197-H200 PolarHBondContact O-N 2.76Å; D197-K201 HydrophobicContact CB-CD 4.13Å; D197-K201 VanDerWaalsContact CG-CE 3.42Å; D197-K201 VanDerWaalsContact O-CB 3.22Å; D197-K201 WeakPolarHBondContact O-CB 3.35Å; D197-K201 WeakPolarHBondContact O-CG 3.26Å; D197-K201 PolarHBondContact O-N 3.03Å; D197-K201 IonicContact OD1-NZ 2.76Å; D197-K201 IonicContact OD2-NZ 3.03Å; D197-K201 PolarHBondContact OD2-NZ 3.11Å
198V95.2Very high93.4Very high0 Ų046.7 Ų46.70%024%0.24CC..Hα-helixtrans-72.6-25.4-177.6-56.20000112.4I39 L194 F195 I204 A209 L212 K243I39-V198 HydrophobicContact CD1-CG1 4.37Å; L194-V198 HydrophobicContact CD1-CG1 4.07Å; L194-V198 HydrophobicContact CG-CG1 4.3Å; L194-V198 VanDerWaalsContact O-CG1 3.3Å; L194-V198 WeakPolarHBondContact O-CG1 3.29Å; L194-V198 WeakPolarHBondContact O-CG2 3.43Å; L194-V198 PolarHBondContact O-N 2.8Å; F195-V198 HydrophobicContact CD1-CG2 4.37Å; F195-V198 WeakPolarHBondContact O-CG2 3.4Å; F195-V198 PolarHBondContact O-N 3.42Å; V198-I204 HydrophobicContact CB-CD1 4.22Å; V198-I204 HydrophobicContact CB-CG2 3.93Å; V198-I204 HydrophobicContact CG1-CD1 3.93Å; V198-I204 HydrophobicContact CG1-CG2 4.24Å; V198-A209 HydrophobicContact CB-CB 4.13Å; V198-A209 HydrophobicContact CG2-CB 3.86Å; V198-L212 HydrophobicContact CB-CD1 4.39Å; V198-L212 HydrophobicContact CG1-CD1 3.62Å; V198-L212 HydrophobicContact CG2-CD1 4.43Å; V198-K243 PolarHBondContact O-NZ 3.15Å
199L94.4Very high93.3Very high12 Ų1245.5 Ų45.56%0.06323%0.232CC..Hα-helixtrans-78-39.4175.5-69.1172.3000111.7F195 H196 D197 A209 L236 D239 V240 K243 Y244F195-L199 VanDerWaalsContact O-CB 3.31Å; F195-L199 WeakPolarHBondContact O-CB 3.42Å; F195-L199 WeakPolarHBondContact O-CG 3.24Å; F195-L199 PolarHBondContact O-N 2.95Å; H196-L199 PolarHBondContact O-N 2.58Å; D197-L199 VanDerWaalsContact C-N 3.3Å; D197-L199 PolarHBondContact O-N 2.88Å; L199-A209 HydrophobicContact CD2-CB 4.39Å; L199-L236 HydrophobicContact CD1-CD1 3.45Å; L199-L236 VanDerWaalsContact CD1-CD1 3.45Å; L199-D239 HydrophobicContact CD1-CB 3.98Å; L199-V240 HydrophobicContact CD1-CG2 3.98Å; L199-V240 HydrophobicContact CD2-CG2 4.14Å; L199-K243 HydrophobicContact CD2-CB 4.2Å; L199-K243 HydrophobicContact CD2-CD 4.16Å; L199-K243 HydrophobicContact CD2-CG 4.48Å; L199-K243 WeakPolarHBondContact O-CD 3.26Å; L199-K243 PolarHBondContact O-NZ 3.14Å; L199-Y244 HydrophobicContact CD2-CE2 4.04Å
200H92.3Very high93Very high89 Ų8942.2 Ų42.241%0.41222%0.216SC..Hα-helixtrans-96.4-25.4-172.7-64.387.7000115.2H196 D197 D239H196-H200 AromaticContact CD2-CE1 3.7Å; H196-H200 AromaticContact CD2-ND1 3.66Å; H196-H200 AromaticContact CG-ND1 3.93Å; H196-H200 AromaticContact NE2-CE1 3.85Å; H196-H200 AromaticContact NE2-ND1 3.74Å; H196-H200 WeakPolarHBondContact O-CB 3.28Å; H196-H200 PolarHBondContact O-N 3.29Å; H196-H200 PolarHBondContact O-ND1 2.96Å; D197-H200 PolarHBondContact O-N 2.76Å; H200-D239 IonicContact CE1-OD2 2.9Å; H200-D239 PolarHBondContact CE1-OD2 2.98Å; H200-D239 IonicContact NE2-OD2 2.73Å
201K90Very high92.9Very high88 Ų8842.2 Ų42.238%0.38322%0.216SC..  trans-73.9130.8178.4-66.9172.6-172.5170.10110.9D197 L203 I204D197-K201 HydrophobicContact CB-CD 4.13Å; D197-K201 VanDerWaalsContact CG-CE 3.42Å; D197-K201 VanDerWaalsContact O-CB 3.22Å; D197-K201 WeakPolarHBondContact O-CB 3.35Å; D197-K201 WeakPolarHBondContact O-CG 3.26Å; D197-K201 PolarHBondContact O-N 3.03Å; D197-K201 IonicContact OD1-NZ 2.76Å; D197-K201 IonicContact OD2-NZ 3.03Å; D197-K201 PolarHBondContact OD2-NZ 3.11Å; K201-L203 PolarHBondContact O-N 3.25Å; K201-I204 HydrophobicContact CB-CD1 4.02Å; K201-I204 HydrophobicContact CB-CG1 4.29Å; K201-I204 HydrophobicContact CD-CD1 4.05Å; K201-I204 PolarHBondContact O-N 3Å
202E78.7Confident92.7Very high194 Ų19442.2 Ų42.291%0.90722%0.216SC*.THydrogen-bonded Turntrans-67.9-30.7-175.3-64.6-174.7164.900113.9I204E202-I204 VanDerWaalsContact C-N 3.29Å; E202-I204 PolarHBondContact O-N 2.97Å
203L85.1Confident92.5Very high177 Ų17742.5 Ų42.593%0.92722%0.218SC*.THydrogen-bonded Turntrans-81.9-4.2-175.6-62.7177.4000113.9K201K201-L203 PolarHBondContact O-N 3.25Å
204I88.2Confident92.3Very high12 Ų1241.2 Ų41.26%0.06221%0.209CC..SBendtrans-94.7123.1-179.7-61.8175.7000109.4I39 V198 K201 E202 T208I39-I204 HydrophobicContact CD1-CD1 4.34Å; I39-I204 HydrophobicContact CD1-CG2 4.28Å; V198-I204 HydrophobicContact CB-CD1 4.22Å; V198-I204 HydrophobicContact CB-CG2 3.93Å; V198-I204 HydrophobicContact CG1-CD1 3.93Å; V198-I204 HydrophobicContact CG1-CG2 4.24Å; K201-I204 HydrophobicContact CB-CD1 4.02Å; K201-I204 HydrophobicContact CB-CG1 4.29Å; K201-I204 HydrophobicContact CD-CD1 4.05Å; K201-I204 PolarHBondContact O-N 3Å; E202-I204 VanDerWaalsContact C-N 3.29Å; E202-I204 PolarHBondContact O-N 2.97Å; I204-T208 HydrophobicContact CG2-CG2 3.95Å
205S88.5Confident92.1Very high53 Ų5341.7 Ų41.737%0.37121%0.211SC..  trans-63.3145.8-176.891.70000111.4L207 T208 A209S205-L207 PolarHBondContact O-N 2.97Å; S205-L207 PolarHBondContact OG-N 3.24Å; S205-T208 WeakPolarHBondContact O-CB 3.39Å; S205-T208 PolarHBondContact O-N 3.4Å; S205-T208 VanDerWaalsContact O-N 3.1Å; S205-T208 WeakPolarHBondContact OG-CB 3.02Å; S205-T208 PolarHBondContact OG-N 3.18Å; S205-T208 PolarHBondContact OG-OG1 2.88Å; S205-A209 PolarHBondContact O-N 3.2Å; S205-A209 VanDerWaalsContact O-N 3.14Å
206V87.6Confident91.9Very high52 Ų5242.1 Ų42.132%0.31521%0.212SC..Hα-helixtrans-58.2-34175.7175.90000111Q210 K243 Y244V206-Q210 WeakPolarHBondContact O-CB 3.36Å; V206-Q210 PolarHBondContact O-N 3.06Å; V206-Q210 VanDerWaalsContact O-N 3.12Å; V206-K243 HydrophobicContact CG2-CG 4.44Å; V206-Y244 HydrophobicContact CB-CE1 4.39Å; V206-Y244 HydrophobicContact CG1-CD1 3.5Å; V206-Y244 HydrophobicContact CG1-CE1 3.15Å; V206-Y244 PolarHBondContact O-OH 3.42Å
