A0A5K4FCS2_SCHMA Loading...

Cathepsin L

AlphaFold DB , UniProt , Accession A0A5K4FCS2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 330 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M64.6Low80.8Confident188 Ų188121.5 Ų121.593%0.92661%0.61SS**  0-51.20-151.616173.600113.4V3 F4 L5M1-V3 PolarHBondContact O-N 3.5Å; M1-F4 PolarHBondContact O-N 2.95Å; M1-L5 PolarHBondContact O-N 3.35Å
2K73Confident81.4Confident178 Ų178117.6 Ų117.677%0.77459%0.591SS**Hα-helixtrans-58.3-40.4-178.9-67.4-176.2178.4-179.60114.9F4 L5 L6K2-F4 PolarHBondContact O-N 3.36Å; K2-L5 PolarHBondContact O-N 3.13Å; K2-L6 PolarHBondContact O-N 3.41Å; K2-L6 VanDerWaalsContact O-N 3.13Å
3V77Confident81.6Confident103 Ų103113.6 Ų113.662%0.62458%0.581SS**Hα-helixtrans-64.3-39.9179.1179.50000112.2M1 L6 L7M1-V3 PolarHBondContact O-N 3.5Å; V3-L6 PolarHBondContact O-N 3.32Å; V3-L7 HydrophobicContact CG1-CD1 3.99Å; V3-L7 HydrophobicContact CG1-CG 4.44Å; V3-L7 WeakPolarHBondContact O-CG 3.39Å; V3-L7 PolarHBondContact O-N 3.28Å
4F78.8Confident81.9Confident161 Ų161110.4 Ų110.471%0.70657%0.569SS**Hα-helixtrans-66.6-39.6178.4-74.1-80.3000112.5M1 K2 L7 F8M1-F4 PolarHBondContact O-N 2.95Å; K2-F4 PolarHBondContact O-N 3.36Å; F4-L7 PolarHBondContact O-N 2.92Å; F4-F8 WeakPolarHBondContact O-CB 3.28Å; F4-F8 PolarHBondContact O-N 3.43Å
5L80.9Confident82Confident114 Ų114106.3 Ų106.360%0.59756%0.558SS**Hα-helixtrans-64.3-40.9175-71.8167.4000111.8M1 K2 F8 S9M1-L5 PolarHBondContact O-N 3.35Å; K2-L5 PolarHBondContact O-N 3.13Å; L5-F8 PolarHBondContact O-N 3.49Å; L5-S9 WeakPolarHBondContact O-CB 3.31Å; L5-S9 PolarHBondContact O-N 2.99Å; L5-S9 PolarHBondContact O-OG 3.24Å
6L82.5Confident82.1Confident109 Ų109106.3 Ų106.357%0.57156%0.557SS**Hα-helixtrans-62.9-49.1175-112.5134.9000111.7K2 V3 F8 S9 I10K2-L6 PolarHBondContact O-N 3.41Å; K2-L6 VanDerWaalsContact O-N 3.13Å; V3-L6 PolarHBondContact O-N 3.32Å; L6-F8 PolarHBondContact O-N 3.47Å; L6-S9 PolarHBondContact O-N 3.44Å; L6-S9 PolarHBondContact O-OG 2.98Å; L6-I10 HydrophobicContact CD2-CD1 4.38Å; L6-I10 VanDerWaalsContact O-CG1 3.31Å; L6-I10 WeakPolarHBondContact O-CG1 3.45Å; L6-I10 PolarHBondContact O-N 3.32Å
7L84.9Confident82Confident89 Ų89103.4 Ų103.447%0.46655%0.552SS.*Hα-helixtrans-59.8-43.8176.9-73.5168.8000112.1V3 F4 S9 I10 I11V3-L7 HydrophobicContact CG1-CD1 3.99Å; V3-L7 HydrophobicContact CG1-CG 4.44Å; V3-L7 WeakPolarHBondContact O-CG 3.39Å; V3-L7 PolarHBondContact O-N 3.28Å; F4-L7 PolarHBondContact O-N 2.92Å; L7-S9 PolarHBondContact O-N 3.27Å; L7-I10 PolarHBondContact O-N 3.48Å; L7-I11 VanDerWaalsContact O-CG1 3.28Å; L7-I11 WeakPolarHBondContact O-CG1 3.34Å; L7-I11 PolarHBondContact O-N 2.93Å
8F86.3Confident81.9Confident133 Ų133104.4 Ų104.458%0.58355%0.553SS**Hα-helixtrans-62-43176.9-173.5-109.6000112F4 L5 L6 I10 I11 I12F4-F8 WeakPolarHBondContact O-CB 3.28Å; F4-F8 PolarHBondContact O-N 3.43Å; L5-F8 PolarHBondContact O-N 3.49Å; L6-F8 PolarHBondContact O-N 3.47Å; F8-I10 VanDerWaalsContact C-N 3.33Å; F8-I10 PolarHBondContact O-N 2.95Å; F8-I11 PolarHBondContact O-N 3.05Å; F8-I12 HydrophobicContact CD1-CD1 3.63Å; F8-I12 HydrophobicContact CE1-CD1 3.23Å; F8-I12 HydrophobicContact CE1-CG1 4.35Å; F8-I12 HydrophobicContact CE2-CD1 4.24Å; F8-I12 HydrophobicContact CG-CD1 4.3Å; F8-I12 HydrophobicContact CZ-CD1 3.58Å; F8-I12 HydrophobicContact CZ-CG1 4.37Å; F8-I12 WeakPolarHBondContact O-CG1 3.24Å; F8-I12 PolarHBondContact O-N 3.32Å
9S84.9Confident81.8Confident64 Ų64104.9 Ų104.945%0.44855%0.552SS.*Hα-helixtrans-63.5-36.5176.271.20000113.2L5 L6 L7 S13L5-S9 WeakPolarHBondContact O-CB 3.31Å; L5-S9 PolarHBondContact O-N 2.99Å; L5-S9 PolarHBondContact O-OG 3.24Å; L6-S9 PolarHBondContact O-N 3.44Å; L6-S9 PolarHBondContact O-OG 2.98Å; L7-S9 PolarHBondContact O-N 3.27Å; S9-S13 PolarHBondContact O-N 2.69Å; S9-S13 PolarHBondContact O-OG 3.39Å
10I87.9Confident81.6Confident85 Ų85103.5 Ų103.544%0.43654%0.544SS..Hα-helixtrans-69.4-42.6175.7-67164.8000110.7L6 L7 F8 I12 S13 V14L6-I10 HydrophobicContact CD2-CD1 4.38Å; L6-I10 VanDerWaalsContact O-CG1 3.31Å; L6-I10 WeakPolarHBondContact O-CG1 3.45Å; L6-I10 PolarHBondContact O-N 3.32Å; L7-I10 PolarHBondContact O-N 3.48Å; F8-I10 VanDerWaalsContact C-N 3.33Å; F8-I10 PolarHBondContact O-N 2.95Å; I10-I12 VanDerWaalsContact C-N 3.33Å; I10-I12 PolarHBondContact O-N 2.94Å; I10-S13 WeakPolarHBondContact CA-OG 3.5Å; I10-S13 PolarHBondContact O-N 3.34Å; I10-S13 PolarHBondContact O-OG 3.46Å; I10-V14 HydrophobicContact CG2-CG2 4.3Å; I10-V14 WeakPolarHBondContact O-CB 3.4Å; I10-V14 VanDerWaalsContact O-CG2 3.24Å; I10-V14 WeakPolarHBondContact O-CG2 3.35Å; I10-V14 PolarHBondContact O-N 3.01Å
11I88.4Confident81.6Confident113 Ų113101.5 Ų101.558%0.57954%0.539SS*.Hα-helixtrans-62.3-43.3178.1-68.4164.2000110.4L7 F8 V14 A15L7-I11 VanDerWaalsContact O-CG1 3.28Å; L7-I11 WeakPolarHBondContact O-CG1 3.34Å; L7-I11 PolarHBondContact O-N 2.93Å; F8-I11 PolarHBondContact O-N 3.05Å; I11-V14 PolarHBondContact O-N 3.27Å; I11-A15 WeakPolarHBondContact O-CB 3.33Å; I11-A15 PolarHBondContact O-N 2.97Å
12I87.2Confident82.4Confident74 Ų7498.1 Ų98.138%0.37952%0.524SS..Hα-helixtrans-62.5-46.9176.7-70.2170.4000111.1F8 I10 V14 A15 I16F8-I12 HydrophobicContact CD1-CD1 3.63Å; F8-I12 HydrophobicContact CE1-CD1 3.23Å; F8-I12 HydrophobicContact CE1-CG1 4.35Å; F8-I12 HydrophobicContact CE2-CD1 4.24Å; F8-I12 HydrophobicContact CG-CD1 4.3Å; F8-I12 HydrophobicContact CZ-CD1 3.58Å; F8-I12 HydrophobicContact CZ-CG1 4.37Å; F8-I12 WeakPolarHBondContact O-CG1 3.24Å; F8-I12 PolarHBondContact O-N 3.32Å; I10-I12 VanDerWaalsContact C-N 3.33Å; I10-I12 PolarHBondContact O-N 2.94Å; I12-V14 VanDerWaalsContact C-N 3.34Å; I12-V14 PolarHBondContact O-N 3.48Å; I12-A15 PolarHBondContact O-N 3.48Å; I12-I16 HydrophobicContact CG2-CD1 3.63Å; I12-I16 HydrophobicContact CG2-CG1 4.31Å; I12-I16 VanDerWaalsContact O-CG1 3.29Å; I12-I16 WeakPolarHBondContact O-CG1 3.45Å; I12-I16 PolarHBondContact O-N 2.87Å
13S84.7Confident82.9Confident66 Ų6694.2 Ų94.246%0.46251%0.509SS..Hα-helixtrans-64.4-39.3-178.964.70000112.1S9 I10 A17S9-S13 PolarHBondContact O-N 2.69Å; S9-S13 PolarHBondContact O-OG 3.39Å; I10-S13 WeakPolarHBondContact CA-OG 3.5Å; I10-S13 PolarHBondContact O-N 3.34Å; I10-S13 PolarHBondContact O-OG 3.46Å; S13-A17 WeakPolarHBondContact O-CB 3.44Å; S13-A17 PolarHBondContact O-N 2.92Å
14V85.7Confident83.4Confident68 Ų6891 Ų9141%0.41249%0.485SS..Hα-helixtrans-64.3-44.6173.9172.60000111.2I10 I11 I12 I16 A17 Q18I10-V14 HydrophobicContact CG2-CG2 4.3Å; I10-V14 WeakPolarHBondContact O-CB 3.4Å; I10-V14 VanDerWaalsContact O-CG2 3.24Å; I10-V14 WeakPolarHBondContact O-CG2 3.35Å; I10-V14 PolarHBondContact O-N 3.01Å; I11-V14 PolarHBondContact O-N 3.27Å; I12-V14 VanDerWaalsContact C-N 3.34Å; I12-V14 PolarHBondContact O-N 3.48Å; V14-I16 PolarHBondContact O-N 3.45Å; V14-A17 PolarHBondContact O-N 3.35Å; V14-Q18 HydrophobicContact CG1-CG 4.36Å; V14-Q18 WeakPolarHBondContact O-CB 3.33Å; V14-Q18 WeakPolarHBondContact O-CG 3.34Å; V14-Q18 PolarHBondContact O-N 3.49Å
15A83.9Confident84Confident49 Ų4985.3 Ų85.341%0.40546%0.463SS..Hα-helixtrans-62.9-42.1178.600000112.2I11 I12 Q18 H19I11-A15 WeakPolarHBondContact O-CB 3.33Å; I11-A15 PolarHBondContact O-N 2.97Å; I12-A15 PolarHBondContact O-N 3.48Å; A15-Q18 PolarHBondContact O-N 2.93Å; A15-H19 WeakPolarHBondContact O-CB 3.35Å; A15-H19 PolarHBondContact O-N 3.43Å
16I83.3Confident84.5Confident106 Ų10683.9 Ų83.954%0.54446%0.455SS..Hα-helixtrans-63-45.7175-67.4168000110.5I12 V14 Q18 H19 L20I12-I16 HydrophobicContact CG2-CD1 3.63Å; I12-I16 HydrophobicContact CG2-CG1 4.31Å; I12-I16 VanDerWaalsContact O-CG1 3.29Å; I12-I16 WeakPolarHBondContact O-CG1 3.45Å; I12-I16 PolarHBondContact O-N 2.87Å; V14-I16 PolarHBondContact O-N 3.45Å; I16-Q18 PolarHBondContact O-N 3.29Å; I16-H19 PolarHBondContact O-N 3.29Å; I16-L20 WeakPolarHBondContact O-CB 3.41Å; I16-L20 PolarHBondContact O-N 2.92Å
17A80.8Confident85.1Confident58 Ų5881.8 Ų81.848%0.47944%0.444SS..Hα-helixtrans-62.4-41.6178.300000112.2S13 V14 S21S13-A17 WeakPolarHBondContact O-CB 3.44Å; S13-A17 PolarHBondContact O-N 2.92Å; V14-A17 PolarHBondContact O-N 3.35Å; A17-S21 WeakPolarHBondContact O-CB 3.29Å; A17-S21 PolarHBondContact O-N 2.94Å
18Q79.6Confident85.7Confident122 Ų12277.7 Ų77.757%0.5742%0.422SS*.Hα-helixtrans-63.6-46.3175.3-76178.2-6.700111.8V14 A15 I16 L20 S21 L22V14-Q18 HydrophobicContact CG1-CG 4.36Å; V14-Q18 WeakPolarHBondContact O-CB 3.33Å; V14-Q18 WeakPolarHBondContact O-CG 3.34Å; V14-Q18 PolarHBondContact O-N 3.49Å; A15-Q18 PolarHBondContact O-N 2.93Å; I16-Q18 PolarHBondContact O-N 3.29Å; Q18-L20 PolarHBondContact O-N 3.5Å; Q18-S21 WeakPolarHBondContact O-CB 3.44Å; Q18-S21 PolarHBondContact O-N 2.92Å; Q18-L22 WeakPolarHBondContact O-CG 3.38Å; Q18-L22 PolarHBondContact O-N 3.19Å
19H80.3Confident86.1Confident114 Ų11477.3 Ų77.353%0.52842%0.42SS..Hα-helixtrans-61.4-46.1177.9178.4-85.4000111.7A15 I16 S21 L22 Q23A15-H19 WeakPolarHBondContact O-CB 3.35Å; A15-H19 PolarHBondContact O-N 3.43Å; I16-H19 PolarHBondContact O-N 3.29Å; H19-S21 VanDerWaalsContact C-N 3.33Å; H19-S21 PolarHBondContact O-N 3.29Å; H19-L22 PolarHBondContact O-N 3.31Å; H19-Q23 VanDerWaalsContact CE1-CD 3.44Å; H19-Q23 PolarHBondContact CE1-NE2 3.47Å; H19-Q23 PolarHBondContact O-N 2.91Å
20L77.7Confident86.7Confident76 Ų7679.4 Ų79.440%0.39842%0.423SS..Hα-helixtrans-61.8-41.9176.9-176.161.9000111.3I16 Q18 L22 Q23 Y24I16-L20 WeakPolarHBondContact O-CB 3.41Å; I16-L20 PolarHBondContact O-N 2.92Å; Q18-L20 PolarHBondContact O-N 3.5Å; L20-L22 PolarHBondContact O-N 3.03Å; L20-Q23 PolarHBondContact O-N 3.22Å; L20-Y24 HydrophobicContact CD1-CD2 4.04Å; L20-Y24 HydrophobicContact CD1-CE2 3.43Å; L20-Y24 VanDerWaalsContact CD1-CE2 3.43Å; L20-Y24 HydrophobicContact CD2-CE2 4.01Å; L20-Y24 HydrophobicContact CG-CD2 3.88Å; L20-Y24 HydrophobicContact CG-CE2 3.45Å; L20-Y24 VanDerWaalsContact CG-CE2 3.45Å; L20-Y24 WeakPolarHBondContact O-CD2 3.09Å; L20-Y24 PolarHBondContact O-N 2.97Å; L20-Y24 VanDerWaalsContact O-N 3.08Å
21S81.1Confident87.2Confident61 Ų6175.9 Ų75.943%0.42740%0.404SS..Hα-helixtrans-58.7-45.2173.5-171.80000112.1A17 Q18 H19 Q23 Y24 D25A17-S21 WeakPolarHBondContact O-CB 3.29Å; A17-S21 PolarHBondContact O-N 2.94Å; Q18-S21 WeakPolarHBondContact O-CB 3.44Å; Q18-S21 PolarHBondContact O-N 2.92Å; H19-S21 VanDerWaalsContact C-N 3.33Å; H19-S21 PolarHBondContact O-N 3.29Å; S21-Q23 VanDerWaalsContact C-N 3.34Å; S21-Q23 PolarHBondContact O-N 3.45Å; S21-Y24 PolarHBondContact O-N 3.46Å; S21-D25 VanDerWaalsContact O-CG 3.27Å; S21-D25 PolarHBondContact O-N 3.08Å; S21-D25 VanDerWaalsContact O-OD1 3.12Å
22L82.1Confident87.6Confident118 Ų11872.3 Ų72.362%0.61839%0.385SS*.Hα-helixtrans-63.6-38.3178.7-72.4171.7000112.4Q18 H19 L20 D25 D26Q18-L22 WeakPolarHBondContact O-CG 3.38Å; Q18-L22 PolarHBondContact O-N 3.19Å; H19-L22 PolarHBondContact O-N 3.31Å; L20-L22 PolarHBondContact O-N 3.03Å; L22-D25 PolarHBondContact O-N 3.42Å; L22-D26 PolarHBondContact O-N 3.42Å; L22-D26 VanDerWaalsContact O-N 3.09Å
23Q82.7Confident88.1Confident96 Ų9675.6 Ų75.645%0.44940%0.402SS..Hα-helixtrans-63.9-43.4174.9-72.6-171.1-30.100112.1H19 L20 S21 D25 D26 I27H19-Q23 VanDerWaalsContact CE1-CD 3.44Å; H19-Q23 PolarHBondContact CE1-NE2 3.47Å; H19-Q23 PolarHBondContact O-N 2.91Å; L20-Q23 PolarHBondContact O-N 3.22Å; S21-Q23 VanDerWaalsContact C-N 3.34Å; S21-Q23 PolarHBondContact O-N 3.45Å; Q23-D25 VanDerWaalsContact C-N 3.31Å; Q23-D25 PolarHBondContact O-N 3.34Å; Q23-D26 PolarHBondContact O-N 3.18Å; Q23-I27 VanDerWaalsContact O-CG1 3.31Å; Q23-I27 WeakPolarHBondContact O-CG1 3.31Å; Q23-I27 PolarHBondContact O-N 3.09Å
24Y86.8Confident88.7Confident34 Ų3479.6 Ų79.613%0.13341%0.411CS..Hα-helixtrans-64.9-35.2175.6-74.8-63.7000112.4L20 S21 W28 M52 V55L20-Y24 HydrophobicContact CD1-CD2 4.04Å; L20-Y24 HydrophobicContact CD1-CE2 3.43Å; L20-Y24 VanDerWaalsContact CD1-CE2 3.43Å; L20-Y24 HydrophobicContact CD2-CE2 4.01Å; L20-Y24 HydrophobicContact CG-CD2 3.88Å; L20-Y24 HydrophobicContact CG-CE2 3.45Å; L20-Y24 VanDerWaalsContact CG-CE2 3.45Å; L20-Y24 WeakPolarHBondContact O-CD2 3.09Å; L20-Y24 PolarHBondContact O-N 2.97Å; L20-Y24 VanDerWaalsContact O-N 3.08Å; S21-Y24 PolarHBondContact O-N 3.46Å; Y24-W28 WeakPolarHBondContact O-CB 3.37Å; Y24-W28 PolarHBondContact O-N 2.58Å; Y24-M52 HydrophobicContact CD1-CE 4.2Å; Y24-M52 HydrophobicContact CD1-CG 4.07Å; Y24-M52 HydrophobicContact CD2-CE 3.55Å; Y24-M52 HydrophobicContact CE2-CE 4Å; Y24-M52 HydrophobicContact CG-CE 3.67Å; Y24-M52 HydrophobicContact CG-CG 4.28Å; Y24-M52 HydrophobicContact CG-SD 4.4Å; Y24-V55 HydrophobicContact CD1-CG1 4.49Å; Y24-V55 HydrophobicContact CE1-CB 4.15Å; Y24-V55 HydrophobicContact CE1-CG1 3.74Å
25D91.5Very high89.3Confident43 Ų4377.9 Ų77.923%0.2340%0.398CS..Hα-helixtrans-63.8-44.1176.4-73.66.8000112.4S21 L22 Q23 K29 K48S21-D25 VanDerWaalsContact O-CG 3.27Å; S21-D25 PolarHBondContact O-N 3.08Å; S21-D25 VanDerWaalsContact O-OD1 3.12Å; L22-D25 PolarHBondContact O-N 3.42Å; Q23-D25 VanDerWaalsContact C-N 3.31Å; Q23-D25 PolarHBondContact O-N 3.34Å; D25-K29 VanDerWaalsContact O-CG 3.29Å; D25-K29 WeakPolarHBondContact O-CG 3.3Å; D25-K29 PolarHBondContact O-N 2.73Å; D25-K48 VanDerWaalsContact OD1-CE 3.3Å; D25-K48 WeakPolarHBondContact OD1-CE 3.45Å; D25-K48 IonicContact OD1-NZ 2.58Å; D25-K48 PolarHBondContact OD1-NZ 2.92Å; D25-K48 IonicContact OD2-NZ 3.99Å
26D93.2Very high89.9Confident84 Ų8482.4 Ų82.445%0.44942%0.415SS..Hα-helixtrans-67.3-48.8178.2-178.857.6000111.5L22 Q23 W28 K29 Q30L22-D26 PolarHBondContact O-N 3.42Å; L22-D26 VanDerWaalsContact O-N 3.09Å; Q23-D26 PolarHBondContact O-N 3.18Å; D26-W28 VanDerWaalsContact C-N 3.29Å; D26-W28 PolarHBondContact O-N 2.66Å; D26-K29 PolarHBondContact O-N 2.85Å; D26-K29 VanDerWaalsContact O-N 3.14Å; D26-Q30 WeakPolarHBondContact O-CG 3.15Å; D26-Q30 PolarHBondContact O-N 3.06Å; D26-Q30 PolarHBondContact OD1-NE2 3.44Å; D26-Q30 PolarHBondContact OD2-NE2 3.39Å
27I94.6Very high90.5Very high64 Ų6479.7 Ų79.733%0.32840%0.399SS..Hα-helixtrans-59.5-41176.8-67.6169.4000110.9Q23 Q30 W31 F51 L76Q23-I27 VanDerWaalsContact O-CG1 3.31Å; Q23-I27 WeakPolarHBondContact O-CG1 3.31Å; Q23-I27 PolarHBondContact O-N 3.09Å; I27-Q30 PolarHBondContact O-N 3.46Å; I27-W31 VanDerWaalsContact O-CB 3.25Å; I27-W31 WeakPolarHBondContact O-CB 3.29Å; I27-W31 PolarHBondContact O-N 3.3Å; I27-F51 HydrophobicContact CG2-CE1 3.97Å; I27-F51 HydrophobicContact CG2-CZ 3.83Å; I27-L76 HydrophobicContact CG2-CD1 4.38Å
28W96.4Very high91.2Very high4 Ų482.8 Ų82.82%0.01541%0.412CS..Hα-helixtrans-60-47.4175.3172.7-118.2000111.9Y24 D26 W31 K32 Y39 E44 R47 K48 F51 D81Y24-W28 WeakPolarHBondContact O-CB 3.37Å; Y24-W28 PolarHBondContact O-N 2.58Å; D26-W28 VanDerWaalsContact C-N 3.29Å; D26-W28 PolarHBondContact O-N 2.66Å; W28-W31 AromaticContact CE3-CE3 3.8Å; W28-W31 HydrophobicContact CE3-CE3 3.8Å; W28-W31 HydrophobicContact CE3-CZ3 4.19Å; W28-W31 HydrophobicContact CH2-CE3 4.27Å; W28-W31 AromaticContact CH2-CZ3 3.85Å; W28-W31 HydrophobicContact CH2-CZ3 3.85Å; W28-W31 AromaticContact CZ3-CE3 3.46Å; W28-W31 HydrophobicContact CZ3-CE3 3.46Å; W28-W31 VanDerWaalsContact CZ3-CE3 3.46Å; W28-W31 HydrophobicContact CZ3-CH2 4.39Å; W28-W31 AromaticContact CZ3-CZ3 3.38Å; W28-W31 HydrophobicContact CZ3-CZ3 3.38Å; W28-W31 PolarHBondContact O-N 3.03Å; W28-K32 HydrophobicContact CD2-CD 4.26Å; W28-K32 HydrophobicContact CD2-CG 4.07Å; W28-K32 HydrophobicContact CE3-CG 4.3Å; W28-K32 HydrophobicContact CH2-CD 4.36Å; W28-K32 HydrophobicContact CH2-CG 4.18Å; W28-K32 HydrophobicContact CZ2-CD 3.66Å; W28-K32 HydrophobicContact CZ2-CG 3.94Å; W28-K32 HydrophobicContact CZ3-CG 4.34Å; W28-K32 WeakPolarHBondContact O-CG 3.21Å; W28-K32 PolarHBondContact O-N 3.03Å; W28-Y39 HydrophobicContact CH2-CD2 4.29Å; W28-Y39 AromaticContact CH2-CE2 3.42Å; W28-Y39 HydrophobicContact CH2-CE2 3.42Å; W28-Y39 VanDerWaalsContact CH2-CE2 3.42Å; W28-Y39 AromaticContact CH2-CZ 3.87Å; W28-Y39 AromaticContact CZ2-CD2 3.84Å; W28-Y39 HydrophobicContact CZ2-CD2 3.84Å; W28-Y39 AromaticContact CZ2-CE2 3.37Å; W28-Y39 HydrophobicContact CZ2-CE2 3.37Å; W28-E44 HydrophobicContact CZ2-CG 4.29Å; W28-E44 PolarHBondContact NE1-OE1 3.28Å; W28-R47 HydrophobicContact CH2-CB 3.94Å; W28-R47 HydrophobicContact CZ2-CB 4.31Å; W28-K48 HydrophobicContact CD2-CB 4.16Å; W28-K48 HydrophobicContact CD2-CG 3.98Å; W28-K48 HydrophobicContact CG-CD 4.12Å; W28-K48 HydrophobicContact CG-CG 3.95Å; W28-K48 HydrophobicContact CH2-CB 4.49Å; W28-K48 HydrophobicContact CZ2-CB 4.02Å; W28-F51 HydrophobicContact CB-CE1 4.37Å; W28-F51 HydrophobicContact CD2-CD1 4.49Å; W28-F51 HydrophobicContact CE3-CB 3.78Å; W28-F51 AromaticContact CE3-CD1 3.58Å; W28-F51 HydrophobicContact CE3-CD1 3.58Å; W28-F51 AromaticContact CE3-CD2 3.97Å; W28-F51 HydrophobicContact CE3-CD2 3.97Å; W28-F51 HydrophobicContact CE3-CE1 4.12Å; W28-F51 HydrophobicContact CE3-CE2 4.48Å; W28-F51 AromaticContact CE3-CG 3.48Å; W28-F51 HydrophobicContact CE3-CG 3.48Å; W28-F51 VanDerWaalsContact CE3-CG 3.48Å; W28-F51 HydrophobicContact CZ3-CB 3.53Å; W28-F51 HydrophobicContact CZ3-CD1 4.21Å; W28-F51 AromaticContact CZ3-CD2 3.96Å; W28-F51 HydrophobicContact CZ3-CD2 3.96Å; W28-F51 AromaticContact CZ3-CG 3.64Å; W28-F51 HydrophobicContact CZ3-CG 3.64Å; W28-D81 HydrophobicContact CH2-CB 4.44Å
29K96.4Very high91.9Very high124 Ų12479 Ų7954%0.53939%0.394SS..Hα-helixtrans-60.3-47.4177.1-73.2169.4-175.3174.90111.5D25 D26 K32 L33D25-K29 VanDerWaalsContact O-CG 3.29Å; D25-K29 WeakPolarHBondContact O-CG 3.3Å; D25-K29 PolarHBondContact O-N 2.73Å; D26-K29 PolarHBondContact O-N 2.85Å; D26-K29 VanDerWaalsContact O-N 3.14Å; K29-K32 PolarHBondContact O-N 2.89Å; K29-L33 WeakPolarHBondContact O-CG 3.25Å; K29-L33 PolarHBondContact O-N 3.33Å
30Q96.5Very high92.5Very high109 Ų10976.9 Ų76.951%0.50939%0.391SS..Hα-helixtrans-64.2-41.5178.9-67.9-174.838.100112.3D26 I27 L33 K34D26-Q30 WeakPolarHBondContact O-CG 3.15Å; D26-Q30 PolarHBondContact O-N 3.06Å; D26-Q30 PolarHBondContact OD1-NE2 3.44Å; D26-Q30 PolarHBondContact OD2-NE2 3.39Å; I27-Q30 PolarHBondContact O-N 3.46Å; Q30-L33 PolarHBondContact O-N 3.16Å; Q30-K34 WeakPolarHBondContact O-CB 3.18Å; Q30-K34 PolarHBondContact O-N 2.95Å
31W97.8Very high92.9Very high10 Ų1080 Ų804%0.03841%0.408CS..Hα-helixtrans-63.4-44.4176.4177.690.4000111.6I27 W28 L33 K34 Y35 K37 Y39 F51 N77 C80 D81I27-W31 VanDerWaalsContact O-CB 3.25Å; I27-W31 WeakPolarHBondContact O-CB 3.29Å; I27-W31 PolarHBondContact O-N 3.3Å; W28-W31 AromaticContact CE3-CE3 3.8Å; W28-W31 HydrophobicContact CE3-CE3 3.8Å; W28-W31 HydrophobicContact CE3-CZ3 4.19Å; W28-W31 HydrophobicContact CH2-CE3 4.27Å; W28-W31 AromaticContact CH2-CZ3 3.85Å; W28-W31 HydrophobicContact CH2-CZ3 3.85Å; W28-W31 AromaticContact CZ3-CE3 3.46Å; W28-W31 HydrophobicContact CZ3-CE3 3.46Å; W28-W31 VanDerWaalsContact CZ3-CE3 3.46Å; W28-W31 HydrophobicContact CZ3-CH2 4.39Å; W28-W31 AromaticContact CZ3-CZ3 3.38Å; W28-W31 HydrophobicContact CZ3-CZ3 3.38Å; W28-W31 PolarHBondContact O-N 3.03Å; W31-L33 VanDerWaalsContact C-N 3.33Å; W31-L33 PolarHBondContact O-N 3.43Å; W31-K34 PolarHBondContact O-N 2.93Å; W31-Y35 AromaticContact CD1-CD2 3.48Å; W31-Y35 VanDerWaalsContact CD1-CD2 3.48Å; W31-Y35 AromaticContact CD1-CE2 3.44Å; W31-Y35 VanDerWaalsContact CD1-CE2 3.44Å; W31-Y35 HydrophobicContact CD2-CD2 4.04Å; W31-Y35 AromaticContact CE2-CD2 3.59Å; W31-Y35 AromaticContact CG-CD2 3.98Å; W31-Y35 HydrophobicContact CG-CD2 3.98Å; W31-Y35 HydrophobicContact CG-CE2 4.32Å; W31-Y35 HydrophobicContact CZ2-CD2 4.19Å; W31-Y35 AromaticContact NE1-CD2 3.23Å; W31-Y35 AromaticContact NE1-CE2 3.31Å; W31-Y35 VanDerWaalsContact NE1-CE2 3.31Å; W31-Y35 WeakPolarHBondContact O-CD2 3.43Å; W31-Y35 PolarHBondContact O-N 3.37Å; W31-K37 HydrophobicContact CE3-CG 4.44Å; W31-K37 HydrophobicContact CH2-CD 4.09Å; W31-K37 HydrophobicContact CH2-CG 3.71Å; W31-K37 HydrophobicContact CZ3-CB 4.09Å; W31-K37 HydrophobicContact CZ3-CD 4.41Å; W31-K37 HydrophobicContact CZ3-CG 3.64Å; W31-Y39 WeakPolarHBondContact CZ3-OH 3.44Å; W31-F51 HydrophobicContact CB-CE2 3.79Å; W31-F51 HydrophobicContact CB-CZ 3.77Å; W31-F51 AromaticContact CD1-CE2 3.48Å; W31-F51 VanDerWaalsContact CD1-CE2 3.48Å; W31-F51 AromaticContact CD2-CD2 3.84Å; W31-F51 HydrophobicContact CD2-CD2 3.84Å; W31-F51 AromaticContact CD2-CE2 3.5Å; W31-F51 HydrophobicContact CD2-CE2 3.5Å; W31-F51 HydrophobicContact CD2-CZ 4.35Å; W31-F51 AromaticContact CE2-CE2 3.84Å; W31-F51 HydrophobicContact CE3-CD2 4.12Å; W31-F51 HydrophobicContact CE3-CE2 4.14Å; W31-F51 HydrophobicContact CG-CD2 4.14Å; W31-F51 AromaticContact CG-CE2 3.29Å; W31-F51 HydrophobicContact CG-CE2 3.29Å; W31-F51 AromaticContact CG-CZ 3.82Å; W31-F51 HydrophobicContact CG-CZ 3.82Å; W31-F51 AromaticContact NE1-CE2 3.76Å; W31-N77 WeakPolarHBondContact CZ2-O 3.2Å; W31-N77 PolarHBondContact NE1-O 3.23Å; W31-C80 HydrophobicContact CZ2-CB 4.06Å; W31-D81 HydrophobicContact CH2-CB 3.56Å; W31-D81 HydrophobicContact CZ3-CB 4.04Å
32K98Very high93.2Very high38 Ų3881.8 Ų81.817%0.16542%0.421CS..Hα-helixtrans-58.4-44.6175-75.3-165.9-61176.70111.7W28 K29 Y35 N36 K37 Y39 E44W28-K32 HydrophobicContact CD2-CD 4.26Å; W28-K32 HydrophobicContact CD2-CG 4.07Å; W28-K32 HydrophobicContact CE3-CG 4.3Å; W28-K32 HydrophobicContact CH2-CD 4.36Å; W28-K32 HydrophobicContact CH2-CG 4.18Å; W28-K32 HydrophobicContact CZ2-CD 3.66Å; W28-K32 HydrophobicContact CZ2-CG 3.94Å; W28-K32 HydrophobicContact CZ3-CG 4.34Å; W28-K32 WeakPolarHBondContact O-CG 3.21Å; W28-K32 PolarHBondContact O-N 3.03Å; K29-K32 PolarHBondContact O-N 2.89Å; K32-Y35 CarbonylContact O-C 3.59Å; K32-Y35 PolarHBondContact O-N 3.14Å; K32-N36 CarbonylContact O-C 3.57Å; K32-N36 WeakPolarHBondContact O-CA 3.43Å; K32-N36 PolarHBondContact O-N 2.85Å; K32-K37 HydrophobicContact CB-CB 4.14Å; K32-K37 HydrophobicContact CG-CB 4.03Å; K32-K37 PolarHBondContact O-N 3.44Å; K32-Y39 HydrophobicContact CD-CD2 4.04Å; K32-Y39 HydrophobicContact CD-CE2 3.74Å; K32-Y39 HydrophobicContact CG-CE2 4.12Å; K32-E44 IonicContact NZ-OE1 2.61Å; K32-E44 PolarHBondContact NZ-OE1 3.13Å; K32-E44 IonicContact NZ-OE2 2.7Å
33L97.5Very high93.7Very high144 Ų14478.5 Ų78.575%0.75440%0.404SS*.Hα-helixtrans-61.2-46.5176.6-71.6171.7000111.6K29 Q30 W31 Y35 N36K29-L33 WeakPolarHBondContact O-CG 3.25Å; K29-L33 PolarHBondContact O-N 3.33Å; Q30-L33 PolarHBondContact O-N 3.16Å; W31-L33 VanDerWaalsContact C-N 3.33Å; W31-L33 PolarHBondContact O-N 3.43Å; L33-Y35 VanDerWaalsContact C-N 3.32Å; L33-Y35 PolarHBondContact O-N 2.96Å; L33-N36 PolarHBondContact O-N 3.35Å
34K97.6Very high94.3Very high149 Ų14976.3 Ų76.365%0.64839%0.394SS*.Hα-helixtrans-59.2-40.3179.8-179.4179.2178.5-167.90113Q30 W31Q30-K34 WeakPolarHBondContact O-CB 3.18Å; Q30-K34 PolarHBondContact O-N 2.95Å; W31-K34 PolarHBondContact O-N 2.93Å
35Y96.7Very high94.6Very high32 Ų3281 Ų8113%0.12542%0.42CS..THydrogen-bonded Turntrans-104.312.8-176.5-64.4-71.2000113.7W31 K32 L33 K37 L76 N77 Q78W31-Y35 AromaticContact CD1-CD2 3.48Å; W31-Y35 VanDerWaalsContact CD1-CD2 3.48Å; W31-Y35 AromaticContact CD1-CE2 3.44Å; W31-Y35 VanDerWaalsContact CD1-CE2 3.44Å; W31-Y35 HydrophobicContact CD2-CD2 4.04Å; W31-Y35 AromaticContact CE2-CD2 3.59Å; W31-Y35 AromaticContact CG-CD2 3.98Å; W31-Y35 HydrophobicContact CG-CD2 3.98Å; W31-Y35 HydrophobicContact CG-CE2 4.32Å; W31-Y35 HydrophobicContact CZ2-CD2 4.19Å; W31-Y35 AromaticContact NE1-CD2 3.23Å; W31-Y35 AromaticContact NE1-CE2 3.31Å; W31-Y35 VanDerWaalsContact NE1-CE2 3.31Å; W31-Y35 WeakPolarHBondContact O-CD2 3.43Å; W31-Y35 PolarHBondContact O-N 3.37Å; K32-Y35 CarbonylContact O-C 3.59Å; K32-Y35 PolarHBondContact O-N 3.14Å; L33-Y35 VanDerWaalsContact C-N 3.32Å; L33-Y35 PolarHBondContact O-N 2.96Å; Y35-K37 VanDerWaalsContact C-N 3.34Å; Y35-K37 PolarHBondContact O-N 3.15Å; Y35-L76 PolarHBondContact OH-O 3.03Å; Y35-N77 WeakPolarHBondContact OH-CA 3.44Å; Y35-Q78 HydrophobicContact CD1-CB 3.58Å; Y35-Q78 HydrophobicContact CE1-CB 4.07Å; Y35-Q78 HydrophobicContact CG-CB 4.1Å
36N96.6Very high94.7Very high145 Ų14584.1 Ų84.178%0.77543%0.428SS*.THydrogen-bonded Turntrans50.248179.9-166.440.3000113.8K32 L33K32-N36 CarbonylContact O-C 3.57Å; K32-N36 WeakPolarHBondContact O-CA 3.43Å; K32-N36 PolarHBondContact O-N 2.85Å; L33-N36 PolarHBondContact O-N 3.35Å
37K96.9Very high94.9Very high48 Ų4881.6 Ų81.621%0.20941%0.412CS..  trans-95.8133.8-176-62.4-75.4-168152.40111.6W31 K32 Y35 Y39 Q78 D81W31-K37 HydrophobicContact CE3-CG 4.44Å; W31-K37 HydrophobicContact CH2-CD 4.09Å; W31-K37 HydrophobicContact CH2-CG 3.71Å; W31-K37 HydrophobicContact CZ3-CB 4.09Å; W31-K37 HydrophobicContact CZ3-CD 4.41Å; W31-K37 HydrophobicContact CZ3-CG 3.64Å; K32-K37 HydrophobicContact CB-CB 4.14Å; K32-K37 HydrophobicContact CG-CB 4.03Å; K32-K37 PolarHBondContact O-N 3.44Å; Y35-K37 VanDerWaalsContact C-N 3.34Å; Y35-K37 PolarHBondContact O-N 3.15Å; K37-Y39 HydrophobicContact CB-CE2 3.99Å; K37-Y39 WeakPolarHBondContact CB-OH 3.03Å; K37-Q78 WeakPolarHBondContact CE-O 3.42Å; K37-Q78 PolarHBondContact NZ-O 2.86Å; K37-D81 IonicContact NZ-OD1 3.24Å; K37-D81 PolarHBondContact NZ-OD1 2.75Å; K37-D81 IonicContact NZ-OD2 2.64Å; K37-D81 PolarHBondContact NZ-OD2 3.49Å
38T95.5Very high95Very high123 Ų12380.9 Ų80.976%0.75541%0.407SS*.  trans-137.3149.4174.1570000109.6
39Y94.7Very high94.8Very high44 Ų4482.8 Ų82.817%0.17342%0.424CS..  trans-143.8156.2-176.2-50.4-74.9000110W28 W31 K32 K37 E44 R47 D81W28-Y39 HydrophobicContact CH2-CD2 4.29Å; W28-Y39 AromaticContact CH2-CE2 3.42Å; W28-Y39 HydrophobicContact CH2-CE2 3.42Å; W28-Y39 VanDerWaalsContact CH2-CE2 3.42Å; W28-Y39 AromaticContact CH2-CZ 3.87Å; W28-Y39 AromaticContact CZ2-CD2 3.84Å; W28-Y39 HydrophobicContact CZ2-CD2 3.84Å; W28-Y39 AromaticContact CZ2-CE2 3.37Å; W28-Y39 HydrophobicContact CZ2-CE2 3.37Å; W31-Y39 WeakPolarHBondContact CZ3-OH 3.44Å; K32-Y39 HydrophobicContact CD-CD2 4.04Å; K32-Y39 HydrophobicContact CD-CE2 3.74Å; K32-Y39 HydrophobicContact CG-CE2 4.12Å; K37-Y39 HydrophobicContact CB-CE2 3.99Å; K37-Y39 WeakPolarHBondContact CB-OH 3.03Å; Y39-E44 HydrophobicContact CD2-CG 4.48Å; Y39-R47 HydrophobicContact CD1-CB 4.26Å; Y39-R47 HydrophobicContact CD1-CG 3.69Å; Y39-R47 HydrophobicContact CE1-CB 4.01Å; Y39-R47 HydrophobicContact CE1-CG 3.62Å; Y39-R47 HydrophobicContact CE2-CB 4.3Å; Y39-R47 HydrophobicContact CG-CB 4.49Å; Y39-R47 HydrophobicContact CG-CG 4.27Å; Y39-D81 WeakPolarHBondContact CE1-OD2 3.31Å; Y39-D81 WeakPolarHBondContact OH-CB 3.42Å; Y39-D81 PolarHBondContact OH-OD2 2.84Å
40S92.3Very high94.8Very high69 Ų6977 Ų7748%0.48340%0.399SS..  trans-69.8153.8160.459.40000110.2S42 N43 E44S40-S42 VanDerWaalsContact C-N 3.27Å; S40-S42 PolarHBondContact O-N 3.25Å; S40-N43 PolarHBondContact O-N 3.04Å; S40-N43 WeakPolarHBondContact OG-CB 3.44Å; S40-E44 PolarHBondContact O-N 3.33Å
41D86.5Confident94.9Very high140 Ų14071.9 Ų71.975%0.74938%0.375SS*.Hα-helixtrans-52.4-43.2-176.9-63.1-18.6000113.1N43 E44D41-N43 VanDerWaalsContact C-N 3.34Å; D41-N43 PolarHBondContact O-N 3.03Å; D41-E44 PolarHBondContact O-N 3.49Å
42S86.8Confident94.7Very high100 Ų10074.4 Ų74.470%0.69939%0.388SS*.Hα-helixtrans-66.4-33.7179.357.90000113.3S40S40-S42 VanDerWaalsContact C-N 3.27Å; S40-S42 PolarHBondContact O-N 3.25Å
43N93Very high94.6Very high49 Ų4979.1 Ų79.126%0.26240%0.404SS..Hα-helixtrans-82.4-31.4178.6-165.522.4000111S40 D41 I45 R46 R47S40-N43 PolarHBondContact O-N 3.04Å; S40-N43 WeakPolarHBondContact OG-CB 3.44Å; D41-N43 VanDerWaalsContact C-N 3.34Å; D41-N43 PolarHBondContact O-N 3.03Å; N43-I45 VanDerWaalsContact C-N 3.3Å; N43-I45 PolarHBondContact O-N 2.9Å; N43-R46 PolarHBondContact O-N 3.38Å; N43-R46 VanDerWaalsContact O-N 3.15Å; N43-R47 WeakPolarHBondContact O-CG 3.32Å; N43-R47 PolarHBondContact O-N 3.28Å; N43-R47 WeakPolarHBondContact OD1-CG 3.33Å; N43-R47 PolarHBondContact OD1-NE 2.95Å; N43-R47 VanDerWaalsContact OD1-NE 3.16Å
