A0A3Q0KE65_SCHMA Loading...

Dolichyl-phosphate beta-glucosyltransferase

AlphaFold DB , UniProt , Accession A0A3Q0KE65, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 327 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
1M66.7Low88.6Confident131 Ų131107.9 Ų107.965%0.64555%0.55SS*.  0136.20-87.1174.952.400108.6L5 W6M1-L5 HydrophobicContact CB-CB 4.34Å; M1-L5 HydrophobicContact CB-CD2 4.41Å; M1-L5 HydrophobicContact CE-CB 3.86Å; M1-L5 HydrophobicContact CE-CD2 3.91Å; M1-L5 HydrophobicContact CE-CG 3.94Å; M1-L5 HydrophobicContact CG-CB 4.37Å; M1-L5 HydrophobicContact CG-CD2 3.6Å; M1-L5 HydrophobicContact CG-CG 4.49Å; M1-L5 HydrophobicContact SD-CD2 4.03Å; M1-W6 HydrophobicContact CB-CG 4.45Å; M1-W6 HydrophobicContact CE-CB 4.33Å; M1-W6 HydrophobicContact CE-CD2 3.6Å; M1-W6 HydrophobicContact CE-CE3 3.95Å; M1-W6 HydrophobicContact CE-CG 3.77Å; M1-W6 HydrophobicContact CE-CZ2 4.48Å; M1-W6 HydrophobicContact SD-CD2 4.45Å; M1-W6 HydrophobicContact SD-CZ2 4.31Å
2S89.2Confident89Confident65 Ų65104.9 Ų104.946%0.45555%0.546SS..  trans-63.5156170590000110E4 L5 W6S2-E4 PolarHBondContact O-N 3.29Å; S2-L5 PolarHBondContact O-N 3.35Å; S2-L5 PolarHBondContact OG-N 3.35Å; S2-W6 PolarHBondContact O-N 2.9Å
3L86.2Confident89.4Confident153 Ų153105.5 Ų105.580%0.80155%0.548SS*.Hα-helixtrans-53.7-37.6174.4-174.970.7000111.3L5 W6 L7L3-L5 PolarHBondContact O-N 3.24Å; L3-W6 PolarHBondContact O-N 3.24Å; L3-L7 PolarHBondContact O-N 3.28Å
4E89.4Confident89.9Confident147 Ų147104.4 Ų104.469%0.68754%0.542SS*.Hα-helixtrans-60.4-42.7175.6-64.6175.4174.500112.6S2 L7 L8S2-E4 PolarHBondContact O-N 3.29Å; E4-L7 PolarHBondContact O-N 3.04Å; E4-L8 WeakPolarHBondContact O-CB 3.48Å; E4-L8 WeakPolarHBondContact O-CG 3.35Å; E4-L8 PolarHBondContact O-N 2.99Å
5L89.5Confident90.2Very high86 Ų86102.1 Ų102.145%0.4553%0.534SS..Hα-helixtrans-68.1-38.1179.8-152.276000111.4M1 S2 L3 L8 S9M1-L5 HydrophobicContact CB-CB 4.34Å; M1-L5 HydrophobicContact CB-CD2 4.41Å; M1-L5 HydrophobicContact CE-CB 3.86Å; M1-L5 HydrophobicContact CE-CD2 3.91Å; M1-L5 HydrophobicContact CE-CG 3.94Å; M1-L5 HydrophobicContact CG-CB 4.37Å; M1-L5 HydrophobicContact CG-CD2 3.6Å; M1-L5 HydrophobicContact CG-CG 4.49Å; M1-L5 HydrophobicContact SD-CD2 4.03Å; S2-L5 PolarHBondContact O-N 3.35Å; S2-L5 PolarHBondContact OG-N 3.35Å; L3-L5 PolarHBondContact O-N 3.24Å; L5-L8 PolarHBondContact O-N 2.92Å; L5-S9 WeakPolarHBondContact O-CB 3.27Å; L5-S9 PolarHBondContact O-N 3.49Å; L5-S9 PolarHBondContact O-OG 3.05Å
6W90.7Very high90.6Very high162 Ų162100.6 Ų100.661%0.61453%0.531SS*.Hα-helixtrans-62.6-42.6173.2-81.6113.5000112.1M1 S2 L3 S9 L10M1-W6 HydrophobicContact CB-CG 4.45Å; M1-W6 HydrophobicContact CE-CB 4.33Å; M1-W6 HydrophobicContact CE-CD2 3.6Å; M1-W6 HydrophobicContact CE-CE3 3.95Å; M1-W6 HydrophobicContact CE-CG 3.77Å; M1-W6 HydrophobicContact CE-CZ2 4.48Å; M1-W6 HydrophobicContact SD-CD2 4.45Å; M1-W6 HydrophobicContact SD-CZ2 4.31Å; S2-W6 PolarHBondContact O-N 2.9Å; L3-W6 PolarHBondContact O-N 3.24Å; W6-S9 PolarHBondContact O-N 3.5Å; W6-L10 WeakPolarHBondContact O-CB 3.31Å; W6-L10 PolarHBondContact O-N 2.9Å
7L91.2Very high90.8Very high100 Ų100101.3 Ų101.352%0.52453%0.534SS..Hα-helixtrans-65.2-45.6178.2-176.162.8000111.6L3 E4 L10 I11L3-L7 PolarHBondContact O-N 3.28Å; E4-L7 PolarHBondContact O-N 3.04Å; L7-L10 PolarHBondContact O-N 2.94Å; L7-I11 HydrophobicContact CD1-CD1 4.16Å; L7-I11 HydrophobicContact CD1-CG1 4.44Å; L7-I11 HydrophobicContact CG-CD1 3.9Å; L7-I11 VanDerWaalsContact O-CG1 3.27Å; L7-I11 WeakPolarHBondContact O-CG1 3.33Å; L7-I11 PolarHBondContact O-N 3.46Å
8L92.4Very high91.1Very high113 Ų113100.7 Ų100.759%0.59254%0.535SS*.Hα-helixtrans-62.3-42.9176.3-72.7171.3000111.9E4 L5 I11 S12E4-L8 WeakPolarHBondContact O-CB 3.48Å; E4-L8 WeakPolarHBondContact O-CG 3.35Å; E4-L8 PolarHBondContact O-N 2.99Å; L5-L8 PolarHBondContact O-N 2.92Å; L8-I11 PolarHBondContact O-N 3.48Å; L8-S12 WeakPolarHBondContact O-CB 3.41Å; L8-S12 PolarHBondContact O-N 2.96Å
9S91.2Very high91.4Very high49 Ų49100.3 Ų100.334%0.34353%0.532SS..Hα-helixtrans-61.3-44.4174.4-65.60000111.8L5 W6 S12 I13L5-S9 WeakPolarHBondContact O-CB 3.27Å; L5-S9 PolarHBondContact O-N 3.49Å; L5-S9 PolarHBondContact O-OG 3.05Å; W6-S9 PolarHBondContact O-N 3.5Å; S9-S12 PolarHBondContact O-N 3.27Å; S9-I13 WeakPolarHBondContact O-CD1 3.31Å; S9-I13 VanDerWaalsContact O-CG1 3.23Å; S9-I13 WeakPolarHBondContact O-CG1 3.36Å; S9-I13 PolarHBondContact O-N 2.87Å
10L93.5Very high91.6Very high96 Ų9698.7 Ų98.750%0.50353%0.526SS..Hα-helixtrans-62.9-46.2178-177.464.5000111.8W6 L7 S12 I13 I14W6-L10 WeakPolarHBondContact O-CB 3.31Å; W6-L10 PolarHBondContact O-N 2.9Å; L7-L10 PolarHBondContact O-N 2.94Å; L10-S12 VanDerWaalsContact C-N 3.33Å; L10-S12 PolarHBondContact O-N 2.95Å; L10-I13 PolarHBondContact O-N 2.73Å; L10-I14 HydrophobicContact CD1-CD1 4.14Å; L10-I14 HydrophobicContact CD1-CG1 4.49Å; L10-I14 HydrophobicContact CG-CD1 3.94Å; L10-I14 VanDerWaalsContact O-CG1 3.31Å; L10-I14 WeakPolarHBondContact O-CG1 3.23Å; L10-I14 PolarHBondContact O-N 3.39Å
11I94.2Very high91.7Very high85 Ų8597 Ų9744%0.43652%0.52SS..Hα-helixtrans-60.8-43.3176.5-68.4166.8000110.6L7 L8 I13 I14 T15L7-I11 HydrophobicContact CD1-CD1 4.16Å; L7-I11 HydrophobicContact CD1-CG1 4.44Å; L7-I11 HydrophobicContact CG-CD1 3.9Å; L7-I11 VanDerWaalsContact O-CG1 3.27Å; L7-I11 WeakPolarHBondContact O-CG1 3.33Å; L7-I11 PolarHBondContact O-N 3.46Å; L8-I11 PolarHBondContact O-N 3.48Å; I11-I13 PolarHBondContact O-N 3.45Å; I11-I14 PolarHBondContact O-N 3.34Å; I11-T15 VanDerWaalsContact O-CB 3.31Å; I11-T15 WeakPolarHBondContact O-CB 3.48Å; I11-T15 PolarHBondContact O-N 2.9Å; I11-T15 PolarHBondContact O-OG1 3.45Å
12S93.9Very high93Very high72 Ų7297 Ų9750%0.50352%0.517SS..Hα-helixtrans-62-42.2177.4-172.10000111.9L8 S9 L10 T16L8-S12 WeakPolarHBondContact O-CB 3.41Å; L8-S12 PolarHBondContact O-N 2.96Å; S9-S12 PolarHBondContact O-N 3.27Å; L10-S12 VanDerWaalsContact C-N 3.33Å; L10-S12 PolarHBondContact O-N 2.95Å; S12-T16 WeakPolarHBondContact O-CB 3.34Å; S12-T16 PolarHBondContact O-N 2.72Å; S12-T16 PolarHBondContact O-OG1 2.96Å
13I94.8Very high93.3Very high112 Ų11298.3 Ų98.357%0.57452%0.517SS*.Hα-helixtrans-63.9-47.7177.5-69.7163.7000110.5S9 L10 I11 T16 L17S9-I13 WeakPolarHBondContact O-CD1 3.31Å; S9-I13 VanDerWaalsContact O-CG1 3.23Å; S9-I13 WeakPolarHBondContact O-CG1 3.36Å; S9-I13 PolarHBondContact O-N 2.87Å; L10-I13 PolarHBondContact O-N 2.73Å; I11-I13 PolarHBondContact O-N 3.45Å; I13-T16 PolarHBondContact O-N 3.33Å; I13-L17 WeakPolarHBondContact O-CB 3.34Å; I13-L17 PolarHBondContact O-N 2.94Å
14I95.3Very high93.6Very high91 Ų9196.1 Ų96.147%0.46751%0.506SS..Hα-helixtrans-62.4-46.7179.3-67.2167.6000110.5L10 I11 T16 L17 V18L10-I14 HydrophobicContact CD1-CD1 4.14Å; L10-I14 HydrophobicContact CD1-CG1 4.49Å; L10-I14 HydrophobicContact CG-CD1 3.94Å; L10-I14 VanDerWaalsContact O-CG1 3.31Å; L10-I14 WeakPolarHBondContact O-CG1 3.23Å; L10-I14 PolarHBondContact O-N 3.39Å; I11-I14 PolarHBondContact O-N 3.34Å; I14-T16 VanDerWaalsContact C-N 3.33Å; I14-T16 PolarHBondContact O-N 2.94Å; I14-L17 PolarHBondContact O-N 2.88Å; I14-V18 HydrophobicContact CG2-CG2 4.45Å; I14-V18 WeakPolarHBondContact O-CG2 3.42Å; I14-V18 PolarHBondContact O-N 3.39Å
15T95.5Very high93.8Very high69 Ų6991.5 Ų91.542%0.42349%0.486SS..Hα-helixtrans-61.4-44.1179.9-54.90000111I11 L17 V18 I19I11-T15 VanDerWaalsContact O-CB 3.31Å; I11-T15 WeakPolarHBondContact O-CB 3.48Å; I11-T15 PolarHBondContact O-N 2.9Å; I11-T15 PolarHBondContact O-OG1 3.45Å; T15-L17 PolarHBondContact O-N 3.32Å; T15-V18 PolarHBondContact O-N 2.98Å; T15-I19 HydrophobicContact CG2-CD1 3.97Å; T15-I19 VanDerWaalsContact O-CG1 3.32Å; T15-I19 WeakPolarHBondContact O-CG1 3.26Å; T15-I19 PolarHBondContact O-N 3.44Å
16T95.5Very high94.1Very high78 Ų7890.9 Ų90.948%0.47948%0.482SS..Hα-helixtrans-61.6-44.4176.3-55.80000111.1S12 I13 I14 V18 I19 V20S12-T16 WeakPolarHBondContact O-CB 3.34Å; S12-T16 PolarHBondContact O-N 2.72Å; S12-T16 PolarHBondContact O-OG1 2.96Å; I13-T16 PolarHBondContact O-N 3.33Å; I14-T16 VanDerWaalsContact C-N 3.33Å; I14-T16 PolarHBondContact O-N 2.94Å; T16-V18 VanDerWaalsContact C-N 3.34Å; T16-V18 PolarHBondContact O-N 2.86Å; T16-I19 PolarHBondContact O-N 3.48Å; T16-V20 HydrophobicContact CG2-CG2 4.31Å; T16-V20 WeakPolarHBondContact O-CB 3.43Å; T16-V20 VanDerWaalsContact O-CG2 3.26Å; T16-V20 WeakPolarHBondContact O-CG2 3.32Å; T16-V20 PolarHBondContact O-N 3.21Å
17L95.1Very high94.2Very high113 Ų11386.7 Ų86.759%0.59247%0.474SS*.Hα-helixtrans-62.7-40.2178.6-175.567000112.2I13 I14 T15 T21I13-L17 WeakPolarHBondContact O-CB 3.34Å; I13-L17 PolarHBondContact O-N 2.94Å; I14-L17 PolarHBondContact O-N 2.88Å; T15-L17 PolarHBondContact O-N 3.32Å; L17-T21 VanDerWaalsContact O-CB 3.25Å; L17-T21 WeakPolarHBondContact O-CB 3.31Å; L17-T21 PolarHBondContact O-N 3.43Å; L17-T21 PolarHBondContact O-OG1 3.23Å
18V95.7Very high94.4Very high90 Ų9083 Ų8355%0.54545%0.454SS..Hα-helixtrans-64.6-46.9176.2170.60000110.8I14 T15 T16 T21 F22I14-V18 HydrophobicContact CG2-CG2 4.45Å; I14-V18 WeakPolarHBondContact O-CG2 3.42Å; I14-V18 PolarHBondContact O-N 3.39Å; T15-V18 PolarHBondContact O-N 2.98Å; T16-V18 VanDerWaalsContact C-N 3.34Å; T16-V18 PolarHBondContact O-N 2.86Å; V18-T21 PolarHBondContact O-N 3.33Å; V18-F22 WeakPolarHBondContact O-CB 3.25Å; V18-F22 PolarHBondContact O-N 2.72Å
19I96.3Very high94.5Very high93 Ų9382.8 Ų82.848%0.47745%0.446SS..Hα-helixtrans-61.4-47.9178.1-68.4167.5000110.6T15 T16 T21 F22 I23T15-I19 HydrophobicContact CG2-CD1 3.97Å; T15-I19 VanDerWaalsContact O-CG1 3.32Å; T15-I19 WeakPolarHBondContact O-CG1 3.26Å; T15-I19 PolarHBondContact O-N 3.44Å; T16-I19 PolarHBondContact O-N 3.48Å; I19-T21 VanDerWaalsContact C-N 3.32Å; I19-T21 PolarHBondContact O-N 2.91Å; I19-F22 PolarHBondContact O-N 2.88Å; I19-I23 HydrophobicContact CG2-CD1 3.77Å; I19-I23 HydrophobicContact CG2-CG1 4.44Å; I19-I23 VanDerWaalsContact O-CG1 3.31Å; I19-I23 WeakPolarHBondContact O-CG1 3.37Å; I19-I23 PolarHBondContact O-N 3.28Å
20V95.8Very high94.7Very high68 Ų6886.7 Ų86.741%0.41246%0.463SS..Hα-helixtrans-60.4-44.7178.5169.60000110.5T16 F22 I23 L24T16-V20 HydrophobicContact CG2-CG2 4.31Å; T16-V20 WeakPolarHBondContact O-CB 3.43Å; T16-V20 VanDerWaalsContact O-CG2 3.26Å; T16-V20 WeakPolarHBondContact O-CG2 3.32Å; T16-V20 PolarHBondContact O-N 3.21Å; V20-F22 PolarHBondContact O-N 3.49Å; V20-I23 PolarHBondContact O-N 2.96Å; V20-L24 HydrophobicContact CG1-CD1 3.93Å; V20-L24 HydrophobicContact CG1-CG 4.35Å; V20-L24 WeakPolarHBondContact O-CB 3.25Å; V20-L24 VanDerWaalsContact O-CG 3.25Å; V20-L24 WeakPolarHBondContact O-CG 3.44Å; V20-L24 PolarHBondContact O-N 2.9Å
21T93Very high94.6Very high64 Ų6486.9 Ų86.939%0.39347%0.468SS..Hα-helixtrans-62.1-44.4177.9-60.20000110.9L17 V18 I19 I23 L24 L25L17-T21 VanDerWaalsContact O-CB 3.25Å; L17-T21 WeakPolarHBondContact O-CB 3.31Å; L17-T21 PolarHBondContact O-N 3.43Å; L17-T21 PolarHBondContact O-OG1 3.23Å; V18-T21 PolarHBondContact O-N 3.33Å; I19-T21 VanDerWaalsContact C-N 3.32Å; I19-T21 PolarHBondContact O-N 2.91Å; T21-I23 PolarHBondContact O-N 3.24Å; T21-L24 PolarHBondContact O-N 3.43Å; T21-L25 HydrophobicContact CG2-CD1 4.36Å; T21-L25 HydrophobicContact CG2-CG 4.47Å; T21-L25 VanDerWaalsContact O-CG 3.31Å; T21-L25 WeakPolarHBondContact O-CG 3.31Å; T21-L25 PolarHBondContact O-N 3.49Å
22F94.7Very high94.6Very high132 Ų13283.4 Ų83.458%0.57945%0.451SS*.Hα-helixtrans-61.6-44177.3-173.4-108.5000112.2V18 I19 V20 L24 L25 I26V18-F22 WeakPolarHBondContact O-CB 3.25Å; V18-F22 PolarHBondContact O-N 2.72Å; I19-F22 PolarHBondContact O-N 2.88Å; V20-F22 PolarHBondContact O-N 3.49Å; F22-L24 PolarHBondContact O-N 3.24Å; F22-L25 PolarHBondContact O-N 2.91Å; F22-I26 HydrophobicContact CD1-CD1 3.71Å; F22-I26 HydrophobicContact CE1-CD1 3.29Å; F22-I26 HydrophobicContact CE1-CG1 4.31Å; F22-I26 HydrophobicContact CE2-CD1 4.47Å; F22-I26 HydrophobicContact CG-CD1 4.47Å; F22-I26 HydrophobicContact CZ-CD1 3.72Å; F22-I26 HydrophobicContact CZ-CG1 4.4Å; F22-I26 WeakPolarHBondContact O-CG1 3.46Å; F22-I26 PolarHBondContact O-N 3.33Å
23I95.4Very high94.6Very high91 Ų9186 Ų8647%0.46746%0.459SS..Hα-helixtrans-60.9-45.3174.4-67.4167.6000110.5I19 V20 T21 L25 I26 V27I19-I23 HydrophobicContact CG2-CD1 3.77Å; I19-I23 HydrophobicContact CG2-CG1 4.44Å; I19-I23 VanDerWaalsContact O-CG1 3.31Å; I19-I23 WeakPolarHBondContact O-CG1 3.37Å; I19-I23 PolarHBondContact O-N 3.28Å; V20-I23 PolarHBondContact O-N 2.96Å; T21-I23 PolarHBondContact O-N 3.24Å; I23-L25 VanDerWaalsContact C-N 3.31Å; I23-L25 PolarHBondContact O-N 2.86Å; I23-I26 PolarHBondContact O-N 3.18Å; I23-V27 HydrophobicContact CG2-CG2 4.27Å; I23-V27 VanDerWaalsContact O-CG2 3.31Å; I23-V27 WeakPolarHBondContact O-CG2 3.31Å; I23-V27 PolarHBondContact O-N 3.47Å
24L93.7Very high94.6Very high107 Ų10782.9 Ų82.956%0.5645%0.446SS*.Hα-helixtrans-61.4-39.1177.8-72172.4000112.1V20 T21 F22 M28V20-L24 HydrophobicContact CG1-CD1 3.93Å; V20-L24 HydrophobicContact CG1-CG 4.35Å; V20-L24 WeakPolarHBondContact O-CB 3.25Å; V20-L24 VanDerWaalsContact O-CG 3.25Å; V20-L24 WeakPolarHBondContact O-CG 3.44Å; V20-L24 PolarHBondContact O-N 2.9Å; T21-L24 PolarHBondContact O-N 3.43Å; F22-L24 PolarHBondContact O-N 3.24Å; L24-M28 WeakPolarHBondContact O-CB 3.22Å; L24-M28 PolarHBondContact O-N 2.85Å
25L93.5Very high94.5Very high51 Ų5183.7 Ų83.727%0.26744%0.444SS..Hα-helixtrans-67.4-40.4175.8-67.6179.5000112.1T21 F22 I23 M28 Y29 L313 L317T21-L25 HydrophobicContact CG2-CD1 4.36Å; T21-L25 HydrophobicContact CG2-CG 4.47Å; T21-L25 VanDerWaalsContact O-CG 3.31Å; T21-L25 WeakPolarHBondContact O-CG 3.31Å; T21-L25 PolarHBondContact O-N 3.49Å; F22-L25 PolarHBondContact O-N 2.91Å; I23-L25 VanDerWaalsContact C-N 3.31Å; I23-L25 PolarHBondContact O-N 2.86Å; L25-M28 HydrophobicContact CD2-CE 4.07Å; L25-M28 PolarHBondContact O-N 2.96Å; L25-Y29 WeakPolarHBondContact O-CB 3.39Å; L25-Y29 PolarHBondContact O-N 2.86Å; L25-L313 HydrophobicContact CD2-CD1 4.37Å; L25-L313 HydrophobicContact CD2-CD2 4.48Å; L25-L317 HydrophobicContact CB-CD1 4.44Å; L25-L317 HydrophobicContact CD2-CD1 4.04Å
26I94.1Very high94.4Very high73 Ų7381.2 Ų81.237%0.37443%0.43SS..Hα-helixtrans-62.6-49.9174-71.7172.2000110.4F22 I23 M28 Y29 L30F22-I26 HydrophobicContact CD1-CD1 3.71Å; F22-I26 HydrophobicContact CE1-CD1 3.29Å; F22-I26 HydrophobicContact CE1-CG1 4.31Å; F22-I26 HydrophobicContact CE2-CD1 4.47Å; F22-I26 HydrophobicContact CG-CD1 4.47Å; F22-I26 HydrophobicContact CZ-CD1 3.72Å; F22-I26 HydrophobicContact CZ-CG1 4.4Å; F22-I26 WeakPolarHBondContact O-CG1 3.46Å; F22-I26 PolarHBondContact O-N 3.33Å; I23-I26 PolarHBondContact O-N 3.18Å; I26-M28 VanDerWaalsContact C-N 3.29Å; I26-M28 PolarHBondContact O-N 3.28Å; I26-Y29 PolarHBondContact O-N 3.45Å; I26-L30 HydrophobicContact CG2-CD1 3.67Å; I26-L30 HydrophobicContact CG2-CG 4.22Å; I26-L30 WeakPolarHBondContact O-CB 3.13Å; I26-L30 VanDerWaalsContact O-CG 3.3Å; I26-L30 WeakPolarHBondContact O-CG 3.31Å; I26-L30 PolarHBondContact O-N 3.46Å
27V94.5Very high94.1Very high74 Ų7482.8 Ų82.845%0.44844%0.435SS..Hα-helixtrans-58.5-45.3178.2171.10000110I23 Y29 L30 T31I23-V27 HydrophobicContact CG2-CG2 4.27Å; I23-V27 VanDerWaalsContact O-CG2 3.31Å; I23-V27 WeakPolarHBondContact O-CG2 3.31Å; I23-V27 PolarHBondContact O-N 3.47Å; V27-Y29 PolarHBondContact O-N 3.34Å; V27-L30 PolarHBondContact O-N 3.18Å; V27-T31 HydrophobicContact CG1-CG2 4.21Å; V27-T31 WeakPolarHBondContact O-CB 3.45Å; V27-T31 VanDerWaalsContact O-CG2 3.28Å; V27-T31 WeakPolarHBondContact O-CG2 3.35Å; V27-T31 PolarHBondContact O-N 3.27Å; V27-T31 PolarHBondContact O-OG1 2.94Å
28M94Very high93.8Very high22 Ų2279.9 Ų79.911%0.10842%0.42CS..Hα-helixtrans-60-45.3176.9-176.2-167.167.500111.9L24 L25 I26 T31 T32 M310 L313 R314 L317L24-M28 WeakPolarHBondContact O-CB 3.22Å; L24-M28 PolarHBondContact O-N 2.85Å; L25-M28 HydrophobicContact CD2-CE 4.07Å; L25-M28 PolarHBondContact O-N 2.96Å; I26-M28 VanDerWaalsContact C-N 3.29Å; I26-M28 PolarHBondContact O-N 3.28Å; M28-T31 PolarHBondContact O-N 3.42Å; M28-T31 PolarHBondContact O-OG1 3.41Å; M28-T32 VanDerWaalsContact O-CB 3.24Å; M28-T32 WeakPolarHBondContact O-CB 3.34Å; M28-T32 PolarHBondContact O-N 2.89Å; M28-T32 VanDerWaalsContact O-N 3.07Å; M28-T32 PolarHBondContact O-OG1 2.95Å; M28-M310 HydrophobicContact CG-CE 3.67Å; M28-M310 HydrophobicContact SD-CE 3.32Å; M28-M310 WeakPolarHBondContact SD-CE 3.37Å; M28-M310 HydrophobicContact SD-SD 3.95Å; M28-L313 HydrophobicContact CE-CB 3.98Å; M28-L313 HydrophobicContact SD-CB 4.28Å; M28-L313 HydrophobicContact SD-CD1 4.43Å; M28-R314 HydrophobicContact CE-CG 4.46Å; M28-R314 HydrophobicContact SD-CG 4.31Å; M28-L317 HydrophobicContact CE-CD1 3.41Å; M28-L317 VanDerWaalsContact CE-CD1 3.41Å
29Y94.3Very high93.4Very high108 Ų10879.3 Ų79.342%0.42442%0.42SS..Hα-helixtrans-61.6-46.2177.7177.2-90.9000111.4L25 I26 V27 T31 L317 A319L25-Y29 WeakPolarHBondContact O-CB 3.39Å; L25-Y29 PolarHBondContact O-N 2.86Å; I26-Y29 PolarHBondContact O-N 3.45Å; V27-Y29 PolarHBondContact O-N 3.34Å; Y29-T31 VanDerWaalsContact C-N 3.34Å; Y29-T31 PolarHBondContact O-N 2.9Å; Y29-L317 WeakPolarHBondContact CE2-O 3.49Å; Y29-A319 HydrophobicContact CD2-CB 3.76Å; Y29-A319 HydrophobicContact CE2-CB 4.37Å
30L95.1Very high93.1Very high131 Ų13178.2 Ų78.269%0.68641%0.41SS*.Hα-helixtrans-72.2-23.9-177.9-65.8176.2000114I26 V27I26-L30 HydrophobicContact CG2-CD1 3.67Å; I26-L30 HydrophobicContact CG2-CG 4.22Å; I26-L30 WeakPolarHBondContact O-CB 3.13Å; I26-L30 VanDerWaalsContact O-CG 3.3Å; I26-L30 WeakPolarHBondContact O-CG 3.31Å; I26-L30 PolarHBondContact O-N 3.46Å; V27-L30 PolarHBondContact O-N 3.18Å
31T93Very high92.8Very high101 Ų10176.5 Ų76.562%0.6240%0.401SS*.Hα-helixtrans-101.3-4.6-178.856.60000113.7V27 M28 Y29V27-T31 HydrophobicContact CG1-CG2 4.21Å; V27-T31 WeakPolarHBondContact O-CB 3.45Å; V27-T31 VanDerWaalsContact O-CG2 3.28Å; V27-T31 WeakPolarHBondContact O-CG2 3.35Å; V27-T31 PolarHBondContact O-N 3.27Å; V27-T31 PolarHBondContact O-OG1 2.94Å; M28-T31 PolarHBondContact O-N 3.42Å; M28-T31 PolarHBondContact O-OG1 3.41Å; Y29-T31 VanDerWaalsContact C-N 3.34Å; Y29-T31 PolarHBondContact O-N 2.9Å
32T94.6Very high92.5Very high12 Ų1278 Ų787%0.07441%0.414CS..SBendtrans-85.8124.4178.5-68.80000109.5M28 R314 A319 W320M28-T32 VanDerWaalsContact O-CB 3.24Å; M28-T32 WeakPolarHBondContact O-CB 3.34Å; M28-T32 PolarHBondContact O-N 2.89Å; M28-T32 VanDerWaalsContact O-N 3.07Å; M28-T32 PolarHBondContact O-OG1 2.95Å; T32-R314 HydrophobicContact CG2-CG 4.23Å; T32-R314 PolarHBondContact OG1-NE 3.31Å; T32-R314 VanDerWaalsContact OG1-NE 3.08Å; T32-A319 HydrophobicContact CG2-CB 4.05Å; T32-W320 HydrophobicContact CG2-CG 4.34Å
33D93.5Very high92.1Very high125 Ų12575.1 Ų75.167%0.66841%0.407SS*.  trans-62.9124.8167.7-66.3-47.6000109.4Y35D33-Y35 VanDerWaalsContact C-N 3.29Å; D33-Y35 PolarHBondContact O-N 2.66Å
34P93.6Very high91.8Very high48 Ų4871.2 Ų71.231%0.31239%0.387SS..SBendtrans-74.3-19.7-171.727.2-34.6000114.2H259 A319 K321P34-H259 PolarHBondContact O-NE2 3.16Å; P34-A319 VanDerWaalsContact CA-O 3.24Å; P34-A319 WeakPolarHBondContact CA-O 3.28Å; P34-K321 HydrophobicContact CB-CB 4.39Å; P34-K321 HydrophobicContact CB-CD 4.04Å; P34-K321 HydrophobicContact CB-CG 4.05Å; P34-K321 WeakPolarHBondContact O-CA 3.29Å; P34-K321 WeakPolarHBondContact O-CB 3.39Å; P34-K321 PolarHBondContact O-N 2.81Å
35Y93.9Very high91.6Very high107 Ų10769.2 Ų69.242%0.4238%0.375SS..SBendtrans-122.9152179.5-60.9-69000109.5D33 K321 D323D33-Y35 VanDerWaalsContact C-N 3.29Å; D33-Y35 PolarHBondContact O-N 2.66Å; Y35-K321 HydrophobicContact CD1-CB 4.17Å; Y35-K321 HydrophobicContact CE1-CB 3.64Å; Y35-D323 HydrophobicContact CD1-CB 4.14Å; Y35-D323 HydrophobicContact CE1-CB 4.19Å
36P92.9Very high91.5Very high18 Ų1867.9 Ų67.912%0.11737%0.369CS..  trans-66.2143.9179.128.3-34000110.8L38 H256 L258 H259P36-L38 HydrophobicContact CB-CD2 4.27Å; P36-L38 HydrophobicContact CG-CD2 4.24Å; P36-L38 HydrophobicContact CG-CG 4.37Å; P36-L38 PolarHBondContact O-N 3.39Å; P36-L38 VanDerWaalsContact O-N 3.1Å; P36-H256 WeakPolarHBondContact CG-O 3.42Å; P36-L258 VanDerWaalsContact CB-O 3.32Å; P36-L258 WeakPolarHBondContact CB-O 3.46Å; P36-H259 WeakPolarHBondContact CD-NE2 2.96Å
37N89.9Confident91.3Very high110 Ų11065.4 Ų65.459%0.58836%0.356SS*.  trans-76.2102.3173.9-174.1-8.1000110S39N37-S39 VanDerWaalsContact OD1-CB 3.28Å; N37-S39 WeakPolarHBondContact OD1-CB 3.3Å; N37-S39 PolarHBondContact OD1-N 3.48Å; N37-S39 PolarHBondContact OD1-OG 3.43Å
38L89.5Confident90.8Very high53 Ų5364.5 Ų64.528%0.27735%0.345SS..  trans-95.78.3176.9-55.7-176.1000113.4P36 L155P36-L38 HydrophobicContact CB-CD2 4.27Å; P36-L38 HydrophobicContact CG-CD2 4.24Å; P36-L38 HydrophobicContact CG-CG 4.37Å; P36-L38 PolarHBondContact O-N 3.39Å; P36-L38 VanDerWaalsContact O-N 3.1Å; L38-L155 HydrophobicContact CD2-CD1 4.11Å
39S87.1Confident90.5Very high78 Ų7863.8 Ų63.855%0.54534%0.341SS..  trans-63142.6179.3640000111.9N37N37-S39 VanDerWaalsContact OD1-CB 3.28Å; N37-S39 WeakPolarHBondContact OD1-CB 3.3Å; N37-S39 PolarHBondContact OD1-N 3.48Å; N37-S39 PolarHBondContact OD1-OG 3.43Å
40R89.3Confident89.8Confident69 Ų6959 Ų5926%0.2632%0.324SS..  trans-126.6141.8179.5-60.5178.6-168.5-178.4-1.3108.2E44 E45 M152 S156R40-E44 HydrophobicContact CB-CB 4.07Å; R40-E45 HydrophobicContact CB-CG 3.69Å; R40-M152 HydrophobicContact CG-SD 4.08Å; R40-M152 PolarHBondContact NE-SD 3.13Å; R40-M152 VanDerWaalsContact NE-SD 3.37Å; R40-S156 PolarHBondContact NH1-OG 3.46Å
41S89.6Confident89.2Confident33 Ų3358.7 Ų58.723%0.23132%0.323CS..  trans-73.2166.6165.661.70000110.5T43 E44 E45 D141S41-T43 PolarHBondContact O-N 3.3Å; S41-T43 PolarHBondContact OG-OG1 3.34Å; S41-E44 PolarHBondContact N-OE2 3.49Å; S41-E44 PolarHBondContact O-N 2.92Å; S41-E44 VanDerWaalsContact O-N 3.08Å; S41-E44 WeakPolarHBondContact OG-CB 3.28Å; S41-E44 VanDerWaalsContact OG-CD 3.24Å; S41-E44 WeakPolarHBondContact OG-CG 3.22Å; S41-E44 PolarHBondContact OG-N 3.47Å; S41-E45 WeakPolarHBondContact O-CG 3.48Å; S41-E45 PolarHBondContact O-N 3.28Å; S41-D141 WeakPolarHBondContact CB-OD2 3.48Å; S41-D141 PolarHBondContact OG-OD2 3.5Å
42S86Confident88.7Confident95 Ų9559.8 Ų59.866%0.66432%0.319SS*.THydrogen-bonded Turntrans-60.4-31.1178.250.70000113.1C46S42-C46 PolarHBondContact O-SG 2.95Å
43T85.9Confident88Confident72 Ų7263.8 Ų63.844%0.44235%0.346SS..THydrogen-bonded Turntrans-70.4-38.8174.440.90000111.7S41 E45 C46 D141S41-T43 PolarHBondContact O-N 3.3Å; S41-T43 PolarHBondContact OG-OG1 3.34Å; T43-E45 VanDerWaalsContact C-N 3.34Å; T43-C46 PolarHBondContact O-N 3.14Å; T43-D141 PolarHBondContact OG1-OD1 3.31Å
44E90.8Very high87.6Confident8 Ų862.5 Ų62.54%0.03734%0.336CS..THydrogen-bonded Turntrans-76.5-20179.1-68.9173.1169.100113.8R40 S41 C46 L140 D141 R144R40-E44 HydrophobicContact CB-CB 4.07Å; S41-E44 PolarHBondContact N-OE2 3.49Å; S41-E44 PolarHBondContact O-N 2.92Å; S41-E44 VanDerWaalsContact O-N 3.08Å; S41-E44 WeakPolarHBondContact OG-CB 3.28Å; S41-E44 VanDerWaalsContact OG-CD 3.24Å; S41-E44 WeakPolarHBondContact OG-CG 3.22Å; S41-E44 PolarHBondContact OG-N 3.47Å; E44-C46 PolarHBondContact O-N 2.85Å; E44-L140 HydrophobicContact CG-CD2 4.44Å; E44-L140 WeakPolarHBondContact OE1-CA 3.42Å; E44-D141 PolarHBondContact OE1-N 2.92Å; E44-R144 IonicContact OE1-CZ 3.58Å; E44-R144 IonicContact OE1-NE 3.98Å; E44-R144 IonicContact OE1-NH2 3.74Å; E44-R144 PolarHBondContact OE1-NH2 3.21Å; E44-R144 IonicContact OE2-CZ 2.8Å; E44-R144 IonicContact OE2-NH1 3.92Å; E44-R144 PolarHBondContact OE2-NH1 3.25Å; E44-R144 IonicContact OE2-NH2 3.47Å; E44-R144 PolarHBondContact OE2-NH2 2.86Å
45E89.2Confident87.2Confident66 Ų6666.7 Ų66.731%0.30835%0.347SS..THydrogen-bonded Turntrans-77.70.5170.3-70.1-169.2161.600113.2R40 S41 T43 K57 L58R40-E45 HydrophobicContact CB-CG 3.69Å; S41-E45 WeakPolarHBondContact O-CG 3.48Å; S41-E45 PolarHBondContact O-N 3.28Å; T43-E45 VanDerWaalsContact C-N 3.34Å; E45-K57 CarbonylContact O-C 3.52Å; E45-K57 WeakPolarHBondContact O-CA 3.44Å; E45-K57 WeakPolarHBondContact OE2-CE 3.17Å; E45-K57 IonicContact OE2-NZ 2.75Å; E45-K57 PolarHBondContact OE2-NZ 3.36Å; E45-L58 WeakPolarHBondContact O-CB 3.5Å; E45-L58 WeakPolarHBondContact O-CG 3.5Å; E45-L58 PolarHBondContact O-N 2.88Å
46C91Very high86.9Confident22 Ų2263.2 Ų63.215%0.14934%0.335CS..EExtended strand (participates in β ladder)trans-121.9157.5-176.3-59.10000112.9S42 T43 E44 Y55 I56S42-C46 PolarHBondContact O-SG 2.95Å; T43-C46 PolarHBondContact O-N 3.14Å; E44-C46 PolarHBondContact O-N 2.85Å; C46-Y55 HydrophobicContact CB-CD1 4.22Å; C46-I56 CarbonylContact C-O 3.42Å; C46-I56 WeakPolarHBondContact CA-O 3.46Å; C46-I56 WeakPolarHBondContact CB-O 3.35Å