207L90.7Very high91.6Very high47 Ų4741.5 Ų41.525%0.24621%0.213CC..Hα-helixtrans-69.4-38.8176-69.6175.1000112.7L11 S205 Q210 R211L11-L207 HydrophobicContact CB-CD2 3.89Å; L11-L207 HydrophobicContact CD1-CD1 4.41Å; L11-L207 HydrophobicContact CD1-CD2 3.94Å; L11-L207 HydrophobicContact CG-CD2 4.41Å; S205-L207 PolarHBondContact O-N 2.97Å; S205-L207 PolarHBondContact OG-N 3.24Å; L207-Q210 WeakPolarHBondContact O-CB 3.02Å; L207-Q210 PolarHBondContact O-N 3.27Å; L207-R211 WeakPolarHBondContact O-CG 3.33Å; L207-R211 PolarHBondContact O-N 2.61Å
208T94.5Very high91.1Very high12 Ų1248.9 Ų48.97%0.07425%0.247CC..Hα-helixtrans-63.4-47.1177.2-62.30000111.1E27 I39 I204 S205 Q210 R211 L212E27-T208 WeakPolarHBondContact OE2-CA 3.47Å; E27-T208 VanDerWaalsContact OE2-CB 3.23Å; E27-T208 WeakPolarHBondContact OE2-CB 3.38Å; E27-T208 VanDerWaalsContact OE2-CG2 3.27Å; E27-T208 WeakPolarHBondContact OE2-CG2 3.48Å; E27-T208 PolarHBondContact OE2-OG1 2.82Å; I39-T208 HydrophobicContact CD1-CG2 3.5Å; I39-T208 VanDerWaalsContact CD1-CG2 3.5Å; I204-T208 HydrophobicContact CG2-CG2 3.95Å; S205-T208 WeakPolarHBondContact O-CB 3.39Å; S205-T208 PolarHBondContact O-N 3.4Å; S205-T208 VanDerWaalsContact O-N 3.1Å; S205-T208 WeakPolarHBondContact OG-CB 3.02Å; S205-T208 PolarHBondContact OG-N 3.18Å; S205-T208 PolarHBondContact OG-OG1 2.88Å; T208-Q210 VanDerWaalsContact C-N 3.29Å; T208-Q210 PolarHBondContact O-N 3.46Å; T208-R211 PolarHBondContact O-N 3.21Å; T208-L212 HydrophobicContact CG2-CD1 4.17Å; T208-L212 VanDerWaalsContact O-CG 3.3Å; T208-L212 WeakPolarHBondContact O-CG 3.48Å; T208-L212 PolarHBondContact O-N 3.09Å
209A93.7Very high90.9Very high0 Ų053.7 Ų53.70%028%0.276CS..Hα-helixtrans-61.2-39.317600000111.8V198 L199 S205 L213 Y244V198-A209 HydrophobicContact CB-CB 4.13Å; V198-A209 HydrophobicContact CG2-CB 3.86Å; L199-A209 HydrophobicContact CD2-CB 4.39Å; S205-A209 PolarHBondContact O-N 3.2Å; S205-A209 VanDerWaalsContact O-N 3.14Å; A209-L213 WeakPolarHBondContact O-CG 3.38Å; A209-L213 PolarHBondContact O-N 3.27Å; A209-Y244 VanDerWaalsContact CB-OH 3.25Å; A209-Y244 WeakPolarHBondContact CB-OH 3.25Å
210Q93Very high90.8Very high0 Ų054.1 Ų54.10%028%0.279CS..Hα-helixtrans-61.7-49176.6162.1172.4-62.300111.6L12 D15 V206 L207 T208 L212 L213 I214 Y244 L252L12-Q210 VanDerWaalsContact CA-NE2 3.31Å; L12-Q210 HydrophobicContact CD1-CG 3.93Å; D15-Q210 PolarHBondContact OD2-NE2 3.02Å; V206-Q210 WeakPolarHBondContact O-CB 3.36Å; V206-Q210 PolarHBondContact O-N 3.06Å; V206-Q210 VanDerWaalsContact O-N 3.12Å; L207-Q210 WeakPolarHBondContact O-CB 3.02Å; L207-Q210 PolarHBondContact O-N 3.27Å; T208-Q210 VanDerWaalsContact C-N 3.29Å; T208-Q210 PolarHBondContact O-N 3.46Å; Q210-L212 PolarHBondContact O-N 3.15Å; Q210-L213 WeakPolarHBondContact O-CB 3.42Å; Q210-L213 PolarHBondContact O-N 3.46Å; Q210-L213 VanDerWaalsContact O-N 3.17Å; Q210-I214 HydrophobicContact CG-CD1 3.88Å; Q210-I214 WeakPolarHBondContact O-CG1 3.36Å; Q210-I214 PolarHBondContact O-N 3.33Å; Q210-Y244 WeakPolarHBondContact CA-OH 3.28Å; Q210-Y244 HydrophobicContact CB-CE1 4.18Å; Q210-Y244 PolarHBondContact N-OH 3.12Å; Q210-L252 HydrophobicContact CG-CD2 4.15Å
211R95Very high90.9Very high15 Ų1550.2 Ų50.26%0.05726%0.261CS..Hα-helixtrans-65.7-38.9-177.9-71.5168.2176.8-162.5-13.7112.3D15 E26 E27 L207 T208 L213 I214 F215D15-R211 IonicContact OD1-CZ 3.33Å; D15-R211 VanDerWaalsContact OD1-CZ 3.3Å; D15-R211 IonicContact OD1-NE 2.83Å; D15-R211 PolarHBondContact OD1-NE 3.3Å; D15-R211 IonicContact OD1-NH2 2.96Å; D15-R211 PolarHBondContact OD1-NH2 2.77Å; D15-R211 VanDerWaalsContact OD2-CG 3.32Å; D15-R211 WeakPolarHBondContact OD2-CG 3.34Å; D15-R211 IonicContact OD2-NE 4Å; D15-R211 PolarHBondContact OD2-NE 3Å; D15-R211 VanDerWaalsContact OD2-NE 3.15Å; E26-R211 IonicContact OE1-NH1 3.78Å; E26-R211 PolarHBondContact OE1-NH1 2.88Å; E26-R211 IonicContact OE1-NH2 3.62Å; E26-R211 IonicContact OE2-CZ 3.85Å; E26-R211 VanDerWaalsContact OE2-CZ 3.31Å; E26-R211 IonicContact OE2-NH1 2.97Å; E26-R211 PolarHBondContact OE2-NH1 2.97Å; E26-R211 IonicContact OE2-NH2 3.3Å; E26-R211 PolarHBondContact OE2-NH2 3.11Å; E27-R211 HydrophobicContact CG-CB 4.15Å; E27-R211 VanDerWaalsContact OE1-CD 3.28Å; E27-R211 WeakPolarHBondContact OE1-CD 3.35Å; E27-R211 IonicContact OE1-CZ 3.31Å; E27-R211 IonicContact OE1-NE 3.15Å; E27-R211 IonicContact OE1-NH1 2.74Å; E27-R211 PolarHBondContact OE1-NH1 3.06Å; L207-R211 WeakPolarHBondContact O-CG 3.33Å; L207-R211 PolarHBondContact O-N 2.61Å; T208-R211 PolarHBondContact O-N 3.21Å; R211-L213 VanDerWaalsContact C-N 3.27Å; R211-L213 PolarHBondContact O-N 3.06Å; R211-I214 PolarHBondContact O-N 3.24Å; R211-I214 VanDerWaalsContact O-N 3.16Å; R211-F215 HydrophobicContact CB-CE2 4.31Å; R211-F215 HydrophobicContact CB-CZ 4.08Å; R211-F215 WeakPolarHBondContact O-CD1 3.41Å; R211-F215 WeakPolarHBondContact O-CD2 3.49Å; R211-F215 WeakPolarHBondContact O-CG 3.36Å; R211-F215 PolarHBondContact O-N 3.47Å
212L95.6Very high91Very high6 Ų649.5 Ų49.53%0.03126%0.259CS..Hα-helixtrans-61.5-36174.4-67.6174.4000112I39 L43 L194 F195 V198 T208 Q210 F215I39-L212 HydrophobicContact CD1-CD1 4.39Å; I39-L212 HydrophobicContact CG1-CD1 4.49Å; L43-L212 HydrophobicContact CD2-CD2 3.82Å; L194-L212 HydrophobicContact CD2-CD1 4.31Å; L194-L212 HydrophobicContact CG-CD1 4.48Å; F195-L212 HydrophobicContact CE1-CB 3.97Å; F195-L212 WeakPolarHBondContact CE1-O 3.35Å; V198-L212 HydrophobicContact CB-CD1 4.39Å; V198-L212 HydrophobicContact CG1-CD1 3.62Å; V198-L212 HydrophobicContact CG2-CD1 4.43Å; T208-L212 HydrophobicContact CG2-CD1 4.17Å; T208-L212 VanDerWaalsContact O-CG 3.3Å; T208-L212 WeakPolarHBondContact O-CG 3.48Å; T208-L212 PolarHBondContact O-N 3.09Å; Q210-L212 PolarHBondContact O-N 3.15Å; L212-F215 HydrophobicContact CD2-CD2 4.15Å; L212-F215 HydrophobicContact CD2-CE2 4.43Å