44E95.3Very high94.6Very high49 Ų4973.1 Ų73.123%0.22937%0.372CS..Hα-helixtrans-57.8-42.1-178-177.8156.1-163.900112.2W28 K32 Y39 S40 D41 R46 R47 K48W28-E44 HydrophobicContact CZ2-CG 4.29Å; W28-E44 PolarHBondContact NE1-OE1 3.28Å; K32-E44 IonicContact NZ-OE1 2.61Å; K32-E44 PolarHBondContact NZ-OE1 3.13Å; K32-E44 IonicContact NZ-OE2 2.7Å; Y39-E44 HydrophobicContact CD2-CG 4.48Å; S40-E44 PolarHBondContact O-N 3.33Å; D41-E44 PolarHBondContact O-N 3.49Å; E44-R46 PolarHBondContact O-N 3.1Å; E44-R47 PolarHBondContact O-N 3.05Å; E44-K48 WeakPolarHBondContact O-CB 3.44Å; E44-K48 PolarHBondContact O-N 3.38Å
45I92.4Very high94.5Very high133 Ų13366.5 Ų66.568%0.68234%0.344SS*.Hα-helixtrans-58.9-47.7178.1-63.2172.1000110.8N43 A49N43-I45 VanDerWaalsContact C-N 3.3Å; N43-I45 PolarHBondContact O-N 2.9Å; I45-A49 WeakPolarHBondContact O-CB 3.46Å; I45-A49 PolarHBondContact O-N 3.05Å
46R94.7Very high94.4Very high109 Ų10969.8 Ų69.841%0.41136%0.36SS..Hα-helixtrans-63.5-47.3178.6178178.4172.1-120.7-4.4111.4N43 E44 A49 I50 D83 E86N43-R46 PolarHBondContact O-N 3.38Å; N43-R46 VanDerWaalsContact O-N 3.15Å; E44-R46 PolarHBondContact O-N 3.1Å; R46-A49 PolarHBondContact O-N 3.24Å; R46-I50 HydrophobicContact CG-CD1 4.08Å; R46-I50 WeakPolarHBondContact O-CG1 3.38Å; R46-I50 PolarHBondContact O-N 3.42Å; R46-D83 IonicContact CZ-OD2 3.65Å; R46-D83 IonicContact NH2-OD2 3.9Å; R46-D83 PolarHBondContact NH2-OD2 2.83Å; R46-E86 IonicContact CZ-OE1 2.75Å; R46-E86 IonicContact NH1-OE1 3.12Å; R46-E86 PolarHBondContact NH1-OE1 2.92Å; R46-E86 IonicContact NH2-OE1 2.68Å; R46-E86 PolarHBondContact NH2-OE1 3.02Å; R46-E86 IonicContact NH2-OE2 3.87Å; R46-E86 PolarHBondContact NH2-OE2 2.81Å
47R96.9Very high94.4Very high30 Ų3065.6 Ų65.611%0.11334%0.335CS..Hα-helixtrans-63.6-42.7-177.7-63.5-68.4172.1-161.60111.7W28 Y39 N43 E44 I50 F51 D81 E86W28-R47 HydrophobicContact CH2-CB 3.94Å; W28-R47 HydrophobicContact CZ2-CB 4.31Å; Y39-R47 HydrophobicContact CD1-CB 4.26Å; Y39-R47 HydrophobicContact CD1-CG 3.69Å; Y39-R47 HydrophobicContact CE1-CB 4.01Å; Y39-R47 HydrophobicContact CE1-CG 3.62Å; Y39-R47 HydrophobicContact CE2-CB 4.3Å; Y39-R47 HydrophobicContact CG-CB 4.49Å; Y39-R47 HydrophobicContact CG-CG 4.27Å; N43-R47 WeakPolarHBondContact O-CG 3.32Å; N43-R47 PolarHBondContact O-N 3.28Å; N43-R47 WeakPolarHBondContact OD1-CG 3.33Å; N43-R47 PolarHBondContact OD1-NE 2.95Å; N43-R47 VanDerWaalsContact OD1-NE 3.16Å; E44-R47 PolarHBondContact O-N 3.05Å; R47-I50 PolarHBondContact O-N 3.39Å; R47-F51 WeakPolarHBondContact O-CB 3.38Å; R47-F51 PolarHBondContact O-N 3.44Å; R47-D81 HydrophobicContact CB-CB 4.27Å; R47-D81 WeakPolarHBondContact CD-O 3.4Å; R47-D81 PolarHBondContact NH1-O 3.26Å; R47-E86 IonicContact CZ-OE1 2.68Å; R47-E86 IonicContact CZ-OE2 3.93Å; R47-E86 VanDerWaalsContact NH1-CD 3.32Å; R47-E86 IonicContact NH1-OE1 2.77Å; R47-E86 PolarHBondContact NH1-OE1 3.44Å; R47-E86 VanDerWaalsContact NH1-OE1 3.12Å; R47-E86 IonicContact NH1-OE2 3.87Å; R47-E86 PolarHBondContact NH1-OE2 2.97Å; R47-E86 IonicContact NH2-OE1 2.66Å; R47-E86 PolarHBondContact NH2-OE1 3.39Å; R47-E86 IonicContact NH2-OE2 3.82Å
48K95.6Very high94.5Very high49 Ų4964 Ų6421%0.21333%0.329CS..Hα-helixtrans-64.4-39.9174.5-173178.9175.6-169.60112.2D25 W28 E44 I50 F51 M52D25-K48 VanDerWaalsContact OD1-CE 3.3Å; D25-K48 WeakPolarHBondContact OD1-CE 3.45Å; D25-K48 IonicContact OD1-NZ 2.58Å; D25-K48 PolarHBondContact OD1-NZ 2.92Å; D25-K48 IonicContact OD2-NZ 3.99Å; W28-K48 HydrophobicContact CD2-CB 4.16Å; W28-K48 HydrophobicContact CD2-CG 3.98Å; W28-K48 HydrophobicContact CG-CD 4.12Å; W28-K48 HydrophobicContact CG-CG 3.95Å; W28-K48 HydrophobicContact CH2-CB 4.49Å; W28-K48 HydrophobicContact CZ2-CB 4.02Å; E44-K48 WeakPolarHBondContact O-CB 3.44Å; E44-K48 PolarHBondContact O-N 3.38Å; K48-I50 PolarHBondContact O-N 2.85Å; K48-F51 WeakPolarHBondContact O-CB 3.34Å; K48-F51 PolarHBondContact O-N 2.85Å; K48-M52 HydrophobicContact CG-SD 4.26Å; K48-M52 VanDerWaalsContact O-CG 3.31Å; K48-M52 WeakPolarHBondContact O-CG 3.39Å; K48-M52 PolarHBondContact O-N 3.34Å
49A93.7Very high94.6Very high45 Ų4562.8 Ų62.837%0.37232%0.315SS..Hα-helixtrans-64-39.6175.800000112.4I45 R46 R53I45-A49 WeakPolarHBondContact O-CB 3.46Å; I45-A49 PolarHBondContact O-N 3.05Å; R46-A49 PolarHBondContact O-N 3.24Å; A49-R53 WeakPolarHBondContact O-CG 3.46Å; A49-R53 PolarHBondContact O-N 3.31Å; A49-R53 PolarHBondContact O-NH1 3.34Å
50I96.2Very high94.7Very high3 Ų366 Ų662%0.01533%0.331CS..Hα-helixtrans-61.1-49.4172.1-67.2159.9000110.3R46 R47 K48 M52 R53 Y54 D81 D83R46-I50 HydrophobicContact CG-CD1 4.08Å; R46-I50 WeakPolarHBondContact O-CG1 3.38Å; R46-I50 PolarHBondContact O-N 3.42Å; R47-I50 PolarHBondContact O-N 3.39Å; K48-I50 PolarHBondContact O-N 2.85Å; I50-M52 VanDerWaalsContact C-N 3.35Å; I50-M52 PolarHBondContact O-N 2.89Å; I50-R53 VanDerWaalsContact CG1-NH2 3.31Å; I50-R53 WeakPolarHBondContact O-CB 3.49Å; I50-R53 PolarHBondContact O-N 2.96Å; I50-R53 VanDerWaalsContact O-N 3.13Å; I50-Y54 HydrophobicContact CG2-CD2 3.9Å; I50-Y54 HydrophobicContact CG2-CE2 3.58Å; I50-Y54 PolarHBondContact O-N 3.2Å; I50-Y54 VanDerWaalsContact O-N 3.14Å; I50-D81 WeakPolarHBondContact CD1-O 3.46Å; I50-D83 HydrophobicContact CD1-CB 4.23Å; I50-D83 HydrophobicContact CG1-CB 4.37Å
51F97.2Very high95Very high0 Ų063.4 Ų63.40%031%0.312CS..Hα-helixtrans-55.2-47.2178.5176.1-95.4000113.2I27 W28 W31 R47 K48 R53 Y54 V55 L76 C80I27-F51 HydrophobicContact CG2-CE1 3.97Å; I27-F51 HydrophobicContact CG2-CZ 3.83Å; W28-F51 HydrophobicContact CB-CE1 4.37Å; W28-F51 HydrophobicContact CD2-CD1 4.49Å; W28-F51 HydrophobicContact CE3-CB 3.78Å; W28-F51 AromaticContact CE3-CD1 3.58Å; W28-F51 HydrophobicContact CE3-CD1 3.58Å; W28-F51 AromaticContact CE3-CD2 3.97Å; W28-F51 HydrophobicContact CE3-CD2 3.97Å; W28-F51 HydrophobicContact CE3-CE1 4.12Å; W28-F51 HydrophobicContact CE3-CE2 4.48Å; W28-F51 AromaticContact CE3-CG 3.48Å; W28-F51 HydrophobicContact CE3-CG 3.48Å; W28-F51 VanDerWaalsContact CE3-CG 3.48Å; W28-F51 HydrophobicContact CZ3-CB 3.53Å; W28-F51 HydrophobicContact CZ3-CD1 4.21Å; W28-F51 AromaticContact CZ3-CD2 3.96Å; W28-F51 HydrophobicContact CZ3-CD2 3.96Å; W28-F51 AromaticContact CZ3-CG 3.64Å; W28-F51 HydrophobicContact CZ3-CG 3.64Å; W31-F51 HydrophobicContact CB-CE2 3.79Å; W31-F51 HydrophobicContact CB-CZ 3.77Å; W31-F51 AromaticContact CD1-CE2 3.48Å; W31-F51 VanDerWaalsContact CD1-CE2 3.48Å; W31-F51 AromaticContact CD2-CD2 3.84Å; W31-F51 HydrophobicContact CD2-CD2 3.84Å; W31-F51 AromaticContact CD2-CE2 3.5Å; W31-F51 HydrophobicContact CD2-CE2 3.5Å; W31-F51 HydrophobicContact CD2-CZ 4.35Å; W31-F51 AromaticContact CE2-CE2 3.84Å; W31-F51 HydrophobicContact CE3-CD2 4.12Å; W31-F51 HydrophobicContact CE3-CE2 4.14Å; W31-F51 HydrophobicContact CG-CD2 4.14Å; W31-F51 AromaticContact CG-CE2 3.29Å; W31-F51 HydrophobicContact CG-CE2 3.29Å; W31-F51 AromaticContact CG-CZ 3.82Å; W31-F51 HydrophobicContact CG-CZ 3.82Å; W31-F51 AromaticContact NE1-CE2 3.76Å; R47-F51 WeakPolarHBondContact O-CB 3.38Å; R47-F51 PolarHBondContact O-N 3.44Å; K48-F51 WeakPolarHBondContact O-CB 3.34Å; K48-F51 PolarHBondContact O-N 2.85Å; F51-R53 VanDerWaalsContact C-N 3.31Å; F51-R53 PolarHBondContact O-N 3.47Å; F51-Y54 PolarHBondContact O-N 3.35Å; F51-Y54 VanDerWaalsContact O-N 3.1Å; F51-V55 HydrophobicContact CD1-CG2 4.03Å; F51-V55 HydrophobicContact CE1-CG2 3.59Å; F51-V55 HydrophobicContact CE2-CG2 4.4Å; F51-V55 HydrophobicContact CZ-CG2 3.8Å; F51-V55 WeakPolarHBondContact O-CG2 3.44Å; F51-V55 PolarHBondContact O-N 3.35Å; F51-L76 HydrophobicContact CD2-CD2 4.37Å; F51-L76 HydrophobicContact CE2-CD1 4.01Å; F51-L76 HydrophobicContact CE2-CD2 3.69Å; F51-L76 HydrophobicContact CE2-CG 4.38Å; F51-L76 HydrophobicContact CZ-CD1 3.79Å; F51-L76 HydrophobicContact CZ-CD2 4.12Å; F51-C80 WeakPolarHBondContact CA-O 3.47Å; F51-C80 WeakPolarHBondContact CB-O 3.41Å; F51-C80 HydrophobicContact CD2-CB 3.87Å; F51-C80 HydrophobicContact CE2-CB 4.31Å; F51-C80 PolarHBondContact N-O 3.36Å
52M95.1Very high95.6Very high63 Ų6358.6 Ų58.631%0.3129%0.286SS..Hα-helixtrans-61.8-37.9178.6-70.8175.665.300112.3Y24 K48 I50 Y54 V55 E56Y24-M52 HydrophobicContact CD1-CE 4.2Å; Y24-M52 HydrophobicContact CD1-CG 4.07Å; Y24-M52 HydrophobicContact CD2-CE 3.55Å; Y24-M52 HydrophobicContact CE2-CE 4Å; Y24-M52 HydrophobicContact CG-CE 3.67Å; Y24-M52 HydrophobicContact CG-CG 4.28Å; Y24-M52 HydrophobicContact CG-SD 4.4Å; K48-M52 HydrophobicContact CG-SD 4.26Å; K48-M52 VanDerWaalsContact O-CG 3.31Å; K48-M52 WeakPolarHBondContact O-CG 3.39Å; K48-M52 PolarHBondContact O-N 3.34Å; I50-M52 VanDerWaalsContact C-N 3.35Å; I50-M52 PolarHBondContact O-N 2.89Å; M52-Y54 VanDerWaalsContact C-N 3.32Å; M52-Y54 PolarHBondContact O-N 3.45Å; M52-V55 PolarHBondContact O-N 2.93Å; M52-E56 PolarHBondContact O-N 2.86Å
53R95.2Very high96.1Very high137 Ų13759.1 Ų59.152%0.51728%0.28SS..Hα-helixtrans-62.5-38.6173.9-68.8-167.3-54.9-87.910112.2A49 I50 F51 E56 K57A49-R53 WeakPolarHBondContact O-CG 3.46Å; A49-R53 PolarHBondContact O-N 3.31Å; A49-R53 PolarHBondContact O-NH1 3.34Å; I50-R53 VanDerWaalsContact CG1-NH2 3.31Å; I50-R53 WeakPolarHBondContact O-CB 3.49Å; I50-R53 PolarHBondContact O-N 2.96Å; I50-R53 VanDerWaalsContact O-N 3.13Å; F51-R53 VanDerWaalsContact C-N 3.31Å; F51-R53 PolarHBondContact O-N 3.47Å; R53-E56 PolarHBondContact O-N 2.95Å; R53-K57 WeakPolarHBondContact O-CB 3.31Å; R53-K57 PolarHBondContact O-N 3.17Å
54Y96.9Very high96.4Very high19 Ų1963 Ų638%0.07529%0.291CS..Hα-helixtrans-70.8-36.6175-72.1-49.6000113.1I50 F51 M52 E56 K57 I58 C80 M82 L259I50-Y54 HydrophobicContact CG2-CD2 3.9Å; I50-Y54 HydrophobicContact CG2-CE2 3.58Å; I50-Y54 PolarHBondContact O-N 3.2Å; I50-Y54 VanDerWaalsContact O-N 3.14Å; F51-Y54 PolarHBondContact O-N 3.35Å; F51-Y54 VanDerWaalsContact O-N 3.1Å; M52-Y54 VanDerWaalsContact C-N 3.32Å; M52-Y54 PolarHBondContact O-N 3.45Å; Y54-E56 VanDerWaalsContact C-N 3.3Å; Y54-E56 PolarHBondContact O-N 2.92Å; Y54-K57 PolarHBondContact O-N 2.86Å; Y54-I58 VanDerWaalsContact O-CB 3.31Å; Y54-I58 WeakPolarHBondContact O-CB 3.46Å; Y54-I58 VanDerWaalsContact O-CD1 3.29Å; Y54-I58 WeakPolarHBondContact O-CD1 3.12Å; Y54-I58 WeakPolarHBondContact O-CG1 3.5Å; Y54-I58 PolarHBondContact O-N 2.77Å; Y54-C80 HydrophobicContact CD2-CB 4.12Å; Y54-C80 WeakPolarHBondContact CD2-O 3.29Å; Y54-M82 WeakPolarHBondContact CE2-O 3.42Å; Y54-M82 PolarHBondContact OH-O 2.9Å; Y54-M82 VanDerWaalsContact OH-O 3.13Å; Y54-L259 HydrophobicContact CD1-CD1 3.53Å; Y54-L259 HydrophobicContact CD1-CD2 3.78Å; Y54-L259 HydrophobicContact CD1-CG 4.17Å; Y54-L259 HydrophobicContact CE1-CD1 3.97Å; Y54-L259 HydrophobicContact CE1-CD2 4.18Å; Y54-L259 HydrophobicContact CE1-CG 4.41Å; Y54-L259 HydrophobicContact CG-CD1 4.41Å; Y54-L259 HydrophobicContact CG-CD2 3.99Å
55V96.1Very high96.5Very high10 Ų1063.6 Ų63.66%0.06129%0.294CS..Hα-helixtrans-56.6-47.7172.4176.30000110.2Y24 F51 M52 I58 Q59 L76Y24-V55 HydrophobicContact CD1-CG1 4.49Å; Y24-V55 HydrophobicContact CE1-CB 4.15Å; Y24-V55 HydrophobicContact CE1-CG1 3.74Å; F51-V55 HydrophobicContact CD1-CG2 4.03Å; F51-V55 HydrophobicContact CE1-CG2 3.59Å; F51-V55 HydrophobicContact CE2-CG2 4.4Å; F51-V55 HydrophobicContact CZ-CG2 3.8Å; F51-V55 WeakPolarHBondContact O-CG2 3.44Å; F51-V55 PolarHBondContact O-N 3.35Å; M52-V55 PolarHBondContact O-N 2.93Å; V55-I58 PolarHBondContact O-N 2.75Å; V55-Q59 HydrophobicContact CG1-CG 4.5Å; V55-Q59 VanDerWaalsContact O-CG 3.32Å; V55-Q59 WeakPolarHBondContact O-CG 2.99Å; V55-Q59 PolarHBondContact O-N 3.12Å; V55-L76 HydrophobicContact CG2-CD1 4.29Å; V55-L76 HydrophobicContact CG2-CD2 3.87Å
56E95.1Very high96.8Very high100 Ų10063.1 Ų63.147%0.46729%0.293SS..Hα-helixtrans-62.6-48.2177.7-175.1179.1-174.300112M52 R53 Y54 I58 Q59 Q60M52-E56 PolarHBondContact O-N 2.86Å; R53-E56 PolarHBondContact O-N 2.95Å; Y54-E56 VanDerWaalsContact C-N 3.3Å; Y54-E56 PolarHBondContact O-N 2.92Å; E56-I58 VanDerWaalsContact C-N 3.3Å; E56-I58 PolarHBondContact O-N 3.16Å; E56-Q59 PolarHBondContact O-N 3.14Å; E56-Q60 HydrophobicContact CG-CG 4.49Å; E56-Q60 WeakPolarHBondContact O-CG 3.21Å; E56-Q60 PolarHBondContact O-N 3.32Å; E56-Q60 PolarHBondContact OE1-NE2 3.34Å; E56-Q60 VanDerWaalsContact OE1-NE2 3.16Å
57K97Very high96.9Very high57 Ų5764.3 Ų64.325%0.24831%0.306CS..Hα-helixtrans-56.3-44.6176.8-176.1174.5179.5-174.50111.5R53 Y54 H61 M74 D255 L259R53-K57 WeakPolarHBondContact O-CB 3.31Å; R53-K57 PolarHBondContact O-N 3.17Å; Y54-K57 PolarHBondContact O-N 2.86Å; K57-H61 WeakPolarHBondContact O-CB 3.28Å; K57-H61 PolarHBondContact O-N 3.12Å; K57-M74 HydrophobicContact CG-SD 4.44Å; K57-D255 IonicContact NZ-OD1 2.92Å; K57-D255 PolarHBondContact NZ-OD1 3.48Å; K57-D255 IonicContact NZ-OD2 3.39Å; K57-D255 PolarHBondContact NZ-OD2 2.96Å; K57-L259 HydrophobicContact CD-CD1 3.76Å; K57-L259 HydrophobicContact CG-CD1 4.27Å
58I98.1Very high96.9Very high14 Ų1466 Ų667%0.07233%0.334CS..Hα-helixtrans-63.2-45178.2-71161.6000110.9Y54 V55 E56 H61 N62 M74 L76 L259Y54-I58 VanDerWaalsContact O-CB 3.31Å; Y54-I58 WeakPolarHBondContact O-CB 3.46Å; Y54-I58 VanDerWaalsContact O-CD1 3.29Å; Y54-I58 WeakPolarHBondContact O-CD1 3.12Å; Y54-I58 WeakPolarHBondContact O-CG1 3.5Å; Y54-I58 PolarHBondContact O-N 2.77Å; V55-I58 PolarHBondContact O-N 2.75Å; E56-I58 VanDerWaalsContact C-N 3.3Å; E56-I58 PolarHBondContact O-N 3.16Å; I58-H61 PolarHBondContact O-N 2.95Å; I58-N62 WeakPolarHBondContact CG2-ND2 3.38Å; I58-N62 VanDerWaalsContact O-CB 3.28Å; I58-N62 WeakPolarHBondContact O-CB 3.32Å; I58-N62 VanDerWaalsContact O-CG 3.24Å; I58-N62 PolarHBondContact O-N 3.48Å; I58-N62 PolarHBondContact O-ND2 2.89Å; I58-M74 HydrophobicContact CB-CB 4.33Å; I58-M74 HydrophobicContact CG1-CB 3.81Å; I58-M74 HydrophobicContact CG2-CB 4.25Å; I58-L76 HydrophobicContact CD1-CD2 3.52Å; I58-L76 HydrophobicContact CD1-CG 3.95Å; I58-L259 HydrophobicContact CD1-CD2 4.46Å; I58-L259 HydrophobicContact CG1-CD1 4.4Å
59Q97.1Very high96.9Very high99 Ų9969 Ų6946%0.46335%0.351SS..Hα-helixtrans-62-48179-75.6173-22.100111.3V55 E56 N62 L63V55-Q59 HydrophobicContact CG1-CG 4.5Å; V55-Q59 VanDerWaalsContact O-CG 3.32Å; V55-Q59 WeakPolarHBondContact O-CG 2.99Å; V55-Q59 PolarHBondContact O-N 3.12Å; E56-Q59 PolarHBondContact O-N 3.14Å; Q59-N62 PolarHBondContact O-N 3.23Å; Q59-L63 WeakPolarHBondContact O-CB 3.47Å; Q59-L63 WeakPolarHBondContact O-CG 3.45Å; Q59-L63 PolarHBondContact O-N 3.26Å
60Q98Very high97Very high110 Ų11068.4 Ų68.451%0.51434%0.341SS..Hα-helixtrans-62.8-43.6178.5-68.2178.53.800112.1E56 R64E56-Q60 HydrophobicContact CG-CG 4.49Å; E56-Q60 WeakPolarHBondContact O-CG 3.21Å; E56-Q60 PolarHBondContact O-N 3.32Å; E56-Q60 PolarHBondContact OE1-NE2 3.34Å; E56-Q60 VanDerWaalsContact OE1-NE2 3.16Å; Q60-R64 WeakPolarHBondContact O-CG 3.45Å; Q60-R64 PolarHBondContact O-N 3.46Å
61H98.3Very high97Very high16 Ų1669.2 Ų69.27%0.07435%0.35CS..Hα-helixtrans-63.2-46.1176.6-176.788.2000111.9K57 I58 L63 R64 H65 E70 Y72 M74K57-H61 WeakPolarHBondContact O-CB 3.28Å; K57-H61 PolarHBondContact O-N 3.12Å; I58-H61 PolarHBondContact O-N 2.95Å; H61-L63 PolarHBondContact O-N 3.26Å; H61-R64 WeakPolarHBondContact O-CB 3.19Å; H61-R64 PolarHBondContact O-N 3.38Å; H61-R64 VanDerWaalsContact O-N 3.12Å; H61-H65 PolarHBondContact O-N 3.47Å; H61-E70 VanDerWaalsContact CE1-CG 3.5Å; H61-E70 WeakPolarHBondContact CE1-CG 3.39Å; H61-E70 IonicContact CE1-OE2 3.76Å; H61-Y72 AromaticContact CE1-CE1 3.62Å; H61-Y72 AromaticContact CE1-CE2 3.67Å; H61-Y72 AromaticContact CE1-CZ 3.33Å; H61-Y72 AromaticContact NE2-CD2 3.76Å; H61-Y72 AromaticContact NE2-CE1 3.98Å; H61-Y72 AromaticContact NE2-CE2 3.58Å; H61-Y72 AromaticContact NE2-CZ 3.7Å; H61-Y72 PolarHBondContact NE2-O 2.66Å; H61-M74 HydrophobicContact CB-CE 4.3Å; H61-M74 HydrophobicContact CB-CG 4.28Å; H61-M74 HydrophobicContact CB-SD 3.74Å
62N98.6Very high97Very high39 Ų3969.4 Ų69.421%0.20935%0.35CS..Hα-helixtrans-69.5-32.3-178.4-70.3-13.1000112.2I58 Q59 R64 H65 D66 T73 M74I58-N62 WeakPolarHBondContact CG2-ND2 3.38Å; I58-N62 VanDerWaalsContact O-CB 3.28Å; I58-N62 WeakPolarHBondContact O-CB 3.32Å; I58-N62 VanDerWaalsContact O-CG 3.24Å; I58-N62 PolarHBondContact O-N 3.48Å; I58-N62 PolarHBondContact O-ND2 2.89Å; Q59-N62 PolarHBondContact O-N 3.23Å; N62-R64 VanDerWaalsContact C-N 3.32Å; N62-R64 PolarHBondContact O-N 2.54Å; N62-H65 WeakPolarHBondContact O-CB 3.46Å; N62-H65 PolarHBondContact O-N 2.92Å; N62-D66 VanDerWaalsContact O-CG 3.23Å; N62-D66 PolarHBondContact O-N 3.39Å; N62-T73 WeakPolarHBondContact OD1-CA 3.34Å; N62-T73 WeakPolarHBondContact OD1-CB 3.42Å; N62-M74 PolarHBondContact ND2-O 3.22Å; N62-M74 PolarHBondContact OD1-N 2.96Å
63L98.5Very high97.2Very high111 Ų11167.5 Ų67.558%0.58134%0.342SS*.Hα-helixtrans-61.3-39.4169-75.4170.6000112Q59 H61 D66 L67Q59-L63 WeakPolarHBondContact O-CB 3.47Å; Q59-L63 WeakPolarHBondContact O-CG 3.45Å; Q59-L63 PolarHBondContact O-N 3.26Å; H61-L63 PolarHBondContact O-N 3.26Å; L63-D66 PolarHBondContact O-N 2.98Å; L63-L67 WeakPolarHBondContact O-CG 3.47Å; L63-L67 PolarHBondContact O-N 2.78Å
64R98.3Very high97.4Very high129 Ų12961.2 Ų61.249%0.48732%0.319SS..Hα-helixtrans-67.1-38.7174.1-68.7167.558.6130.8-0.9111.9Q60 H61 N62 D66 L67 G68 L69 E70Q60-R64 WeakPolarHBondContact O-CG 3.45Å; Q60-R64 PolarHBondContact O-N 3.46Å; H61-R64 WeakPolarHBondContact O-CB 3.19Å; H61-R64 PolarHBondContact O-N 3.38Å; H61-R64 VanDerWaalsContact O-N 3.12Å; N62-R64 VanDerWaalsContact C-N 3.32Å; N62-R64 PolarHBondContact O-N 2.54Å; R64-D66 VanDerWaalsContact C-N 3.34Å; R64-L67 PolarHBondContact O-N 2.89Å; R64-G68 PolarHBondContact O-N 2.9Å; R64-L69 HydrophobicContact CB-CB 4.2Å; R64-L69 WeakPolarHBondContact O-CB 3.38Å; R64-L69 PolarHBondContact O-N 3.21Å; R64-E70 HydrophobicContact CB-CG 3.69Å; R64-E70 IonicContact CZ-OE1 2.9Å; R64-E70 IonicContact NE-OE1 2.77Å; R64-E70 PolarHBondContact NE-OE1 2.84Å; R64-E70 IonicContact NH2-OE1 2.84Å; R64-E70 PolarHBondContact NH2-OE1 2.95Å
65H97.9Very high97.4Very high62 Ų6260.8 Ų60.829%0.28732%0.321SS..Hα-helixtrans-58.8-44.9172.3170.8-80.8000111.6H61 N62 L67 G68 E70 Y72 T73H61-H65 PolarHBondContact O-N 3.47Å; N62-H65 WeakPolarHBondContact O-CB 3.46Å; N62-H65 PolarHBondContact O-N 2.92Å; H65-L67 PolarHBondContact O-N 3.16Å; H65-G68 WeakPolarHBondContact O-CA 3.21Å; H65-G68 PolarHBondContact O-N 3.33Å; H65-E70 HydrophobicContact CB-CB 4.07Å; H65-E70 PolarHBondContact CD2-O 3.25Å; H65-Y72 PolarHBondContact CD2-O 3Å; H65-T73 HydrophobicContact CB-CG2 4.34Å
66D97.9Very high97.5Very high123 Ų12363 Ų6366%0.65833%0.331SS*.Hα-helixtrans-64.1-27.2179.3-66-14.2000112.5N62 L63 R64 G68N62-D66 VanDerWaalsContact O-CG 3.23Å; N62-D66 PolarHBondContact O-N 3.39Å; L63-D66 PolarHBondContact O-N 2.98Å; R64-D66 VanDerWaalsContact C-N 3.34Å; D66-G68 VanDerWaalsContact C-N 3.28Å
67L97.9Very high97.6Very high134 Ų13458.4 Ų58.470%0.70231%0.31SS*.THydrogen-bonded Turntrans-82.52.3171.1-64.3172.8000113.8L63 R64 H65 L69L63-L67 WeakPolarHBondContact O-CG 3.47Å; L63-L67 PolarHBondContact O-N 2.78Å; R64-L67 PolarHBondContact O-N 2.89Å; H65-L67 PolarHBondContact O-N 3.16Å; L67-L69 VanDerWaalsContact C-N 3.3Å; L67-L69 HydrophobicContact CB-CD1 4.12Å; L67-L69 HydrophobicContact CB-CG 4.05Å; L67-L69 HydrophobicContact CD1-CD1 4.38Å; L67-L69 PolarHBondContact O-N 2.77Å
68G95.6Very high97.6Very high66 Ų6656.6 Ų56.668%0.6830%0.303SS*.THydrogen-bonded Turntrans74.514.3-178.400000114.8R64 H65 D66R64-G68 PolarHBondContact O-N 2.9Å; H65-G68 WeakPolarHBondContact O-CA 3.21Å; H65-G68 PolarHBondContact O-N 3.33Å; D66-G68 VanDerWaalsContact C-N 3.28Å
69L95.9Very high97.6Very high112 Ų11256.4 Ų56.459%0.58630%0.301SS*.  trans-87.8-18.1-177.3-57.3175000113.2R64 L67R64-L69 HydrophobicContact CB-CB 4.2Å; R64-L69 WeakPolarHBondContact O-CB 3.38Å; R64-L69 PolarHBondContact O-N 3.21Å; L67-L69 VanDerWaalsContact C-N 3.3Å; L67-L69 HydrophobicContact CB-CD1 4.12Å; L67-L69 HydrophobicContact CB-CG 4.05Å; L67-L69 HydrophobicContact CD1-CD1 4.38Å; L67-L69 PolarHBondContact O-N 2.77Å
70E96.4Very high97.6Very high33 Ų3351.7 Ų51.715%0.15428%0.279CS..  trans-123.2140.7178.4-60.2-62.3159.600111.1H61 R64 H65 Y72H61-E70 VanDerWaalsContact CE1-CG 3.5Å; H61-E70 WeakPolarHBondContact CE1-CG 3.39Å; H61-E70 IonicContact CE1-OE2 3.76Å; R64-E70 HydrophobicContact CB-CG 3.69Å; R64-E70 IonicContact CZ-OE1 2.9Å; R64-E70 IonicContact NE-OE1 2.77Å; R64-E70 PolarHBondContact NE-OE1 2.84Å; R64-E70 IonicContact NH2-OE1 2.84Å; R64-E70 PolarHBondContact NH2-OE1 2.95Å; H65-E70 HydrophobicContact CB-CB 4.07Å; H65-E70 PolarHBondContact CD2-O 3.25Å; E70-Y72 VanDerWaalsContact C-N 3.33Å
71G95.6Very high97.6Very high19 Ų1946.8 Ų46.820%0.19626%0.257CS..SBendtrans-82.6-5-18000000115.4I264G71-I264 CarbonylContact C-O 3.43Å; G71-I264 PolarHBondContact O-N 2.88Å
72Y98.2Very high97.6Very high5 Ų546.7 Ų46.72%0.0226%0.257CS..EExtended strand (participates in β ladder)trans-147.7163-173.271.6-80.3000111.4H61 H65 E70 M74 Y260 S262 Y265H61-Y72 AromaticContact CE1-CE1 3.62Å; H61-Y72 AromaticContact CE1-CE2 3.67Å; H61-Y72 AromaticContact CE1-CZ 3.33Å; H61-Y72 AromaticContact NE2-CD2 3.76Å; H61-Y72 AromaticContact NE2-CE1 3.98Å; H61-Y72 AromaticContact NE2-CE2 3.58Å; H61-Y72 AromaticContact NE2-CZ 3.7Å; H61-Y72 PolarHBondContact NE2-O 2.66Å; H65-Y72 PolarHBondContact CD2-O 3Å; E70-Y72 VanDerWaalsContact C-N 3.33Å; Y72-M74 HydrophobicContact CE2-CE 3.81Å; Y72-M74 HydrophobicContact CE2-CG 3.97Å; Y72-M74 WeakPolarHBondContact OH-CE 3.46Å; Y72-Y260 AromaticContact CD2-CD2 3.86Å; Y72-Y260 HydrophobicContact CD2-CD2 3.86Å; Y72-Y260 HydrophobicContact CD2-CE2 4.5Å; Y72-Y260 HydrophobicContact CG-CD2 4.36Å; Y72-S262 CarbonylContact C-O 3.51Å; Y72-S262 VanDerWaalsContact CA-O 3.23Å; Y72-S262 WeakPolarHBondContact CA-O 3.46Å; Y72-S262 VanDerWaalsContact CB-O 3.23Å; Y72-S262 WeakPolarHBondContact CB-O 3.21Å; Y72-Y265 HydrophobicContact CD1-CD2 4.28Å; Y72-Y265 HydrophobicContact CD2-CD2 4.19Å; Y72-Y265 AromaticContact CE1-CD2 3.88Å; Y72-Y265 HydrophobicContact CE1-CD2 3.88Å; Y72-Y265 HydrophobicContact CE1-CE2 4.41Å; Y72-Y265 AromaticContact CE2-CD2 3.78Å; Y72-Y265 HydrophobicContact CE2-CD2 3.78Å; Y72-Y265 HydrophobicContact CE2-CE2 4.31Å; Y72-Y265 HydrophobicContact CG-CD2 4.41Å; Y72-Y265 AromaticContact CZ-CD2 3.6Å; Y72-Y265 AromaticContact CZ-CE2 3.91Å
73T98.6Very high97.4Very high23 Ų2346.6 Ų46.614%0.14126%0.256CS..EExtended strand (participates in β ladder)trans-109.2151.8173.854.20000111.2N62 H65 K261 S262N62-T73 WeakPolarHBondContact OD1-CA 3.34Å; N62-T73 WeakPolarHBondContact OD1-CB 3.42Å; H65-T73 HydrophobicContact CB-CG2 4.34Å; T73-K261 PolarHBondContact O-N 2.89Å; T73-S262 PolarHBondContact N-O 2.66Å; T73-S262 PolarHBondContact O-N 2.9Å; T73-S262 PolarHBondContact OG1-O 3.45Å; T73-S262 PolarHBondContact OG1-OG 3.33Å
74M98.7Very high97.3Very high4 Ų443.6 Ų43.62%0.0224%0.237CC..EExtended strand (participates in β ladder)trans-101.8158.8170.3-64.6-179.5178.400111.1K57 I58 H61 N62 Y72 D256 L259K57-M74 HydrophobicContact CG-SD 4.44Å; I58-M74 HydrophobicContact CB-CB 4.33Å; I58-M74 HydrophobicContact CG1-CB 3.81Å; I58-M74 HydrophobicContact CG2-CB 4.25Å; H61-M74 HydrophobicContact CB-CE 4.3Å; H61-M74 HydrophobicContact CB-CG 4.28Å; H61-M74 HydrophobicContact CB-SD 3.74Å; N62-M74 PolarHBondContact ND2-O 3.22Å; N62-M74 PolarHBondContact OD1-N 2.96Å; Y72-M74 HydrophobicContact CE2-CE 3.81Å; Y72-M74 HydrophobicContact CE2-CG 3.97Å; Y72-M74 WeakPolarHBondContact OH-CE 3.46Å; M74-D256 HydrophobicContact CE-CB 3.44Å; M74-D256 VanDerWaalsContact CE-CB 3.44Å; M74-L259 CarbonylContact C-O 3.46Å; M74-L259 WeakPolarHBondContact CA-O 3.36Å; M74-L259 HydrophobicContact CB-CB 4.02Å; M74-L259 WeakPolarHBondContact CB-O 3.23Å; M74-L259 HydrophobicContact CG-CB 3.99Å; M74-L259 HydrophobicContact SD-CB 3.96Å; M74-L259 HydrophobicContact SD-CD1 3.99Å
75G98.1Very high97.1Very high11 Ų1142.6 Ų42.611%0.11324%0.238CC..  trans-154.8155.5178.700000113.4N77 L259G75-N77 PolarHBondContact O-N 2.95Å; G75-L259 PolarHBondContact N-O 3.49Å
76L97.8Very high97Very high55 Ų5541.3 Ų41.329%0.28823%0.232SC..  trans-66.4132.4174.3-63.9172.9000110.3I27 Y35 F51 V55 I58 C80I27-L76 HydrophobicContact CG2-CD1 4.38Å; Y35-L76 PolarHBondContact OH-O 3.03Å; F51-L76 HydrophobicContact CD2-CD2 4.37Å; F51-L76 HydrophobicContact CE2-CD1 4.01Å; F51-L76 HydrophobicContact CE2-CD2 3.69Å; F51-L76 HydrophobicContact CE2-CG 4.38Å; F51-L76 HydrophobicContact CZ-CD1 3.79Å; F51-L76 HydrophobicContact CZ-CD2 4.12Å; V55-L76 HydrophobicContact CG2-CD1 4.29Å; V55-L76 HydrophobicContact CG2-CD2 3.87Å; I58-L76 HydrophobicContact CD1-CD2 3.52Å; I58-L76 HydrophobicContact CD1-CG 3.95Å; L76-C80 HydrophobicContact CD2-CB 4.17Å
77N97.7Very high96.9Very high4 Ų435.4 Ų35.42%0.02120%0.2CC..  trans-139.8-173.4177.364.650000110.8W31 Y35 G75 F79 C80 I258W31-N77 WeakPolarHBondContact CZ2-O 3.2Å; W31-N77 PolarHBondContact NE1-O 3.23Å; Y35-N77 WeakPolarHBondContact OH-CA 3.44Å; G75-N77 PolarHBondContact O-N 2.95Å; N77-F79 PolarHBondContact O-N 3.13Å; N77-F79 VanDerWaalsContact O-N 3.16Å; N77-F79 WeakPolarHBondContact OD1-CB 3.5Å; N77-F79 VanDerWaalsContact OD1-CD2 3.31Å; N77-F79 WeakPolarHBondContact OD1-CD2 3.34Å; N77-F79 PolarHBondContact OD1-N 3.39Å; N77-C80 PolarHBondContact N-SG 3.36Å; N77-C80 PolarHBondContact O-N 3Å; N77-I258 PolarHBondContact ND2-O 2.81Å
78Q97.5Very high96.7Very high20 Ų2033.5 Ų33.59%0.09319%0.186CC..THydrogen-bonded Turntrans-67.2-9.8-175.368.1-87.414.700115.3Y35 K37 W299 T302Y35-Q78 HydrophobicContact CD1-CB 3.58Å; Y35-Q78 HydrophobicContact CE1-CB 4.07Å; Y35-Q78 HydrophobicContact CG-CB 4.1Å; K37-Q78 WeakPolarHBondContact CE-O 3.42Å; K37-Q78 PolarHBondContact NZ-O 2.86Å; Q78-W299 PolarHBondContact NE2-O 2.92Å; Q78-T302 VanDerWaalsContact CD-OG1 3.29Å; Q78-T302 PolarHBondContact NE2-OG1 2.85Å; Q78-T302 PolarHBondContact OE1-OG1 3.33Å
79F97.6Very high96.6Very high9 Ų934 Ų344%0.03918%0.176CC..THydrogen-bonded Turntrans-99.5-3.6-178.1-50.4-63.7000113.1N77 D81 M82 I87 M91 I258 W299N77-F79 PolarHBondContact O-N 3.13Å; N77-F79 VanDerWaalsContact O-N 3.16Å; N77-F79 WeakPolarHBondContact OD1-CB 3.5Å; N77-F79 VanDerWaalsContact OD1-CD2 3.31Å; N77-F79 WeakPolarHBondContact OD1-CD2 3.34Å; N77-F79 PolarHBondContact OD1-N 3.39Å; F79-D81 PolarHBondContact O-N 2.91Å; F79-M82 PolarHBondContact O-N 3.42Å; F79-I87 HydrophobicContact CB-CD1 4.31Å; F79-M91 HydrophobicContact CD1-CE 4.18Å; F79-M91 HydrophobicContact CD1-SD 3.83Å; F79-M91 HydrophobicContact CE1-CE 3.43Å; F79-M91 VanDerWaalsContact CE1-CE 3.43Å; F79-M91 HydrophobicContact CE1-SD 3.59Å; F79-M91 VanDerWaalsContact CE1-SD 3.59Å; F79-M91 HydrophobicContact CE2-CE 4.28Å; F79-M91 HydrophobicContact CZ-CE 3.5Å; F79-M91 VanDerWaalsContact CZ-CE 3.5Å; F79-M91 HydrophobicContact CZ-SD 4.25Å; F79-I258 HydrophobicContact CB-CG2 3.89Å; F79-I258 HydrophobicContact CD2-CG2 4.17Å; F79-I258 HydrophobicContact CG-CG2 4.36Å; F79-W299 HydrophobicContact CE2-CB 3.88Å; F79-W299 HydrophobicContact CE2-CG 4.23Å; F79-W299 HydrophobicContact CZ-CB 3.95Å; F79-W299 HydrophobicContact CZ-CG 4.26Å
80C97.7Very high96.6Very high0 Ų031.4 Ų31.40%016%0.162CC..THydrogen-bonded Turntrans-68.75.1-176.4-63.60000114.4W31 F51 Y54 L76 N77W31-C80 HydrophobicContact CZ2-CB 4.06Å; F51-C80 WeakPolarHBondContact CA-O 3.47Å; F51-C80 WeakPolarHBondContact CB-O 3.41Å; F51-C80 HydrophobicContact CD2-CB 3.87Å; F51-C80 HydrophobicContact CE2-CB 4.31Å; F51-C80 PolarHBondContact N-O 3.36Å; Y54-C80 HydrophobicContact CD2-CB 4.12Å; Y54-C80 WeakPolarHBondContact CD2-O 3.29Å; L76-C80 HydrophobicContact CD2-CB 4.17Å; N77-C80 PolarHBondContact N-SG 3.36Å; N77-C80 PolarHBondContact O-N 3Å