47F89.6Confident86.6Confident22 Ų2267.9 Ų67.910%0.09635%0.353CS..EExtended strand (participates in β ladder)trans-120.9153.4162.667.3-82.8000109.3D49 Y55 I56 L58 R136 V137 I138F47-D49 HydrophobicContact CE2-CB 4.46Å; F47-Y55 CarbonylContact O-C 3.46Å; F47-Y55 WeakPolarHBondContact O-CA 3.18Å; F47-I56 HydrophobicContact CD1-CB 4.49Å; F47-I56 VanDerWaalsContact CD1-O 3.31Å; F47-I56 WeakPolarHBondContact CD1-O 3.26Å; F47-I56 HydrophobicContact CE1-CB 3.95Å; F47-I56 HydrophobicContact CE1-CG2 3.97Å; F47-I56 HydrophobicContact CE2-CB 4.31Å; F47-I56 HydrophobicContact CZ-CB 3.85Å; F47-I56 HydrophobicContact CZ-CD1 4.47Å; F47-I56 HydrophobicContact CZ-CG2 3.97Å; F47-I56 PolarHBondContact N-O 3.12Å; F47-I56 PolarHBondContact O-N 2.87Å; F47-L58 HydrophobicContact CB-CD2 4.35Å; F47-L58 HydrophobicContact CD1-CD2 3.47Å; F47-L58 VanDerWaalsContact CD1-CD2 3.47Å; F47-L58 HydrophobicContact CD1-CG 4.01Å; F47-L58 HydrophobicContact CE1-CD2 4.19Å; F47-L58 HydrophobicContact CG-CD2 4.29Å; F47-R136 HydrophobicContact CB-CB 4.25Å; F47-R136 HydrophobicContact CD2-CB 4.27Å; F47-R136 HydrophobicContact CD2-CG 3.87Å; F47-R136 HydrophobicContact CE2-CG 4.22Å; F47-R136 HydrophobicContact CG-CB 4.32Å; F47-R136 HydrophobicContact CG-CG 4.23Å; F47-V137 WeakPolarHBondContact CA-O 3.19Å; F47-V137 WeakPolarHBondContact CB-O 3.39Å; F47-I138 HydrophobicContact CB-CG1 4.49Å
48Y84.6Confident86.5Confident55 Ų5563.5 Ų63.522%0.21633%0.33CS..EExtended strand (participates in β ladder)trans-80.2125.4177.2-178.6-106.2000111.3P50 Y55 H124Y48-P50 HydrophobicContact CD1-CB 4.42Å; Y48-P50 HydrophobicContact CE1-CB 3.95Å; Y48-Y55 HydrophobicContact CD2-CD2 4.19Å; Y48-Y55 HydrophobicContact CD2-CE1 4.35Å; Y48-Y55 AromaticContact CD2-CE2 3.91Å; Y48-Y55 HydrophobicContact CD2-CE2 3.91Å; Y48-Y55 AromaticContact CD2-CZ 4Å; Y48-H124 WeakPolarHBondContact CB-CE1 3.19Å; Y48-H124 AromaticContact CD1-CE1 3.82Å; Y48-H124 AromaticContact CD1-ND1 3.37Å; Y48-H124 WeakPolarHBondContact CD1-ND1 3.49Å; Y48-H124 AromaticContact CG-CE1 3.69Å; Y48-H124 AromaticContact CG-ND1 3.74Å
49D86.2Confident85.9Confident6 Ų670 Ų703%0.03236%0.356CS..EExtended strand (participates in β ladder)trans-98.9108.9171.5-172.1-6.8000109.6F47 D51 K52 C53 E54 I56 S132F47-D49 HydrophobicContact CE2-CB 4.46Å; D49-D51 VanDerWaalsContact C-N 3.29Å; D49-D51 PolarHBondContact O-N 3.48Å; D49-D51 PolarHBondContact OD1-N 3.46Å; D49-K52 HydrophobicContact CB-CB 4.47Å; D49-K52 WeakPolarHBondContact OD2-CE 3.42Å; D49-K52 IonicContact OD2-NZ 3.89Å; D49-C53 WeakPolarHBondContact O-CA 3.3Å; D49-C53 PolarHBondContact O-N 2.64Å; D49-E54 PolarHBondContact N-O 2.76Å; D49-E54 PolarHBondContact O-N 3.07Å; D49-I56 HydrophobicContact CB-CD1 3.43Å; D49-I56 VanDerWaalsContact CB-CD1 3.43Å; D49-I56 HydrophobicContact CB-CG1 3.83Å; D49-I56 WeakPolarHBondContact OD2-CD1 3.19Å; D49-S132 VanDerWaalsContact CG-OG 3.31Å; D49-S132 PolarHBondContact OD1-OG 3.46Å
50P81.1Confident85.2Confident9 Ų967.3 Ų67.36%0.05833%0.334CS..THydrogen-bonded Turntrans-70.7-24.7-175.930.4-34.7000112.9Y48 K128Y48-P50 HydrophobicContact CD1-CB 4.42Å; Y48-P50 HydrophobicContact CE1-CB 3.95Å; P50-K128 HydrophobicContact CB-CB 3.83Å; P50-K128 HydrophobicContact CB-CG 4.08Å; P50-K128 HydrophobicContact CG-CB 4.41Å
51D82Confident84.9Confident123 Ų12364.5 Ų64.566%0.65833%0.327SS*.THydrogen-bonded Turntrans-75.2-35.3-177.9-64.7-36.1000111D49D49-D51 VanDerWaalsContact C-N 3.29Å; D49-D51 PolarHBondContact O-N 3.48Å; D49-D51 PolarHBondContact OD1-N 3.46Å
52K82.7Confident84.9Confident125 Ų12563.1 Ų63.154%0.54332%0.317SS..THydrogen-bonded Turntrans-94.5-8.1176.6-62.3-176.2-162.1152.30113.6D49 E54 I56D49-K52 HydrophobicContact CB-CB 4.47Å; D49-K52 WeakPolarHBondContact OD2-CE 3.42Å; D49-K52 IonicContact OD2-NZ 3.89Å; K52-E54 HydrophobicContact CB-CG 3.71Å; K52-E54 HydrophobicContact CD-CG 4.45Å; K52-E54 WeakPolarHBondContact CD-OE1 3.32Å; K52-E54 PolarHBondContact O-N 3.3Å; K52-I56 HydrophobicContact CD-CD1 4.1Å
53C79.6Confident85Confident96 Ų9662.7 Ų62.765%0.64931%0.311SS*.THydrogen-bonded Turntrans5334-172.5-61.20000113.5D49D49-C53 WeakPolarHBondContact O-CA 3.3Å; D49-C53 PolarHBondContact O-N 2.64Å
54E85.3Confident85.2Confident98 Ų9863 Ų6346%0.45831%0.307SS..EExtended strand (participates in β ladder)trans-134160.6-175.975.4-174.1175.400112.3D49 K52 I56D49-E54 PolarHBondContact N-O 2.76Å; D49-E54 PolarHBondContact O-N 3.07Å; K52-E54 HydrophobicContact CB-CG 3.71Å; K52-E54 HydrophobicContact CD-CG 4.45Å; K52-E54 WeakPolarHBondContact CD-OE1 3.32Å; K52-E54 PolarHBondContact O-N 3.3Å; E54-I56 HydrophobicContact CG-CG1 3.95Å
55Y84.5Confident85.3Confident136 Ų13673.3 Ų73.353%0.53335%0.346SS..EExtended strand (participates in β ladder)trans-88.9121.5171-77.4-89.9000109.8C46 F47 Y48C46-Y55 HydrophobicContact CB-CD1 4.22Å; F47-Y55 CarbonylContact O-C 3.46Å; F47-Y55 WeakPolarHBondContact O-CA 3.18Å; Y48-Y55 HydrophobicContact CD2-CD2 4.19Å; Y48-Y55 HydrophobicContact CD2-CE1 4.35Å; Y48-Y55 AromaticContact CD2-CE2 3.91Å; Y48-Y55 HydrophobicContact CD2-CE2 3.91Å; Y48-Y55 AromaticContact CD2-CZ 4Å
56I87.3Confident85.6Confident33 Ų3372.9 Ų72.917%0.16935%0.349CS..EExtended strand (participates in β ladder)trans-104.2132.3-178.5-58.5-174.3000109.7C46 F47 D49 K52 E54 L58C46-I56 CarbonylContact C-O 3.42Å; C46-I56 WeakPolarHBondContact CA-O 3.46Å; C46-I56 WeakPolarHBondContact CB-O 3.35Å; F47-I56 HydrophobicContact CD1-CB 4.49Å; F47-I56 VanDerWaalsContact CD1-O 3.31Å; F47-I56 WeakPolarHBondContact CD1-O 3.26Å; F47-I56 HydrophobicContact CE1-CB 3.95Å; F47-I56 HydrophobicContact CE1-CG2 3.97Å; F47-I56 HydrophobicContact CE2-CB 4.31Å; F47-I56 HydrophobicContact CZ-CB 3.85Å; F47-I56 HydrophobicContact CZ-CD1 4.47Å; F47-I56 HydrophobicContact CZ-CG2 3.97Å; F47-I56 PolarHBondContact N-O 3.12Å; F47-I56 PolarHBondContact O-N 2.87Å; D49-I56 HydrophobicContact CB-CD1 3.43Å; D49-I56 VanDerWaalsContact CB-CD1 3.43Å; D49-I56 HydrophobicContact CB-CG1 3.83Å; D49-I56 WeakPolarHBondContact OD2-CD1 3.19Å; K52-I56 HydrophobicContact CD-CD1 4.1Å; E54-I56 HydrophobicContact CG-CG1 3.95Å; I56-L58 PolarHBondContact O-N 2.93Å
57K88.4Confident85.8Confident116 Ų11677.8 Ų77.850%0.50437%0.37SS..EExtended strand (participates in β ladder)trans-60.8132.9175-171.5165.2-174.6152.40111.3E45 K59E45-K57 CarbonylContact O-C 3.52Å; E45-K57 WeakPolarHBondContact O-CA 3.44Å; E45-K57 WeakPolarHBondContact OE2-CE 3.17Å; E45-K57 IonicContact OE2-NZ 2.75Å; E45-K57 PolarHBondContact OE2-NZ 3.36Å; K57-K59 PolarHBondContact O-N 3.44Å; K57-K59 VanDerWaalsContact O-N 3.09Å
58L85.8Confident86.1Confident18 Ų1877.8 Ų77.89%0.09437%0.369CS..  trans-65.8104.8171.5-67.2160000108.6E45 F47 I56 I138 M152E45-L58 WeakPolarHBondContact O-CB 3.5Å; E45-L58 WeakPolarHBondContact O-CG 3.5Å; E45-L58 PolarHBondContact O-N 2.88Å; F47-L58 HydrophobicContact CB-CD2 4.35Å; F47-L58 HydrophobicContact CD1-CD2 3.47Å; F47-L58 VanDerWaalsContact CD1-CD2 3.47Å; F47-L58 HydrophobicContact CD1-CG 4.01Å; F47-L58 HydrophobicContact CE1-CD2 4.19Å; F47-L58 HydrophobicContact CG-CD2 4.29Å; I56-L58 PolarHBondContact O-N 2.93Å; L58-I138 HydrophobicContact CD1-CD1 3.74Å; L58-I138 HydrophobicContact CD1-CG1 4.15Å; L58-I138 HydrophobicContact CD2-CD1 4.24Å; L58-M152 HydrophobicContact CD1-CE 4.27Å
59K77.7Confident86.7Confident190 Ų19077.9 Ų77.983%0.82637%0.372SS*.  trans-89.3-4.3179.1-66.6-177.6-178.9178.90113.9K57K57-K59 PolarHBondContact O-N 3.44Å; K57-K59 VanDerWaalsContact O-N 3.09Å
60F72Confident87.3Confident21 Ų2177.6 Ų77.69%0.09237%0.37CS..  trans-125.3139.5-170.3-167.4-78.2000110.7E64 R65 E67 A157 R158F60-E64 HydrophobicContact CD2-CB 3.95Å; F60-E64 HydrophobicContact CD2-CG 4.37Å; F60-E64 HydrophobicContact CE1-CB 4.43Å; F60-E64 HydrophobicContact CE2-CB 3.5Å; F60-E64 HydrophobicContact CE2-CG 4.4Å; F60-E64 HydrophobicContact CZ-CB 3.78Å; F60-R65 WeakPolarHBondContact CE2-O 3.37Å; F60-R65 WeakPolarHBondContact CZ-O 3.39Å; F60-E67 HydrophobicContact CD2-CG 4.44Å; F60-E67 HydrophobicContact CE2-CG 3.91Å; F60-A157 WeakPolarHBondContact CD1-O 3.11Å; F60-A157 WeakPolarHBondContact CE1-O 3.4Å; F60-R158 HydrophobicContact CB-CG 4.12Å; F60-R158 HydrophobicContact CD1-CB 4.17Å; F60-R158 HydrophobicContact CD1-CG 3.5Å; F60-R158 VanDerWaalsContact CD1-CG 3.5Å; F60-R158 HydrophobicContact CD2-CG 4.08Å; F60-R158 HydrophobicContact CE1-CB 4.09Å; F60-R158 HydrophobicContact CE1-CG 3.91Å; F60-R158 HydrophobicContact CE2-CG 4.4Å; F60-R158 HydrophobicContact CG-CG 3.62Å; F60-R158 HydrophobicContact CZ-CB 4.37Å; F60-R158 HydrophobicContact CZ-CG 4.32Å
61G82.6Confident88.2Confident11 Ų1177.1 Ų77.111%0.11337%0.367CS..  trans-141-164.6173.700000112.4T63 E64 L155 R248G61-T63 PolarHBondContact O-N 3.48Å; G61-E64 VanDerWaalsContact CA-OE2 3.27Å; G61-E64 WeakPolarHBondContact CA-OE2 3.24Å; G61-E64 PolarHBondContact N-OE2 3.43Å; G61-L155 VanDerWaalsContact CA-O 3.25Å; G61-L155 WeakPolarHBondContact CA-O 3.24Å; G61-R248 PolarHBondContact O-NH2 3.22Å
62L90.8Very high89Confident4 Ų471.3 Ų71.32%0.02134%0.336CS..THydrogen-bonded Turntrans-78.1-5.5-177-67.3177.1000113.9M154 L155 L162 R248 A251 R252L62-M154 WeakPolarHBondContact CD1-O 3.31Å; L62-M154 WeakPolarHBondContact CD2-O 3.42Å; L62-M154 VanDerWaalsContact CG-O 3.26Å; L62-M154 WeakPolarHBondContact CG-O 3.07Å; L62-L155 HydrophobicContact CD1-CD2 3.95Å; L62-L162 HydrophobicContact CD2-CD1 4.32Å; L62-L162 HydrophobicContact CD2-CD2 3.55Å; L62-R248 HydrophobicContact CD2-CG 4.49Å; L62-A251 HydrophobicContact CD1-CB 4Å; L62-A251 WeakPolarHBondContact CD1-O 3.38Å; L62-A251 HydrophobicContact CD2-CB 4.47Å; L62-R252 HydrophobicContact CB-CB 3.91Å; L62-R252 HydrophobicContact CB-CG 4.04Å; L62-R252 WeakPolarHBondContact O-CD 3.45Å
63T87.7Confident89.7Confident85 Ų8565.3 Ų65.352%0.52131%0.31SS..THydrogen-bonded Turntrans-82.5-26.8-18038.80000113G61 Y326G61-T63 PolarHBondContact O-N 3.48Å; T63-Y326 HydrophobicContact CG2-CE1 4.36Å
64E89.6Confident90.6Very high80 Ų8060.8 Ų60.837%0.37428%0.279SS..SBendtrans-81.7167.3-179.5-63.168.3-138.300111.8F60 G61 R248F60-E64 HydrophobicContact CD2-CB 3.95Å; F60-E64 HydrophobicContact CD2-CG 4.37Å; F60-E64 HydrophobicContact CE1-CB 4.43Å; F60-E64 HydrophobicContact CE2-CB 3.5Å; F60-E64 HydrophobicContact CE2-CG 4.4Å; F60-E64 HydrophobicContact CZ-CB 3.78Å; G61-E64 VanDerWaalsContact CA-OE2 3.27Å; G61-E64 WeakPolarHBondContact CA-OE2 3.24Å; G61-E64 PolarHBondContact N-OE2 3.43Å; E64-R248 PolarHBondContact O-NE 3.44Å; E64-R248 VanDerWaalsContact O-NE 3.11Å; E64-R248 PolarHBondContact O-NH2 2.89Å
65R92.5Very high91.2Very high223 Ų22356.7 Ų56.784%0.84226%0.261SS*.PPolyproline II helixtrans-70.7142.1171.7-70.1-175.5179.9174.20.9110.1F60F60-R65 WeakPolarHBondContact CE2-O 3.37Å; F60-R65 WeakPolarHBondContact CZ-O 3.39Å
66P95.7Very high91.9Very high57 Ų5750.3 Ų50.337%0.3724%0.236SC..PPolyproline II helixtrans-63.6141.4-178.927.9-34.4000111.9R158 R160P66-R158 CarbonylContact C-O 3.6Å; P66-R158 VanDerWaalsContact CA-O 3.22Å; P66-R158 WeakPolarHBondContact CA-O 3.28Å; P66-R158 WeakPolarHBondContact CB-O 3.43Å; P66-R160 HydrophobicContact CB-CB 3.9Å; P66-R160 HydrophobicContact CG-CB 3.99Å; P66-R160 HydrophobicContact CG-CG 4.2Å
67E95.1Very high92.3Very high126 Ų12651.7 Ų51.759%0.58924%0.24SC*.SBendtrans-107.1-18.5175.2-65.5178.1169.300112.3F60 R158F60-E67 HydrophobicContact CD2-CG 4.44Å; F60-E67 HydrophobicContact CE2-CG 3.91Å; E67-R158 HydrophobicContact CB-CB 4.37Å; E67-R158 PolarHBondContact N-O 2.96Å; E67-R158 WeakPolarHBondContact OE2-CD 3.18Å
68K96.7Very high92.7Very high22 Ų2247.9 Ų47.910%0.09623%0.225CC..EExtended strand (participates in β ladder)trans-120.5158.2177.8-62.9-69.1-173.7162.60109.7E107 D133 R158 G159 R160K68-E107 HydrophobicContact CG-CB 4.5Å; K68-E107 HydrophobicContact CG-CG 4.41Å; K68-D133 IonicContact NZ-OD1 2.81Å; K68-D133 IonicContact NZ-OD2 3.17Å; K68-D133 PolarHBondContact NZ-OD2 2.86Å; K68-R158 HydrophobicContact CB-CB 4.41Å; K68-R158 HydrophobicContact CG-CB 4.09Å; K68-R158 PolarHBondContact N-O 3.36Å; K68-G159 CarbonylContact O-C 3.56Å; K68-G159 WeakPolarHBondContact O-CA 3.48Å; K68-R160 PolarHBondContact O-N 2.9Å
69E97.9Very high93.2Very high56 Ų5647.8 Ų47.826%0.26222%0.224SC..EExtended strand (participates in β ladder)trans-74.7-48.1173.9-174.664.3177.300110.8F104 T105 R160 I161E69-F104 HydrophobicContact CB-CD2 4.08Å; E69-F104 HydrophobicContact CB-CE2 4.32Å; E69-F104 HydrophobicContact CG-CD2 3.85Å; E69-F104 HydrophobicContact CG-CE2 4.11Å; E69-T105 WeakPolarHBondContact CA-O 3.5Å; E69-T105 VanDerWaalsContact CB-O 3.22Å; E69-T105 WeakPolarHBondContact CB-O 3.24Å; E69-T105 PolarHBondContact N-O 2.9Å; E69-T105 PolarHBondContact N-OG1 2.88Å; E69-R160 WeakPolarHBondContact O-CB 3.21Å; E69-R160 PolarHBondContact O-N 3.44Å; E69-R160 VanDerWaalsContact O-N 3.12Å; E69-R160 IonicContact OE1-CZ 3.33Å; E69-R160 IonicContact OE1-NE 2.66Å; E69-R160 PolarHBondContact OE1-NE 3.05Å; E69-R160 IonicContact OE1-NH2 2.59Å; E69-R160 PolarHBondContact OE1-NH2 3.29Å; E69-R160 WeakPolarHBondContact OE2-CD 3.34Å; E69-R160 IonicContact OE2-CZ 3.89Å; E69-R160 IonicContact OE2-NE 3.35Å; E69-R160 PolarHBondContact OE2-NE 3.48Å; E69-R160 IonicContact OE2-NH2 2.77Å; E69-I161 VanDerWaalsContact O-CG1 3.3Å; E69-I161 WeakPolarHBondContact O-CG1 3.35Å; E69-I161 PolarHBondContact O-N 3.3Å
70L98.7Very high94Very high0 Ų041 Ų410%020%0.198CC..EExtended strand (participates in β ladder)trans-125.2133.5-177.9175.966.6000111.9V72 L94 F104 T105 F106 E107 I161 L163 I176 L245L70-V72 HydrophobicContact CD1-CG2 4.39Å; L70-V72 HydrophobicContact CD2-CG2 3.74Å; L70-V72 HydrophobicContact CG-CG2 3.87Å; L70-L94 HydrophobicContact CD2-CD2 3.68Å; L70-F104 HydrophobicContact CB-CE2 3.99Å; L70-F104 HydrophobicContact CB-CZ 4.01Å; L70-F104 HydrophobicContact CD2-CE2 4.48Å; L70-F104 HydrophobicContact CD2-CZ 3.99Å; L70-T105 PolarHBondContact N-O 3.31Å; L70-T105 VanDerWaalsContact N-O 3.16Å; L70-F106 HydrophobicContact CB-CB 4.24Å; L70-F106 CarbonylContact O-C 3.59Å; L70-F106 WeakPolarHBondContact O-CA 3.47Å; L70-E107 PolarHBondContact O-N 2.91Å; L70-I161 WeakPolarHBondContact CA-O 3.45Å; L70-I161 HydrophobicContact CB-CG1 4.39Å; L70-I161 HydrophobicContact CD1-CD1 4.09Å; L70-I161 HydrophobicContact CD1-CG1 3.89Å; L70-L163 HydrophobicContact CD1-CB 4.19Å; L70-I176 HydrophobicContact CD1-CD1 4.06Å; L70-I176 HydrophobicContact CD2-CD1 3.49Å; L70-I176 VanDerWaalsContact CD2-CD1 3.49Å; L70-I176 HydrophobicContact CG-CD1 4.44Å; L70-L245 HydrophobicContact CD1-CD1 4.18Å
71S98.8Very high95Very high0 Ų047.9 Ų47.90%023%0.231CC..EExtended strand (participates in β ladder)trans-109.9130.2160.1-64.90000110.2E107 R158 G159 I161 L162 L163S71-E107 WeakPolarHBondContact CA-O 3.48Å; S71-E107 VanDerWaalsContact OG-CG 3.32Å; S71-E107 WeakPolarHBondContact OG-CG 3.49Å; S71-E107 PolarHBondContact OG-OE1 3.48Å; S71-R158 PolarHBondContact OG-N 2.96Å; S71-G159 VanDerWaalsContact OG-CA 3.26Å; S71-G159 WeakPolarHBondContact OG-CA 3.22Å; S71-G159 PolarHBondContact OG-N 3.24Å; S71-I161 PolarHBondContact N-O 2.72Å; S71-L162 WeakPolarHBondContact O-CA 3.24Å; S71-L163 PolarHBondContact O-N 3.32Å
72V98.8Very high95.6Very high0 Ų048.5 Ų48.50%023%0.23CC..EExtended strand (participates in β ladder)trans-108.5115175.1-1760000109.3L70 I74 L94 E107 I108 I109 L163 V165 F173L70-V72 HydrophobicContact CD1-CG2 4.39Å; L70-V72 HydrophobicContact CD2-CG2 3.74Å; L70-V72 HydrophobicContact CG-CG2 3.87Å; V72-I74 HydrophobicContact CG1-CD1 4.39Å; V72-I74 HydrophobicContact CG1-CG1 4.11Å; V72-L94 HydrophobicContact CG2-CD1 4.08Å; V72-E107 PolarHBondContact N-O 3.22Å; V72-I108 HydrophobicContact CB-CG1 4.26Å; V72-I108 CarbonylContact O-C 3.5Å; V72-I108 WeakPolarHBondContact O-CA 3.25Å; V72-I109 PolarHBondContact O-N 3.01Å; V72-L163 CarbonylContact C-O 3.47Å; V72-L163 WeakPolarHBondContact CA-O 3.33Å; V72-L163 HydrophobicContact CG1-CD2 4.33Å; V72-L163 HydrophobicContact CG2-CD2 4.47Å; V72-V165 HydrophobicContact CG1-CG1 3.6Å; V72-F173 HydrophobicContact CG1-CE2 3.97Å; V72-F173 HydrophobicContact CG1-CZ 4.37Å; V72-F173 HydrophobicContact CG2-CE2 4.45Å; V72-F173 HydrophobicContact CG2-CZ 4.03Å
73I98.6Very high95.9Very high0 Ų048.3 Ų48.30%023%0.229CC..EExtended strand (participates in β ladder)trans-98.6125.4-178.8-64.572.4000108.6I109 V111 M154 A157 L162 L163 F164 V165I73-I109 WeakPolarHBondContact CA-O 3.38Å; I73-V111 HydrophobicContact CG2-CG2 4.36Å; I73-M154 HydrophobicContact CB-CE 4.33Å; I73-M154 HydrophobicContact CD1-CE 3.9Å; I73-M154 HydrophobicContact CD1-CG 4.39Å; I73-M154 HydrophobicContact CD1-SD 3.7Å; I73-M154 HydrophobicContact CG1-CE 4.22Å; I73-M154 HydrophobicContact CG1-CG 4.12Å; I73-M154 HydrophobicContact CG1-SD 4.09Å; I73-A157 HydrophobicContact CD1-CB 4.11Å; I73-L162 HydrophobicContact CD1-CB 4.46Å; I73-L163 WeakPolarHBondContact CD1-O 3.22Å; I73-L163 PolarHBondContact N-O 3.41Å; I73-F164 HydrophobicContact CB-CB 4.12Å; I73-F164 HydrophobicContact CG2-CB 4.47Å; I73-F164 VanDerWaalsContact O-CA 3.22Å; I73-F164 WeakPolarHBondContact O-CA 3.28Å; I73-V165 PolarHBondContact O-N 2.89Å
74I98.6Very high96.3Very high0 Ų045.7 Ų45.70%021%0.213CC..EExtended strand (participates in β ladder)trans-122.596.3-176.9-54.8175.2000108.7V72 A76 L83 M86 L87 I108 I109 I110 V111 V165 A167V72-I74 HydrophobicContact CG1-CD1 4.39Å; V72-I74 HydrophobicContact CG1-CG1 4.11Å; I74-A76 PolarHBondContact O-N 2.87Å; I74-L83 HydrophobicContact CG2-CD1 3.82Å; I74-M86 HydrophobicContact CB-CE 4.09Å; I74-M86 HydrophobicContact CD1-CE 3.51Å; I74-M86 HydrophobicContact CD1-SD 4.07Å; I74-M86 HydrophobicContact CG1-CE 3.73Å; I74-M86 HydrophobicContact CG2-CE 3.26Å; I74-L87 HydrophobicContact CD1-CD2 3.44Å; I74-L87 VanDerWaalsContact CD1-CD2 3.44Å; I74-I108 HydrophobicContact CD1-CG2 3.41Å; I74-I108 VanDerWaalsContact CD1-CG2 3.41Å; I74-I108 HydrophobicContact CG1-CG2 4.15Å; I74-I109 PolarHBondContact N-O 3.4Å; I74-I110 HydrophobicContact CB-CG1 4.46Å; I74-I110 WeakPolarHBondContact O-CA 3.29Å; I74-V111 PolarHBondContact O-N 3.25Å; I74-V165 HydrophobicContact CG1-CG1 3.87Å; I74-A167 HydrophobicContact CG2-CB 3.89Å
75P98.2Very high96.6Very high13 Ų1346.6 Ų46.68%0.08422%0.224CC..EExtended strand (participates in β ladder)trans-69.7129.2171.231.8-36.3000109.8K146 A149 V150 V165 A167P75-K146 HydrophobicContact CB-CG 4.36Å; P75-K146 HydrophobicContact CG-CG 4.17Å; P75-A149 HydrophobicContact CB-CB 3.77Å; P75-V150 HydrophobicContact CB-CG2 3.95Å; P75-V150 HydrophobicContact CG-CG2 3.61Å; P75-V165 WeakPolarHBondContact CD-O 3.48Å; P75-A167 VanDerWaalsContact O-CB 3.32Å; P75-A167 WeakPolarHBondContact O-CB 3.46Å
76A97.7Very high96.8Very high1 Ų136.1 Ų36.11%0.00819%0.185CC..EExtended strand (participates in β ladder)trans-131.2127.4-178.400000111.4I74 E79 L83 I110 V111 N112 D113 T119 A167I74-A76 PolarHBondContact O-N 2.87Å; A76-E79 HydrophobicContact CB-CB 4.41Å; A76-E79 HydrophobicContact CB-CG 4.28Å; A76-L83 HydrophobicContact CB-CD2 4.38Å; A76-I110 HydrophobicContact CB-CG2 4.23Å; A76-V111 PolarHBondContact N-O 2.94Å; A76-N112 WeakPolarHBondContact O-CA 3.42Å; A76-D113 PolarHBondContact O-N 3.01Å; A76-T119 HydrophobicContact CB-CG2 3.91Å; A76-A167 HydrophobicContact CB-CB 4.26Å
77Y97Very high96.9Very high62 Ų6233.4 Ų33.424%0.24317%0.167CC..SBendtrans-139.6108.2171.9-179.5-116.7000111D113 G114 S115 N143 K294Y77-D113 WeakPolarHBondContact CD2-O 3.34Å; Y77-G114 WeakPolarHBondContact CE2-O 3.35Å; Y77-S115 WeakPolarHBondContact CA-OG 3.39Å; Y77-N143 HydrophobicContact CD2-CB 4.36Å; Y77-N143 WeakPolarHBondContact CD2-ND2 3.35Å; Y77-N143 HydrophobicContact CE2-CB 3.81Å; Y77-N143 VanDerWaalsContact CE2-ND2 3.33Å; Y77-N143 WeakPolarHBondContact CE2-ND2 3.26Å; Y77-N143 VanDerWaalsContact CG-ND2 3.34Å; Y77-K294 VanDerWaalsContact O-CE 3.31Å; Y77-K294 WeakPolarHBondContact O-CE 3.46Å
78N96.3Very high97Very high36 Ų3630 Ų3019%0.19316%0.155CC..SBendtrans5353.9-174.8-58.5-24.1000113.2S115 K116 D117 K294N78-S115 PolarHBondContact N-OG 3.21Å; N78-S115 VanDerWaalsContact OD1-CA 3.31Å; N78-S115 WeakPolarHBondContact OD1-CA 3.28Å; N78-S115 WeakPolarHBondContact OD1-CB 3.46Å; N78-K116 PolarHBondContact OD1-N 2.88Å; N78-D117 VanDerWaalsContact CA-CG 3.49Å; N78-D117 WeakPolarHBondContact CA-OD1 3.3Å; N78-D117 WeakPolarHBondContact CA-OD2 3.41Å; N78-D117 WeakPolarHBondContact CB-OD2 3.4Å; N78-D117 PolarHBondContact OD1-N 3.45Å; N78-K294 WeakPolarHBondContact O-CE 3.29Å; N78-K294 PolarHBondContact O-NZ 3.05Å
79E95.5Very high97Very high17 Ų1731.8 Ų31.88%0.07916%0.164CC..  trans-108.724.2-173-63.1-65.3172.600113A76 E81 R82 L83 T119 A167A76-E79 HydrophobicContact CB-CB 4.41Å; A76-E79 HydrophobicContact CB-CG 4.28Å; E79-E81 PolarHBondContact O-N 2.9Å; E79-R82 PolarHBondContact O-N 2.97Å; E79-R82 IonicContact OE1-CZ 3.02Å; E79-R82 IonicContact OE1-NH2 2.6Å; E79-R82 PolarHBondContact OE1-NH2 3.34Å; E79-R82 IonicContact OE2-CZ 2.73Å; E79-R82 IonicContact OE2-NE 3.18Å; E79-R82 PolarHBondContact OE2-NE 2.87Å; E79-R82 IonicContact OE2-NH2 3.93Å; E79-R82 PolarHBondContact OE2-NH2 3.01Å; E79-L83 HydrophobicContact CB-CB 3.92Å; E79-L83 WeakPolarHBondContact O-CB 3.5Å; E79-L83 PolarHBondContact O-N 3.48Å; E79-T119 HydrophobicContact CB-CG2 4.28Å; E79-T119 PolarHBondContact N-OG1 3.14Å; E79-A167 HydrophobicContact CB-CB 4.16Å; E79-A167 HydrophobicContact CG-CB 3.75Å
80V95.1Very high97.1Very high46 Ų4629.1 Ų29.128%0.27915%0.152SC..THydrogen-bonded Turntrans-51.1-35.8-174.571.30000113.6P84 D117 H118 T119 I122V80-P84 WeakPolarHBondContact O-CD 3.5Å; V80-P84 WeakPolarHBondContact O-CG 3.41Å; V80-D117 WeakPolarHBondContact CB-OD2 3.09Å; V80-D117 WeakPolarHBondContact CG1-OD2 3.17Å; V80-H118 HydrophobicContact CG2-CB 4.16Å; V80-T119 PolarHBondContact N-OG1 3.14Å; V80-T119 VanDerWaalsContact N-OG1 3.17Å; V80-I122 HydrophobicContact CB-CD1 4.28Å; V80-I122 HydrophobicContact CG2-CD1 3.38Å; V80-I122 HydrophobicContact CG2-CG1 4.43Å; V80-I122 WeakPolarHBondContact O-CD1 3.49Å
81E93.7Very high97.1Very high167 Ų16729.2 Ų29.278%0.7815%0.152SC*.THydrogen-bonded Turntrans-85.4-28.3-178.4-61.6-178.9173.700113.7E79E79-E81 PolarHBondContact O-N 2.9Å
82R94.8Very high97Very high23 Ų2333.6 Ų33.69%0.08718%0.175CC..THydrogen-bonded Turntrans-105.2-37.1-168.3-54.2-171.1-72.2175.77.6113.1E79 P84 T85 M86 A167 D168 I290 P291 G292E79-R82 PolarHBondContact O-N 2.97Å; E79-R82 IonicContact OE1-CZ 3.02Å; E79-R82 IonicContact OE1-NH2 2.6Å; E79-R82 PolarHBondContact OE1-NH2 3.34Å; E79-R82 IonicContact OE2-CZ 2.73Å; E79-R82 IonicContact OE2-NE 3.18Å; E79-R82 PolarHBondContact OE2-NE 2.87Å; E79-R82 IonicContact OE2-NH2 3.93Å; E79-R82 PolarHBondContact OE2-NH2 3.01Å; R82-P84 VanDerWaalsContact C-CD 3.46Å; R82-T85 PolarHBondContact O-N 3.03Å; R82-M86 PolarHBondContact O-N 3.48Å; R82-A167 CarbonylContact C-O 3.58Å; R82-D168 IonicContact NH1-OD2 2.99Å; R82-I290 HydrophobicContact CG-CG2 4.28Å; R82-P291 WeakPolarHBondContact CD-O 3.41Å; R82-P291 PolarHBondContact NH1-O 2.88Å; R82-P291 VanDerWaalsContact NH1-O 3.16Å; R82-G292 PolarHBondContact NH2-O 3.26Å
83L96.4Very high97Very high0 Ų035.5 Ų35.50%018%0.183CC..Hα-helixtrans-55.3-43-179.8-17866.8000113.2I74 A76 E79 T85 M86 L87 I110 T119 A167I74-L83 HydrophobicContact CG2-CD1 3.82Å; A76-L83 HydrophobicContact CB-CD2 4.38Å; E79-L83 HydrophobicContact CB-CB 3.92Å; E79-L83 WeakPolarHBondContact O-CB 3.5Å; E79-L83 PolarHBondContact O-N 3.48Å; L83-T85 PolarHBondContact O-N 3.27Å; L83-M86 PolarHBondContact O-N 2.87Å; L83-L87 HydrophobicContact CD1-CD1 3.85Å; L83-L87 HydrophobicContact CD1-CD2 4.39Å; L83-L87 HydrophobicContact CD1-CG 3.79Å; L83-L87 HydrophobicContact CD2-CD1 4.17Å; L83-L87 HydrophobicContact CG-CD1 3.64Å; L83-L87 HydrophobicContact CG-CG 4.04Å; L83-L87 WeakPolarHBondContact O-CB 3.23Å; L83-L87 WeakPolarHBondContact O-CG 3.41Å; L83-L87 PolarHBondContact O-N 3.14Å; L83-I110 HydrophobicContact CD2-CG2 4.45Å; L83-T119 HydrophobicContact CD2-CG2 3.86Å; L83-A167 HydrophobicContact CD1-CB 4.03Å; L83-A167 PolarHBondContact N-O 2.94Å
84P97Very high97Very high30 Ų3035.5 Ų35.520%0.19518%0.183CC..Hα-helixtrans-59.4-42.2-180-25.334.9000113.8V80 R82 T88 I122 Y126V80-P84 WeakPolarHBondContact O-CD 3.5Å; V80-P84 WeakPolarHBondContact O-CG 3.41Å; R82-P84 VanDerWaalsContact C-CD 3.46Å; P84-T88 VanDerWaalsContact O-CB 3.29Å; P84-T88 WeakPolarHBondContact O-CB 3.37Å; P84-T88 PolarHBondContact O-N 2.6Å; P84-T88 PolarHBondContact O-OG1 2.91Å; P84-I122 HydrophobicContact CG-CD1 4.1Å; P84-I122 HydrophobicContact CG-CG2 4.01Å; P84-Y126 HydrophobicContact CB-CE2 4.42Å; P84-Y126 PolarHBondContact O-OH 3.38Å
85T96Very high97Very high99 Ų9938.2 Ų38.261%0.60720%0.196SC*.Hα-helixtrans-65.2-49.5-179.2-57.20000110.2R82 L83 T88 E89R82-T85 PolarHBondContact O-N 3.03Å; L83-T85 PolarHBondContact O-N 3.27Å; T85-T88 PolarHBondContact O-N 3.27Å; T85-E89 PolarHBondContact O-N 2.87Å
86M95.9Very high97Very high3 Ų344.8 Ų44.82%0.01522%0.223CC..Hα-helixtrans-63.1-45.4179.2-168.3-80.7-83.500111.8I74 R82 L83 T88 E89 A90 V165 D166I74-M86 HydrophobicContact CB-CE 4.09Å; I74-M86 HydrophobicContact CD1-CE 3.51Å; I74-M86 HydrophobicContact CD1-SD 4.07Å; I74-M86 HydrophobicContact CG1-CE 3.73Å; I74-M86 HydrophobicContact CG2-CE 3.26Å; R82-M86 PolarHBondContact O-N 3.48Å; L83-M86 PolarHBondContact O-N 2.87Å; M86-T88 VanDerWaalsContact C-N 3.33Å; M86-T88 PolarHBondContact O-N 3.17Å; M86-E89 PolarHBondContact O-N 3.38Å; M86-A90 WeakPolarHBondContact O-CB 3.31Å; M86-A90 PolarHBondContact O-N 3.45Å; M86-A90 HydrophobicContact SD-CB 4.28Å; M86-V165 HydrophobicContact CE-CG1 4Å; M86-V165 HydrophobicContact CE-CG2 4.48Å; M86-V165 HydrophobicContact SD-CG1 4.19Å; M86-V165 HydrophobicContact SD-CG2 4.44Å; M86-D166 WeakPolarHBondContact CE-O 3.36Å