213L93.6Very high91.7Very high6 Ų645.2 Ų45.23%0.03124%0.241CC..Hα-helixtrans-66.6-44.6173-69.5165.5000111.5F195 A209 Q210 R211 F215 R216 S217 L221 L236 V240 L256F195-L213 HydrophobicContact CD1-CD2 3.92Å; F195-L213 HydrophobicContact CD1-CG 4.39Å; F195-L213 HydrophobicContact CD2-CD2 4.07Å; F195-L213 HydrophobicContact CE1-CD2 3.78Å; F195-L213 HydrophobicContact CE1-CG 4.12Å; F195-L213 HydrophobicContact CE2-CD2 3.92Å; F195-L213 HydrophobicContact CG-CD2 4.08Å; F195-L213 HydrophobicContact CZ-CD2 3.76Å; F195-L213 HydrophobicContact CZ-CG 4.43Å; A209-L213 WeakPolarHBondContact O-CG 3.38Å; A209-L213 PolarHBondContact O-N 3.27Å; Q210-L213 WeakPolarHBondContact O-CB 3.42Å; Q210-L213 PolarHBondContact O-N 3.46Å; Q210-L213 VanDerWaalsContact O-N 3.17Å; R211-L213 VanDerWaalsContact C-N 3.27Å; R211-L213 PolarHBondContact O-N 3.06Å; L213-F215 VanDerWaalsContact C-N 3.32Å; L213-F215 PolarHBondContact O-N 3.36Å; L213-R216 PolarHBondContact O-N 2.96Å; L213-R216 VanDerWaalsContact O-N 3.08Å; L213-S217 PolarHBondContact O-N 3.35Å; L213-S217 VanDerWaalsContact O-N 3.14Å; L213-L221 HydrophobicContact CD2-CD1 4.34Å; L213-L236 HydrophobicContact CD2-CD2 4.18Å; L213-V240 HydrophobicContact CD1-CG2 3.88Å; L213-L256 HydrophobicContact CD2-CD2 4.26Å
214I92.8Very high92.3Very high19 Ų1936.8 Ų36.810%0.09720%0.197CC..Hα-helixtrans-59.2-42177.4-65.8167.1000111L12 D15 L16 Q210 R211 R216 S217 L255L12-I214 HydrophobicContact CD1-CD1 3.82Å; L12-I214 HydrophobicContact CD1-CG1 4.44Å; D15-I214 HydrophobicContact CB-CD1 3.8Å; L16-I214 HydrophobicContact CD2-CD1 4.21Å; L16-I214 HydrophobicContact CD2-CG1 4.15Å; L16-I214 HydrophobicContact CD2-CG2 4.14Å; L16-I214 HydrophobicContact CG-CD1 4.43Å; Q210-I214 HydrophobicContact CG-CD1 3.88Å; Q210-I214 WeakPolarHBondContact O-CG1 3.36Å; Q210-I214 PolarHBondContact O-N 3.33Å; R211-I214 PolarHBondContact O-N 3.24Å; R211-I214 VanDerWaalsContact O-N 3.16Å; I214-R216 PolarHBondContact O-N 2.78Å; I214-S217 PolarHBondContact O-N 3.02Å; I214-S217 PolarHBondContact O-OG 2.93Å; I214-L255 HydrophobicContact CG1-CD1 4.33Å
215F94.7Very high92.6Very high13 Ų1337 Ų376%0.05720%0.2CC..Hα-helixtrans-62.4-15.2178.6-59.4-23.8000114I20 L23 F24 L43 R211 L212 L213I20-F215 HydrophobicContact CD1-CD1 3.9Å; I20-F215 HydrophobicContact CD1-CE1 4.47Å; I20-F215 HydrophobicContact CG1-CD1 3.72Å; I20-F215 HydrophobicContact CG1-CE1 3.79Å; L23-F215 HydrophobicContact CB-CE1 3.67Å; L23-F215 HydrophobicContact CB-CZ 3.75Å; L23-F215 HydrophobicContact CD1-CE1 4.08Å; F24-F215 HydrophobicContact CD1-CD2 4.11Å; F24-F215 AromaticContact CD1-CE2 3.71Å; F24-F215 HydrophobicContact CD1-CE2 3.71Å; F24-F215 AromaticContact CD1-CZ 3.94Å; F24-F215 HydrophobicContact CD1-CZ 3.94Å; F24-F215 HydrophobicContact CD2-CE1 4.48Å; F24-F215 HydrophobicContact CE1-CD1 4.37Å; F24-F215 AromaticContact CE1-CD2 3.51Å; F24-F215 HydrophobicContact CE1-CD2 3.51Å; F24-F215 HydrophobicContact CE1-CE1 4.46Å; F24-F215 AromaticContact CE1-CE2 3.62Å; F24-F215 HydrophobicContact CE1-CE2 3.62Å; F24-F215 AromaticContact CE1-CG 3.92Å; F24-F215 HydrophobicContact CE1-CG 3.92Å; F24-F215 HydrophobicContact CE1-CZ 4.11Å; F24-F215 HydrophobicContact CE2-CD1 4.3Å; F24-F215 HydrophobicContact CE2-CE1 4.43Å; F24-F215 HydrophobicContact CE2-CG 4.48Å; F24-F215 HydrophobicContact CG-CE2 4.4Å; F24-F215 HydrophobicContact CG-CZ 4.16Å; F24-F215 HydrophobicContact CZ-CB 4.19Å; F24-F215 HydrophobicContact CZ-CD1 4.06Å; F24-F215 AromaticContact CZ-CD2 3.9Å; F24-F215 HydrophobicContact CZ-CD2 3.9Å; F24-F215 HydrophobicContact CZ-CE1 4.4Å; F24-F215 HydrophobicContact CZ-CE2 4.26Å; F24-F215 AromaticContact CZ-CG 3.8Å; F24-F215 HydrophobicContact CZ-CG 3.8Å; L43-F215 HydrophobicContact CD2-CD2 4.1Å; L43-F215 HydrophobicContact CD2-CE2 3.88Å; R211-F215 HydrophobicContact CB-CE2 4.31Å; R211-F215 HydrophobicContact CB-CZ 4.08Å; R211-F215 WeakPolarHBondContact O-CD1 3.41Å; R211-F215 WeakPolarHBondContact O-CD2 3.49Å; R211-F215 WeakPolarHBondContact O-CG 3.36Å; R211-F215 PolarHBondContact O-N 3.47Å; L212-F215 HydrophobicContact CD2-CD2 4.15Å; L212-F215 HydrophobicContact CD2-CE2 4.43Å; L213-F215 VanDerWaalsContact C-N 3.32Å; L213-F215 PolarHBondContact O-N 3.36Å
216R93.7Very high93Very high8 Ų838.3 Ų38.33%0.0320%0.203CC..Hα-helixtrans-106.5-16.6177.8-58.7-48.9-50.2134.7-15.1114D46 F191 F195 L213 I214 E218 V219 D220 L221D46-R216 IonicContact OD2-NH1 3.77Å; F191-R216 HydrophobicContact CD1-CG 4.32Å; F191-R216 HydrophobicContact CG-CG 4.41Å; F195-R216 HydrophobicContact CE1-CG 4.46Å; F195-R216 HydrophobicContact CE2-CB 4.46Å; F195-R216 HydrophobicContact CE2-CG 4.16Å; F195-R216 HydrophobicContact CZ-CB 4Å; F195-R216 HydrophobicContact CZ-CG 3.51Å; L213-R216 PolarHBondContact O-N 2.96Å; L213-R216 VanDerWaalsContact O-N 3.08Å; I214-R216 PolarHBondContact O-N 2.78Å; R216-E218 PolarHBondContact O-N 3.18Å; R216-E218 VanDerWaalsContact O-N 3.13Å; R216-V219 VanDerWaalsContact NH1-CG2 3.31Å; R216-V219 PolarHBondContact O-N 3.04Å; R216-D220 IonicContact CZ-OD1 2.65Å; R216-D220 IonicContact CZ-OD2 4Å; R216-D220 IonicContact NE-OD1 3.77Å; R216-D220 PolarHBondContact NE-OD1 3.34Å; R216-D220 IonicContact NE-OD2 2.98Å; R216-D220 IonicContact NH2-OD1 2.61Å; R216-D220 PolarHBondContact NH2-OD1 3.18Å; R216-D220 IonicContact NH2-OD2 2.67Å; R216-D220 PolarHBondContact NH2-OD2 3.25Å; R216-D220 PolarHBondContact O-N 3.28Å; R216-L221 HydrophobicContact CB-CB 4.19Å; R216-L221 HydrophobicContact CB-CD1 4.13Å; R216-L221 WeakPolarHBondContact O-CB 3.42Å; R216-L221 PolarHBondContact O-N 2.95Å