81D97Very high96.5Very high8 Ų829.9 Ų29.94%0.04316%0.155CC..THydrogen-bonded Turntrans-104.1-1169.562.3-32.5000113.9W28 W31 K37 Y39 R47 I50 F79W28-D81 HydrophobicContact CH2-CB 4.44Å; W31-D81 HydrophobicContact CH2-CB 3.56Å; W31-D81 HydrophobicContact CZ3-CB 4.04Å; K37-D81 IonicContact NZ-OD1 3.24Å; K37-D81 PolarHBondContact NZ-OD1 2.75Å; K37-D81 IonicContact NZ-OD2 2.64Å; K37-D81 PolarHBondContact NZ-OD2 3.49Å; Y39-D81 WeakPolarHBondContact CE1-OD2 3.31Å; Y39-D81 WeakPolarHBondContact OH-CB 3.42Å; Y39-D81 PolarHBondContact OH-OD2 2.84Å; R47-D81 HydrophobicContact CB-CB 4.27Å; R47-D81 WeakPolarHBondContact CD-O 3.4Å; R47-D81 PolarHBondContact NH1-O 3.26Å; I50-D81 WeakPolarHBondContact CD1-O 3.46Å; F79-D81 PolarHBondContact O-N 2.91Å
82M97.4Very high96.4Very high14 Ų1429.1 Ų29.17%0.06915%0.147CC..SBendtrans-111.8134.1-177.9-61.4179.565.500110.4Y54 F79 E86 I87 I90 L136Y54-M82 WeakPolarHBondContact CE2-O 3.42Å; Y54-M82 PolarHBondContact OH-O 2.9Å; Y54-M82 VanDerWaalsContact OH-O 3.13Å; F79-M82 PolarHBondContact O-N 3.42Å; M82-E86 WeakPolarHBondContact CA-OE2 3.31Å; M82-E86 HydrophobicContact CB-CB 4.37Å; M82-E86 HydrophobicContact CE-CB 4.02Å; M82-I87 HydrophobicContact CB-CD1 4.04Å; M82-I87 HydrophobicContact CB-CG1 3.75Å; M82-I87 HydrophobicContact CE-CG1 4.37Å; M82-I90 HydrophobicContact CE-CD1 3.9Å; M82-L136 HydrophobicContact CE-CD2 3.94Å; M82-L136 HydrophobicContact SD-CD2 3.86Å
83D95.7Very high95.8Very high36 Ų3629.1 Ų29.119%0.19315%0.148CC..  trans-72.7164.7173.863.752.8000111.6R46 I50 E85 E86 I87R46-D83 IonicContact CZ-OD2 3.65Å; R46-D83 IonicContact NH2-OD2 3.9Å; R46-D83 PolarHBondContact NH2-OD2 2.83Å; I50-D83 HydrophobicContact CD1-CB 4.23Å; I50-D83 HydrophobicContact CG1-CB 4.37Å; D83-E85 VanDerWaalsContact C-N 3.28Å; D83-E85 PolarHBondContact O-N 2.75Å; D83-E85 PolarHBondContact OD1-N 3.49Å; D83-E86 PolarHBondContact N-OE2 2.84Å; D83-E86 WeakPolarHBondContact O-CB 3.42Å; D83-E86 PolarHBondContact O-N 2.95Å; D83-E86 WeakPolarHBondContact OD1-CG 3.31Å; D83-E86 PolarHBondContact OD1-N 2.84Å; D83-I87 PolarHBondContact O-N 3.47Å
84W95.4Very high94.7Very high49 Ų4933.9 Ų33.919%0.18617%0.166CC..Hα-helixtrans-60.7-36.8-176.3173-122000112.8I87 K88 L92 A253 L254 D255 I258W84-I87 HydrophobicContact CE3-CB 4.22Å; W84-I87 HydrophobicContact CE3-CG2 4.2Å; W84-I87 HydrophobicContact CZ3-CG2 4.03Å; W84-I87 PolarHBondContact O-N 3.22Å; W84-K88 HydrophobicContact CD2-CB 4.27Å; W84-K88 HydrophobicContact CE3-CB 4.49Å; W84-K88 HydrophobicContact CH2-CB 4.4Å; W84-K88 HydrophobicContact CZ2-CB 4.14Å; W84-K88 HydrophobicContact CZ2-CD 4.24Å; W84-K88 HydrophobicContact CZ2-CG 4.34Å; W84-K88 WeakPolarHBondContact O-CB 3.45Å; W84-K88 PolarHBondContact O-N 2.82Å; W84-L92 HydrophobicContact CH2-CD1 3.51Å; W84-L92 HydrophobicContact CZ2-CD1 4.23Å; W84-L92 HydrophobicContact CZ3-CD1 4.12Å; W84-A253 WeakPolarHBondContact CH2-O 3.44Å; W84-L254 VanDerWaalsContact CH2-C 3.48Å; W84-D255 HydrophobicContact CB-CB 4.08Å; W84-D255 HydrophobicContact CD2-CB 3.65Å; W84-D255 HydrophobicContact CE3-CB 3.84Å; W84-D255 HydrophobicContact CG-CB 3.76Å; W84-I258 HydrophobicContact CE3-CG1 4.09Å; W84-I258 HydrophobicContact CZ3-CD1 4.13Å; W84-I258 HydrophobicContact CZ3-CG1 3.63Å
85E95.5Very high93.1Very high107 Ų10735.6 Ų35.650%0.518%0.177SC..Hα-helixtrans-68.3-38179.2-66.5-56.4133.500111.3D83 T89D83-E85 VanDerWaalsContact C-N 3.28Å; D83-E85 PolarHBondContact O-N 2.75Å; D83-E85 PolarHBondContact OD1-N 3.49Å; E85-T89 WeakPolarHBondContact O-CB 3.16Å; E85-T89 PolarHBondContact O-N 3.33Å; E85-T89 PolarHBondContact O-OG1 3.1Å
86E95.7Very high91.4Very high35 Ų3535.7 Ų35.716%0.16417%0.174CC..Hα-helixtrans-59.4-50.5170.1-73.2175.6134.200111.4R46 R47 M82 D83 T89 I90R46-E86 IonicContact CZ-OE1 2.75Å; R46-E86 IonicContact NH1-OE1 3.12Å; R46-E86 PolarHBondContact NH1-OE1 2.92Å; R46-E86 IonicContact NH2-OE1 2.68Å; R46-E86 PolarHBondContact NH2-OE1 3.02Å; R46-E86 IonicContact NH2-OE2 3.87Å; R46-E86 PolarHBondContact NH2-OE2 2.81Å; R47-E86 IonicContact CZ-OE1 2.68Å; R47-E86 IonicContact CZ-OE2 3.93Å; R47-E86 VanDerWaalsContact NH1-CD 3.32Å; R47-E86 IonicContact NH1-OE1 2.77Å; R47-E86 PolarHBondContact NH1-OE1 3.44Å; R47-E86 VanDerWaalsContact NH1-OE1 3.12Å; R47-E86 IonicContact NH1-OE2 3.87Å; R47-E86 PolarHBondContact NH1-OE2 2.97Å; R47-E86 IonicContact NH2-OE1 2.66Å; R47-E86 PolarHBondContact NH2-OE1 3.39Å; R47-E86 IonicContact NH2-OE2 3.82Å; M82-E86 WeakPolarHBondContact CA-OE2 3.31Å; M82-E86 HydrophobicContact CB-CB 4.37Å; M82-E86 HydrophobicContact CE-CB 4.02Å; D83-E86 PolarHBondContact N-OE2 2.84Å; D83-E86 WeakPolarHBondContact O-CB 3.42Å; D83-E86 PolarHBondContact O-N 2.95Å; D83-E86 WeakPolarHBondContact OD1-CG 3.31Å; D83-E86 PolarHBondContact OD1-N 2.84Å; E86-T89 PolarHBondContact O-N 3.41Å; E86-I90 VanDerWaalsContact O-CB 3.31Å; E86-I90 WeakPolarHBondContact O-CB 3.36Å; E86-I90 WeakPolarHBondContact O-CD1 3.22Å; E86-I90 WeakPolarHBondContact O-CG1 3.42Å; E86-I90 PolarHBondContact O-N 2.71Å; E86-I90 VanDerWaalsContact O-N 3.1Å
87I96Very high89.1Confident0 Ų035.7 Ų35.70%019%0.187CC..Hα-helixtrans-62.6-50.8-178.8-68.3157.1000111.1F79 M82 D83 W84 T89 I90 M91 I258F79-I87 HydrophobicContact CB-CD1 4.31Å; M82-I87 HydrophobicContact CB-CD1 4.04Å; M82-I87 HydrophobicContact CB-CG1 3.75Å; M82-I87 HydrophobicContact CE-CG1 4.37Å; D83-I87 PolarHBondContact O-N 3.47Å; W84-I87 HydrophobicContact CE3-CB 4.22Å; W84-I87 HydrophobicContact CE3-CG2 4.2Å; W84-I87 HydrophobicContact CZ3-CG2 4.03Å; W84-I87 PolarHBondContact O-N 3.22Å; I87-T89 VanDerWaalsContact C-N 3.26Å; I87-T89 PolarHBondContact O-N 3.32Å; I87-I90 PolarHBondContact O-N 3.32Å; I87-M91 HydrophobicContact CG2-CB 4.47Å; I87-M91 HydrophobicContact CG2-SD 4.2Å; I87-M91 WeakPolarHBondContact O-CB 3.2Å; I87-M91 PolarHBondContact O-N 3.21Å; I87-I258 HydrophobicContact CD1-CG1 4.48Å; I87-I258 HydrophobicContact CD1-CG2 3.99Å; I87-I258 HydrophobicContact CG2-CD1 3.6Å; I87-I258 HydrophobicContact CG2-CG1 3.98Å
88K93.8Very high86.5Confident94 Ų9442.7 Ų42.741%0.40923%0.225SC..Hα-helixtrans-58.4-39.2-179.7177.6-177.5170.2-168.30111.7W84 L92W84-K88 HydrophobicContact CD2-CB 4.27Å; W84-K88 HydrophobicContact CE3-CB 4.49Å; W84-K88 HydrophobicContact CH2-CB 4.4Å; W84-K88 HydrophobicContact CZ2-CB 4.14Å; W84-K88 HydrophobicContact CZ2-CD 4.24Å; W84-K88 HydrophobicContact CZ2-CG 4.34Å; W84-K88 WeakPolarHBondContact O-CB 3.45Å; W84-K88 PolarHBondContact O-N 2.82Å; K88-L92 HydrophobicContact CB-CD1 4.31Å; K88-L92 HydrophobicContact CG-CD1 4.28Å
89T93.5Very high84.1Confident76 Ų7643.3 Ų43.347%0.46623%0.231SC..Hα-helixtrans-72.9-33.8-179.4-60.20000112.7E85 E86 I87E85-T89 WeakPolarHBondContact O-CB 3.16Å; E85-T89 PolarHBondContact O-N 3.33Å; E85-T89 PolarHBondContact O-OG1 3.1Å; E86-T89 PolarHBondContact O-N 3.41Å; I87-T89 VanDerWaalsContact C-N 3.26Å; I87-T89 PolarHBondContact O-N 3.32Å
90I94.2Very high81.6Confident58 Ų5848.4 Ų48.430%0.29727%0.265SS..Hα-helixtrans-97.6-37.6-169.3-66.5170.1000112.7M82 E86 I87 L136 C137 G138M82-I90 HydrophobicContact CE-CD1 3.9Å; E86-I90 VanDerWaalsContact O-CB 3.31Å; E86-I90 WeakPolarHBondContact O-CB 3.36Å; E86-I90 WeakPolarHBondContact O-CD1 3.22Å; E86-I90 WeakPolarHBondContact O-CG1 3.42Å; E86-I90 PolarHBondContact O-N 2.71Å; E86-I90 VanDerWaalsContact O-N 3.1Å; I87-I90 PolarHBondContact O-N 3.32Å; I90-L136 VanDerWaalsContact CG2-C 3.42Å; I90-L136 HydrophobicContact CG2-CB 3.61Å; I90-L136 HydrophobicContact CG2-CD2 4.12Å; I90-L136 HydrophobicContact CG2-CG 4.4Å; I90-L136 VanDerWaalsContact CG2-O 3.31Å; I90-L136 WeakPolarHBondContact CG2-O 3.14Å; I90-C137 CarbonylContact O-C 3.43Å; I90-C137 WeakPolarHBondContact O-CA 3.45Å; I90-G138 PolarHBondContact O-N 2.78Å
91M95.7Very high79.1Confident0 Ų056 Ų560%031%0.305CS..Hα-helixtrans-110.4-13.9-166.9-64-179.460.600114.5F79 I87 Q134 L136 W299F79-M91 HydrophobicContact CD1-CE 4.18Å; F79-M91 HydrophobicContact CD1-SD 3.83Å; F79-M91 HydrophobicContact CE1-CE 3.43Å; F79-M91 VanDerWaalsContact CE1-CE 3.43Å; F79-M91 HydrophobicContact CE1-SD 3.59Å; F79-M91 VanDerWaalsContact CE1-SD 3.59Å; F79-M91 HydrophobicContact CE2-CE 4.28Å; F79-M91 HydrophobicContact CZ-CE 3.5Å; F79-M91 VanDerWaalsContact CZ-CE 3.5Å; F79-M91 HydrophobicContact CZ-SD 4.25Å; I87-M91 HydrophobicContact CG2-CB 4.47Å; I87-M91 HydrophobicContact CG2-SD 4.2Å; I87-M91 WeakPolarHBondContact O-CB 3.2Å; I87-M91 PolarHBondContact O-N 3.21Å; M91-Q134 PolarHBondContact O-NE2 3.29Å; M91-L136 HydrophobicContact CG-CD2 4.35Å; M91-L136 HydrophobicContact SD-CD2 4.2Å; M91-W299 VanDerWaalsContact CE-CD1 3.47Å; M91-W299 HydrophobicContact CE-CD2 4.4Å; M91-W299 HydrophobicContact CE-CG 4.02Å
92L93.5Very high76.7Confident4 Ų461.9 Ų61.92%0.02133%0.327CS..SBendtrans-104.6153.6-178.5-53.7-174.2000110.6W84 K88 A253 N276 H277 W299W84-L92 HydrophobicContact CH2-CD1 3.51Å; W84-L92 HydrophobicContact CZ2-CD1 4.23Å; W84-L92 HydrophobicContact CZ3-CD1 4.12Å; K88-L92 HydrophobicContact CB-CD1 4.31Å; K88-L92 HydrophobicContact CG-CD1 4.28Å; L92-A253 HydrophobicContact CD1-CB 4.45Å; L92-A253 HydrophobicContact CD2-CB 4.32Å; L92-N276 HydrophobicContact CB-CB 4.41Å; L92-N276 WeakPolarHBondContact CB-O 3.31Å; L92-H277 HydrophobicContact CD2-CB 4.14Å; L92-W299 HydrophobicContact CD2-CZ2 4.15Å
93S85.2Confident74.3Confident5 Ų565.9 Ų65.94%0.03535%0.348CS..  trans-84.1131.5-178.7177.50000110.5V95 F96 G182 G183 N276S93-V95 VanDerWaalsContact C-N 3.35Å; S93-V95 PolarHBondContact OG-N 3.04Å; S93-F96 VanDerWaalsContact CB-CE2 3.42Å; S93-G182 WeakPolarHBondContact OG-CA 3.2Å; S93-G183 PolarHBondContact OG-N 3.05Å; S93-G183 PolarHBondContact OG-O 3.49Å; S93-N276 PolarHBondContact N-O 3.43Å
94K74.9Confident72Confident123 Ų12370.7 Ų70.754%0.53537%0.374SS..SBendtrans-83.1-11.8176.3-61.9172.2-177.2169.50113.3Q181K94-Q181 PolarHBondContact N-O 3.01Å
95V64.9Low69.7Low39 Ų3976.9 Ų76.924%0.23640%0.402CS..  trans-93.7-16.3-161.9-1780000113.7S93 G97 N98 T184S93-V95 VanDerWaalsContact C-N 3.35Å; S93-V95 PolarHBondContact OG-N 3.04Å; V95-G97 PolarHBondContact O-N 3.4Å; V95-G97 VanDerWaalsContact O-N 3.1Å; V95-N98 PolarHBondContact O-N 3.29Å; V95-T184 HydrophobicContact CG1-CG2 4.28Å
96F62.6Low67.8Low14 Ų1476 Ų766%0.06140%0.397CS..G310 helixtrans-61.9-22.5-177.3-74.9-65.3000114.4S93 N98 W141 T184 M185 A250 L275S93-F96 VanDerWaalsContact CB-CE2 3.42Å; F96-N98 PolarHBondContact O-N 3.39Å; F96-W141 HydrophobicContact CZ-CB 4.46Å; F96-T184 HydrophobicContact CD1-CG2 4.11Å; F96-T184 HydrophobicContact CE1-CG2 4.25Å; F96-M185 HydrophobicContact CE1-CE 4.22Å; F96-M185 HydrophobicContact CE1-SD 3.87Å; F96-M185 HydrophobicContact CZ-SD 3.91Å; F96-A250 HydrophobicContact CD1-CB 3.83Å; F96-A250 HydrophobicContact CE1-CB 3.54Å; F96-A250 HydrophobicContact CE2-CB 4.45Å; F96-A250 HydrophobicContact CG-CB 4.44Å; F96-A250 HydrophobicContact CZ-CB 3.88Å; F96-L275 HydrophobicContact CB-CB 4.17Å; F96-L275 WeakPolarHBondContact CB-O 3.25Å; F96-L275 HydrophobicContact CG-CB 4.38Å
97G50.7Low66.1Low55 Ų5581.4 Ų81.457%0.56742%0.422SS*.G310 helixtrans-66-17.1-176.300000115.8V95V95-G97 PolarHBondContact O-N 3.4Å; V95-G97 VanDerWaalsContact O-N 3.1Å
98N41.2Very low64.5Low151 Ų15187.7 Ų87.781%0.80745%0.451SS*.G310 helixtrans-128.614.5-172.7-74-17.2000114.4V95 F96 P100V95-N98 PolarHBondContact O-N 3.29Å; F96-N98 PolarHBondContact O-N 3.39Å; N98-P100 WeakPolarHBondContact O-CD 3.19Å; N98-P100 VanDerWaalsContact O-N 3.13Å
99S47.9Very low63.5Low33 Ų3384.8 Ų84.823%0.23144%0.44CS..SBendtrans-59.4123.7170-167.80000107.2L101S99-L101 PolarHBondContact O-N 3.49Å
100P45.6Very low62.7Low116 Ų11690 Ų9075%0.75346%0.459SS*.  trans-49.7115.2176.4-23.331.5000107N98 W102N98-P100 WeakPolarHBondContact O-CD 3.19Å; N98-P100 VanDerWaalsContact O-N 3.13Å; P100-W102 PolarHBondContact O-N 3.41Å
101L44.4Very low62.1Low159 Ų15988.1 Ų88.183%0.83245%0.45SS*.  trans-5698.9171.5-69.1165.8000105.5S99S99-L101 PolarHBondContact O-N 3.49Å
102W46.6Very low61.6Low132 Ų13290.1 Ų90.150%0.546%0.464SS..  trans65.8121.6156.3-165.1-63.7000116P100 D104 P230 A231P100-W102 PolarHBondContact O-N 3.41Å; W102-D104 VanDerWaalsContact CD1-CA 3.43Å; W102-D104 VanDerWaalsContact CD1-OD1 3.25Å; W102-D104 VanDerWaalsContact NE1-CG 3.29Å; W102-D104 PolarHBondContact NE1-OD1 3Å; W102-P230 VanDerWaalsContact CH2-CA 3.47Å; W102-P230 HydrophobicContact CH2-CB 3.72Å; W102-P230 HydrophobicContact CH2-CG 4.22Å; W102-P230 VanDerWaalsContact CZ3-CA 3.46Å; W102-P230 HydrophobicContact CZ3-CB 4.11Å; W102-A231 HydrophobicContact CE3-CB 4.02Å; W102-A231 HydrophobicContact CZ3-CB 4.01Å
103D47.4Very low61.2Low97 Ų9796.6 Ų96.652%0.51950%0.498SS..  trans-95.2112.1154-176.45000107.8K105 K106D103-K105 PolarHBondContact O-N 3.12Å; D103-K105 VanDerWaalsContact OD1-CB 3.32Å; D103-K105 WeakPolarHBondContact OD1-CB 3.23Å; D103-K105 WeakPolarHBondContact OD1-CG 3.23Å; D103-K105 PolarHBondContact OD1-N 2.87Å; D103-K106 PolarHBondContact O-N 2.85Å
104D47.9Very low61.4Low137 Ų137101.2 Ų101.273%0.73352%0.523SS*.THydrogen-bonded Turntrans-60.3-7179.4-82.5-55.1000113.2W102W102-D104 VanDerWaalsContact CD1-CA 3.43Å; W102-D104 VanDerWaalsContact CD1-OD1 3.25Å; W102-D104 VanDerWaalsContact NE1-CG 3.29Å; W102-D104 PolarHBondContact NE1-OD1 3Å
105K45.5Very low62.1Low179 Ų179101.1 Ų101.178%0.77854%0.535SS*.THydrogen-bonded Turntrans-94.82.8-173.2-60.6-179.6-179.6178.90114.9D103D103-K105 PolarHBondContact O-N 3.12Å; D103-K105 VanDerWaalsContact OD1-CB 3.32Å; D103-K105 WeakPolarHBondContact OD1-CB 3.23Å; D103-K105 WeakPolarHBondContact OD1-CG 3.23Å; D103-K105 PolarHBondContact OD1-N 2.87Å
106K56.7Low63.6Low89 Ų89101.2 Ų101.239%0.38753%0.534SS..SBendtrans-74.3131.5174-72.7-172.6-178.8178.10110.4D103 E108 D228D103-K106 PolarHBondContact O-N 2.85Å; K106-E108 PolarHBondContact O-N 3.45Å; K106-D228 WeakPolarHBondContact CD-OD2 3.31Å; K106-D228 IonicContact NZ-OD2 2.64Å; K106-D228 PolarHBondContact NZ-OD2 3.04Å
107E58.9Low65.2Low148 Ų148102.6 Ų102.669%0.69254%0.544SS*.  trans-49.5109175.5-171.4-179.5-158.500110L109 K225E107-L109 PolarHBondContact O-N 3.32Å; E107-K225 IonicContact OE2-NZ 2.69Å; E107-K225 PolarHBondContact OE2-NZ 2.83Å
108E64.1Low67.4Low132 Ų132104.8 Ų104.862%0.61755%0.551SS**  trans-63.3119.8178.1-166.8178.7175.300108.1K106 E110 K236K106-E108 PolarHBondContact O-N 3.45Å; E108-E110 PolarHBondContact O-N 2.78Å; E108-K236 IonicContact OE1-NZ 2.74Å; E108-K236 PolarHBondContact OE1-NZ 3.4Å
109L72.5Confident70.1Confident33 Ų33103.3 Ų103.317%0.17354%0.537CS..  trans-69.4121.6176.8-170.194.8000108.4E107 L111 V227 Y244 F327 L329E107-L109 PolarHBondContact O-N 3.32Å; L109-L111 HydrophobicContact CD2-CD2 3.93Å; L109-L111 PolarHBondContact O-N 3.38Å; L109-V227 HydrophobicContact CB-CG1 4.23Å; L109-V227 HydrophobicContact CD1-CG2 4.36Å; L109-Y244 HydrophobicContact CD1-CE1 4.19Å; L109-Y244 HydrophobicContact CD2-CD1 4.22Å; L109-Y244 HydrophobicContact CD2-CD2 3.93Å; L109-Y244 HydrophobicContact CD2-CE1 3.59Å; L109-Y244 HydrophobicContact CD2-CE2 3.3Å; L109-Y244 HydrophobicContact CD2-CG 4.36Å; L109-Y244 WeakPolarHBondContact CD2-OH 3.41Å; L109-Y244 HydrophobicContact CG-CE1 4.36Å; L109-Y244 HydrophobicContact CG-CE2 4.47Å; L109-F327 HydrophobicContact CD2-CZ 3.74Å; L109-L329 HydrophobicContact CD1-CD1 4.23Å
110E76.3Confident72.5Confident185 Ų185104.1 Ų104.186%0.86454%0.535SS*.  trans-63.4107.8173.8-69.9-163.6167.300110E108E108-E110 PolarHBondContact O-N 2.78Å
111L82.4Confident75Confident20 Ų2099.1 Ų99.111%0.10550%0.502CS..  trans-89.2130.6172.6-68.1171000108.6L109 K236 K239 A240 Y244L109-L111 HydrophobicContact CD2-CD2 3.93Å; L109-L111 PolarHBondContact O-N 3.38Å; L111-K236 HydrophobicContact CD1-CB 4.24Å; L111-K236 HydrophobicContact CD1-CD 3.54Å; L111-K236 HydrophobicContact CD1-CG 4.48Å; L111-K239 HydrophobicContact CB-CB 4.24Å; L111-K239 HydrophobicContact CB-CD 4.23Å; L111-K239 HydrophobicContact CD1-CB 3.98Å; L111-K239 HydrophobicContact CD2-CB 4.36Å; L111-K239 HydrophobicContact CG-CB 4.43Å; L111-A240 HydrophobicContact CD2-CB 4.37Å; L111-Y244 HydrophobicContact CD2-CD2 4.02Å; L111-Y244 HydrophobicContact CD2-CE2 3.55Å
112S84.6Confident77.6Confident42 Ų4292.9 Ų92.929%0.29447%0.467SS..  trans-55.7145.1176.3-176.20000111D114S112-D114 VanDerWaalsContact C-N 3.29Å; S112-D114 WeakPolarHBondContact OG-CB 3.48Å; S112-D114 PolarHBondContact OG-N 3.1Å; S112-D114 VanDerWaalsContact OG-N 3.09Å; S112-D114 PolarHBondContact OG-OD2 3.3Å
113N85Confident80.1Confident139 Ų13991.1 Ų91.174%0.74346%0.461SS*.  trans-91.18.6171.8-72.6-40.4000112.7K239N113-K239 PolarHBondContact OD1-NZ 3.2Å
114D88.3Confident82.5Confident102 Ų10292.3 Ų92.355%0.54547%0.467SS..SBendtrans-58.4145175.6-64.7-38.8000111.3S112 L116S112-D114 VanDerWaalsContact C-N 3.29Å; S112-D114 WeakPolarHBondContact OG-CB 3.48Å; S112-D114 PolarHBondContact OG-N 3.1Å; S112-D114 VanDerWaalsContact OG-N 3.09Å; S112-D114 PolarHBondContact OG-OD2 3.3Å; D114-L116 PolarHBondContact O-N 3.48Å
115P91.1Very high84.8Confident122 Ų12290.2 Ų90.279%0.79245%0.452SS*.PPolyproline II helixtrans-56.3125.8173.7-24.834000111.8
116L95.6Very high87.2Confident41 Ų4183.4 Ų83.422%0.21543%0.434CS..PPolyproline II helixtrans-77.4145.2174.3-61.3-177.3000110.9D114 Q238 K239 Y242D114-L116 PolarHBondContact O-N 3.48Å; L116-Q238 HydrophobicContact CD1-CB 4Å; L116-Q238 HydrophobicContact CD1-CG 3.72Å; L116-K239 HydrophobicContact CD1-CB 4.49Å; L116-K239 HydrophobicContact CD1-CG 3.8Å; L116-K239 HydrophobicContact CD2-CG 4.37Å; L116-K239 HydrophobicContact CG-CG 4.35Å; L116-Y242 HydrophobicContact CD2-CD1 3.35Å; L116-Y242 HydrophobicContact CD2-CE1 4.07Å; L116-Y242 HydrophobicContact CD2-CG 3.82Å
117P97.2Very high89.1Confident43 Ų4379.3 Ų79.328%0.27942%0.416SS..PPolyproline II helixtrans-62153170.527.8-34000110.1K119 W120 Y242 Y284P117-K119 PolarHBondContact O-N 3.04Å; P117-W120 HydrophobicContact CG-CE3 3.91Å; P117-Y242 HydrophobicContact CG-CD2 3.87Å; P117-Y242 HydrophobicContact CG-CE2 3.52Å; P117-Y284 WeakPolarHBondContact O-CE2 3.37Å; P117-Y284 PolarHBondContact O-OH 3.44Å; P117-Y284 VanDerWaalsContact O-OH 3.07Å
118S96Very high91Very high101 Ų10173.1 Ų73.171%0.70639%0.388SS*.SBendtrans-69.9-20.3-179.860.30000113.8
119K98.2Very high92.6Very high120 Ų12067 Ų6752%0.52236%0.36SS..  trans-141.3139.7176.7-177-176.1176.3-170.20109.5P117 Y284P117-K119 PolarHBondContact O-N 3.04Å; K119-Y284 WeakPolarHBondContact CA-O 3.47Å; K119-Y284 WeakPolarHBondContact CG-O 3.4Å
120W98.5Very high93.9Very high50 Ų5070.3 Ų70.319%0.18938%0.384CS..EExtended strand (participates in β ladder)trans-146141.8173-169-103.8000110.3P117 W122 H125 Y242 G283 Y284P117-W120 HydrophobicContact CG-CE3 3.91Å; W120-W122 AromaticContact CD1-CD1 3.91Å; W120-W122 AromaticContact CD1-NE1 3.73Å; W120-W122 HydrophobicContact CZ2-CH2 4.18Å; W120-W122 HydrophobicContact CZ2-CZ2 4.3Å; W120-W122 HydrophobicContact CZ2-CZ3 4.38Å; W120-W122 AromaticContact NE1-CD1 3.78Å; W120-W122 AromaticContact NE1-CD2 3.56Å; W120-W122 AromaticContact NE1-CE2 3.21Å; W120-W122 AromaticContact NE1-CG 3.91Å; W120-W122 AromaticContact NE1-CZ2 3.61Å; W120-W122 AromaticContact NE1-NE1 3.35Å; W120-H125 AromaticContact CE2-CD2 3.94Å; W120-H125 AromaticContact CE2-NE2 3.84Å; W120-H125 AromaticContact CH2-CE1 3.66Å; W120-H125 AromaticContact CH2-NE2 3.45Å; W120-H125 WeakPolarHBondContact CH2-NE2 3.33Å; W120-H125 AromaticContact CZ2-CD2 3.73Å; W120-H125 AromaticContact CZ2-NE2 3.52Å; W120-H125 AromaticContact CZ3-NE2 3.7Å; W120-Y242 HydrophobicContact CB-CD2 4.45Å; W120-Y242 AromaticContact CD2-CD2 3.54Å; W120-Y242 HydrophobicContact CD2-CD2 3.54Å; W120-Y242 AromaticContact CD2-CE2 3.71Å; W120-Y242 HydrophobicContact CD2-CE2 3.71Å; W120-Y242 AromaticContact CE2-CD2 3.76Å; W120-Y242 AromaticContact CE2-CE2 3.95Å; W120-Y242 AromaticContact CE3-CD2 3.81Å; W120-Y242 HydrophobicContact CE3-CD2 3.81Å; W120-Y242 AromaticContact CE3-CE2 3.49Å; W120-Y242 HydrophobicContact CE3-CE2 3.49Å; W120-Y242 VanDerWaalsContact CE3-CE2 3.49Å; W120-Y242 AromaticContact CG-CD2 3.85Å; W120-Y242 HydrophobicContact CG-CD2 3.85Å; W120-Y242 HydrophobicContact CG-CE2 4.46Å; W120-Y242 HydrophobicContact CH2-CD2 4.4Å; W120-Y242 AromaticContact CH2-CE2 3.76Å; W120-Y242 HydrophobicContact CH2-CE2 3.76Å; W120-Y242 HydrophobicContact CZ2-CD2 4.18Å; W120-Y242 AromaticContact CZ2-CE2 3.98Å; W120-Y242 HydrophobicContact CZ2-CE2 3.98Å; W120-Y242 HydrophobicContact CZ3-CD2 4.24Å; W120-Y242 AromaticContact CZ3-CE2 3.53Å; W120-Y242 HydrophobicContact CZ3-CE2 3.53Å; W120-G283 CarbonylContact O-C 3.57Å; W120-G283 WeakPolarHBondContact O-CA 3.48Å; W120-Y284 HydrophobicContact CB-CD1 4.31Å; W120-Y284 HydrophobicContact CB-CE1 3.74Å; W120-Y284 HydrophobicContact CB-CE2 4.13Å; W120-Y284 PolarHBondContact N-O 3.22Å; W120-Y284 PolarHBondContact O-N 3.49Å; W120-Y284 VanDerWaalsContact O-O 3.13Å
121D98.6Very high94.9Very high10 Ų1062.6 Ų62.65%0.05335%0.349CS..EExtended strand (participates in β ladder)trans-146.4106.6-179.5-169.9-21.5000110.8R123 D124 H125 L294D121-R123 PolarHBondContact O-N 3.4Å; D121-R123 WeakPolarHBondContact OD1-CB 3.48Å; D121-R123 WeakPolarHBondContact OD1-CG 3.36Å; D121-R123 IonicContact OD1-CZ 3.33Å; D121-R123 PolarHBondContact OD1-N 3.36Å; D121-R123 IonicContact OD1-NE 3.89Å; D121-R123 PolarHBondContact OD1-NE 3.05Å; D121-R123 IonicContact OD2-CZ 2.89Å; D121-R123 VanDerWaalsContact OD2-CZ 3.24Å; D121-R123 IonicContact OD2-NE 3.65Å; D121-R123 PolarHBondContact OD2-NE 3.35Å; D121-R123 IonicContact OD2-NH2 2.66Å; D121-R123 PolarHBondContact OD2-NH2 3.3Å; D121-D124 WeakPolarHBondContact O-CB 3.4Å; D121-D124 PolarHBondContact O-N 3.49Å; D121-H125 PolarHBondContact O-CD2 2.94Å; D121-L294 WeakPolarHBondContact OD2-CD2 3.18Å
122W98.6Very high95.7Very high29 Ų2963.4 Ų63.411%0.1135%0.352CS..G310 helixtrans-63.6-14.1-178.1-81.2113.6000114.6W120 D124 H125 G126 A127 V128 L241 Y242 G245 P246 V282W120-W122 AromaticContact CD1-CD1 3.91Å; W120-W122 AromaticContact CD1-NE1 3.73Å; W120-W122 HydrophobicContact CZ2-CH2 4.18Å; W120-W122 HydrophobicContact CZ2-CZ2 4.3Å; W120-W122 HydrophobicContact CZ2-CZ3 4.38Å; W120-W122 AromaticContact NE1-CD1 3.78Å; W120-W122 AromaticContact NE1-CD2 3.56Å; W120-W122 AromaticContact NE1-CE2 3.21Å; W120-W122 AromaticContact NE1-CG 3.91Å; W120-W122 AromaticContact NE1-CZ2 3.61Å; W120-W122 AromaticContact NE1-NE1 3.35Å; W122-D124 VanDerWaalsContact C-N 3.32Å; W122-H125 HydrophobicContact CE3-CB 3.83Å; W122-H125 HydrophobicContact CZ3-CB 4.13Å; W122-H125 PolarHBondContact O-N 2.78Å; W122-G126 PolarHBondContact O-N 3.41Å; W122-A127 HydrophobicContact CB-CB 4.22Å; W122-A127 HydrophobicContact CD2-CB 4.17Å; W122-A127 HydrophobicContact CE3-CB 3.52Å; W122-A127 HydrophobicContact CG-CB 4.49Å; W122-A127 HydrophobicContact CZ3-CB 4.23Å; W122-A127 PolarHBondContact O-N 3.45Å; W122-A127 VanDerWaalsContact O-N 3.11Å; W122-V128 HydrophobicContact CB-CG2 3.7Å; W122-L241 PolarHBondContact NE1-O 3.02Å; W122-Y242 VanDerWaalsContact CZ2-O 3.31Å; W122-Y242 WeakPolarHBondContact CZ2-O 3.42Å; W122-G245 VanDerWaalsContact CE2-CA 3.41Å; W122-G245 VanDerWaalsContact NE1-C 3.32Å; W122-P246 HydrophobicContact CB-CG 4.01Å; W122-P246 HydrophobicContact CG-CG 4.06Å; W122-V282 VanDerWaalsContact CB-O 3.32Å; W122-V282 WeakPolarHBondContact CB-O 3.48Å; W122-V282 VanDerWaalsContact CD1-O 3.27Å; W122-V282 PolarHBondContact N-O 3.28Å
123R98.1Very high96.3Very high95 Ų9565 Ų6536%0.35836%0.357SS..G310 helixtrans-66-38.4172.7-57.8176.6-61.8172.76.7111D121 H125 G126 V128 Y308D121-R123 PolarHBondContact O-N 3.4Å; D121-R123 WeakPolarHBondContact OD1-CB 3.48Å; D121-R123 WeakPolarHBondContact OD1-CG 3.36Å; D121-R123 IonicContact OD1-CZ 3.33Å; D121-R123 PolarHBondContact OD1-N 3.36Å; D121-R123 IonicContact OD1-NE 3.89Å; D121-R123 PolarHBondContact OD1-NE 3.05Å; D121-R123 IonicContact OD2-CZ 2.89Å; D121-R123 VanDerWaalsContact OD2-CZ 3.24Å; D121-R123 IonicContact OD2-NE 3.65Å; D121-R123 PolarHBondContact OD2-NE 3.35Å; D121-R123 IonicContact OD2-NH2 2.66Å; D121-R123 PolarHBondContact OD2-NH2 3.3Å; R123-H125 PolarHBondContact O-N 3.19Å; R123-H125 VanDerWaalsContact O-N 3.15Å; R123-G126 PolarHBondContact O-N 3.19Å; R123-V128 HydrophobicContact CG-CB 4.05Å; R123-V128 HydrophobicContact CG-CG1 4.28Å; R123-V128 HydrophobicContact CG-CG2 4.06Å; R123-Y308 HydrophobicContact CG-CE1 4.44Å
124D97.7Very high97Very high121 Ų12158.3 Ų58.365%0.64732%0.321SS*.G310 helixtrans-69.5-10.7179-61.2-19.2000112.1D121 W122D121-D124 WeakPolarHBondContact O-CB 3.4Å; D121-D124 PolarHBondContact O-N 3.49Å; W122-D124 VanDerWaalsContact C-N 3.32Å
125H96.5Very high97.4Very high93 Ų9354.7 Ų54.743%0.43131%0.308SS..G310 helixtrans-113.310.6179.4-57.5-73.9000113.2W120 D121 W122 R123 A127W120-H125 AromaticContact CE2-CD2 3.94Å; W120-H125 AromaticContact CE2-NE2 3.84Å; W120-H125 AromaticContact CH2-CE1 3.66Å; W120-H125 AromaticContact CH2-NE2 3.45Å; W120-H125 WeakPolarHBondContact CH2-NE2 3.33Å; W120-H125 AromaticContact CZ2-CD2 3.73Å; W120-H125 AromaticContact CZ2-NE2 3.52Å; W120-H125 AromaticContact CZ3-NE2 3.7Å; D121-H125 PolarHBondContact O-CD2 2.94Å; W122-H125 HydrophobicContact CE3-CB 3.83Å; W122-H125 HydrophobicContact CZ3-CB 4.13Å; W122-H125 PolarHBondContact O-N 2.78Å; R123-H125 PolarHBondContact O-N 3.19Å; R123-H125 VanDerWaalsContact O-N 3.15Å; H125-A127 PolarHBondContact O-N 2.92Å
126G96Very high97.6Very high37 Ų3753.8 Ų53.838%0.38130%0.296SS..THydrogen-bonded Turntrans66.220.1176.500000114.8W122 R123W122-G126 PolarHBondContact O-N 3.41Å; R123-G126 PolarHBondContact O-N 3.19Å
127A97.1Very high97.7Very high3 Ų351.9 Ų51.93%0.02529%0.286CS..  trans-97.511.4-17700000113.8W122 H125 V154W122-A127 HydrophobicContact CB-CB 4.22Å; W122-A127 HydrophobicContact CD2-CB 4.17Å; W122-A127 HydrophobicContact CE3-CB 3.52Å; W122-A127 HydrophobicContact CG-CB 4.49Å; W122-A127 HydrophobicContact CZ3-CB 4.23Å; W122-A127 PolarHBondContact O-N 3.45Å; W122-A127 VanDerWaalsContact O-N 3.11Å; H125-A127 PolarHBondContact O-N 2.92Å; A127-V154 HydrophobicContact CB-CB 4.17Å; A127-V154 HydrophobicContact CB-CG1 3.99Å
128V98.4Very high97.6Very high17 Ų1749.8 Ų49.810%0.10327%0.272CS..SBendtrans-133.3121.5-176.2-174.40000109.1W122 R123 P246 V282 K296W122-V128 HydrophobicContact CB-CG2 3.7Å; R123-V128 HydrophobicContact CG-CB 4.05Å; R123-V128 HydrophobicContact CG-CG1 4.28Å; R123-V128 HydrophobicContact CG-CG2 4.06Å; V128-P246 HydrophobicContact CG2-CG 4.01Å; V128-V282 HydrophobicContact CG1-CG1 4.07Å; V128-V282 HydrophobicContact CG2-CB 4.02Å; V128-V282 HydrophobicContact CG2-CG1 3.82Å; V128-K296 HydrophobicContact CG1-CD 3.66Å
129T98.4Very high97.7Very high4 Ų445 Ų453%0.02524%0.239CC..PPolyproline II helixtrans-69.4166.9174.357.80000111.4E150 L160 K296T129-E150 WeakPolarHBondContact CB-OE2 3.41Å; T129-E150 HydrophobicContact CG2-CB 4.32Å; T129-E150 HydrophobicContact CG2-CG 4.1Å; T129-E150 WeakPolarHBondContact CG2-OE2 3.34Å; T129-E150 PolarHBondContact OG1-OE2 2.81Å; T129-L160 HydrophobicContact CG2-CD1 3.55Å; T129-L160 HydrophobicContact CG2-CG 4.04Å; T129-K296 WeakPolarHBondContact O-CE 3.17Å; T129-K296 PolarHBondContact O-NZ 3.46Å; T129-K296 PolarHBondContact OG1-NZ 2.93Å
130P98.4Very high97.7Very high103 Ų10339.3 Ų39.367%0.66921%0.214SC*.PPolyproline II helixtrans-53.1155.4171-27.636.6000113.4K296P130-K296 WeakPolarHBondContact O-CE 3.25Å; P130-K296 PolarHBondContact O-NZ 2.98Å
131V98.8Very high97.7Very high23 Ų2336.9 Ų36.914%0.13921%0.205CC..PPolyproline II helixtrans-65.2134.2172.9166.40000109.6K296 T301 Y308V131-K296 HydrophobicContact CG2-CG 4.18Å; V131-T301 HydrophobicContact CB-CG2 3.86Å; V131-T301 HydrophobicContact CG1-CG2 4.06Å; V131-Y308 HydrophobicContact CG2-CD2 3.99Å; V131-Y308 HydrophobicContact CG2-CE2 3.38Å
132K98.5Very high97.7Very high36 Ų3636.4 Ų36.416%0.15720%0.202CC..  trans-107.4179.2175.6-59.9-179.7-179.9176.80110.8F143 E150 S162 L163 E165 S298 G300K132-F143 HydrophobicContact CB-CD1 3.91Å; K132-F143 HydrophobicContact CB-CE1 3.54Å; K132-F143 HydrophobicContact CD-CD1 4.1Å; K132-F143 HydrophobicContact CD-CE1 3.84Å; K132-F143 HydrophobicContact CG-CE1 4.36Å; K132-E150 IonicContact NZ-OE1 3.37Å; K132-S162 WeakPolarHBondContact CE-OG 3.42Å; K132-S162 PolarHBondContact NZ-OG 2.85Å; K132-S162 VanDerWaalsContact NZ-OG 3.08Å; K132-L163 PolarHBondContact NZ-O 2.84Å; K132-E165 WeakPolarHBondContact CD-OE1 3.37Å; K132-E165 WeakPolarHBondContact CD-OE2 3.47Å; K132-E165 WeakPolarHBondContact CE-OE1 3.45Å; K132-E165 IonicContact NZ-OE1 3.22Å; K132-E165 PolarHBondContact NZ-OE1 3.37Å; K132-E165 IonicContact NZ-OE2 2.94Å; K132-E165 PolarHBondContact NZ-OE2 3.25Å; K132-S298 CarbonylContact O-C 3.45Å; K132-G300 WeakPolarHBondContact O-CA 3.49Å; K132-G300 PolarHBondContact O-N 3.08Å