87L97.6Very high96.9Very high0 Ų047.6 Ų47.60%023%0.233CC..Hα-helixtrans-61.6-41.2177.3-77.1176.3000112.5I74 L83 A90 L91 I108 I110 Y126I74-L87 HydrophobicContact CD1-CD2 3.44Å; I74-L87 VanDerWaalsContact CD1-CD2 3.44Å; L83-L87 HydrophobicContact CD1-CD1 3.85Å; L83-L87 HydrophobicContact CD1-CD2 4.39Å; L83-L87 HydrophobicContact CD1-CG 3.79Å; L83-L87 HydrophobicContact CD2-CD1 4.17Å; L83-L87 HydrophobicContact CG-CD1 3.64Å; L83-L87 HydrophobicContact CG-CG 4.04Å; L83-L87 WeakPolarHBondContact O-CB 3.23Å; L83-L87 WeakPolarHBondContact O-CG 3.41Å; L83-L87 PolarHBondContact O-N 3.14Å; L87-A90 PolarHBondContact O-N 2.82Å; L87-L91 VanDerWaalsContact O-CB 3.26Å; L87-L91 WeakPolarHBondContact O-CB 3.22Å; L87-L91 VanDerWaalsContact O-CG 3.29Å; L87-L91 WeakPolarHBondContact O-CG 3.38Å; L87-L91 PolarHBondContact O-N 3.16Å; L87-I108 HydrophobicContact CD2-CG2 4.23Å; L87-I110 HydrophobicContact CD1-CD1 3.59Å; L87-I110 HydrophobicContact CD2-CD1 3.8Å; L87-I110 HydrophobicContact CD2-CG1 4.15Å; L87-I110 HydrophobicContact CG-CD1 4.31Å; L87-Y126 HydrophobicContact CB-CD1 4.07Å; L87-Y126 HydrophobicContact CB-CE1 3.81Å; L87-Y126 HydrophobicContact CD1-CD1 4.03Å; L87-Y126 HydrophobicContact CD1-CD2 3.91Å; L87-Y126 HydrophobicContact CD1-CE1 4.33Å; L87-Y126 HydrophobicContact CD1-CE2 4.24Å; L87-Y126 HydrophobicContact CD1-CG 3.83Å
88T97.6Very high96.9Very high54 Ų5447 Ų4733%0.33123%0.233SC..Hα-helixtrans-64.4-43.4178.5-610000110.7P84 T85 M86 N92 Y126P84-T88 VanDerWaalsContact O-CB 3.29Å; P84-T88 WeakPolarHBondContact O-CB 3.37Å; P84-T88 PolarHBondContact O-N 2.6Å; P84-T88 PolarHBondContact O-OG1 2.91Å; T85-T88 PolarHBondContact O-N 3.27Å; M86-T88 VanDerWaalsContact C-N 3.33Å; M86-T88 PolarHBondContact O-N 3.17Å; T88-N92 WeakPolarHBondContact CG2-ND2 3.31Å; T88-N92 WeakPolarHBondContact O-CB 3.48Å; T88-N92 PolarHBondContact O-N 2.84Å; T88-N92 PolarHBondContact O-ND2 3.37Å; T88-N92 VanDerWaalsContact O-ND2 3.11Å; T88-Y126 PolarHBondContact OG1-OH 3.06Å; T88-Y126 VanDerWaalsContact OG1-OH 3.06Å
89E97.9Very high96.9Very high60 Ų6050.5 Ų50.528%0.2825%0.252SS..Hα-helixtrans-60.5-51.2174.8-173.5-174.4165.800111.5T85 M86 N92 Y93 F173T85-E89 PolarHBondContact O-N 2.87Å; M86-E89 PolarHBondContact O-N 3.38Å; E89-N92 PolarHBondContact O-N 2.93Å; E89-Y93 WeakPolarHBondContact O-CB 3.35Å; E89-Y93 PolarHBondContact O-N 2.64Å; E89-F173 HydrophobicContact CG-CB 4.03Å; E89-F173 PolarHBondContact OE1-N 2.76Å
90A98.4Very high97Very high0 Ų055 Ų550%028%0.284CS..Hα-helixtrans-60.9-50.1-178.800000112.2M86 L87 N92 Y93 L94 I108 F173M86-A90 WeakPolarHBondContact O-CB 3.31Å; M86-A90 PolarHBondContact O-N 3.45Å; M86-A90 HydrophobicContact SD-CB 4.28Å; L87-A90 PolarHBondContact O-N 2.82Å; A90-N92 PolarHBondContact O-N 3.25Å; A90-Y93 PolarHBondContact O-N 2.89Å; A90-L94 WeakPolarHBondContact O-CB 3.31Å; A90-L94 WeakPolarHBondContact O-CG 3.2Å; A90-L94 PolarHBondContact O-N 2.89Å; A90-I108 HydrophobicContact CB-CD1 4.44Å; A90-F173 HydrophobicContact CB-CD1 4.28Å; A90-F173 HydrophobicContact CB-CD2 3.54Å; A90-F173 HydrophobicContact CB-CE1 4.32Å; A90-F173 HydrophobicContact CB-CE2 3.58Å; A90-F173 HydrophobicContact CB-CG 3.91Å; A90-F173 HydrophobicContact CB-CZ 3.99Å
91L98.5Very high97Very high2 Ų256.5 Ų56.51%0.0129%0.291CS..Hα-helixtrans-62.6-44.9179.5-74.9166.5000111.7L87 Y93 L94 H95 F106 I108 Y126 E130 L135L87-L91 VanDerWaalsContact O-CB 3.26Å; L87-L91 WeakPolarHBondContact O-CB 3.22Å; L87-L91 VanDerWaalsContact O-CG 3.29Å; L87-L91 WeakPolarHBondContact O-CG 3.38Å; L87-L91 PolarHBondContact O-N 3.16Å; L91-Y93 VanDerWaalsContact C-N 3.29Å; L91-Y93 PolarHBondContact O-N 2.93Å; L91-L94 PolarHBondContact O-N 3.08Å; L91-H95 WeakPolarHBondContact O-CB 3.1Å; L91-H95 PolarHBondContact O-CD2 3.33Å; L91-H95 PolarHBondContact O-N 2.88Å; L91-F106 HydrophobicContact CD2-CE2 4.29Å; L91-I108 HydrophobicContact CD2-CD1 3.57Å; L91-I108 HydrophobicContact CG-CD1 3.84Å; L91-Y126 HydrophobicContact CD1-CD1 3.69Å; L91-Y126 HydrophobicContact CD1-CE1 4.13Å; L91-E130 HydrophobicContact CD1-CG 3.93Å; L91-E130 HydrophobicContact CD2-CG 3.94Å; L91-L135 HydrophobicContact CD1-CD1 4.48Å
92N98.1Very high96.9Very high92 Ų9255.7 Ų55.749%0.49229%0.285SS..Hα-helixtrans-61-40.5178-75.6-21.6000111.9T88 E89 A90 K96T88-N92 WeakPolarHBondContact CG2-ND2 3.31Å; T88-N92 WeakPolarHBondContact O-CB 3.48Å; T88-N92 PolarHBondContact O-N 2.84Å; T88-N92 PolarHBondContact O-ND2 3.37Å; T88-N92 VanDerWaalsContact O-ND2 3.11Å; E89-N92 PolarHBondContact O-N 2.93Å; A90-N92 PolarHBondContact O-N 3.25Å; N92-K96 WeakPolarHBondContact O-CB 3.47Å; N92-K96 WeakPolarHBondContact O-CD 3.49Å; N92-K96 WeakPolarHBondContact O-CG 3.49Å; N92-K96 PolarHBondContact O-N 3.34Å
93Y98.2Very high96.9Very high40 Ų4063.3 Ų63.316%0.15732%0.319CS..Hα-helixtrans-67.7-47.1177.5176.7-85.6000111.4E89 A90 L91 K96 R97 F173 I176 E177E89-Y93 WeakPolarHBondContact O-CB 3.35Å; E89-Y93 PolarHBondContact O-N 2.64Å; A90-Y93 PolarHBondContact O-N 2.89Å; L91-Y93 VanDerWaalsContact C-N 3.29Å; L91-Y93 PolarHBondContact O-N 2.93Å; Y93-K96 PolarHBondContact O-N 3.25Å; Y93-R97 PolarHBondContact O-N 3.2Å; Y93-R97 VanDerWaalsContact O-N 3.12Å; Y93-F173 AromaticContact CD1-CD1 3.52Å; Y93-F173 HydrophobicContact CD1-CD1 3.52Å; Y93-F173 AromaticContact CD1-CE1 3.52Å; Y93-F173 HydrophobicContact CD1-CE1 3.52Å; Y93-F173 HydrophobicContact CE1-CD1 4.27Å; Y93-F173 HydrophobicContact CE1-CE1 4.15Å; Y93-F173 AromaticContact CG-CD1 3.82Å; Y93-F173 HydrophobicContact CG-CD1 3.82Å; Y93-F173 HydrophobicContact CG-CE1 4.26Å; Y93-I176 HydrophobicContact CE1-CG2 3.67Å; Y93-E177 WeakPolarHBondContact OH-CG 2.96Å; Y93-E177 PolarHBondContact OH-OE1 3.2Å
94L98.5Very high96.9Very high0 Ų063.5 Ų63.50%032%0.32CS..Hα-helixtrans-69.3-40.3-176.1-67.6169.6000112.8L70 V72 A90 L91 R97 E98 F104 F106 I108 F173L70-L94 HydrophobicContact CD2-CD2 3.68Å; V72-L94 HydrophobicContact CG2-CD1 4.08Å; A90-L94 WeakPolarHBondContact O-CB 3.31Å; A90-L94 WeakPolarHBondContact O-CG 3.2Å; A90-L94 PolarHBondContact O-N 2.89Å; L91-L94 PolarHBondContact O-N 3.08Å; L94-R97 WeakPolarHBondContact O-CB 3.37Å; L94-R97 PolarHBondContact O-N 2.84Å; L94-R97 VanDerWaalsContact O-N 3.17Å; L94-E98 PolarHBondContact O-N 2.96Å; L94-F104 HydrophobicContact CD2-CE1 4.1Å; L94-F104 HydrophobicContact CD2-CZ 3.94Å; L94-F106 HydrophobicContact CB-CD1 3.86Å; L94-F106 HydrophobicContact CB-CD2 3.93Å; L94-F106 HydrophobicContact CB-CE1 3.67Å; L94-F106 HydrophobicContact CB-CE2 3.72Å; L94-F106 HydrophobicContact CB-CG 3.98Å; L94-F106 HydrophobicContact CB-CZ 3.58Å; L94-F106 HydrophobicContact CD1-CD2 3.53Å; L94-F106 HydrophobicContact CD1-CE2 3.73Å; L94-F106 HydrophobicContact CD1-CG 4.11Å; L94-F106 HydrophobicContact CD1-CZ 4.47Å; L94-F106 HydrophobicContact CD2-CG 4.39Å; L94-F106 HydrophobicContact CG-CD2 4.22Å; L94-F106 HydrophobicContact CG-CE2 4.35Å; L94-F106 HydrophobicContact CG-CG 4.39Å; L94-I108 HydrophobicContact CD1-CD1 4.03Å; L94-I108 HydrophobicContact CD1-CG1 4.17Å; L94-F173 HydrophobicContact CD1-CE1 4.09Å; L94-F173 HydrophobicContact CD1-CZ 3.84Å; L94-F173 HydrophobicContact CD2-CE1 3.83Å; L94-F173 HydrophobicContact CD2-CZ 4.12Å; L94-F173 HydrophobicContact CG-CE1 3.74Å; L94-F173 HydrophobicContact CG-CZ 4.01Å
95H98Very high97Very high58 Ų5864.2 Ų64.227%0.26932%0.323SS..Hα-helixtrans-62.4-43174.2-79-51.2000112L91 R97 E98 D99 F106 E130L91-H95 WeakPolarHBondContact O-CB 3.1Å; L91-H95 PolarHBondContact O-CD2 3.33Å; L91-H95 PolarHBondContact O-N 2.88Å; H95-R97 PolarHBondContact O-N 3.46Å; H95-E98 IonicContact ND1-OE2 3.88Å; H95-E98 PolarHBondContact O-N 2.65Å; H95-D99 WeakPolarHBondContact O-CB 3.36Å; H95-D99 PolarHBondContact O-N 2.81Å; H95-F106 AromaticContact CE1-CZ 3.87Å; H95-F106 AromaticContact ND1-CZ 3.91Å; H95-E130 IonicContact CD2-OE2 2.99Å; H95-E130 IonicContact CE1-OE2 3.56Å; H95-E130 IonicContact NE2-OE2 3.62Å; H95-E130 PolarHBondContact NE2-OE2 3.32Å
96K98.1Very high97.1Very high150 Ų15059.5 Ų59.565%0.65230%0.295SS*.Hα-helixtrans-59.3-37.3174.1-76.6174.7-178.1-179.50112.3N92 Y93 S100N92-K96 WeakPolarHBondContact O-CB 3.47Å; N92-K96 WeakPolarHBondContact O-CD 3.49Å; N92-K96 WeakPolarHBondContact O-CG 3.49Å; N92-K96 PolarHBondContact O-N 3.34Å; Y93-K96 PolarHBondContact O-N 3.25Å; K96-S100 WeakPolarHBondContact O-CB 3.27Å; K96-S100 PolarHBondContact O-N 2.91Å; K96-S100 VanDerWaalsContact O-N 3.11Å; K96-S100 PolarHBondContact O-OG 3.4Å
97R97.2Very high97.2Very high60 Ų6059.4 Ų59.423%0.22629%0.294CS..Hα-helixtrans-69.3-45.5177.2-173.1178175.5-178.76.3111.8Y93 L94 H95 D99 S100 D101 F104 E180Y93-R97 PolarHBondContact O-N 3.2Å; Y93-R97 VanDerWaalsContact O-N 3.12Å; L94-R97 WeakPolarHBondContact O-CB 3.37Å; L94-R97 PolarHBondContact O-N 2.84Å; L94-R97 VanDerWaalsContact O-N 3.17Å; H95-R97 PolarHBondContact O-N 3.46Å; R97-D99 VanDerWaalsContact C-N 3.27Å; R97-D99 PolarHBondContact O-N 3.29Å; R97-S100 PolarHBondContact O-N 3.38Å; R97-S100 VanDerWaalsContact O-N 3.15Å; R97-D101 PolarHBondContact O-N 3.28Å; R97-F104 HydrophobicContact CB-CD1 4.07Å; R97-F104 HydrophobicContact CB-CE1 4.11Å; R97-F104 HydrophobicContact CG-CD1 3.68Å; R97-F104 HydrophobicContact CG-CD2 4.47Å; R97-F104 HydrophobicContact CG-CE1 3.93Å; R97-F104 HydrophobicContact CG-CG 3.97Å; R97-F104 HydrophobicContact CG-CZ 4.44Å; R97-F104 VanDerWaalsContact NH1-CE2 3.33Å; R97-E180 IonicContact CZ-OE1 2.69Å; R97-E180 IonicContact CZ-OE2 2.67Å; R97-E180 IonicContact NH1-OE1 3.56Å; R97-E180 PolarHBondContact NH1-OE1 3.37Å; R97-E180 IonicContact NH1-OE2 3.02Å; R97-E180 PolarHBondContact NH1-OE2 3.27Å; R97-E180 IonicContact NH2-OE1 3.65Å; R97-E180 PolarHBondContact NH2-OE1 2.92Å; R97-E180 IonicContact NH2-OE2 3.19Å; R97-E180 PolarHBondContact NH2-OE2 3.31Å
98E96.5Very high97.2Very high50 Ų5059.4 Ų59.423%0.23429%0.294CS..Hα-helixtrans-63-32.6175.3-177.6172.6-109.400112.5L94 H95 D101 F104 F106L94-E98 PolarHBondContact O-N 2.96Å; H95-E98 IonicContact ND1-OE2 3.88Å; H95-E98 PolarHBondContact O-N 2.65Å; E98-D101 CarbonylContact O-C 3.57Å; E98-F104 HydrophobicContact CB-CD1 4.25Å; E98-F106 HydrophobicContact CB-CE1 4.38Å
99D97Very high97.2Very high110 Ų11056.8 Ų56.859%0.58828%0.278SS*.Hα-helixtrans-69.2-36172.5-82.7-26.7000113.4H95 R97 K102H95-D99 WeakPolarHBondContact O-CB 3.36Å; H95-D99 PolarHBondContact O-N 2.81Å; R97-D99 VanDerWaalsContact C-N 3.27Å; R97-D99 PolarHBondContact O-N 3.29Å; D99-K102 IonicContact OD1-NZ 2.97Å; D99-K102 PolarHBondContact OD1-NZ 3.16Å
100S96.8Very high97.3Very high110 Ų11054 Ų5477%0.76927%0.265SS*.Hα-helixtrans-80.3-31.8-179.8-56.20000112.8K96 R97K96-S100 WeakPolarHBondContact O-CB 3.27Å; K96-S100 PolarHBondContact O-N 2.91Å; K96-S100 VanDerWaalsContact O-N 3.11Å; K96-S100 PolarHBondContact O-OG 3.4Å; R97-S100 PolarHBondContact O-N 3.38Å; R97-S100 VanDerWaalsContact O-N 3.15Å
101D95.6Very high97.2Very high78 Ų7854 Ų5442%0.41727%0.265SS..  trans-132.6101.6177179.58.4000110.5R97 E98 K103 F104R97-D101 PolarHBondContact O-N 3.28Å; E98-D101 CarbonylContact O-C 3.57Å; D101-K103 PolarHBondContact O-N 3.46Å; D101-K103 VanDerWaalsContact O-N 3.08Å; D101-K103 WeakPolarHBondContact OD1-CB 3.33Å; D101-K103 PolarHBondContact OD1-N 2.77Å; D101-F104 HydrophobicContact CB-CB 4.15Å; D101-F104 WeakPolarHBondContact O-CB 3.37Å; D101-F104 PolarHBondContact O-N 2.91Å
102K91.6Very high97.2Very high150 Ų15054 Ų5465%0.65227%0.265SS*.THydrogen-bonded Turntrans-66.8-8.5-179.6-63.2-66.1168.8-163.20114.4D99D99-K102 IonicContact OD1-NZ 2.97Å; D99-K102 PolarHBondContact OD1-NZ 3.16Å
103K93.6Very high97.1Very high184 Ų18449.9 Ų49.980%0.824%0.243SC*.THydrogen-bonded Turntrans-85.8-23170.7-63.3179.9-179.5175.40112.1D101 T105D101-K103 PolarHBondContact O-N 3.46Å; D101-K103 VanDerWaalsContact O-N 3.08Å; D101-K103 WeakPolarHBondContact OD1-CB 3.33Å; D101-K103 PolarHBondContact OD1-N 2.77Å; K103-T105 PolarHBondContact O-N 3.43Å
104F97.6Very high97Very high4 Ų448.7 Ų48.72%0.01824%0.243CC..  trans-72.4124.2175.6-179.9-100.9000109.1E69 L70 L94 R97 E98 D101 F106E69-F104 HydrophobicContact CB-CD2 4.08Å; E69-F104 HydrophobicContact CB-CE2 4.32Å; E69-F104 HydrophobicContact CG-CD2 3.85Å; E69-F104 HydrophobicContact CG-CE2 4.11Å; L70-F104 HydrophobicContact CB-CE2 3.99Å; L70-F104 HydrophobicContact CB-CZ 4.01Å; L70-F104 HydrophobicContact CD2-CE2 4.48Å; L70-F104 HydrophobicContact CD2-CZ 3.99Å; L94-F104 HydrophobicContact CD2-CE1 4.1Å; L94-F104 HydrophobicContact CD2-CZ 3.94Å; R97-F104 HydrophobicContact CB-CD1 4.07Å; R97-F104 HydrophobicContact CB-CE1 4.11Å; R97-F104 HydrophobicContact CG-CD1 3.68Å; R97-F104 HydrophobicContact CG-CD2 4.47Å; R97-F104 HydrophobicContact CG-CE1 3.93Å; R97-F104 HydrophobicContact CG-CG 3.97Å; R97-F104 HydrophobicContact CG-CZ 4.44Å; R97-F104 VanDerWaalsContact NH1-CE2 3.33Å; E98-F104 HydrophobicContact CB-CD1 4.25Å; D101-F104 HydrophobicContact CB-CB 4.15Å; D101-F104 WeakPolarHBondContact O-CB 3.37Å; D101-F104 PolarHBondContact O-N 2.91Å; F104-F106 HydrophobicContact CD1-CD1 4.49Å; F104-F106 HydrophobicContact CE1-CB 3.96Å; F104-F106 AromaticContact CE1-CD1 3.86Å; F104-F106 HydrophobicContact CE1-CD1 3.86Å; F104-F106 HydrophobicContact CE1-CG 4.26Å; F104-F106 HydrophobicContact CZ-CB 3.98Å
105T98.1Very high96.9Very high44 Ų4449.7 Ų49.727%0.2725%0.25SC..  trans-132.1143.5173.954.70000108.5E69 L70 K103E69-T105 WeakPolarHBondContact CA-O 3.5Å; E69-T105 VanDerWaalsContact CB-O 3.22Å; E69-T105 WeakPolarHBondContact CB-O 3.24Å; E69-T105 PolarHBondContact N-O 2.9Å; E69-T105 PolarHBondContact N-OG1 2.88Å; L70-T105 PolarHBondContact N-O 3.31Å; L70-T105 VanDerWaalsContact N-O 3.16Å; K103-T105 PolarHBondContact O-N 3.43Å
106F98.4Very high96.7Very high1 Ų155.7 Ų55.70%0.00428%0.275CS..EExtended strand (participates in β ladder)trans-133.8170.1-178.271.8-83.1000112.1L70 L91 L94 H95 E98 F104 I108 T134L70-F106 HydrophobicContact CB-CB 4.24Å; L70-F106 CarbonylContact O-C 3.59Å; L70-F106 WeakPolarHBondContact O-CA 3.47Å; L91-F106 HydrophobicContact CD2-CE2 4.29Å; L94-F106 HydrophobicContact CB-CD1 3.86Å; L94-F106 HydrophobicContact CB-CD2 3.93Å; L94-F106 HydrophobicContact CB-CE1 3.67Å; L94-F106 HydrophobicContact CB-CE2 3.72Å; L94-F106 HydrophobicContact CB-CG 3.98Å; L94-F106 HydrophobicContact CB-CZ 3.58Å; L94-F106 HydrophobicContact CD1-CD2 3.53Å; L94-F106 HydrophobicContact CD1-CE2 3.73Å; L94-F106 HydrophobicContact CD1-CG 4.11Å; L94-F106 HydrophobicContact CD1-CZ 4.47Å; L94-F106 HydrophobicContact CD2-CG 4.39Å; L94-F106 HydrophobicContact CG-CD2 4.22Å; L94-F106 HydrophobicContact CG-CE2 4.35Å; L94-F106 HydrophobicContact CG-CG 4.39Å; H95-F106 AromaticContact CE1-CZ 3.87Å; H95-F106 AromaticContact ND1-CZ 3.91Å; E98-F106 HydrophobicContact CB-CE1 4.38Å; F104-F106 HydrophobicContact CD1-CD1 4.49Å; F104-F106 HydrophobicContact CE1-CB 3.96Å; F104-F106 AromaticContact CE1-CD1 3.86Å; F104-F106 HydrophobicContact CE1-CD1 3.86Å; F104-F106 HydrophobicContact CE1-CG 4.26Å; F104-F106 HydrophobicContact CZ-CB 3.98Å; F106-I108 HydrophobicContact CD2-CG1 4.21Å; F106-I108 HydrophobicContact CE2-CD1 4.42Å; F106-I108 HydrophobicContact CE2-CG1 4.18Å; F106-T134 HydrophobicContact CD2-CG2 4.48Å; F106-T134 HydrophobicContact CE2-CG2 3.64Å; F106-T134 HydrophobicContact CZ-CG2 3.73Å
107E97.7Very high96.6Very high0 Ų050.7 Ų50.70%026%0.256CS..EExtended strand (participates in β ladder)trans-142.3156.4160.263.5169.4174.700111K68 L70 S71 V72 T134 R136 R158K68-E107 HydrophobicContact CG-CB 4.5Å; K68-E107 HydrophobicContact CG-CG 4.41Å; L70-E107 PolarHBondContact O-N 2.91Å; S71-E107 WeakPolarHBondContact CA-O 3.48Å; S71-E107 VanDerWaalsContact OG-CG 3.32Å; S71-E107 WeakPolarHBondContact OG-CG 3.49Å; S71-E107 PolarHBondContact OG-OE1 3.48Å; V72-E107 PolarHBondContact N-O 3.22Å; E107-T134 CarbonylContact C-O 3.54Å; E107-T134 VanDerWaalsContact CA-O 3.23Å; E107-T134 WeakPolarHBondContact CA-O 3.22Å; E107-R136 VanDerWaalsContact CD-NH2 3.32Å; E107-R136 IonicContact OE1-NH2 2.75Å; E107-R136 PolarHBondContact OE1-NH2 3.42Å; E107-R136 IonicContact OE2-CZ 3.59Å; E107-R136 IonicContact OE2-NE 3.82Å; E107-R136 PolarHBondContact OE2-NE 3.35Å; E107-R136 IonicContact OE2-NH2 3.78Å; E107-R136 PolarHBondContact OE2-NH2 2.88Å; E107-R158 WeakPolarHBondContact OE1-CB 3.35Å; E107-R158 PolarHBondContact OE1-N 2.85Å; E107-R158 IonicContact OE1-NE 3.95Å; E107-R158 IonicContact OE2-CZ 2.72Å; E107-R158 VanDerWaalsContact OE2-CZ 3.24Å; E107-R158 IonicContact OE2-NE 4Å; E107-R158 PolarHBondContact OE2-NE 2.87Å; E107-R158 IonicContact OE2-NH2 3.55Å; E107-R158 PolarHBondContact OE2-NH2 3.37Å
108I98.6Very high96.5Very high0 Ų053.1 Ų53.10%027%0.269CS..EExtended strand (participates in β ladder)trans-115.2130.3170.1-58.4-173.3000108.7V72 I74 L87 A90 L91 L94 F106 I110 T134 L135 R136V72-I108 HydrophobicContact CB-CG1 4.26Å; V72-I108 CarbonylContact O-C 3.5Å; V72-I108 WeakPolarHBondContact O-CA 3.25Å; I74-I108 HydrophobicContact CD1-CG2 3.41Å; I74-I108 VanDerWaalsContact CD1-CG2 3.41Å; I74-I108 HydrophobicContact CG1-CG2 4.15Å; L87-I108 HydrophobicContact CD2-CG2 4.23Å; A90-I108 HydrophobicContact CB-CD1 4.44Å; L91-I108 HydrophobicContact CD2-CD1 3.57Å; L91-I108 HydrophobicContact CG-CD1 3.84Å; L94-I108 HydrophobicContact CD1-CD1 4.03Å; L94-I108 HydrophobicContact CD1-CG1 4.17Å; F106-I108 HydrophobicContact CD2-CG1 4.21Å; F106-I108 HydrophobicContact CE2-CD1 4.42Å; F106-I108 HydrophobicContact CE2-CG1 4.18Å; I108-I110 HydrophobicContact CG2-CG1 4.21Å; I108-T134 PolarHBondContact N-O 2.95Å; I108-L135 HydrophobicContact CB-CD1 4.38Å; I108-L135 HydrophobicContact CB-CG 4.2Å; I108-L135 HydrophobicContact CG2-CD1 4.39Å; I108-L135 HydrophobicContact CG2-CG 4.39Å; I108-L135 CarbonylContact O-C 3.54Å; I108-L135 WeakPolarHBondContact O-CA 3.29Å; I108-R136 PolarHBondContact O-N 3.48Å
109I97.6Very high96.5Very high0 Ų050.7 Ų50.70%026%0.258CS..EExtended strand (participates in β ladder)trans-116106174.1-54.9177.5000108.1V72 I73 I74 V111 R136 I138 A157V72-I109 PolarHBondContact O-N 3.01Å; I73-I109 WeakPolarHBondContact CA-O 3.38Å; I74-I109 PolarHBondContact N-O 3.4Å; I109-V111 HydrophobicContact CG2-CG2 4.01Å; I109-R136 WeakPolarHBondContact CA-O 3.36Å; I109-I138 HydrophobicContact CG2-CD1 3.7Å; I109-I138 HydrophobicContact CG2-CG1 4.13Å; I109-A157 HydrophobicContact CD1-CB 3.94Å
110I98.1Very high96.4Very high0 Ų047.7 Ų47.70%024%0.242CC..EExtended strand (participates in β ladder)trans-84.6123.6171.1-56.3172.5000107.8I74 A76 L83 L87 I108 A123 L135 R136 V137 I138I74-I110 HydrophobicContact CB-CG1 4.46Å; I74-I110 WeakPolarHBondContact O-CA 3.29Å; A76-I110 HydrophobicContact CB-CG2 4.23Å; L83-I110 HydrophobicContact CD2-CG2 4.45Å; L87-I110 HydrophobicContact CD1-CD1 3.59Å; L87-I110 HydrophobicContact CD2-CD1 3.8Å; L87-I110 HydrophobicContact CD2-CG1 4.15Å; L87-I110 HydrophobicContact CG-CD1 4.31Å; I108-I110 HydrophobicContact CG2-CG1 4.21Å; I110-A123 HydrophobicContact CD1-CB 3.9Å; I110-A123 HydrophobicContact CG2-CB 4.04Å; I110-L135 HydrophobicContact CD1-CD1 4.2Å; I110-L135 HydrophobicContact CD1-CD2 3.91Å; I110-L135 HydrophobicContact CD1-CG 4.42Å; I110-L135 HydrophobicContact CG1-CD2 4.39Å; I110-R136 PolarHBondContact N-O 3Å; I110-V137 HydrophobicContact CB-CG2 4.49Å; I110-V137 WeakPolarHBondContact O-CA 3.42Å; I110-I138 PolarHBondContact O-N 2.95Å
111V97.5Very high96.3Very high0 Ų047.3 Ų47.30%023%0.228CC..EExtended strand (participates in β ladder)trans-108.9101.6176.1-1710000109.1I73 I74 A76 I109 D113 I138 L140 A149 M152I73-V111 HydrophobicContact CG2-CG2 4.36Å; I74-V111 PolarHBondContact O-N 3.25Å; A76-V111 PolarHBondContact N-O 2.94Å; I109-V111 HydrophobicContact CG2-CG2 4.01Å; V111-D113 PolarHBondContact O-N 2.83Å; V111-I138 CarbonylContact C-O 3.48Å; V111-I138 WeakPolarHBondContact CA-O 3.41Å; V111-L140 HydrophobicContact CG1-CD1 4.4Å; V111-L140 HydrophobicContact CG1-CD2 3.88Å; V111-L140 HydrophobicContact CG1-CG 4.13Å; V111-A149 HydrophobicContact CB-CB 4.22Å; V111-A149 HydrophobicContact CG1-CB 3.85Å; V111-A149 WeakPolarHBondContact CG1-O 3.42Å; V111-A149 WeakPolarHBondContact CG2-O 3.45Å; V111-M152 HydrophobicContact CG1-CB 4.27Å; V111-M152 HydrophobicContact CG1-CG 4.41Å
112N97.5Very high96.3Very high4 Ų445 Ų452%0.02122%0.215CC..EExtended strand (participates in β ladder)trans-74.3108174.3175.750.9000109.9A76 G114 S115 L120 I138 S139 L140A76-N112 WeakPolarHBondContact O-CA 3.42Å; N112-G114 PolarHBondContact O-N 3.35Å; N112-S115 WeakPolarHBondContact OD1-CB 3.19Å; N112-S115 PolarHBondContact OD1-N 2.93Å; N112-S115 PolarHBondContact OD1-OG 2.88Å; N112-L120 HydrophobicContact CB-CD1 4.09Å; N112-I138 PolarHBondContact N-O 3.22Å; N112-S139 PolarHBondContact ND2-OG 3.1Å; N112-L140 PolarHBondContact O-N 3.42Å
113D96.9Very high96.5Very high5 Ų537.9 Ų37.93%0.02718%0.184CC..  trans-82.151.4-179.1-17425.9000111.5A76 Y77 V111 L140 N143 R144 G145 A149A76-D113 PolarHBondContact O-N 3.01Å; Y77-D113 WeakPolarHBondContact CD2-O 3.34Å; V111-D113 PolarHBondContact O-N 2.83Å; D113-L140 HydrophobicContact CB-CD1 4.44Å; D113-L140 WeakPolarHBondContact OD1-CD1 3.4Å; D113-N143 VanDerWaalsContact CG-ND2 3.28Å; D113-N143 WeakPolarHBondContact O-CA 3.34Å; D113-N143 WeakPolarHBondContact O-CB 3.42Å; D113-N143 PolarHBondContact O-ND2 3.32Å; D113-N143 PolarHBondContact OD2-ND2 3.03Å; D113-R144 PolarHBondContact OD1-N 3.38Å; D113-G145 PolarHBondContact OD1-N 2.89Å; D113-G145 WeakPolarHBondContact OD2-CA 3.47Å; D113-G145 PolarHBondContact OD2-N 3.46Å; D113-A149 HydrophobicContact CB-CB 3.95Å
114G95.3Very high96.5Very high15 Ų1530.9 Ų30.916%0.15515%0.154CC..SBendtrans65.443.6178.900000114.2Y77 N112Y77-G114 WeakPolarHBondContact CE2-O 3.35Å; N112-G114 PolarHBondContact O-N 3.35Å
115S96.4Very high96.4Very high21 Ų2137.5 Ų37.515%0.14718%0.183CC..  trans-55.9147.3176.5-58.10000112.2Y77 N78 N112Y77-S115 WeakPolarHBondContact CA-OG 3.39Å; N78-S115 PolarHBondContact N-OG 3.21Å; N78-S115 VanDerWaalsContact OD1-CA 3.31Å; N78-S115 WeakPolarHBondContact OD1-CA 3.28Å; N78-S115 WeakPolarHBondContact OD1-CB 3.46Å; N112-S115 WeakPolarHBondContact OD1-CB 3.19Å; N112-S115 PolarHBondContact OD1-N 2.93Å; N112-S115 PolarHBondContact OD1-OG 2.88Å
116K95.3Very high96.3Very high183 Ų18336.7 Ų36.780%0.79618%0.175SC*.SBendtrans-104.6-8.8177.4-61.4-174.9178.7-175.50113.2N78N78-K116 PolarHBondContact OD1-N 2.88Å
117D95.2Very high96.1Very high46 Ų4636.6 Ų36.625%0.24618%0.175CC..SBendtrans-98.2-169.2173.2701.7000111N78 V80 T119N78-D117 VanDerWaalsContact CA-CG 3.49Å; N78-D117 WeakPolarHBondContact CA-OD1 3.3Å; N78-D117 WeakPolarHBondContact CA-OD2 3.41Å; N78-D117 WeakPolarHBondContact CB-OD2 3.4Å; N78-D117 PolarHBondContact OD1-N 3.45Å; V80-D117 WeakPolarHBondContact CB-OD2 3.09Å; V80-D117 WeakPolarHBondContact CG1-OD2 3.17Å; D117-T119 VanDerWaalsContact CG-OG1 3.24Å; D117-T119 PolarHBondContact O-N 2.99Å; D117-T119 VanDerWaalsContact O-N 3.14Å; D117-T119 WeakPolarHBondContact OD1-CB 3.37Å; D117-T119 PolarHBondContact OD1-N 3.26Å; D117-T119 PolarHBondContact OD1-OG1 3.25Å; D117-T119 PolarHBondContact OD2-OG1 3.47Å
118H95.8Very high96Very high110 Ų11044 Ų4451%0.50921%0.207SC..THydrogen-bonded Turntrans-79.216.8-179-56.7-69.5000114.4V80 L120 E121 I122V80-H118 HydrophobicContact CG2-CB 4.16Å; H118-L120 VanDerWaalsContact C-N 3.28Å; H118-L120 PolarHBondContact O-N 2.88Å; H118-E121 HydrophobicContact CB-CB 4.45Å; H118-E121 IonicContact CE1-OE1 3.63Å; H118-E121 IonicContact CG-OE1 3.16Å; H118-E121 IonicContact CG-OE2 3.73Å; H118-E121 VanDerWaalsContact ND1-CD 3.26Å; H118-E121 IonicContact ND1-OE1 2.81Å; H118-E121 PolarHBondContact ND1-OE1 3.37Å; H118-E121 IonicContact ND1-OE2 3.3Å; H118-E121 PolarHBondContact ND1-OE2 3.32Å; H118-E121 PolarHBondContact O-N 2.95Å; H118-I122 PolarHBondContact O-N 3.41Å
119T96.2Very high95.8Very high0 Ų051 Ų510%023%0.233CC..Hα-helixtrans-56.2-42.8178.2-62.70000111.9A76 E79 V80 L83 D117 I122 A123A76-T119 HydrophobicContact CB-CG2 3.91Å; E79-T119 HydrophobicContact CB-CG2 4.28Å; E79-T119 PolarHBondContact N-OG1 3.14Å; V80-T119 PolarHBondContact N-OG1 3.14Å; V80-T119 VanDerWaalsContact N-OG1 3.17Å; L83-T119 HydrophobicContact CD2-CG2 3.86Å; D117-T119 VanDerWaalsContact CG-OG1 3.24Å; D117-T119 PolarHBondContact O-N 2.99Å; D117-T119 VanDerWaalsContact O-N 3.14Å; D117-T119 WeakPolarHBondContact OD1-CB 3.37Å; D117-T119 PolarHBondContact OD1-N 3.26Å; D117-T119 PolarHBondContact OD1-OG1 3.25Å; D117-T119 PolarHBondContact OD2-OG1 3.47Å; T119-I122 PolarHBondContact O-N 2.94Å; T119-A123 WeakPolarHBondContact O-CB 3.21Å; T119-A123 PolarHBondContact O-N 3.49Å