217S89.5Confident93.4Very high35 Ų3538.3 Ų38.325%0.24520%0.2CC..Hα-helixtrans-59.8-31.1-166.258.70000114.2L213 I214L213-S217 PolarHBondContact O-N 3.35Å; L213-S217 VanDerWaalsContact O-N 3.14Å; I214-S217 PolarHBondContact O-N 3.02Å; I214-S217 PolarHBondContact O-OG 2.93Å
218E86.6Confident93.7Very high188 Ų18836.1 Ų36.188%0.87919%0.189SC*.THydrogen-bonded Turntrans-102.69180-60.5-172.2156.300113.8R216R216-E218 PolarHBondContact O-N 3.18Å; R216-E218 VanDerWaalsContact O-N 3.13Å
219V90.6Very high93.9Very high101 Ų10139.2 Ų39.261%0.61220%0.202SC*.THydrogen-bonded Turntrans-119.2-63.4-171.3-1700000112.6R216R216-V219 VanDerWaalsContact NH1-CG2 3.31Å; R216-V219 PolarHBondContact O-N 3.04Å
220D93.2Very high94Very high22 Ų2243.3 Ų43.312%0.11824%0.236CC..THydrogen-bonded Turntrans-15115-177.968.73.6000114.1R216 Q222 L223 V224R216-D220 IonicContact CZ-OD1 2.65Å; R216-D220 IonicContact CZ-OD2 4Å; R216-D220 IonicContact NE-OD1 3.77Å; R216-D220 PolarHBondContact NE-OD1 3.34Å; R216-D220 IonicContact NE-OD2 2.98Å; R216-D220 IonicContact NH2-OD1 2.61Å; R216-D220 PolarHBondContact NH2-OD1 3.18Å; R216-D220 IonicContact NH2-OD2 2.67Å; R216-D220 PolarHBondContact NH2-OD2 3.25Å; R216-D220 PolarHBondContact O-N 3.28Å; D220-Q222 PolarHBondContact O-N 2.96Å; D220-L223 WeakPolarHBondContact O-CB 3.32Å; D220-L223 PolarHBondContact O-N 3.1Å; D220-V224 PolarHBondContact O-N 3.31Å; D220-V224 WeakPolarHBondContact OD1-CG2 3.39Å
221L93Very high94.2Very high6 Ų646.9 Ų46.93%0.03126%0.255CS..Hα-helixtrans-55.2-33.2-171.5-173.154.9000113.3F195 L213 R216 V224 C225 L236 L256F195-L221 HydrophobicContact CD2-CD1 4.43Å; F195-L221 HydrophobicContact CE2-CD1 3.53Å; F195-L221 HydrophobicContact CZ-CD1 4.11Å; L213-L221 HydrophobicContact CD2-CD1 4.34Å; R216-L221 HydrophobicContact CB-CB 4.19Å; R216-L221 HydrophobicContact CB-CD1 4.13Å; R216-L221 WeakPolarHBondContact O-CB 3.42Å; R216-L221 PolarHBondContact O-N 2.95Å; L221-V224 HydrophobicContact CD1-CB 4.46Å; L221-V224 WeakPolarHBondContact O-CB 3.3Å; L221-V224 PolarHBondContact O-N 3.28Å; L221-C225 PolarHBondContact O-N 2.77Å; L221-C225 PolarHBondContact O-SG 2.92Å; L221-L236 HydrophobicContact CD1-CD2 4.29Å; L221-L256 HydrophobicContact CD1-CD2 3.81Å; L221-L256 HydrophobicContact CD2-CD2 3.64Å; L221-L256 HydrophobicContact CG-CD2 3.74Å
222Q92.3Very high94.3Very high74 Ų7449.5 Ų49.535%0.34627%0.265SS..Hα-helixtrans-63.5-45.6175.3-172.15949.100112.6D220 V224 C225 D226 L256D220-Q222 PolarHBondContact O-N 2.96Å; Q222-V224 PolarHBondContact O-N 3.09Å; Q222-C225 WeakPolarHBondContact O-CB 3.47Å; Q222-C225 PolarHBondContact O-N 2.89Å; Q222-C225 VanDerWaalsContact O-N 3.14Å; Q222-D226 PolarHBondContact NE2-OD1 3.37Å; Q222-D226 PolarHBondContact O-N 3.43Å; Q222-D226 VanDerWaalsContact O-N 3.1Å; Q222-L256 PolarHBondContact OE1-O 2.95Å
223L94.5Very high94.4Very high103 Ų10352.5 Ų52.554%0.53930%0.297SS..Hα-helixtrans-63.9-34.7175.2-69171000111.1P188 D220 D226 I227P188-L223 HydrophobicContact CB-CB 4.34Å; P188-L223 HydrophobicContact CG-CB 4.14Å; D220-L223 WeakPolarHBondContact O-CB 3.32Å; D220-L223 PolarHBondContact O-N 3.1Å; L223-D226 PolarHBondContact O-N 3.06Å; L223-I227 WeakPolarHBondContact O-CG1 3.46Å; L223-I227 PolarHBondContact O-N 2.92Å; L223-I227 VanDerWaalsContact O-N 3.15Å
224V96.8Very high94.4Very high0 Ų054.8 Ų54.80%031%0.312CS..Hα-helixtrans-64.4-41.5174-179.30000110.9P188 F191 A192 F195 D220 L221 Q222 I227 Y228P188-V224 HydrophobicContact CB-CG2 4.34Å; F191-V224 HydrophobicContact CB-CG1 3.95Å; F191-V224 HydrophobicContact CB-CG2 3.82Å; A192-V224 HydrophobicContact CB-CG1 4.04Å; F195-V224 HydrophobicContact CD2-CG1 3.57Å; F195-V224 HydrophobicContact CE2-CB 4.46Å; F195-V224 HydrophobicContact CE2-CG1 3.67Å; D220-V224 PolarHBondContact O-N 3.31Å; D220-V224 WeakPolarHBondContact OD1-CG2 3.39Å; L221-V224 HydrophobicContact CD1-CB 4.46Å; L221-V224 WeakPolarHBondContact O-CB 3.3Å; L221-V224 PolarHBondContact O-N 3.28Å; Q222-V224 PolarHBondContact O-N 3.09Å; V224-I227 PolarHBondContact O-N 3.11Å; V224-Y228 VanDerWaalsContact O-CB 3.25Å; V224-Y228 WeakPolarHBondContact O-CB 3.48Å; V224-Y228 PolarHBondContact O-N 3.3Å
225C95.2Very high94.5Very high18 Ų1859.8 Ų59.812%0.12233%0.33CS..Hα-helixtrans-59-46.8175.3-71.50000112L221 Q222 I227 Y228 E229L221-C225 PolarHBondContact O-N 2.77Å; L221-C225 PolarHBondContact O-SG 2.92Å; Q222-C225 WeakPolarHBondContact O-CB 3.47Å; Q222-C225 PolarHBondContact O-N 2.89Å; Q222-C225 VanDerWaalsContact O-N 3.14Å; C225-I227 PolarHBondContact O-N 3.43Å; C225-Y228 WeakPolarHBondContact O-CB 3Å; C225-Y228 PolarHBondContact O-N 3.38Å; C225-E229 PolarHBondContact O-N 3.35Å
226D95.4Very high94.5Very high79 Ų7959.3 Ų59.342%0.42233%0.328SS..Hα-helixtrans-62.8-43-179-59.5-13.4000111.2Q222 L223 A230Q222-D226 PolarHBondContact NE2-OD1 3.37Å; Q222-D226 PolarHBondContact O-N 3.43Å; Q222-D226 VanDerWaalsContact O-N 3.1Å; L223-D226 PolarHBondContact O-N 3.06Å; D226-A230 PolarHBondContact O-N 3.19Å