133N98.3Very high97.7Very high75 Ų7535.9 Ų35.940%0.40120%0.201SC..BIsolated β-bridgetrans-134115.2-179.3-170.6-5.8000110.6G135 Y205 S298N133-G135 PolarHBondContact O-N 3.11Å; N133-G135 PolarHBondContact OD1-N 3.26Å; N133-Y205 WeakPolarHBondContact O-CE1 3.47Å; N133-S298 CarbonylContact C-O 3.11Å; N133-S298 WeakPolarHBondContact CA-O 3.37Å
134Q98.3Very high97.7Very high0 Ų031.5 Ų31.50%018%0.184CC..  trans-71.4-13.2175.574.8-173.184.800112.9M91 C137 F143 Y205 S298 W299M91-Q134 PolarHBondContact O-NE2 3.29Å; Q134-C137 PolarHBondContact NE2-O 2.04Å; Q134-F143 HydrophobicContact CB-CD2 3.8Å; Q134-F143 HydrophobicContact CB-CE2 3.33Å; Q134-F143 HydrophobicContact CB-CZ 3.95Å; Q134-Y205 WeakPolarHBondContact CA-OH 3.39Å; Q134-Y205 PolarHBondContact O-OH 2.79Å; Q134-S298 WeakPolarHBondContact CG-O 3.49Å; Q134-S298 PolarHBondContact N-O 2.9Å; Q134-S298 PolarHBondContact OE1-OG 2.82Å; Q134-W299 VanDerWaalsContact OE1-CD1 3.27Å
135G96.2Very high97.7Very high25 Ų2525.7 Ų25.726%0.25815%0.154SC..  trans59.6-140-17700000112.3N133 C137N133-G135 PolarHBondContact O-N 3.11Å; N133-G135 PolarHBondContact OD1-N 3.26Å; G135-C137 VanDerWaalsContact C-N 3.31Å; G135-C137 PolarHBondContact O-N 2.83Å
136L95.6Very high97.8Very high103 Ų10321.3 Ų21.354%0.53913%0.133SC..SBendtrans-95.453.6-177.8-63.9-175000111.3M82 I90 M91M82-L136 HydrophobicContact CE-CD2 3.94Å; M82-L136 HydrophobicContact SD-CD2 3.86Å; I90-L136 VanDerWaalsContact CG2-C 3.42Å; I90-L136 HydrophobicContact CG2-CB 3.61Å; I90-L136 HydrophobicContact CG2-CD2 4.12Å; I90-L136 HydrophobicContact CG2-CG 4.4Å; I90-L136 VanDerWaalsContact CG2-O 3.31Å; I90-L136 WeakPolarHBondContact CG2-O 3.14Å; M91-L136 HydrophobicContact CG-CD2 4.35Å; M91-L136 HydrophobicContact SD-CD2 4.2Å
137C97.4Very high98Very high1 Ų119.7 Ų19.71%0.00712%0.116CC..SBendtrans-141.2137-179.5171.40000109.8I90 Q134 G135 S139 C180 G207I90-C137 CarbonylContact O-C 3.43Å; I90-C137 WeakPolarHBondContact O-CA 3.45Å; Q134-C137 PolarHBondContact NE2-O 2.04Å; G135-C137 VanDerWaalsContact C-N 3.31Å; G135-C137 PolarHBondContact O-N 2.83Å; C137-S139 PolarHBondContact O-N 3.44Å; C137-S139 VanDerWaalsContact SG-CB 3.5Å; C137-S139 PolarHBondContact SG-OG 2.93Å; C137-C180 HydrophobicContact CB-CB 3.97Å; C137-C180 WeakPolarHBondContact CB-SG 3.38Å; C137-C180 WeakPolarHBondContact SG-CA 3.32Å; C137-C180 WeakPolarHBondContact SG-CB 3.39Å; C137-C180 CovalentContact SG-SG 2.04Å; C137-C180 PolarHBondContact SG-SG 3.03Å; C137-G207 WeakPolarHBondContact CB-O 3.49Å
138G96.6Very high98.1Very high0 Ų019.5 Ų19.50%012%0.115CC..SBendtrans-75.431.2-179.400000114.4I90 C140 W141 C180I90-G138 PolarHBondContact O-N 2.78Å; G138-C140 PolarHBondContact O-N 3.37Å; G138-W141 VanDerWaalsContact O-CD1 3.24Å; G138-W141 PolarHBondContact O-NE1 2.9Å; G138-C180 WeakPolarHBondContact CA-O 3.16Å; G138-C180 PolarHBondContact N-O 2.85Å
139S97.8Very high98.1Very high0 Ų018.8 Ų18.80%011%0.111CC..  trans-90.819.2-172.766.40000114.8C137 W141 A142 F143 Y205C137-S139 PolarHBondContact O-N 3.44Å; C137-S139 VanDerWaalsContact SG-CB 3.5Å; C137-S139 PolarHBondContact SG-OG 2.93Å; S139-W141 PolarHBondContact O-N 3.05Å; S139-W141 VanDerWaalsContact O-N 3.12Å; S139-A142 WeakPolarHBondContact O-CB 3.47Å; S139-A142 PolarHBondContact O-N 2.64Å; S139-F143 WeakPolarHBondContact O-CD2 3.33Å; S139-F143 PolarHBondContact O-N 2.79Å; S139-F143 WeakPolarHBondContact OG-CE2 3.36Å; S139-Y205 PolarHBondContact OG-OH 2.94Å
140C98.1Very high98.1Very high0 Ų018.7 Ų18.70%011%0.11CC..Hα-helixtrans-50.8-36.1-179.956.20000113.6G138 A142 F143 S144 H277 G278G138-C140 PolarHBondContact O-N 3.37Å; C140-A142 VanDerWaalsContact C-N 3.31Å; C140-A142 PolarHBondContact O-N 2.95Å; C140-F143 PolarHBondContact O-N 3.03Å; C140-S144 PolarHBondContact O-N 2.7Å; C140-H277 VanDerWaalsContact CB-CE1 3.41Å; C140-H277 WeakPolarHBondContact CB-CE1 3.31Å; C140-H277 VanDerWaalsContact CB-ND1 3.3Å; C140-H277 WeakPolarHBondContact CB-ND1 3.35Å; C140-G278 WeakPolarHBondContact CB-O 3.28Å; C140-G278 PolarHBondContact SG-N 2.61Å
141W97.5Very high98.1Very high0 Ų013.9 Ų13.90%08%0.079CC..Hα-helixtrans-57.1-39.3174.257.5-94.4000113F96 G138 S139 S144 A145 L168 V169 N177 G179 G182 G183 M185 S188F96-W141 HydrophobicContact CZ-CB 4.46Å; G138-W141 VanDerWaalsContact O-CD1 3.24Å; G138-W141 PolarHBondContact O-NE1 2.9Å; S139-W141 PolarHBondContact O-N 3.05Å; S139-W141 VanDerWaalsContact O-N 3.12Å; W141-S144 PolarHBondContact O-N 3.39Å; W141-A145 WeakPolarHBondContact O-CB 3.35Å; W141-A145 PolarHBondContact O-N 3.45Å; W141-L168 HydrophobicContact CH2-CB 4.24Å; W141-L168 HydrophobicContact CZ3-CB 3.85Å; W141-V169 HydrophobicContact CH2-CG2 4.49Å; W141-V169 HydrophobicContact CZ2-CG2 4.34Å; W141-N177 HydrophobicContact CH2-CB 3.66Å; W141-N177 HydrophobicContact CZ2-CB 3.99Å; W141-N177 HydrophobicContact CZ3-CB 4.01Å; W141-N177 VanDerWaalsContact CZ3-CG 3.47Å; W141-N177 WeakPolarHBondContact CZ3-ND2 3.43Å; W141-G179 WeakPolarHBondContact CZ2-O 3.43Å; W141-G179 PolarHBondContact NE1-O 2.71Å; W141-G182 PolarHBondContact NE1-O 3.41Å; W141-G183 WeakPolarHBondContact CB-O 3.46Å; W141-G183 VanDerWaalsContact CG-C 3.47Å; W141-M185 HydrophobicContact CB-SD 4.45Å; W141-S188 VanDerWaalsContact CZ3-OG 3.24Å; W141-S188 WeakPolarHBondContact CZ3-OG 3.5Å
142A98.5Very high98Very high0 Ų013.1 Ų13.10%07%0.074CC..Hα-helixtrans-68.5-42178.900000110.9S139 C140 A145 A146 E165 L168 V169S139-A142 WeakPolarHBondContact O-CB 3.47Å; S139-A142 PolarHBondContact O-N 2.64Å; C140-A142 VanDerWaalsContact C-N 3.31Å; C140-A142 PolarHBondContact O-N 2.95Å; A142-A145 PolarHBondContact O-N 2.64Å; A142-A146 VanDerWaalsContact O-CB 3.24Å; A142-A146 WeakPolarHBondContact O-CB 3.41Å; A142-A146 PolarHBondContact O-N 2.99Å; A142-E165 HydrophobicContact CB-CB 4.05Å; A142-E165 HydrophobicContact CB-CG 4.36Å; A142-L168 HydrophobicContact CB-CB 3.93Å; A142-L168 HydrophobicContact CB-CD1 4.13Å; A142-V169 HydrophobicContact CB-CG2 4.17Å
143F98.8Very high98Very high18 Ų1811.7 Ų11.78%0.0797%0.068CC..Hα-helixtrans-64.4-42.2175.9-73.8-87.7000112.2K132 Q134 S139 C140 G147 E165 Y205K132-F143 HydrophobicContact CB-CD1 3.91Å; K132-F143 HydrophobicContact CB-CE1 3.54Å; K132-F143 HydrophobicContact CD-CD1 4.1Å; K132-F143 HydrophobicContact CD-CE1 3.84Å; K132-F143 HydrophobicContact CG-CE1 4.36Å; Q134-F143 HydrophobicContact CB-CD2 3.8Å; Q134-F143 HydrophobicContact CB-CE2 3.33Å; Q134-F143 HydrophobicContact CB-CZ 3.95Å; S139-F143 WeakPolarHBondContact O-CD2 3.33Å; S139-F143 PolarHBondContact O-N 2.79Å; S139-F143 WeakPolarHBondContact OG-CE2 3.36Å; C140-F143 PolarHBondContact O-N 3.03Å; F143-G147 PolarHBondContact O-N 2.83Å; F143-E165 HydrophobicContact CB-CG 4.22Å; F143-E165 HydrophobicContact CD1-CB 4.49Å; F143-E165 HydrophobicContact CD1-CG 3.55Å; F143-E165 HydrophobicContact CD2-CB 4.41Å; F143-E165 HydrophobicContact CD2-CG 4.01Å; F143-E165 HydrophobicContact CE1-CB 4.29Å; F143-E165 HydrophobicContact CE1-CG 3.73Å; F143-E165 HydrophobicContact CE2-CB 4.2Å; F143-E165 HydrophobicContact CE2-CG 4.17Å; F143-E165 HydrophobicContact CG-CG 3.68Å; F143-E165 HydrophobicContact CZ-CB 4.14Å; F143-E165 HydrophobicContact CZ-CG 4.05Å; F143-Y205 HydrophobicContact CE2-CD2 4.41Å; F143-Y205 HydrophobicContact CE2-CE1 4.2Å; F143-Y205 AromaticContact CE2-CE2 3.74Å; F143-Y205 HydrophobicContact CE2-CE2 3.74Å; F143-Y205 AromaticContact CE2-CZ 3.61Å; F143-Y205 HydrophobicContact CZ-CD1 4.01Å; F143-Y205 AromaticContact CZ-CD2 4Å; F143-Y205 HydrophobicContact CZ-CD2 4Å; F143-Y205 AromaticContact CZ-CE1 3.74Å; F143-Y205 HydrophobicContact CZ-CE1 3.74Å; F143-Y205 AromaticContact CZ-CE2 3.73Å; F143-Y205 HydrophobicContact CZ-CE2 3.73Å; F143-Y205 HydrophobicContact CZ-CG 4.13Å; F143-Y205 AromaticContact CZ-CZ 3.58Å
144S98.7Very high97.9Very high2 Ų28.9 Ų8.91%0.0145%0.054CC..Hα-helixtrans-62.2-50.4175.4-179.20000110.9C140 W141 G147 A148 S248 V279C140-S144 PolarHBondContact O-N 2.7Å; W141-S144 PolarHBondContact O-N 3.39Å; S144-G147 PolarHBondContact O-N 2.99Å; S144-A148 PolarHBondContact O-N 2.93Å; S144-S248 PolarHBondContact O-OG 3.01Å; S144-S248 WeakPolarHBondContact OG-CA 3.09Å; S144-S248 VanDerWaalsContact OG-CB 3.24Å; S144-S248 WeakPolarHBondContact OG-CB 3.4Å; S144-S248 PolarHBondContact OG-OG 3.45Å; S144-V279 WeakPolarHBondContact CB-O 3.49Å; S144-V279 PolarHBondContact OG-O 2.72Å
145A98.6Very high97.7Very high0 Ų012.7 Ų12.70%07%0.07CC..Hα-helixtrans-62.2-49.4-179.400000112.4W141 A142 G147 A148 V149 L168 M185 F189W141-A145 WeakPolarHBondContact O-CB 3.35Å; W141-A145 PolarHBondContact O-N 3.45Å; A142-A145 PolarHBondContact O-N 2.64Å; A145-G147 VanDerWaalsContact C-N 3.3Å; A145-G147 PolarHBondContact O-N 3.43Å; A145-A148 PolarHBondContact O-N 3.47Å; A145-V149 WeakPolarHBondContact O-CG2 3.36Å; A145-V149 PolarHBondContact O-N 2.04Å; A145-V149 VanDerWaalsContact O-N 3.09Å; A145-L168 HydrophobicContact CB-CD1 4.13Å; A145-M185 HydrophobicContact CB-CB 4.18Å; A145-M185 HydrophobicContact CB-CG 4.27Å; A145-F189 HydrophobicContact CB-CD1 4.32Å; A145-F189 HydrophobicContact CB-CE1 3.71Å; A145-F189 HydrophobicContact CB-CZ 4.11Å
146A98.8Very high97.6Very high0 Ų016.8 Ų16.80%08%0.081CC..Hα-helixtrans-56.6-46.1176.400000110.8A142 A148 V149 E150 L163 E165 L168A142-A146 VanDerWaalsContact O-CB 3.24Å; A142-A146 WeakPolarHBondContact O-CB 3.41Å; A142-A146 PolarHBondContact O-N 2.99Å; A146-A148 VanDerWaalsContact C-N 3.33Å; A146-A148 PolarHBondContact O-N 2.88Å; A146-V149 PolarHBondContact O-N 3.32Å; A146-V149 VanDerWaalsContact O-N 3.14Å; A146-E150 VanDerWaalsContact O-CG 3.24Å; A146-E150 WeakPolarHBondContact O-CG 3.23Å; A146-E150 PolarHBondContact O-N 3.39Å; A146-L163 HydrophobicContact CB-CB 4.38Å; A146-E165 HydrophobicContact CB-CG 4Å; A146-L168 HydrophobicContact CB-CD1 4.44Å
147G98.8Very high97.6Very high3 Ų316 Ų163%0.0317%0.074CC..Hα-helixtrans-59.8-36.8177.700000114.5F143 S144 A145 G151F143-G147 PolarHBondContact O-N 2.83Å; S144-G147 PolarHBondContact O-N 2.99Å; A145-G147 VanDerWaalsContact C-N 3.3Å; A145-G147 PolarHBondContact O-N 3.43Å; G147-G151 PolarHBondContact O-N 2.83Å; G147-G151 VanDerWaalsContact O-N 3.1Å
148A98.7Very high97.5Very high0 Ų024 Ų240%011%0.109CC..Hα-helixtrans-69.4-40.4174.800000111.8S144 A145 A146 G151 Q152 F189 S248 L280 P328S144-A148 PolarHBondContact O-N 2.93Å; A145-A148 PolarHBondContact O-N 3.47Å; A146-A148 VanDerWaalsContact C-N 3.33Å; A146-A148 PolarHBondContact O-N 2.88Å; A148-G151 PolarHBondContact O-N 2.86Å; A148-Q152 WeakPolarHBondContact O-CG 3.06Å; A148-Q152 PolarHBondContact O-N 3.28Å; A148-Q152 VanDerWaalsContact O-N 3.09Å; A148-F189 HydrophobicContact CB-CE1 4.4Å; A148-F189 HydrophobicContact CB-CZ 4.03Å; A148-S248 WeakPolarHBondContact CB-OG 3.2Å; A148-L280 HydrophobicContact CB-CD1 3.99Å; A148-P328 HydrophobicContact CB-CG 4.25Å
149V98.7Very high97.4Very high1 Ų130.1 Ų30.11%0.00614%0.135CC..Hα-helixtrans-63.7-42.1174.4-179.20000111.2A145 A146 G151 Q152 L153 L163 F189 L192 I197 V221 V223 P328 L330A145-V149 WeakPolarHBondContact O-CG2 3.36Å; A145-V149 PolarHBondContact O-N 2.04Å; A145-V149 VanDerWaalsContact O-N 3.09Å; A146-V149 PolarHBondContact O-N 3.32Å; A146-V149 VanDerWaalsContact O-N 3.14Å; V149-G151 VanDerWaalsContact C-N 3.31Å; V149-G151 PolarHBondContact O-N 3.25Å; V149-Q152 PolarHBondContact O-N 3.27Å; V149-L153 WeakPolarHBondContact O-CB 3.43Å; V149-L153 PolarHBondContact O-N 2.99Å; V149-L163 HydrophobicContact CB-CD1 3.73Å; V149-L163 HydrophobicContact CG1-CD1 3.41Å; V149-L163 VanDerWaalsContact CG1-CD1 3.41Å; V149-F189 HydrophobicContact CG2-CD1 4.32Å; V149-F189 HydrophobicContact CG2-CE1 4.07Å; V149-L192 HydrophobicContact CG2-CD1 3.79Å; V149-I197 HydrophobicContact CG1-CG2 4.23Å; V149-V221 HydrophobicContact CG1-CG1 3.84Å; V149-V223 HydrophobicContact CG2-CG2 4.04Å; V149-P328 HydrophobicContact CB-CG 4.34Å; V149-P328 HydrophobicContact CG2-CB 4.26Å; V149-P328 HydrophobicContact CG2-CG 3.66Å; V149-L330 HydrophobicContact CG1-CD2 4.2Å
150E98.7Very high97.4Very high3 Ų334.1 Ų34.11%0.01416%0.156CC..Hα-helixtrans-56.1-46174.2-71173.8163.500111.3T129 K132 A146 Q152 L153 V154 I161 S162 L163T129-E150 WeakPolarHBondContact CB-OE2 3.41Å; T129-E150 HydrophobicContact CG2-CB 4.32Å; T129-E150 HydrophobicContact CG2-CG 4.1Å; T129-E150 WeakPolarHBondContact CG2-OE2 3.34Å; T129-E150 PolarHBondContact OG1-OE2 2.81Å; K132-E150 IonicContact NZ-OE1 3.37Å; A146-E150 VanDerWaalsContact O-CG 3.24Å; A146-E150 WeakPolarHBondContact O-CG 3.23Å; A146-E150 PolarHBondContact O-N 3.39Å; E150-Q152 PolarHBondContact O-N 3.41Å; E150-L153 WeakPolarHBondContact O-CB 3.47Å; E150-L153 PolarHBondContact O-N 2.85Å; E150-V154 PolarHBondContact O-N 2.82Å; E150-V154 VanDerWaalsContact O-N 3.11Å; E150-I161 WeakPolarHBondContact CG-O 3.24Å; E150-S162 VanDerWaalsContact OE1-CA 3.27Å; E150-S162 WeakPolarHBondContact OE1-CA 3.41Å; E150-L163 HydrophobicContact CG-CB 4.12Å; E150-L163 HydrophobicContact CG-CD1 3.73Å; E150-L163 HydrophobicContact CG-CG 3.67Å; E150-L163 PolarHBondContact OE1-N 2.81Å
151G98.2Very high97.4Very high1 Ų136.6 Ų36.61%0.0117%0.169CC..Hα-helixtrans-59.4-44.817600000113G147 A148 V149 L153 V154 K155G147-G151 PolarHBondContact O-N 2.83Å; G147-G151 VanDerWaalsContact O-N 3.1Å; A148-G151 PolarHBondContact O-N 2.86Å; V149-G151 VanDerWaalsContact C-N 3.31Å; V149-G151 PolarHBondContact O-N 3.25Å; G151-L153 VanDerWaalsContact C-N 3.33Å; G151-L153 PolarHBondContact O-N 3.38Å; G151-V154 PolarHBondContact O-N 3.21Å; G151-K155 PolarHBondContact O-N 3.36Å
152Q97.6Very high97.4Very high8 Ų838.5 Ų38.54%0.03718%0.182CC..Hα-helixtrans-64.7-37175.5-64.9-53.5-46.500112.7A148 V149 E150 V154 K155 K156 Y244 P328 L330A148-Q152 WeakPolarHBondContact O-CG 3.06Å; A148-Q152 PolarHBondContact O-N 3.28Å; A148-Q152 VanDerWaalsContact O-N 3.09Å; V149-Q152 PolarHBondContact O-N 3.27Å; E150-Q152 PolarHBondContact O-N 3.41Å; Q152-V154 VanDerWaalsContact C-N 3.31Å; Q152-V154 PolarHBondContact O-N 2.97Å; Q152-K155 PolarHBondContact O-N 3.4Å; Q152-K156 WeakPolarHBondContact O-CB 3.45Å; Q152-K156 PolarHBondContact O-N 2.84Å; Q152-Y244 PolarHBondContact NE2-O 3.33Å; Q152-P328 VanDerWaalsContact CD-O 3.27Å; Q152-P328 HydrophobicContact CG-CG 3.96Å; Q152-P328 WeakPolarHBondContact CG-O 3.32Å; Q152-L330 HydrophobicContact CB-CD1 3.55Å; Q152-L330 HydrophobicContact CB-CG 3.63Å
153L97.4Very high97.4Very high5 Ų538.5 Ų38.53%0.02618%0.182CC..Hα-helixtrans-62.9-41179.1-169.271.6000110.8V149 E150 G151 H157 K158 K159 I161 V220 V221 L330V149-L153 WeakPolarHBondContact O-CB 3.43Å; V149-L153 PolarHBondContact O-N 2.99Å; E150-L153 WeakPolarHBondContact O-CB 3.47Å; E150-L153 PolarHBondContact O-N 2.85Å; G151-L153 VanDerWaalsContact C-N 3.33Å; G151-L153 PolarHBondContact O-N 3.38Å; L153-H157 HydrophobicContact CD1-CB 4.39Å; L153-H157 CarbonylContact O-C 3.48Å; L153-H157 WeakPolarHBondContact O-CA 3.34Å; L153-H157 WeakPolarHBondContact O-CB 3.24Å; L153-H157 PolarHBondContact O-N 3.2Å; L153-K158 PolarHBondContact O-N 2.92Å; L153-K159 CarbonylContact C-O 3.54Å; L153-K159 HydrophobicContact CD2-CB 4.46Å; L153-K159 WeakPolarHBondContact CD2-O 3.35Å; L153-K159 HydrophobicContact CG-CB 4.35Å; L153-K159 WeakPolarHBondContact CG-O 3.28Å; L153-I161 HydrophobicContact CD2-CB 3.77Å; L153-I161 HydrophobicContact CD2-CD1 4.05Å; L153-I161 HydrophobicContact CD2-CG1 4Å; L153-V220 HydrophobicContact CD2-CG1 4.07Å; L153-V221 HydrophobicContact CD1-CB 3.97Å; L153-V221 HydrophobicContact CD1-CG1 4.11Å; L153-V221 HydrophobicContact CD1-CG2 4.11Å; L153-L330 HydrophobicContact CB-CD1 4.1Å; L153-L330 HydrophobicContact CD1-CD1 4.19Å
154V96.9Very high97.4Very high17 Ų1737.6 Ų37.610%0.10318%0.178CC..Hα-helixtrans-66-46.5172.7175.30000110.9A127 E150 G151 Q152 K156 K158 K159 L160A127-V154 HydrophobicContact CB-CB 4.17Å; A127-V154 HydrophobicContact CB-CG1 3.99Å; E150-V154 PolarHBondContact O-N 2.82Å; E150-V154 VanDerWaalsContact O-N 3.11Å; G151-V154 PolarHBondContact O-N 3.21Å; Q152-V154 VanDerWaalsContact C-N 3.31Å; Q152-V154 PolarHBondContact O-N 2.97Å; V154-K156 PolarHBondContact O-N 2.92Å; V154-K158 WeakPolarHBondContact O-CA 3.39Å; V154-K158 PolarHBondContact O-N 2.88Å; V154-K159 WeakPolarHBondContact CG2-O 3.42Å; V154-K159 PolarHBondContact N-O 3.21Å; V154-L160 HydrophobicContact CG2-CB 3.75Å; V154-L160 HydrophobicContact CG2-CD1 3.66Å; V154-L160 HydrophobicContact CG2-CG 4.32Å
155K93.6Very high97.4Very high79 Ų7937.7 Ų37.734%0.34318%0.179SC..Hα-helixtrans-59.1-49-178.6-173.5178.5170.6-166.60112G151 Q152 H243 Y244G151-K155 PolarHBondContact O-N 3.36Å; Q152-K155 PolarHBondContact O-N 3.4Å; K155-H243 VanDerWaalsContact CE-O 3.31Å; K155-H243 WeakPolarHBondContact CE-O 3.47Å; K155-H243 PolarHBondContact NZ-O 2.8Å; K155-Y244 VanDerWaalsContact CD-O 3.22Å; K155-Y244 WeakPolarHBondContact CD-O 3.36Å
156K94.2Very high97.5Very high112 Ų11237.8 Ų37.849%0.48718%0.179SC..Hα-helixtrans-84.8-39.2-174-171.4175.5178.6177.10113.8Q152 V154 L330Q152-K156 WeakPolarHBondContact O-CB 3.45Å; Q152-K156 PolarHBondContact O-N 2.84Å; V154-K156 PolarHBondContact O-N 2.92Å; K156-L330 HydrophobicContact CD-CB 3.76Å; K156-L330 PolarHBondContact NZ-O 3.17Å; K156-L330 PolarHBondContact NZ-OXT 3.31Å
157H95.3Very high97.5Very high86 Ų8637.8 Ų37.840%0.39818%0.179SC..Hα-helixtrans-119.2-0.2-170.2-61.5-70.4000114.3L153 K159L153-H157 HydrophobicContact CD1-CB 4.39Å; L153-H157 CarbonylContact O-C 3.48Å; L153-H157 WeakPolarHBondContact O-CA 3.34Å; L153-H157 WeakPolarHBondContact O-CB 3.24Å; L153-H157 PolarHBondContact O-N 3.2Å; H157-K159 PolarHBondContact O-N 3.04Å; H157-K159 VanDerWaalsContact O-N 3.17Å
158K95.4Very high97.4Very high169 Ų16937.6 Ų37.674%0.73518%0.177SC*.  trans55.329.7-178.6-52.1-61.1178.1-163.40113.3L153 V154L153-K158 PolarHBondContact O-N 2.92Å; V154-K158 WeakPolarHBondContact O-CA 3.39Å; V154-K158 PolarHBondContact O-N 2.88Å
159K95.2Very high97.4Very high128 Ų12837.6 Ų37.656%0.55718%0.177SC*.  trans-119.9115.2-179.7-72.6178.2-177.5-177.40110L153 V154 H157 I161L153-K159 CarbonylContact C-O 3.54Å; L153-K159 HydrophobicContact CD2-CB 4.46Å; L153-K159 WeakPolarHBondContact CD2-O 3.35Å; L153-K159 HydrophobicContact CG-CB 4.35Å; L153-K159 WeakPolarHBondContact CG-O 3.28Å; V154-K159 WeakPolarHBondContact CG2-O 3.42Å; V154-K159 PolarHBondContact N-O 3.21Å; H157-K159 PolarHBondContact O-N 3.04Å; H157-K159 VanDerWaalsContact O-N 3.17Å; K159-I161 HydrophobicContact CB-CD1 4.28Å; K159-I161 HydrophobicContact CB-CG1 4.28Å; K159-I161 HydrophobicContact CD-CD1 4.49Å; K159-I161 PolarHBondContact O-N 2.79Å
160L97.1Very high97.4Very high85 Ų8538 Ų3845%0.44518%0.179SC..  trans-89.9100.3170.5-175.267.1000108.3T129 V154T129-L160 HydrophobicContact CG2-CD1 3.55Å; T129-L160 HydrophobicContact CG2-CG 4.04Å; V154-L160 HydrophobicContact CG2-CB 3.75Å; V154-L160 HydrophobicContact CG2-CD1 3.66Å; V154-L160 HydrophobicContact CG2-CG 4.32Å
161I98.1Very high97.4Very high51 Ų5138.6 Ų38.626%0.26218%0.184SC..  trans-119.1126.3178.9-60.9178.6000107.3E150 L153 K159 L163 V220E150-I161 WeakPolarHBondContact CG-O 3.24Å; L153-I161 HydrophobicContact CD2-CB 3.77Å; L153-I161 HydrophobicContact CD2-CD1 4.05Å; L153-I161 HydrophobicContact CD2-CG1 4Å; K159-I161 HydrophobicContact CB-CD1 4.28Å; K159-I161 HydrophobicContact CB-CG1 4.28Å; K159-I161 HydrophobicContact CD-CD1 4.49Å; K159-I161 PolarHBondContact O-N 2.79Å; I161-L163 HydrophobicContact CG2-CD2 4.16Å; I161-L163 PolarHBondContact O-N 3.12Å; I161-V220 HydrophobicContact CD1-CG1 3.65Å; I161-V220 HydrophobicContact CG2-CG1 4.34Å; I161-V220 HydrophobicContact CG2-CG2 4.33Å
162S98.5Very high97.4Very high40 Ų4038.6 Ų38.628%0.2818%0.184SC..  trans-70.6123.1172.8-159.30000110.4K132 E150 S199 E200K132-S162 WeakPolarHBondContact CE-OG 3.42Å; K132-S162 PolarHBondContact NZ-OG 2.85Å; K132-S162 VanDerWaalsContact NZ-OG 3.08Å; E150-S162 VanDerWaalsContact OE1-CA 3.27Å; E150-S162 WeakPolarHBondContact OE1-CA 3.41Å; S162-S199 CarbonylContact O-C 3.56Å; S162-S199 WeakPolarHBondContact O-CA 3.49Å; S162-E200 PolarHBondContact O-N 3.01Å
163L98.8Very high97.4Very high0 Ų042.5 Ų42.50%020%0.199CC..BIsolated β-bridgetrans-98.4156.8-173.7-60.4178.4000111.7K132 A146 V149 E150 I161 E165 I197 V220K132-L163 PolarHBondContact NZ-O 2.84Å; A146-L163 HydrophobicContact CB-CB 4.38Å; V149-L163 HydrophobicContact CB-CD1 3.73Å; V149-L163 HydrophobicContact CG1-CD1 3.41Å; V149-L163 VanDerWaalsContact CG1-CD1 3.41Å; E150-L163 HydrophobicContact CG-CB 4.12Å; E150-L163 HydrophobicContact CG-CD1 3.73Å; E150-L163 HydrophobicContact CG-CG 3.67Å; E150-L163 PolarHBondContact OE1-N 2.81Å; I161-L163 HydrophobicContact CG2-CD2 4.16Å; I161-L163 PolarHBondContact O-N 3.12Å; L163-E165 PolarHBondContact O-N 3.46Å; L163-I197 HydrophobicContact CB-CD1 3.81Å; L163-I197 HydrophobicContact CB-CG1 4.11Å; L163-I197 HydrophobicContact CD1-CD1 4.33Å; L163-I197 HydrophobicContact CD1-CG2 3.79Å; L163-I197 HydrophobicContact CD2-CG2 4Å; L163-I197 HydrophobicContact CG-CG2 4.33Å; L163-V220 HydrophobicContact CD2-CB 4.21Å; L163-V220 HydrophobicContact CD2-CG1 4.3Å; L163-V220 HydrophobicContact CD2-CG2 4.38Å
164S98.8Very high97.3Very high0 Ų052 Ų520%024%0.24CC..  trans-81.1109-174.9179.80000112.7Q166 Q167 E198 Y203S164-Q166 VanDerWaalsContact C-N 3.27Å; S164-Q166 PolarHBondContact OG-N 3.15Å; S164-Q167 PolarHBondContact OG-N 3.29Å; S164-E198 PolarHBondContact N-O 2.91Å; S164-Y203 VanDerWaalsContact CB-O 3.23Å; S164-Y203 WeakPolarHBondContact CB-O 3.21Å; S164-Y203 WeakPolarHBondContact OG-CB 3.39Å; S164-Y203 PolarHBondContact OG-O 3.47Å
165E98.8Very high97.2Very high4 Ų454.5 Ų54.52%0.01925%0.248CC..Hα-helixtrans-67.4-31.7166.8-67.983.8-174.100111.8K132 A142 F143 A146 L163 Q167 L168 V169 Y205K132-E165 WeakPolarHBondContact CD-OE1 3.37Å; K132-E165 WeakPolarHBondContact CD-OE2 3.47Å; K132-E165 WeakPolarHBondContact CE-OE1 3.45Å; K132-E165 IonicContact NZ-OE1 3.22Å; K132-E165 PolarHBondContact NZ-OE1 3.37Å; K132-E165 IonicContact NZ-OE2 2.94Å; K132-E165 PolarHBondContact NZ-OE2 3.25Å; A142-E165 HydrophobicContact CB-CB 4.05Å; A142-E165 HydrophobicContact CB-CG 4.36Å; F143-E165 HydrophobicContact CB-CG 4.22Å; F143-E165 HydrophobicContact CD1-CB 4.49Å; F143-E165 HydrophobicContact CD1-CG 3.55Å; F143-E165 HydrophobicContact CD2-CB 4.41Å; F143-E165 HydrophobicContact CD2-CG 4.01Å; F143-E165 HydrophobicContact CE1-CB 4.29Å; F143-E165 HydrophobicContact CE1-CG 3.73Å; F143-E165 HydrophobicContact CE2-CB 4.2Å; F143-E165 HydrophobicContact CE2-CG 4.17Å; F143-E165 HydrophobicContact CG-CG 3.68Å; F143-E165 HydrophobicContact CZ-CB 4.14Å; F143-E165 HydrophobicContact CZ-CG 4.05Å; A146-E165 HydrophobicContact CB-CG 4Å; L163-E165 PolarHBondContact O-N 3.46Å; E165-Q167 VanDerWaalsContact C-N 3.33Å; E165-Q167 PolarHBondContact O-N 2.96Å; E165-L168 WeakPolarHBondContact O-CB 3.02Å; E165-L168 PolarHBondContact O-N 2.93Å; E165-V169 WeakPolarHBondContact O-CG2 3.33Å; E165-V169 PolarHBondContact O-N 2.99Å; E165-Y205 HydrophobicContact CB-CD2 4.05Å; E165-Y205 HydrophobicContact CB-CE2 4.35Å
166Q98.9Very high97.1Very high1 Ų152.6 Ų52.61%0.00525%0.25CS..Hα-helixtrans-64.4-37.2-178.5-164.965.948.500112.5S164 L168 V169 D170 Y203 K204 Y205 I206 H208S164-Q166 VanDerWaalsContact C-N 3.27Å; S164-Q166 PolarHBondContact OG-N 3.15Å; Q166-L168 PolarHBondContact O-N 2.82Å; Q166-V169 PolarHBondContact O-N 3.41Å; Q166-D170 PolarHBondContact NE2-OD1 3.49Å; Q166-D170 PolarHBondContact NE2-OD2 2.61Å; Q166-D170 WeakPolarHBondContact O-CB 3.06Å; Q166-D170 PolarHBondContact O-N 3.04Å; Q166-Y203 HydrophobicContact CB-CD1 3.72Å; Q166-Y203 HydrophobicContact CB-CE1 3.76Å; Q166-Y203 HydrophobicContact CG-CD1 3.88Å; Q166-Y203 HydrophobicContact CG-CE1 3.45Å; Q166-Y203 VanDerWaalsContact CG-CE1 3.45Å; Q166-K204 WeakPolarHBondContact CB-O 3.31Å; Q166-Y205 HydrophobicContact CB-CD2 4.25Å; Q166-I206 HydrophobicContact CG-CG1 4.35Å; Q166-H208 PolarHBondContact NE2-O 3Å
167Q98.8Very high97.2Very high0 Ų047.4 Ų47.40%023%0.228CC..Hα-helixtrans-57.7-40.7172.8177.2-177.1-1200111S164 E165 C171 Y191 P196 Y203 F214S164-Q167 PolarHBondContact OG-N 3.29Å; E165-Q167 VanDerWaalsContact C-N 3.33Å; E165-Q167 PolarHBondContact O-N 2.96Å; Q167-C171 HydrophobicContact CG-CB 4.49Å; Q167-C171 WeakPolarHBondContact O-CB 3.46Å; Q167-C171 PolarHBondContact O-N 3.4Å; Q167-Y191 HydrophobicContact CG-CE1 4.14Å; Q167-Y191 WeakPolarHBondContact CG-OH 3.46Å; Q167-Y191 PolarHBondContact NE2-OH 2.82Å; Q167-P196 PolarHBondContact NE2-O 3.04Å; Q167-Y203 HydrophobicContact CB-CD2 3.84Å; Q167-Y203 HydrophobicContact CB-CE2 4.01Å; Q167-Y203 HydrophobicContact CB-CG 4.24Å; Q167-Y203 HydrophobicContact CG-CD2 4.36Å; Q167-Y203 HydrophobicContact CG-CE2 4.35Å; Q167-F214 HydrophobicContact CG-CD2 4.32Å
168L98.7Very high97.2Very high0 Ų046.9 Ų46.90%023%0.228CC..Hα-helixtrans-66.2-48.2177-62.1178.6000110.2W141 A142 A145 A146 E165 Q166 D170 S172 Y191 L192 I197W141-L168 HydrophobicContact CH2-CB 4.24Å; W141-L168 HydrophobicContact CZ3-CB 3.85Å; A142-L168 HydrophobicContact CB-CB 3.93Å; A142-L168 HydrophobicContact CB-CD1 4.13Å; A145-L168 HydrophobicContact CB-CD1 4.13Å; A146-L168 HydrophobicContact CB-CD1 4.44Å; E165-L168 WeakPolarHBondContact O-CB 3.02Å; E165-L168 PolarHBondContact O-N 2.93Å; Q166-L168 PolarHBondContact O-N 2.82Å; L168-D170 VanDerWaalsContact C-N 3.34Å; L168-D170 PolarHBondContact O-N 2.94Å; L168-S172 WeakPolarHBondContact O-CB 3.44Å; L168-S172 PolarHBondContact O-N 2.81Å; L168-S172 PolarHBondContact O-OG 2.86Å; L168-Y191 HydrophobicContact CD2-CD1 3.68Å; L168-Y191 HydrophobicContact CD2-CE1 3.99Å; L168-L192 HydrophobicContact CD2-CD1 4.14Å; L168-L192 HydrophobicContact CD2-CD2 3.91Å; L168-L192 HydrophobicContact CD2-CG 3.95Å; L168-I197 HydrophobicContact CD1-CD1 4.4Å; L168-I197 HydrophobicContact CG-CD1 4.35Å
169V98.6Very high97.2Very high0 Ų038.9 Ų38.90%019%0.193CC..Hα-helixtrans-52.9-49.6177171.80000111.5W141 A142 E165 Q166 Y173 Y205W141-V169 HydrophobicContact CH2-CG2 4.49Å; W141-V169 HydrophobicContact CZ2-CG2 4.34Å; A142-V169 HydrophobicContact CB-CG2 4.17Å; E165-V169 WeakPolarHBondContact O-CG2 3.33Å; E165-V169 PolarHBondContact O-N 2.99Å; Q166-V169 PolarHBondContact O-N 3.41Å; V169-Y173 WeakPolarHBondContact O-CE2 3.25Å; V169-Y205 HydrophobicContact CG2-CE2 4.48Å
170D98.7Very high97.3Very high8 Ų833.5 Ų33.54%0.04317%0.172CC..Hα-helixtrans-83.8-33.3-171.8-63.9-15.8000113.8Q166 L168 Y203 S210 C212 H213Q166-D170 PolarHBondContact NE2-OD1 3.49Å; Q166-D170 PolarHBondContact NE2-OD2 2.61Å; Q166-D170 WeakPolarHBondContact O-CB 3.06Å; Q166-D170 PolarHBondContact O-N 3.04Å; L168-D170 VanDerWaalsContact C-N 3.34Å; L168-D170 PolarHBondContact O-N 2.94Å; D170-Y203 VanDerWaalsContact CB-OH 3.31Å; D170-Y203 WeakPolarHBondContact CB-OH 3.24Å; D170-Y203 WeakPolarHBondContact OD2-CE1 3.16Å; D170-Y203 PolarHBondContact OD2-OH 2.79Å; D170-S210 PolarHBondContact OD1-N 2.87Å; D170-C212 HydrophobicContact CB-CB 4.33Å; D170-H213 IonicContact OD2-CE1 3.03Å
171C98.6Very high97.2Very high17 Ų1733.2 Ų33.212%0.11517%0.168CC..Hα-helixtrans-107.9-10.7-164-58.80000115.1Q167 Y191 C212Q167-C171 HydrophobicContact CG-CB 4.49Å; Q167-C171 WeakPolarHBondContact O-CB 3.46Å; Q167-C171 PolarHBondContact O-N 3.4Å; C171-Y191 HydrophobicContact CB-CE1 4.47Å; C171-Y191 HydrophobicContact CB-CE2 3.87Å; C171-Y191 WeakPolarHBondContact CB-OH 3.21Å; C171-C212 HydrophobicContact CB-CB 3.88Å; C171-C212 WeakPolarHBondContact CB-SG 3.03Å; C171-C212 VanDerWaalsContact SG-CA 3.57Å; C171-C212 WeakPolarHBondContact SG-CB 3.46Å; C171-C212 CovalentContact SG-SG 2.04Å; C171-C212 PolarHBondContact SG-SG 3.34Å