120L94.7Very high95.7Very high46 Ų4652.7 Ų52.724%0.24124%0.241CC..Hα-helixtrans-64.3-41.8179.4-178.259.8000111.8N112 H118 I122 A123 H124 V137N112-L120 HydrophobicContact CB-CD1 4.09Å; H118-L120 VanDerWaalsContact C-N 3.28Å; H118-L120 PolarHBondContact O-N 2.88Å; L120-I122 PolarHBondContact O-N 3.5Å; L120-A123 PolarHBondContact O-N 3.4Å; L120-H124 WeakPolarHBondContact CD1-NE2 3.36Å; L120-H124 PolarHBondContact O-CD2 3.22Å; L120-H124 PolarHBondContact O-N 2.82Å; L120-V137 HydrophobicContact CD1-CG1 3.78Å
121E95.2Very high95.4Very high103 Ų10353.4 Ų53.448%0.48125%0.249SC..Hα-helixtrans-63.7-41.7177.2-64.9173.6-151.700111.8H118 H124 K125H118-E121 HydrophobicContact CB-CB 4.45Å; H118-E121 IonicContact CE1-OE1 3.63Å; H118-E121 IonicContact CG-OE1 3.16Å; H118-E121 IonicContact CG-OE2 3.73Å; H118-E121 VanDerWaalsContact ND1-CD 3.26Å; H118-E121 IonicContact ND1-OE1 2.81Å; H118-E121 PolarHBondContact ND1-OE1 3.37Å; H118-E121 IonicContact ND1-OE2 3.3Å; H118-E121 PolarHBondContact ND1-OE2 3.32Å; H118-E121 PolarHBondContact O-N 2.95Å; E121-H124 PolarHBondContact O-N 3.27Å; E121-K125 WeakPolarHBondContact O-CG 3.32Å; E121-K125 PolarHBondContact O-N 3.27Å
122I95.7Very high95.2Very high29 Ų2954.3 Ų54.315%0.14926%0.255CS..Hα-helixtrans-61-48.9174-70.7-176.9000110V80 P84 H118 T119 L120 H124 K125 Y126V80-I122 HydrophobicContact CB-CD1 4.28Å; V80-I122 HydrophobicContact CG2-CD1 3.38Å; V80-I122 HydrophobicContact CG2-CG1 4.43Å; V80-I122 WeakPolarHBondContact O-CD1 3.49Å; P84-I122 HydrophobicContact CG-CD1 4.1Å; P84-I122 HydrophobicContact CG-CG2 4.01Å; H118-I122 PolarHBondContact O-N 3.41Å; T119-I122 PolarHBondContact O-N 2.94Å; L120-I122 PolarHBondContact O-N 3.5Å; I122-H124 VanDerWaalsContact C-N 3.28Å; I122-H124 PolarHBondContact O-N 3.16Å; I122-K125 WeakPolarHBondContact O-CB 3.47Å; I122-K125 PolarHBondContact O-N 3.5Å; I122-Y126 HydrophobicContact CG2-CD2 3.98Å; I122-Y126 HydrophobicContact CG2-CE2 3.9Å; I122-Y126 WeakPolarHBondContact O-CD2 3.47Å; I122-Y126 PolarHBondContact O-N 2.82Å; I122-Y126 VanDerWaalsContact O-N 3.1Å
123A95.5Very high94.9Very high0 Ų058 Ų580%028%0.275CS..Hα-helixtrans-57-42.4178.700000111.7I110 T119 L120 K125 Y126 C127 V137I110-A123 HydrophobicContact CD1-CB 3.9Å; I110-A123 HydrophobicContact CG2-CB 4.04Å; T119-A123 WeakPolarHBondContact O-CB 3.21Å; T119-A123 PolarHBondContact O-N 3.49Å; L120-A123 PolarHBondContact O-N 3.4Å; A123-K125 PolarHBondContact O-N 3.28Å; A123-Y126 PolarHBondContact O-N 3.33Å; A123-C127 WeakPolarHBondContact O-CB 3.44Å; A123-C127 PolarHBondContact O-N 2.91Å; A123-V137 HydrophobicContact CB-CG1 3.97Å; A123-V137 HydrophobicContact CB-CG2 3.86Å
124H94.3Very high94.8Very high37 Ų3759 Ų5917%0.17128%0.281CS..Hα-helixtrans-65.2-35.4174.9-74.7-53.8000113.6Y48 L120 E121 I122 Y126 C127 K128Y48-H124 WeakPolarHBondContact CB-CE1 3.19Å; Y48-H124 AromaticContact CD1-CE1 3.82Å; Y48-H124 AromaticContact CD1-ND1 3.37Å; Y48-H124 WeakPolarHBondContact CD1-ND1 3.49Å; Y48-H124 AromaticContact CG-CE1 3.69Å; Y48-H124 AromaticContact CG-ND1 3.74Å; L120-H124 WeakPolarHBondContact CD1-NE2 3.36Å; L120-H124 PolarHBondContact O-CD2 3.22Å; L120-H124 PolarHBondContact O-N 2.82Å; E121-H124 PolarHBondContact O-N 3.27Å; I122-H124 VanDerWaalsContact C-N 3.28Å; I122-H124 PolarHBondContact O-N 3.16Å; H124-Y126 VanDerWaalsContact C-N 3.35Å; H124-C127 WeakPolarHBondContact O-CB 3.13Å; H124-C127 PolarHBondContact O-N 3.4Å; H124-K128 WeakPolarHBondContact O-CB 3.31Å; H124-K128 PolarHBondContact O-N 3.15Å
125K94.9Very high94.9Very high144 Ų14458.2 Ų58.263%0.62627%0.273SS*.Hα-helixtrans-62.1-42.6174.1-72.8172.5-176.3174.10111.7E121 I122 A123 R129E121-K125 WeakPolarHBondContact O-CG 3.32Å; E121-K125 PolarHBondContact O-N 3.27Å; I122-K125 WeakPolarHBondContact O-CB 3.47Å; I122-K125 PolarHBondContact O-N 3.5Å; A123-K125 PolarHBondContact O-N 3.28Å; K125-R129 PolarHBondContact O-N 3.03Å
126Y95.7Very high94.9Very high26 Ų2657.6 Ų57.610%0.10227%0.268CS..Hα-helixtrans-65.7-44.9173.8-81.9-97.8000111.1P84 L87 T88 L91 I122 A123 H124 K128 R129 E130P84-Y126 HydrophobicContact CB-CE2 4.42Å; P84-Y126 PolarHBondContact O-OH 3.38Å; L87-Y126 HydrophobicContact CB-CD1 4.07Å; L87-Y126 HydrophobicContact CB-CE1 3.81Å; L87-Y126 HydrophobicContact CD1-CD1 4.03Å; L87-Y126 HydrophobicContact CD1-CD2 3.91Å; L87-Y126 HydrophobicContact CD1-CE1 4.33Å; L87-Y126 HydrophobicContact CD1-CE2 4.24Å; L87-Y126 HydrophobicContact CD1-CG 3.83Å; T88-Y126 PolarHBondContact OG1-OH 3.06Å; T88-Y126 VanDerWaalsContact OG1-OH 3.06Å; L91-Y126 HydrophobicContact CD1-CD1 3.69Å; L91-Y126 HydrophobicContact CD1-CE1 4.13Å; I122-Y126 HydrophobicContact CG2-CD2 3.98Å; I122-Y126 HydrophobicContact CG2-CE2 3.9Å; I122-Y126 WeakPolarHBondContact O-CD2 3.47Å; I122-Y126 PolarHBondContact O-N 2.82Å; I122-Y126 VanDerWaalsContact O-N 3.1Å; A123-Y126 PolarHBondContact O-N 3.33Å; H124-Y126 VanDerWaalsContact C-N 3.35Å; Y126-K128 VanDerWaalsContact C-N 3.32Å; Y126-K128 PolarHBondContact O-N 3.49Å; Y126-R129 PolarHBondContact O-N 2.98Å; Y126-E130 WeakPolarHBondContact O-CG 3.02Å; Y126-E130 PolarHBondContact O-N 3.42Å
127C94.4Very high94.9Very high0 Ų049 Ų490%023%0.231CC..Hα-helixtrans-54.7-47.4175.9-173.70000111.9A123 H124 R129 E130 G131 L135 V137A123-C127 WeakPolarHBondContact O-CB 3.44Å; A123-C127 PolarHBondContact O-N 2.91Å; H124-C127 WeakPolarHBondContact O-CB 3.13Å; H124-C127 PolarHBondContact O-N 3.4Å; C127-R129 PolarHBondContact O-N 3.42Å; C127-E130 PolarHBondContact O-N 3.06Å; C127-G131 WeakPolarHBondContact O-CA 3.22Å; C127-G131 PolarHBondContact O-N 2.94Å; C127-L135 HydrophobicContact CB-CD2 3.68Å; C127-L135 PolarHBondContact SG-O 3.38Å; C127-V137 HydrophobicContact CB-CG2 3.91Å
128K94.6Very high94.9Very high156 Ų15646.9 Ų46.968%0.67822%0.219SC*.Hα-helixtrans-61.5-30.9177.3-176.6171.1-177.8174.90113.5P50 H124 Y126P50-K128 HydrophobicContact CB-CB 3.83Å; P50-K128 HydrophobicContact CB-CG 4.08Å; P50-K128 HydrophobicContact CG-CB 4.41Å; H124-K128 WeakPolarHBondContact O-CB 3.31Å; H124-K128 PolarHBondContact O-N 3.15Å; Y126-K128 VanDerWaalsContact C-N 3.32Å; Y126-K128 PolarHBondContact O-N 3.49Å
129R95.1Very high94.8Very high145 Ų14543.1 Ų43.155%0.54721%0.206SC..Hα-helixtrans-79.6-41.2179.7-170.7-177.668.9-152.90.6112.3K125 Y126 C127K125-R129 PolarHBondContact O-N 3.03Å; Y126-R129 PolarHBondContact O-N 2.98Å; C127-R129 PolarHBondContact O-N 3.42Å
130E94.8Very high94.8Very high36 Ų3643.3 Ų43.317%0.16821%0.206CC..Hα-helixtrans-88.7-20.5-174.4-55.1-55.6138.700113.5L91 H95 Y126 C127 T134 L135L91-E130 HydrophobicContact CD1-CG 3.93Å; L91-E130 HydrophobicContact CD2-CG 3.94Å; H95-E130 IonicContact CD2-OE2 2.99Å; H95-E130 IonicContact CE1-OE2 3.56Å; H95-E130 IonicContact NE2-OE2 3.62Å; H95-E130 PolarHBondContact NE2-OE2 3.32Å; Y126-E130 WeakPolarHBondContact O-CG 3.02Å; Y126-E130 PolarHBondContact O-N 3.42Å; C127-E130 PolarHBondContact O-N 3.06Å; E130-T134 HydrophobicContact CB-CG2 4.19Å; E130-T134 PolarHBondContact O-OG1 2.82Å; E130-L135 HydrophobicContact CB-CB 3.92Å; E130-L135 HydrophobicContact CG-CB 4.31Å; E130-L135 HydrophobicContact CG-CD1 4.25Å
131G93.5Very high94.7Very high15 Ų1545.8 Ų45.816%0.15522%0.22CC..  trans83.3154.2-17200000112.7C127 D133 T134 L135C127-G131 WeakPolarHBondContact O-CA 3.22Å; C127-G131 PolarHBondContact O-N 2.94Å; G131-D133 VanDerWaalsContact C-N 3.25Å; G131-D133 PolarHBondContact O-N 2.85Å; G131-T134 PolarHBondContact O-N 3.41Å; G131-T134 VanDerWaalsContact O-N 3.17Å; G131-L135 PolarHBondContact O-N 2.83Å
132S91.7Very high94.7Very high20 Ų2049.6 Ų49.614%0.1423%0.23CC..THydrogen-bonded Turntrans-71.3-14.9-173540000114.9D49 R136D49-S132 VanDerWaalsContact CG-OG 3.31Å; D49-S132 PolarHBondContact OD1-OG 3.46Å; S132-R136 WeakPolarHBondContact O-CG 3.27Å
133D92.3Very high94.7Very high82 Ų8250.2 Ų50.244%0.43923%0.233SC..THydrogen-bonded Turntrans-78-28.8172.2-172.154.4000112.8K68 G131 R158K68-D133 IonicContact NZ-OD1 2.81Å; K68-D133 IonicContact NZ-OD2 3.17Å; K68-D133 PolarHBondContact NZ-OD2 2.86Å; G131-D133 VanDerWaalsContact C-N 3.25Å; G131-D133 PolarHBondContact O-N 2.85Å; D133-R158 PolarHBondContact O-NH2 3.36Å; D133-R158 IonicContact OD1-CZ 2.9Å; D133-R158 IonicContact OD1-NH1 2.75Å; D133-R158 PolarHBondContact OD1-NH1 2.9Å; D133-R158 IonicContact OD1-NH2 3.42Å
134T95.2Very high94.6Very high24 Ų2452.5 Ų52.515%0.14724%0.242CC..THydrogen-bonded Turntrans-95-41.1-179-55.50000111.5F106 E107 I108 E130 G131F106-T134 HydrophobicContact CD2-CG2 4.48Å; F106-T134 HydrophobicContact CE2-CG2 3.64Å; F106-T134 HydrophobicContact CZ-CG2 3.73Å; E107-T134 CarbonylContact C-O 3.54Å; E107-T134 VanDerWaalsContact CA-O 3.23Å; E107-T134 WeakPolarHBondContact CA-O 3.22Å; I108-T134 PolarHBondContact N-O 2.95Å; E130-T134 HydrophobicContact CB-CG2 4.19Å; E130-T134 PolarHBondContact O-OG1 2.82Å; G131-T134 PolarHBondContact O-N 3.41Å; G131-T134 VanDerWaalsContact O-N 3.17Å
135L97Very high94.6Very high0 Ų051 Ų510%024%0.236CC..EExtended strand (participates in β ladder)trans-132.3126.7-177.8-166.2152.8000110.9L91 I108 I110 C127 E130 G131 V137L91-L135 HydrophobicContact CD1-CD1 4.48Å; I108-L135 HydrophobicContact CB-CD1 4.38Å; I108-L135 HydrophobicContact CB-CG 4.2Å; I108-L135 HydrophobicContact CG2-CD1 4.39Å; I108-L135 HydrophobicContact CG2-CG 4.39Å; I108-L135 CarbonylContact O-C 3.54Å; I108-L135 WeakPolarHBondContact O-CA 3.29Å; I110-L135 HydrophobicContact CD1-CD1 4.2Å; I110-L135 HydrophobicContact CD1-CD2 3.91Å; I110-L135 HydrophobicContact CD1-CG 4.42Å; I110-L135 HydrophobicContact CG1-CD2 4.39Å; C127-L135 HydrophobicContact CB-CD2 3.68Å; C127-L135 PolarHBondContact SG-O 3.38Å; E130-L135 HydrophobicContact CB-CB 3.92Å; E130-L135 HydrophobicContact CG-CB 4.31Å; E130-L135 HydrophobicContact CG-CD1 4.25Å; G131-L135 PolarHBondContact O-N 2.83Å; L135-V137 HydrophobicContact CD2-CG2 3.82Å
136R95.5Very high94.6Very high8 Ų845.6 Ų45.63%0.0321%0.213CC..EExtended strand (participates in β ladder)trans-119.5143.8176.3-63.6-173.3-71.2156.33.2110.6F47 E107 I108 I109 I110 S132 S156F47-R136 HydrophobicContact CB-CB 4.25Å; F47-R136 HydrophobicContact CD2-CB 4.27Å; F47-R136 HydrophobicContact CD2-CG 3.87Å; F47-R136 HydrophobicContact CE2-CG 4.22Å; F47-R136 HydrophobicContact CG-CB 4.32Å; F47-R136 HydrophobicContact CG-CG 4.23Å; E107-R136 VanDerWaalsContact CD-NH2 3.32Å; E107-R136 IonicContact OE1-NH2 2.75Å; E107-R136 PolarHBondContact OE1-NH2 3.42Å; E107-R136 IonicContact OE2-CZ 3.59Å; E107-R136 IonicContact OE2-NE 3.82Å; E107-R136 PolarHBondContact OE2-NE 3.35Å; E107-R136 IonicContact OE2-NH2 3.78Å; E107-R136 PolarHBondContact OE2-NH2 2.88Å; I108-R136 PolarHBondContact O-N 3.48Å; I109-R136 WeakPolarHBondContact CA-O 3.36Å; I110-R136 PolarHBondContact N-O 3Å; S132-R136 WeakPolarHBondContact O-CG 3.27Å; R136-S156 PolarHBondContact NH2-O 2.85Å
137V95.7Very high94.6Very high3 Ų344.4 Ų44.42%0.01821%0.208CC..EExtended strand (participates in β ladder)trans-117.4120176.2-175.30000108.6F47 I110 L120 A123 C127 L135F47-V137 WeakPolarHBondContact CA-O 3.19Å; F47-V137 WeakPolarHBondContact CB-O 3.39Å; I110-V137 HydrophobicContact CB-CG2 4.49Å; I110-V137 WeakPolarHBondContact O-CA 3.42Å; L120-V137 HydrophobicContact CD1-CG1 3.78Å; A123-V137 HydrophobicContact CB-CG1 3.97Å; A123-V137 HydrophobicContact CB-CG2 3.86Å; C127-V137 HydrophobicContact CB-CG2 3.91Å; L135-V137 HydrophobicContact CD2-CG2 3.82Å
138I94.5Very high94.7Very high0 Ų044.5 Ų44.50%021%0.209CC..EExtended strand (participates in β ladder)trans-108.5130172.1-57.2174.1000106.8F47 L58 I109 I110 V111 N112 L140 M152F47-I138 HydrophobicContact CB-CG1 4.49Å; L58-I138 HydrophobicContact CD1-CD1 3.74Å; L58-I138 HydrophobicContact CD1-CG1 4.15Å; L58-I138 HydrophobicContact CD2-CD1 4.24Å; I109-I138 HydrophobicContact CG2-CD1 3.7Å; I109-I138 HydrophobicContact CG2-CG1 4.13Å; I110-I138 PolarHBondContact O-N 2.95Å; V111-I138 CarbonylContact C-O 3.48Å; V111-I138 WeakPolarHBondContact CA-O 3.41Å; N112-I138 PolarHBondContact N-O 3.22Å; I138-L140 HydrophobicContact CG2-CD2 4.39Å; I138-M152 HydrophobicContact CD1-CE 4.27Å; I138-M152 HydrophobicContact CG2-CG 4.03Å
139S94.6Very high94.9Very high32 Ų3237.1 Ų37.122%0.22418%0.177CC..EExtended strand (participates in β ladder)trans-115.5127.2178.1-169.80000110.4N112N112-S139 PolarHBondContact ND2-OG 3.1Å
140L95.3Very high95Very high3 Ų330.2 Ų30.22%0.01615%0.151CC..  trans-82.3145.1173.5-44.8-169.2000109.5E44 V111 N112 D113 I138 R142 A149 M152E44-L140 HydrophobicContact CG-CD2 4.44Å; E44-L140 WeakPolarHBondContact OE1-CA 3.42Å; V111-L140 HydrophobicContact CG1-CD1 4.4Å; V111-L140 HydrophobicContact CG1-CD2 3.88Å; V111-L140 HydrophobicContact CG1-CG 4.13Å; N112-L140 PolarHBondContact O-N 3.42Å; D113-L140 HydrophobicContact CB-CD1 4.44Å; D113-L140 WeakPolarHBondContact OD1-CD1 3.4Å; I138-L140 HydrophobicContact CG2-CD2 4.39Å; L140-R142 PolarHBondContact O-N 3.19Å; L140-A149 HydrophobicContact CD1-CB 4.37Å; L140-M152 HydrophobicContact CD2-CB 4.21Å; L140-M152 HydrophobicContact CD2-CG 3.69Å
141D93.7Very high95.1Very high98 Ų9829.1 Ų29.152%0.52415%0.146SC..SBendtrans-65.3-25.8-176.2-66.4-30.3000112.7S41 T43 E44S41-D141 WeakPolarHBondContact CB-OD2 3.48Å; S41-D141 PolarHBondContact OG-OD2 3.5Å; T43-D141 PolarHBondContact OG1-OD1 3.31Å; E44-D141 PolarHBondContact OE1-N 2.92Å
142R94.6Very high95.2Very high183 Ų18328.9 Ų28.969%0.69114%0.14SC*.SBendtrans-151.9161.7178.164.7-178.8-179.5179.5-0.6110.6L140 R144L140-R142 PolarHBondContact O-N 3.19Å; R142-R144 HydrophobicContact CG-CG 4.33Å; R142-R144 PolarHBondContact O-N 2.98Å; R142-R144 VanDerWaalsContact O-N 3.09Å
143N95Very high95.5Very high42 Ų4227.9 Ų27.923%0.22513%0.134CC..  trans-62.9110.6171.4-174.4-98.7000111.6Y77 D113Y77-N143 HydrophobicContact CD2-CB 4.36Å; Y77-N143 WeakPolarHBondContact CD2-ND2 3.35Å; Y77-N143 HydrophobicContact CE2-CB 3.81Å; Y77-N143 VanDerWaalsContact CE2-ND2 3.33Å; Y77-N143 WeakPolarHBondContact CE2-ND2 3.26Å; Y77-N143 VanDerWaalsContact CG-ND2 3.34Å; D113-N143 VanDerWaalsContact CG-ND2 3.28Å; D113-N143 WeakPolarHBondContact O-CA 3.34Å; D113-N143 WeakPolarHBondContact O-CB 3.42Å; D113-N143 PolarHBondContact O-ND2 3.32Å; D113-N143 PolarHBondContact OD2-ND2 3.03Å
144R93.9Very high95.7Very high48 Ų4824 Ų2418%0.18111%0.113CC..  trans-101.2-32.4175.1-74.5-174-87.9-178.2-0.7111.6E44 D113 R142 A148E44-R144 IonicContact OE1-CZ 3.58Å; E44-R144 IonicContact OE1-NE 3.98Å; E44-R144 IonicContact OE1-NH2 3.74Å; E44-R144 PolarHBondContact OE1-NH2 3.21Å; E44-R144 IonicContact OE2-CZ 2.8Å; E44-R144 IonicContact OE2-NH1 3.92Å; E44-R144 PolarHBondContact OE2-NH1 3.25Å; E44-R144 IonicContact OE2-NH2 3.47Å; E44-R144 PolarHBondContact OE2-NH2 2.86Å; D113-R144 PolarHBondContact OD1-N 3.38Å; R142-R144 HydrophobicContact CG-CG 4.33Å; R142-R144 PolarHBondContact O-N 2.98Å; R142-R144 VanDerWaalsContact O-N 3.09Å; R144-A148 HydrophobicContact CB-CB 3.59Å
145G94.1Very high95.7Very high5 Ų523.2 Ų23.25%0.05211%0.108CC..  trans126162.9179.500000112.3D113 G147 A148 A149 D261D113-G145 PolarHBondContact OD1-N 2.89Å; D113-G145 WeakPolarHBondContact OD2-CA 3.47Å; D113-G145 PolarHBondContact OD2-N 3.46Å; G145-G147 VanDerWaalsContact C-N 3.32Å; G145-G147 PolarHBondContact O-N 3.42Å; G145-A148 PolarHBondContact O-N 2.75Å; G145-A148 VanDerWaalsContact O-N 3.12Å; G145-A149 PolarHBondContact O-N 3.13Å; G145-D261 CarbonylContact C-O 3.58Å; G145-D261 WeakPolarHBondContact CA-O 3.34Å
146K95.5Very high95.6Very high32 Ų3223.2 Ų23.214%0.13911%0.108CC..Hα-helixtrans-53.2-44.6-177.8-177178.8174-174.40113.3P75 A148 A149 V150 D166 D261 W263 F265P75-K146 HydrophobicContact CB-CG 4.36Å; P75-K146 HydrophobicContact CG-CG 4.17Å; K146-A148 PolarHBondContact O-N 2.98Å; K146-A149 PolarHBondContact O-N 3.47Å; K146-V150 HydrophobicContact CG-CG2 4.25Å; K146-V150 VanDerWaalsContact O-CG2 3.3Å; K146-V150 WeakPolarHBondContact O-CG2 3.32Å; K146-V150 PolarHBondContact O-N 3.49Å; K146-D166 WeakPolarHBondContact CE-OD1 3.5Å; K146-D166 IonicContact NZ-OD1 2.76Å; K146-D166 PolarHBondContact NZ-OD1 3.16Å; K146-D166 IonicContact NZ-OD2 2.74Å; K146-D166 PolarHBondContact NZ-OD2 3.09Å; K146-D261 PolarHBondContact N-O 2.88Å; K146-W263 HydrophobicContact CB-CZ3 4.47Å; K146-W263 HydrophobicContact CD-CZ3 4.43Å; K146-F265 HydrophobicContact CB-CE1 4.38Å; K146-F265 HydrophobicContact CD-CE1 3.77Å; K146-F265 HydrophobicContact CD-CZ 4.4Å; K146-F265 HydrophobicContact CG-CE1 3.79Å; K146-F265 HydrophobicContact CG-CZ 4.29Å
147G96.6Very high95.7Very high0 Ų022.9 Ų22.90%011%0.106CC..Hα-helixtrans-61.5-42178.800000113.1G145 R151 D261G145-G147 VanDerWaalsContact C-N 3.32Å; G145-G147 PolarHBondContact O-N 3.42Å; G147-R151 VanDerWaalsContact O-CB 3.22Å; G147-R151 WeakPolarHBondContact O-CB 3.38Å; G147-R151 PolarHBondContact O-N 3.42Å; G147-D261 CarbonylContact C-O 3.53Å; G147-D261 WeakPolarHBondContact CA-O 3.4Å; G147-D261 PolarHBondContact N-O 2.9Å
148A96.3Very high95.8Very high3 Ų323.7 Ų23.73%0.02511%0.109CC..Hα-helixtrans-64.7-42.4174.400000111.7R144 G145 K146 R151 M152 D261R144-A148 HydrophobicContact CB-CB 3.59Å; G145-A148 PolarHBondContact O-N 2.75Å; G145-A148 VanDerWaalsContact O-N 3.12Å; K146-A148 PolarHBondContact O-N 2.98Å; A148-R151 PolarHBondContact O-N 2.89Å; A148-M152 VanDerWaalsContact O-CB 3.25Å; A148-M152 WeakPolarHBondContact O-CB 3.22Å; A148-M152 PolarHBondContact O-N 2.87Å; A148-D261 HydrophobicContact CB-CB 3.89Å; A148-D261 PolarHBondContact N-O 2.78Å
149A97.3Very high95.9Very high0 Ų023.7 Ų23.70%011%0.109CC..Hα-helixtrans-64-46177.500000112.2P75 V111 D113 L140 G145 K146 M152 G153P75-A149 HydrophobicContact CB-CB 3.77Å; V111-A149 HydrophobicContact CB-CB 4.22Å; V111-A149 HydrophobicContact CG1-CB 3.85Å; V111-A149 WeakPolarHBondContact CG1-O 3.42Å; V111-A149 WeakPolarHBondContact CG2-O 3.45Å; D113-A149 HydrophobicContact CB-CB 3.95Å; L140-A149 HydrophobicContact CD1-CB 4.37Å; G145-A149 PolarHBondContact O-N 3.13Å; K146-A149 PolarHBondContact O-N 3.47Å; A149-M152 PolarHBondContact O-N 3.07Å; A149-G153 PolarHBondContact O-N 2.79Å
150V98.3Very high96.1Very high0 Ų027.3 Ų27.30%012%0.118CC..Hα-helixtrans-62-47.3174.8174.50000110.5P75 K146 M152 G153 M154 F164 F255 F265P75-V150 HydrophobicContact CB-CG2 3.95Å; P75-V150 HydrophobicContact CG-CG2 3.61Å; K146-V150 HydrophobicContact CG-CG2 4.25Å; K146-V150 VanDerWaalsContact O-CG2 3.3Å; K146-V150 WeakPolarHBondContact O-CG2 3.32Å; K146-V150 PolarHBondContact O-N 3.49Å; V150-M152 VanDerWaalsContact C-N 3.3Å; V150-M152 PolarHBondContact O-N 3.4Å; V150-G153 PolarHBondContact O-N 3.21Å; V150-M154 HydrophobicContact CG1-CE 4.47Å; V150-M154 HydrophobicContact CG1-CG 4.01Å; V150-M154 VanDerWaalsContact O-CB 3.31Å; V150-M154 WeakPolarHBondContact O-CB 3.2Å; V150-M154 WeakPolarHBondContact O-CG 3.45Å; V150-M154 PolarHBondContact O-N 3.13Å; V150-F164 HydrophobicContact CG1-CB 3.96Å; V150-F164 HydrophobicContact CG1-CD1 3.75Å; V150-F164 HydrophobicContact CG1-CE1 4.4Å; V150-F164 HydrophobicContact CG1-CG 3.88Å; V150-F164 HydrophobicContact CG2-CB 4.4Å; V150-F164 HydrophobicContact CG2-CD2 4.33Å; V150-F164 HydrophobicContact CG2-CG 4.29Å; V150-F255 HydrophobicContact CG1-CE1 3.72Å; V150-F255 HydrophobicContact CG1-CZ 4.06Å; V150-F265 HydrophobicContact CB-CE2 4.12Å; V150-F265 HydrophobicContact CB-CZ 4.44Å; V150-F265 HydrophobicContact CG1-CE2 4.08Å; V150-F265 HydrophobicContact CG2-CE2 4.21Å; V150-F265 HydrophobicContact CG2-CZ 4.03Å
151R97.1Very high96.2Very high14 Ų1427.5 Ų27.55%0.05312%0.119CC..Hα-helixtrans-56.3-46.8177.2-176.1171.470.7-131.2-7.2111G147 A148 M154 L155 F255 L258 D261G147-R151 VanDerWaalsContact O-CB 3.22Å; G147-R151 WeakPolarHBondContact O-CB 3.38Å; G147-R151 PolarHBondContact O-N 3.42Å; A148-R151 PolarHBondContact O-N 2.89Å; R151-M154 PolarHBondContact O-N 2.67Å; R151-L155 HydrophobicContact CG-CD1 3.78Å; R151-L155 HydrophobicContact CG-CG 4.18Å; R151-L155 WeakPolarHBondContact O-CB 3.22Å; R151-L155 VanDerWaalsContact O-CG 3.22Å; R151-L155 WeakPolarHBondContact O-CG 3.44Å; R151-L155 PolarHBondContact O-N 3.08Å; R151-F255 HydrophobicContact CB-CD1 4.29Å; R151-F255 VanDerWaalsContact CD-O 3.23Å; R151-F255 WeakPolarHBondContact CD-O 3.47Å; R151-F255 HydrophobicContact CG-CB 4.38Å; R151-F255 HydrophobicContact CG-CD1 4.47Å; R151-F255 WeakPolarHBondContact CG-O 3.48Å; R151-L258 HydrophobicContact CB-CD2 4.29Å; R151-L258 PolarHBondContact NH1-O 2.69Å; R151-D261 IonicContact CZ-OD1 3.82Å; R151-D261 IonicContact NH1-OD1 3.24Å; R151-D261 PolarHBondContact NH1-OD1 2.86Å; R151-D261 IonicContact NH2-OD1 3.18Å; R151-D261 PolarHBondContact NH2-OD1 2.8Å; R151-D261 IonicContact NH2-OD2 3.76Å
152M95.4Very high96.4Very high9 Ų922.9 Ų22.94%0.0449%0.094CC..Hα-helixtrans-60.3-49179.4-173.356.1-106.700111.4R40 L58 V111 I138 L140 A148 A149 V150 M154 L155 S156R40-M152 HydrophobicContact CG-SD 4.08Å; R40-M152 PolarHBondContact NE-SD 3.13Å; R40-M152 VanDerWaalsContact NE-SD 3.37Å; L58-M152 HydrophobicContact CD1-CE 4.27Å; V111-M152 HydrophobicContact CG1-CB 4.27Å; V111-M152 HydrophobicContact CG1-CG 4.41Å; I138-M152 HydrophobicContact CD1-CE 4.27Å; I138-M152 HydrophobicContact CG2-CG 4.03Å; L140-M152 HydrophobicContact CD2-CB 4.21Å; L140-M152 HydrophobicContact CD2-CG 3.69Å; A148-M152 VanDerWaalsContact O-CB 3.25Å; A148-M152 WeakPolarHBondContact O-CB 3.22Å; A148-M152 PolarHBondContact O-N 2.87Å; A149-M152 PolarHBondContact O-N 3.07Å; V150-M152 VanDerWaalsContact C-N 3.3Å; V150-M152 PolarHBondContact O-N 3.4Å; M152-M154 PolarHBondContact O-N 2.79Å; M152-L155 PolarHBondContact O-N 3.18Å; M152-S156 WeakPolarHBondContact CE-OG 3.36Å; M152-S156 PolarHBondContact O-N 2.72Å
153G96.8Very high96.6Very high0 Ų014.1 Ų14.10%06%0.061CC..Hα-helixtrans-62.4-43.3177.200000112.8A149 V150 S156 A157A149-G153 PolarHBondContact O-N 2.79Å; V150-G153 PolarHBondContact O-N 3.21Å; G153-S156 PolarHBondContact O-N 3.37Å; G153-A157 PolarHBondContact O-N 2.8Å
154M97.6Very high96.8Very high0 Ų012.1 Ų12.10%05%0.05CC..Hα-helixtrans-63.6-44.4179.7-73.9-76.1-178.900112L62 I73 V150 R151 M152 S156 A157 L162 F164 F246 F255L62-M154 WeakPolarHBondContact CD1-O 3.31Å; L62-M154 WeakPolarHBondContact CD2-O 3.42Å; L62-M154 VanDerWaalsContact CG-O 3.26Å; L62-M154 WeakPolarHBondContact CG-O 3.07Å; I73-M154 HydrophobicContact CB-CE 4.33Å; I73-M154 HydrophobicContact CD1-CE 3.9Å; I73-M154 HydrophobicContact CD1-CG 4.39Å; I73-M154 HydrophobicContact CD1-SD 3.7Å; I73-M154 HydrophobicContact CG1-CE 4.22Å; I73-M154 HydrophobicContact CG1-CG 4.12Å; I73-M154 HydrophobicContact CG1-SD 4.09Å; V150-M154 HydrophobicContact CG1-CE 4.47Å; V150-M154 HydrophobicContact CG1-CG 4.01Å; V150-M154 VanDerWaalsContact O-CB 3.31Å; V150-M154 WeakPolarHBondContact O-CB 3.2Å; V150-M154 WeakPolarHBondContact O-CG 3.45Å; V150-M154 PolarHBondContact O-N 3.13Å; R151-M154 PolarHBondContact O-N 2.67Å; M152-M154 PolarHBondContact O-N 2.79Å; M154-S156 PolarHBondContact O-N 2.73Å; M154-S156 VanDerWaalsContact O-N 3.11Å; M154-A157 WeakPolarHBondContact O-CB 3.44Å; M154-A157 PolarHBondContact O-N 3.07Å; M154-L162 HydrophobicContact CE-CB 4.24Å; M154-L162 HydrophobicContact SD-CB 3.69Å; M154-L162 HydrophobicContact SD-CD2 3.78Å; M154-L162 HydrophobicContact SD-CG 4.41Å; M154-F164 HydrophobicContact CE-CB 3.66Å; M154-F164 HydrophobicContact CE-CD1 3.86Å; M154-F164 HydrophobicContact CE-CG 4.27Å; M154-F246 HydrophobicContact CE-CD2 3.9Å; M154-F246 HydrophobicContact CE-CE2 4.02Å; M154-F255 HydrophobicContact CB-CB 4.2Å; M154-F255 HydrophobicContact CB-CD1 3.98Å; M154-F255 HydrophobicContact CB-CD2 3.57Å; M154-F255 HydrophobicContact CB-CE1 4.27Å; M154-F255 HydrophobicContact CB-CE2 3.91Å; M154-F255 HydrophobicContact CB-CG 3.64Å; M154-F255 HydrophobicContact CB-CZ 4.24Å; M154-F255 HydrophobicContact CE-CE2 4.09Å; M154-F255 HydrophobicContact CE-CZ 4.05Å; M154-F255 HydrophobicContact CG-CD1 4.08Å; M154-F255 HydrophobicContact CG-CD2 3.74Å; M154-F255 HydrophobicContact CG-CE1 3.84Å; M154-F255 HydrophobicContact CG-CE2 3.49Å; M154-F255 VanDerWaalsContact CG-CE2 3.49Å; M154-F255 HydrophobicContact CG-CG 4.05Å; M154-F255 HydrophobicContact CG-CZ 3.54Å; M154-F255 HydrophobicContact SD-CD2 4.12Å; M154-F255 HydrophobicContact SD-CE2 3.6Å; M154-F255 HydrophobicContact SD-CZ 4.03Å
155L95.6Very high97Very high8 Ų89.9 Ų9.94%0.0424%0.042CC..THydrogen-bonded Turntrans-70.9-1.6178.3-66.9-178.8000113.8L38 G61 L62 R151 M152 F255 H256L38-L155 HydrophobicContact CD2-CD1 4.11Å; G61-L155 VanDerWaalsContact CA-O 3.25Å; G61-L155 WeakPolarHBondContact CA-O 3.24Å; L62-L155 HydrophobicContact CD1-CD2 3.95Å; R151-L155 HydrophobicContact CG-CD1 3.78Å; R151-L155 HydrophobicContact CG-CG 4.18Å; R151-L155 WeakPolarHBondContact O-CB 3.22Å; R151-L155 VanDerWaalsContact O-CG 3.22Å; R151-L155 WeakPolarHBondContact O-CG 3.44Å; R151-L155 PolarHBondContact O-N 3.08Å; M152-L155 PolarHBondContact O-N 3.18Å; L155-F255 HydrophobicContact CD2-CB 3.9Å; L155-F255 HydrophobicContact CG-CB 4.2Å; L155-H256 VanDerWaalsContact CD2-CE1 3.45Å; L155-H256 WeakPolarHBondContact CD2-CE1 3.46Å
156S95.1Very high97.1Very high0 Ų011.3 Ų11.30%05%0.048CC..THydrogen-bonded Turntrans-120.26.7178.6-75.60000113.5R40 R136 M152 G153 M154R40-S156 PolarHBondContact NH1-OG 3.46Å; R136-S156 PolarHBondContact NH2-O 2.85Å; M152-S156 WeakPolarHBondContact CE-OG 3.36Å; M152-S156 PolarHBondContact O-N 2.72Å; G153-S156 PolarHBondContact O-N 3.37Å; M154-S156 PolarHBondContact O-N 2.73Å; M154-S156 VanDerWaalsContact O-N 3.11Å