227I97.1Very high94.5Very high53 Ų5360 Ų6027%0.27233%0.334SS..Hα-helixtrans-69.6-35175.8-64.6-58.7000111.8P188 M189 A192 L223 V224 C225 A230 L231P188-I227 HydrophobicContact CB-CB 4.37Å; P188-I227 HydrophobicContact CB-CG1 3.85Å; M189-I227 HydrophobicContact CB-CG2 4Å; A192-I227 HydrophobicContact CB-CG2 4.12Å; L223-I227 WeakPolarHBondContact O-CG1 3.46Å; L223-I227 PolarHBondContact O-N 2.92Å; L223-I227 VanDerWaalsContact O-N 3.15Å; V224-I227 PolarHBondContact O-N 3.11Å; C225-I227 PolarHBondContact O-N 3.43Å; I227-A230 PolarHBondContact O-N 2.84Å; I227-L231 HydrophobicContact CG2-CD1 3.63Å; I227-L231 HydrophobicContact CG2-CG 4.12Å; I227-L231 WeakPolarHBondContact O-CB 3.49Å; I227-L231 VanDerWaalsContact O-CG 3.24Å; I227-L231 WeakPolarHBondContact O-CG 3.47Å; I227-L231 PolarHBondContact O-N 2.9Å
228Y97.7Very high94.6Very high0 Ų061.2 Ų61.20%034%0.338CS..Hα-helixtrans-60.6-47.9176.4-168.2-79.7000111.5A192 F195 H196 V224 C225 A230 L231 Y232 T234 L236 D239A192-Y228 HydrophobicContact CB-CD2 4.1Å; A192-Y228 WeakPolarHBondContact O-CD2 3.49Å; A192-Y228 WeakPolarHBondContact O-CE2 3.4Å; F195-Y228 HydrophobicContact CB-CD2 4.45Å; F195-Y228 HydrophobicContact CB-CE2 4.22Å; H196-Y228 HydrophobicContact CB-CE2 3.68Å; V224-Y228 VanDerWaalsContact O-CB 3.25Å; V224-Y228 WeakPolarHBondContact O-CB 3.48Å; V224-Y228 PolarHBondContact O-N 3.3Å; C225-Y228 WeakPolarHBondContact O-CB 3Å; C225-Y228 PolarHBondContact O-N 3.38Å; Y228-A230 VanDerWaalsContact C-N 3.32Å; Y228-A230 PolarHBondContact O-N 3.24Å; Y228-L231 PolarHBondContact O-N 2.86Å; Y228-Y232 AromaticContact CD1-CD2 3.99Å; Y228-Y232 HydrophobicContact CD1-CD2 3.99Å; Y228-Y232 AromaticContact CD2-CD2 3.85Å; Y228-Y232 HydrophobicContact CD2-CD2 3.85Å; Y228-Y232 HydrophobicContact CD2-CE2 4.06Å; Y228-Y232 AromaticContact CE1-CD2 3.97Å; Y228-Y232 HydrophobicContact CE1-CD2 3.97Å; Y228-Y232 HydrophobicContact CE1-CG 4.4Å; Y228-Y232 AromaticContact CE2-CD2 3.83Å; Y228-Y232 HydrophobicContact CE2-CD2 3.83Å; Y228-Y232 HydrophobicContact CE2-CE2 4.07Å; Y228-Y232 AromaticContact CG-CD2 3.93Å; Y228-Y232 HydrophobicContact CG-CD2 3.93Å; Y228-Y232 AromaticContact CZ-CD2 3.9Å; Y228-Y232 WeakPolarHBondContact O-CD2 3.29Å; Y228-Y232 PolarHBondContact O-N 3.16Å; Y228-T234 WeakPolarHBondContact CD1-O 3.29Å; Y228-L236 HydrophobicContact CD1-CB 3.84Å; Y228-L236 HydrophobicContact CD2-CB 4.29Å; Y228-L236 HydrophobicContact CD2-CD1 3.99Å; Y228-L236 HydrophobicContact CE1-CB 4.23Å; Y228-L236 HydrophobicContact CE1-CD1 4.41Å; Y228-L236 HydrophobicContact CE2-CD1 3.74Å; Y228-L236 HydrophobicContact CG-CB 3.88Å; Y228-L236 HydrophobicContact CG-CD1 4.42Å; Y228-D239 VanDerWaalsContact CE1-OD2 3.29Å; Y228-D239 WeakPolarHBondContact CE1-OD2 3.39Å; Y228-D239 VanDerWaalsContact CZ-OD2 3.32Å; Y228-D239 PolarHBondContact OH-OD2 3.15Å
229E96.8Very high94.9Very high77 Ų7752.7 Ų52.736%0.3630%0.298SS..Hα-helixtrans-58.7-45.4176-177.1-177.9-171.800111.1C225 L231 G233 T234 Y235C225-E229 PolarHBondContact O-N 3.35Å; E229-L231 VanDerWaalsContact C-N 3.29Å; E229-L231 PolarHBondContact O-N 2.82Å; E229-G233 WeakPolarHBondContact O-CA 3.37Å; E229-G233 PolarHBondContact O-N 3.41Å; E229-T234 WeakPolarHBondContact CA-O 3.28Å; E229-Y235 HydrophobicContact CG-CD1 4.3Å; E229-Y235 HydrophobicContact CG-CE1 4.08Å; E229-Y235 WeakPolarHBondContact OE1-CE1 3.32Å; E229-Y235 VanDerWaalsContact OE1-CZ 3.25Å; E229-Y235 PolarHBondContact OE1-OH 3.05Å; E229-Y235 VanDerWaalsContact OE2-CE1 3.24Å; E229-Y235 WeakPolarHBondContact OE2-CE1 3.5Å
230A97.5Very high95Very high86 Ų8647.9 Ų47.971%0.71127%0.269SS*.Hα-helixtrans-63.1-32.7179.300000113.5D226 I227 Y228D226-A230 PolarHBondContact O-N 3.19Å; I227-A230 PolarHBondContact O-N 2.84Å; Y228-A230 VanDerWaalsContact C-N 3.32Å; Y228-A230 PolarHBondContact O-N 3.24Å
231L96.9Very high94.8Very high75 Ų7550.7 Ų50.739%0.39328%0.28SS..Hα-helixtrans-85.5-39.9-177.6-69.2172.6000113.5M189 A192 I227 Y228 E229M189-L231 HydrophobicContact CE-CD1 4.4Å; M189-L231 HydrophobicContact CE-CD2 3.89Å; M189-L231 HydrophobicContact CG-CD1 3.97Å; A192-L231 HydrophobicContact CB-CD1 4.19Å; I227-L231 HydrophobicContact CG2-CD1 3.63Å; I227-L231 HydrophobicContact CG2-CG 4.12Å; I227-L231 WeakPolarHBondContact O-CB 3.49Å; I227-L231 VanDerWaalsContact O-CG 3.24Å; I227-L231 WeakPolarHBondContact O-CG 3.47Å; I227-L231 PolarHBondContact O-N 2.9Å; Y228-L231 PolarHBondContact O-N 2.86Å; E229-L231 VanDerWaalsContact C-N 3.29Å; E229-L231 PolarHBondContact O-N 2.82Å
232Y97.4Very high94.5Very high71 Ų7156.4 Ų56.428%0.27831%0.307SS..Hα-helixtrans-111-10.9-169-60.3-68.2000113.7T193 H196 Y228 T234T193-Y232 WeakPolarHBondContact CA-OH 3.25Å; H196-Y232 HydrophobicContact CB-CD2 4.12Å; H196-Y232 HydrophobicContact CB-CE1 3.98Å; H196-Y232 HydrophobicContact CB-CE2 3.55Å; H196-Y232 VanDerWaalsContact CB-CZ 3.48Å; H196-Y232 AromaticContact CD2-CD1 3.29Å; H196-Y232 WeakPolarHBondContact CD2-CD1 3.19Å; H196-Y232 AromaticContact CD2-CD2 3.95Å; H196-Y232 AromaticContact CD2-CE1 3.44Å; H196-Y232 VanDerWaalsContact CD2-CE1 3.44Å; H196-Y232 WeakPolarHBondContact CD2-CE1 3.24Å; H196-Y232 AromaticContact CD2-CG 3.58Å; H196-Y232 AromaticContact CD2-CZ 3.85Å; H196-Y232 AromaticContact CE1-CE1 3.94Å; H196-Y232 AromaticContact CG-CD1 3.83Å; H196-Y232 AromaticContact CG-CE1 3.45Å; H196-Y232 VanDerWaalsContact CG-CE1 3.45Å; H196-Y232 AromaticContact CG-CE2 3.92Å; H196-Y232 AromaticContact CG-CZ 3.52Å; H196-Y232 AromaticContact ND1-CE1 3.78Å; H196-Y232 AromaticContact NE2-CD1 3.58Å; H196-Y232 AromaticContact NE2-CE1 3.76Å; Y228-Y232 AromaticContact CD1-CD2 3.99Å; Y228-Y232 HydrophobicContact CD1-CD2 3.99Å; Y228-Y232 AromaticContact CD2-CD2 3.85Å; Y228-Y232 HydrophobicContact CD2-CD2 3.85Å; Y228-Y232 HydrophobicContact CD2-CE2 4.06Å; Y228-Y232 AromaticContact CE1-CD2 3.97Å; Y228-Y232 HydrophobicContact CE1-CD2 3.97Å; Y228-Y232 HydrophobicContact CE1-CG 4.4Å; Y228-Y232 AromaticContact CE2-CD2 3.83Å; Y228-Y232 HydrophobicContact CE2-CD2 3.83Å; Y228-Y232 HydrophobicContact CE2-CE2 4.07Å; Y228-Y232 AromaticContact CG-CD2 3.93Å; Y228-Y232 HydrophobicContact CG-CD2 3.93Å; Y228-Y232 AromaticContact CZ-CD2 3.9Å; Y228-Y232 WeakPolarHBondContact O-CD2 3.29Å; Y228-Y232 PolarHBondContact O-N 3.16Å; Y232-T234 PolarHBondContact O-N 3.19Å