172S97.6Very high97.1Very high0 Ų030.8 Ų30.80%016%0.155CC..  trans-97.311.1-174.269.50000114.9L168 K174 Y175 N177L168-S172 WeakPolarHBondContact O-CB 3.44Å; L168-S172 PolarHBondContact O-N 2.81Å; L168-S172 PolarHBondContact O-OG 2.86Å; S172-K174 VanDerWaalsContact C-N 3.29Å; S172-K174 PolarHBondContact O-N 2.68Å; S172-Y175 WeakPolarHBondContact O-CA 3.25Å; S172-Y175 WeakPolarHBondContact O-CB 3.35Å; S172-Y175 PolarHBondContact O-N 3.18Å; S172-N177 WeakPolarHBondContact OG-CB 3.19Å; S172-N177 PolarHBondContact OG-ND2 2.79Å
173Y96.4Very high96.9Very high91 Ų9128.9 Ų28.936%0.35714%0.142SC..G310 helixtrans-52.9-42.1177.4-82.1-95.5000113.9V169 Y175 G176 N177 D178 D209V169-Y173 WeakPolarHBondContact O-CE2 3.25Å; Y173-Y175 PolarHBondContact O-N 2.63Å; Y173-Y175 VanDerWaalsContact O-N 3.09Å; Y173-G176 PolarHBondContact O-N 2.68Å; Y173-N177 VanDerWaalsContact CA-O 3.31Å; Y173-N177 WeakPolarHBondContact CA-O 3.41Å; Y173-D178 WeakPolarHBondContact CE1-OD1 3.29Å; Y173-D209 PolarHBondContact OH-OD1 3.17Å
174K96.3Very high96.7Very high205 Ų20529 Ų2989%0.89114%0.143SC*.G310 helixtrans-65.9-11.7177.7-68.9-177.9178.8178.40114.1S172S172-K174 VanDerWaalsContact C-N 3.29Å; S172-K174 PolarHBondContact O-N 2.68Å
175Y94.2Very high96.6Very high69 Ų6929.1 Ų29.127%0.27114%0.144SC..G310 helixtrans-101.51.3177.8-65.6-99.4000112S172 Y173 Q187 A190 Y191 K194 Y195S172-Y175 WeakPolarHBondContact O-CA 3.25Å; S172-Y175 WeakPolarHBondContact O-CB 3.35Å; S172-Y175 PolarHBondContact O-N 3.18Å; Y173-Y175 PolarHBondContact O-N 2.63Å; Y173-Y175 VanDerWaalsContact O-N 3.09Å; Y175-Q187 WeakPolarHBondContact O-CB 3.44Å; Y175-Q187 WeakPolarHBondContact O-CG 3.49Å; Y175-A190 HydrophobicContact CD1-CB 4.02Å; Y175-A190 WeakPolarHBondContact CE1-O 3.49Å; Y175-Y191 AromaticContact CD2-CD2 3.81Å; Y175-Y191 HydrophobicContact CD2-CD2 3.81Å; Y175-Y191 HydrophobicContact CD2-CG 4.28Å; Y175-Y191 AromaticContact CE2-CD2 3.59Å; Y175-Y191 HydrophobicContact CE2-CD2 3.59Å; Y175-Y191 HydrophobicContact CE2-CG 4.34Å; Y175-K194 VanDerWaalsContact OH-CG 3.3Å; Y175-K194 WeakPolarHBondContact OH-CG 3.36Å; Y175-Y195 HydrophobicContact CE2-CE2 4.19Å; Y175-Y195 WeakPolarHBondContact OH-CE2 3.49Å
176G92.9Very high96.4Very high38 Ų3830 Ų3039%0.39215%0.149SC..THydrogen-bonded Turntrans984.5173.500000115.6Y173 Q187Y173-G176 PolarHBondContact O-N 2.68Å; G176-Q187 VanDerWaalsContact C-NE2 3.25Å; G176-Q187 PolarHBondContact O-NE2 3.18Å; G176-Q187 VanDerWaalsContact O-NE2 3.07Å; G176-Q187 PolarHBondContact O-OE1 3.15Å
177N95.1Very high96.2Very high3 Ų332.1 Ų32.12%0.01616%0.159CC..  trans-75.6156.1163.4-69.2-42.1000109.9W141 S172 Y173 G183 T184 Q187 S188W141-N177 HydrophobicContact CH2-CB 3.66Å; W141-N177 HydrophobicContact CZ2-CB 3.99Å; W141-N177 HydrophobicContact CZ3-CB 4.01Å; W141-N177 VanDerWaalsContact CZ3-CG 3.47Å; W141-N177 WeakPolarHBondContact CZ3-ND2 3.43Å; S172-N177 WeakPolarHBondContact OG-CB 3.19Å; S172-N177 PolarHBondContact OG-ND2 2.79Å; Y173-N177 VanDerWaalsContact CA-O 3.31Å; Y173-N177 WeakPolarHBondContact CA-O 3.41Å; N177-G183 WeakPolarHBondContact OD1-CA 3.38Å; N177-T184 PolarHBondContact OD1-N 2.98Å; N177-T184 PolarHBondContact OD1-O 2.89Å; N177-Q187 PolarHBondContact OD1-OE1 3.1Å; N177-S188 PolarHBondContact ND2-OG 3.08Å
178D95.7Very high96.2Very high76 Ų7632.1 Ų32.141%0.40616%0.159SC..  trans-130.640.9-177.4-161.432.3000110.5Y173 C180 Q181 G182Y173-D178 WeakPolarHBondContact CE1-OD1 3.29Å; D178-C180 PolarHBondContact O-N 2.89Å; D178-Q181 HydrophobicContact CB-CB 4.11Å; D178-Q181 WeakPolarHBondContact O-CA 3.27Å; D178-Q181 WeakPolarHBondContact O-CB 3.38Å; D178-Q181 PolarHBondContact O-N 2.94Å; D178-Q181 VanDerWaalsContact OD2-CB 3.25Å; D178-Q181 WeakPolarHBondContact OD2-CB 3.36Å; D178-G182 CarbonylContact C-O 3.58Å; D178-G182 WeakPolarHBondContact CA-O 3.3Å; D178-G182 PolarHBondContact N-O 2.56Å
179G96.3Very high96.1Very high0 Ų032.1 Ų32.10%016%0.159CC..G310 helixtrans52-121.5177.700000113.8W141 Q181 G182 D209W141-G179 WeakPolarHBondContact CZ2-O 3.43Å; W141-G179 PolarHBondContact NE1-O 2.71Å; G179-Q181 VanDerWaalsContact C-N 3.25Å; G179-Q181 PolarHBondContact O-N 3.06Å; G179-G182 PolarHBondContact O-N 3.04Å; G179-D209 WeakPolarHBondContact CA-OD1 3.33Å
180C96.7Very high96Very high15 Ų1533.3 Ų33.310%0.10117%0.168CC..G310 helixtrans-72.6-10177.5-69.90000115C137 G138 D178 G182 H208 D209C137-C180 HydrophobicContact CB-CB 3.97Å; C137-C180 WeakPolarHBondContact CB-SG 3.38Å; C137-C180 WeakPolarHBondContact SG-CA 3.32Å; C137-C180 WeakPolarHBondContact SG-CB 3.39Å; C137-C180 CovalentContact SG-SG 2.04Å; C137-C180 PolarHBondContact SG-SG 3.03Å; G138-C180 WeakPolarHBondContact CA-O 3.16Å; G138-C180 PolarHBondContact N-O 2.85Å; D178-C180 PolarHBondContact O-N 2.89Å; C180-G182 VanDerWaalsContact C-N 3.34Å; C180-H208 VanDerWaalsContact SG-CA 3.54Å; C180-D209 PolarHBondContact N-OD1 2.97Å
181Q95.1Very high96Very high79 Ų7933.2 Ų33.237%0.36917%0.167SC..G310 helixtrans-84.3-11.9173.7-60.9-56.2-46.600113.1K94 D178 G179K94-Q181 PolarHBondContact N-O 3.01Å; D178-Q181 HydrophobicContact CB-CB 4.11Å; D178-Q181 WeakPolarHBondContact O-CA 3.27Å; D178-Q181 WeakPolarHBondContact O-CB 3.38Å; D178-Q181 PolarHBondContact O-N 2.94Å; D178-Q181 VanDerWaalsContact OD2-CB 3.25Å; D178-Q181 WeakPolarHBondContact OD2-CB 3.36Å; G179-Q181 VanDerWaalsContact C-N 3.25Å; G179-Q181 PolarHBondContact O-N 3.06Å
182G94.7Very high96Very high0 Ų032.4 Ų32.40%016%0.162CC..  trans132.7-175.9172.800000113.2S93 W141 D178 G179 C180S93-G182 WeakPolarHBondContact OG-CA 3.2Å; W141-G182 PolarHBondContact NE1-O 3.41Å; D178-G182 CarbonylContact C-O 3.58Å; D178-G182 WeakPolarHBondContact CA-O 3.3Å; D178-G182 PolarHBondContact N-O 2.56Å; G179-G182 PolarHBondContact O-N 3.04Å; C180-G182 VanDerWaalsContact C-N 3.34Å
183G95Very high96Very high0 Ų035.2 Ų35.20%018%0.175CC..  trans165.5-174.9-172.200000111S93 W141 N177S93-G183 PolarHBondContact OG-N 3.05Å; S93-G183 PolarHBondContact OG-O 3.49Å; W141-G183 WeakPolarHBondContact CB-O 3.46Å; W141-G183 VanDerWaalsContact CG-C 3.47Å; N177-G183 WeakPolarHBondContact OD1-CA 3.38Å
184T95.1Very high96Very high4 Ų437.1 Ų37.13%0.02519%0.185CC..  trans-136.1159.5-179.866.90000111.7V95 F96 N177 D186 Q187 S188V95-T184 HydrophobicContact CG1-CG2 4.28Å; F96-T184 HydrophobicContact CD1-CG2 4.11Å; F96-T184 HydrophobicContact CE1-CG2 4.25Å; N177-T184 PolarHBondContact OD1-N 2.98Å; N177-T184 PolarHBondContact OD1-O 2.89Å; T184-D186 VanDerWaalsContact C-N 3.35Å; T184-Q187 WeakPolarHBondContact OG1-CB 3.48Å; T184-Q187 WeakPolarHBondContact OG1-CG 3.23Å; T184-Q187 PolarHBondContact OG1-N 3.24Å; T184-Q187 PolarHBondContact OG1-OE1 3.19Å; T184-S188 PolarHBondContact O-N 2.95Å; T184-S188 PolarHBondContact O-OG 3.41Å
185M96.5Very high96.1Very high2 Ų232.2 Ų32.21%0.0116%0.162CC..Hα-helixtrans-68.9-36.2178.8-58.782.861.900111.4F96 W141 A145 S188 F189 A250F96-M185 HydrophobicContact CE1-CE 4.22Å; F96-M185 HydrophobicContact CE1-SD 3.87Å; F96-M185 HydrophobicContact CZ-SD 3.91Å; W141-M185 HydrophobicContact CB-SD 4.45Å; A145-M185 HydrophobicContact CB-CB 4.18Å; A145-M185 HydrophobicContact CB-CG 4.27Å; M185-S188 CarbonylContact O-C 3.57Å; M185-S188 WeakPolarHBondContact O-CA 3.36Å; M185-S188 VanDerWaalsContact O-CB 3.23Å; M185-S188 WeakPolarHBondContact O-CB 3.32Å; M185-S188 PolarHBondContact O-N 3.06Å; M185-S188 VanDerWaalsContact O-N 3.15Å; M185-F189 HydrophobicContact CB-CE2 3.87Å; M185-F189 HydrophobicContact CB-CZ 4.06Å; M185-F189 WeakPolarHBondContact O-CD2 3.34Å; M185-F189 VanDerWaalsContact O-CG 3.22Å; M185-F189 WeakPolarHBondContact O-CG 3.48Å; M185-F189 PolarHBondContact O-N 3.16Å; M185-A250 HydrophobicContact CE-CB 4.2Å
186D94.9Very high96.3Very high23 Ų2329.7 Ų29.712%0.12315%0.154CC..Hα-helixtrans-66.2-43.3179.7-63.40.8000112.6T184 S188 F189 A190 F226 S326T184-D186 VanDerWaalsContact C-N 3.35Å; D186-S188 PolarHBondContact O-N 2.63Å; D186-F189 PolarHBondContact O-N 3.34Å; D186-F189 VanDerWaalsContact O-N 3.15Å; D186-A190 WeakPolarHBondContact O-CB 3.41Å; D186-A190 PolarHBondContact O-N 2.82Å; D186-F226 HydrophobicContact CB-CD2 4.37Å; D186-F226 HydrophobicContact CB-CE2 3.68Å; D186-F226 HydrophobicContact CB-CZ 4.2Å; D186-S326 WeakPolarHBondContact OD1-CB 3.35Å; D186-S326 PolarHBondContact OD1-OG 3.44Å
187Q95Very high96.6Very high45 Ų4527.9 Ų27.921%0.2114%0.135CC..Hα-helixtrans-61.8-36.1174.2-68.8168.8-39.700111.1Y175 G176 N177 T184 Y191Y175-Q187 WeakPolarHBondContact O-CB 3.44Å; Y175-Q187 WeakPolarHBondContact O-CG 3.49Å; G176-Q187 VanDerWaalsContact C-NE2 3.25Å; G176-Q187 PolarHBondContact O-NE2 3.18Å; G176-Q187 VanDerWaalsContact O-NE2 3.07Å; G176-Q187 PolarHBondContact O-OE1 3.15Å; N177-Q187 PolarHBondContact OD1-OE1 3.1Å; T184-Q187 WeakPolarHBondContact OG1-CB 3.48Å; T184-Q187 WeakPolarHBondContact OG1-CG 3.23Å; T184-Q187 PolarHBondContact OG1-N 3.24Å; T184-Q187 PolarHBondContact OG1-OE1 3.19Å; Q187-Y191 PolarHBondContact O-N 2.99Å
188S97.5Very high96.8Very high0 Ų027.8 Ų27.80%014%0.135CC..Hα-helixtrans-64.9-45.8173.1-52.70000111.4W141 N177 T184 M185 D186 Y191 L192W141-S188 VanDerWaalsContact CZ3-OG 3.24Å; W141-S188 WeakPolarHBondContact CZ3-OG 3.5Å; N177-S188 PolarHBondContact ND2-OG 3.08Å; T184-S188 PolarHBondContact O-N 2.95Å; T184-S188 PolarHBondContact O-OG 3.41Å; M185-S188 CarbonylContact O-C 3.57Å; M185-S188 WeakPolarHBondContact O-CA 3.36Å; M185-S188 VanDerWaalsContact O-CB 3.23Å; M185-S188 WeakPolarHBondContact O-CB 3.32Å; M185-S188 PolarHBondContact O-N 3.06Å; M185-S188 VanDerWaalsContact O-N 3.15Å; D186-S188 PolarHBondContact O-N 2.63Å; S188-Y191 WeakPolarHBondContact O-CB 3.24Å; S188-Y191 PolarHBondContact O-N 2.81Å; S188-L192 VanDerWaalsContact O-CG 3.3Å; S188-L192 WeakPolarHBondContact O-CG 3.19Å; S188-L192 PolarHBondContact O-N 2.96Å
189F97.4Very high96.9Very high0 Ų024.8 Ų24.80%012%0.12CC..Hα-helixtrans-64.1-41.4177.3-59.2-36.3000112.3A145 A148 V149 M185 D186 Y191 L192 E193 F226 P328A145-F189 HydrophobicContact CB-CD1 4.32Å; A145-F189 HydrophobicContact CB-CE1 3.71Å; A145-F189 HydrophobicContact CB-CZ 4.11Å; A148-F189 HydrophobicContact CB-CE1 4.4Å; A148-F189 HydrophobicContact CB-CZ 4.03Å; V149-F189 HydrophobicContact CG2-CD1 4.32Å; V149-F189 HydrophobicContact CG2-CE1 4.07Å; M185-F189 HydrophobicContact CB-CE2 3.87Å; M185-F189 HydrophobicContact CB-CZ 4.06Å; M185-F189 WeakPolarHBondContact O-CD2 3.34Å; M185-F189 VanDerWaalsContact O-CG 3.22Å; M185-F189 WeakPolarHBondContact O-CG 3.48Å; M185-F189 PolarHBondContact O-N 3.16Å; D186-F189 PolarHBondContact O-N 3.34Å; D186-F189 VanDerWaalsContact O-N 3.15Å; F189-Y191 VanDerWaalsContact C-N 3.31Å; F189-Y191 PolarHBondContact O-N 3.2Å; F189-L192 CarbonylContact O-C 3.49Å; F189-L192 WeakPolarHBondContact O-CA 3.47Å; F189-L192 PolarHBondContact O-N 3.35Å; F189-E193 PolarHBondContact O-N 3.09Å; F189-F226 HydrophobicContact CB-CB 3.76Å; F189-F226 HydrophobicContact CB-CD1 3.7Å; F189-F226 HydrophobicContact CB-CD2 4.39Å; F189-F226 HydrophobicContact CB-CE1 4.39Å; F189-F226 HydrophobicContact CB-CG 3.7Å; F189-F226 HydrophobicContact CD2-CB 3.77Å; F189-F226 HydrophobicContact CD2-CD2 4.17Å; F189-F226 HydrophobicContact CD2-CG 4.05Å; F189-F226 HydrophobicContact CG-CB 4.01Å; F189-F226 HydrophobicContact CG-CG 4.31Å; F189-P328 HydrophobicContact CD1-CB 3.96Å; F189-P328 HydrophobicContact CD1-CG 4.13Å; F189-P328 HydrophobicContact CE1-CB 4.11Å; F189-P328 HydrophobicContact CE1-CG 3.76Å; F189-P328 HydrophobicContact CG-CB 4.38Å; F189-P328 HydrophobicContact CZ-CG 4.19Å
190A96.4Very high97Very high25 Ų2526.9 Ų26.921%0.20713%0.129CC..Hα-helixtrans-60.2-38.7174.800000112.4Y175 D186 F226Y175-A190 HydrophobicContact CD1-CB 4.02Å; Y175-A190 WeakPolarHBondContact CE1-O 3.49Å; D186-A190 WeakPolarHBondContact O-CB 3.41Å; D186-A190 PolarHBondContact O-N 2.82Å; A190-F226 HydrophobicContact CB-CE1 4.24Å
191Y98Very high97.1Very high5 Ų534.6 Ų34.62%0.0216%0.161CC..Hα-helixtrans-61.7-45.8169.6166.3-102.7000111.5Q167 L168 C171 Y175 Q187 S188 F189 E193 K194 Y195Q167-Y191 HydrophobicContact CG-CE1 4.14Å; Q167-Y191 WeakPolarHBondContact CG-OH 3.46Å; Q167-Y191 PolarHBondContact NE2-OH 2.82Å; L168-Y191 HydrophobicContact CD2-CD1 3.68Å; L168-Y191 HydrophobicContact CD2-CE1 3.99Å; C171-Y191 HydrophobicContact CB-CE1 4.47Å; C171-Y191 HydrophobicContact CB-CE2 3.87Å; C171-Y191 WeakPolarHBondContact CB-OH 3.21Å; Y175-Y191 AromaticContact CD2-CD2 3.81Å; Y175-Y191 HydrophobicContact CD2-CD2 3.81Å; Y175-Y191 HydrophobicContact CD2-CG 4.28Å; Y175-Y191 AromaticContact CE2-CD2 3.59Å; Y175-Y191 HydrophobicContact CE2-CD2 3.59Å; Y175-Y191 HydrophobicContact CE2-CG 4.34Å; Q187-Y191 PolarHBondContact O-N 2.99Å; S188-Y191 WeakPolarHBondContact O-CB 3.24Å; S188-Y191 PolarHBondContact O-N 2.81Å; F189-Y191 VanDerWaalsContact C-N 3.31Å; F189-Y191 PolarHBondContact O-N 3.2Å; Y191-E193 VanDerWaalsContact C-N 3.27Å; Y191-E193 PolarHBondContact O-N 2.9Å; Y191-K194 PolarHBondContact O-N 3.01Å; Y191-Y195 AromaticContact CD2-CD2 3.5Å; Y191-Y195 HydrophobicContact CD2-CD2 3.5Å; Y191-Y195 VanDerWaalsContact CD2-CD2 3.5Å; Y191-Y195 HydrophobicContact CD2-CE2 4.1Å; Y191-Y195 HydrophobicContact CD2-CG 4.38Å; Y191-Y195 AromaticContact CE2-CD2 3.27Å; Y191-Y195 HydrophobicContact CE2-CD2 3.27Å; Y191-Y195 AromaticContact CE2-CE2 3.96Å; Y191-Y195 HydrophobicContact CE2-CE2 3.96Å; Y191-Y195 AromaticContact CE2-CG 3.78Å; Y191-Y195 HydrophobicContact CE2-CG 3.78Å; Y191-Y195 HydrophobicContact CG-CD2 4.41Å; Y191-Y195 PolarHBondContact O-N 3.4Å
192L98.6Very high97.3Very high1 Ų133.5 Ų33.51%0.00516%0.158CC..Hα-helixtrans-71.1-15.4-178-65.9-176.5000115V149 L168 S188 F189 K194 Y195 I197 V223V149-L192 HydrophobicContact CG2-CD1 3.79Å; L168-L192 HydrophobicContact CD2-CD1 4.14Å; L168-L192 HydrophobicContact CD2-CD2 3.91Å; L168-L192 HydrophobicContact CD2-CG 3.95Å; S188-L192 VanDerWaalsContact O-CG 3.3Å; S188-L192 WeakPolarHBondContact O-CG 3.19Å; S188-L192 PolarHBondContact O-N 2.96Å; F189-L192 CarbonylContact O-C 3.49Å; F189-L192 WeakPolarHBondContact O-CA 3.47Å; F189-L192 PolarHBondContact O-N 3.35Å; L192-K194 PolarHBondContact O-N 2.79Å; L192-Y195 WeakPolarHBondContact CA-O 3.09Å; L192-Y195 WeakPolarHBondContact CD2-O 3.42Å; L192-I197 HydrophobicContact CD1-CB 4.37Å; L192-I197 HydrophobicContact CD1-CD1 4.07Å; L192-I197 HydrophobicContact CD2-CB 3.63Å; L192-I197 HydrophobicContact CD2-CD1 4.29Å; L192-I197 HydrophobicContact CD2-CG1 4.29Å; L192-V223 HydrophobicContact CB-CB 3.93Å; L192-V223 HydrophobicContact CB-CG2 3.57Å; L192-V223 HydrophobicContact CD1-CG2 4.14Å; L192-V223 PolarHBondContact O-N 2.95Å
193E97.3Very high97.4Very high58 Ų5833.6 Ų33.627%0.27116%0.158SC..Hα-helixtrans-65.7-27.9167-7218016700112.4F189 Y191 K222 V223 K225 F226F189-E193 PolarHBondContact O-N 3.09Å; Y191-E193 VanDerWaalsContact C-N 3.27Å; Y191-E193 PolarHBondContact O-N 2.9Å; E193-K222 WeakPolarHBondContact O-CE 3.37Å; E193-K222 PolarHBondContact O-NZ 3.38Å; E193-V223 VanDerWaalsContact CA-O 3.31Å; E193-V223 WeakPolarHBondContact CA-O 3.23Å; E193-V223 HydrophobicContact CG-CB 4.38Å; E193-V223 HydrophobicContact CG-CG1 4.04Å; E193-K225 VanDerWaalsContact OE1-CA 3.29Å; E193-K225 WeakPolarHBondContact OE1-CA 3.47Å; E193-F226 WeakPolarHBondContact OE1-CD1 3.04Å
194K97.8Very high97.6Very high132 Ų13240.4 Ų40.457%0.57419%0.188SC*.Hα-helixtrans-98.4-39.7-179.4-58.6-53-176.3-171.70112.3Y175 Y191 L192 K222Y175-K194 VanDerWaalsContact OH-CG 3.3Å; Y175-K194 WeakPolarHBondContact OH-CG 3.36Å; Y191-K194 PolarHBondContact O-N 3.01Å; L192-K194 PolarHBondContact O-N 2.79Å; K194-K222 VanDerWaalsContact O-CE 3.29Å; K194-K222 WeakPolarHBondContact O-CE 3.24Å; K194-K222 PolarHBondContact O-NZ 2.9Å
195Y98.4Very high97.8Very high101 Ų10142.2 Ų42.240%0.39620%0.195SC..SBendtrans-120.7127-172.3-56.6-80.1000111.6Y175 Y191 L192 F214Y175-Y195 HydrophobicContact CE2-CE2 4.19Å; Y175-Y195 WeakPolarHBondContact OH-CE2 3.49Å; Y191-Y195 AromaticContact CD2-CD2 3.5Å; Y191-Y195 HydrophobicContact CD2-CD2 3.5Å; Y191-Y195 VanDerWaalsContact CD2-CD2 3.5Å; Y191-Y195 HydrophobicContact CD2-CE2 4.1Å; Y191-Y195 HydrophobicContact CD2-CG 4.38Å; Y191-Y195 AromaticContact CE2-CD2 3.27Å; Y191-Y195 HydrophobicContact CE2-CD2 3.27Å; Y191-Y195 AromaticContact CE2-CE2 3.96Å; Y191-Y195 HydrophobicContact CE2-CE2 3.96Å; Y191-Y195 AromaticContact CE2-CG 3.78Å; Y191-Y195 HydrophobicContact CE2-CG 3.78Å; Y191-Y195 HydrophobicContact CG-CD2 4.41Å; Y191-Y195 PolarHBondContact O-N 3.4Å; L192-Y195 WeakPolarHBondContact CA-O 3.09Å; L192-Y195 WeakPolarHBondContact CD2-O 3.42Å; Y195-F214 HydrophobicContact CD1-CD1 4.29Å; Y195-F214 AromaticContact CD1-CE1 3.76Å; Y195-F214 HydrophobicContact CD1-CE1 3.76Å; Y195-F214 HydrophobicContact CG-CE1 4.35Å
196P98.3Very high97.9Very high16 Ų1646 Ų4610%0.10421%0.214CC..PPolyproline II helixtrans-65.5140.3175.227.2-34.2000111.1Q167 F214 K216 V221 K222Q167-P196 PolarHBondContact NE2-O 3.04Å; P196-F214 HydrophobicContact CG-CE2 4.47Å; P196-F214 HydrophobicContact CG-CZ 3.99Å; P196-F214 WeakPolarHBondContact O-CE2 3.29Å; P196-K216 HydrophobicContact CG-CG 4.4Å; P196-V221 CarbonylContact C-O 3.52Å; P196-V221 WeakPolarHBondContact CA-O 3.33Å; P196-V221 WeakPolarHBondContact CB-O 3.23Å; P196-K222 HydrophobicContact CB-CG 3.62Å; P196-K222 HydrophobicContact CG-CG 4.26Å
197I98.7Very high98Very high1 Ų145.9 Ų45.91%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-79.1130.5177.2-170.4161.3000110.8V149 L163 L168 L192 V220 V221V149-I197 HydrophobicContact CG1-CG2 4.23Å; L163-I197 HydrophobicContact CB-CD1 3.81Å; L163-I197 HydrophobicContact CB-CG1 4.11Å; L163-I197 HydrophobicContact CD1-CD1 4.33Å; L163-I197 HydrophobicContact CD1-CG2 3.79Å; L163-I197 HydrophobicContact CD2-CG2 4Å; L163-I197 HydrophobicContact CG-CG2 4.33Å; L168-I197 HydrophobicContact CD1-CD1 4.4Å; L168-I197 HydrophobicContact CG-CD1 4.35Å; L192-I197 HydrophobicContact CD1-CB 4.37Å; L192-I197 HydrophobicContact CD1-CD1 4.07Å; L192-I197 HydrophobicContact CD2-CB 3.63Å; L192-I197 HydrophobicContact CD2-CD1 4.29Å; L192-I197 HydrophobicContact CD2-CG1 4.29Å; I197-V220 WeakPolarHBondContact O-CB 2.93Å; I197-V220 PolarHBondContact O-N 3.32Å; I197-V221 HydrophobicContact CG2-CG1 3.98Å; I197-V221 PolarHBondContact N-O 3.33Å
198E98.8Very high98.1Very high0 Ų048.8 Ų48.80%023%0.231CC..EExtended strand (participates in β ladder)trans-73.3161.6172.6-67.4-172.5-121.500110.8S164 D202 F214 R215 K218S164-E198 PolarHBondContact N-O 2.91Å; E198-D202 HydrophobicContact CB-CB 4.37Å; E198-F214 HydrophobicContact CG-CD2 4.03Å; E198-F214 HydrophobicContact CG-CE2 4.11Å; E198-F214 WeakPolarHBondContact OE1-CA 3.44Å; E198-F214 VanDerWaalsContact OE1-CD2 3.28Å; E198-F214 WeakPolarHBondContact OE1-CD2 3.38Å; E198-R215 PolarHBondContact OE1-N 2.85Å; E198-K218 HydrophobicContact CG-CB 3.85Å; E198-K218 WeakPolarHBondContact OE2-CB 3.39Å; E198-K218 WeakPolarHBondContact OE2-CD 3.38Å
199S98.6Very high98.1Very high14 Ų1451.7 Ų51.710%0.09825%0.247CC..BIsolated β-bridgetrans-72.7154.2170.377.10000111S162 K201 D202 Y203S162-S199 CarbonylContact O-C 3.56Å; S162-S199 WeakPolarHBondContact O-CA 3.49Å; S199-K201 PolarHBondContact O-N 3.17Å; S199-K201 VanDerWaalsContact O-N 3.16Å; S199-K201 PolarHBondContact OG-N 2.84Å; S199-D202 PolarHBondContact O-N 3.09Å; S199-D202 PolarHBondContact OG-N 3.32Å; S199-D202 PolarHBondContact OG-OD2 2.72Å; S199-Y203 PolarHBondContact O-N 2.96Å
200E98.5Very high98.1Very high43 Ų4353.9 Ų53.920%0.20126%0.263CS..THydrogen-bonded Turntrans-54.9-31.5171.2176.256.2-155.900111.8S162 D202 Y203 K204 Y205S162-E200 PolarHBondContact O-N 3.01Å; E200-D202 VanDerWaalsContact C-N 3.34Å; E200-D202 PolarHBondContact O-N 3.22Å; E200-Y203 CarbonylContact O-C 3.56Å; E200-K204 VanDerWaalsContact O-CA 3.31Å; E200-K204 WeakPolarHBondContact O-CA 3.2Å; E200-K204 WeakPolarHBondContact O-CG 3.19Å; E200-K204 PolarHBondContact O-N 3.02Å; E200-Y205 WeakPolarHBondContact OE1-CB 3.26Å; E200-Y205 PolarHBondContact OE1-N 2.68Å
201K98.2Very high98.2Very high178 Ų17857 Ų5777%0.77428%0.283SS*.THydrogen-bonded Turntrans-66.5-36.5176.8-179-177.5175.5-176.60112.2S199S199-K201 PolarHBondContact O-N 3.17Å; S199-K201 VanDerWaalsContact O-N 3.16Å; S199-K201 PolarHBondContact OG-N 2.84Å
202D98.5Very high98.2Very high56 Ų5660 Ų6030%0.29930%0.304SS..THydrogen-bonded Turntrans-87.4-28.2-174.2-79.8-56.6000113.8E198 S199 E200 R215 K218E198-D202 HydrophobicContact CB-CB 4.37Å; S199-D202 PolarHBondContact O-N 3.09Å; S199-D202 PolarHBondContact OG-N 3.32Å; S199-D202 PolarHBondContact OG-OD2 2.72Å; E200-D202 VanDerWaalsContact C-N 3.34Å; E200-D202 PolarHBondContact O-N 3.22Å; D202-R215 PolarHBondContact O-NH2 3.44Å; D202-K218 HydrophobicContact CB-CB 4.44Å; D202-K218 HydrophobicContact CB-CD 3.86Å; D202-K218 WeakPolarHBondContact OD1-CD 3.15Å; D202-K218 IonicContact OD1-NZ 2.81Å; D202-K218 PolarHBondContact OD1-NZ 3.2Å
203Y98.6Very high98.2Very high1 Ų164.2 Ų64.20%0.00432%0.323CS..SBendtrans-138.390.1176.4-162.2-33.9000108.2S164 Q166 Q167 D170 S199 E200 H213 F214S164-Y203 VanDerWaalsContact CB-O 3.23Å; S164-Y203 WeakPolarHBondContact CB-O 3.21Å; S164-Y203 WeakPolarHBondContact OG-CB 3.39Å; S164-Y203 PolarHBondContact OG-O 3.47Å; Q166-Y203 HydrophobicContact CB-CD1 3.72Å; Q166-Y203 HydrophobicContact CB-CE1 3.76Å; Q166-Y203 HydrophobicContact CG-CD1 3.88Å; Q166-Y203 HydrophobicContact CG-CE1 3.45Å; Q166-Y203 VanDerWaalsContact CG-CE1 3.45Å; Q167-Y203 HydrophobicContact CB-CD2 3.84Å; Q167-Y203 HydrophobicContact CB-CE2 4.01Å; Q167-Y203 HydrophobicContact CB-CG 4.24Å; Q167-Y203 HydrophobicContact CG-CD2 4.36Å; Q167-Y203 HydrophobicContact CG-CE2 4.35Å; D170-Y203 VanDerWaalsContact CB-OH 3.31Å; D170-Y203 WeakPolarHBondContact CB-OH 3.24Å; D170-Y203 WeakPolarHBondContact OD2-CE1 3.16Å; D170-Y203 PolarHBondContact OD2-OH 2.79Å; S199-Y203 PolarHBondContact O-N 2.96Å; E200-Y203 CarbonylContact O-C 3.56Å; Y203-H213 AromaticContact CD1-CE1 3.93Å; Y203-H213 AromaticContact CD1-NE2 3.56Å; Y203-H213 AromaticContact CE1-CE1 3.09Å; Y203-H213 WeakPolarHBondContact CE1-CE1 3.42Å; Y203-H213 AromaticContact CE1-ND1 3.87Å; Y203-H213 AromaticContact CE1-NE2 3.19Å; Y203-H213 WeakPolarHBondContact CE1-NE2 3.44Å; Y203-H213 AromaticContact CE2-CD2 3.84Å; Y203-H213 AromaticContact CE2-NE2 3.88Å; Y203-H213 AromaticContact CZ-CD2 3.71Å; Y203-H213 AromaticContact CZ-CE1 3.18Å; Y203-H213 AromaticContact CZ-CG 3.79Å; Y203-H213 AromaticContact CZ-ND1 3.46Å; Y203-H213 AromaticContact CZ-NE2 3.36Å; Y203-H213 PolarHBondContact OH-CE1 3.04Å; Y203-H213 PolarHBondContact OH-N 2.97Å; Y203-H213 PolarHBondContact OH-ND1 3.27Å; Y203-F214 HydrophobicContact CE2-CB 4.41Å
204K98.4Very high98.2Very high144 Ų14463.5 Ų63.563%0.62632%0.319SS*.  trans-74.2145.5-171-66.5-179.3179.1-179.40112.8Q166 E200Q166-K204 WeakPolarHBondContact CB-O 3.31Å; E200-K204 VanDerWaalsContact O-CA 3.31Å; E200-K204 WeakPolarHBondContact O-CA 3.2Å; E200-K204 WeakPolarHBondContact O-CG 3.19Å; E200-K204 PolarHBondContact O-N 3.02Å
205Y98.7Very high98.3Very high42 Ų4262.4 Ų62.417%0.16531%0.312CS..  trans-68.7131169.4-166.4-107.6000112.7N133 Q134 S139 F143 E165 Q166 V169 E200 G207N133-Y205 WeakPolarHBondContact O-CE1 3.47Å; Q134-Y205 WeakPolarHBondContact CA-OH 3.39Å; Q134-Y205 PolarHBondContact O-OH 2.79Å; S139-Y205 PolarHBondContact OG-OH 2.94Å; F143-Y205 HydrophobicContact CE2-CD2 4.41Å; F143-Y205 HydrophobicContact CE2-CE1 4.2Å; F143-Y205 AromaticContact CE2-CE2 3.74Å; F143-Y205 HydrophobicContact CE2-CE2 3.74Å; F143-Y205 AromaticContact CE2-CZ 3.61Å; F143-Y205 HydrophobicContact CZ-CD1 4.01Å; F143-Y205 AromaticContact CZ-CD2 4Å; F143-Y205 HydrophobicContact CZ-CD2 4Å; F143-Y205 AromaticContact CZ-CE1 3.74Å; F143-Y205 HydrophobicContact CZ-CE1 3.74Å; F143-Y205 AromaticContact CZ-CE2 3.73Å; F143-Y205 HydrophobicContact CZ-CE2 3.73Å; F143-Y205 HydrophobicContact CZ-CG 4.13Å; F143-Y205 AromaticContact CZ-CZ 3.58Å; E165-Y205 HydrophobicContact CB-CD2 4.05Å; E165-Y205 HydrophobicContact CB-CE2 4.35Å; Q166-Y205 HydrophobicContact CB-CD2 4.25Å; V169-Y205 HydrophobicContact CG2-CE2 4.48Å; E200-Y205 WeakPolarHBondContact OE1-CB 3.26Å; E200-Y205 PolarHBondContact OE1-N 2.68Å; Y205-G207 VanDerWaalsContact CE1-CA 3.46Å
206I98.2Very high98.2Very high82 Ų8265.5 Ų65.542%0.42133%0.327SS..  trans-121.9-7.6178.563.8178.3000113.2Q166 H208Q166-I206 HydrophobicContact CG-CG1 4.35Å; I206-H208 VanDerWaalsContact C-N 3.35Å; I206-H208 WeakPolarHBondContact CD1-CE1 3.48Å; I206-H208 PolarHBondContact O-CD2 2.99Å; I206-H208 PolarHBondContact O-N 2.86Å
207G97.3Very high98.2Very high20 Ų2070.3 Ų70.321%0.20636%0.361CS..SBendtrans7519.6170.500000115.5C137 Y205C137-G207 WeakPolarHBondContact CB-O 3.49Å; Y205-G207 VanDerWaalsContact CE1-CA 3.46Å
208H97.7Very high98.2Very high105 Ų10573.3 Ų73.349%0.48637%0.374SS..SBendtrans-152.9166171.262.780.4000109.9Q166 C180 I206Q166-H208 PolarHBondContact NE2-O 3Å; C180-H208 VanDerWaalsContact SG-CA 3.54Å; I206-H208 VanDerWaalsContact C-N 3.35Å; I206-H208 WeakPolarHBondContact CD1-CE1 3.48Å; I206-H208 PolarHBondContact O-CD2 2.99Å; I206-H208 PolarHBondContact O-N 2.86Å
209D97.8Very high98.2Very high61 Ų6174.5 Ų74.533%0.32639%0.387SS..  trans-64.8143.4176.3-60.1-54.1000111.6Y173 G179 C180Y173-D209 PolarHBondContact OH-OD1 3.17Å; G179-D209 WeakPolarHBondContact CA-OD1 3.33Å; C180-D209 PolarHBondContact N-OD1 2.97Å
210S97.9Very high98.1Very high47 Ų4776.3 Ų76.333%0.32940%0.397SS..  trans-147.2172.5174-169.70000111.3D170D170-S210 PolarHBondContact OD1-N 2.87Å
211S97.9Very high98.1Very high91 Ų9175.2 Ų75.264%0.63639%0.393SS*.  trans-68.7132.5172.459.80000110.8H213S211-H213 PolarHBondContact O-N 3.38Å; S211-H213 VanDerWaalsContact O-N 3.17Å; S211-H213 PolarHBondContact O-ND1 3.21Å
212C98.5Very high98Very high68 Ų6871.1 Ų71.146%0.45938%0.375SS..  trans-56.6119.1173178.50000111.5D170 C171D170-C212 HydrophobicContact CB-CB 4.33Å; C171-C212 HydrophobicContact CB-CB 3.88Å; C171-C212 WeakPolarHBondContact CB-SG 3.03Å; C171-C212 VanDerWaalsContact SG-CA 3.57Å; C171-C212 WeakPolarHBondContact SG-CB 3.46Å; C171-C212 CovalentContact SG-SG 2.04Å; C171-C212 PolarHBondContact SG-SG 3.34Å
213H97.8Very high97.9Very high89 Ų8968.7 Ų68.741%0.41236%0.363SS..  trans-125.431.917856.4-87.4000112.2D170 Y203 S211D170-H213 IonicContact OD2-CE1 3.03Å; Y203-H213 AromaticContact CD1-CE1 3.93Å; Y203-H213 AromaticContact CD1-NE2 3.56Å; Y203-H213 AromaticContact CE1-CE1 3.09Å; Y203-H213 WeakPolarHBondContact CE1-CE1 3.42Å; Y203-H213 AromaticContact CE1-ND1 3.87Å; Y203-H213 AromaticContact CE1-NE2 3.19Å; Y203-H213 WeakPolarHBondContact CE1-NE2 3.44Å; Y203-H213 AromaticContact CE2-CD2 3.84Å; Y203-H213 AromaticContact CE2-NE2 3.88Å; Y203-H213 AromaticContact CZ-CD2 3.71Å; Y203-H213 AromaticContact CZ-CE1 3.18Å; Y203-H213 AromaticContact CZ-CG 3.79Å; Y203-H213 AromaticContact CZ-ND1 3.46Å; Y203-H213 AromaticContact CZ-NE2 3.36Å; Y203-H213 PolarHBondContact OH-CE1 3.04Å; Y203-H213 PolarHBondContact OH-N 2.97Å; Y203-H213 PolarHBondContact OH-ND1 3.27Å; S211-H213 PolarHBondContact O-N 3.38Å; S211-H213 VanDerWaalsContact O-N 3.17Å; S211-H213 PolarHBondContact O-ND1 3.21Å
214F98.3Very high97.7Very high42 Ų4276.3 Ų76.318%0.18440%0.396CS..  trans-56135.5177.9164-110.4000112.4Q167 Y195 P196 E198 Y203 K216Q167-F214 HydrophobicContact CG-CD2 4.32Å; Y195-F214 HydrophobicContact CD1-CD1 4.29Å; Y195-F214 AromaticContact CD1-CE1 3.76Å; Y195-F214 HydrophobicContact CD1-CE1 3.76Å; Y195-F214 HydrophobicContact CG-CE1 4.35Å; P196-F214 HydrophobicContact CG-CE2 4.47Å; P196-F214 HydrophobicContact CG-CZ 3.99Å; P196-F214 WeakPolarHBondContact O-CE2 3.29Å; E198-F214 HydrophobicContact CG-CD2 4.03Å; E198-F214 HydrophobicContact CG-CE2 4.11Å; E198-F214 WeakPolarHBondContact OE1-CA 3.44Å; E198-F214 VanDerWaalsContact OE1-CD2 3.28Å; E198-F214 WeakPolarHBondContact OE1-CD2 3.38Å; Y203-F214 HydrophobicContact CE2-CB 4.41Å; F214-K216 HydrophobicContact CE1-CB 4.09Å; F214-K216 VanDerWaalsContact CZ-CA 3.43Å; F214-K216 HydrophobicContact CZ-CB 4Å