157A97.2Very high97.2Very high0 Ų010 Ų100%04%0.043CC..  trans-89.2135.5-172.500000113.9F60 I73 I109 G153 M154 L162 R248F60-A157 WeakPolarHBondContact CD1-O 3.11Å; F60-A157 WeakPolarHBondContact CE1-O 3.4Å; I73-A157 HydrophobicContact CD1-CB 4.11Å; I109-A157 HydrophobicContact CD1-CB 3.94Å; G153-A157 PolarHBondContact O-N 2.8Å; M154-A157 WeakPolarHBondContact O-CB 3.44Å; M154-A157 PolarHBondContact O-N 3.07Å; A157-L162 HydrophobicContact CB-CD2 3.36Å; A157-L162 HydrophobicContact CB-CG 4.4Å; A157-R248 PolarHBondContact O-NH1 2.77Å
158R96.5Very high97Very high21 Ų2111.7 Ų11.78%0.0795%0.052CC..  trans-87.6-10.8-178.6-66178.9-65.81634.6115.5F60 P66 E67 K68 S71 E107 D133F60-R158 HydrophobicContact CB-CG 4.12Å; F60-R158 HydrophobicContact CD1-CB 4.17Å; F60-R158 HydrophobicContact CD1-CG 3.5Å; F60-R158 VanDerWaalsContact CD1-CG 3.5Å; F60-R158 HydrophobicContact CD2-CG 4.08Å; F60-R158 HydrophobicContact CE1-CB 4.09Å; F60-R158 HydrophobicContact CE1-CG 3.91Å; F60-R158 HydrophobicContact CE2-CG 4.4Å; F60-R158 HydrophobicContact CG-CG 3.62Å; F60-R158 HydrophobicContact CZ-CB 4.37Å; F60-R158 HydrophobicContact CZ-CG 4.32Å; P66-R158 CarbonylContact C-O 3.6Å; P66-R158 VanDerWaalsContact CA-O 3.22Å; P66-R158 WeakPolarHBondContact CA-O 3.28Å; P66-R158 WeakPolarHBondContact CB-O 3.43Å; E67-R158 HydrophobicContact CB-CB 4.37Å; E67-R158 PolarHBondContact N-O 2.96Å; E67-R158 WeakPolarHBondContact OE2-CD 3.18Å; K68-R158 HydrophobicContact CB-CB 4.41Å; K68-R158 HydrophobicContact CG-CB 4.09Å; K68-R158 PolarHBondContact N-O 3.36Å; S71-R158 PolarHBondContact OG-N 2.96Å; E107-R158 WeakPolarHBondContact OE1-CB 3.35Å; E107-R158 PolarHBondContact OE1-N 2.85Å; E107-R158 IonicContact OE1-NE 3.95Å; E107-R158 IonicContact OE2-CZ 2.72Å; E107-R158 VanDerWaalsContact OE2-CZ 3.24Å; E107-R158 IonicContact OE2-NE 4Å; E107-R158 PolarHBondContact OE2-NE 2.87Å; E107-R158 IonicContact OE2-NH2 3.55Å; E107-R158 PolarHBondContact OE2-NH2 3.37Å; D133-R158 PolarHBondContact O-NH2 3.36Å; D133-R158 IonicContact OD1-CZ 2.9Å; D133-R158 IonicContact OD1-NH1 2.75Å; D133-R158 PolarHBondContact OD1-NH1 2.9Å; D133-R158 IonicContact OD1-NH2 3.42Å
159G97.8Very high96.7Very high0 Ų011.8 Ų11.80%05%0.054CC..EExtended strand (participates in β ladder)trans-70.4146.8-172.200000113.9K68 S71 R248K68-G159 CarbonylContact O-C 3.56Å; K68-G159 WeakPolarHBondContact O-CA 3.48Å; S71-G159 VanDerWaalsContact OG-CA 3.26Å; S71-G159 WeakPolarHBondContact OG-CA 3.22Å; S71-G159 PolarHBondContact OG-N 3.24Å; G159-R248 PolarHBondContact O-NH1 2.99Å
160R97.3Very high96.5Very high107 Ų10712 Ų1240%0.4046%0.055SC..EExtended strand (participates in β ladder)trans-69.2-36.7167.1-173.7-173.76973.50.1111.2P66 K68 E69 R248P66-R160 HydrophobicContact CB-CB 3.9Å; P66-R160 HydrophobicContact CG-CB 3.99Å; P66-R160 HydrophobicContact CG-CG 4.2Å; K68-R160 PolarHBondContact O-N 2.9Å; E69-R160 WeakPolarHBondContact O-CB 3.21Å; E69-R160 PolarHBondContact O-N 3.44Å; E69-R160 VanDerWaalsContact O-N 3.12Å; E69-R160 IonicContact OE1-CZ 3.33Å; E69-R160 IonicContact OE1-NE 2.66Å; E69-R160 PolarHBondContact OE1-NE 3.05Å; E69-R160 IonicContact OE1-NH2 2.59Å; E69-R160 PolarHBondContact OE1-NH2 3.29Å; E69-R160 WeakPolarHBondContact OE2-CD 3.34Å; E69-R160 IonicContact OE2-CZ 3.89Å; E69-R160 IonicContact OE2-NE 3.35Å; E69-R160 PolarHBondContact OE2-NE 3.48Å; E69-R160 IonicContact OE2-NH2 2.77Å; R160-R248 WeakPolarHBondContact O-CB 3.33Å; R160-R248 PolarHBondContact O-N 2.66Å
161I98.3Very high96.3Very high8 Ų812.2 Ų12.24%0.0416%0.057CC..EExtended strand (participates in β ladder)trans-121149.6168.259.3169.1000109.1E69 L70 S71 E180 L183 L245 F246E69-I161 VanDerWaalsContact O-CG1 3.3Å; E69-I161 WeakPolarHBondContact O-CG1 3.35Å; E69-I161 PolarHBondContact O-N 3.3Å; L70-I161 WeakPolarHBondContact CA-O 3.45Å; L70-I161 HydrophobicContact CB-CG1 4.39Å; L70-I161 HydrophobicContact CD1-CD1 4.09Å; L70-I161 HydrophobicContact CD1-CG1 3.89Å; S71-I161 PolarHBondContact N-O 2.72Å; I161-E180 HydrophobicContact CD1-CG 3.82Å; I161-E180 WeakPolarHBondContact CD1-OE1 3.33Å; I161-L183 HydrophobicContact CB-CD2 3.96Å; I161-L183 HydrophobicContact CG2-CD2 3.49Å; I161-L183 VanDerWaalsContact CG2-CD2 3.49Å; I161-L245 HydrophobicContact CB-CD1 4.41Å; I161-L245 HydrophobicContact CD1-CD1 4.25Å; I161-L245 HydrophobicContact CD1-CD2 4.39Å; I161-F246 WeakPolarHBondContact CA-O 3.35Å
162L98.8Very high96.2Very high0 Ų015.4 Ų15.40%07%0.072CC..EExtended strand (participates in β ladder)trans-130.3124.5-172-60.593.2000110.1L62 S71 I73 M154 A157 L245 F246 R248 A251L62-L162 HydrophobicContact CD2-CD1 4.32Å; L62-L162 HydrophobicContact CD2-CD2 3.55Å; S71-L162 WeakPolarHBondContact O-CA 3.24Å; I73-L162 HydrophobicContact CD1-CB 4.46Å; M154-L162 HydrophobicContact CE-CB 4.24Å; M154-L162 HydrophobicContact SD-CB 3.69Å; M154-L162 HydrophobicContact SD-CD2 3.78Å; M154-L162 HydrophobicContact SD-CG 4.41Å; A157-L162 HydrophobicContact CB-CD2 3.36Å; A157-L162 HydrophobicContact CB-CG 4.4Å; L162-L245 CarbonylContact O-C 3.43Å; L162-L245 WeakPolarHBondContact O-CA 3.32Å; L162-F246 HydrophobicContact CB-CB 4.49Å; L162-F246 PolarHBondContact N-O 3.08Å; L162-F246 WeakPolarHBondContact O-CD2 3.23Å; L162-F246 PolarHBondContact O-N 3.38Å; L162-R248 HydrophobicContact CD1-CB 3.87Å; L162-R248 HydrophobicContact CD1-CG 4.3Å; L162-A251 HydrophobicContact CD1-CB 3.94Å; L162-A251 HydrophobicContact CD2-CB 4.33Å
163L98.8Very high96.3Very high0 Ų015.1 Ų15.10%07%0.071CC..EExtended strand (participates in β ladder)trans-108.6135.6174.7175.765000107.9L70 S71 V72 I73 F173 I176 F243 K244 L245L70-L163 HydrophobicContact CD1-CB 4.19Å; S71-L163 PolarHBondContact O-N 3.32Å; V72-L163 CarbonylContact C-O 3.47Å; V72-L163 WeakPolarHBondContact CA-O 3.33Å; V72-L163 HydrophobicContact CG1-CD2 4.33Å; V72-L163 HydrophobicContact CG2-CD2 4.47Å; I73-L163 WeakPolarHBondContact CD1-O 3.22Å; I73-L163 PolarHBondContact N-O 3.41Å; L163-F173 HydrophobicContact CD2-CE2 4.1Å; L163-F173 HydrophobicContact CD2-CZ 4.31Å; L163-I176 HydrophobicContact CD2-CD1 3.64Å; L163-I176 HydrophobicContact CD2-CG1 4.06Å; L163-F243 HydrophobicContact CD1-CD1 4.4Å; L163-F243 HydrophobicContact CD1-CD2 4.21Å; L163-F243 HydrophobicContact CD1-CE1 4.36Å; L163-F243 HydrophobicContact CD1-CE2 4.18Å; L163-F243 HydrophobicContact CD1-CG 4.33Å; L163-F243 HydrophobicContact CD1-CZ 4.25Å; L163-F243 HydrophobicContact CD2-CE2 3.84Å; L163-F243 HydrophobicContact CD2-CZ 4Å; L163-K244 WeakPolarHBondContact CA-O 3.32Å; L163-K244 WeakPolarHBondContact CD1-O 3.26Å; L163-L245 HydrophobicContact CB-CD1 3.77Å; L163-L245 HydrophobicContact CD1-CB 4.38Å; L163-L245 HydrophobicContact CD1-CD1 4.45Å
164F98.6Very high96.3Very high0 Ų016.8 Ų16.80%08%0.083CC..EExtended strand (participates in β ladder)trans-105.2143.1151.476.5-99.9000110.3I73 V150 M154 F243 K244 F246 F265 D266I73-F164 HydrophobicContact CB-CB 4.12Å; I73-F164 HydrophobicContact CG2-CB 4.47Å; I73-F164 VanDerWaalsContact O-CA 3.22Å; I73-F164 WeakPolarHBondContact O-CA 3.28Å; V150-F164 HydrophobicContact CG1-CB 3.96Å; V150-F164 HydrophobicContact CG1-CD1 3.75Å; V150-F164 HydrophobicContact CG1-CE1 4.4Å; V150-F164 HydrophobicContact CG1-CG 3.88Å; V150-F164 HydrophobicContact CG2-CB 4.4Å; V150-F164 HydrophobicContact CG2-CD2 4.33Å; V150-F164 HydrophobicContact CG2-CG 4.29Å; M154-F164 HydrophobicContact CE-CB 3.66Å; M154-F164 HydrophobicContact CE-CD1 3.86Å; M154-F164 HydrophobicContact CE-CG 4.27Å; F164-F243 WeakPolarHBondContact O-CA 3.46Å; F164-K244 HydrophobicContact CD1-CB 4.16Å; F164-K244 HydrophobicContact CE1-CB 3.57Å; F164-K244 HydrophobicContact CE1-CD 3.91Å; F164-K244 HydrophobicContact CE1-CG 3.91Å; F164-K244 HydrophobicContact CE2-CG 4.47Å; F164-K244 HydrophobicContact CZ-CB 3.82Å; F164-K244 HydrophobicContact CZ-CD 3.74Å; F164-K244 HydrophobicContact CZ-CG 3.66Å; F164-K244 PolarHBondContact N-O 2.94Å; F164-K244 PolarHBondContact O-N 2.84Å; F164-K244 VanDerWaalsContact O-N 3.14Å; F164-F246 AromaticContact CD1-CE2 3.64Å; F164-F246 HydrophobicContact CD1-CE2 3.64Å; F164-F246 HydrophobicContact CD1-CZ 4.23Å; F164-F246 AromaticContact CE1-CE2 3.74Å; F164-F246 HydrophobicContact CE1-CE2 3.74Å; F164-F246 AromaticContact CE1-CZ 3.9Å; F164-F246 HydrophobicContact CE1-CZ 3.9Å; F164-F265 HydrophobicContact CE1-CE2 4.32Å; F164-F265 HydrophobicContact CE1-CZ 4.49Å; F164-F265 HydrophobicContact CE2-CZ 4.18Å; F164-F265 HydrophobicContact CZ-CE2 4.23Å; F164-F265 AromaticContact CZ-CZ 3.98Å; F164-F265 HydrophobicContact CZ-CZ 3.98Å; F164-D266 WeakPolarHBondContact CZ-OD1 3.22Å
165V98.2Very high96.3Very high1 Ų117 Ų171%0.0068%0.084CC..EExtended strand (participates in β ladder)trans-135.5137.3177.456.70000110.5V72 I73 I74 P75 M86 F173 G242 F243V72-V165 HydrophobicContact CG1-CG1 3.6Å; I73-V165 PolarHBondContact O-N 2.89Å; I74-V165 HydrophobicContact CG1-CG1 3.87Å; P75-V165 WeakPolarHBondContact CD-O 3.48Å; M86-V165 HydrophobicContact CE-CG1 4Å; M86-V165 HydrophobicContact CE-CG2 4.48Å; M86-V165 HydrophobicContact SD-CG1 4.19Å; M86-V165 HydrophobicContact SD-CG2 4.44Å; V165-F173 HydrophobicContact CG1-CE2 4.38Å; V165-G242 CarbonylContact C-O 3.08Å; V165-G242 VanDerWaalsContact CA-O 3.23Å; V165-G242 WeakPolarHBondContact CA-O 3.37Å; V165-F243 HydrophobicContact CB-CD2 3.84Å; V165-F243 HydrophobicContact CB-CE2 4.12Å; V165-F243 HydrophobicContact CG2-CD2 3.63Å; V165-F243 HydrophobicContact CG2-CE2 3.94Å
166D96.6Very high96.4Very high34 Ų3416.6 Ų16.618%0.1828%0.082CC..  trans-65.6137.4177.6-75.86.3000111.7M86 K146 D168 G169 G242M86-D166 WeakPolarHBondContact CE-O 3.36Å; K146-D166 WeakPolarHBondContact CE-OD1 3.5Å; K146-D166 IonicContact NZ-OD1 2.76Å; K146-D166 PolarHBondContact NZ-OD1 3.16Å; K146-D166 IonicContact NZ-OD2 2.74Å; K146-D166 PolarHBondContact NZ-OD2 3.09Å; D166-D168 PolarHBondContact O-N 2.85Å; D166-G169 PolarHBondContact O-N 3.47Å; D166-G242 VanDerWaalsContact CG-CA 3.49Å; D166-G242 PolarHBondContact N-O 2.85Å; D166-G242 WeakPolarHBondContact OD1-CA 3.41Å
167A96.1Very high96.6Very high4 Ų421.7 Ų21.73%0.03311%0.106CC..THydrogen-bonded Turntrans-62.7-9-179.100000114.9I74 P75 A76 E79 R82 L83I74-A167 HydrophobicContact CG2-CB 3.89Å; P75-A167 VanDerWaalsContact O-CB 3.32Å; P75-A167 WeakPolarHBondContact O-CB 3.46Å; A76-A167 HydrophobicContact CB-CB 4.26Å; E79-A167 HydrophobicContact CB-CB 4.16Å; E79-A167 HydrophobicContact CG-CB 3.75Å; R82-A167 CarbonylContact C-O 3.58Å; L83-A167 HydrophobicContact CD1-CB 4.03Å; L83-A167 PolarHBondContact N-O 2.94Å
168D93.2Very high96.6Very high36 Ų3625.5 Ų25.519%0.19312%0.122CC..THydrogen-bonded Turntrans-81-15.1-176.966.66.4000114.3R82 D166 A170R82-D168 IonicContact NH1-OD2 2.99Å; D166-D168 PolarHBondContact O-N 2.85Å; D168-A170 PolarHBondContact O-N 2.96Å; D168-A170 WeakPolarHBondContact OD1-CB 3.28Å; D168-A170 PolarHBondContact OD1-N 2.8Å
169G91.1Very high96.7Very high6 Ų624.5 Ų24.56%0.06212%0.118CC..  trans67.224.2-175.900000113.4D166 T171D166-G169 PolarHBondContact O-N 3.47Å; G169-T171 VanDerWaalsContact C-N 3.27Å; G169-T171 PolarHBondContact O-N 2.74Å
170A92.2Very high96.7Very high3 Ų325.8 Ų25.83%0.02512%0.124CC..  trans-67.7-28.6179.100000112.7D168 W287 Q288 I290D168-A170 PolarHBondContact O-N 2.96Å; D168-A170 WeakPolarHBondContact OD1-CB 3.28Å; D168-A170 PolarHBondContact OD1-N 2.8Å; A170-W287 CarbonylContact O-C 3.53Å; A170-W287 VanDerWaalsContact O-CA 3.3Å; A170-W287 WeakPolarHBondContact O-CA 3.2Å; A170-Q288 WeakPolarHBondContact CB-O 3.39Å; A170-Q288 PolarHBondContact O-N 3.38Å; A170-I290 HydrophobicContact CB-CG1 4.08Å
171T93.8Very high96.7Very high5 Ų527.3 Ų27.33%0.03114%0.136CC..BIsolated β-bridgetrans-98.213717249.40000110.8G169 F173 F243 V285 H286G169-T171 VanDerWaalsContact C-N 3.27Å; G169-T171 PolarHBondContact O-N 2.74Å; T171-F173 PolarHBondContact O-N 2.96Å; T171-F243 HydrophobicContact CG2-CB 3.91Å; T171-F243 HydrophobicContact CG2-CG 4.41Å; T171-F243 WeakPolarHBondContact OG1-CD2 3.22Å; T171-V285 HydrophobicContact CG2-CG2 4.04Å; T171-H286 WeakPolarHBondContact CA-O 3.43Å
172Q94.8Very high96.7Very high81 Ų8127.7 Ų27.738%0.37914%0.14SC..  trans-67.3126.8174.4-170.7177.2-4.800110.1S174 D175 H286Q172-S174 VanDerWaalsContact C-N 3.29Å; Q172-S174 WeakPolarHBondContact CG-OG 3.4Å; Q172-S174 PolarHBondContact NE2-OG 3.25Å; Q172-S174 VanDerWaalsContact NE2-OG 3.1Å; Q172-S174 PolarHBondContact O-N 2.61Å; Q172-D175 WeakPolarHBondContact O-CB 3.39Å; Q172-D175 PolarHBondContact O-N 3.31Å; Q172-H286 HydrophobicContact CB-CB 3.94Å; Q172-H286 PolarHBondContact N-O 3.33Å; Q172-H286 PolarHBondContact OE1-ND1 3.29Å
173F97.5Very high96.7Very high3 Ų327.9 Ų27.91%0.01314%0.141CC..G310 helixtrans-65.2-34.9-170.9-169.9-89.8000112.5V72 E89 A90 Y93 L94 L163 V165 T171 D175 I176V72-F173 HydrophobicContact CG1-CE2 3.97Å; V72-F173 HydrophobicContact CG1-CZ 4.37Å; V72-F173 HydrophobicContact CG2-CE2 4.45Å; V72-F173 HydrophobicContact CG2-CZ 4.03Å; E89-F173 HydrophobicContact CG-CB 4.03Å; E89-F173 PolarHBondContact OE1-N 2.76Å; A90-F173 HydrophobicContact CB-CD1 4.28Å; A90-F173 HydrophobicContact CB-CD2 3.54Å; A90-F173 HydrophobicContact CB-CE1 4.32Å; A90-F173 HydrophobicContact CB-CE2 3.58Å; A90-F173 HydrophobicContact CB-CG 3.91Å; A90-F173 HydrophobicContact CB-CZ 3.99Å; Y93-F173 AromaticContact CD1-CD1 3.52Å; Y93-F173 HydrophobicContact CD1-CD1 3.52Å; Y93-F173 AromaticContact CD1-CE1 3.52Å; Y93-F173 HydrophobicContact CD1-CE1 3.52Å; Y93-F173 HydrophobicContact CE1-CD1 4.27Å; Y93-F173 HydrophobicContact CE1-CE1 4.15Å; Y93-F173 AromaticContact CG-CD1 3.82Å; Y93-F173 HydrophobicContact CG-CD1 3.82Å; Y93-F173 HydrophobicContact CG-CE1 4.26Å; L94-F173 HydrophobicContact CD1-CE1 4.09Å; L94-F173 HydrophobicContact CD1-CZ 3.84Å; L94-F173 HydrophobicContact CD2-CE1 3.83Å; L94-F173 HydrophobicContact CD2-CZ 4.12Å; L94-F173 HydrophobicContact CG-CE1 3.74Å; L94-F173 HydrophobicContact CG-CZ 4.01Å; L163-F173 HydrophobicContact CD2-CE2 4.1Å; L163-F173 HydrophobicContact CD2-CZ 4.31Å; V165-F173 HydrophobicContact CG1-CE2 4.38Å; T171-F173 PolarHBondContact O-N 2.96Å; F173-D175 PolarHBondContact O-N 3.39Å; F173-D175 VanDerWaalsContact O-N 3.09Å; F173-I176 HydrophobicContact CE1-CG2 4.36Å; F173-I176 HydrophobicContact CZ-CD1 4.49Å; F173-I176 WeakPolarHBondContact O-CB 3.35Å; F173-I176 WeakPolarHBondContact O-CG2 3.41Å; F173-I176 PolarHBondContact O-N 2.9Å; F173-I176 VanDerWaalsContact O-N 3.09Å
174S97.3Very high96.6Very high35 Ų3530.8 Ų30.825%0.24517%0.165CC..G310 helixtrans-63.4-14.418059.50000114.2Q172 I176 E177Q172-S174 VanDerWaalsContact C-N 3.29Å; Q172-S174 WeakPolarHBondContact CG-OG 3.4Å; Q172-S174 PolarHBondContact NE2-OG 3.25Å; Q172-S174 VanDerWaalsContact NE2-OG 3.1Å; Q172-S174 PolarHBondContact O-N 2.61Å; S174-I176 PolarHBondContact O-N 3.09Å; S174-I176 VanDerWaalsContact O-N 3.13Å; S174-E177 PolarHBondContact O-N 3.01Å
175D97.7Very high96.4Very high4 Ų433.8 Ų33.82%0.02119%0.186CC..G310 helixtrans-66.6-9173-75.5-36000113.2Q172 F173 E177 K178 L179 F243 V285 H286Q172-D175 WeakPolarHBondContact O-CB 3.39Å; Q172-D175 PolarHBondContact O-N 3.31Å; F173-D175 PolarHBondContact O-N 3.39Å; F173-D175 VanDerWaalsContact O-N 3.09Å; D175-E177 PolarHBondContact O-N 3.33Å; D175-K178 PolarHBondContact O-N 3.29Å; D175-K178 VanDerWaalsContact O-N 3.15Å; D175-K178 WeakPolarHBondContact OD1-CE 3.37Å; D175-K178 IonicContact OD1-NZ 2.97Å; D175-K178 PolarHBondContact OD1-NZ 3.35Å; D175-L179 WeakPolarHBondContact O-CD1 3.28Å; D175-L179 PolarHBondContact O-N 3.5Å; D175-F243 HydrophobicContact CB-CE1 4.35Å; D175-V285 HydrophobicContact CB-CB 4.22Å; D175-V285 HydrophobicContact CB-CG1 3.98Å; D175-V285 WeakPolarHBondContact OD2-CA 3.33Å; D175-H286 IonicContact OD1-CE1 2.62Å; D175-H286 IonicContact OD1-ND1 2.72Å; D175-H286 PolarHBondContact OD1-ND1 3.42Å; D175-H286 WeakPolarHBondContact OD2-CB 3.32Å; D175-H286 IonicContact OD2-CG 3.34Å; D175-H286 PolarHBondContact OD2-N 3.36Å; D175-H286 IonicContact OD2-ND1 2.83Å; D175-H286 PolarHBondContact OD2-ND1 3.46Å
176I98.2Very high96.3Very high0 Ų034 Ų340%019%0.188CC..Hα-helixtrans-52-34171.4-166.7179000112.5L70 Y93 L163 F173 S174 K178 L179 E180 F243L70-I176 HydrophobicContact CD1-CD1 4.06Å; L70-I176 HydrophobicContact CD2-CD1 3.49Å; L70-I176 VanDerWaalsContact CD2-CD1 3.49Å; L70-I176 HydrophobicContact CG-CD1 4.44Å; Y93-I176 HydrophobicContact CE1-CG2 3.67Å; L163-I176 HydrophobicContact CD2-CD1 3.64Å; L163-I176 HydrophobicContact CD2-CG1 4.06Å; F173-I176 HydrophobicContact CE1-CG2 4.36Å; F173-I176 HydrophobicContact CZ-CD1 4.49Å; F173-I176 WeakPolarHBondContact O-CB 3.35Å; F173-I176 WeakPolarHBondContact O-CG2 3.41Å; F173-I176 PolarHBondContact O-N 2.9Å; F173-I176 VanDerWaalsContact O-N 3.09Å; S174-I176 PolarHBondContact O-N 3.09Å; S174-I176 VanDerWaalsContact O-N 3.13Å; I176-K178 VanDerWaalsContact C-N 3.29Å; I176-K178 PolarHBondContact O-N 2.9Å; I176-L179 CarbonylContact O-C 3.55Å; I176-L179 WeakPolarHBondContact O-CA 3.41Å; I176-L179 WeakPolarHBondContact O-CB 3.41Å; I176-L179 PolarHBondContact O-N 3.2Å; I176-E180 HydrophobicContact CG1-CG 4.18Å; I176-E180 WeakPolarHBondContact O-CG 3.49Å; I176-E180 PolarHBondContact O-N 3.1Å; I176-F243 HydrophobicContact CB-CE1 4.42Å; I176-F243 HydrophobicContact CB-CZ 3.98Å
177E97.8Very high96.1Very high108 Ų10835 Ų3551%0.50520%0.195SC..Hα-helixtrans-57.6-43.3179.5-64.2177.9-175.300111.8Y93 S174 D175 L179 E180 E181Y93-E177 WeakPolarHBondContact OH-CG 2.96Å; Y93-E177 PolarHBondContact OH-OE1 3.2Å; S174-E177 PolarHBondContact O-N 3.01Å; D175-E177 PolarHBondContact O-N 3.33Å; E177-L179 VanDerWaalsContact C-N 3.29Å; E177-L179 PolarHBondContact O-N 3.32Å; E177-E180 PolarHBondContact O-N 3.25Å; E177-E181 PolarHBondContact O-N 2.79Å
178K97.9Very high96Very high80 Ų8038.4 Ų38.435%0.34822%0.223SC..Hα-helixtrans-65.6-36.4178.4-57.1170.1179.1162.50111.1D175 I176 A182 I283D175-K178 PolarHBondContact O-N 3.29Å; D175-K178 VanDerWaalsContact O-N 3.15Å; D175-K178 WeakPolarHBondContact OD1-CE 3.37Å; D175-K178 IonicContact OD1-NZ 2.97Å; D175-K178 PolarHBondContact OD1-NZ 3.35Å; I176-K178 VanDerWaalsContact C-N 3.29Å; I176-K178 PolarHBondContact O-N 2.9Å; K178-A182 PolarHBondContact O-N 3.12Å; K178-I283 HydrophobicContact CB-CG2 3.56Å; K178-I283 HydrophobicContact CD-CG2 4.35Å
179L98.6Very high95.8Very high0 Ų042.7 Ų42.70%025%0.246CC..Hα-helixtrans-70.8-39.3176.9-83.769.2000111D175 I176 E177 A182 L183 I198 F243 L245 I283 V285D175-L179 WeakPolarHBondContact O-CD1 3.28Å; D175-L179 PolarHBondContact O-N 3.5Å; I176-L179 CarbonylContact O-C 3.55Å; I176-L179 WeakPolarHBondContact O-CA 3.41Å; I176-L179 WeakPolarHBondContact O-CB 3.41Å; I176-L179 PolarHBondContact O-N 3.2Å; E177-L179 VanDerWaalsContact C-N 3.29Å; E177-L179 PolarHBondContact O-N 3.32Å; L179-A182 PolarHBondContact O-N 2.81Å; L179-L183 WeakPolarHBondContact O-CB 3.35Å; L179-L183 PolarHBondContact O-N 3.32Å; L179-I198 HydrophobicContact CB-CB 4.47Å; L179-I198 HydrophobicContact CB-CG2 4.08Å; L179-I198 HydrophobicContact CG-CB 4.38Å; L179-I198 HydrophobicContact CG-CG2 3.83Å; L179-F243 HydrophobicContact CD1-CD1 4.07Å; L179-F243 HydrophobicContact CD1-CE1 3.95Å; L179-F243 HydrophobicContact CD2-CD1 3.57Å; L179-F243 HydrophobicContact CD2-CE1 3.77Å; L179-F243 HydrophobicContact CG-CD1 4.48Å; L179-F243 HydrophobicContact CG-CE1 4.43Å; L179-L245 HydrophobicContact CB-CB 4.05Å; L179-L245 HydrophobicContact CB-CD2 3.94Å; L179-L245 HydrophobicContact CD2-CB 3.88Å; L179-I283 HydrophobicContact CD1-CB 3.96Å; L179-I283 HydrophobicContact CD1-CG2 3.87Å; L179-I283 HydrophobicContact CG-CB 4.46Å; L179-V285 HydrophobicContact CD1-CG1 3.89Å
180E98.3Very high95.4Very high26 Ų2652.2 Ų52.212%0.12128%0.28CS..Hα-helixtrans-66.4-41.2177.7-75.1-177.7162.700112.4R97 I161 I176 E177 A182 L183 A184 L245R97-E180 IonicContact CZ-OE1 2.69Å; R97-E180 IonicContact CZ-OE2 2.67Å; R97-E180 IonicContact NH1-OE1 3.56Å; R97-E180 PolarHBondContact NH1-OE1 3.37Å; R97-E180 IonicContact NH1-OE2 3.02Å; R97-E180 PolarHBondContact NH1-OE2 3.27Å; R97-E180 IonicContact NH2-OE1 3.65Å; R97-E180 PolarHBondContact NH2-OE1 2.92Å; R97-E180 IonicContact NH2-OE2 3.19Å; R97-E180 PolarHBondContact NH2-OE2 3.31Å; I161-E180 HydrophobicContact CD1-CG 3.82Å; I161-E180 WeakPolarHBondContact CD1-OE1 3.33Å; I176-E180 HydrophobicContact CG1-CG 4.18Å; I176-E180 WeakPolarHBondContact O-CG 3.49Å; I176-E180 PolarHBondContact O-N 3.1Å; E177-E180 PolarHBondContact O-N 3.25Å; E180-A182 VanDerWaalsContact C-N 3.35Å; E180-A182 PolarHBondContact O-N 2.88Å; E180-L183 PolarHBondContact O-N 2.8Å; E180-A184 VanDerWaalsContact O-CB 3.32Å; E180-A184 WeakPolarHBondContact O-CB 3.41Å; E180-A184 PolarHBondContact O-N 2.97Å; E180-L245 HydrophobicContact CB-CD2 4.4Å; E180-L245 HydrophobicContact CG-CD2 3.76Å
181E97.8Very high95.1Very high140 Ų14058.5 Ų58.565%0.65430%0.303SS*.Hα-helixtrans-60.6-45.3175-175.1179.1-173.900111.4E177 L183 A184 S185E177-E181 PolarHBondContact O-N 2.79Å; E181-L183 VanDerWaalsContact C-N 3.35Å; E181-L183 PolarHBondContact O-N 3.47Å; E181-A184 PolarHBondContact O-N 3.42Å; E181-S185 WeakPolarHBondContact O-CB 3.35Å; E181-S185 PolarHBondContact O-N 3.37Å; E181-S185 PolarHBondContact O-OG 3.5Å
182A97.4Very high94.7Very high15 Ų1561.2 Ų61.212%0.12432%0.318CS..Hα-helixtrans-65.6-37.6175.900000112.3K178 L179 E180 S186 I198 V281 I283K178-A182 PolarHBondContact O-N 3.12Å; L179-A182 PolarHBondContact O-N 2.81Å; E180-A182 VanDerWaalsContact C-N 3.35Å; E180-A182 PolarHBondContact O-N 2.88Å; A182-S186 WeakPolarHBondContact O-CB 3.17Å; A182-S186 PolarHBondContact O-N 3.25Å; A182-S186 PolarHBondContact O-OG 3.45Å; A182-I198 HydrophobicContact CB-CD1 4.23Å; A182-I198 HydrophobicContact CB-CG1 4.46Å; A182-I198 HydrophobicContact CB-CG2 3.9Å; A182-V281 HydrophobicContact CB-CG1 4.36Å; A182-I283 HydrophobicContact CB-CD1 3.62Å; A182-I283 HydrophobicContact CB-CG1 3.92Å
183L98Very high94.3Very high5 Ų560.7 Ų60.73%0.02633%0.334CS..Hα-helixtrans-66.8-46.1175.8-175.558.2000111.4I161 L179 E180 E181 S185 S186 V187 A196 I198 L245I161-L183 HydrophobicContact CB-CD2 3.96Å; I161-L183 HydrophobicContact CG2-CD2 3.49Å; I161-L183 VanDerWaalsContact CG2-CD2 3.49Å; L179-L183 WeakPolarHBondContact O-CB 3.35Å; L179-L183 PolarHBondContact O-N 3.32Å; E180-L183 PolarHBondContact O-N 2.8Å; E181-L183 VanDerWaalsContact C-N 3.35Å; E181-L183 PolarHBondContact O-N 3.47Å; L183-S185 VanDerWaalsContact C-N 3.3Å; L183-S185 PolarHBondContact O-N 3.43Å; L183-S186 WeakPolarHBondContact O-CB 3.5Å; L183-S186 PolarHBondContact O-N 2.88Å; L183-S186 VanDerWaalsContact O-N 3.13Å; L183-V187 HydrophobicContact CD1-CG2 4.17Å; L183-V187 HydrophobicContact CG-CG2 4.36Å; L183-V187 WeakPolarHBondContact O-CG2 3.41Å; L183-V187 PolarHBondContact O-N 2.82Å; L183-A196 HydrophobicContact CD1-CB 3.61Å; L183-I198 HydrophobicContact CB-CD1 4.38Å; L183-I198 HydrophobicContact CB-CG1 3.75Å; L183-I198 HydrophobicContact CD1-CD1 4.36Å; L183-I198 HydrophobicContact CD1-CG1 4.03Å; L183-I198 HydrophobicContact CG-CG1 4.46Å; L183-L245 HydrophobicContact CB-CD2 3.98Å; L183-L245 HydrophobicContact CD2-CD2 3.57Å; L183-L245 HydrophobicContact CD2-CG 3.8Å; L183-L245 HydrophobicContact CG-CD2 4.42Å
184A96.9Very high93.9Very high61 Ų6160.8 Ų60.850%0.50434%0.336SS..Hα-helixtrans-58.2-45.3177.700000110.8E180 E181 S186 V187 A188E180-A184 VanDerWaalsContact O-CB 3.32Å; E180-A184 WeakPolarHBondContact O-CB 3.41Å; E180-A184 PolarHBondContact O-N 2.97Å; E181-A184 PolarHBondContact O-N 3.42Å; A184-S186 PolarHBondContact O-N 3.5Å; A184-V187 PolarHBondContact O-N 3.01Å; A184-A188 VanDerWaalsContact O-CB 3.26Å; A184-A188 WeakPolarHBondContact O-CB 3.3Å; A184-A188 PolarHBondContact O-N 2.88Å
185S95.7Very high93.9Very high63 Ų6360.1 Ų60.144%0.44133%0.329SS..Hα-helixtrans-60.5-43.4174.7-59.30000112.1E181 L183 A188 N189E181-S185 WeakPolarHBondContact O-CB 3.35Å; E181-S185 PolarHBondContact O-N 3.37Å; E181-S185 PolarHBondContact O-OG 3.5Å; L183-S185 VanDerWaalsContact C-N 3.3Å; L183-S185 PolarHBondContact O-N 3.43Å; S185-A188 PolarHBondContact O-N 2.79Å; S185-N189 VanDerWaalsContact O-CG 3.23Å; S185-N189 PolarHBondContact O-N 3.42Å; S185-N189 VanDerWaalsContact O-N 3.09Å; S185-N189 PolarHBondContact O-ND2 3.03Å
186S94.6Very high93.9Very high5 Ų560 Ų604%0.03533%0.328CS..Hα-helixtrans-63.7-42.6178.2-600000112.8A182 L183 A184 N279A182-S186 WeakPolarHBondContact O-CB 3.17Å; A182-S186 PolarHBondContact O-N 3.25Å; A182-S186 PolarHBondContact O-OG 3.45Å; L183-S186 WeakPolarHBondContact O-CB 3.5Å; L183-S186 PolarHBondContact O-N 2.88Å; L183-S186 VanDerWaalsContact O-N 3.13Å; A184-S186 PolarHBondContact O-N 3.5Å; S186-N279 WeakPolarHBondContact CB-ND2 3.31Å; S186-N279 PolarHBondContact OG-ND2 3.3Å