233G96.1Very high94.2Very high68 Ų6854.8 Ų54.870%0.70130%0.299SS*.SBendtrans68.514.7-179.100000113.8E229E229-G233 WeakPolarHBondContact O-CA 3.37Å; E229-G233 PolarHBondContact O-N 3.41Å
234T95.5Very high93.6Very high54 Ų5450 Ų5033%0.33127%0.274SS..SBendtrans-131.6150.8176.460.40000109.5Y228 E229 Y232 D239Y228-T234 WeakPolarHBondContact CD1-O 3.29Å; E229-T234 WeakPolarHBondContact CA-O 3.28Å; Y232-T234 PolarHBondContact O-N 3.19Å; T234-D239 PolarHBondContact OG1-OD2 2.04Å
235Y94.4Very high92.8Very high124 Ų12456.6 Ų56.649%0.48630%0.303SS..  trans-73.4135.8171.3-63.9-69.9000109.9E229 S237 D238 D239E229-Y235 HydrophobicContact CG-CD1 4.3Å; E229-Y235 HydrophobicContact CG-CE1 4.08Å; E229-Y235 WeakPolarHBondContact OE1-CE1 3.32Å; E229-Y235 VanDerWaalsContact OE1-CZ 3.25Å; E229-Y235 PolarHBondContact OE1-OH 3.05Å; E229-Y235 VanDerWaalsContact OE2-CE1 3.24Å; E229-Y235 WeakPolarHBondContact OE2-CE1 3.5Å; Y235-S237 PolarHBondContact O-N 3.01Å; Y235-S237 VanDerWaalsContact O-N 3.09Å; Y235-D238 WeakPolarHBondContact CD2-OD2 3.5Å; Y235-D238 WeakPolarHBondContact O-CB 3.39Å; Y235-D238 PolarHBondContact O-N 3.32Å; Y235-D239 PolarHBondContact O-N 2.75Å
236L95.1Very high91.9Very high3 Ų357.8 Ų57.82%0.01632%0.318CS..Hα-helixtrans-52-36172.2176.955.9000111.6F195 L199 L213 L221 Y228 D238 D239 V240 L256F195-L236 HydrophobicContact CB-CD1 3.97Å; F195-L236 HydrophobicContact CD2-CD2 3.78Å; F195-L236 HydrophobicContact CE2-CD2 4.36Å; F195-L236 HydrophobicContact CG-CD2 4.46Å; L199-L236 HydrophobicContact CD1-CD1 3.45Å; L199-L236 VanDerWaalsContact CD1-CD1 3.45Å; L213-L236 HydrophobicContact CD2-CD2 4.18Å; L221-L236 HydrophobicContact CD1-CD2 4.29Å; Y228-L236 HydrophobicContact CD1-CB 3.84Å; Y228-L236 HydrophobicContact CD2-CB 4.29Å; Y228-L236 HydrophobicContact CD2-CD1 3.99Å; Y228-L236 HydrophobicContact CE1-CB 4.23Å; Y228-L236 HydrophobicContact CE1-CD1 4.41Å; Y228-L236 HydrophobicContact CE2-CD1 3.74Å; Y228-L236 HydrophobicContact CG-CB 3.88Å; Y228-L236 HydrophobicContact CG-CD1 4.42Å; L236-D238 VanDerWaalsContact C-N 3.27Å; L236-D238 PolarHBondContact O-N 3.25Å; L236-D239 PolarHBondContact O-N 2.65Å; L236-V240 HydrophobicContact CD1-CG2 4.37Å; L236-V240 WeakPolarHBondContact O-CG2 3.17Å; L236-V240 PolarHBondContact O-N 3.42Å; L236-L256 HydrophobicContact CD2-CD2 3.71Å; L236-L256 HydrophobicContact CG-CD1 4.19Å; L236-L256 HydrophobicContact CG-CD2 4.09Å
237S92.3Very high90.9Very high23 Ų2361.7 Ų61.716%0.16133%0.331CS..Hα-helixtrans-63-30176.877.50000114Y235 K241Y235-S237 PolarHBondContact O-N 3.01Å; Y235-S237 VanDerWaalsContact O-N 3.09Å; S237-K241 VanDerWaalsContact O-CG 3.26Å; S237-K241 WeakPolarHBondContact O-CG 3.27Å; S237-K241 PolarHBondContact O-N 3.37Å
238D92.7Very high89.7Confident61 Ų6159.4 Ų59.433%0.32632%0.319SS..Hα-helixtrans-78.1-37.8179.5-67.5-24.3000111Y235 L236 V240 K241 Q242Y235-D238 WeakPolarHBondContact CD2-OD2 3.5Å; Y235-D238 WeakPolarHBondContact O-CB 3.39Å; Y235-D238 PolarHBondContact O-N 3.32Å; L236-D238 VanDerWaalsContact C-N 3.27Å; L236-D238 PolarHBondContact O-N 3.25Å; D238-V240 VanDerWaalsContact C-N 3.31Å; D238-V240 PolarHBondContact O-N 2.99Å; D238-K241 PolarHBondContact O-N 3.44Å; D238-K241 IonicContact OD1-NZ 2.8Å; D238-K241 PolarHBondContact OD1-NZ 2.84Å; D238-Q242 WeakPolarHBondContact O-CG 3.38Å; D238-Q242 PolarHBondContact O-N 3.12Å
239D93.2Very high88.8Confident8 Ų860.5 Ų60.54%0.04333%0.325CS..Hα-helixtrans-68.9-32.9173.5-65.9-12.2000111.4L199 H200 Y228 T234 Y235 L236 Q242 K243L199-D239 HydrophobicContact CD1-CB 3.98Å; H200-D239 IonicContact CE1-OD2 2.9Å; H200-D239 PolarHBondContact CE1-OD2 2.98Å; H200-D239 IonicContact NE2-OD2 2.73Å; Y228-D239 VanDerWaalsContact CE1-OD2 3.29Å; Y228-D239 WeakPolarHBondContact CE1-OD2 3.39Å; Y228-D239 VanDerWaalsContact CZ-OD2 3.32Å; Y228-D239 PolarHBondContact OH-OD2 3.15Å; T234-D239 PolarHBondContact OG1-OD2 2.04Å; Y235-D239 PolarHBondContact O-N 2.75Å; L236-D239 PolarHBondContact O-N 2.65Å; D239-Q242 PolarHBondContact O-N 2.88Å; D239-Q242 PolarHBondContact OD1-NE2 3.42Å; D239-K243 PolarHBondContact O-N 3.39Å
240V91.8Very high87.9Confident0 Ų061.2 Ų61.20%033%0.331CS..Hα-helixtrans-61.8-48.4168.1166.70000110.7L199 L213 L236 D238 Q242 K243 Y244 L252 L256L199-V240 HydrophobicContact CD1-CG2 3.98Å; L199-V240 HydrophobicContact CD2-CG2 4.14Å; L213-V240 HydrophobicContact CD1-CG2 3.88Å; L236-V240 HydrophobicContact CD1-CG2 4.37Å; L236-V240 WeakPolarHBondContact O-CG2 3.17Å; L236-V240 PolarHBondContact O-N 3.42Å; D238-V240 VanDerWaalsContact C-N 3.31Å; D238-V240 PolarHBondContact O-N 2.99Å; V240-Q242 PolarHBondContact O-N 2.85Å; V240-K243 PolarHBondContact O-N 3.33Å; V240-Y244 HydrophobicContact CB-CD2 4.32Å; V240-Y244 HydrophobicContact CG1-CD2 3.63Å; V240-Y244 HydrophobicContact CG1-CE2 4.11Å; V240-Y244 WeakPolarHBondContact O-CD2 3.42Å; V240-Y244 PolarHBondContact O-N 3.22Å; V240-L252 HydrophobicContact CG1-CB 3.79Å; V240-L252 HydrophobicContact CG1-CD1 4.31Å; V240-L256 HydrophobicContact CB-CD1 4.28Å; V240-L256 HydrophobicContact CG2-CD1 3.94Å