215R98.4Very high97.6Very high109 Ų10972.7 Ų72.741%0.41138%0.38SS..  trans-119.6111.4175.4-67.7175.3-65.7-160.9-10110.6E198 D202 S217 K218E198-R215 PolarHBondContact OE1-N 2.85Å; D202-R215 PolarHBondContact O-NH2 3.44Å; R215-S217 PolarHBondContact O-N 3.41Å; R215-K218 HydrophobicContact CB-CB 4.44Å; R215-K218 HydrophobicContact CB-CG 4.29Å; R215-K218 VanDerWaalsContact NH2-CE 3.29Å; R215-K218 PolarHBondContact O-N 2.87Å
216K97.6Very high97.3Very high167 Ų16772.2 Ų72.273%0.72638%0.379SS*.G310 helixtrans-52.9-34.1178.2-172.8178.4177.3-1770114.1P196 F214 K218 G219P196-K216 HydrophobicContact CG-CG 4.4Å; F214-K216 HydrophobicContact CE1-CB 4.09Å; F214-K216 VanDerWaalsContact CZ-CA 3.43Å; F214-K216 HydrophobicContact CZ-CB 4Å; K216-K218 PolarHBondContact O-N 3.06Å; K216-G219 PolarHBondContact O-N 3.35Å
217S98.1Very high97.1Very high117 Ų11768.9 Ų68.982%0.81836%0.362SS*.G310 helixtrans-66.3-14.9178.457.20000114.3R215R215-S217 PolarHBondContact O-N 3.41Å
218K98.4Very high96.9Very high63 Ų6370.6 Ų70.627%0.27437%0.367SS..G310 helixtrans-106.7-0.3179.5-65.7-163.4168.5-154.70113.9E198 D202 R215 K216 V220E198-K218 HydrophobicContact CG-CB 3.85Å; E198-K218 WeakPolarHBondContact OE2-CB 3.39Å; E198-K218 WeakPolarHBondContact OE2-CD 3.38Å; D202-K218 HydrophobicContact CB-CB 4.44Å; D202-K218 HydrophobicContact CB-CD 3.86Å; D202-K218 WeakPolarHBondContact OD1-CD 3.15Å; D202-K218 IonicContact OD1-NZ 2.81Å; D202-K218 PolarHBondContact OD1-NZ 3.2Å; R215-K218 HydrophobicContact CB-CB 4.44Å; R215-K218 HydrophobicContact CB-CG 4.29Å; R215-K218 VanDerWaalsContact NH2-CE 3.29Å; R215-K218 PolarHBondContact O-N 2.87Å; K216-K218 PolarHBondContact O-N 3.06Å; K218-V220 PolarHBondContact O-N 3Å
219G98.3Very high96.6Very high26 Ų2666.1 Ų66.127%0.26835%0.346SS..EExtended strand (participates in β ladder)trans-64.4128.8177.300000111.9K216K216-G219 PolarHBondContact O-N 3.35Å
220V98.1Very high96.3Very high52 Ų5264.6 Ų64.632%0.31534%0.34SS..EExtended strand (participates in β ladder)trans-83.5-45.7-177.7177.50000111.3L153 I161 L163 I197 K218L153-V220 HydrophobicContact CD2-CG1 4.07Å; I161-V220 HydrophobicContact CD1-CG1 3.65Å; I161-V220 HydrophobicContact CG2-CG1 4.34Å; I161-V220 HydrophobicContact CG2-CG2 4.33Å; L163-V220 HydrophobicContact CD2-CB 4.21Å; L163-V220 HydrophobicContact CD2-CG1 4.3Å; L163-V220 HydrophobicContact CD2-CG2 4.38Å; I197-V220 WeakPolarHBondContact O-CB 2.93Å; I197-V220 PolarHBondContact O-N 3.32Å; K218-V220 PolarHBondContact O-N 3Å
221V97.6Very high96Very high19 Ų1964.3 Ų64.312%0.11534%0.34CS..EExtended strand (participates in β ladder)trans-156.5154.9-177.6760000111.6V149 L153 P196 I197 L330V149-V221 HydrophobicContact CG1-CG1 3.84Å; L153-V221 HydrophobicContact CD1-CB 3.97Å; L153-V221 HydrophobicContact CD1-CG1 4.11Å; L153-V221 HydrophobicContact CD1-CG2 4.11Å; P196-V221 CarbonylContact C-O 3.52Å; P196-V221 WeakPolarHBondContact CA-O 3.33Å; P196-V221 WeakPolarHBondContact CB-O 3.23Å; I197-V221 HydrophobicContact CG2-CG1 3.98Å; I197-V221 PolarHBondContact N-O 3.33Å; V221-L330 HydrophobicContact CG1-CD1 4.4Å; V221-L330 HydrophobicContact CG1-CD2 4.1Å; V221-L330 HydrophobicContact CG2-CD1 4.01Å; V221-L330 HydrophobicContact CG2-CD2 3.96Å; V221-L330 HydrophobicContact CG2-CG 4.37Å
222K95.3Very high95.8Very high92 Ų9267 Ų6740%0.434%0.336SS..  trans-107.3147.1169.8-68.6-16761175.30110.6E193 K194 P196 L330E193-K222 WeakPolarHBondContact O-CE 3.37Å; E193-K222 PolarHBondContact O-NZ 3.38Å; K194-K222 VanDerWaalsContact O-CE 3.29Å; K194-K222 WeakPolarHBondContact O-CE 3.24Å; K194-K222 PolarHBondContact O-NZ 2.9Å; P196-K222 HydrophobicContact CB-CG 3.62Å; P196-K222 HydrophobicContact CG-CG 4.26Å; K222-L330 WeakPolarHBondContact O-CD2 3.24Å
223V96.8Very high95.6Very high5 Ų566.4 Ų66.43%0.0333%0.328CS..  trans-74.5137.8164.4173.90000108.2V149 L192 E193 K225 P328 L330V149-V223 HydrophobicContact CG2-CG2 4.04Å; L192-V223 HydrophobicContact CB-CB 3.93Å; L192-V223 HydrophobicContact CB-CG2 3.57Å; L192-V223 HydrophobicContact CD1-CG2 4.14Å; L192-V223 PolarHBondContact O-N 2.95Å; E193-V223 VanDerWaalsContact CA-O 3.31Å; E193-V223 WeakPolarHBondContact CA-O 3.23Å; E193-V223 HydrophobicContact CG-CB 4.38Å; E193-V223 HydrophobicContact CG-CG1 4.04Å; V223-K225 WeakPolarHBondContact CG1-O 3.33Å; V223-P328 HydrophobicContact CB-CB 4.4Å; V223-P328 HydrophobicContact CG1-CB 3.78Å; V223-P328 HydrophobicContact CG2-CB 3.68Å; V223-L330 HydrophobicContact CG2-CD2 4.28Å
224K95.8Very high95.6Very high161 Ų16163 Ų6370%0.731%0.313SS*.  trans-86.2-49.8174.1179.3-176.2176.6-175.80110.7L329K224-L329 WeakPolarHBondContact CB-O 3.37Å; K224-L329 PolarHBondContact N-O 2.88Å
225K94.6Very high95.5Very high69 Ų6966.3 Ų66.330%0.333%0.329SS..EExtended strand (participates in β ladder)trans-153.5169.417367.1175.6-175.9169.30109.5E107 E193 V223 L329E107-K225 IonicContact OE2-NZ 2.69Å; E107-K225 PolarHBondContact OE2-NZ 2.83Å; E193-K225 VanDerWaalsContact OE1-CA 3.29Å; E193-K225 WeakPolarHBondContact OE1-CA 3.47Å; V223-K225 WeakPolarHBondContact CG1-O 3.33Å; K225-L329 HydrophobicContact CD-CD1 4.49Å; K225-L329 HydrophobicContact CG-CB 4.27Å; K225-L329 HydrophobicContact CG-CD1 4.08Å; K225-L329 PolarHBondContact N-O 2.95Å; K225-L329 PolarHBondContact O-N 2.69Å
226F93.9Very high95.4Very high32 Ų3263.3 Ų63.314%0.1432%0.319CS..EExtended strand (participates in β ladder)trans-125.5156.116863.8-79.4000111.1D186 F189 A190 E193 F327D186-F226 HydrophobicContact CB-CD2 4.37Å; D186-F226 HydrophobicContact CB-CE2 3.68Å; D186-F226 HydrophobicContact CB-CZ 4.2Å; F189-F226 HydrophobicContact CB-CB 3.76Å; F189-F226 HydrophobicContact CB-CD1 3.7Å; F189-F226 HydrophobicContact CB-CD2 4.39Å; F189-F226 HydrophobicContact CB-CE1 4.39Å; F189-F226 HydrophobicContact CB-CG 3.7Å; F189-F226 HydrophobicContact CD2-CB 3.77Å; F189-F226 HydrophobicContact CD2-CD2 4.17Å; F189-F226 HydrophobicContact CD2-CG 4.05Å; F189-F226 HydrophobicContact CG-CB 4.01Å; F189-F226 HydrophobicContact CG-CG 4.31Å; A190-F226 HydrophobicContact CB-CE1 4.24Å; E193-F226 WeakPolarHBondContact OE1-CD1 3.04Å; F226-F327 CarbonylContact C-O 3.6Å; F226-F327 WeakPolarHBondContact CA-O 3.49Å; F226-F327 WeakPolarHBondContact CB-O 3.17Å
227V93.2Very high95.3Very high12 Ų1255.3 Ų55.37%0.07328%0.284CS..EExtended strand (participates in β ladder)trans-119.1128.2-176.4178.40000108.3L109 S326 F327 L329L109-V227 HydrophobicContact CB-CG1 4.23Å; L109-V227 HydrophobicContact CD1-CG2 4.36Å; V227-S326 CarbonylContact O-C 3.46Å; V227-S326 WeakPolarHBondContact O-CA 3.29Å; V227-S326 WeakPolarHBondContact O-CB 3Å; V227-F327 HydrophobicContact CB-CD1 4.24Å; V227-F327 HydrophobicContact CB-CE1 3.68Å; V227-F327 HydrophobicContact CB-CE2 4.32Å; V227-F327 HydrophobicContact CB-CZ 3.74Å; V227-F327 HydrophobicContact CG1-CE1 3.77Å; V227-F327 HydrophobicContact CG1-CZ 3.96Å; V227-F327 HydrophobicContact CG2-CE2 4.4Å; V227-F327 HydrophobicContact CG2-CZ 4.09Å; V227-F327 PolarHBondContact N-O 3.33Å; V227-F327 PolarHBondContact O-N 3.04Å; V227-L329 HydrophobicContact CG2-CD1 3.81Å; V227-L329 HydrophobicContact CG2-CG 4.31Å
228D92.7Very high95.3Very high55 Ų5551 Ų5129%0.29425%0.251SS..EExtended strand (participates in β ladder)trans-94.8132.3168.9-56.7-41.3000108.2K106 S326K106-D228 WeakPolarHBondContact CD-OD2 3.31Å; K106-D228 IonicContact NZ-OD2 2.64Å; K106-D228 PolarHBondContact NZ-OD2 3.04Å; D228-S326 WeakPolarHBondContact OD1-CB 3.49Å
229L92.3Very high95.2Very high12 Ų1249 Ų496%0.06324%0.242CC..PPolyproline II helixtrans-84.5152.4176.4-63.5179.1000110.4A231 L237 A240 I247 A325 F327L229-A231 PolarHBondContact O-N 3.24Å; L229-L237 HydrophobicContact CD1-CB 4.36Å; L229-L237 HydrophobicContact CD1-CD1 4Å; L229-A240 HydrophobicContact CD1-CB 3.49Å; L229-A240 VanDerWaalsContact CD1-CB 3.49Å; L229-A240 HydrophobicContact CD2-CB 3.75Å; L229-A240 HydrophobicContact CG-CB 4.25Å; L229-I247 HydrophobicContact CD1-CG2 4.35Å; L229-A325 HydrophobicContact CB-CB 4.24Å; L229-A325 HydrophobicContact CD1-CB 4.07Å; L229-A325 PolarHBondContact N-O 2.72Å; L229-F327 HydrophobicContact CD2-CE1 3.88Å; L229-F327 HydrophobicContact CG-CE1 4.29Å
230P91.5Very high95.1Very high29 Ų2947.7 Ų47.719%0.18823%0.229CC..PPolyproline II helixtrans-51.3118.2172.5-29.937.3000111.8W102 R232 D233 K236W102-P230 VanDerWaalsContact CH2-CA 3.47Å; W102-P230 HydrophobicContact CH2-CB 3.72Å; W102-P230 HydrophobicContact CH2-CG 4.22Å; W102-P230 VanDerWaalsContact CZ3-CA 3.46Å; W102-P230 HydrophobicContact CZ3-CB 4.11Å; P230-R232 PolarHBondContact O-N 3.04Å; P230-D233 HydrophobicContact CB-CB 3.98Å; P230-D233 WeakPolarHBondContact O-CB 3.11Å; P230-D233 PolarHBondContact O-N 3.41Å; P230-D233 VanDerWaalsContact O-N 3.14Å; P230-K236 HydrophobicContact CG-CG 4.29Å
231A91.9Very high95.1Very high40 Ų4045.2 Ų45.233%0.33121%0.214SC..THydrogen-bonded Turntrans-52.8133.6179.900000111.3W102 L229 D233 A322W102-A231 HydrophobicContact CE3-CB 4.02Å; W102-A231 HydrophobicContact CZ3-CB 4.01Å; L229-A231 PolarHBondContact O-N 3.24Å; A231-D233 PolarHBondContact O-N 2.97Å; A231-A322 CarbonylContact C-O 3.48Å; A231-A322 WeakPolarHBondContact CA-O 3.2Å
232R93.6Very high95.1Very high148 Ų14847.5 Ų47.556%0.55822%0.221SC*.THydrogen-bonded Turntrans69.15.5177.3-46.5165.557-176.9-1.7114.4P230 E234 N317 A322P230-R232 PolarHBondContact O-N 3.04Å; R232-E234 PolarHBondContact O-N 3.14Å; R232-N317 HydrophobicContact CB-CB 4.49Å; R232-A322 PolarHBondContact N-O 2.85Å
233D94.5Very high95.1Very high55 Ų5545.3 Ų45.329%0.29421%0.212SC..  trans-88.891175.2-167.1-31.3000110.6P230 A231 E235 K236 L237P230-D233 HydrophobicContact CB-CB 3.98Å; P230-D233 WeakPolarHBondContact O-CB 3.11Å; P230-D233 PolarHBondContact O-N 3.41Å; P230-D233 VanDerWaalsContact O-N 3.14Å; A231-D233 PolarHBondContact O-N 2.97Å; D233-E235 PolarHBondContact O-N 3.38Å; D233-E235 WeakPolarHBondContact OD1-CA 3.35Å; D233-E235 WeakPolarHBondContact OD1-CB 3.37Å; D233-E235 PolarHBondContact OD1-N 3.28Å; D233-K236 HydrophobicContact CB-CB 4.03Å; D233-K236 HydrophobicContact CB-CG 4.1Å; D233-K236 PolarHBondContact O-N 2.85Å; D233-K236 PolarHBondContact OD1-N 2.83Å; D233-K236 WeakPolarHBondContact OD2-CG 3.24Å; D233-L237 PolarHBondContact O-N 2.85Å
234E97.7Very high95Very high19 Ų1947.2 Ų47.29%0.08922%0.219CC..Hα-helixtrans-64.3-24.6177.8-69.7-166.3-112.100112.6R232 Q238 W293 R313 N314 N317 A322R232-E234 PolarHBondContact O-N 3.14Å; E234-Q238 WeakPolarHBondContact O-CB 3.32Å; E234-Q238 PolarHBondContact O-N 3.1Å; E234-W293 HydrophobicContact CB-CZ2 4.16Å; E234-W293 HydrophobicContact CG-CZ2 4.49Å; E234-W293 PolarHBondContact OE2-NE1 3.11Å; E234-W293 VanDerWaalsContact OE2-NE1 3.09Å; E234-R313 WeakPolarHBondContact OE2-CG 3.03Å; E234-N314 WeakPolarHBondContact OE1-CA 3.23Å; E234-N314 PolarHBondContact OE1-N 2.63Å; E234-N314 PolarHBondContact OE2-N 3.23Å; E234-N317 WeakPolarHBondContact OE1-CA 3.22Å; E234-N317 PolarHBondContact OE1-N 3.44Å; E234-A322 HydrophobicContact CG-CB 4Å
235E95.7Very high95Very high110 Ų11039.6 Ų39.651%0.51419%0.186SC..Hα-helixtrans-73.5-47.1178-173.1-172.215400110.7D233 L237 Q238 K239D233-E235 PolarHBondContact O-N 3.38Å; D233-E235 WeakPolarHBondContact OD1-CA 3.35Å; D233-E235 WeakPolarHBondContact OD1-CB 3.37Å; D233-E235 PolarHBondContact OD1-N 3.28Å; E235-L237 VanDerWaalsContact C-N 3.31Å; E235-L237 PolarHBondContact O-N 3.4Å; E235-Q238 WeakPolarHBondContact O-CB 3.4Å; E235-Q238 PolarHBondContact O-N 3.21Å; E235-Q238 VanDerWaalsContact O-N 3.08Å; E235-K239 PolarHBondContact O-N 3.18Å; E235-K239 WeakPolarHBondContact OE1-CE 3.12Å; E235-K239 IonicContact OE1-NZ 2.74Å; E235-K239 PolarHBondContact OE1-NZ 2.76Å
236K94.9Very high95.2Very high46 Ų4636.3 Ų36.320%0.217%0.172CC..Hα-helixtrans-62-39.5174.3-68.4-81.6-175.8156.30111E108 L111 P230 D233 Q238 K239 A240E108-K236 IonicContact OE1-NZ 2.74Å; E108-K236 PolarHBondContact OE1-NZ 3.4Å; L111-K236 HydrophobicContact CD1-CB 4.24Å; L111-K236 HydrophobicContact CD1-CD 3.54Å; L111-K236 HydrophobicContact CD1-CG 4.48Å; P230-K236 HydrophobicContact CG-CG 4.29Å; D233-K236 HydrophobicContact CB-CB 4.03Å; D233-K236 HydrophobicContact CB-CG 4.1Å; D233-K236 PolarHBondContact O-N 2.85Å; D233-K236 PolarHBondContact OD1-N 2.83Å; D233-K236 WeakPolarHBondContact OD2-CG 3.24Å; K236-Q238 VanDerWaalsContact C-N 3.33Å; K236-Q238 PolarHBondContact O-N 3.24Å; K236-K239 PolarHBondContact O-N 2.88Å; K236-A240 VanDerWaalsContact O-CB 3.25Å; K236-A240 WeakPolarHBondContact O-CB 3.27Å; K236-A240 PolarHBondContact O-N 3.46Å
237L96.8Very high95.4Very high0 Ų034.8 Ų34.80%017%0.165CC..Hα-helixtrans-57.4-44.9170.2177.557.2000111.9L229 D233 E235 A240 L241 I247 V249 W293 I321 A322 A325L229-L237 HydrophobicContact CD1-CB 4.36Å; L229-L237 HydrophobicContact CD1-CD1 4Å; D233-L237 PolarHBondContact O-N 2.85Å; E235-L237 VanDerWaalsContact C-N 3.31Å; E235-L237 PolarHBondContact O-N 3.4Å; L237-A240 PolarHBondContact O-N 3.49Å; L237-L241 VanDerWaalsContact O-CB 3.31Å; L237-L241 WeakPolarHBondContact O-CB 3.24Å; L237-L241 PolarHBondContact O-N 2.79Å; L237-I247 HydrophobicContact CD1-CB 4.1Å; L237-I247 HydrophobicContact CD1-CG1 4.37Å; L237-I247 HydrophobicContact CD1-CG2 3.76Å; L237-V249 HydrophobicContact CD1-CG1 4Å; L237-V249 HydrophobicContact CD2-CG1 4.33Å; L237-W293 HydrophobicContact CB-CH2 4.13Å; L237-W293 HydrophobicContact CB-CZ2 4.35Å; L237-W293 HydrophobicContact CD2-CH2 3.99Å; L237-W293 HydrophobicContact CD2-CZ2 3.74Å; L237-W293 HydrophobicContact CG-CH2 3.73Å; L237-W293 HydrophobicContact CG-CZ2 3.99Å; L237-W293 HydrophobicContact CG-CZ3 4.21Å; L237-I321 HydrophobicContact CD2-CG1 4.26Å; L237-A322 HydrophobicContact CB-CB 4.43Å; L237-A322 HydrophobicContact CD2-CB 3.95Å; L237-A325 HydrophobicContact CD1-CB 3.94Å
238Q97.9Very high95.7Very high25 Ų2534.2 Ų34.212%0.11716%0.162CC..Hα-helixtrans-65-46.3-179.6-159.1-176.5-5.500111.8L116 E234 E235 K236 L241 Y242 Y284 W293 R313L116-Q238 HydrophobicContact CD1-CB 4Å; L116-Q238 HydrophobicContact CD1-CG 3.72Å; E234-Q238 WeakPolarHBondContact O-CB 3.32Å; E234-Q238 PolarHBondContact O-N 3.1Å; E235-Q238 WeakPolarHBondContact O-CB 3.4Å; E235-Q238 PolarHBondContact O-N 3.21Å; E235-Q238 VanDerWaalsContact O-N 3.08Å; K236-Q238 VanDerWaalsContact C-N 3.33Å; K236-Q238 PolarHBondContact O-N 3.24Å; Q238-L241 PolarHBondContact O-N 3.37Å; Q238-Y242 PolarHBondContact O-N 2.8Å; Q238-Y284 HydrophobicContact CG-CD1 3.66Å; Q238-Y284 HydrophobicContact CG-CD2 4.4Å; Q238-Y284 HydrophobicContact CG-CE1 3.52Å; Q238-Y284 HydrophobicContact CG-CE2 4.3Å; Q238-Y284 HydrophobicContact CG-CG 4.11Å; Q238-Y284 VanDerWaalsContact NE2-CD2 3.32Å; Q238-W293 HydrophobicContact CB-CH2 3.68Å; Q238-W293 HydrophobicContact CB-CZ3 4.23Å; Q238-W293 HydrophobicContact CG-CH2 4.07Å; Q238-W293 HydrophobicContact CG-CZ3 4.21Å; Q238-R313 VanDerWaalsContact OE1-NH1 3.1Å
239K96.9Very high95.9Very high21 Ų2131.6 Ų31.69%0.09115%0.148CC..Hα-helixtrans-61.1-47.4177.1-74.9179.5-180170.60111.1L111 N113 L116 E235 K236 L241 Y242 H243L111-K239 HydrophobicContact CB-CB 4.24Å; L111-K239 HydrophobicContact CB-CD 4.23Å; L111-K239 HydrophobicContact CD1-CB 3.98Å; L111-K239 HydrophobicContact CD2-CB 4.36Å; L111-K239 HydrophobicContact CG-CB 4.43Å; N113-K239 PolarHBondContact OD1-NZ 3.2Å; L116-K239 HydrophobicContact CD1-CB 4.49Å; L116-K239 HydrophobicContact CD1-CG 3.8Å; L116-K239 HydrophobicContact CD2-CG 4.37Å; L116-K239 HydrophobicContact CG-CG 4.35Å; E235-K239 PolarHBondContact O-N 3.18Å; E235-K239 WeakPolarHBondContact OE1-CE 3.12Å; E235-K239 IonicContact OE1-NZ 2.74Å; E235-K239 PolarHBondContact OE1-NZ 2.76Å; K236-K239 PolarHBondContact O-N 2.88Å; K239-L241 PolarHBondContact O-N 3.33Å; K239-Y242 PolarHBondContact O-N 3.09Å; K239-H243 WeakPolarHBondContact O-CB 3.45Å; K239-H243 PolarHBondContact O-CD2 3.07Å; K239-H243 PolarHBondContact O-N 3.36Å
240A96.2Very high96.1Very high0 Ų031 Ų310%015%0.145CC..Hα-helixtrans-61.5-45.317800000111.4L111 L229 K236 L237 Y242 H243 Y244 I247 F327L111-A240 HydrophobicContact CD2-CB 4.37Å; L229-A240 HydrophobicContact CD1-CB 3.49Å; L229-A240 VanDerWaalsContact CD1-CB 3.49Å; L229-A240 HydrophobicContact CD2-CB 3.75Å; L229-A240 HydrophobicContact CG-CB 4.25Å; K236-A240 VanDerWaalsContact O-CB 3.25Å; K236-A240 WeakPolarHBondContact O-CB 3.27Å; K236-A240 PolarHBondContact O-N 3.46Å; L237-A240 PolarHBondContact O-N 3.49Å; A240-Y242 PolarHBondContact O-N 2.96Å; A240-H243 PolarHBondContact O-N 2.77Å; A240-Y244 WeakPolarHBondContact O-CA 3.16Å; A240-Y244 VanDerWaalsContact O-CB 3.28Å; A240-Y244 WeakPolarHBondContact O-CB 3.36Å; A240-Y244 PolarHBondContact O-N 3.4Å; A240-I247 HydrophobicContact CB-CD1 4.2Å; A240-F327 HydrophobicContact CB-CE1 4.21Å
241L97.7Very high96.4Very high0 Ų029.7 Ų29.70%014%0.136CC..Hα-helixtrans-58-49176.8-171.7156.3000111.3W122 L237 Q238 K239 G245 I247 A281 Y284 W293W122-L241 PolarHBondContact NE1-O 3.02Å; L237-L241 VanDerWaalsContact O-CB 3.31Å; L237-L241 WeakPolarHBondContact O-CB 3.24Å; L237-L241 PolarHBondContact O-N 2.79Å; Q238-L241 PolarHBondContact O-N 3.37Å; K239-L241 PolarHBondContact O-N 3.33Å; L241-G245 WeakPolarHBondContact CA-O 3.48Å; L241-G245 CarbonylContact O-C 3.57Å; L241-G245 PolarHBondContact O-N 3.32Å; L241-I247 HydrophobicContact CB-CG1 3.9Å; L241-I247 HydrophobicContact CG-CG1 4.4Å; L241-A281 HydrophobicContact CD1-CB 3.67Å; L241-Y284 HydrophobicContact CD2-CD1 3.99Å; L241-Y284 HydrophobicContact CD2-CE1 4.15Å; L241-W293 HydrophobicContact CD1-CE3 4.34Å; L241-W293 HydrophobicContact CD1-CZ3 4.23Å
242Y96.9Very high96.6Very high66 Ų6628.5 Ų28.526%0.25912%0.124SC..Hα-helixtrans-64.5-47.6-179.7176.2-111.3000112.7L116 P117 W120 W122 Q238 K239 A240L116-Y242 HydrophobicContact CD2-CD1 3.35Å; L116-Y242 HydrophobicContact CD2-CE1 4.07Å; L116-Y242 HydrophobicContact CD2-CG 3.82Å; P117-Y242 HydrophobicContact CG-CD2 3.87Å; P117-Y242 HydrophobicContact CG-CE2 3.52Å; W120-Y242 HydrophobicContact CB-CD2 4.45Å; W120-Y242 AromaticContact CD2-CD2 3.54Å; W120-Y242 HydrophobicContact CD2-CD2 3.54Å; W120-Y242 AromaticContact CD2-CE2 3.71Å; W120-Y242 HydrophobicContact CD2-CE2 3.71Å; W120-Y242 AromaticContact CE2-CD2 3.76Å; W120-Y242 AromaticContact CE2-CE2 3.95Å; W120-Y242 AromaticContact CE3-CD2 3.81Å; W120-Y242 HydrophobicContact CE3-CD2 3.81Å; W120-Y242 AromaticContact CE3-CE2 3.49Å; W120-Y242 HydrophobicContact CE3-CE2 3.49Å; W120-Y242 VanDerWaalsContact CE3-CE2 3.49Å; W120-Y242 AromaticContact CG-CD2 3.85Å; W120-Y242 HydrophobicContact CG-CD2 3.85Å; W120-Y242 HydrophobicContact CG-CE2 4.46Å; W120-Y242 HydrophobicContact CH2-CD2 4.4Å; W120-Y242 AromaticContact CH2-CE2 3.76Å; W120-Y242 HydrophobicContact CH2-CE2 3.76Å; W120-Y242 HydrophobicContact CZ2-CD2 4.18Å; W120-Y242 AromaticContact CZ2-CE2 3.98Å; W120-Y242 HydrophobicContact CZ2-CE2 3.98Å; W120-Y242 HydrophobicContact CZ3-CD2 4.24Å; W120-Y242 AromaticContact CZ3-CE2 3.53Å; W120-Y242 HydrophobicContact CZ3-CE2 3.53Å; W122-Y242 VanDerWaalsContact CZ2-O 3.31Å; W122-Y242 WeakPolarHBondContact CZ2-O 3.42Å; Q238-Y242 PolarHBondContact O-N 2.8Å; K239-Y242 PolarHBondContact O-N 3.09Å; A240-Y242 PolarHBondContact O-N 2.96Å
243H94.7Very high96.7Very high47 Ų4721.5 Ų21.522%0.21810%0.098CC..Hα-helixtrans-81.3-32.4-173.8-71.5-66000113.2K155 K239 A240K155-H243 VanDerWaalsContact CE-O 3.31Å; K155-H243 WeakPolarHBondContact CE-O 3.47Å; K155-H243 PolarHBondContact NZ-O 2.8Å; K239-H243 WeakPolarHBondContact O-CB 3.45Å; K239-H243 PolarHBondContact O-CD2 3.07Å; K239-H243 PolarHBondContact O-N 3.36Å; A240-H243 PolarHBondContact O-N 2.77Å
244Y94.6Very high96.8Very high45 Ų4520.3 Ų20.318%0.1769%0.091CC..Hα-helixtrans-107.9-23.8-168.5-67.4-92.8000115.1L109 L111 Q152 K155 A240 F327 L329L109-Y244 HydrophobicContact CD1-CE1 4.19Å; L109-Y244 HydrophobicContact CD2-CD1 4.22Å; L109-Y244 HydrophobicContact CD2-CD2 3.93Å; L109-Y244 HydrophobicContact CD2-CE1 3.59Å; L109-Y244 HydrophobicContact CD2-CE2 3.3Å; L109-Y244 HydrophobicContact CD2-CG 4.36Å; L109-Y244 WeakPolarHBondContact CD2-OH 3.41Å; L109-Y244 HydrophobicContact CG-CE1 4.36Å; L109-Y244 HydrophobicContact CG-CE2 4.47Å; L111-Y244 HydrophobicContact CD2-CD2 4.02Å; L111-Y244 HydrophobicContact CD2-CE2 3.55Å; Q152-Y244 PolarHBondContact NE2-O 3.33Å; K155-Y244 VanDerWaalsContact CD-O 3.22Å; K155-Y244 WeakPolarHBondContact CD-O 3.36Å; A240-Y244 WeakPolarHBondContact O-CA 3.16Å; A240-Y244 VanDerWaalsContact O-CB 3.28Å; A240-Y244 WeakPolarHBondContact O-CB 3.36Å; A240-Y244 PolarHBondContact O-N 3.4Å; Y244-F327 AromaticContact CD1-CE2 3.64Å; Y244-F327 HydrophobicContact CD1-CE2 3.64Å; Y244-F327 HydrophobicContact CD1-CZ 4.16Å; Y244-F327 HydrophobicContact CD2-CE2 4.46Å; Y244-F327 HydrophobicContact CD2-CZ 4.31Å; Y244-F327 HydrophobicContact CE1-CE2 4.47Å; Y244-F327 HydrophobicContact CG-CD2 4.47Å; Y244-F327 AromaticContact CG-CE2 3.63Å; Y244-F327 HydrophobicContact CG-CE2 3.63Å; Y244-F327 AromaticContact CG-CZ 3.92Å; Y244-F327 HydrophobicContact CG-CZ 3.92Å; Y244-L329 HydrophobicContact CD1-CD2 4.01Å; Y244-L329 HydrophobicContact CE1-CD2 4.32Å
245G97Very high96.7Very high1 Ų122.1 Ų22.11%0.0110%0.102CC..  trans123.9-172.8-175.700000112.2W122 L241 I247W122-G245 VanDerWaalsContact CE2-CA 3.41Å; W122-G245 VanDerWaalsContact NE1-C 3.32Å; L241-G245 WeakPolarHBondContact CA-O 3.48Å; L241-G245 CarbonylContact O-C 3.57Å; L241-G245 PolarHBondContact O-N 3.32Å; G245-I247 WeakPolarHBondContact O-CD1 3.47Å; G245-I247 WeakPolarHBondContact O-CG1 3.36Å; G245-I247 PolarHBondContact O-N 3.32Å
246P98.6Very high96.8Very high0 Ų017.6 Ų17.60%08%0.081CC..SBendtrans-51.8136.9167.5-2735.3000112.8W122 V128 L280 A281 V282W122-P246 HydrophobicContact CB-CG 4.01Å; W122-P246 HydrophobicContact CG-CG 4.06Å; V128-P246 HydrophobicContact CG2-CG 4.01Å; P246-L280 HydrophobicContact CB-CD1 3.8Å; P246-L280 HydrophobicContact CB-CD2 3.78Å; P246-L280 HydrophobicContact CB-CG 3.81Å; P246-A281 CarbonylContact C-O 3.17Å; P246-A281 VanDerWaalsContact CA-O 3.23Å; P246-A281 WeakPolarHBondContact CA-O 3.37Å; P246-V282 HydrophobicContact CB-CG1 4.21Å; P246-V282 HydrophobicContact CG-CG1 4.42Å
247I98.6Very high96.9Very high0 Ų015.4 Ų15.40%07%0.071CC..EExtended strand (participates in β ladder)trans-115.2133.8-175-54.1-60.4000109.9L229 L237 A240 L241 G245 V249 A281 A325 S326 F327L229-I247 HydrophobicContact CD1-CG2 4.35Å; L237-I247 HydrophobicContact CD1-CB 4.1Å; L237-I247 HydrophobicContact CD1-CG1 4.37Å; L237-I247 HydrophobicContact CD1-CG2 3.76Å; A240-I247 HydrophobicContact CB-CD1 4.2Å; L241-I247 HydrophobicContact CB-CG1 3.9Å; L241-I247 HydrophobicContact CG-CG1 4.4Å; G245-I247 WeakPolarHBondContact O-CD1 3.47Å; G245-I247 WeakPolarHBondContact O-CG1 3.36Å; G245-I247 PolarHBondContact O-N 3.32Å; I247-V249 HydrophobicContact CG2-CG1 4.18Å; I247-A281 PolarHBondContact N-O 2.73Å; I247-A281 PolarHBondContact O-N 3.42Å; I247-A325 HydrophobicContact CG2-CB 4.32Å; I247-S326 WeakPolarHBondContact CG2-O 3.39Å; I247-F327 HydrophobicContact CD1-CB 3.71Å; I247-F327 HydrophobicContact CD1-CD1 3.72Å; I247-F327 HydrophobicContact CD1-CD2 4.41Å; I247-F327 HydrophobicContact CD1-CE1 4.48Å; I247-F327 HydrophobicContact CD1-CG 3.69Å
248S98.6Very high96.9Very high0 Ų015.4 Ų15.40%07%0.072CC..EExtended strand (participates in β ladder)trans-72.7129.8171.5-770000109.8S144 A148 A325 S326S144-S248 PolarHBondContact O-OG 3.01Å; S144-S248 WeakPolarHBondContact OG-CA 3.09Å; S144-S248 VanDerWaalsContact OG-CB 3.24Å; S144-S248 WeakPolarHBondContact OG-CB 3.4Å; S144-S248 PolarHBondContact OG-OG 3.45Å; A148-S248 WeakPolarHBondContact CB-OG 3.2Å; S248-A325 VanDerWaalsContact O-CA 3.32Å; S248-A325 WeakPolarHBondContact O-CA 3.49Å; S248-S326 VanDerWaalsContact CB-O 3.3Å; S248-S326 WeakPolarHBondContact CB-O 3.31Å; S248-S326 PolarHBondContact N-O 3.17Å; S248-S326 PolarHBondContact O-N 2.63Å
249V97.6Very high97Very high0 Ų014.2 Ų14.20%07%0.066CC..EExtended strand (participates in β ladder)trans-138.1152179.2-61.60000110.1L237 I247 V279 A281 I321 N324 A325L237-V249 HydrophobicContact CD1-CG1 4Å; L237-V249 HydrophobicContact CD2-CG1 4.33Å; I247-V249 HydrophobicContact CG2-CG1 4.18Å; V249-V279 HydrophobicContact CG2-CG2 3.54Å; V249-V279 PolarHBondContact N-O 3.31Å; V249-V279 PolarHBondContact O-N 2.99Å; V249-A281 HydrophobicContact CG1-CB 4.25Å; V249-A281 HydrophobicContact CG2-CB 4.29Å; V249-I321 HydrophobicContact CB-CD1 4.04Å; V249-I321 WeakPolarHBondContact CB-O 3.47Å; V249-I321 WeakPolarHBondContact CG1-O 3.39Å; V249-I321 HydrophobicContact CG2-CD1 3.43Å; V249-I321 VanDerWaalsContact CG2-CD1 3.43Å; V249-N324 WeakPolarHBondContact CA-O 3.11Å; V249-A325 HydrophobicContact CG1-CB 3.87Å
250A96.7Very high97Very high0 Ų013.3 Ų13.30%06%0.062CC..EExtended strand (participates in β ladder)trans-108.3146.6168.400000110.9F96 M185 L275 H277 G320 N324F96-A250 HydrophobicContact CD1-CB 3.83Å; F96-A250 HydrophobicContact CE1-CB 3.54Å; F96-A250 HydrophobicContact CE2-CB 4.45Å; F96-A250 HydrophobicContact CG-CB 4.44Å; F96-A250 HydrophobicContact CZ-CB 3.88Å; M185-A250 HydrophobicContact CE-CB 4.2Å; A250-L275 HydrophobicContact CB-CB 3.96Å; A250-L275 HydrophobicContact CB-CD1 3.58Å; A250-L275 HydrophobicContact CB-CG 4.37Å; A250-H277 CarbonylContact C-O 3.54Å; A250-H277 VanDerWaalsContact CA-O 3.29Å; A250-H277 WeakPolarHBondContact CA-O 3.39Å; A250-G320 VanDerWaalsContact O-O 3.14Å; A250-N324 HydrophobicContact CB-CB 4.13Å; A250-N324 PolarHBondContact N-O 3.06Å
251I96.9Very high97.2Very high1 Ų119 Ų191%0.0059%0.087CC..EExtended strand (participates in β ladder)trans-131.6162174.564.2174.2000111.2A253 L257 N276 H277 V279 F309 L311 C319 I321I251-A253 PolarHBondContact O-N 3.45Å; I251-L257 HydrophobicContact CD1-CD2 3.72Å; I251-N276 PolarHBondContact O-N 3.22Å; I251-N276 PolarHBondContact O-OD1 3.09Å; I251-H277 HydrophobicContact CG1-CB 4.08Å; I251-H277 PolarHBondContact N-O 3.38Å; I251-H277 PolarHBondContact O-N 3.01Å; I251-V279 HydrophobicContact CD1-CG1 4.47Å; I251-V279 HydrophobicContact CD1-CG2 4.36Å; I251-V279 HydrophobicContact CG1-CG2 4.39Å; I251-V279 HydrophobicContact CG2-CG2 4.29Å; I251-F309 HydrophobicContact CD1-CE2 4.4Å; I251-F309 HydrophobicContact CD1-CZ 3.8Å; I251-L311 HydrophobicContact CG2-CD2 4.23Å; I251-C319 CarbonylContact C-O 3.57Å; I251-C319 WeakPolarHBondContact CA-O 3.34Å; I251-C319 HydrophobicContact CB-CB 4.38Å; I251-C319 WeakPolarHBondContact CB-O 3.29Å; I251-I321 HydrophobicContact CG2-CB 4.26Å; I251-I321 HydrophobicContact CG2-CD1 3.53Å
252D96Very high97.2Very high15 Ų1521.3 Ų21.38%0.0810%0.103CC..  trans-83.6100.2159.7-175.315.3000109.8C270 S271 L274 N276 C319D252-C270 HydrophobicContact CB-CB 4.13Å; D252-C270 WeakPolarHBondContact OD2-CA 3.49Å; D252-S271 WeakPolarHBondContact CB-O 3.48Å; D252-S271 WeakPolarHBondContact OD2-CB 3.15Å; D252-S271 PolarHBondContact OD2-N 2.74Å; D252-L274 WeakPolarHBondContact CB-O 3.43Å; D252-N276 PolarHBondContact OD1-ND2 3.23Å; D252-C319 PolarHBondContact N-O 2.97Å
253A96.7Very high97.3Very high0 Ų019.2 Ų19.20%010%0.101CC..  trans-82.2132.6171.400000110W84 L92 I251 L257 N276 H277 W299W84-A253 WeakPolarHBondContact CH2-O 3.44Å; L92-A253 HydrophobicContact CD1-CB 4.45Å; L92-A253 HydrophobicContact CD2-CB 4.32Å; I251-A253 PolarHBondContact O-N 3.45Å; A253-L257 HydrophobicContact CB-CD2 3.83Å; A253-N276 WeakPolarHBondContact CB-OD1 3.32Å; A253-N276 PolarHBondContact N-OD1 3.48Å; A253-N276 PolarHBondContact O-ND2 2.89Å; A253-N276 PolarHBondContact O-OD1 2.83Å; A253-H277 HydrophobicContact CB-CB 3.67Å; A253-W299 HydrophobicContact CB-CH2 4.5Å