187V93.8Very high93.9Very high56 Ų5660 Ų6034%0.33933%0.328SS..Hα-helixtrans-69.6-40.6178.1173.10000110.8L183 A184 N189 R190L183-V187 HydrophobicContact CD1-CG2 4.17Å; L183-V187 HydrophobicContact CG-CG2 4.36Å; L183-V187 WeakPolarHBondContact O-CG2 3.41Å; L183-V187 PolarHBondContact O-N 2.82Å; A184-V187 PolarHBondContact O-N 3.01Å; V187-N189 VanDerWaalsContact C-N 3.31Å; V187-N189 PolarHBondContact O-N 2.78Å; V187-R190 WeakPolarHBondContact O-CA 3.36Å; V187-R190 PolarHBondContact O-N 3.14Å
188A93.6Very high93.9Very high75 Ų7554.8 Ų54.862%0.6230%0.304SS*.Hα-helixtrans-62.8-36.6178.400000112.5A184 S185 R190A184-A188 VanDerWaalsContact O-CB 3.26Å; A184-A188 WeakPolarHBondContact O-CB 3.3Å; A184-A188 PolarHBondContact O-N 2.88Å; S185-A188 PolarHBondContact O-N 2.79Å; A188-R190 PolarHBondContact O-N 3.5Å; A188-R190 VanDerWaalsContact O-N 3.16Å
189N89.1Confident93.9Very high125 Ų12551 Ų5167%0.66829%0.287SS*.THydrogen-bonded Turntrans-66.8-10.9174.6-70-22.1000113.4S185 V187 W191S185-N189 VanDerWaalsContact O-CG 3.23Å; S185-N189 PolarHBondContact O-N 3.42Å; S185-N189 VanDerWaalsContact O-N 3.09Å; S185-N189 PolarHBondContact O-ND2 3.03Å; V187-N189 VanDerWaalsContact C-N 3.31Å; V187-N189 PolarHBondContact O-N 2.78Å; N189-W191 PolarHBondContact O-N 2.87Å
190R82.8Confident93.8Very high206 Ų20651 Ų5178%0.77729%0.287SS*.THydrogen-bonded Turntrans53.117.1179.3-63.5-173.5176.7-172.4-0.5115.2V187 A188 N192 G193V187-R190 WeakPolarHBondContact O-CA 3.36Å; V187-R190 PolarHBondContact O-N 3.14Å; A188-R190 PolarHBondContact O-N 3.5Å; A188-R190 VanDerWaalsContact O-N 3.16Å; R190-N192 PolarHBondContact O-N 3.48Å; R190-N192 VanDerWaalsContact O-N 3.14Å; R190-G193 PolarHBondContact O-N 2.96Å
191W84.5Confident93.6Very high135 Ų13550 Ų5051%0.51128%0.283SS..G310 helixtrans-55.4122.9174.9-178.9-90.1000108.9N189 G193 G194 D277N189-W191 PolarHBondContact O-N 2.87Å; W191-G193 VanDerWaalsContact C-N 3.3Å; W191-G193 PolarHBondContact O-N 2.77Å; W191-G194 PolarHBondContact O-N 2.59Å; W191-D277 WeakPolarHBondContact CZ2-OD2 3.45Å; W191-D277 PolarHBondContact NE1-O 3.12Å
192N85.8Confident93.2Very high63 Ų6346.8 Ų46.834%0.33727%0.265SS..G310 helixtrans47.550.1176.9-168.225.7000113.7R190 G194 M195 F276 D277R190-N192 PolarHBondContact O-N 3.48Å; R190-N192 VanDerWaalsContact O-N 3.14Å; N192-G194 VanDerWaalsContact C-N 3.27Å; N192-G194 PolarHBondContact O-N 3.31Å; N192-M195 WeakPolarHBondContact ND2-CE 3.16Å; N192-M195 VanDerWaalsContact O-CE 3.28Å; N192-M195 WeakPolarHBondContact O-CE 3.26Å; N192-M195 PolarHBondContact O-N 3.05Å; N192-F276 PolarHBondContact ND2-O 3.18Å; N192-D277 PolarHBondContact ND2-O 3.33Å
193G86.3Confident92.6Very high70 Ų7046.7 Ų46.772%0.72227%0.265SS*.G310 helixtrans72.912.6178.900000115.2R190 W191 M195R190-G193 PolarHBondContact O-N 2.96Å; W191-G193 VanDerWaalsContact C-N 3.3Å; W191-G193 PolarHBondContact O-N 2.77Å; G193-M195 VanDerWaalsContact C-N 3.34Å
194G90.5Very high91.8Very high5 Ų550.5 Ų50.55%0.05228%0.282CS..G310 helixtrans77.819.7-175.600000113.2W191 N192 A196 S247W191-G194 PolarHBondContact O-N 2.59Å; N192-G194 VanDerWaalsContact C-N 3.27Å; N192-G194 PolarHBondContact O-N 3.31Å; G194-A196 PolarHBondContact O-N 3.05Å; G194-S247 WeakPolarHBondContact O-CB 3.33Å; G194-S247 PolarHBondContact O-OG 3.21Å
195M95.7Very high90.9Very high21 Ų2149.6 Ų49.610%0.10327%0.268CS..  trans-73.1116.5171.9-70.7-170.7-69.800110N192 G193 S247 P249 A250 L253 M278 N279N192-M195 WeakPolarHBondContact ND2-CE 3.16Å; N192-M195 VanDerWaalsContact O-CE 3.28Å; N192-M195 WeakPolarHBondContact O-CE 3.26Å; N192-M195 PolarHBondContact O-N 3.05Å; G193-M195 VanDerWaalsContact C-N 3.34Å; M195-S247 WeakPolarHBondContact CA-OG 3.42Å; M195-P249 HydrophobicContact CG-CB 3.89Å; M195-A250 HydrophobicContact CB-CB 4.12Å; M195-A250 HydrophobicContact CG-CB 4.43Å; M195-L253 HydrophobicContact SD-CD2 4.11Å; M195-M278 HydrophobicContact CB-CB 4.39Å; M195-M278 HydrophobicContact CB-CG 3.91Å; M195-M278 HydrophobicContact CB-SD 4.31Å; M195-M278 HydrophobicContact SD-CE 3.96Å; M195-N279 PolarHBondContact O-N 2.9Å
196A97.5Very high89.8Confident0 Ų048.2 Ų48.20%026%0.255CS..EExtended strand (participates in β ladder)trans-144.8145.3-175.300000112.3L183 G194 I198 S247 N279L183-A196 HydrophobicContact CD1-CB 3.61Å; G194-A196 PolarHBondContact O-N 3.05Å; A196-I198 HydrophobicContact CB-CD1 4.45Å; A196-S247 PolarHBondContact N-OG 3.11Å; A196-S247 VanDerWaalsContact N-OG 3.13Å; A196-S247 PolarHBondContact O-N 3.29Å; A196-S247 VanDerWaalsContact O-N 3.13Å; A196-N279 CarbonylContact C-O 3.57Å; A196-N279 VanDerWaalsContact CA-O 3.24Å; A196-N279 WeakPolarHBondContact CA-O 3.42Å; A196-N279 HydrophobicContact CB-CB 4.26Å
197V98.1Very high88.6Confident0 Ų055.8 Ų55.80%029%0.29CS..EExtended strand (participates in β ladder)trans-126.4112.7176.2-176.90000108F246 L254 L269 L270 A273 M278 N279 I280 V281V197-F246 HydrophobicContact CB-CD1 4.39Å; V197-F246 HydrophobicContact CB-CE1 4.31Å; V197-F246 HydrophobicContact CG1-CD1 4.05Å; V197-F246 HydrophobicContact CG1-CE1 3.56Å; V197-F246 HydrophobicContact CG1-CZ 4.09Å; V197-F246 HydrophobicContact CG2-CD1 3.87Å; V197-F246 HydrophobicContact CG2-CE1 3.92Å; V197-L254 HydrophobicContact CG2-CD1 3.63Å; V197-L269 HydrophobicContact CG1-CD2 4.41Å; V197-L270 HydrophobicContact CG1-CD2 4.24Å; V197-A273 HydrophobicContact CG2-CB 4.03Å; V197-M278 HydrophobicContact CG2-SD 4.27Å; V197-N279 PolarHBondContact N-O 2.87Å; V197-I280 HydrophobicContact CB-CG1 4.4Å; V197-I280 WeakPolarHBondContact O-CA 3.19Å; V197-V281 PolarHBondContact O-N 3.45Å
198I98.1Very high87.4Confident0 Ų059.8 Ų59.80%031%0.305CS..EExtended strand (participates in β ladder)trans-102.7115.1178.3-42.9-56.8000108.4L179 A182 L183 A196 K244 L245 V281 I283L179-I198 HydrophobicContact CB-CB 4.47Å; L179-I198 HydrophobicContact CB-CG2 4.08Å; L179-I198 HydrophobicContact CG-CB 4.38Å; L179-I198 HydrophobicContact CG-CG2 3.83Å; A182-I198 HydrophobicContact CB-CD1 4.23Å; A182-I198 HydrophobicContact CB-CG1 4.46Å; A182-I198 HydrophobicContact CB-CG2 3.9Å; L183-I198 HydrophobicContact CB-CD1 4.38Å; L183-I198 HydrophobicContact CB-CG1 3.75Å; L183-I198 HydrophobicContact CD1-CD1 4.36Å; L183-I198 HydrophobicContact CD1-CG1 4.03Å; L183-I198 HydrophobicContact CG-CG1 4.46Å; A196-I198 HydrophobicContact CB-CD1 4.45Å; I198-K244 CarbonylContact O-C 3.47Å; I198-K244 WeakPolarHBondContact O-CA 3.32Å; I198-L245 HydrophobicContact CB-CB 4.36Å; I198-L245 PolarHBondContact N-O 3.11Å; I198-L245 PolarHBondContact O-N 3.25Å; I198-V281 CarbonylContact C-O 3.55Å; I198-V281 WeakPolarHBondContact CA-O 3.31Å; I198-V281 HydrophobicContact CD1-CB 3.8Å; I198-V281 HydrophobicContact CD1-CG2 3.94Å; I198-V281 HydrophobicContact CG2-CB 4.44Å; I198-I283 HydrophobicContact CG2-CB 4.45Å; I198-I283 HydrophobicContact CG2-CG1 3.47Å; I198-I283 VanDerWaalsContact CG2-CG1 3.47Å
199C97.8Very high86.2Confident0 Ų057.3 Ų57.30%028%0.284CS..EExtended strand (participates in β ladder)trans-97.8124.6-178.8-60.30000110K244 V281 E282 I283C199-K244 HydrophobicContact CB-CD 4.49Å; C199-K244 HydrophobicContact CB-CG 4.44Å; C199-K244 VanDerWaalsContact SG-CE 3.6Å; C199-V281 PolarHBondContact N-O 2.91Å; C199-E282 HydrophobicContact CB-CG 4.46Å; C199-E282 CarbonylContact O-C 3.53Å; C199-E282 WeakPolarHBondContact O-CA 3.47Å; C199-I283 PolarHBondContact O-N 3.02Å
200G96.8Very high84.9Confident0 Ų053.3 Ų53.30%026%0.263CS..EExtended strand (participates in β ladder)trans-57.6145.2157.700000109.8C241 F243 I283G200-C241 WeakPolarHBondContact O-CB 3.49Å; G200-C241 PolarHBondContact O-SG 3.49Å; G200-F243 WeakPolarHBondContact CA-O 3.44Å; G200-F243 PolarHBondContact N-O 2.83Å; G200-I283 CarbonylContact C-O 3.52Å; G200-I283 WeakPolarHBondContact CA-O 3.38Å
201S94.7Very high84Confident4 Ų448 Ų483%0.02826%0.263CS..EExtended strand (participates in β ladder)trans-139.3126.8-176-1720000111.5A203 H204 D238 E282 I283 V285S201-A203 VanDerWaalsContact C-N 3.3Å; S201-A203 WeakPolarHBondContact OG-CB 3.45Å; S201-A203 PolarHBondContact OG-N 3.35Å; S201-H204 PolarHBondContact O-CE1 3Å; S201-H204 PolarHBondContact O-ND1 2.83Å; S201-D238 WeakPolarHBondContact OG-CB 3.3Å; S201-E282 PolarHBondContact OG-OE1 3.01Å; S201-I283 PolarHBondContact N-O 2.89Å; S201-V285 PolarHBondContact O-N 3.46Å
202R90.2Very high83.5Confident73 Ų7350.8 Ų50.828%0.27528%0.278SS..  trans-88.92.6174.8-55.9166.6-66.6-172.7-4.6112.3H204 L205 E206 D238 W287R202-H204 PolarHBondContact O-N 3.38Å; R202-H204 VanDerWaalsContact O-N 3.1Å; R202-L205 WeakPolarHBondContact O-CB 3.09Å; R202-L205 PolarHBondContact O-N 3.02Å; R202-E206 PolarHBondContact O-N 3.48Å; R202-D238 VanDerWaalsContact CB-OD2 3.28Å; R202-D238 WeakPolarHBondContact CB-OD2 3.47Å; R202-D238 WeakPolarHBondContact CG-OD2 3.44Å; R202-D238 IonicContact CZ-OD1 2.84Å; R202-D238 IonicContact CZ-OD2 2.76Å; R202-D238 PolarHBondContact N-OD2 2.86Å; R202-D238 IonicContact NE-OD1 2.89Å; R202-D238 IonicContact NE-OD2 3.6Å; R202-D238 PolarHBondContact NE-OD2 3.18Å; R202-D238 IonicContact NH2-OD1 2.69Å; R202-D238 PolarHBondContact NH2-OD1 3.27Å; R202-D238 IonicContact NH2-OD2 3.61Å; R202-D238 PolarHBondContact NH2-OD2 2.85Å; R202-W287 VanDerWaalsContact CD-CD1 3.43Å; R202-W287 VanDerWaalsContact CD-CG 3.47Å; R202-W287 HydrophobicContact CG-CB 3.81Å; R202-W287 HydrophobicContact CG-CD2 4.17Å; R202-W287 HydrophobicContact CG-CG 3.62Å
203A83.8Confident83Confident14 Ų1450.8 Ų50.812%0.11627%0.274CS..Hα-helixtrans-56.8-31.9-17200000113.3S201 L205 E206 R237S201-A203 VanDerWaalsContact C-N 3.3Å; S201-A203 WeakPolarHBondContact OG-CB 3.45Å; S201-A203 PolarHBondContact OG-N 3.35Å; A203-L205 VanDerWaalsContact C-N 3.28Å; A203-L205 PolarHBondContact O-N 3.42Å; A203-E206 VanDerWaalsContact O-CB 3.27Å; A203-E206 WeakPolarHBondContact O-CB 3.46Å; A203-E206 PolarHBondContact O-N 3.27Å; A203-R237 HydrophobicContact CB-CB 4.03Å
204H81.8Confident82.6Confident85 Ų8553.7 Ų53.739%0.39427%0.268SS..Hα-helixtrans-72-18.6177.367.3-75.3000113.9S201 R202 V285S201-H204 PolarHBondContact O-CE1 3Å; S201-H204 PolarHBondContact O-ND1 2.83Å; R202-H204 PolarHBondContact O-N 3.38Å; R202-H204 VanDerWaalsContact O-N 3.1Å; H204-V285 PolarHBondContact CE1-N 3.36Å; H204-V285 PolarHBondContact CE1-O 3.25Å
205L77.3Confident82.1Confident42 Ų4258 Ų5822%0.2230%0.295CS..Hα-helixtrans-94.8-8.6175.8-58.9171.6000112.2R202 A203 E207 Q208 A209 W287R202-L205 WeakPolarHBondContact O-CB 3.09Å; R202-L205 PolarHBondContact O-N 3.02Å; A203-L205 VanDerWaalsContact C-N 3.28Å; A203-L205 PolarHBondContact O-N 3.42Å; L205-E207 VanDerWaalsContact C-N 3.34Å; L205-E207 PolarHBondContact O-N 3.12Å; L205-Q208 PolarHBondContact O-N 3.27Å; L205-A209 WeakPolarHBondContact O-CB 3.27Å; L205-A209 PolarHBondContact O-N 3.2Å; L205-W287 HydrophobicContact CD1-CB 3.79Å
206E73.8Confident81.4Confident34 Ų3461.7 Ų61.716%0.15932%0.315CS..Hα-helixtrans-58.2-47.9-174.8-168.6171.5161.800110.5R202 A203 Q208 A209 L210 M221 Y222 K225R202-E206 PolarHBondContact O-N 3.48Å; A203-E206 VanDerWaalsContact O-CB 3.27Å; A203-E206 WeakPolarHBondContact O-CB 3.46Å; A203-E206 PolarHBondContact O-N 3.27Å; E206-Q208 VanDerWaalsContact C-N 3.33Å; E206-Q208 PolarHBondContact O-N 2.89Å; E206-A209 PolarHBondContact O-N 2.8Å; E206-A209 VanDerWaalsContact O-N 3.09Å; E206-L210 HydrophobicContact CG-CD1 4.46Å; E206-L210 HydrophobicContact CG-CG 4.46Å; E206-L210 WeakPolarHBondContact O-CG 3.1Å; E206-L210 PolarHBondContact O-N 2.73Å; E206-M221 HydrophobicContact CG-CE 4.05Å; E206-M221 WeakPolarHBondContact OE1-CE 3.25Å; E206-Y222 WeakPolarHBondContact OE1-CE1 3.38Å; E206-K225 IonicContact OE1-NZ 2.81Å; E206-K225 PolarHBondContact OE1-NZ 2.72Å; E206-K225 IonicContact OE2-NZ 2.65Å; E206-K225 PolarHBondContact OE2-NZ 2.9Å
207E68.4Low80.5Confident163 Ų16367.7 Ų67.776%0.76234%0.337SS*.Hα-helixtrans-56.8-43.9179.4-67.6-177.2-178.500113L205 L210L205-E207 VanDerWaalsContact C-N 3.34Å; L205-E207 PolarHBondContact O-N 3.12Å; E207-L210 PolarHBondContact O-N 2.71Å
208Q69.4Low79.7Confident141 Ų14168.6 Ų68.666%0.65934%0.342SS*.Hα-helixtrans-69.2-35.2178.6-63.1-178.81.100112.2L205 E206L205-Q208 PolarHBondContact O-N 3.27Å; E206-Q208 VanDerWaalsContact C-N 3.33Å; E206-Q208 PolarHBondContact O-N 2.89Å
209A67.2Low79Confident22 Ų2274.2 Ų74.218%0.18237%0.372CS..Hα-helixtrans-73.5-32.6178.600000112.5L205 E206 A211 K212 R213L205-A209 WeakPolarHBondContact O-CB 3.27Å; L205-A209 PolarHBondContact O-N 3.2Å; E206-A209 PolarHBondContact O-N 2.8Å; E206-A209 VanDerWaalsContact O-N 3.09Å; A209-A211 VanDerWaalsContact C-N 3.28Å; A209-A211 PolarHBondContact O-N 3.39Å; A209-K212 PolarHBondContact O-N 3.46Å; A209-R213 VanDerWaalsContact O-CG 3.28Å; A209-R213 WeakPolarHBondContact O-CG 3.35Å; A209-R213 PolarHBondContact O-N 3.37Å
210L62.7Low78.2Confident42 Ų4278 Ų7822%0.2239%0.391CS..Hα-helixtrans-59.2-39.4179.4-72.3167000112.1E206 E207 K212 R213 N218 M221 Y222E206-L210 HydrophobicContact CG-CD1 4.46Å; E206-L210 HydrophobicContact CG-CG 4.46Å; E206-L210 WeakPolarHBondContact O-CG 3.1Å; E206-L210 PolarHBondContact O-N 2.73Å; E207-L210 PolarHBondContact O-N 2.71Å; L210-K212 PolarHBondContact O-N 2.89Å; L210-R213 PolarHBondContact O-N 2.86Å; L210-N218 HydrophobicContact CD2-CB 3.83Å; L210-N218 VanDerWaalsContact CD2-CG 3.4Å; L210-N218 PolarHBondContact O-ND2 3.34Å; L210-M221 HydrophobicContact CD2-CE 4.02Å; L210-Y222 WeakPolarHBondContact CD1-OH 3.25Å; L210-Y222 HydrophobicContact CD2-CE2 3.88Å
211A63.9Low77.6Confident94 Ų9480.4 Ų80.478%0.77740%0.403SS*.THydrogen-bonded Turntrans-64.8-23.4-178.700000113.6A209A209-A211 VanDerWaalsContact C-N 3.28Å; A209-A211 PolarHBondContact O-N 3.39Å
212K73.3Confident77.1Confident193 Ų19385.1 Ų85.184%0.83942%0.421SS*.THydrogen-bonded Turntrans-98.5-15.2-178.5-62.3-177.8-178.21780113.4A209 L210A209-K212 PolarHBondContact O-N 3.46Å; L210-K212 PolarHBondContact O-N 2.89Å
213R75.9Confident76.9Confident63 Ų6383.6 Ų83.624%0.23843%0.428CS..SBendtrans-100.6148.6-168.2-74.8174.1174.5170.74.1112.6A209 L210 N218 E289A209-R213 VanDerWaalsContact O-CG 3.28Å; A209-R213 WeakPolarHBondContact O-CG 3.35Å; A209-R213 PolarHBondContact O-N 3.37Å; L210-R213 PolarHBondContact O-N 2.86Å; R213-N218 WeakPolarHBondContact CB-OD1 3.21Å; R213-E289 IonicContact CZ-OE2 2.67Å; R213-E289 IonicContact NH2-OE2 3.17Å; R213-E289 PolarHBondContact NH2-OE2 3.09Å
214H78.4Confident77Confident131 Ų13185.1 Ų85.161%0.60643%0.432SS*.  trans-60135.6177.3-172.1-84.6000111.7L216 R217 N218H214-L216 VanDerWaalsContact C-N 3.32Å; H214-L216 WeakPolarHBondContact ND1-CB 3.17Å; H214-L216 PolarHBondContact ND1-N 2.72Å; H214-L216 PolarHBondContact O-N 2.78Å; H214-R217 WeakPolarHBondContact O-CB 3.49Å; H214-R217 PolarHBondContact O-N 2.66Å; H214-N218 PolarHBondContact O-N 3.34Å
215P78.4Confident77.2Confident96 Ų9684.1 Ų84.162%0.62343%0.427SS*.Hα-helixtrans-59-36.9-172.420.9-33.8000113.9R217 N218 L219P215-R217 VanDerWaalsContact C-N 3.31Å; P215-R217 PolarHBondContact O-N 2.62Å; P215-N218 PolarHBondContact O-N 3.38Å; P215-L219 PolarHBondContact O-N 3.15Å
216L81.6Confident77.6Confident98 Ų9886.7 Ų86.751%0.51344%0.44SS..Hα-helixtrans-60-39.3175.7-179.361.4000112.4H214 N218 L219 L220H214-L216 VanDerWaalsContact C-N 3.32Å; H214-L216 WeakPolarHBondContact ND1-CB 3.17Å; H214-L216 PolarHBondContact ND1-N 2.72Å; H214-L216 PolarHBondContact O-N 2.78Å; L216-N218 VanDerWaalsContact C-N 3.32Å; L216-L219 PolarHBondContact O-N 2.73Å; L216-L220 HydrophobicContact CD1-CD1 4.3Å; L216-L220 HydrophobicContact CD1-CG 4.31Å; L216-L220 HydrophobicContact CG-CD1 4.11Å; L216-L220 VanDerWaalsContact O-CG 3.27Å; L216-L220 WeakPolarHBondContact O-CG 3.05Å; L216-L220 PolarHBondContact O-N 3.02Å
217R79.6Confident78.3Confident126 Ų12688.1 Ų88.148%0.47545%0.446SS..Hα-helixtrans-65.9-40178-178.3-179.8171.8102.7-8110.5H214 P215 L220 M221H214-R217 WeakPolarHBondContact O-CB 3.49Å; H214-R217 PolarHBondContact O-N 2.66Å; P215-R217 VanDerWaalsContact C-N 3.31Å; P215-R217 PolarHBondContact O-N 2.62Å; R217-L220 PolarHBondContact O-N 2.71Å; R217-M221 WeakPolarHBondContact O-CB 3.4Å; R217-M221 PolarHBondContact O-N 3.36Å
218N80.8Confident79.1Confident19 Ų1980.6 Ų80.610%0.10241%0.411CS..Hα-helixtrans-65.9-43.9177.1-63.4-15.2000111L210 R213 H214 P215 L216 L220 M221 Y222L210-N218 HydrophobicContact CD2-CB 3.83Å; L210-N218 VanDerWaalsContact CD2-CG 3.4Å; L210-N218 PolarHBondContact O-ND2 3.34Å; R213-N218 WeakPolarHBondContact CB-OD1 3.21Å; H214-N218 PolarHBondContact O-N 3.34Å; P215-N218 PolarHBondContact O-N 3.38Å; L216-N218 VanDerWaalsContact C-N 3.32Å; N218-L220 PolarHBondContact O-N 2.91Å; N218-M221 WeakPolarHBondContact O-CB 3.41Å; N218-M221 PolarHBondContact O-N 2.72Å; N218-Y222 HydrophobicContact CB-CE2 4.5Å; N218-Y222 WeakPolarHBondContact O-CD2 3.48Å; N218-Y222 PolarHBondContact O-N 3.32Å
219L83.5Confident80Confident119 Ų11979.6 Ų79.662%0.62340%0.402SS*.Hα-helixtrans-58.5-47.1175.5179.765.7000111.9P215 L216 Y222 G223P215-L219 PolarHBondContact O-N 3.15Å; L216-L219 PolarHBondContact O-N 2.73Å; L219-Y222 PolarHBondContact O-N 3.4Å; L219-G223 PolarHBondContact O-N 3.42Å
220L81.5Confident80.8Confident78 Ų7882.8 Ų82.841%0.40842%0.415SS..Hα-helixtrans-64.7-39.6178.3-69.5171.7000112L216 R217 N218 G223 F224 W301L216-L220 HydrophobicContact CD1-CD1 4.3Å; L216-L220 HydrophobicContact CD1-CG 4.31Å; L216-L220 HydrophobicContact CG-CD1 4.11Å; L216-L220 VanDerWaalsContact O-CG 3.27Å; L216-L220 WeakPolarHBondContact O-CG 3.05Å; L216-L220 PolarHBondContact O-N 3.02Å; R217-L220 PolarHBondContact O-N 2.71Å; N218-L220 PolarHBondContact O-N 2.91Å; L220-G223 PolarHBondContact O-N 2.85Å; L220-F224 WeakPolarHBondContact O-CB 3.45Å; L220-F224 PolarHBondContact O-N 3.49Å; L220-W301 HydrophobicContact CD1-CE3 4.34Å; L220-W301 HydrophobicContact CD1-CH2 3.67Å; L220-W301 HydrophobicContact CD1-CZ3 3.47Å; L220-W301 VanDerWaalsContact CD1-CZ3 3.47Å
221M83.6Confident81.7Confident51 Ų5182 Ų8225%0.25141%0.412SS..Hα-helixtrans-60.6-48.8174.1-179.6-167.674.600111.1E206 L210 R217 N218 F224 K225E206-M221 HydrophobicContact CG-CE 4.05Å; E206-M221 WeakPolarHBondContact OE1-CE 3.25Å; L210-M221 HydrophobicContact CD2-CE 4.02Å; R217-M221 WeakPolarHBondContact O-CB 3.4Å; R217-M221 PolarHBondContact O-N 3.36Å; N218-M221 WeakPolarHBondContact O-CB 3.41Å; N218-M221 PolarHBondContact O-N 2.72Å; M221-F224 PolarHBondContact O-N 3.18Å; M221-K225 HydrophobicContact CG-CD 4.28Å; M221-K225 WeakPolarHBondContact O-CG 3.3Å; M221-K225 PolarHBondContact O-N 3.39Å
222Y84.9Confident82.4Confident104 Ų10478.3 Ų78.341%0.40838%0.38SS..Hα-helixtrans-64.3-40.7177.4-74.9-56.1000112.6E206 L210 N218 L219 F224 K225 L226E206-Y222 WeakPolarHBondContact OE1-CE1 3.38Å; L210-Y222 WeakPolarHBondContact CD1-OH 3.25Å; L210-Y222 HydrophobicContact CD2-CE2 3.88Å; N218-Y222 HydrophobicContact CB-CE2 4.5Å; N218-Y222 WeakPolarHBondContact O-CD2 3.48Å; N218-Y222 PolarHBondContact O-N 3.32Å; L219-Y222 PolarHBondContact O-N 3.4Å; Y222-F224 VanDerWaalsContact C-N 3.33Å; Y222-F224 PolarHBondContact O-N 2.95Å; Y222-K225 PolarHBondContact O-N 3.26Å; Y222-L226 WeakPolarHBondContact O-CB 3.46Å; Y222-L226 PolarHBondContact O-N 3.42Å
223G85.7Confident82.9Confident40 Ų4069.2 Ų69.241%0.41234%0.341SS..Hα-helixtrans-60-43.5174.100000112L219 L220 L226 F227L219-G223 PolarHBondContact O-N 3.42Å; L220-G223 PolarHBondContact O-N 2.85Å; G223-L226 PolarHBondContact O-N 2.75Å; G223-F227 WeakPolarHBondContact O-CB 3.49Å; G223-F227 PolarHBondContact O-N 3.04Å
224F84.5Confident83.2Confident46 Ų4672.3 Ų72.320%0.20235%0.352CS..Hα-helixtrans-65-44.6175.5-176.9-95.3000112.1L220 M221 Y222 L226 F227 V228 M304 L308L220-F224 WeakPolarHBondContact O-CB 3.45Å; L220-F224 PolarHBondContact O-N 3.49Å; M221-F224 PolarHBondContact O-N 3.18Å; Y222-F224 VanDerWaalsContact C-N 3.33Å; Y222-F224 PolarHBondContact O-N 2.95Å; F224-L226 VanDerWaalsContact C-N 3.33Å; F224-L226 PolarHBondContact O-N 2.92Å; F224-F227 WeakPolarHBondContact O-CB 3.41Å; F224-F227 PolarHBondContact O-N 2.97Å; F224-F227 VanDerWaalsContact O-N 3.14Å; F224-V228 HydrophobicContact CD1-CG2 4.04Å; F224-V228 HydrophobicContact CE1-CG2 3.58Å; F224-V228 HydrophobicContact CE2-CG2 4.41Å; F224-V228 HydrophobicContact CZ-CG2 3.79Å; F224-V228 WeakPolarHBondContact O-CG2 3.4Å; F224-V228 PolarHBondContact O-N 2.99Å; F224-M304 HydrophobicContact CE1-CE 3.97Å; F224-M304 HydrophobicContact CE2-CB 4.17Å; F224-M304 HydrophobicContact CE2-CE 3.61Å; F224-M304 HydrophobicContact CZ-CE 3.28Å; F224-L308 HydrophobicContact CD2-CD1 4.05Å; F224-L308 HydrophobicContact CE2-CD1 3.27Å; F224-L308 HydrophobicContact CE2-CG 4.35Å; F224-L308 HydrophobicContact CZ-CD1 3.59Å; F224-L308 HydrophobicContact CZ-CG 4.48Å
225K85.9Confident83.4Confident64 Ų6468.9 Ų68.928%0.27835%0.352SS..Hα-helixtrans-59.5-44.2175.6-73.7175.869.3176.20111.5E206 M221 Y222 F227 V228 W229 R237E206-K225 IonicContact OE1-NZ 2.81Å; E206-K225 PolarHBondContact OE1-NZ 2.72Å; E206-K225 IonicContact OE2-NZ 2.65Å; E206-K225 PolarHBondContact OE2-NZ 2.9Å; M221-K225 HydrophobicContact CG-CD 4.28Å; M221-K225 WeakPolarHBondContact O-CG 3.3Å; M221-K225 PolarHBondContact O-N 3.39Å; Y222-K225 PolarHBondContact O-N 3.26Å; K225-F227 VanDerWaalsContact C-N 3.32Å; K225-F227 PolarHBondContact O-N 3.09Å; K225-V228 PolarHBondContact O-N 3.13Å; K225-W229 VanDerWaalsContact O-CB 3.31Å; K225-W229 WeakPolarHBondContact O-CB 3.46Å; K225-W229 PolarHBondContact O-N 2.6Å; K225-R237 WeakPolarHBondContact CE-O 3.44Å
226L87.4Confident83.9Confident97 Ų9765 Ų6551%0.50833%0.327SS..Hα-helixtrans-61.1-43174.9178.562.3000111.2Y222 G223 F224 W229 L230Y222-L226 WeakPolarHBondContact O-CB 3.46Å; Y222-L226 PolarHBondContact O-N 3.42Å; G223-L226 PolarHBondContact O-N 2.75Å; F224-L226 VanDerWaalsContact C-N 3.33Å; F224-L226 PolarHBondContact O-N 2.92Å; L226-W229 HydrophobicContact CD1-CE3 4.27Å; L226-W229 PolarHBondContact O-N 2.98Å; L226-L230 HydrophobicContact CD1-CD1 4.09Å; L226-L230 HydrophobicContact CD1-CG 4.12Å; L226-L230 HydrophobicContact CG-CD1 3.94Å; L226-L230 HydrophobicContact CG-CG 4.38Å; L226-L230 WeakPolarHBondContact O-CB 3.45Å; L226-L230 VanDerWaalsContact O-CG 3.28Å; L226-L230 WeakPolarHBondContact O-CG 3.23Å; L226-L230 PolarHBondContact O-N 2.81Å
227F87.9Confident84.2Confident64 Ų6467.9 Ų67.928%0.28133%0.331SS..Hα-helixtrans-63.2-47.3178.5-173-126.2000112.1G223 F224 K225 W229 L230 V231 L308 L309G223-F227 WeakPolarHBondContact O-CB 3.49Å; G223-F227 PolarHBondContact O-N 3.04Å; F224-F227 WeakPolarHBondContact O-CB 3.41Å; F224-F227 PolarHBondContact O-N 2.97Å; F224-F227 VanDerWaalsContact O-N 3.14Å; K225-F227 VanDerWaalsContact C-N 3.32Å; K225-F227 PolarHBondContact O-N 3.09Å; F227-W229 VanDerWaalsContact C-N 3.31Å; F227-W229 PolarHBondContact O-N 3.02Å; F227-L230 PolarHBondContact O-N 2.86Å; F227-V231 HydrophobicContact CD2-CG2 3.71Å; F227-V231 HydrophobicContact CE2-CB 4.45Å; F227-V231 HydrophobicContact CE2-CG2 3.53Å; F227-V231 HydrophobicContact CZ-CG2 4.21Å; F227-V231 VanDerWaalsContact O-CB 3.25Å; F227-V231 WeakPolarHBondContact O-CB 3.38Å; F227-V231 WeakPolarHBondContact O-CG2 3.17Å; F227-V231 PolarHBondContact O-N 2.75Å; F227-L308 HydrophobicContact CD1-CB 4.11Å; F227-L308 HydrophobicContact CD1-CD1 3.48Å; F227-L308 VanDerWaalsContact CD1-CD1 3.48Å; F227-L308 HydrophobicContact CD1-CG 4.48Å; F227-L308 HydrophobicContact CE1-CB 3.57Å; F227-L308 HydrophobicContact CE1-CD1 3.81Å; F227-L308 HydrophobicContact CE1-CG 4.37Å; F227-L308 HydrophobicContact CZ-CB 4.43Å; F227-L309 HydrophobicContact CZ-CB 4.44Å
228V85.8Confident84.7Confident5 Ų562.6 Ų62.63%0.0331%0.312CS..Hα-helixtrans-58.1-44173.9172.60000111.2F224 K225 V231 C232 V233 T239 V267 L308F224-V228 HydrophobicContact CD1-CG2 4.04Å; F224-V228 HydrophobicContact CE1-CG2 3.58Å; F224-V228 HydrophobicContact CE2-CG2 4.41Å; F224-V228 HydrophobicContact CZ-CG2 3.79Å; F224-V228 WeakPolarHBondContact O-CG2 3.4Å; F224-V228 PolarHBondContact O-N 2.99Å; K225-V228 PolarHBondContact O-N 3.13Å; V228-V231 PolarHBondContact O-N 2.85Å; V228-C232 WeakPolarHBondContact O-CA 3.37Å; V228-C232 PolarHBondContact O-N 3.12Å; V228-V233 PolarHBondContact O-N 2.85Å; V228-T239 HydrophobicContact CG1-CG2 3.97Å; V228-V267 HydrophobicContact CG1-CG1 4.04Å; V228-V267 HydrophobicContact CG1-CG2 4.22Å; V228-V267 HydrophobicContact CG2-CG2 4.32Å; V228-L308 HydrophobicContact CG2-CD1 3.61Å; V228-L308 HydrophobicContact CG2-CD2 3.98Å; V228-L308 HydrophobicContact CG2-CG 4.48Å
229W87.6Confident85.1Confident120 Ų12062.3 Ų62.346%0.45531%0.311SS..Hα-helixtrans-64.2-40.9179.4-179.689.3000113K225 L226 F227 V233K225-W229 VanDerWaalsContact O-CB 3.31Å; K225-W229 WeakPolarHBondContact O-CB 3.46Å; K225-W229 PolarHBondContact O-N 2.6Å; L226-W229 HydrophobicContact CD1-CE3 4.27Å; L226-W229 PolarHBondContact O-N 2.98Å; F227-W229 VanDerWaalsContact C-N 3.31Å; F227-W229 PolarHBondContact O-N 3.02Å; W229-V233 WeakPolarHBondContact CA-O 2.94Å
230L84.6Confident85.4Confident89 Ų8959 Ų5947%0.46629%0.292SS..Hα-helixtrans-69.1-44.2178.6-75.1171.8000111.7L226 F227 R234L226-L230 HydrophobicContact CD1-CD1 4.09Å; L226-L230 HydrophobicContact CD1-CG 4.12Å; L226-L230 HydrophobicContact CG-CD1 3.94Å; L226-L230 HydrophobicContact CG-CG 4.38Å; L226-L230 WeakPolarHBondContact O-CB 3.45Å; L226-L230 VanDerWaalsContact O-CG 3.28Å; L226-L230 WeakPolarHBondContact O-CG 3.23Å; L226-L230 PolarHBondContact O-N 2.81Å; F227-L230 PolarHBondContact O-N 2.86Å; L230-R234 PolarHBondContact O-NH1 3.21Å