241K88.9Confident87.1Confident81 Ų8158.4 Ų58.435%0.35231%0.309SS..Hα-helixtrans-63.5-21.6177.1-69.9167.5-151.7150.40114.1S237 D238 Y244 D249S237-K241 VanDerWaalsContact O-CG 3.26Å; S237-K241 WeakPolarHBondContact O-CG 3.27Å; S237-K241 PolarHBondContact O-N 3.37Å; D238-K241 PolarHBondContact O-N 3.44Å; D238-K241 IonicContact OD1-NZ 2.8Å; D238-K241 PolarHBondContact OD1-NZ 2.84Å; K241-Y244 CarbonylContact C-O 3.49Å; K241-D249 HydrophobicContact CG-CB 4.25Å
242Q87.6Confident86.4Confident126 Ų12654.9 Ų54.959%0.58929%0.29SS*.Hα-helixtrans-76.5-32.3173.3-71.5175.151.100112.1D238 D239 V240D238-Q242 WeakPolarHBondContact O-CG 3.38Å; D238-Q242 PolarHBondContact O-N 3.12Å; D239-Q242 PolarHBondContact O-N 2.88Å; D239-Q242 PolarHBondContact OD1-NE2 3.42Å; V240-Q242 PolarHBondContact O-N 2.85Å
243K84.9Confident85.7Confident41 Ų4151.7 Ų51.718%0.17828%0.278CS..Hα-helixtrans-87.5-36.8-179.3-169128.2-177175.10113.4V198 L199 V206 D239 V240V198-K243 PolarHBondContact O-NZ 3.15Å; L199-K243 HydrophobicContact CD2-CB 4.2Å; L199-K243 HydrophobicContact CD2-CD 4.16Å; L199-K243 HydrophobicContact CD2-CG 4.48Å; L199-K243 WeakPolarHBondContact O-CD 3.26Å; L199-K243 PolarHBondContact O-NZ 3.14Å; V206-K243 HydrophobicContact CG2-CG 4.44Å; D239-K243 PolarHBondContact O-N 3.39Å; V240-K243 PolarHBondContact O-N 3.33Å
244Y83.1Confident85.1Confident1 Ų153.1 Ų53.10%0.00427%0.269CS..SBendtrans-110155.1-178.1-54-86.4000110.2L199 V206 A209 Q210 V240 K241 Q248 L252L199-Y244 HydrophobicContact CD2-CE2 4.04Å; V206-Y244 HydrophobicContact CB-CE1 4.39Å; V206-Y244 HydrophobicContact CG1-CD1 3.5Å; V206-Y244 HydrophobicContact CG1-CE1 3.15Å; V206-Y244 PolarHBondContact O-OH 3.42Å; A209-Y244 VanDerWaalsContact CB-OH 3.25Å; A209-Y244 WeakPolarHBondContact CB-OH 3.25Å; Q210-Y244 WeakPolarHBondContact CA-OH 3.28Å; Q210-Y244 HydrophobicContact CB-CE1 4.18Å; Q210-Y244 PolarHBondContact N-OH 3.12Å; V240-Y244 HydrophobicContact CB-CD2 4.32Å; V240-Y244 HydrophobicContact CG1-CD2 3.63Å; V240-Y244 HydrophobicContact CG1-CE2 4.11Å; V240-Y244 WeakPolarHBondContact O-CD2 3.42Å; V240-Y244 PolarHBondContact O-N 3.22Å; K241-Y244 CarbonylContact C-O 3.49Å; Y244-Q248 HydrophobicContact CD1-CG 4.1Å; Y244-Q248 VanDerWaalsContact CD1-NE2 3.34Å; Y244-L252 HydrophobicContact CD1-CD1 3.61Å; Y244-L252 HydrophobicContact CD2-CD1 3.55Å; Y244-L252 HydrophobicContact CE1-CD1 3.56Å; Y244-L252 HydrophobicContact CE2-CD1 3.61Å; Y244-L252 HydrophobicContact CG-CD1 3.58Å
245F78.3Confident84.4Confident139 Ų13953.3 Ų53.361%0.6127%0.268SS*.  trans-134.1147.6-177.5-57.5-83.5000111.5D249F245-D249 VanDerWaalsContact C-OD2 3.32Å; F245-D249 WeakPolarHBondContact CA-OD2 3.44Å
246G77.3Confident83.6Confident43 Ų4347.9 Ų47.944%0.44325%0.247SC..THydrogen-bonded Turntrans71.9-137169.100000112.5Q248 D249 N250G246-Q248 PolarHBondContact O-N 3.05Å; G246-Q248 VanDerWaalsContact O-N 3.13Å; G246-D249 PolarHBondContact N-OD2 3.45Å; G246-D249 PolarHBondContact O-N 2.73Å; G246-N250 PolarHBondContact O-N 3.2Å; G246-N250 PolarHBondContact O-ND2 2.96Å
247K74.9Confident82.7Confident162 Ų16253.6 Ų53.670%0.70427%0.272SS*.Hα-helixtrans-64.5-22.7-174.7-65.2-173.6178.3-177.20114L9 A251L9-K247 HydrophobicContact CD2-CB 3.87Å; L9-K247 HydrophobicContact CD2-CD 4.01Å; K247-A251 WeakPolarHBondContact O-CB 3.46Å; K247-A251 PolarHBondContact O-N 2.89Å; K247-A251 VanDerWaalsContact O-N 3.13Å
248Q72.2Confident81.1Confident4 Ų455.8 Ų55.82%0.01929%0.288CS..Hα-helixtrans-73.9-41.8178.4-171.6-171.816.100111.9N8 L12 Y244 G246 N250 A251 L252N8-Q248 HydrophobicContact CB-CB 4.42Å; N8-Q248 VanDerWaalsContact CB-CD 3.43Å; N8-Q248 HydrophobicContact CB-CG 4.34Å; N8-Q248 PolarHBondContact ND2-OE1 3.36Å; L12-Q248 HydrophobicContact CD2-CG 4.42Å; Y244-Q248 HydrophobicContact CD1-CG 4.1Å; Y244-Q248 VanDerWaalsContact CD1-NE2 3.34Å; G246-Q248 PolarHBondContact O-N 3.05Å; G246-Q248 VanDerWaalsContact O-N 3.13Å; Q248-N250 VanDerWaalsContact C-N 3.26Å; Q248-N250 PolarHBondContact O-N 2.96Å; Q248-A251 PolarHBondContact O-N 3.21Å; Q248-L252 HydrophobicContact CG-CD1 4.1Å; Q248-L252 WeakPolarHBondContact O-CB 3.23Å; Q248-L252 WeakPolarHBondContact O-CG 3.47Å; Q248-L252 PolarHBondContact O-N 3.4Å
249D78Confident79Confident24 Ų2461 Ų6113%0.12831%0.31CS..Hα-helixtrans-60.9-40.7176.166.934.1000110.7K241 F245 G246 L252 T253K241-D249 HydrophobicContact CG-CB 4.25Å; F245-D249 VanDerWaalsContact C-OD2 3.32Å; F245-D249 WeakPolarHBondContact CA-OD2 3.44Å; G246-D249 PolarHBondContact N-OD2 3.45Å; G246-D249 PolarHBondContact O-N 2.73Å; D249-L252 PolarHBondContact O-N 3.11Å; D249-T253 WeakPolarHBondContact O-CA 3.48Å; D249-T253 WeakPolarHBondContact O-CB 3.48Å; D249-T253 PolarHBondContact O-N 2.85Å; D249-T253 PolarHBondContact O-OG1 3.43Å
250N78.6Confident76.6Confident91 Ų9168.6 Ų68.649%0.48735%0.345SS..Hα-helixtrans-65.7-45-179.9-73-67.8000110.7G246 Q248 T253 N254G246-N250 PolarHBondContact O-N 3.2Å; G246-N250 PolarHBondContact O-ND2 2.96Å; Q248-N250 VanDerWaalsContact C-N 3.26Å; Q248-N250 PolarHBondContact O-N 2.96Å; N250-T253 PolarHBondContact O-N 3.07Å; N250-N254 VanDerWaalsContact O-CB 3.29Å; N250-N254 WeakPolarHBondContact O-CB 3.37Å; N250-N254 PolarHBondContact O-N 3.25Å; N250-N254 PolarHBondContact O-ND2 2.92Å; N250-N254 PolarHBondContact O-OD1 3.19Å
251A80.3Confident74Confident28 Ų2874 Ų7423%0.23138%0.379CS..Hα-helixtrans-64.4-47.517800000111.9L9 L12 K247 Q248 N254 L255L9-A251 HydrophobicContact CD1-CB 4.28Å; L12-A251 HydrophobicContact CD2-CB 3.39Å; K247-A251 WeakPolarHBondContact O-CB 3.46Å; K247-A251 PolarHBondContact O-N 2.89Å; K247-A251 VanDerWaalsContact O-N 3.13Å; Q248-A251 PolarHBondContact O-N 3.21Å; A251-N254 PolarHBondContact O-N 3.49Å; A251-L255 PolarHBondContact O-N 3.4Å