254L96.2Very high97.5Very high30 Ų3017.4 Ų17.416%0.1579%0.093CC..  trans-118.4177.4179-62.7-176.9000111.2W84 D256 L257 I258 Q269 C270W84-L254 VanDerWaalsContact CH2-C 3.48Å; L254-D256 VanDerWaalsContact CB-OD1 3.25Å; L254-D256 WeakPolarHBondContact CB-OD1 3.44Å; L254-D256 PolarHBondContact O-N 2.58Å; L254-L257 PolarHBondContact O-N 2.91Å; L254-I258 PolarHBondContact O-N 3.34Å; L254-Q269 HydrophobicContact CD1-CB 3.6Å; L254-C270 HydrophobicContact CD1-CB 3.79Å; L254-C270 HydrophobicContact CG-CB 4.16Å
255D95.4Very high97.6Very high58 Ų5815.3 Ų15.331%0.319%0.085SC..Hα-helixtrans-66.7-21.5-176.376.4-26000113.9K57 W84K57-D255 IonicContact NZ-OD1 2.92Å; K57-D255 PolarHBondContact NZ-OD1 3.48Å; K57-D255 IonicContact NZ-OD2 3.39Å; K57-D255 PolarHBondContact NZ-OD2 2.96Å; W84-D255 HydrophobicContact CB-CB 4.08Å; W84-D255 HydrophobicContact CD2-CB 3.65Å; W84-D255 HydrophobicContact CE3-CB 3.84Å; W84-D255 HydrophobicContact CG-CB 3.76Å
256D97Very high97.6Very high14 Ų1417.4 Ų17.48%0.0759%0.094CC..Hα-helixtrans-75.8-39.7173.157.6-3.1000111.9M74 L254 I258 L259 Y260 Y265 S267M74-D256 HydrophobicContact CE-CB 3.44Å; M74-D256 VanDerWaalsContact CE-CB 3.44Å; L254-D256 VanDerWaalsContact CB-OD1 3.25Å; L254-D256 WeakPolarHBondContact CB-OD1 3.44Å; L254-D256 PolarHBondContact O-N 2.58Å; D256-I258 VanDerWaalsContact C-N 3.29Å; D256-I258 PolarHBondContact O-N 2.85Å; D256-L259 PolarHBondContact O-N 3.15Å; D256-Y260 PolarHBondContact O-N 3.27Å; D256-Y265 HydrophobicContact CB-CE2 4.45Å; D256-Y265 PolarHBondContact OD1-OH 3.36Å; D256-Y265 PolarHBondContact OD2-OH 2.84Å; D256-S267 PolarHBondContact OD2-OG 3.07Å
257L98.2Very high97.5Very high0 Ų017.8 Ų17.80%010%0.097CC..Hα-helixtrans-62.3-37.7175.7-175.260.2000111.1I251 A253 L254 L259 Y260 Y265 W299 W303 F309I251-L257 HydrophobicContact CD1-CD2 3.72Å; A253-L257 HydrophobicContact CB-CD2 3.83Å; L254-L257 PolarHBondContact O-N 2.91Å; L257-L259 PolarHBondContact O-N 2.94Å; L257-L259 VanDerWaalsContact O-N 3.12Å; L257-Y260 WeakPolarHBondContact O-CB 3.37Å; L257-Y260 PolarHBondContact O-N 2.91Å; L257-Y265 HydrophobicContact CB-CE1 4.42Å; L257-Y265 HydrophobicContact CB-CE2 3.96Å; L257-Y265 HydrophobicContact CD1-CD1 4.03Å; L257-Y265 HydrophobicContact CD1-CD2 4.07Å; L257-Y265 HydrophobicContact CD1-CE1 4.11Å; L257-Y265 HydrophobicContact CD1-CE2 4.15Å; L257-Y265 HydrophobicContact CD1-CG 4.01Å; L257-W299 HydrophobicContact CD2-CH2 4.35Å; L257-W299 HydrophobicContact CG-CH2 4.34Å; L257-W299 HydrophobicContact CG-CZ3 4.32Å; L257-W303 HydrophobicContact CD1-CH2 4.31Å; L257-W303 HydrophobicContact CD1-CZ2 4.14Å; L257-W303 HydrophobicContact CG-CZ2 4.32Å; L257-W303 VanDerWaalsContact O-CZ2 3.25Å; L257-W303 WeakPolarHBondContact O-CZ2 3.33Å; L257-F309 HydrophobicContact CD1-CD2 3.89Å; L257-F309 HydrophobicContact CD1-CE2 4Å; L257-F309 HydrophobicContact CD1-CG 4.36Å
258I97.2Very high97.2Very high1 Ų127.8 Ų27.81%0.00514%0.141CC..Hα-helixtrans-54.3-34.5174.3-60.5-58.4000111.6N77 F79 W84 I87 L254 D256 W299 W303N77-I258 PolarHBondContact ND2-O 2.81Å; F79-I258 HydrophobicContact CB-CG2 3.89Å; F79-I258 HydrophobicContact CD2-CG2 4.17Å; F79-I258 HydrophobicContact CG-CG2 4.36Å; W84-I258 HydrophobicContact CE3-CG1 4.09Å; W84-I258 HydrophobicContact CZ3-CD1 4.13Å; W84-I258 HydrophobicContact CZ3-CG1 3.63Å; I87-I258 HydrophobicContact CD1-CG1 4.48Å; I87-I258 HydrophobicContact CD1-CG2 3.99Å; I87-I258 HydrophobicContact CG2-CD1 3.6Å; I87-I258 HydrophobicContact CG2-CG1 3.98Å; L254-I258 PolarHBondContact O-N 3.34Å; D256-I258 VanDerWaalsContact C-N 3.29Å; D256-I258 PolarHBondContact O-N 2.85Å; I258-W299 HydrophobicContact CD1-CE3 4.3Å; I258-W299 HydrophobicContact CD1-CH2 3.43Å; I258-W299 VanDerWaalsContact CD1-CH2 3.43Å; I258-W299 HydrophobicContact CD1-CZ2 3.88Å; I258-W299 HydrophobicContact CD1-CZ3 3.65Å; I258-W303 PolarHBondContact O-NE1 3.02Å
259L98.3Very high97.1Very high0 Ų034.5 Ų34.50%017%0.172CC..THydrogen-bonded Turntrans-91.8-0.6-177.6-55.9173000113.3Y54 K57 I58 M74 G75 D256 L257 K261Y54-L259 HydrophobicContact CD1-CD1 3.53Å; Y54-L259 HydrophobicContact CD1-CD2 3.78Å; Y54-L259 HydrophobicContact CD1-CG 4.17Å; Y54-L259 HydrophobicContact CE1-CD1 3.97Å; Y54-L259 HydrophobicContact CE1-CD2 4.18Å; Y54-L259 HydrophobicContact CE1-CG 4.41Å; Y54-L259 HydrophobicContact CG-CD1 4.41Å; Y54-L259 HydrophobicContact CG-CD2 3.99Å; K57-L259 HydrophobicContact CD-CD1 3.76Å; K57-L259 HydrophobicContact CG-CD1 4.27Å; I58-L259 HydrophobicContact CD1-CD2 4.46Å; I58-L259 HydrophobicContact CG1-CD1 4.4Å; M74-L259 CarbonylContact C-O 3.46Å; M74-L259 WeakPolarHBondContact CA-O 3.36Å; M74-L259 HydrophobicContact CB-CB 4.02Å; M74-L259 WeakPolarHBondContact CB-O 3.23Å; M74-L259 HydrophobicContact CG-CB 3.99Å; M74-L259 HydrophobicContact SD-CB 3.96Å; M74-L259 HydrophobicContact SD-CD1 3.99Å; G75-L259 PolarHBondContact N-O 3.49Å; D256-L259 PolarHBondContact O-N 3.15Å; L257-L259 PolarHBondContact O-N 2.94Å; L257-L259 VanDerWaalsContact O-N 3.12Å; L259-K261 PolarHBondContact O-N 3.4Å
260Y98.7Very high97Very high2 Ų235.3 Ų35.31%0.00818%0.178CC..EExtended strand (participates in β ladder)trans-54.6135.2-178.2172.6-87.6000112Y72 D256 L257 G263 Y265 W303 G304 M305 F309 K310Y72-Y260 AromaticContact CD2-CD2 3.86Å; Y72-Y260 HydrophobicContact CD2-CD2 3.86Å; Y72-Y260 HydrophobicContact CD2-CE2 4.5Å; Y72-Y260 HydrophobicContact CG-CD2 4.36Å; D256-Y260 PolarHBondContact O-N 3.27Å; L257-Y260 WeakPolarHBondContact O-CB 3.37Å; L257-Y260 PolarHBondContact O-N 2.91Å; Y260-G263 PolarHBondContact OH-N 3.46Å; Y260-G263 PolarHBondContact OH-O 3.49Å; Y260-Y265 HydrophobicContact CD2-CD2 4.37Å; Y260-Y265 HydrophobicContact CD2-CG 4.47Å; Y260-W303 HydrophobicContact CD1-CH2 4.01Å; Y260-W303 HydrophobicContact CD1-CZ2 4.08Å; Y260-W303 HydrophobicContact CG-CZ2 4.38Å; Y260-G304 WeakPolarHBondContact O-CA 3.45Å; Y260-G304 PolarHBondContact O-N 3.29Å; Y260-M305 HydrophobicContact CE1-CG 4.09Å; Y260-M305 PolarHBondContact OH-SD 2.87Å; Y260-F309 HydrophobicContact CD1-CB 3.56Å; Y260-F309 HydrophobicContact CD2-CB 4.48Å; Y260-F309 HydrophobicContact CE1-CB 3.21Å; Y260-F309 HydrophobicContact CE2-CB 4.17Å; Y260-F309 HydrophobicContact CG-CB 4.2Å; Y260-K310 PolarHBondContact OH-N 2.99Å
261K98.8Very high96.9Very high120 Ų12036.6 Ų36.652%0.52219%0.187SC..EExtended strand (participates in β ladder)trans-117.1-53.9174.7-174.8-178.6-179.4-176.40112.1T73 L259 G304 M305T73-K261 PolarHBondContact O-N 2.89Å; L259-K261 PolarHBondContact O-N 3.4Å; K261-G304 CarbonylContact O-C 3.47Å; K261-M305 WeakPolarHBondContact O-CG 3.2Å; K261-M305 PolarHBondContact O-N 2.82Å
262S98.6Very high96.7Very high47 Ų4737.9 Ų37.933%0.32920%0.195SC..EExtended strand (participates in β ladder)trans-163.7165.7-175.5640000112.4Y72 T73Y72-S262 CarbonylContact C-O 3.51Å; Y72-S262 VanDerWaalsContact CA-O 3.23Å; Y72-S262 WeakPolarHBondContact CA-O 3.46Å; Y72-S262 VanDerWaalsContact CB-O 3.23Å; Y72-S262 WeakPolarHBondContact CB-O 3.21Å; T73-S262 PolarHBondContact N-O 2.66Å; T73-S262 PolarHBondContact O-N 2.9Å; T73-S262 PolarHBondContact OG1-O 3.45Å; T73-S262 PolarHBondContact OG1-OG 3.33Å
263G98.4Very high96.5Very high22 Ų2243.1 Ų43.123%0.22722%0.218CC..EExtended strand (participates in β ladder)trans97.9-166-17800000112.1Y260 K310Y260-G263 PolarHBondContact OH-N 3.46Å; Y260-G263 PolarHBondContact OH-O 3.49Å; G263-K310 WeakPolarHBondContact O-CB 3.22Å
264I98.6Very high96.2Very high10 Ų1049.1 Ų49.15%0.05125%0.249CC..EExtended strand (participates in β ladder)trans-101.4106.2178.9-57.7173.4000108G71 E287 K290 Y292 K310 R312G71-I264 CarbonylContact C-O 3.43Å; G71-I264 PolarHBondContact O-N 2.88Å; I264-E287 HydrophobicContact CD1-CB 4.08Å; I264-K290 HydrophobicContact CD1-CB 3.64Å; I264-Y292 HydrophobicContact CD1-CD1 4.09Å; I264-Y292 HydrophobicContact CG1-CD1 4.38Å; I264-K310 HydrophobicContact CG1-CB 4.34Å; I264-K310 HydrophobicContact CG1-CD 4.38Å; I264-R312 HydrophobicContact CG2-CB 3.98Å
265Y98.6Very high96.1Very high0 Ų048.4 Ų48.40%025%0.246CC..EExtended strand (participates in β ladder)trans-65.5130.9177.3174.9-98000110.8Y72 D256 L257 Y260 S267 K310 L311 R312Y72-Y265 HydrophobicContact CD1-CD2 4.28Å; Y72-Y265 HydrophobicContact CD2-CD2 4.19Å; Y72-Y265 AromaticContact CE1-CD2 3.88Å; Y72-Y265 HydrophobicContact CE1-CD2 3.88Å; Y72-Y265 HydrophobicContact CE1-CE2 4.41Å; Y72-Y265 AromaticContact CE2-CD2 3.78Å; Y72-Y265 HydrophobicContact CE2-CD2 3.78Å; Y72-Y265 HydrophobicContact CE2-CE2 4.31Å; Y72-Y265 HydrophobicContact CG-CD2 4.41Å; Y72-Y265 AromaticContact CZ-CD2 3.6Å; Y72-Y265 AromaticContact CZ-CE2 3.91Å; D256-Y265 HydrophobicContact CB-CE2 4.45Å; D256-Y265 PolarHBondContact OD1-OH 3.36Å; D256-Y265 PolarHBondContact OD2-OH 2.84Å; L257-Y265 HydrophobicContact CB-CE1 4.42Å; L257-Y265 HydrophobicContact CB-CE2 3.96Å; L257-Y265 HydrophobicContact CD1-CD1 4.03Å; L257-Y265 HydrophobicContact CD1-CD2 4.07Å; L257-Y265 HydrophobicContact CD1-CE1 4.11Å; L257-Y265 HydrophobicContact CD1-CE2 4.15Å; L257-Y265 HydrophobicContact CD1-CG 4.01Å; Y260-Y265 HydrophobicContact CD2-CD2 4.37Å; Y260-Y265 HydrophobicContact CD2-CG 4.47Å; Y265-S267 WeakPolarHBondContact OH-CB 3.3Å; Y265-K310 WeakPolarHBondContact CB-O 3.35Å; Y265-K310 PolarHBondContact N-O 2.92Å; Y265-L311 HydrophobicContact CD1-CD1 3.56Å; Y265-L311 HydrophobicContact CE1-CD1 4.06Å; Y265-R312 PolarHBondContact O-N 2.04Å
266E96.7Very high96.1Very high45 Ų4546.8 Ų46.821%0.2124%0.237CC..  trans-144.5138.9173.262.7-168.4161.900108.8K290 R312 M318E266-K290 IonicContact OE1-NZ 2.66Å; E266-K290 PolarHBondContact OE1-NZ 3.17Å; E266-K290 IonicContact OE2-NZ 3.86Å; E266-R312 HydrophobicContact CB-CB 4.04Å; E266-M318 HydrophobicContact CB-CE 4.09Å
267S95.7Very high96.1Very high9 Ų946.1 Ų46.16%0.06323%0.233CC..  trans-136.9138.9178.3-177.30000109D256 Y265 Q269D256-S267 PolarHBondContact OD2-OG 3.07Å; Y265-S267 WeakPolarHBondContact OH-CB 3.3Å; S267-Q269 VanDerWaalsContact C-N 3.31Å; S267-Q269 PolarHBondContact OG-N 3Å; S267-Q269 PolarHBondContact OG-OE1 3.09Å; S267-Q269 VanDerWaalsContact OG-OE1 3.05Å
268K92.1Very high96.1Very high209 Ų20946.1 Ų46.191%0.90923%0.233SC*.SBendtrans-87.2-10.9174.8-67-179.3-178.1175.50111.7
269Q95.9Very high96.2Very high141 Ų14146.1 Ų46.166%0.65923%0.233SC*.SBendtrans-96.7-24.4-171.1-65.583.8-13.500112.1L254 S267L254-Q269 HydrophobicContact CD1-CB 3.6Å; S267-Q269 VanDerWaalsContact C-N 3.31Å; S267-Q269 PolarHBondContact OG-N 3Å; S267-Q269 PolarHBondContact OG-OE1 3.09Å; S267-Q269 VanDerWaalsContact OG-OE1 3.05Å
270C96.6Very high96.2Very high18 Ų1846.4 Ų46.412%0.12224%0.235CC..  trans-71.3142.1-177.765.30000111.5D252 L254 C319D252-C270 HydrophobicContact CB-CB 4.13Å; D252-C270 WeakPolarHBondContact OD2-CA 3.49Å; L254-C270 HydrophobicContact CD1-CB 3.79Å; L254-C270 HydrophobicContact CG-CB 4.16Å; C270-C319 HydrophobicContact CB-CB 3.63Å; C270-C319 WeakPolarHBondContact CB-SG 3.46Å; C270-C319 WeakPolarHBondContact SG-CA 3.31Å; C270-C319 WeakPolarHBondContact SG-CB 3Å; C270-C319 PolarHBondContact SG-N 3.5Å; C270-C319 CovalentContact SG-SG 2.04Å; C270-C319 PolarHBondContact SG-SG 3.2Å
271S94.2Very high96.2Very high27 Ų2746.3 Ų46.319%0.18924%0.235CC..  trans-82.6143.4179.7-171.30000111.8D252 F273 L274 C319 G320D252-S271 WeakPolarHBondContact CB-O 3.48Å; D252-S271 WeakPolarHBondContact OD2-CB 3.15Å; D252-S271 PolarHBondContact OD2-N 2.74Å; S271-F273 VanDerWaalsContact C-N 3.26Å; S271-F273 PolarHBondContact OG-N 2.91Å; S271-L274 PolarHBondContact OG-N 3.04Å; S271-C319 CarbonylContact O-C 3.14Å; S271-C319 WeakPolarHBondContact O-CA 3.3Å; S271-G320 PolarHBondContact O-N 3.34Å
272S93Very high96.2Very high27 Ų2740.6 Ų40.619%0.18921%0.21CC..SBendtrans-82.2-2.7165.2-58.80000113.3N317 T323S272-N317 PolarHBondContact OG-O 3.07Å; S272-T323 PolarHBondContact O-OG1 3.43Å
273F90.7Very high96.2Very high126 Ų12638.4 Ų38.455%0.55319%0.194SC*.SBendtrans-127.3-39-171.6-55.5-81.3000113.4S271 L275S271-F273 VanDerWaalsContact C-N 3.26Å; S271-F273 PolarHBondContact OG-N 2.91Å; F273-L275 PolarHBondContact O-N 2.91Å
274L92.2Very high96.3Very high126 Ų12637.4 Ų37.466%0.6618%0.183SC*.  trans-90.477.4-178.8-58.4179.1000109.5D252 S271D252-L274 WeakPolarHBondContact CB-O 3.43Å; S271-L274 PolarHBondContact OG-N 3.04Å
275L94Very high96.2Very high15 Ų1536.9 Ų36.98%0.07918%0.181CC..  trans-81.5150.2-178.3-42.1178000110.1F96 A250 F273 T323 N324F96-L275 HydrophobicContact CB-CB 4.17Å; F96-L275 WeakPolarHBondContact CB-O 3.25Å; F96-L275 HydrophobicContact CG-CB 4.38Å; A250-L275 HydrophobicContact CB-CB 3.96Å; A250-L275 HydrophobicContact CB-CD1 3.58Å; A250-L275 HydrophobicContact CB-CG 4.37Å; F273-L275 PolarHBondContact O-N 2.91Å; L275-T323 HydrophobicContact CD1-CG2 4.02Å; L275-N324 HydrophobicContact CD1-CB 3.66Å
276N95.4Very high96.2Very high23 Ų2343.6 Ų43.612%0.12321%0.206CC..  trans-143-4.5-178.164.823.8000113.6L92 S93 I251 D252 A253L92-N276 HydrophobicContact CB-CB 4.41Å; L92-N276 WeakPolarHBondContact CB-O 3.31Å; S93-N276 PolarHBondContact N-O 3.43Å; I251-N276 PolarHBondContact O-N 3.22Å; I251-N276 PolarHBondContact O-OD1 3.09Å; D252-N276 PolarHBondContact OD1-ND2 3.23Å; A253-N276 WeakPolarHBondContact CB-OD1 3.32Å; A253-N276 PolarHBondContact N-OD1 3.48Å; A253-N276 PolarHBondContact O-ND2 2.89Å; A253-N276 PolarHBondContact O-OD1 2.83Å
277H97.3Very high96.2Very high0 Ų044.5 Ų44.50%021%0.211CC..EExtended strand (participates in β ladder)trans-139.6122.9-173.5-168.742.8000112.6L92 C140 A250 I251 A253 V279 N297 W299L92-H277 HydrophobicContact CD2-CB 4.14Å; C140-H277 VanDerWaalsContact CB-CE1 3.41Å; C140-H277 WeakPolarHBondContact CB-CE1 3.31Å; C140-H277 VanDerWaalsContact CB-ND1 3.3Å; C140-H277 WeakPolarHBondContact CB-ND1 3.35Å; A250-H277 CarbonylContact C-O 3.54Å; A250-H277 VanDerWaalsContact CA-O 3.29Å; A250-H277 WeakPolarHBondContact CA-O 3.39Å; I251-H277 HydrophobicContact CG1-CB 4.08Å; I251-H277 PolarHBondContact N-O 3.38Å; I251-H277 PolarHBondContact O-N 3.01Å; A253-H277 HydrophobicContact CB-CB 3.67Å; H277-V279 WeakPolarHBondContact CD2-CG1 3.41Å; H277-V279 VanDerWaalsContact NE2-CG1 3.28Å; H277-V279 WeakPolarHBondContact NE2-CG1 3.04Å; H277-N297 PolarHBondContact NE2-OD1 3.46Å; H277-W299 AromaticContact CD2-CZ2 3.76Å; H277-W299 AromaticContact CE1-CE2 3.75Å; H277-W299 AromaticContact CE1-CZ2 3.62Å; H277-W299 AromaticContact CE1-NE1 3.56Å; H277-W299 AromaticContact NE2-CE2 3.68Å; H277-W299 AromaticContact NE2-CZ2 3.36Å; H277-W299 WeakPolarHBondContact NE2-CZ2 3.47Å; H277-W299 AromaticContact NE2-NE1 3.91Å
278G97.4Very high96Very high0 Ų051.7 Ų51.70%025%0.248CC..EExtended strand (participates in β ladder)trans-86.9126.5174.500000111.3C140C140-G278 WeakPolarHBondContact CB-O 3.28Å; C140-G278 PolarHBondContact SG-N 2.61Å
279V98.7Very high96.1Very high2 Ų251.9 Ų51.91%0.01224%0.243CC..EExtended strand (participates in β ladder)trans-136.8170.9179.3-63.80000110.6S144 V249 I251 H277 I295 F309S144-V279 WeakPolarHBondContact CB-O 3.49Å; S144-V279 PolarHBondContact OG-O 2.72Å; V249-V279 HydrophobicContact CG2-CG2 3.54Å; V249-V279 PolarHBondContact N-O 3.31Å; V249-V279 PolarHBondContact O-N 2.99Å; I251-V279 HydrophobicContact CD1-CG1 4.47Å; I251-V279 HydrophobicContact CD1-CG2 4.36Å; I251-V279 HydrophobicContact CG1-CG2 4.39Å; I251-V279 HydrophobicContact CG2-CG2 4.29Å; H277-V279 WeakPolarHBondContact CD2-CG1 3.41Å; H277-V279 VanDerWaalsContact NE2-CG1 3.28Å; H277-V279 WeakPolarHBondContact NE2-CG1 3.04Å; V279-I295 HydrophobicContact CB-CG2 3.49Å; V279-I295 VanDerWaalsContact CB-CG2 3.49Å; V279-I295 HydrophobicContact CG1-CG2 4.25Å; V279-I295 HydrophobicContact CG2-CG2 3.42Å; V279-I295 VanDerWaalsContact CG2-CG2 3.42Å; V279-F309 HydrophobicContact CG1-CE1 4.47Å
280L98.9Very high96.1Very high6 Ų648.2 Ų48.23%0.03123%0.225CC..EExtended strand (participates in β ladder)trans-115.1116.4-178.6-174.677.3000110.3A148 P246 V282 I295 K296A148-L280 HydrophobicContact CB-CD1 3.99Å; P246-L280 HydrophobicContact CB-CD1 3.8Å; P246-L280 HydrophobicContact CB-CD2 3.78Å; P246-L280 HydrophobicContact CB-CG 3.81Å; L280-V282 HydrophobicContact CD2-CG1 3.7Å; L280-V282 HydrophobicContact CG-CG1 3.92Å; L280-V282 PolarHBondContact O-N 3.07Å; L280-I295 WeakPolarHBondContact O-CA 3.28Å; L280-K296 HydrophobicContact CB-CB 4.26Å; L280-K296 HydrophobicContact CD2-CD 4.24Å; L280-K296 PolarHBondContact N-O 2.89Å; L280-K296 VanDerWaalsContact N-O 3.15Å; L280-K296 PolarHBondContact O-N 2.91Å
281A98.9Very high96.2Very high0 Ų048.4 Ų48.40%023%0.225CC..EExtended strand (participates in β ladder)trans-76.1117.1171.100000109.3L241 P246 I247 V249 I295L241-A281 HydrophobicContact CD1-CB 3.67Å; P246-A281 CarbonylContact C-O 3.17Å; P246-A281 VanDerWaalsContact CA-O 3.23Å; P246-A281 WeakPolarHBondContact CA-O 3.37Å; I247-A281 PolarHBondContact N-O 2.73Å; I247-A281 PolarHBondContact O-N 3.42Å; V249-A281 HydrophobicContact CG1-CB 4.25Å; V249-A281 HydrophobicContact CG2-CB 4.29Å; A281-I295 HydrophobicContact CB-CD1 3.75Å
282V98.9Very high96.4Very high0 Ų047.8 Ų47.80%022%0.219CC..EExtended strand (participates in β ladder)trans-114.1-9.1-174.8-62.50000113.1W122 V128 P246 L280 L294 K296 Y308W122-V282 VanDerWaalsContact CB-O 3.32Å; W122-V282 WeakPolarHBondContact CB-O 3.48Å; W122-V282 VanDerWaalsContact CD1-O 3.27Å; W122-V282 PolarHBondContact N-O 3.28Å; V128-V282 HydrophobicContact CG1-CG1 4.07Å; V128-V282 HydrophobicContact CG2-CB 4.02Å; V128-V282 HydrophobicContact CG2-CG1 3.82Å; P246-V282 HydrophobicContact CB-CG1 4.21Å; P246-V282 HydrophobicContact CG-CG1 4.42Å; L280-V282 HydrophobicContact CD2-CG1 3.7Å; L280-V282 HydrophobicContact CG-CG1 3.92Å; L280-V282 PolarHBondContact O-N 3.07Å; V282-L294 HydrophobicContact CG2-CB 4.36Å; V282-L294 HydrophobicContact CG2-CD2 3.85Å; V282-L294 HydrophobicContact CG2-CG 3.75Å; V282-L294 WeakPolarHBondContact CG2-O 3.18Å; V282-L294 PolarHBondContact N-O 2.64Å; V282-K296 HydrophobicContact CG1-CB 3.89Å; V282-Y308 HydrophobicContact CG2-CD1 4.25Å; V282-Y308 HydrophobicContact CG2-CE1 4.04Å
283G98.8Very high96.7Very high0 Ų046.5 Ų46.50%021%0.21CC..EExtended strand (participates in β ladder)trans-175-177.8-178.400000112.5W120 L294W120-G283 CarbonylContact O-C 3.57Å; W120-G283 WeakPolarHBondContact O-CA 3.48Å; G283-L294 PolarHBondContact N-O 2.57Å; G283-L294 PolarHBondContact O-N 3.05Å
284Y98.9Very high97.1Very high1 Ų140.8 Ų40.80%0.00419%0.185CC..EExtended strand (participates in β ladder)trans-155.3162.4173.159.1-100.1000109.9P117 K119 W120 Q238 L241 Y292 W293P117-Y284 WeakPolarHBondContact O-CE2 3.37Å; P117-Y284 PolarHBondContact O-OH 3.44Å; P117-Y284 VanDerWaalsContact O-OH 3.07Å; K119-Y284 WeakPolarHBondContact CA-O 3.47Å; K119-Y284 WeakPolarHBondContact CG-O 3.4Å; W120-Y284 HydrophobicContact CB-CD1 4.31Å; W120-Y284 HydrophobicContact CB-CE1 3.74Å; W120-Y284 HydrophobicContact CB-CE2 4.13Å; W120-Y284 PolarHBondContact N-O 3.22Å; W120-Y284 PolarHBondContact O-N 3.49Å; W120-Y284 VanDerWaalsContact O-O 3.13Å; Q238-Y284 HydrophobicContact CG-CD1 3.66Å; Q238-Y284 HydrophobicContact CG-CD2 4.4Å; Q238-Y284 HydrophobicContact CG-CE1 3.52Å; Q238-Y284 HydrophobicContact CG-CE2 4.3Å; Q238-Y284 HydrophobicContact CG-CG 4.11Å; Q238-Y284 VanDerWaalsContact NE2-CD2 3.32Å; L241-Y284 HydrophobicContact CD2-CD1 3.99Å; L241-Y284 HydrophobicContact CD2-CE1 4.15Å; Y284-Y292 VanDerWaalsContact CA-O 3.24Å; Y284-Y292 WeakPolarHBondContact CA-O 3.1Å; Y284-Y292 VanDerWaalsContact CB-O 3.32Å; Y284-Y292 WeakPolarHBondContact CB-O 3.49Å; Y284-W293 HydrophobicContact CD1-CZ3 4.15Å; Y284-W293 HydrophobicContact CG-CZ3 4.44Å
285G98.6Very high97.4Very high0 Ų034.8 Ų34.80%015%0.153CC..EExtended strand (participates in β ladder)trans-167.2-163.8175.900000112.5D291 Y292G285-D291 WeakPolarHBondContact O-CA 3.32Å; G285-Y292 PolarHBondContact N-O 3.14Å; G285-Y292 PolarHBondContact O-N 3.25Å
286R98Very high97.6Very high140 Ų14034.9 Ų34.953%0.52815%0.153SC..EExtended strand (participates in β ladder)trans-141.8133176.9-172.2176.6-174.8101.2-6.3110R289 K290 D291R286-R289 PolarHBondContact NH2-O 3.31Å; R286-K290 WeakPolarHBondContact CA-O 3.33Å; R286-D291 WeakPolarHBondContact CD-OD1 3.42Å; R286-D291 VanDerWaalsContact CG-OD1 3.29Å; R286-D291 WeakPolarHBondContact CG-OD1 3.35Å; R286-D291 IonicContact CZ-OD1 3.73Å; R286-D291 IonicContact NE-OD1 2.95Å; R286-D291 VanDerWaalsContact NH1-CG 3.29Å; R286-D291 IonicContact NH1-OD1 3.86Å; R286-D291 PolarHBondContact NH1-OD1 2.88Å; R286-D291 IonicContact NH1-OD2 2.72Å; R286-D291 PolarHBondContact NH1-OD2 2.75Å
287E95.7Very high97.8Very high65 Ų6534.1 Ų34.130%0.30415%0.149SC..EExtended strand (participates in β ladder)trans-137.5131.1177.3-87.6162.9-148.300108.9I264 R289 K290 Y292 K310I264-E287 HydrophobicContact CD1-CB 4.08Å; E287-R289 PolarHBondContact O-N 2.84Å; E287-R289 VanDerWaalsContact O-N 3.11Å; E287-K290 PolarHBondContact N-O 3.21Å; E287-K290 WeakPolarHBondContact O-CA 3.35Å; E287-K290 WeakPolarHBondContact O-CB 3.2Å; E287-K290 PolarHBondContact O-N 2.92Å; E287-K290 VanDerWaalsContact O-O 3.12Å; E287-Y292 HydrophobicContact CB-CD1 4.4Å; E287-Y292 HydrophobicContact CB-CE1 4.13Å; E287-Y292 HydrophobicContact CG-CE1 3.79Å; E287-Y292 VanDerWaalsContact OE1-CE1 3.28Å; E287-Y292 WeakPolarHBondContact OE1-CE1 3.41Å; E287-Y292 PolarHBondContact OE1-OH 3.11Å; E287-Y292 VanDerWaalsContact OE1-OH 3.05Å; E287-K310 WeakPolarHBondContact OE1-CE 3.1Å; E287-K310 IonicContact OE1-NZ 3.13Å; E287-K310 PolarHBondContact OE1-NZ 2.76Å; E287-K310 IonicContact OE2-NZ 3Å; E287-K310 PolarHBondContact OE2-NZ 2.77Å
288N92.2Very high97.9Very high160 Ų16034.3 Ų34.386%0.85615%0.15SC*.THydrogen-bonded Turntrans49.342177.4-59.8-29.2000113.9K290N288-K290 PolarHBondContact O-N 3.46Å
289R93.7Very high97.9Very high212 Ų21234.3 Ų34.380%0.815%0.15SC*.THydrogen-bonded Turntrans66.48.1-176.2-51.7176.4-71.7-177.7-3.7115.5R286 E287R286-R289 PolarHBondContact NH2-O 3.31Å; E287-R289 PolarHBondContact O-N 2.84Å; E287-R289 VanDerWaalsContact O-N 3.11Å
290K96.8Very high97.9Very high65 Ų6534.5 Ų34.528%0.28315%0.153SC..EExtended strand (participates in β ladder)trans-104.8124.1172.3-66.8-173.8179.7-172.30109.7I264 E266 R286 E287 N288I264-K290 HydrophobicContact CD1-CB 3.64Å; E266-K290 IonicContact OE1-NZ 2.66Å; E266-K290 PolarHBondContact OE1-NZ 3.17Å; E266-K290 IonicContact OE2-NZ 3.86Å; R286-K290 WeakPolarHBondContact CA-O 3.33Å; E287-K290 PolarHBondContact N-O 3.21Å; E287-K290 WeakPolarHBondContact O-CA 3.35Å; E287-K290 WeakPolarHBondContact O-CB 3.2Å; E287-K290 PolarHBondContact O-N 2.92Å; E287-K290 VanDerWaalsContact O-O 3.12Å; N288-K290 PolarHBondContact O-N 3.46Å
291D98.2Very high97.9Very high22 Ų2238 Ų3812%0.11818%0.175CC..EExtended strand (participates in β ladder)trans-75.2145.1170.7-59.5-35.1000110.5G285 R286 R312 R313 N314G285-D291 WeakPolarHBondContact O-CA 3.32Å; R286-D291 WeakPolarHBondContact CD-OD1 3.42Å; R286-D291 VanDerWaalsContact CG-OD1 3.29Å; R286-D291 WeakPolarHBondContact CG-OD1 3.35Å; R286-D291 IonicContact CZ-OD1 3.73Å; R286-D291 IonicContact NE-OD1 2.95Å; R286-D291 VanDerWaalsContact NH1-CG 3.29Å; R286-D291 IonicContact NH1-OD1 3.86Å; R286-D291 PolarHBondContact NH1-OD1 2.88Å; R286-D291 IonicContact NH1-OD2 2.72Å; R286-D291 PolarHBondContact NH1-OD2 2.75Å; D291-R312 PolarHBondContact O-NH1 2.89Å; D291-R313 HydrophobicContact CB-CB 4.03Å; D291-R313 HydrophobicContact CB-CG 4.43Å; D291-R313 PolarHBondContact O-N 3.23Å; D291-R313 IonicContact OD1-NH2 2.8Å; D291-N314 PolarHBondContact OD2-ND2 2.86Å; D291-N314 VanDerWaalsContact OD2-ND2 3.09Å
292Y98.8Very high97.8Very high13 Ų1341.9 Ų41.95%0.05120%0.198CC..EExtended strand (participates in β ladder)trans-137155.1175.565.2-96.5000112.8I264 Y284 G285 E287 L294 K310 L311 R313I264-Y292 HydrophobicContact CD1-CD1 4.09Å; I264-Y292 HydrophobicContact CG1-CD1 4.38Å; Y284-Y292 VanDerWaalsContact CA-O 3.24Å; Y284-Y292 WeakPolarHBondContact CA-O 3.1Å; Y284-Y292 VanDerWaalsContact CB-O 3.32Å; Y284-Y292 WeakPolarHBondContact CB-O 3.49Å; G285-Y292 PolarHBondContact N-O 3.14Å; G285-Y292 PolarHBondContact O-N 3.25Å; E287-Y292 HydrophobicContact CB-CD1 4.4Å; E287-Y292 HydrophobicContact CB-CE1 4.13Å; E287-Y292 HydrophobicContact CG-CE1 3.79Å; E287-Y292 VanDerWaalsContact OE1-CE1 3.28Å; E287-Y292 WeakPolarHBondContact OE1-CE1 3.41Å; E287-Y292 PolarHBondContact OE1-OH 3.11Å; E287-Y292 VanDerWaalsContact OE1-OH 3.05Å; Y292-L294 HydrophobicContact CE2-CB 4.29Å; Y292-K310 HydrophobicContact CD1-CD 4.24Å; Y292-K310 HydrophobicContact CD2-CB 4.02Å; Y292-K310 HydrophobicContact CD2-CD 4.02Å; Y292-K310 HydrophobicContact CD2-CG 3.69Å; Y292-K310 HydrophobicContact CE1-CD 4.24Å; Y292-K310 HydrophobicContact CE2-CD 4.05Å; Y292-K310 HydrophobicContact CE2-CG 3.97Å; Y292-K310 HydrophobicContact CG-CB 4.07Å; Y292-K310 HydrophobicContact CG-CD 4.11Å; Y292-K310 HydrophobicContact CG-CG 4.09Å; Y292-L311 CarbonylContact C-O 3.5Å; Y292-L311 WeakPolarHBondContact CA-O 3.36Å; Y292-L311 WeakPolarHBondContact CB-O 3.41Å; Y292-R313 PolarHBondContact O-NE 2.76Å
293W98.9Very high97.8Very high0 Ų041.9 Ų41.90%020%0.198CC..EExtended strand (participates in β ladder)trans-89.6138.4157.8-62110000109.1E234 L237 Q238 L241 Y284 I295 K310 L311 R313 I321E234-W293 HydrophobicContact CB-CZ2 4.16Å; E234-W293 HydrophobicContact CG-CZ2 4.49Å; E234-W293 PolarHBondContact OE2-NE1 3.11Å; E234-W293 VanDerWaalsContact OE2-NE1 3.09Å; L237-W293 HydrophobicContact CB-CH2 4.13Å; L237-W293 HydrophobicContact CB-CZ2 4.35Å; L237-W293 HydrophobicContact CD2-CH2 3.99Å; L237-W293 HydrophobicContact CD2-CZ2 3.74Å; L237-W293 HydrophobicContact CG-CH2 3.73Å; L237-W293 HydrophobicContact CG-CZ2 3.99Å; L237-W293 HydrophobicContact CG-CZ3 4.21Å; Q238-W293 HydrophobicContact CB-CH2 3.68Å; Q238-W293 HydrophobicContact CB-CZ3 4.23Å; Q238-W293 HydrophobicContact CG-CH2 4.07Å; Q238-W293 HydrophobicContact CG-CZ3 4.21Å; L241-W293 HydrophobicContact CD1-CE3 4.34Å; L241-W293 HydrophobicContact CD1-CZ3 4.23Å; Y284-W293 HydrophobicContact CD1-CZ3 4.15Å; Y284-W293 HydrophobicContact CG-CZ3 4.44Å; W293-I295 HydrophobicContact CB-CD1 3.64Å; W293-I295 HydrophobicContact CB-CG1 4.11Å; W293-K310 CarbonylContact O-C 3.56Å; W293-K310 VanDerWaalsContact O-CA 3.24Å; W293-K310 WeakPolarHBondContact O-CA 3.43Å; W293-L311 HydrophobicContact CB-CB 4.38Å; W293-L311 PolarHBondContact N-O 3.19Å; W293-L311 PolarHBondContact O-N 3.43Å; W293-R313 HydrophobicContact CD2-CB 4.32Å; W293-R313 VanDerWaalsContact CD2-CD 3.45Å; W293-R313 HydrophobicContact CD2-CG 4.02Å; W293-R313 VanDerWaalsContact CE2-CG 3.41Å; W293-R313 HydrophobicContact CG-CB 4.09Å; W293-R313 HydrophobicContact CG-CG 4.3Å; W293-R313 HydrophobicContact CH2-CG 4.47Å; W293-R313 HydrophobicContact CZ2-CG 3.68Å; W293-R313 VanDerWaalsContact NE1-CG 3.34Å; W293-I321 HydrophobicContact CG-CG1 4.23Å
294L98.9Very high97.8Very high6 Ų642.8 Ų42.83%0.03121%0.208CC..EExtended strand (participates in β ladder)trans-96.1118.6168.6177.167.8000108.3D121 V282 G283 Y292 Y308 K310D121-L294 WeakPolarHBondContact OD2-CD2 3.18Å; V282-L294 HydrophobicContact CG2-CB 4.36Å; V282-L294 HydrophobicContact CG2-CD2 3.85Å; V282-L294 HydrophobicContact CG2-CG 3.75Å; V282-L294 WeakPolarHBondContact CG2-O 3.18Å; V282-L294 PolarHBondContact N-O 2.64Å; G283-L294 PolarHBondContact N-O 2.57Å; G283-L294 PolarHBondContact O-N 3.05Å; Y292-L294 HydrophobicContact CE2-CB 4.29Å; L294-Y308 HydrophobicContact CD1-CD1 4.4Å; L294-K310 HydrophobicContact CD1-CG 4.49Å