231V80.7Confident86Confident26 Ų2655.2 Ų55.216%0.15827%0.273CS..Hα-helixtrans-100.5-34.4-161.4176.40000112.9F227 V228 R312F227-V231 HydrophobicContact CD2-CG2 3.71Å; F227-V231 HydrophobicContact CE2-CB 4.45Å; F227-V231 HydrophobicContact CE2-CG2 3.53Å; F227-V231 HydrophobicContact CZ-CG2 4.21Å; F227-V231 VanDerWaalsContact O-CB 3.25Å; F227-V231 WeakPolarHBondContact O-CB 3.38Å; F227-V231 WeakPolarHBondContact O-CG2 3.17Å; F227-V231 PolarHBondContact O-N 2.75Å; V228-V231 PolarHBondContact O-N 2.85Å; V231-R312 HydrophobicContact CG1-CB 3.27Å; V231-R312 HydrophobicContact CG1-CG 3.77Å; V231-R312 WeakPolarHBondContact O-CB 3.39Å; V231-R312 WeakPolarHBondContact O-CD 3.15Å; V231-R312 WeakPolarHBondContact O-CG 3.41Å
232C79.3Confident86.5Confident15 Ų1553.1 Ų53.110%0.10126%0.264CS..THydrogen-bonded Turntrans-121.8-67.2-169.6-62.40000113.2V228 V267 Y271V228-C232 WeakPolarHBondContact O-CA 3.37Å; V228-C232 PolarHBondContact O-N 3.12Å; C232-V267 HydrophobicContact CB-CG1 3.26Å; C232-Y271 HydrophobicContact CB-CD2 4.5Å; C232-Y271 WeakPolarHBondContact O-CD2 3.35Å
233V82.6Confident87.1Confident2 Ų248.2 Ų48.21%0.01225%0.245CC..  trans-132.4122.2-163.6-178.30000110.8V228 W229 V236 V267 L270 R274V228-V233 PolarHBondContact O-N 2.85Å; W229-V233 WeakPolarHBondContact CA-O 2.94Å; V233-V236 HydrophobicContact CG1-CB 4.29Å; V233-V236 HydrophobicContact CG1-CG2 3.98Å; V233-V267 HydrophobicContact CG2-CG1 4.21Å; V233-L270 HydrophobicContact CB-CB 4.44Å; V233-L270 HydrophobicContact CG1-CB 4.01Å; V233-L270 HydrophobicContact CG2-CB 3.71Å; V233-R274 HydrophobicContact CG1-CG 4.29Å
234R83.9Confident87.7Confident128 Ų12846.3 Ų46.348%0.48323%0.225SC..SBendtrans-95.2150.1173-70.6-177157.674.15.5111.1L230 V236 R274L230-R234 PolarHBondContact O-NH1 3.21Å; R234-V236 PolarHBondContact O-N 2.93Å; R234-R274 PolarHBondContact O-NE 3.08Å; R234-R274 PolarHBondContact O-NH2 2.85Å
235G82.8Confident88.4Confident59 Ų5944.1 Ų44.161%0.60822%0.216SC*.SBendtrans77.79.7170.500000116.6
236V87.8Confident89Confident16 Ų1641 Ų4110%0.09720%0.203CC..  trans-118.9119.8171-176.80000108V233 R234 T239 L270 I280 E282V233-V236 HydrophobicContact CG1-CB 4.29Å; V233-V236 HydrophobicContact CG1-CG2 3.98Å; R234-V236 PolarHBondContact O-N 2.93Å; V236-T239 HydrophobicContact CB-CG2 4.05Å; V236-T239 HydrophobicContact CG1-CG2 3.94Å; V236-L270 HydrophobicContact CG1-CD1 4.12Å; V236-I280 HydrophobicContact CG2-CG2 3.72Å; V236-E282 HydrophobicContact CG1-CG 3.96Å
237R87.1Confident89.5Confident157 Ų15736.7 Ų36.759%0.59218%0.18SC*.SBendtrans-78.6-41.2-176.9-65.8-175.9-70.3176.4-3.6112.5A203 K225 E282A203-R237 HydrophobicContact CB-CB 4.03Å; K225-R237 WeakPolarHBondContact CE-O 3.44Å; R237-E282 WeakPolarHBondContact CB-OE2 3.4Å; R237-E282 PolarHBondContact N-OE1 2.74Å; R237-E282 VanDerWaalsContact N-OE1 3.16Å; R237-E282 PolarHBondContact N-OE2 3.29Å; R237-E282 IonicContact NE-OE2 3.83Å
238D90.2Very high89.9Confident16 Ų1634.6 Ų34.69%0.08617%0.17CC..  trans-118.188.7176.5-168.9-1.8000110.7S201 R202 Q240 C241 E282S201-D238 WeakPolarHBondContact OG-CB 3.3Å; R202-D238 VanDerWaalsContact CB-OD2 3.28Å; R202-D238 WeakPolarHBondContact CB-OD2 3.47Å; R202-D238 WeakPolarHBondContact CG-OD2 3.44Å; R202-D238 IonicContact CZ-OD1 2.84Å; R202-D238 IonicContact CZ-OD2 2.76Å; R202-D238 PolarHBondContact N-OD2 2.86Å; R202-D238 IonicContact NE-OD1 2.89Å; R202-D238 IonicContact NE-OD2 3.6Å; R202-D238 PolarHBondContact NE-OD2 3.18Å; R202-D238 IonicContact NH2-OD1 2.69Å; R202-D238 PolarHBondContact NH2-OD1 3.27Å; R202-D238 IonicContact NH2-OD2 3.61Å; R202-D238 PolarHBondContact NH2-OD2 2.85Å; D238-Q240 VanDerWaalsContact C-N 3.32Å; D238-Q240 PolarHBondContact O-N 2.65Å; D238-Q240 PolarHBondContact OD1-N 3.28Å; D238-C241 PolarHBondContact OD1-N 3.29Å; D238-E282 PolarHBondContact N-OE1 3.45Å
239T90.6Very high90.3Very high13 Ų1337 Ų378%0.0819%0.186CC..THydrogen-bonded Turntrans-71.6-27.4-179.852.40000112.6V228 V236 K244 D266 L270V228-T239 HydrophobicContact CG1-CG2 3.97Å; V236-T239 HydrophobicContact CB-CG2 4.05Å; V236-T239 HydrophobicContact CG1-CG2 3.94Å; T239-K244 VanDerWaalsContact O-CE 3.22Å; T239-K244 WeakPolarHBondContact O-CE 3.22Å; T239-K244 PolarHBondContact O-NZ 3.09Å; T239-D266 WeakPolarHBondContact O-CB 3.49Å; T239-L270 HydrophobicContact CG2-CD1 3.75Å
240Q90Very high90.7Very high48 Ų4831.3 Ų31.322%0.22417%0.165CC..THydrogen-bonded Turntrans-112.822.7-167-59.6-172.1-7700113.7D238 G242 W263 D266D238-Q240 VanDerWaalsContact C-N 3.32Å; D238-Q240 PolarHBondContact O-N 2.65Å; D238-Q240 PolarHBondContact OD1-N 3.28Å; Q240-G242 PolarHBondContact O-N 3Å; Q240-W263 PolarHBondContact NE2-O 3.32Å; Q240-D266 HydrophobicContact CG-CB 4.34Å
241C92.9Very high91.3Very high0 Ų027 Ų270%014%0.142CC..  trans-65.8129.3168.4-171.80000110G200 D238 F243 K244G200-C241 WeakPolarHBondContact O-CB 3.49Å; G200-C241 PolarHBondContact O-SG 3.49Å; D238-C241 PolarHBondContact OD1-N 3.29Å; C241-F243 PolarHBondContact O-N 3.34Å; C241-K244 PolarHBondContact O-NZ 3.41Å
242G94.3Very high92Very high7 Ų729 Ų297%0.07215%0.147CC..SBendtrans-75.130.8-178.400000115.3V165 D166 Q240V165-G242 CarbonylContact C-O 3.08Å; V165-G242 VanDerWaalsContact CA-O 3.23Å; V165-G242 WeakPolarHBondContact CA-O 3.37Å; D166-G242 VanDerWaalsContact CG-CA 3.49Å; D166-G242 PolarHBondContact N-O 2.85Å; D166-G242 WeakPolarHBondContact OD1-CA 3.41Å; Q240-G242 PolarHBondContact O-N 3Å
243F97.8Very high92.8Very high0 Ų028.3 Ų28.30%014%0.142CC..EExtended strand (participates in β ladder)trans-14596.6-176.6-161.7-104.2000109L163 F164 V165 T171 D175 I176 L179 G200 C241 V285L163-F243 HydrophobicContact CD1-CD1 4.4Å; L163-F243 HydrophobicContact CD1-CD2 4.21Å; L163-F243 HydrophobicContact CD1-CE1 4.36Å; L163-F243 HydrophobicContact CD1-CE2 4.18Å; L163-F243 HydrophobicContact CD1-CG 4.33Å; L163-F243 HydrophobicContact CD1-CZ 4.25Å; L163-F243 HydrophobicContact CD2-CE2 3.84Å; L163-F243 HydrophobicContact CD2-CZ 4Å; F164-F243 WeakPolarHBondContact O-CA 3.46Å; V165-F243 HydrophobicContact CB-CD2 3.84Å; V165-F243 HydrophobicContact CB-CE2 4.12Å; V165-F243 HydrophobicContact CG2-CD2 3.63Å; V165-F243 HydrophobicContact CG2-CE2 3.94Å; T171-F243 HydrophobicContact CG2-CB 3.91Å; T171-F243 HydrophobicContact CG2-CG 4.41Å; T171-F243 WeakPolarHBondContact OG1-CD2 3.22Å; D175-F243 HydrophobicContact CB-CE1 4.35Å; I176-F243 HydrophobicContact CB-CE1 4.42Å; I176-F243 HydrophobicContact CB-CZ 3.98Å; L179-F243 HydrophobicContact CD1-CD1 4.07Å; L179-F243 HydrophobicContact CD1-CE1 3.95Å; L179-F243 HydrophobicContact CD2-CD1 3.57Å; L179-F243 HydrophobicContact CD2-CE1 3.77Å; L179-F243 HydrophobicContact CG-CD1 4.48Å; L179-F243 HydrophobicContact CG-CE1 4.43Å; G200-F243 WeakPolarHBondContact CA-O 3.44Å; G200-F243 PolarHBondContact N-O 2.83Å; C241-F243 PolarHBondContact O-N 3.34Å; F243-V285 HydrophobicContact CD1-CG1 4.2Å
244K98.6Very high93.5Very high0 Ų028.2 Ų28.20%014%0.142CC..EExtended strand (participates in β ladder)trans-138.5132.2-176-58.2-167.8172.769.60112.5L163 F164 I198 C199 T239 C241 F246 D266L163-K244 WeakPolarHBondContact CA-O 3.32Å; L163-K244 WeakPolarHBondContact CD1-O 3.26Å; F164-K244 HydrophobicContact CD1-CB 4.16Å; F164-K244 HydrophobicContact CE1-CB 3.57Å; F164-K244 HydrophobicContact CE1-CD 3.91Å; F164-K244 HydrophobicContact CE1-CG 3.91Å; F164-K244 HydrophobicContact CE2-CG 4.47Å; F164-K244 HydrophobicContact CZ-CB 3.82Å; F164-K244 HydrophobicContact CZ-CD 3.74Å; F164-K244 HydrophobicContact CZ-CG 3.66Å; F164-K244 PolarHBondContact N-O 2.94Å; F164-K244 PolarHBondContact O-N 2.84Å; F164-K244 VanDerWaalsContact O-N 3.14Å; I198-K244 CarbonylContact O-C 3.47Å; I198-K244 WeakPolarHBondContact O-CA 3.32Å; C199-K244 HydrophobicContact CB-CD 4.49Å; C199-K244 HydrophobicContact CB-CG 4.44Å; C199-K244 VanDerWaalsContact SG-CE 3.6Å; T239-K244 VanDerWaalsContact O-CE 3.22Å; T239-K244 WeakPolarHBondContact O-CE 3.22Å; T239-K244 PolarHBondContact O-NZ 3.09Å; C241-K244 PolarHBondContact O-NZ 3.41Å; K244-F246 HydrophobicContact CB-CE2 3.7Å; K244-F246 HydrophobicContact CB-CZ 3.95Å; K244-F246 HydrophobicContact CD-CZ 4.46Å; K244-F246 WeakPolarHBondContact O-CE2 3.41Å; K244-D266 IonicContact NZ-OD1 2.7Å; K244-D266 PolarHBondContact NZ-OD1 2.81Å
245L98.8Very high94.1Very high0 Ų022.1 Ų22.10%012%0.119CC..EExtended strand (participates in β ladder)trans-109139.3-178.3-170.575000110.8L70 I161 L162 L163 L179 E180 L183 I198L70-L245 HydrophobicContact CD1-CD1 4.18Å; I161-L245 HydrophobicContact CB-CD1 4.41Å; I161-L245 HydrophobicContact CD1-CD1 4.25Å; I161-L245 HydrophobicContact CD1-CD2 4.39Å; L162-L245 CarbonylContact O-C 3.43Å; L162-L245 WeakPolarHBondContact O-CA 3.32Å; L163-L245 HydrophobicContact CB-CD1 3.77Å; L163-L245 HydrophobicContact CD1-CB 4.38Å; L163-L245 HydrophobicContact CD1-CD1 4.45Å; L179-L245 HydrophobicContact CB-CB 4.05Å; L179-L245 HydrophobicContact CB-CD2 3.94Å; L179-L245 HydrophobicContact CD2-CB 3.88Å; E180-L245 HydrophobicContact CB-CD2 4.4Å; E180-L245 HydrophobicContact CG-CD2 3.76Å; L183-L245 HydrophobicContact CB-CD2 3.98Å; L183-L245 HydrophobicContact CD2-CD2 3.57Å; L183-L245 HydrophobicContact CD2-CG 3.8Å; L183-L245 HydrophobicContact CG-CD2 4.42Å; I198-L245 HydrophobicContact CB-CB 4.36Å; I198-L245 PolarHBondContact N-O 3.11Å; I198-L245 PolarHBondContact O-N 3.25Å
246F98.7Very high94.7Very high0 Ų020.1 Ų20.10%09%0.094CC..EExtended strand (participates in β ladder)trans-127.2141.6-174-60.3-95.3000110.6M154 I161 L162 F164 V197 K244 A251 L254 F255 L269M154-F246 HydrophobicContact CE-CD2 3.9Å; M154-F246 HydrophobicContact CE-CE2 4.02Å; I161-F246 WeakPolarHBondContact CA-O 3.35Å; L162-F246 HydrophobicContact CB-CB 4.49Å; L162-F246 PolarHBondContact N-O 3.08Å; L162-F246 WeakPolarHBondContact O-CD2 3.23Å; L162-F246 PolarHBondContact O-N 3.38Å; F164-F246 AromaticContact CD1-CE2 3.64Å; F164-F246 HydrophobicContact CD1-CE2 3.64Å; F164-F246 HydrophobicContact CD1-CZ 4.23Å; F164-F246 AromaticContact CE1-CE2 3.74Å; F164-F246 HydrophobicContact CE1-CE2 3.74Å; F164-F246 AromaticContact CE1-CZ 3.9Å; F164-F246 HydrophobicContact CE1-CZ 3.9Å; V197-F246 HydrophobicContact CB-CD1 4.39Å; V197-F246 HydrophobicContact CB-CE1 4.31Å; V197-F246 HydrophobicContact CG1-CD1 4.05Å; V197-F246 HydrophobicContact CG1-CE1 3.56Å; V197-F246 HydrophobicContact CG1-CZ 4.09Å; V197-F246 HydrophobicContact CG2-CD1 3.87Å; V197-F246 HydrophobicContact CG2-CE1 3.92Å; K244-F246 HydrophobicContact CB-CE2 3.7Å; K244-F246 HydrophobicContact CB-CZ 3.95Å; K244-F246 HydrophobicContact CD-CZ 4.46Å; K244-F246 WeakPolarHBondContact O-CE2 3.41Å; F246-A251 HydrophobicContact CB-CB 3.97Å; F246-L254 HydrophobicContact CD1-CD1 4.02Å; F246-L254 HydrophobicContact CE1-CD1 3.9Å; F246-F255 HydrophobicContact CD1-CE2 4.27Å; F246-F255 HydrophobicContact CD2-CE2 4.33Å; F246-F255 HydrophobicContact CE1-CE2 4.18Å; F246-F255 HydrophobicContact CE1-CZ 4.3Å; F246-F255 HydrophobicContact CE2-CE2 4.28Å; F246-F255 HydrophobicContact CE2-CZ 4.14Å; F246-F255 HydrophobicContact CG-CE2 4.35Å; F246-F255 HydrophobicContact CZ-CE2 4.2Å; F246-F255 AromaticContact CZ-CZ 3.96Å; F246-F255 HydrophobicContact CZ-CZ 3.96Å; F246-L269 HydrophobicContact CE1-CD1 3.9Å; F246-L269 HydrophobicContact CE1-CD2 3.85Å; F246-L269 HydrophobicContact CE1-CG 4.29Å; F246-L269 HydrophobicContact CZ-CD1 3.81Å; F246-L269 HydrophobicContact CZ-CD2 3.98Å; F246-L269 HydrophobicContact CZ-CG 4.49Å
247S97.7Very high95Very high6 Ų619.4 Ų19.44%0.0429%0.089CC..EExtended strand (participates in β ladder)trans-68.9144.8157.166.60000109.5G194 M195 A196 P249 A250 A251G194-S247 WeakPolarHBondContact O-CB 3.33Å; G194-S247 PolarHBondContact O-OG 3.21Å; M195-S247 WeakPolarHBondContact CA-OG 3.42Å; A196-S247 PolarHBondContact N-OG 3.11Å; A196-S247 VanDerWaalsContact N-OG 3.13Å; A196-S247 PolarHBondContact O-N 3.29Å; A196-S247 VanDerWaalsContact O-N 3.13Å; S247-P249 VanDerWaalsContact C-N 3.34Å; S247-A250 WeakPolarHBondContact O-CB 3.18Å; S247-A250 PolarHBondContact O-N 3.26Å; S247-A251 PolarHBondContact O-N 3.28Å
248R95.9Very high95.5Very high19 Ų1911.9 Ų11.97%0.0726%0.061CC..Hα-helixtrans-53.5-41.5179.3-179.5176.1-171.876.39.4114.3G61 L62 E64 A157 G159 R160 L162 A250 A251 R252G61-R248 PolarHBondContact O-NH2 3.22Å; L62-R248 HydrophobicContact CD2-CG 4.49Å; E64-R248 PolarHBondContact O-NE 3.44Å; E64-R248 VanDerWaalsContact O-NE 3.11Å; E64-R248 PolarHBondContact O-NH2 2.89Å; A157-R248 PolarHBondContact O-NH1 2.77Å; G159-R248 PolarHBondContact O-NH1 2.99Å; R160-R248 WeakPolarHBondContact O-CB 3.33Å; R160-R248 PolarHBondContact O-N 2.66Å; L162-R248 HydrophobicContact CD1-CB 3.87Å; L162-R248 HydrophobicContact CD1-CG 4.3Å; R248-A250 PolarHBondContact O-N 2.58Å; R248-A251 PolarHBondContact O-N 2.9Å; R248-R252 WeakPolarHBondContact O-CB 3.46Å; R248-R252 PolarHBondContact O-N 2.56Å
249P94.7Very high95.7Very high56 Ų5612.2 Ų12.236%0.3646%0.062SC..Hα-helixtrans-61.9-40.9174.7-24.335.8000113.1M195 S247 R252 L253M195-P249 HydrophobicContact CG-CB 3.89Å; S247-P249 VanDerWaalsContact C-N 3.34Å; P249-R252 PolarHBondContact O-N 3.09Å; P249-L253 PolarHBondContact O-N 3.4Å; P249-L253 VanDerWaalsContact O-N 3.15Å
250A96.5Very high95.9Very high0 Ų012 Ų120%06%0.06CC..Hα-helixtrans-64.4-47.7175.400000111.1M195 S247 R248 R252 L253 L254 M278M195-A250 HydrophobicContact CB-CB 4.12Å; M195-A250 HydrophobicContact CG-CB 4.43Å; S247-A250 WeakPolarHBondContact O-CB 3.18Å; S247-A250 PolarHBondContact O-N 3.26Å; R248-A250 PolarHBondContact O-N 2.58Å; A250-R252 VanDerWaalsContact C-N 3.3Å; A250-R252 PolarHBondContact O-N 2.99Å; A250-L253 PolarHBondContact O-N 3.42Å; A250-L254 WeakPolarHBondContact O-CB 3.15Å; A250-L254 WeakPolarHBondContact O-CG 3.14Å; A250-L254 PolarHBondContact O-N 3.1Å; A250-M278 HydrophobicContact CB-CE 4.36Å; A250-M278 HydrophobicContact CB-SD 3.75Å
251A97.4Very high96.1Very high0 Ų012.3 Ų12.30%06%0.064CC..Hα-helixtrans-57.2-44.3176.500000111.7L62 L162 F246 S247 R248 L253 L254 F255L62-A251 HydrophobicContact CD1-CB 4Å; L62-A251 WeakPolarHBondContact CD1-O 3.38Å; L62-A251 HydrophobicContact CD2-CB 4.47Å; L162-A251 HydrophobicContact CD1-CB 3.94Å; L162-A251 HydrophobicContact CD2-CB 4.33Å; F246-A251 HydrophobicContact CB-CB 3.97Å; S247-A251 PolarHBondContact O-N 3.28Å; R248-A251 PolarHBondContact O-N 2.9Å; A251-L253 VanDerWaalsContact C-N 3.34Å; A251-L253 PolarHBondContact O-N 3.44Å; A251-L254 PolarHBondContact O-N 2.9Å; A251-F255 HydrophobicContact CB-CD2 3.98Å; A251-F255 HydrophobicContact CB-CE2 4.22Å; A251-F255 WeakPolarHBondContact O-CB 3.13Å; A251-F255 VanDerWaalsContact O-CD2 3.28Å; A251-F255 WeakPolarHBondContact O-CD2 3.49Å; A251-F255 PolarHBondContact O-N 3.45Å
252R95.4Very high96.1Very high66 Ų6617.2 Ų17.225%0.2498%0.082CC..Hα-helixtrans-56.6-49.4178.4-175.6177.661.591.78.7110.7L62 R248 P249 A250 H256 Y326L62-R252 HydrophobicContact CB-CB 3.91Å; L62-R252 HydrophobicContact CB-CG 4.04Å; L62-R252 WeakPolarHBondContact O-CD 3.45Å; R248-R252 WeakPolarHBondContact O-CB 3.46Å; R248-R252 PolarHBondContact O-N 2.56Å; P249-R252 PolarHBondContact O-N 3.09Å; A250-R252 VanDerWaalsContact C-N 3.3Å; A250-R252 PolarHBondContact O-N 2.99Å; R252-H256 PolarHBondContact O-ND1 3.2Å; R252-Y326 PolarHBondContact NH1-O 3.3Å; R252-Y326 PolarHBondContact NH2-O 2.83Å
253L94.8Very high96Very high1 Ų120 Ų201%0.0059%0.09CC..Hα-helixtrans-71.6-43.6-177.2-176.451.8000112.4M195 P249 A250 A251 N257 F276 M278 T327M195-L253 HydrophobicContact SD-CD2 4.11Å; P249-L253 PolarHBondContact O-N 3.4Å; P249-L253 VanDerWaalsContact O-N 3.15Å; A250-L253 PolarHBondContact O-N 3.42Å; A251-L253 VanDerWaalsContact C-N 3.34Å; A251-L253 PolarHBondContact O-N 3.44Å; L253-N257 PolarHBondContact O-ND2 3.42Å; L253-F276 HydrophobicContact CD1-CE1 4.09Å; L253-F276 HydrophobicContact CD1-CE2 3.93Å; L253-F276 HydrophobicContact CD1-CZ 3.63Å; L253-F276 HydrophobicContact CD2-CB 4.18Å; L253-F276 HydrophobicContact CD2-CD1 3.6Å; L253-F276 HydrophobicContact CD2-CD2 3.65Å; L253-F276 HydrophobicContact CD2-CE1 3.77Å; L253-F276 HydrophobicContact CD2-CE2 3.82Å; L253-F276 HydrophobicContact CD2-CG 3.53Å; L253-F276 HydrophobicContact CD2-CZ 3.86Å; L253-F276 HydrophobicContact CG-CD1 4.39Å; L253-F276 HydrophobicContact CG-CD2 3.8Å; L253-F276 HydrophobicContact CG-CE1 4.17Å; L253-F276 HydrophobicContact CG-CE2 3.56Å; L253-F276 HydrophobicContact CG-CG 4.2Å; L253-F276 HydrophobicContact CG-CZ 3.74Å; L253-M278 HydrophobicContact CB-CE 4.04Å; L253-M278 HydrophobicContact CD2-CE 3.75Å; L253-M278 HydrophobicContact CG-CE 4.07Å; L253-T327 HydrophobicContact CD1-CG2 3.7Å
254L96.9Very high95.7Very high0 Ų020 Ų200%09%0.09CC..Hα-helixtrans-68.5-51.1-176.6-64.9173.5000112.3V197 F246 A250 A251 H256 N257 L258 L269 L272 A273 F276 M278V197-L254 HydrophobicContact CG2-CD1 3.63Å; F246-L254 HydrophobicContact CD1-CD1 4.02Å; F246-L254 HydrophobicContact CE1-CD1 3.9Å; A250-L254 WeakPolarHBondContact O-CB 3.15Å; A250-L254 WeakPolarHBondContact O-CG 3.14Å; A250-L254 PolarHBondContact O-N 3.1Å; A251-L254 PolarHBondContact O-N 2.9Å; L254-H256 VanDerWaalsContact C-N 3.35Å; L254-H256 PolarHBondContact O-N 3.16Å; L254-N257 CarbonylContact O-C 3.48Å; L254-N257 PolarHBondContact O-N 3.42Å; L254-L258 WeakPolarHBondContact O-CB 3.13Å; L254-L258 PolarHBondContact O-N 3.01Å; L254-L269 HydrophobicContact CD1-CD2 4.47Å; L254-L269 HydrophobicContact CD1-CG 4.24Å; L254-L272 HydrophobicContact CD2-CB 3.54Å; L254-A273 HydrophobicContact CD1-CB 4.28Å; L254-A273 HydrophobicContact CD2-CB 4Å; L254-F276 HydrophobicContact CD2-CD2 4.48Å; L254-M278 HydrophobicContact CD1-CE 4.42Å; L254-M278 HydrophobicContact CD1-SD 3.84Å; L254-M278 HydrophobicContact CD2-CE 3.83Å; L254-M278 HydrophobicContact CD2-SD 3.96Å; L254-M278 HydrophobicContact CG-CE 3.84Å; L254-M278 HydrophobicContact CG-SD 3.92Å
255F96.8Very high95.6Very high0 Ų020 Ų200%09%0.091CC..Hα-helixtrans-77.1-18.6-171.6-69.4-71.2000113.8V150 R151 M154 L155 F246 A251 N257 L258 L269V150-F255 HydrophobicContact CG1-CE1 3.72Å; V150-F255 HydrophobicContact CG1-CZ 4.06Å; R151-F255 HydrophobicContact CB-CD1 4.29Å; R151-F255 VanDerWaalsContact CD-O 3.23Å; R151-F255 WeakPolarHBondContact CD-O 3.47Å; R151-F255 HydrophobicContact CG-CB 4.38Å; R151-F255 HydrophobicContact CG-CD1 4.47Å; R151-F255 WeakPolarHBondContact CG-O 3.48Å; M154-F255 HydrophobicContact CB-CB 4.2Å; M154-F255 HydrophobicContact CB-CD1 3.98Å; M154-F255 HydrophobicContact CB-CD2 3.57Å; M154-F255 HydrophobicContact CB-CE1 4.27Å; M154-F255 HydrophobicContact CB-CE2 3.91Å; M154-F255 HydrophobicContact CB-CG 3.64Å; M154-F255 HydrophobicContact CB-CZ 4.24Å; M154-F255 HydrophobicContact CE-CE2 4.09Å; M154-F255 HydrophobicContact CE-CZ 4.05Å; M154-F255 HydrophobicContact CG-CD1 4.08Å; M154-F255 HydrophobicContact CG-CD2 3.74Å; M154-F255 HydrophobicContact CG-CE1 3.84Å; M154-F255 HydrophobicContact CG-CE2 3.49Å; M154-F255 VanDerWaalsContact CG-CE2 3.49Å; M154-F255 HydrophobicContact CG-CG 4.05Å; M154-F255 HydrophobicContact CG-CZ 3.54Å; M154-F255 HydrophobicContact SD-CD2 4.12Å; M154-F255 HydrophobicContact SD-CE2 3.6Å; M154-F255 HydrophobicContact SD-CZ 4.03Å; L155-F255 HydrophobicContact CD2-CB 3.9Å; L155-F255 HydrophobicContact CG-CB 4.2Å; F246-F255 HydrophobicContact CD1-CE2 4.27Å; F246-F255 HydrophobicContact CD2-CE2 4.33Å; F246-F255 HydrophobicContact CE1-CE2 4.18Å; F246-F255 HydrophobicContact CE1-CZ 4.3Å; F246-F255 HydrophobicContact CE2-CE2 4.28Å; F246-F255 HydrophobicContact CE2-CZ 4.14Å; F246-F255 HydrophobicContact CG-CE2 4.35Å; F246-F255 HydrophobicContact CZ-CE2 4.2Å; F246-F255 AromaticContact CZ-CZ 3.96Å; F246-F255 HydrophobicContact CZ-CZ 3.96Å; A251-F255 HydrophobicContact CB-CD2 3.98Å; A251-F255 HydrophobicContact CB-CE2 4.22Å; A251-F255 WeakPolarHBondContact O-CB 3.13Å; A251-F255 VanDerWaalsContact O-CD2 3.28Å; A251-F255 WeakPolarHBondContact O-CD2 3.49Å; A251-F255 PolarHBondContact O-N 3.45Å; F255-N257 VanDerWaalsContact C-N 3.32Å; F255-L258 HydrophobicContact CD1-CD2 4.02Å; F255-L258 HydrophobicContact CE1-CD2 4.22Å; F255-L269 HydrophobicContact CD1-CD1 4.46Å; F255-L269 HydrophobicContact CE1-CD1 3.6Å; F255-L269 HydrophobicContact CE2-CD1 4.25Å; F255-L269 HydrophobicContact CZ-CD1 3.46Å; F255-L269 VanDerWaalsContact CZ-CD1 3.46Å
256H95.3Very high95.4Very high18 Ų1820.1 Ų20.18%0.0839%0.091CC..Hα-helixtrans-78.4-16.7167.2-71.899.3000113.1P36 L155 R252 L254 Y326P36-H256 WeakPolarHBondContact CG-O 3.42Å; L155-H256 VanDerWaalsContact CD2-CE1 3.45Å; L155-H256 WeakPolarHBondContact CD2-CE1 3.46Å; R252-H256 PolarHBondContact O-ND1 3.2Å; L254-H256 VanDerWaalsContact C-N 3.35Å; L254-H256 PolarHBondContact O-N 3.16Å; H256-Y326 HydrophobicContact CB-CD1 4.03Å; H256-Y326 HydrophobicContact CB-CD2 3.49Å; H256-Y326 VanDerWaalsContact CB-CD2 3.49Å; H256-Y326 HydrophobicContact CB-CE1 4.26Å; H256-Y326 HydrophobicContact CB-CE2 3.75Å; H256-Y326 HydrophobicContact CB-CG 3.64Å; H256-Y326 AromaticContact CD2-CD1 3.78Å; H256-Y326 AromaticContact CD2-CE1 3.24Å; H256-Y326 WeakPolarHBondContact CD2-CE1 3.14Å; H256-Y326 AromaticContact CD2-CE2 3.75Å; H256-Y326 AromaticContact CD2-CZ 3.22Å; H256-Y326 AromaticContact CE1-CD1 3.8Å; H256-Y326 AromaticContact CE1-CE1 3.67Å; H256-Y326 AromaticContact CG-CD1 3.57Å; H256-Y326 AromaticContact CG-CD2 3.89Å; H256-Y326 AromaticContact CG-CE1 3.56Å; H256-Y326 AromaticContact CG-CE2 3.88Å; H256-Y326 AromaticContact CG-CG 3.73Å; H256-Y326 AromaticContact CG-CZ 3.71Å; H256-Y326 AromaticContact ND1-CD1 3.59Å; H256-Y326 AromaticContact ND1-CE1 3.81Å; H256-Y326 AromaticContact NE2-CD1 3.95Å; H256-Y326 AromaticContact NE2-CE1 3.35Å; H256-Y326 WeakPolarHBondContact NE2-CE1 3.41Å; H256-Y326 AromaticContact NE2-CZ 3.77Å
257N95.5Very high95.3Very high0 Ų020.1 Ų20.10%09%0.091CC..Hα-helixtrans-113.72.8-178-70.9-75.9000113.8L253 L254 F255 H259 L272 I322 D323L253-N257 PolarHBondContact O-ND2 3.42Å; L254-N257 CarbonylContact O-C 3.48Å; L254-N257 PolarHBondContact O-N 3.42Å; F255-N257 VanDerWaalsContact C-N 3.32Å; N257-H259 PolarHBondContact O-CE1 2.84Å; N257-H259 PolarHBondContact O-N 3.31Å; N257-H259 PolarHBondContact O-ND1 3.42Å; N257-L272 HydrophobicContact CB-CD1 4.06Å; N257-L272 HydrophobicContact CB-CD2 4.45Å; N257-L272 WeakPolarHBondContact O-CD1 3.33Å; N257-I322 VanDerWaalsContact OD1-CA 3.31Å; N257-I322 WeakPolarHBondContact OD1-CA 3.37Å; N257-D323 PolarHBondContact OD1-N 3.19Å
258L95.8Very high95.1Very high0 Ų019.9 Ų19.90%09%0.089CC..  trans-75.6117.9-178.9-175.771.7000111P36 R151 L254 F255 F265 D268 L269P36-L258 VanDerWaalsContact CB-O 3.32Å; P36-L258 WeakPolarHBondContact CB-O 3.46Å; R151-L258 HydrophobicContact CB-CD2 4.29Å; R151-L258 PolarHBondContact NH1-O 2.69Å; L254-L258 WeakPolarHBondContact O-CB 3.13Å; L254-L258 PolarHBondContact O-N 3.01Å; F255-L258 HydrophobicContact CD1-CD2 4.02Å; F255-L258 HydrophobicContact CE1-CD2 4.22Å; L258-F265 HydrophobicContact CD2-CB 4.34Å; L258-F265 HydrophobicContact CD2-CD2 4.05Å; L258-D268 HydrophobicContact CD1-CB 3.88Å; L258-D268 WeakPolarHBondContact CD1-OD2 3.36Å; L258-L269 HydrophobicContact CD1-CB 3.85Å
259H95.1Very high95.2Very high22 Ų2219 Ų1910%0.1029%0.086CC..  trans-95.2-31.1-175.4-70.983.2000113.5P34 P36 N257 D268 Y315 W320P34-H259 PolarHBondContact O-NE2 3.16Å; P36-H259 WeakPolarHBondContact CD-NE2 2.96Å; N257-H259 PolarHBondContact O-CE1 2.84Å; N257-H259 PolarHBondContact O-N 3.31Å; N257-H259 PolarHBondContact O-ND1 3.42Å; H259-D268 WeakPolarHBondContact CA-OD2 3.2Å; H259-D268 PolarHBondContact N-OD2 2.7Å; H259-Y315 PolarHBondContact ND1-OH 3.03Å; H259-W320 HydrophobicContact CB-CD2 3.86Å; H259-W320 HydrophobicContact CB-CE3 3.96Å; H259-W320 HydrophobicContact CB-CH2 3.56Å; H259-W320 HydrophobicContact CB-CZ2 3.43Å; H259-W320 VanDerWaalsContact CB-CZ2 3.43Å; H259-W320 HydrophobicContact CB-CZ3 3.8Å; H259-W320 AromaticContact CD2-CD1 3.34Å; H259-W320 AromaticContact CD2-CD2 3.7Å; H259-W320 AromaticContact CD2-CE2 3.54Å; H259-W320 AromaticContact CD2-CG 3.6Å; H259-W320 AromaticContact CD2-NE1 3.29Å; H259-W320 PolarHBondContact CD2-NE1 3.3Å; H259-W320 VanDerWaalsContact CD2-NE1 3.29Å; H259-W320 AromaticContact CE1-CG 3.94Å; H259-W320 AromaticContact CG-CD2 3.59Å; H259-W320 AromaticContact CG-CE2 3.6Å; H259-W320 AromaticContact CG-CE3 3.96Å; H259-W320 AromaticContact CG-CG 3.91Å; H259-W320 AromaticContact CG-NE1 3.86Å; H259-W320 AromaticContact ND1-CD2 3.99Å; H259-W320 AromaticContact NE2-CD1 3.52Å; H259-W320 AromaticContact NE2-CG 3.63Å; H259-W320 AromaticContact NE2-NE1 3.99Å
260V95.3Very high95.3Very high9 Ų916.3 Ų16.36%0.0557%0.069CC..  trans-86.1120.8-175.3176.80000111.6A264 F265 D268 I311 W320V260-A264 HydrophobicContact CG1-CB 4.16Å; V260-F265 HydrophobicContact CB-CB 4.39Å; V260-F265 HydrophobicContact CG1-CB 4.27Å; V260-F265 WeakPolarHBondContact O-CB 3.44Å; V260-D268 HydrophobicContact CB-CB 4.02Å; V260-D268 HydrophobicContact CG2-CB 3.89Å; V260-D268 PolarHBondContact N-OD2 2.62Å; V260-I311 HydrophobicContact CG2-CD1 3.98Å; V260-I311 HydrophobicContact CG2-CG1 3.8Å; V260-W320 HydrophobicContact CG2-CH2 3.78Å; V260-W320 HydrophobicContact CG2-CZ3 4.34Å