252L82.9Confident71.4Confident1 Ų175.5 Ų75.51%0.00540%0.395CS..Hα-helixtrans-64.1-40.9175.7-72.5173.3000112.1L12 Q210 V240 Y244 Q248 D249 N254 L255 L256L12-L252 HydrophobicContact CD1-CD2 3.85Å; L12-L252 HydrophobicContact CD2-CD2 4.31Å; L12-L252 HydrophobicContact CD2-CG 4.14Å; Q210-L252 HydrophobicContact CG-CD2 4.15Å; V240-L252 HydrophobicContact CG1-CB 3.79Å; V240-L252 HydrophobicContact CG1-CD1 4.31Å; Y244-L252 HydrophobicContact CD1-CD1 3.61Å; Y244-L252 HydrophobicContact CD2-CD1 3.55Å; Y244-L252 HydrophobicContact CE1-CD1 3.56Å; Y244-L252 HydrophobicContact CE2-CD1 3.61Å; Y244-L252 HydrophobicContact CG-CD1 3.58Å; Q248-L252 HydrophobicContact CG-CD1 4.1Å; Q248-L252 WeakPolarHBondContact O-CB 3.23Å; Q248-L252 WeakPolarHBondContact O-CG 3.47Å; Q248-L252 PolarHBondContact O-N 3.4Å; D249-L252 PolarHBondContact O-N 3.11Å; L252-N254 VanDerWaalsContact C-N 3.27Å; L252-N254 PolarHBondContact O-N 3.08Å; L252-L255 HydrophobicContact CD2-CD1 4.23Å; L252-L255 WeakPolarHBondContact O-CB 3.37Å; L252-L255 PolarHBondContact O-N 2.97Å; L252-L256 WeakPolarHBondContact O-CG 3.28Å; L252-L256 PolarHBondContact O-N 3.42Å
253T81.5Confident69.1Low4 Ų475 Ų753%0.02540%0.399CS..Hα-helixtrans-65.1-32.4175.5-61.10000111.7D249 N250 L256 K257D249-T253 WeakPolarHBondContact O-CA 3.48Å; D249-T253 WeakPolarHBondContact O-CB 3.48Å; D249-T253 PolarHBondContact O-N 2.85Å; D249-T253 PolarHBondContact O-OG1 3.43Å; N250-T253 PolarHBondContact O-N 3.07Å; T253-L256 WeakPolarHBondContact O-CB 3.44Å; T253-L256 PolarHBondContact O-N 3.31Å; T253-K257 HydrophobicContact CG2-CD 4.36Å; T253-K257 WeakPolarHBondContact O-CG 3.36Å; T253-K257 PolarHBondContact O-N 3.21Å; T253-K257 VanDerWaalsContact O-N 3.13Å
254N83.8Confident66.9Low97 Ų9779.1 Ų79.152%0.51943%0.428SS..Hα-helixtrans-71.7-32.6174.3-71.7-10.8000111.8N250 A251 L252 L256 K257N250-N254 VanDerWaalsContact O-CB 3.29Å; N250-N254 WeakPolarHBondContact O-CB 3.37Å; N250-N254 PolarHBondContact O-N 3.25Å; N250-N254 PolarHBondContact O-ND2 2.92Å; N250-N254 PolarHBondContact O-OD1 3.19Å; A251-N254 PolarHBondContact O-N 3.49Å; L252-N254 VanDerWaalsContact C-N 3.27Å; L252-N254 PolarHBondContact O-N 3.08Å; N254-L256 PolarHBondContact O-N 3.28Å; N254-K257 PolarHBondContact O-N 3.45Å
255L79.8Confident65.1Low58 Ų5892.4 Ų92.430%0.30448%0.48SS..Hα-helixtrans-64.3-27.1169.3-64.2176000112.3L16 I214 A251 L252L16-L255 HydrophobicContact CD2-CD1 4.39Å; I214-L255 HydrophobicContact CG1-CD1 4.33Å; A251-L255 PolarHBondContact O-N 3.4Å; L252-L255 HydrophobicContact CD2-CD1 4.23Å; L252-L255 WeakPolarHBondContact O-CB 3.37Å; L252-L255 PolarHBondContact O-N 2.97Å
256L79.5Confident64.4Low10 Ų1090.1 Ų90.15%0.05247%0.474CS..Hα-helixtrans-82.9-18.2177.6-65.5172.3000113.9L213 L221 Q222 L236 V240 L252 T253 N254L213-L256 HydrophobicContact CD2-CD2 4.26Å; L221-L256 HydrophobicContact CD1-CD2 3.81Å; L221-L256 HydrophobicContact CD2-CD2 3.64Å; L221-L256 HydrophobicContact CG-CD2 3.74Å; Q222-L256 PolarHBondContact OE1-O 2.95Å; L236-L256 HydrophobicContact CD2-CD2 3.71Å; L236-L256 HydrophobicContact CG-CD1 4.19Å; L236-L256 HydrophobicContact CG-CD2 4.09Å; V240-L256 HydrophobicContact CB-CD1 4.28Å; V240-L256 HydrophobicContact CG2-CD1 3.94Å; L252-L256 WeakPolarHBondContact O-CG 3.28Å; L252-L256 PolarHBondContact O-N 3.42Å; T253-L256 WeakPolarHBondContact O-CB 3.44Å; T253-L256 PolarHBondContact O-N 3.31Å; N254-L256 PolarHBondContact O-N 3.28Å
257K74.9Confident63.8Low124 Ų12492.5 Ų92.554%0.53948%0.475SS..SBendtrans-94.1108.5174.8-70.2170.5179.71770106.1T253 N254 E259T253-K257 HydrophobicContact CG2-CD 4.36Å; T253-K257 WeakPolarHBondContact O-CG 3.36Å; T253-K257 PolarHBondContact O-N 3.21Å; T253-K257 VanDerWaalsContact O-N 3.13Å; N254-K257 PolarHBondContact O-N 3.45Å; K257-E259 PolarHBondContact O-N 3.5Å
258S58.4Low63.2Low69 Ų6988.7 Ų88.748%0.48346%0.462SS..  trans-52.8134.916456.90000107.9E260S258-E260 PolarHBondContact O-N 2.99Å
259E49.2Very low62.6Low170 Ų17093.6 Ų93.679%0.79449%0.489SS*.  trans-57.6102.5155.2-72-175.8169.700104.3K257 T261K257-E259 PolarHBondContact O-N 3.5Å; E259-T261 PolarHBondContact O-N 3.46Å; E259-T261 PolarHBondContact O-OG1 3.19Å
260E43.8Very low61.7Low167 Ų16798 Ų9878%0.7851%0.511SS*.  trans-52.592.9148.4-77.2-176171.300103.4S258 T262S258-E260 PolarHBondContact O-N 2.99Å; E260-T262 PolarHBondContact O-N 2.85Å
261T37.3Very low60.5Low115 Ų11598.5 Ų98.571%0.70651%0.513SS*.  trans-64.189.1166.9-170000102.3E259 V263E259-T261 PolarHBondContact O-N 3.46Å; E259-T261 PolarHBondContact O-OG1 3.19Å; T261-V263 VanDerWaalsContact C-N 3.26Å; T261-V263 PolarHBondContact O-N 3.04Å
262T34.1Very low59.1Low112 Ų112103.5 Ų103.569%0.68753%0.533SS*.  trans-50.6103.7166.120.40000104.2E260 V264E260-T262 PolarHBondContact O-N 2.85Å; T262-V264 PolarHBondContact O-N 3.49Å
263V39Very low57.3Low114 Ų114111.4 Ų111.469%0.69157%0.573SS**  trans-64.594.7167.9-178.90000103.9T261 Y265T261-V263 VanDerWaalsContact C-N 3.26Å; T261-V263 PolarHBondContact O-N 3.04Å; V263-Y265 PolarHBondContact O-N 2.96Å; V263-Y265 VanDerWaalsContact O-N 3.09Å
264V38.3Very low55.3Low128 Ų128120.3 Ų120.378%0.77662%0.619SS**  trans-68.4105.6169.8-176.50000105T262T262-V264 PolarHBondContact O-N 3.49Å
265Y45.3Very low52.7Low280 Ų280122.5 Ų122.5100%1.09863%0.628SS**  trans-58.40171.6-72.5-80.7000111.8V263V263-Y265 PolarHBondContact O-N 2.96Å; V263-Y265 VanDerWaalsContact O-N 3.09Å

Retrieved 265 of 265 residues in 278.5 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).