295I98.9Very high97.8Very high0 Ų045.4 Ų45.40%022%0.22CC..EExtended strand (participates in β ladder)trans-118.5129.7-171.5-52.2-58.8000109.9V279 L280 A281 W293 Y308 F309 L311 I321V279-I295 HydrophobicContact CB-CG2 3.49Å; V279-I295 VanDerWaalsContact CB-CG2 3.49Å; V279-I295 HydrophobicContact CG1-CG2 4.25Å; V279-I295 HydrophobicContact CG2-CG2 3.42Å; V279-I295 VanDerWaalsContact CG2-CG2 3.42Å; L280-I295 WeakPolarHBondContact O-CA 3.28Å; A281-I295 HydrophobicContact CB-CD1 3.75Å; W293-I295 HydrophobicContact CB-CD1 3.64Å; W293-I295 HydrophobicContact CB-CG1 4.11Å; I295-Y308 VanDerWaalsContact O-CA 3.23Å; I295-Y308 WeakPolarHBondContact O-CA 3.42Å; I295-Y308 WeakPolarHBondContact O-CB 3.49Å; I295-Y308 WeakPolarHBondContact O-CD1 3.4Å; I295-F309 HydrophobicContact CB-CD1 3.81Å; I295-F309 HydrophobicContact CB-CE1 3.41Å; I295-F309 VanDerWaalsContact CB-CE1 3.41Å; I295-F309 HydrophobicContact CB-CE2 4.31Å; I295-F309 HydrophobicContact CB-CG 4.42Å; I295-F309 HydrophobicContact CB-CZ 3.67Å; I295-F309 HydrophobicContact CG1-CE1 4.18Å; I295-F309 HydrophobicContact CG1-CE2 4.24Å; I295-F309 HydrophobicContact CG1-CZ 3.9Å; I295-F309 HydrophobicContact CG2-CD1 4.05Å; I295-F309 HydrophobicContact CG2-CE1 3.24Å; I295-F309 HydrophobicContact CG2-CZ 3.59Å; I295-F309 PolarHBondContact N-O 3.3Å; I295-F309 PolarHBondContact O-N 3.05Å; I295-L311 HydrophobicContact CG1-CB 4.31Å; I295-I321 HydrophobicContact CD1-CD1 3.87Å
296K98.9Very high97.7Very high18 Ų1851.3 Ų51.38%0.07825%0.252CS..EExtended strand (participates in β ladder)trans-85.7125.8167.7-175.1-179176.3-177.20108.8V128 T129 P130 V131 L280 V282 Y308V128-K296 HydrophobicContact CG1-CD 3.66Å; T129-K296 WeakPolarHBondContact O-CE 3.17Å; T129-K296 PolarHBondContact O-NZ 3.46Å; T129-K296 PolarHBondContact OG1-NZ 2.93Å; P130-K296 WeakPolarHBondContact O-CE 3.25Å; P130-K296 PolarHBondContact O-NZ 2.98Å; V131-K296 HydrophobicContact CG2-CG 4.18Å; L280-K296 HydrophobicContact CB-CB 4.26Å; L280-K296 HydrophobicContact CD2-CD 4.24Å; L280-K296 PolarHBondContact N-O 2.89Å; L280-K296 VanDerWaalsContact N-O 3.15Å; L280-K296 PolarHBondContact O-N 2.91Å; V282-K296 HydrophobicContact CG1-CB 3.89Å; K296-Y308 HydrophobicContact CB-CD1 3.89Å; K296-Y308 HydrophobicContact CB-CE1 3.51Å; K296-Y308 HydrophobicContact CD-CE1 4.3Å; K296-Y308 HydrophobicContact CG-CD1 4.35Å; K296-Y308 HydrophobicContact CG-CE1 3.73Å
297N98.7Very high97.8Very high6 Ų644.6 Ų44.63%0.03223%0.227CC..  trans-104.1171.5176.6-158.2-1.7000110.9H277 W299 W303 G307 F309H277-N297 PolarHBondContact NE2-OD1 3.46Å; N297-W299 VanDerWaalsContact ND2-CZ3 3.33Å; N297-W299 WeakPolarHBondContact ND2-CZ3 3.35Å; N297-W303 HydrophobicContact CB-CE3 4.13Å; N297-W303 HydrophobicContact CB-CH2 4.3Å; N297-W303 HydrophobicContact CB-CZ3 3.61Å; N297-W303 WeakPolarHBondContact ND2-CH2 3.3Å; N297-W303 WeakPolarHBondContact ND2-CZ3 3.41Å; N297-G307 WeakPolarHBondContact CB-O 3.42Å; N297-G307 PolarHBondContact N-O 2.87Å; N297-F309 HydrophobicContact CB-CD1 4.4Å; N297-F309 HydrophobicContact CB-CE1 4.44Å
298S98.6Very high97.9Very high4 Ų442.5 Ų42.53%0.02822%0.216CC..SBendtrans-114.826.2-179.245.50000113K132 N133 Q134K132-S298 CarbonylContact O-C 3.45Å; N133-S298 CarbonylContact C-O 3.11Å; N133-S298 WeakPolarHBondContact CA-O 3.37Å; Q134-S298 WeakPolarHBondContact CG-O 3.49Å; Q134-S298 PolarHBondContact N-O 2.9Å; Q134-S298 PolarHBondContact OE1-OG 2.82Å
299W98.3Very high98.2Very high0 Ų034.9 Ų34.90%018%0.176CC..BIsolated β-bridgetrans-102.421.3179.5-61.2-17.8000114Q78 F79 M91 L92 Q134 A253 L257 I258 H277 N297 W303Q78-W299 PolarHBondContact NE2-O 2.92Å; F79-W299 HydrophobicContact CE2-CB 3.88Å; F79-W299 HydrophobicContact CE2-CG 4.23Å; F79-W299 HydrophobicContact CZ-CB 3.95Å; F79-W299 HydrophobicContact CZ-CG 4.26Å; M91-W299 VanDerWaalsContact CE-CD1 3.47Å; M91-W299 HydrophobicContact CE-CD2 4.4Å; M91-W299 HydrophobicContact CE-CG 4.02Å; L92-W299 HydrophobicContact CD2-CZ2 4.15Å; Q134-W299 VanDerWaalsContact OE1-CD1 3.27Å; A253-W299 HydrophobicContact CB-CH2 4.5Å; L257-W299 HydrophobicContact CD2-CH2 4.35Å; L257-W299 HydrophobicContact CG-CH2 4.34Å; L257-W299 HydrophobicContact CG-CZ3 4.32Å; I258-W299 HydrophobicContact CD1-CE3 4.3Å; I258-W299 HydrophobicContact CD1-CH2 3.43Å; I258-W299 VanDerWaalsContact CD1-CH2 3.43Å; I258-W299 HydrophobicContact CD1-CZ2 3.88Å; I258-W299 HydrophobicContact CD1-CZ3 3.65Å; H277-W299 AromaticContact CD2-CZ2 3.76Å; H277-W299 AromaticContact CE1-CE2 3.75Å; H277-W299 AromaticContact CE1-CZ2 3.62Å; H277-W299 AromaticContact CE1-NE1 3.56Å; H277-W299 AromaticContact NE2-CE2 3.68Å; H277-W299 AromaticContact NE2-CZ2 3.36Å; H277-W299 WeakPolarHBondContact NE2-CZ2 3.47Å; H277-W299 AromaticContact NE2-NE1 3.91Å; N297-W299 VanDerWaalsContact ND2-CZ3 3.33Å; N297-W299 WeakPolarHBondContact ND2-CZ3 3.35Å; W299-W303 HydrophobicContact CB-CB 4.2Å; W299-W303 HydrophobicContact CB-CD2 4.39Å; W299-W303 HydrophobicContact CB-CG 4.16Å; W299-W303 AromaticContact CE3-CD1 3.89Å; W299-W303 AromaticContact CE3-CD2 3.71Å; W299-W303 HydrophobicContact CE3-CD2 3.71Å; W299-W303 AromaticContact CE3-CE2 3.33Å; W299-W303 HydrophobicContact CE3-CE3 4.33Å; W299-W303 HydrophobicContact CE3-CG 4.06Å; W299-W303 HydrophobicContact CE3-CH2 4.28Å; W299-W303 AromaticContact CE3-CZ2 3.64Å; W299-W303 HydrophobicContact CE3-CZ2 3.64Å; W299-W303 AromaticContact CE3-NE1 3.46Å; W299-W303 HydrophobicContact CZ3-CD2 4.39Å; W299-W303 AromaticContact CZ3-CE2 3.58Å; W299-W303 HydrophobicContact CZ3-CH2 4.2Å; W299-W303 AromaticContact CZ3-CZ2 3.46Å; W299-W303 HydrophobicContact CZ3-CZ2 3.46Å; W299-W303 VanDerWaalsContact CZ3-CZ2 3.46Å; W299-W303 AromaticContact CZ3-NE1 3.75Å
300G98.3Very high98.5Very high6 Ų626 Ų266%0.06214%0.142CC..  trans77.7165.7179.700000114.4K132 T302 W303 G307K132-G300 WeakPolarHBondContact O-CA 3.49Å; K132-G300 PolarHBondContact O-N 3.08Å; G300-T302 VanDerWaalsContact C-N 3.26Å; G300-T302 PolarHBondContact O-N 2.74Å; G300-W303 PolarHBondContact O-N 3.07Å; G300-G307 WeakPolarHBondContact O-CA 3.16Å
301T98.3Very high98.6Very high81 Ų8122.9 Ų22.950%0.49713%0.129SC..THydrogen-bonded Turntrans-73.9-14.9-175.150.70000113.6V131 W303 N306V131-T301 HydrophobicContact CB-CG2 3.86Å; V131-T301 HydrophobicContact CG1-CG2 4.06Å; T301-W303 PolarHBondContact O-N 3.4Å; T301-N306 WeakPolarHBondContact O-CA 3.25Å
302T97.3Very high98.6Very high80 Ų8023.5 Ų23.549%0.49113%0.13SC..THydrogen-bonded Turntrans-79.3-8.1177.354.80000113.6Q78 G300Q78-T302 VanDerWaalsContact CD-OG1 3.29Å; Q78-T302 PolarHBondContact NE2-OG1 2.85Å; Q78-T302 PolarHBondContact OE1-OG1 3.33Å; G300-T302 VanDerWaalsContact C-N 3.26Å; G300-T302 PolarHBondContact O-N 2.74Å
303W98.5Very high98.6Very high0 Ų023.3 Ų23.30%013%0.129CC..SBendtrans-102.4145.8178.1177.790.8000111.3L257 I258 Y260 N297 W299 G300 T301 G307 F309L257-W303 HydrophobicContact CD1-CH2 4.31Å; L257-W303 HydrophobicContact CD1-CZ2 4.14Å; L257-W303 HydrophobicContact CG-CZ2 4.32Å; L257-W303 VanDerWaalsContact O-CZ2 3.25Å; L257-W303 WeakPolarHBondContact O-CZ2 3.33Å; I258-W303 PolarHBondContact O-NE1 3.02Å; Y260-W303 HydrophobicContact CD1-CH2 4.01Å; Y260-W303 HydrophobicContact CD1-CZ2 4.08Å; Y260-W303 HydrophobicContact CG-CZ2 4.38Å; N297-W303 HydrophobicContact CB-CE3 4.13Å; N297-W303 HydrophobicContact CB-CH2 4.3Å; N297-W303 HydrophobicContact CB-CZ3 3.61Å; N297-W303 WeakPolarHBondContact ND2-CH2 3.3Å; N297-W303 WeakPolarHBondContact ND2-CZ3 3.41Å; W299-W303 HydrophobicContact CB-CB 4.2Å; W299-W303 HydrophobicContact CB-CD2 4.39Å; W299-W303 HydrophobicContact CB-CG 4.16Å; W299-W303 AromaticContact CE3-CD1 3.89Å; W299-W303 AromaticContact CE3-CD2 3.71Å; W299-W303 HydrophobicContact CE3-CD2 3.71Å; W299-W303 AromaticContact CE3-CE2 3.33Å; W299-W303 HydrophobicContact CE3-CE3 4.33Å; W299-W303 HydrophobicContact CE3-CG 4.06Å; W299-W303 HydrophobicContact CE3-CH2 4.28Å; W299-W303 AromaticContact CE3-CZ2 3.64Å; W299-W303 HydrophobicContact CE3-CZ2 3.64Å; W299-W303 AromaticContact CE3-NE1 3.46Å; W299-W303 HydrophobicContact CZ3-CD2 4.39Å; W299-W303 AromaticContact CZ3-CE2 3.58Å; W299-W303 HydrophobicContact CZ3-CH2 4.2Å; W299-W303 AromaticContact CZ3-CZ2 3.46Å; W299-W303 HydrophobicContact CZ3-CZ2 3.46Å; W299-W303 VanDerWaalsContact CZ3-CZ2 3.46Å; W299-W303 AromaticContact CZ3-NE1 3.75Å; G300-W303 PolarHBondContact O-N 3.07Å; T301-W303 PolarHBondContact O-N 3.4Å; W303-G307 WeakPolarHBondContact O-CA 3.39Å; W303-G307 PolarHBondContact O-N 3.01Å; W303-F309 HydrophobicContact CH2-CB 3.79Å; W303-F309 AromaticContact CH2-CD1 3.61Å; W303-F309 HydrophobicContact CH2-CD1 3.61Å; W303-F309 HydrophobicContact CH2-CE1 4.38Å; W303-F309 AromaticContact CH2-CG 3.86Å; W303-F309 HydrophobicContact CH2-CG 3.86Å; W303-F309 HydrophobicContact CZ3-CB 4.14Å; W303-F309 AromaticContact CZ3-CD1 3.9Å; W303-F309 HydrophobicContact CZ3-CD1 3.9Å; W303-F309 HydrophobicContact CZ3-CG 4.38Å
304G98.7Very high98.5Very high19 Ų1927 Ų2720%0.19615%0.149CC..THydrogen-bonded Turntrans56-142.8176.300000114.2Y260 K261 N306Y260-G304 WeakPolarHBondContact O-CA 3.45Å; Y260-G304 PolarHBondContact O-N 3.29Å; K261-G304 CarbonylContact O-C 3.47Å; G304-N306 PolarHBondContact O-N 3.43Å
305M98.6Very high98.4Very high56 Ų5631.2 Ų31.228%0.27617%0.167SC..BIsolated β-bridgetrans-87.871.8176.9-61.3170.553.900110.2Y260 K261 G307 Y308 K310Y260-M305 HydrophobicContact CE1-CG 4.09Å; Y260-M305 PolarHBondContact OH-SD 2.87Å; K261-M305 WeakPolarHBondContact O-CG 3.2Å; K261-M305 PolarHBondContact O-N 2.82Å; M305-G307 VanDerWaalsContact C-N 3.31Å; M305-G307 PolarHBondContact O-N 3.01Å; M305-Y308 WeakPolarHBondContact CA-O 3.28Å; M305-Y308 WeakPolarHBondContact CB-O 3.39Å; M305-Y308 PolarHBondContact N-O 3.15Å; M305-Y308 PolarHBondContact O-N 2.99Å; M305-K310 HydrophobicContact SD-CD 4.29Å; M305-K310 HydrophobicContact SD-CG 4.27Å
306N98.4Very high98.2Very high124 Ų12438.9 Ų38.966%0.66320%0.202SC*.THydrogen-bonded Turntrans56.541.5-174.5-60.2-44.8000113T301 G304 Y308T301-N306 WeakPolarHBondContact O-CA 3.25Å; G304-N306 PolarHBondContact O-N 3.43Å; N306-Y308 WeakPolarHBondContact O-CD2 3.16Å
307G98.7Very high98.1Very high0 Ų038.3 Ų38.30%020%0.2CC..THydrogen-bonded Turntrans88.93.6-177.100000115.6N297 G300 W303 M305N297-G307 WeakPolarHBondContact CB-O 3.42Å; N297-G307 PolarHBondContact N-O 2.87Å; G300-G307 WeakPolarHBondContact O-CA 3.16Å; W303-G307 WeakPolarHBondContact O-CA 3.39Å; W303-G307 PolarHBondContact O-N 3.01Å; M305-G307 VanDerWaalsContact C-N 3.31Å; M305-G307 PolarHBondContact O-N 3.01Å
308Y98.9Very high98.1Very high21 Ų2138.9 Ų38.98%0.08220%0.203CC..EExtended strand (participates in β ladder)trans-112.4158.9175.6-62.4-96.2000111.1R123 V131 V282 L294 I295 K296 M305 N306R123-Y308 HydrophobicContact CG-CE1 4.44Å; V131-Y308 HydrophobicContact CG2-CD2 3.99Å; V131-Y308 HydrophobicContact CG2-CE2 3.38Å; V282-Y308 HydrophobicContact CG2-CD1 4.25Å; V282-Y308 HydrophobicContact CG2-CE1 4.04Å; L294-Y308 HydrophobicContact CD1-CD1 4.4Å; I295-Y308 VanDerWaalsContact O-CA 3.23Å; I295-Y308 WeakPolarHBondContact O-CA 3.42Å; I295-Y308 WeakPolarHBondContact O-CB 3.49Å; I295-Y308 WeakPolarHBondContact O-CD1 3.4Å; K296-Y308 HydrophobicContact CB-CD1 3.89Å; K296-Y308 HydrophobicContact CB-CE1 3.51Å; K296-Y308 HydrophobicContact CD-CE1 4.3Å; K296-Y308 HydrophobicContact CG-CD1 4.35Å; K296-Y308 HydrophobicContact CG-CE1 3.73Å; M305-Y308 WeakPolarHBondContact CA-O 3.28Å; M305-Y308 WeakPolarHBondContact CB-O 3.39Å; M305-Y308 PolarHBondContact N-O 3.15Å; M305-Y308 PolarHBondContact O-N 2.99Å; N306-Y308 WeakPolarHBondContact O-CD2 3.16Å
309F98.9Very high98Very high0 Ų038.7 Ų38.70%020%0.202CC..EExtended strand (participates in β ladder)trans-142.5161.3166.770.9-74.5000110.5I251 L257 Y260 V279 I295 N297 W303 L311I251-F309 HydrophobicContact CD1-CE2 4.4Å; I251-F309 HydrophobicContact CD1-CZ 3.8Å; L257-F309 HydrophobicContact CD1-CD2 3.89Å; L257-F309 HydrophobicContact CD1-CE2 4Å; L257-F309 HydrophobicContact CD1-CG 4.36Å; Y260-F309 HydrophobicContact CD1-CB 3.56Å; Y260-F309 HydrophobicContact CD2-CB 4.48Å; Y260-F309 HydrophobicContact CE1-CB 3.21Å; Y260-F309 HydrophobicContact CE2-CB 4.17Å; Y260-F309 HydrophobicContact CG-CB 4.2Å; V279-F309 HydrophobicContact CG1-CE1 4.47Å; I295-F309 HydrophobicContact CB-CD1 3.81Å; I295-F309 HydrophobicContact CB-CE1 3.41Å; I295-F309 VanDerWaalsContact CB-CE1 3.41Å; I295-F309 HydrophobicContact CB-CE2 4.31Å; I295-F309 HydrophobicContact CB-CG 4.42Å; I295-F309 HydrophobicContact CB-CZ 3.67Å; I295-F309 HydrophobicContact CG1-CE1 4.18Å; I295-F309 HydrophobicContact CG1-CE2 4.24Å; I295-F309 HydrophobicContact CG1-CZ 3.9Å; I295-F309 HydrophobicContact CG2-CD1 4.05Å; I295-F309 HydrophobicContact CG2-CE1 3.24Å; I295-F309 HydrophobicContact CG2-CZ 3.59Å; I295-F309 PolarHBondContact N-O 3.3Å; I295-F309 PolarHBondContact O-N 3.05Å; N297-F309 HydrophobicContact CB-CD1 4.4Å; N297-F309 HydrophobicContact CB-CE1 4.44Å; W303-F309 HydrophobicContact CH2-CB 3.79Å; W303-F309 AromaticContact CH2-CD1 3.61Å; W303-F309 HydrophobicContact CH2-CD1 3.61Å; W303-F309 HydrophobicContact CH2-CE1 4.38Å; W303-F309 AromaticContact CH2-CG 3.86Å; W303-F309 HydrophobicContact CH2-CG 3.86Å; W303-F309 HydrophobicContact CZ3-CB 4.14Å; W303-F309 AromaticContact CZ3-CD1 3.9Å; W303-F309 HydrophobicContact CZ3-CD1 3.9Å; W303-F309 HydrophobicContact CZ3-CG 4.38Å; F309-L311 HydrophobicContact CD2-CB 4.38Å; F309-L311 HydrophobicContact CE2-CB 3.9Å
310K98.9Very high97.9Very high24 Ų2438.7 Ų38.710%0.10420%0.202CC..EExtended strand (participates in β ladder)trans-104.4124.8172-64.3168.7176.1164.10108.6Y260 G263 I264 Y265 E287 Y292 W293 L294 M305Y260-K310 PolarHBondContact OH-N 2.99Å; G263-K310 WeakPolarHBondContact O-CB 3.22Å; I264-K310 HydrophobicContact CG1-CB 4.34Å; I264-K310 HydrophobicContact CG1-CD 4.38Å; Y265-K310 WeakPolarHBondContact CB-O 3.35Å; Y265-K310 PolarHBondContact N-O 2.92Å; E287-K310 WeakPolarHBondContact OE1-CE 3.1Å; E287-K310 IonicContact OE1-NZ 3.13Å; E287-K310 PolarHBondContact OE1-NZ 2.76Å; E287-K310 IonicContact OE2-NZ 3Å; E287-K310 PolarHBondContact OE2-NZ 2.77Å; Y292-K310 HydrophobicContact CD1-CD 4.24Å; Y292-K310 HydrophobicContact CD2-CB 4.02Å; Y292-K310 HydrophobicContact CD2-CD 4.02Å; Y292-K310 HydrophobicContact CD2-CG 3.69Å; Y292-K310 HydrophobicContact CE1-CD 4.24Å; Y292-K310 HydrophobicContact CE2-CD 4.05Å; Y292-K310 HydrophobicContact CE2-CG 3.97Å; Y292-K310 HydrophobicContact CG-CB 4.07Å; Y292-K310 HydrophobicContact CG-CD 4.11Å; Y292-K310 HydrophobicContact CG-CG 4.09Å; W293-K310 CarbonylContact O-C 3.56Å; W293-K310 VanDerWaalsContact O-CA 3.24Å; W293-K310 WeakPolarHBondContact O-CA 3.43Å; L294-K310 HydrophobicContact CD1-CG 4.49Å; M305-K310 HydrophobicContact SD-CD 4.29Å; M305-K310 HydrophobicContact SD-CG 4.27Å
311L98.8Very high97.9Very high0 Ų038.4 Ų38.40%020%0.199CC..EExtended strand (participates in β ladder)trans-102.7136.4174.818064.4000109.4I251 Y265 Y292 W293 I295 F309 R313 M318 I321I251-L311 HydrophobicContact CG2-CD2 4.23Å; Y265-L311 HydrophobicContact CD1-CD1 3.56Å; Y265-L311 HydrophobicContact CE1-CD1 4.06Å; Y292-L311 CarbonylContact C-O 3.5Å; Y292-L311 WeakPolarHBondContact CA-O 3.36Å; Y292-L311 WeakPolarHBondContact CB-O 3.41Å; W293-L311 HydrophobicContact CB-CB 4.38Å; W293-L311 PolarHBondContact N-O 3.19Å; W293-L311 PolarHBondContact O-N 3.43Å; I295-L311 HydrophobicContact CG1-CB 4.31Å; F309-L311 HydrophobicContact CD2-CB 4.38Å; F309-L311 HydrophobicContact CE2-CB 3.9Å; L311-R313 PolarHBondContact O-N 3.02Å; L311-M318 HydrophobicContact CD1-CB 4.48Å; L311-M318 HydrophobicContact CD1-CG 3.69Å; L311-M318 HydrophobicContact CG-CG 4.26Å; L311-I321 HydrophobicContact CD2-CB 3.67Å; L311-I321 HydrophobicContact CD2-CD1 3.72Å; L311-I321 HydrophobicContact CD2-CG1 3.77Å; L311-I321 HydrophobicContact CD2-CG2 4.34Å
312R98.4Very high97.8Very high35 Ų3534.6 Ų34.613%0.13218%0.175CC..EExtended strand (participates in β ladder)trans-56.7123.1176.2-173.672.1179.588.810.9110.8I264 Y265 E266 D291 K315 M318I264-R312 HydrophobicContact CG2-CB 3.98Å; Y265-R312 PolarHBondContact O-N 2.04Å; E266-R312 HydrophobicContact CB-CB 4.04Å; D291-R312 PolarHBondContact O-NH1 2.89Å; R312-K315 HydrophobicContact CG-CB 3.63Å; R312-K315 HydrophobicContact CG-CG 4.07Å; R312-M318 HydrophobicContact CB-CE 4.32Å; R312-M318 HydrophobicContact CB-CG 4.28Å; R312-M318 HydrophobicContact CG-CE 4.46Å; R312-M318 VanDerWaalsContact O-CB 3.25Å; R312-M318 WeakPolarHBondContact O-CB 3.39Å
313R98.3Very high97.7Very high10 Ų1031.6 Ų31.64%0.03816%0.157CC..PPolyproline II helixtrans-100.2154.1178.1179.2167.970.786.6-0.9111.6E234 Q238 D291 Y292 W293 L311 K315E234-R313 WeakPolarHBondContact OE2-CG 3.03Å; Q238-R313 VanDerWaalsContact OE1-NH1 3.1Å; D291-R313 HydrophobicContact CB-CB 4.03Å; D291-R313 HydrophobicContact CB-CG 4.43Å; D291-R313 PolarHBondContact O-N 3.23Å; D291-R313 IonicContact OD1-NH2 2.8Å; Y292-R313 PolarHBondContact O-NE 2.76Å; W293-R313 HydrophobicContact CD2-CB 4.32Å; W293-R313 VanDerWaalsContact CD2-CD 3.45Å; W293-R313 HydrophobicContact CD2-CG 4.02Å; W293-R313 VanDerWaalsContact CE2-CG 3.41Å; W293-R313 HydrophobicContact CG-CB 4.09Å; W293-R313 HydrophobicContact CG-CG 4.3Å; W293-R313 HydrophobicContact CH2-CG 4.47Å; W293-R313 HydrophobicContact CZ2-CG 3.68Å; W293-R313 VanDerWaalsContact NE1-CG 3.34Å; L311-R313 PolarHBondContact O-N 3.02Å; R313-K315 VanDerWaalsContact C-N 3.28Å; R313-K315 PolarHBondContact O-N 2.93Å
314N96.8Very high97.4Very high77 Ų7733.4 Ų33.441%0.41217%0.166SC..SBendtrans5742.5-179.7-54.1-31000111.8E234 D291E234-N314 WeakPolarHBondContact OE1-CA 3.23Å; E234-N314 PolarHBondContact OE1-N 2.63Å; E234-N314 PolarHBondContact OE2-N 3.23Å; D291-N314 PolarHBondContact OD2-ND2 2.86Å; D291-N314 VanDerWaalsContact OD2-ND2 3.09Å
315K96.6Very high97.3Very high94 Ų9432.6 Ų32.641%0.40916%0.158SC..SBendtrans-133.459.9179.9-169.561.8176176.10109.8R312 R313 M318R312-K315 HydrophobicContact CG-CB 3.63Å; R312-K315 HydrophobicContact CG-CG 4.07Å; R313-K315 VanDerWaalsContact C-N 3.28Å; R313-K315 PolarHBondContact O-N 2.93Å; K315-M318 HydrophobicContact CB-CE 4.01Å; K315-M318 HydrophobicContact CG-CE 3.57Å
316H95.8Very high97.1Very high161 Ų16130 Ų3075%0.74515%0.146SC*.SBendtrans59.446.8179-44.2114.2000113.2
317N96.9Very high97Very high6 Ų624.1 Ų24.13%0.03211%0.114CC..SBendtrans54.157.2-179.2-174.432.9000111.8R232 E234 S272 C319 G320 I321 A322 T323R232-N317 HydrophobicContact CB-CB 4.49Å; E234-N317 WeakPolarHBondContact OE1-CA 3.22Å; E234-N317 PolarHBondContact OE1-N 3.44Å; S272-N317 PolarHBondContact OG-O 3.07Å; N317-C319 PolarHBondContact O-N 2.87Å; N317-G320 PolarHBondContact O-N 3.36Å; N317-G320 VanDerWaalsContact OD1-C 3.29Å; N317-I321 PolarHBondContact OD1-N 3.09Å; N317-A322 WeakPolarHBondContact OD1-CB 3.31Å; N317-A322 PolarHBondContact OD1-N 2.88Å; N317-T323 PolarHBondContact ND2-OG1 2.79Å
318M97.9Very high96.9Very high18 Ų1824.1 Ų24.19%0.08911%0.114CC..G310 helixtrans-49.4123.9-175.4-179.363.664.200110.8E266 L311 R312 K315 G320 I321E266-M318 HydrophobicContact CB-CE 4.09Å; L311-M318 HydrophobicContact CD1-CB 4.48Å; L311-M318 HydrophobicContact CD1-CG 3.69Å; L311-M318 HydrophobicContact CG-CG 4.26Å; R312-M318 HydrophobicContact CB-CE 4.32Å; R312-M318 HydrophobicContact CB-CG 4.28Å; R312-M318 HydrophobicContact CG-CE 4.46Å; R312-M318 VanDerWaalsContact O-CB 3.25Å; R312-M318 WeakPolarHBondContact O-CB 3.39Å; K315-M318 HydrophobicContact CB-CE 4.01Å; K315-M318 HydrophobicContact CG-CE 3.57Å; M318-G320 PolarHBondContact O-N 2.64Å; M318-I321 PolarHBondContact O-N 2.74Å
319C97.3Very high96.7Very high1 Ų124.6 Ų24.61%0.00712%0.118CC..G310 helixtrans5122.9-177.5-480000114.7I251 D252 C270 S271 N317I251-C319 CarbonylContact C-O 3.57Å; I251-C319 WeakPolarHBondContact CA-O 3.34Å; I251-C319 HydrophobicContact CB-CB 4.38Å; I251-C319 WeakPolarHBondContact CB-O 3.29Å; D252-C319 PolarHBondContact N-O 2.97Å; C270-C319 HydrophobicContact CB-CB 3.63Å; C270-C319 WeakPolarHBondContact CB-SG 3.46Å; C270-C319 WeakPolarHBondContact SG-CA 3.31Å; C270-C319 WeakPolarHBondContact SG-CB 3Å; C270-C319 PolarHBondContact SG-N 3.5Å; C270-C319 CovalentContact SG-SG 2.04Å; C270-C319 PolarHBondContact SG-SG 3.2Å; S271-C319 CarbonylContact O-C 3.14Å; S271-C319 WeakPolarHBondContact O-CA 3.3Å; N317-C319 PolarHBondContact O-N 2.87Å
320G96Very high96.5Very high0 Ų026.1 Ų26.10%013%0.126CC..G310 helixtrans78.717.1175.100000115.8A250 S271 N317 M318 A322 T323A250-G320 VanDerWaalsContact O-O 3.14Å; S271-G320 PolarHBondContact O-N 3.34Å; N317-G320 PolarHBondContact O-N 3.36Å; N317-G320 VanDerWaalsContact OD1-C 3.29Å; M318-G320 PolarHBondContact O-N 2.64Å; G320-A322 PolarHBondContact O-N 3.46Å; G320-T323 VanDerWaalsContact O-CB 3.26Å; G320-T323 WeakPolarHBondContact O-CB 3.31Å; G320-T323 PolarHBondContact O-N 3.43Å; G320-T323 PolarHBondContact O-OG1 2.68Å
321I97.9Very high96.4Very high0 Ų026.3 Ų26.30%013%0.127CC..THydrogen-bonded Turntrans-50-30.7-174.1-16962.4000115.9L237 V249 I251 W293 I295 L311 N317 M318L237-I321 HydrophobicContact CD2-CG1 4.26Å; V249-I321 HydrophobicContact CB-CD1 4.04Å; V249-I321 WeakPolarHBondContact CB-O 3.47Å; V249-I321 WeakPolarHBondContact CG1-O 3.39Å; V249-I321 HydrophobicContact CG2-CD1 3.43Å; V249-I321 VanDerWaalsContact CG2-CD1 3.43Å; I251-I321 HydrophobicContact CG2-CB 4.26Å; I251-I321 HydrophobicContact CG2-CD1 3.53Å; W293-I321 HydrophobicContact CG-CG1 4.23Å; I295-I321 HydrophobicContact CD1-CD1 3.87Å; L311-I321 HydrophobicContact CD2-CB 3.67Å; L311-I321 HydrophobicContact CD2-CD1 3.72Å; L311-I321 HydrophobicContact CD2-CG1 3.77Å; L311-I321 HydrophobicContact CD2-CG2 4.34Å; N317-I321 PolarHBondContact OD1-N 3.09Å; M318-I321 PolarHBondContact O-N 2.74Å
322A96.5Very high96.3Very high1 Ų127.6 Ų27.61%0.00813%0.134CC..THydrogen-bonded Turntrans-1063.717800000113.4A231 R232 E234 L237 N317 G320A231-A322 CarbonylContact C-O 3.48Å; A231-A322 WeakPolarHBondContact CA-O 3.2Å; R232-A322 PolarHBondContact N-O 2.85Å; E234-A322 HydrophobicContact CG-CB 4Å; L237-A322 HydrophobicContact CB-CB 4.43Å; L237-A322 HydrophobicContact CD2-CB 3.95Å; N317-A322 WeakPolarHBondContact OD1-CB 3.31Å; N317-A322 PolarHBondContact OD1-N 2.88Å; G320-A322 PolarHBondContact O-N 3.46Å
323T94.5Very high96.2Very high17 Ų1727.2 Ų27.210%0.10413%0.134CC..THydrogen-bonded Turntrans-71.8-37.9-178.6-63.40000112.1S272 L275 N317 G320S272-T323 PolarHBondContact O-OG1 3.43Å; L275-T323 HydrophobicContact CD1-CG2 4.02Å; N317-T323 PolarHBondContact ND2-OG1 2.79Å; G320-T323 VanDerWaalsContact O-CB 3.26Å; G320-T323 WeakPolarHBondContact O-CB 3.31Å; G320-T323 PolarHBondContact O-N 3.43Å; G320-T323 PolarHBondContact O-OG1 2.68Å
324N93.3Very high96Very high37 Ų3728.2 Ų28.220%0.19814%0.14CC..SBendtrans-136.871-176.5-133.7-147.6000108.4V249 A250 L275V249-N324 WeakPolarHBondContact CA-O 3.11Å; A250-N324 HydrophobicContact CB-CB 4.13Å; A250-N324 PolarHBondContact N-O 3.06Å; L275-N324 HydrophobicContact CD1-CB 3.66Å
325A95.4Very high96Very high3 Ų325.2 Ų25.23%0.02512%0.123CC..EExtended strand (participates in β ladder)trans-108.1123.6179.900000109.9L229 L237 I247 S248 V249L229-A325 HydrophobicContact CB-CB 4.24Å; L229-A325 HydrophobicContact CD1-CB 4.07Å; L229-A325 PolarHBondContact N-O 2.72Å; L237-A325 HydrophobicContact CD1-CB 3.94Å; I247-A325 HydrophobicContact CG2-CB 4.32Å; S248-A325 VanDerWaalsContact O-CA 3.32Å; S248-A325 WeakPolarHBondContact O-CA 3.49Å; V249-A325 HydrophobicContact CG1-CB 3.87Å
326S95.3Very high96Very high2 Ų220.6 Ų20.61%0.01410%0.103CC..EExtended strand (participates in β ladder)trans-147.5160.4-179.364.50000111.3D186 V227 D228 I247 S248D186-S326 WeakPolarHBondContact OD1-CB 3.35Å; D186-S326 PolarHBondContact OD1-OG 3.44Å; V227-S326 CarbonylContact O-C 3.46Å; V227-S326 WeakPolarHBondContact O-CA 3.29Å; V227-S326 WeakPolarHBondContact O-CB 3Å; D228-S326 WeakPolarHBondContact OD1-CB 3.49Å; I247-S326 WeakPolarHBondContact CG2-O 3.39Å; S248-S326 VanDerWaalsContact CB-O 3.3Å; S248-S326 WeakPolarHBondContact CB-O 3.31Å; S248-S326 PolarHBondContact N-O 3.17Å; S248-S326 PolarHBondContact O-N 2.63Å
327F96.3Very high96Very high0 Ų010.6 Ų10.60%06%0.058CC..EExtended strand (participates in β ladder)trans-152.2149.8176.564.7-78.6000111.6L109 F226 V227 L229 A240 Y244 I247 L329L109-F327 HydrophobicContact CD2-CZ 3.74Å; F226-F327 CarbonylContact C-O 3.6Å; F226-F327 WeakPolarHBondContact CA-O 3.49Å; F226-F327 WeakPolarHBondContact CB-O 3.17Å; V227-F327 HydrophobicContact CB-CD1 4.24Å; V227-F327 HydrophobicContact CB-CE1 3.68Å; V227-F327 HydrophobicContact CB-CE2 4.32Å; V227-F327 HydrophobicContact CB-CZ 3.74Å; V227-F327 HydrophobicContact CG1-CE1 3.77Å; V227-F327 HydrophobicContact CG1-CZ 3.96Å; V227-F327 HydrophobicContact CG2-CE2 4.4Å; V227-F327 HydrophobicContact CG2-CZ 4.09Å; V227-F327 PolarHBondContact N-O 3.33Å; V227-F327 PolarHBondContact O-N 3.04Å; L229-F327 HydrophobicContact CD2-CE1 3.88Å; L229-F327 HydrophobicContact CG-CE1 4.29Å; A240-F327 HydrophobicContact CB-CE1 4.21Å; Y244-F327 AromaticContact CD1-CE2 3.64Å; Y244-F327 HydrophobicContact CD1-CE2 3.64Å; Y244-F327 HydrophobicContact CD1-CZ 4.16Å; Y244-F327 HydrophobicContact CD2-CE2 4.46Å; Y244-F327 HydrophobicContact CD2-CZ 4.31Å; Y244-F327 HydrophobicContact CE1-CE2 4.47Å; Y244-F327 HydrophobicContact CG-CD2 4.47Å; Y244-F327 AromaticContact CG-CE2 3.63Å; Y244-F327 HydrophobicContact CG-CE2 3.63Å; Y244-F327 AromaticContact CG-CZ 3.92Å; Y244-F327 HydrophobicContact CG-CZ 3.92Å; I247-F327 HydrophobicContact CD1-CB 3.71Å; I247-F327 HydrophobicContact CD1-CD1 3.72Å; I247-F327 HydrophobicContact CD1-CD2 4.41Å; I247-F327 HydrophobicContact CD1-CE1 4.48Å; I247-F327 HydrophobicContact CD1-CG 3.69Å; F327-L329 HydrophobicContact CD2-CD2 4.34Å; F327-L329 HydrophobicContact CE2-CD2 3.82Å; F327-L329 HydrophobicContact CE2-CG 4.28Å
328P96.4Very high95.9Very high0 Ų010.9 Ų10.90%06%0.06CC..EExtended strand (participates in β ladder)trans-80.2160.817732.1-29.7000110.9A148 V149 Q152 F189 V223A148-P328 HydrophobicContact CB-CG 4.25Å; V149-P328 HydrophobicContact CB-CG 4.34Å; V149-P328 HydrophobicContact CG2-CB 4.26Å; V149-P328 HydrophobicContact CG2-CG 3.66Å; Q152-P328 VanDerWaalsContact CD-O 3.27Å; Q152-P328 HydrophobicContact CG-CG 3.96Å; Q152-P328 WeakPolarHBondContact CG-O 3.32Å; F189-P328 HydrophobicContact CD1-CB 3.96Å; F189-P328 HydrophobicContact CD1-CG 4.13Å; F189-P328 HydrophobicContact CE1-CB 4.11Å; F189-P328 HydrophobicContact CE1-CG 3.76Å; F189-P328 HydrophobicContact CG-CB 4.38Å; F189-P328 HydrophobicContact CZ-CG 4.19Å; V223-P328 HydrophobicContact CB-CB 4.4Å; V223-P328 HydrophobicContact CG1-CB 3.78Å; V223-P328 HydrophobicContact CG2-CB 3.68Å
329L95.2Very high95.7Very high30 Ų3010.3 Ų10.316%0.1576%0.057CC..EExtended strand (participates in β ladder)trans-121.9131.1164.7-68.2174.8000108L109 K224 K225 V227 Y244 F327L109-L329 HydrophobicContact CD1-CD1 4.23Å; K224-L329 WeakPolarHBondContact CB-O 3.37Å; K224-L329 PolarHBondContact N-O 2.88Å; K225-L329 HydrophobicContact CD-CD1 4.49Å; K225-L329 HydrophobicContact CG-CB 4.27Å; K225-L329 HydrophobicContact CG-CD1 4.08Å; K225-L329 PolarHBondContact N-O 2.95Å; K225-L329 PolarHBondContact O-N 2.69Å; V227-L329 HydrophobicContact CG2-CD1 3.81Å; V227-L329 HydrophobicContact CG2-CG 4.31Å; Y244-L329 HydrophobicContact CD1-CD2 4.01Å; Y244-L329 HydrophobicContact CE1-CD2 4.32Å; F327-L329 HydrophobicContact CD2-CD2 4.34Å; F327-L329 HydrophobicContact CE2-CD2 3.82Å; F327-L329 HydrophobicContact CE2-CG 4.28Å
330L94.7Very high95.6Very high33 Ų3311.2 Ų11.217%0.1736%0.062CC..  trans-90.90178.7-57.7-179.5000111.9V149 Q152 L153 K156 V221 K222 V223V149-L330 HydrophobicContact CG1-CD2 4.2Å; Q152-L330 HydrophobicContact CB-CD1 3.55Å; Q152-L330 HydrophobicContact CB-CG 3.63Å; L153-L330 HydrophobicContact CB-CD1 4.1Å; L153-L330 HydrophobicContact CD1-CD1 4.19Å; K156-L330 HydrophobicContact CD-CB 3.76Å; K156-L330 PolarHBondContact NZ-O 3.17Å; K156-L330 PolarHBondContact NZ-OXT 3.31Å; V221-L330 HydrophobicContact CG1-CD1 4.4Å; V221-L330 HydrophobicContact CG1-CD2 4.1Å; V221-L330 HydrophobicContact CG2-CD1 4.01Å; V221-L330 HydrophobicContact CG2-CD2 3.96Å; V221-L330 HydrophobicContact CG2-CG 4.37Å; K222-L330 WeakPolarHBondContact O-CD2 3.24Å; V223-L330 HydrophobicContact CG2-CD2 4.28Å

Retrieved 330 of 330 residues in 72.3 ms (Link to these results)

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