261D94.3Very high95.2Very high55 Ų5517.9 Ų17.929%0.2948%0.075SC..  trans-88.2-18.8-177.3-73.2-14000114.5G145 K146 G147 A148 R151G145-D261 CarbonylContact C-O 3.58Å; G145-D261 WeakPolarHBondContact CA-O 3.34Å; K146-D261 PolarHBondContact N-O 2.88Å; G147-D261 CarbonylContact C-O 3.53Å; G147-D261 WeakPolarHBondContact CA-O 3.4Å; G147-D261 PolarHBondContact N-O 2.9Å; A148-D261 HydrophobicContact CB-CB 3.89Å; A148-D261 PolarHBondContact N-O 2.78Å; R151-D261 IonicContact CZ-OD1 3.82Å; R151-D261 IonicContact NH1-OD1 3.24Å; R151-D261 PolarHBondContact NH1-OD1 2.86Å; R151-D261 IonicContact NH2-OD1 3.18Å; R151-D261 PolarHBondContact NH2-OD1 2.8Å; R151-D261 IonicContact NH2-OD2 3.76Å
262R93Very high95Very high102 Ų10217.9 Ų17.939%0.3858%0.075SC..SBendtrans-108.2-144.9-171.2-67.4-169.3174.3-96.4-7.9112.1A264 F265R262-A264 VanDerWaalsContact C-N 3.32Å; R262-A264 PolarHBondContact O-N 2.75Å; R262-F265 WeakPolarHBondContact O-CB 3.38Å; R262-F265 WeakPolarHBondContact O-CD1 3.46Å; R262-F265 PolarHBondContact O-N 2.71Å
263W91Very high95Very high65 Ų6514.8 Ų14.825%0.2466%0.063CC..THydrogen-bonded Turntrans-66.2-27.2-166.4-57.3119.8000115K146 Q240 F265 K294 L295 M304K146-W263 HydrophobicContact CB-CZ3 4.47Å; K146-W263 HydrophobicContact CD-CZ3 4.43Å; Q240-W263 PolarHBondContact NE2-O 3.32Å; W263-F265 VanDerWaalsContact C-N 3.32Å; W263-K294 HydrophobicContact CH2-CB 4.16Å; W263-K294 HydrophobicContact CZ2-CB 4.47Å; W263-L295 HydrophobicContact CB-CD2 4.43Å; W263-L295 HydrophobicContact CD2-CD2 3.37Å; W263-L295 HydrophobicContact CD2-CG 4.29Å; W263-L295 VanDerWaalsContact CE2-CD2 3.42Å; W263-L295 HydrophobicContact CE3-CD2 3.79Å; W263-L295 HydrophobicContact CE3-CG 4.29Å; W263-L295 HydrophobicContact CG-CD2 3.67Å; W263-L295 HydrophobicContact CH2-CD2 4.27Å; W263-L295 HydrophobicContact CH2-CG 4.25Å; W263-L295 HydrophobicContact CZ2-CD2 3.89Å; W263-L295 HydrophobicContact CZ2-CG 4.22Å; W263-L295 HydrophobicContact CZ3-CD2 4.22Å; W263-L295 HydrophobicContact CZ3-CG 4.27Å; W263-M304 HydrophobicContact CB-CG 3.65Å; W263-M304 HydrophobicContact CB-SD 3.82Å; W263-M304 HydrophobicContact CG-CG 4.45Å; W263-M304 HydrophobicContact CG-SD 4.46Å
264A92.9Very high94.9Very high0 Ų020 Ų200%08%0.083CC..THydrogen-bonded Turntrans-89.57.9-178.600000113.6V260 R262 D266 V267 D268 D307 I311V260-A264 HydrophobicContact CG1-CB 4.16Å; R262-A264 VanDerWaalsContact C-N 3.32Å; R262-A264 PolarHBondContact O-N 2.75Å; A264-D266 VanDerWaalsContact C-N 3.25Å; A264-D266 PolarHBondContact O-N 3.18Å; A264-V267 PolarHBondContact O-N 2.87Å; A264-D268 PolarHBondContact O-N 2.82Å; A264-D307 HydrophobicContact CB-CB 3.64Å; A264-I311 HydrophobicContact CB-CD1 4.45Å
265F95.9Very high94.7Very high1 Ų125.4 Ų25.40%0.00411%0.108CC..Hα-helixtrans-59.1-35.5-178.485.4-78.6000113K146 V150 F164 L258 V260 R262 W263 V267 D268 L269K146-F265 HydrophobicContact CB-CE1 4.38Å; K146-F265 HydrophobicContact CD-CE1 3.77Å; K146-F265 HydrophobicContact CD-CZ 4.4Å; K146-F265 HydrophobicContact CG-CE1 3.79Å; K146-F265 HydrophobicContact CG-CZ 4.29Å; V150-F265 HydrophobicContact CB-CE2 4.12Å; V150-F265 HydrophobicContact CB-CZ 4.44Å; V150-F265 HydrophobicContact CG1-CE2 4.08Å; V150-F265 HydrophobicContact CG2-CE2 4.21Å; V150-F265 HydrophobicContact CG2-CZ 4.03Å; F164-F265 HydrophobicContact CE1-CE2 4.32Å; F164-F265 HydrophobicContact CE1-CZ 4.49Å; F164-F265 HydrophobicContact CE2-CZ 4.18Å; F164-F265 HydrophobicContact CZ-CE2 4.23Å; F164-F265 AromaticContact CZ-CZ 3.98Å; F164-F265 HydrophobicContact CZ-CZ 3.98Å; L258-F265 HydrophobicContact CD2-CB 4.34Å; L258-F265 HydrophobicContact CD2-CD2 4.05Å; V260-F265 HydrophobicContact CB-CB 4.39Å; V260-F265 HydrophobicContact CG1-CB 4.27Å; V260-F265 WeakPolarHBondContact O-CB 3.44Å; R262-F265 WeakPolarHBondContact O-CB 3.38Å; R262-F265 WeakPolarHBondContact O-CD1 3.46Å; R262-F265 PolarHBondContact O-N 2.71Å; W263-F265 VanDerWaalsContact C-N 3.32Å; F265-V267 PolarHBondContact O-N 2.88Å; F265-D268 PolarHBondContact O-N 2.84Å; F265-L269 WeakPolarHBondContact O-CB 3.36Å; F265-L269 PolarHBondContact O-N 3.44Å
266D95.6Very high94.5Very high3 Ų326.9 Ų26.92%0.01611%0.114CC..Hα-helixtrans-58.3-35.2175.6-74.9-71.2000112.2F164 T239 Q240 K244 A264 L270F164-D266 WeakPolarHBondContact CZ-OD1 3.22Å; T239-D266 WeakPolarHBondContact O-CB 3.49Å; Q240-D266 HydrophobicContact CG-CB 4.34Å; K244-D266 IonicContact NZ-OD1 2.7Å; K244-D266 PolarHBondContact NZ-OD1 2.81Å; A264-D266 VanDerWaalsContact C-N 3.25Å; A264-D266 PolarHBondContact O-N 3.18Å; D266-L270 WeakPolarHBondContact O-CB 3.31Å; D266-L270 VanDerWaalsContact O-CG 3.22Å; D266-L270 WeakPolarHBondContact O-CG 3.07Å; D266-L270 PolarHBondContact O-N 2.79Å
267V94.6Very high94.3Very high0 Ų030.2 Ų30.20%013%0.133CC..Hα-helixtrans-78-39.3-179-177.60000111.1V228 C232 V233 A264 F265 L270 Y271 L308 I311V228-V267 HydrophobicContact CG1-CG1 4.04Å; V228-V267 HydrophobicContact CG1-CG2 4.22Å; V228-V267 HydrophobicContact CG2-CG2 4.32Å; C232-V267 HydrophobicContact CB-CG1 3.26Å; V233-V267 HydrophobicContact CG2-CG1 4.21Å; A264-V267 PolarHBondContact O-N 2.87Å; F265-V267 PolarHBondContact O-N 2.88Å; V267-L270 PolarHBondContact O-N 2.76Å; V267-Y271 VanDerWaalsContact O-CB 3.29Å; V267-Y271 WeakPolarHBondContact O-CB 3.41Å; V267-Y271 PolarHBondContact O-N 2.83Å; V267-L308 HydrophobicContact CB-CD2 3.71Å; V267-L308 HydrophobicContact CG1-CD2 3.41Å; V267-L308 VanDerWaalsContact CG1-CD2 3.41Å; V267-L308 HydrophobicContact CG2-CD2 3.9Å; V267-I311 HydrophobicContact CB-CD1 4.43Å
268D95.3Very high94.3Very high0 Ų030.4 Ų30.40%013%0.134CC..Hα-helixtrans-59.3-47.9170.2-17716.5000110.9L258 H259 V260 A264 F265 L270 Y271 L272 I311 Y315L258-D268 HydrophobicContact CD1-CB 3.88Å; L258-D268 WeakPolarHBondContact CD1-OD2 3.36Å; H259-D268 WeakPolarHBondContact CA-OD2 3.2Å; H259-D268 PolarHBondContact N-OD2 2.7Å; V260-D268 HydrophobicContact CB-CB 4.02Å; V260-D268 HydrophobicContact CG2-CB 3.89Å; V260-D268 PolarHBondContact N-OD2 2.62Å; A264-D268 PolarHBondContact O-N 2.82Å; F265-D268 PolarHBondContact O-N 2.84Å; D268-L270 PolarHBondContact O-N 2.71Å; D268-Y271 WeakPolarHBondContact O-CB 3.47Å; D268-Y271 PolarHBondContact O-N 2.67Å; D268-Y271 VanDerWaalsContact O-N 3.17Å; D268-L272 WeakPolarHBondContact O-CG 3.23Å; D268-L272 PolarHBondContact O-N 3.02Å; D268-I311 HydrophobicContact CB-CD1 3.84Å; D268-I311 HydrophobicContact CB-CG1 4.08Å; D268-Y315 WeakPolarHBondContact OD1-CE2 3.48Å; D268-Y315 PolarHBondContact OD1-OH 2.94Å
269L96.7Very high94.3Very high0 Ų032.8 Ų32.80%015%0.146CC..Hα-helixtrans-57.8-47176.7178.2144.2000112.3V197 F246 L254 F255 L258 F265 Y271 L272 A273V197-L269 HydrophobicContact CG1-CD2 4.41Å; F246-L269 HydrophobicContact CE1-CD1 3.9Å; F246-L269 HydrophobicContact CE1-CD2 3.85Å; F246-L269 HydrophobicContact CE1-CG 4.29Å; F246-L269 HydrophobicContact CZ-CD1 3.81Å; F246-L269 HydrophobicContact CZ-CD2 3.98Å; F246-L269 HydrophobicContact CZ-CG 4.49Å; L254-L269 HydrophobicContact CD1-CD2 4.47Å; L254-L269 HydrophobicContact CD1-CG 4.24Å; F255-L269 HydrophobicContact CD1-CD1 4.46Å; F255-L269 HydrophobicContact CE1-CD1 3.6Å; F255-L269 HydrophobicContact CE2-CD1 4.25Å; F255-L269 HydrophobicContact CZ-CD1 3.46Å; F255-L269 VanDerWaalsContact CZ-CD1 3.46Å; L258-L269 HydrophobicContact CD1-CB 3.85Å; F265-L269 WeakPolarHBondContact O-CB 3.36Å; F265-L269 PolarHBondContact O-N 3.44Å; L269-Y271 VanDerWaalsContact C-N 3.35Å; L269-L272 PolarHBondContact O-N 2.91Å; L269-A273 WeakPolarHBondContact O-CB 3.05Å; L269-A273 PolarHBondContact O-N 2.9Å
270L96.3Very high94.3Very high0 Ų032.8 Ų32.80%015%0.147CC..Hα-helixtrans-72.9-28.6179-71.8174000112.5V197 V233 V236 T239 D266 V267 D268 A273 R274 I280V197-L270 HydrophobicContact CG1-CD2 4.24Å; V233-L270 HydrophobicContact CB-CB 4.44Å; V233-L270 HydrophobicContact CG1-CB 4.01Å; V233-L270 HydrophobicContact CG2-CB 3.71Å; V236-L270 HydrophobicContact CG1-CD1 4.12Å; T239-L270 HydrophobicContact CG2-CD1 3.75Å; D266-L270 WeakPolarHBondContact O-CB 3.31Å; D266-L270 VanDerWaalsContact O-CG 3.22Å; D266-L270 WeakPolarHBondContact O-CG 3.07Å; D266-L270 PolarHBondContact O-N 2.79Å; V267-L270 PolarHBondContact O-N 2.76Å; D268-L270 PolarHBondContact O-N 2.71Å; L270-A273 PolarHBondContact O-N 2.75Å; L270-R274 WeakPolarHBondContact O-CG 3.06Å; L270-R274 PolarHBondContact O-N 3.18Å; L270-I280 HydrophobicContact CD2-CD1 4.22Å; L270-I280 HydrophobicContact CD2-CG2 4.07Å
271Y94.8Very high94.4Very high34 Ų3434.2 Ų34.213%0.13316%0.155CC..Hα-helixtrans-62.6-48.1170.5-178.5-82.8000110.4C232 V267 D268 L269 R274 H275 I311 Y315C232-Y271 HydrophobicContact CB-CD2 4.5Å; C232-Y271 WeakPolarHBondContact O-CD2 3.35Å; V267-Y271 VanDerWaalsContact O-CB 3.29Å; V267-Y271 WeakPolarHBondContact O-CB 3.41Å; V267-Y271 PolarHBondContact O-N 2.83Å; D268-Y271 WeakPolarHBondContact O-CB 3.47Å; D268-Y271 PolarHBondContact O-N 2.67Å; D268-Y271 VanDerWaalsContact O-N 3.17Å; L269-Y271 VanDerWaalsContact C-N 3.35Å; Y271-R274 PolarHBondContact O-N 2.91Å; Y271-H275 WeakPolarHBondContact O-CB 3.46Å; Y271-H275 PolarHBondContact O-N 3.27Å; Y271-I311 HydrophobicContact CD2-CG2 4.35Å; Y271-I311 HydrophobicContact CG-CG2 4.21Å; Y271-Y315 AromaticContact CD1-CD2 3.37Å; Y271-Y315 HydrophobicContact CD1-CD2 3.37Å; Y271-Y315 AromaticContact CD1-CE2 3.59Å; Y271-Y315 HydrophobicContact CD1-CE2 3.59Å; Y271-Y315 AromaticContact CD1-CG 3.98Å; Y271-Y315 HydrophobicContact CD1-CG 3.98Å; Y271-Y315 HydrophobicContact CE1-CD1 4.19Å; Y271-Y315 AromaticContact CE1-CD2 3.25Å; Y271-Y315 HydrophobicContact CE1-CD2 3.25Å; Y271-Y315 AromaticContact CE1-CE2 3.94Å; Y271-Y315 HydrophobicContact CE1-CE2 3.94Å; Y271-Y315 AromaticContact CE1-CG 3.42Å; Y271-Y315 HydrophobicContact CE1-CG 3.42Å; Y271-Y315 VanDerWaalsContact CE1-CG 3.42Å; Y271-Y315 HydrophobicContact CG-CD2 4.18Å; Y271-Y315 HydrophobicContact CG-CE2 4.37Å; Y271-Y315 AromaticContact CZ-CD2 3.97Å; Y271-Y315 WeakPolarHBondContact OH-CB 3.21Å
272L94.4Very high94.4Very high0 Ų033.4 Ų33.40%015%0.15CC..Hα-helixtrans-61.3-44.8174.8-71.6170.2000111.7L254 N257 D268 L269 R274 H275 F276 Y315 I322L254-L272 HydrophobicContact CD2-CB 3.54Å; N257-L272 HydrophobicContact CB-CD1 4.06Å; N257-L272 HydrophobicContact CB-CD2 4.45Å; N257-L272 WeakPolarHBondContact O-CD1 3.33Å; D268-L272 WeakPolarHBondContact O-CG 3.23Å; D268-L272 PolarHBondContact O-N 3.02Å; L269-L272 PolarHBondContact O-N 2.91Å; L272-R274 PolarHBondContact O-N 2.96Å; L272-H275 WeakPolarHBondContact O-CB 3.39Å; L272-H275 PolarHBondContact O-N 2.91Å; L272-F276 HydrophobicContact CB-CD2 4.43Å; L272-F276 HydrophobicContact CB-CE2 4.33Å; L272-F276 HydrophobicContact CD2-CE2 4.19Å; L272-F276 WeakPolarHBondContact O-CD2 3.37Å; L272-F276 PolarHBondContact O-N 3.15Å; L272-Y315 HydrophobicContact CD2-CE1 3.93Å; L272-Y315 WeakPolarHBondContact CD2-OH 3.46Å; L272-Y315 WeakPolarHBondContact CG-OH 3.41Å; L272-I322 HydrophobicContact CD2-CD1 4.39Å; L272-I322 HydrophobicContact CD2-CG1 4.3Å
273A95.1Very high94.6Very high0 Ų029.9 Ų29.90%014%0.138CC..Hα-helixtrans-59.1-37.217800000112.1V197 L254 L269 L270 D277 M278 I280V197-A273 HydrophobicContact CG2-CB 4.03Å; L254-A273 HydrophobicContact CD1-CB 4.28Å; L254-A273 HydrophobicContact CD2-CB 4Å; L269-A273 WeakPolarHBondContact O-CB 3.05Å; L269-A273 PolarHBondContact O-N 2.9Å; L270-A273 PolarHBondContact O-N 2.75Å; A273-D277 PolarHBondContact O-N 3.42Å; A273-M278 HydrophobicContact CB-CB 4.28Å; A273-M278 HydrophobicContact CB-CG 4.44Å; A273-M278 HydrophobicContact CB-SD 4.02Å; A273-M278 WeakPolarHBondContact O-CB 3.39Å; A273-M278 WeakPolarHBondContact O-CG 3.31Å; A273-M278 PolarHBondContact O-N 2.9Å; A273-I280 HydrophobicContact CB-CD1 3.71Å; A273-I280 HydrophobicContact CB-CG1 4.13Å
274R92.9Very high94.8Very high110 Ų11030 Ų3042%0.41515%0.147SC..Hα-helixtrans-71.1-41172.2-72.1-66.3-171-176.9-6.8112.7V233 R234 L270 Y271 L272 F276 D277 I280V233-R274 HydrophobicContact CG1-CG 4.29Å; R234-R274 PolarHBondContact O-NE 3.08Å; R234-R274 PolarHBondContact O-NH2 2.85Å; L270-R274 WeakPolarHBondContact O-CG 3.06Å; L270-R274 PolarHBondContact O-N 3.18Å; Y271-R274 PolarHBondContact O-N 2.91Å; L272-R274 PolarHBondContact O-N 2.96Å; R274-F276 PolarHBondContact O-N 2.94Å; R274-D277 PolarHBondContact O-N 3.3Å; R274-I280 HydrophobicContact CG-CD1 3.79Å
275H91.9Very high94.9Very high114 Ų11430 Ų3053%0.52815%0.147SC..Hα-helixtrans-58.5-40.6177.4177.775.3000111.5Y271 L272 D277 I322Y271-H275 WeakPolarHBondContact O-CB 3.46Å; Y271-H275 PolarHBondContact O-N 3.27Å; L272-H275 WeakPolarHBondContact O-CB 3.39Å; L272-H275 PolarHBondContact O-N 2.91Å; H275-D277 VanDerWaalsContact C-N 3.29Å; H275-D277 PolarHBondContact O-N 3.17Å; H275-I322 WeakPolarHBondContact CD2-CD1 3.12Å; H275-I322 WeakPolarHBondContact NE2-CD1 3.46Å
276F91.8Very high94.9Very high31 Ų3134.6 Ų34.614%0.13617%0.169CC..THydrogen-bonded Turntrans-844.2175.8-65.2-61000114N192 L253 L254 L272 R274 M278 I322 T327N192-F276 PolarHBondContact ND2-O 3.18Å; L253-F276 HydrophobicContact CD1-CE1 4.09Å; L253-F276 HydrophobicContact CD1-CE2 3.93Å; L253-F276 HydrophobicContact CD1-CZ 3.63Å; L253-F276 HydrophobicContact CD2-CB 4.18Å; L253-F276 HydrophobicContact CD2-CD1 3.6Å; L253-F276 HydrophobicContact CD2-CD2 3.65Å; L253-F276 HydrophobicContact CD2-CE1 3.77Å; L253-F276 HydrophobicContact CD2-CE2 3.82Å; L253-F276 HydrophobicContact CD2-CG 3.53Å; L253-F276 HydrophobicContact CD2-CZ 3.86Å; L253-F276 HydrophobicContact CG-CD1 4.39Å; L253-F276 HydrophobicContact CG-CD2 3.8Å; L253-F276 HydrophobicContact CG-CE1 4.17Å; L253-F276 HydrophobicContact CG-CE2 3.56Å; L253-F276 HydrophobicContact CG-CG 4.2Å; L253-F276 HydrophobicContact CG-CZ 3.74Å; L254-F276 HydrophobicContact CD2-CD2 4.48Å; L272-F276 HydrophobicContact CB-CD2 4.43Å; L272-F276 HydrophobicContact CB-CE2 4.33Å; L272-F276 HydrophobicContact CD2-CE2 4.19Å; L272-F276 WeakPolarHBondContact O-CD2 3.37Å; L272-F276 PolarHBondContact O-N 3.15Å; R274-F276 PolarHBondContact O-N 2.94Å; F276-M278 VanDerWaalsContact C-N 3.3Å; F276-M278 HydrophobicContact CB-CE 3.78Å; F276-M278 HydrophobicContact CB-CG 4.03Å; F276-M278 HydrophobicContact CD2-CE 3.88Å; F276-M278 HydrophobicContact CG-CE 4.13Å; F276-M278 PolarHBondContact O-N 3.41Å; F276-I322 HydrophobicContact CE1-CD1 3.93Å; F276-I322 HydrophobicContact CE1-CG2 3.97Å; F276-I322 HydrophobicContact CE2-CD1 4.24Å; F276-I322 HydrophobicContact CZ-CB 4.29Å; F276-I322 HydrophobicContact CZ-CD1 3.51Å; F276-I322 HydrophobicContact CZ-CG1 3.84Å; F276-I322 HydrophobicContact CZ-CG2 3.51Å; F276-T327 HydrophobicContact CE1-CG2 3.84Å; F276-T327 HydrophobicContact CZ-CG2 4.25Å
277D92.8Very high94.7Very high88 Ų8837.6 Ų37.647%0.47118%0.18SC..THydrogen-bonded Turntrans54.841.3-178.5-162.932.3000113.9W191 N192 A273 R274 H275W191-D277 WeakPolarHBondContact CZ2-OD2 3.45Å; W191-D277 PolarHBondContact NE1-O 3.12Å; N192-D277 PolarHBondContact ND2-O 3.33Å; A273-D277 PolarHBondContact O-N 3.42Å; R274-D277 PolarHBondContact O-N 3.3Å; H275-D277 VanDerWaalsContact C-N 3.29Å; H275-D277 PolarHBondContact O-N 3.17Å
278M94.7Very high94.4Very high4 Ų443.2 Ų43.22%0.0221%0.206CC..  trans-74.9151.1174.9-57-174.3179.500110.8M195 V197 A250 L253 L254 A273 F276 I280M195-M278 HydrophobicContact CB-CB 4.39Å; M195-M278 HydrophobicContact CB-CG 3.91Å; M195-M278 HydrophobicContact CB-SD 4.31Å; M195-M278 HydrophobicContact SD-CE 3.96Å; V197-M278 HydrophobicContact CG2-SD 4.27Å; A250-M278 HydrophobicContact CB-CE 4.36Å; A250-M278 HydrophobicContact CB-SD 3.75Å; L253-M278 HydrophobicContact CB-CE 4.04Å; L253-M278 HydrophobicContact CD2-CE 3.75Å; L253-M278 HydrophobicContact CG-CE 4.07Å; L254-M278 HydrophobicContact CD1-CE 4.42Å; L254-M278 HydrophobicContact CD1-SD 3.84Å; L254-M278 HydrophobicContact CD2-CE 3.83Å; L254-M278 HydrophobicContact CD2-SD 3.96Å; L254-M278 HydrophobicContact CG-CE 3.84Å; L254-M278 HydrophobicContact CG-SD 3.92Å; A273-M278 HydrophobicContact CB-CB 4.28Å; A273-M278 HydrophobicContact CB-CG 4.44Å; A273-M278 HydrophobicContact CB-SD 4.02Å; A273-M278 WeakPolarHBondContact O-CB 3.39Å; A273-M278 WeakPolarHBondContact O-CG 3.31Å; A273-M278 PolarHBondContact O-N 2.9Å; F276-M278 VanDerWaalsContact C-N 3.3Å; F276-M278 HydrophobicContact CB-CE 3.78Å; F276-M278 HydrophobicContact CB-CG 4.03Å; F276-M278 HydrophobicContact CD2-CE 3.88Å; F276-M278 HydrophobicContact CG-CE 4.13Å; F276-M278 PolarHBondContact O-N 3.41Å; M278-I280 PolarHBondContact O-N 3.5Å
279N95.6Very high93.9Very high50 Ų5049 Ų4927%0.26723%0.233SC..EExtended strand (participates in β ladder)trans-72.9115.3173.3-167.830.4000110.2S186 M195 A196 V197S186-N279 WeakPolarHBondContact CB-ND2 3.31Å; S186-N279 PolarHBondContact OG-ND2 3.3Å; M195-N279 PolarHBondContact O-N 2.9Å; A196-N279 CarbonylContact C-O 3.57Å; A196-N279 VanDerWaalsContact CA-O 3.24Å; A196-N279 WeakPolarHBondContact CA-O 3.42Å; A196-N279 HydrophobicContact CB-CB 4.26Å; V197-N279 PolarHBondContact N-O 2.87Å
280I96Very high93.4Very high22 Ų2251.2 Ų51.211%0.11325%0.245CC..EExtended strand (participates in β ladder)trans-110118.4178.9-56.4170.5000108.7V197 V236 L270 A273 R274 M278V197-I280 HydrophobicContact CB-CG1 4.4Å; V197-I280 WeakPolarHBondContact O-CA 3.19Å; V236-I280 HydrophobicContact CG2-CG2 3.72Å; L270-I280 HydrophobicContact CD2-CD1 4.22Å; L270-I280 HydrophobicContact CD2-CG2 4.07Å; A273-I280 HydrophobicContact CB-CD1 3.71Å; A273-I280 HydrophobicContact CB-CG1 4.13Å; R274-I280 HydrophobicContact CG-CD1 3.79Å; M278-I280 PolarHBondContact O-N 3.5Å
281V95.9Very high92.8Very high39 Ų3956.4 Ų56.424%0.23628%0.278CS..EExtended strand (participates in β ladder)trans-121.3135.6-178-175.40000109.7A182 V197 I198 C199 I283A182-V281 HydrophobicContact CB-CG1 4.36Å; V197-V281 PolarHBondContact O-N 3.45Å; I198-V281 CarbonylContact C-O 3.55Å; I198-V281 WeakPolarHBondContact CA-O 3.31Å; I198-V281 HydrophobicContact CD1-CB 3.8Å; I198-V281 HydrophobicContact CD1-CG2 3.94Å; I198-V281 HydrophobicContact CG2-CB 4.44Å; C199-V281 PolarHBondContact N-O 2.91Å; V281-I283 HydrophobicContact CG1-CD1 3.83Å; V281-I283 HydrophobicContact CG1-CG1 4.32Å
282E95.4Very high92.1Very high39 Ų3956.9 Ų56.918%0.18229%0.293CS..EExtended strand (participates in β ladder)trans-99.7128.7172.2-73.9-170.593.900111.1C199 S201 V236 R237 D238C199-E282 HydrophobicContact CB-CG 4.46Å; C199-E282 CarbonylContact O-C 3.53Å; C199-E282 WeakPolarHBondContact O-CA 3.47Å; S201-E282 PolarHBondContact OG-OE1 3.01Å; V236-E282 HydrophobicContact CG1-CG 3.96Å; R237-E282 WeakPolarHBondContact CB-OE2 3.4Å; R237-E282 PolarHBondContact N-OE1 2.74Å; R237-E282 VanDerWaalsContact N-OE1 3.16Å; R237-E282 PolarHBondContact N-OE2 3.29Å; R237-E282 IonicContact NE-OE2 3.83Å; D238-E282 PolarHBondContact N-OE1 3.45Å
283I96.6Very high91.5Very high27 Ų2760.8 Ų60.814%0.13832%0.321CS..EExtended strand (participates in β ladder)trans-118.6125.3-179.9-59.3-60.8000109.8K178 L179 A182 I198 C199 G200 S201 V281 V285K178-I283 HydrophobicContact CB-CG2 3.56Å; K178-I283 HydrophobicContact CD-CG2 4.35Å; L179-I283 HydrophobicContact CD1-CB 3.96Å; L179-I283 HydrophobicContact CD1-CG2 3.87Å; L179-I283 HydrophobicContact CG-CB 4.46Å; A182-I283 HydrophobicContact CB-CD1 3.62Å; A182-I283 HydrophobicContact CB-CG1 3.92Å; I198-I283 HydrophobicContact CG2-CB 4.45Å; I198-I283 HydrophobicContact CG2-CG1 3.47Å; I198-I283 VanDerWaalsContact CG2-CG1 3.47Å; C199-I283 PolarHBondContact O-N 3.02Å; G200-I283 CarbonylContact C-O 3.52Å; G200-I283 WeakPolarHBondContact CA-O 3.38Å; S201-I283 PolarHBondContact N-O 2.89Å; V281-I283 HydrophobicContact CG1-CD1 3.83Å; V281-I283 HydrophobicContact CG1-CG1 4.32Å; I283-V285 PolarHBondContact O-N 3.42Å
284P96Very high90.7Very high67 Ų6764.3 Ų64.344%0.43534%0.336SS..EExtended strand (participates in β ladder)trans-59123.9173.2-25.936.3000112.3
285V95.5Very high89.6Confident0 Ų062.3 Ų62.30%033%0.333CS..  trans-121.2144.7177.2-60.70000111.8T171 D175 L179 S201 H204 F243 I283 W287T171-V285 HydrophobicContact CG2-CG2 4.04Å; D175-V285 HydrophobicContact CB-CB 4.22Å; D175-V285 HydrophobicContact CB-CG1 3.98Å; D175-V285 WeakPolarHBondContact OD2-CA 3.33Å; L179-V285 HydrophobicContact CD1-CG1 3.89Å; S201-V285 PolarHBondContact O-N 3.46Å; H204-V285 PolarHBondContact CE1-N 3.36Å; H204-V285 PolarHBondContact CE1-O 3.25Å; F243-V285 HydrophobicContact CD1-CG1 4.2Å; I283-V285 PolarHBondContact O-N 3.42Å; V285-W287 PolarHBondContact O-N 3.26Å
286H94.2Very high88.7Confident98 Ų9861 Ų6145%0.45433%0.333SS..  trans-59.6130.9168.5-60.295.6000109T171 Q172 D175T171-H286 WeakPolarHBondContact CA-O 3.43Å; Q172-H286 HydrophobicContact CB-CB 3.94Å; Q172-H286 PolarHBondContact N-O 3.33Å; Q172-H286 PolarHBondContact OE1-ND1 3.29Å; D175-H286 IonicContact OD1-CE1 2.62Å; D175-H286 IonicContact OD1-ND1 2.72Å; D175-H286 PolarHBondContact OD1-ND1 3.42Å; D175-H286 WeakPolarHBondContact OD2-CB 3.32Å; D175-H286 IonicContact OD2-CG 3.34Å; D175-H286 PolarHBondContact OD2-N 3.36Å; D175-H286 IonicContact OD2-ND1 2.83Å; D175-H286 PolarHBondContact OD2-ND1 3.46Å
287W92Very high87.6Confident67 Ų6763 Ų6325%0.25435%0.349SS..BIsolated β-bridgetrans-141.7133.7-179.1-173.686.5000110.8A170 R202 L205 V285 E289A170-W287 CarbonylContact O-C 3.53Å; A170-W287 VanDerWaalsContact O-CA 3.3Å; A170-W287 WeakPolarHBondContact O-CA 3.2Å; R202-W287 VanDerWaalsContact CD-CD1 3.43Å; R202-W287 VanDerWaalsContact CD-CG 3.47Å; R202-W287 HydrophobicContact CG-CB 3.81Å; R202-W287 HydrophobicContact CG-CD2 4.17Å; R202-W287 HydrophobicContact CG-CG 3.62Å; L205-W287 HydrophobicContact CD1-CB 3.79Å; V285-W287 PolarHBondContact O-N 3.26Å; W287-E289 HydrophobicContact CH2-CB 3.64Å; W287-E289 HydrophobicContact CH2-CG 3.95Å; W287-E289 HydrophobicContact CZ3-CB 3.82Å
288Q88.2Confident87Confident117 Ų11764.5 Ų64.555%0.54736%0.356SS..  trans-126.7146.6175.857.5180-8.100110.6A170 I290A170-Q288 WeakPolarHBondContact CB-O 3.39Å; A170-Q288 PolarHBondContact O-N 3.38Å; Q288-I290 HydrophobicContact CG-CD1 3.85Å; Q288-I290 HydrophobicContact CG-CG1 4.34Å; Q288-I290 PolarHBondContact O-N 3.04Å
289E85Confident86.4Confident122 Ų12271.9 Ų71.957%0.5739%0.388SS*.  trans-80.3108179.1-169156.1175.800109.8R213 W287R213-E289 IonicContact CZ-OE2 2.67Å; R213-E289 IonicContact NH2-OE2 3.17Å; R213-E289 PolarHBondContact NH2-OE2 3.09Å; W287-E289 HydrophobicContact CH2-CB 3.64Å; W287-E289 HydrophobicContact CH2-CG 3.95Å; W287-E289 HydrophobicContact CZ3-CB 3.82Å
290I86.8Confident85.7Confident47 Ų4770.1 Ų70.124%0.24138%0.38CS..  trans-94.6125.8175.5-54.2-62.9000109R82 A170 Q288R82-I290 HydrophobicContact CG-CG2 4.28Å; A170-I290 HydrophobicContact CB-CG1 4.08Å; Q288-I290 HydrophobicContact CG-CD1 3.85Å; Q288-I290 HydrophobicContact CG-CG1 4.34Å; Q288-I290 PolarHBondContact O-N 3.04Å
291P83.6Confident85.1Confident108 Ų10874.6 Ų74.670%0.70140%0.395SS*.SBendtrans-63.2166.9177.426.8-34000112.1R82R82-P291 WeakPolarHBondContact CD-O 3.41Å; R82-P291 PolarHBondContact NH1-O 2.88Å; R82-P291 VanDerWaalsContact NH1-O 3.16Å
292G80.8Confident84.6Confident44 Ų4478 Ų7845%0.45441%0.411SS..  trans93.918.9176.800000116.1R82R82-G292 PolarHBondContact NH2-O 3.26Å
293S79.9Confident84.3Confident82 Ų8279.1 Ų79.157%0.57342%0.416SS*.  trans-54.6135.9176.8-174.50000112.9L295S293-L295 VanDerWaalsContact C-N 3.34Å; S293-L295 PolarHBondContact OG-N 3.17Å
294K80.3Confident83.9Confident75 Ų7578.5 Ų78.533%0.32641%0.413SS..  trans-88.20.8179.2-47.7-53.4-177.2-166.40113.8Y77 N78 W263 V296Y77-K294 VanDerWaalsContact O-CE 3.31Å; Y77-K294 WeakPolarHBondContact O-CE 3.46Å; N78-K294 WeakPolarHBondContact O-CE 3.29Å; N78-K294 PolarHBondContact O-NZ 3.05Å; W263-K294 HydrophobicContact CH2-CB 4.16Å; W263-K294 HydrophobicContact CZ2-CB 4.47Å; K294-V296 PolarHBondContact O-N 2.69Å
295L69.7Low83.6Confident67 Ų6777.3 Ų77.335%0.35141%0.409SS..  trans-75.1101.5176.2-77.8166.2000110W263 S293 P297 M304W263-L295 HydrophobicContact CB-CD2 4.43Å; W263-L295 HydrophobicContact CD2-CD2 3.37Å; W263-L295 HydrophobicContact CD2-CG 4.29Å; W263-L295 VanDerWaalsContact CE2-CD2 3.42Å; W263-L295 HydrophobicContact CE3-CD2 3.79Å; W263-L295 HydrophobicContact CE3-CG 4.29Å; W263-L295 HydrophobicContact CG-CD2 3.67Å; W263-L295 HydrophobicContact CH2-CD2 4.27Å; W263-L295 HydrophobicContact CH2-CG 4.25Å; W263-L295 HydrophobicContact CZ2-CD2 3.89Å; W263-L295 HydrophobicContact CZ2-CG 4.22Å; W263-L295 HydrophobicContact CZ3-CD2 4.22Å; W263-L295 HydrophobicContact CZ3-CG 4.27Å; S293-L295 VanDerWaalsContact C-N 3.34Å; S293-L295 PolarHBondContact OG-N 3.17Å; L295-P297 WeakPolarHBondContact O-CD 3.26Å; L295-M304 HydrophobicContact CD2-SD 4.4Å
296V72.1Confident83.4Confident87 Ų8783 Ų8353%0.52743%0.434SS..  trans-72.5113.8170.5-177.30000108.3K294 I298 F299 S300K294-V296 PolarHBondContact O-N 2.69Å; V296-I298 PolarHBondContact O-N 2.98Å; V296-F299 HydrophobicContact CG1-CD2 4.23Å; V296-S300 PolarHBondContact N-OG 3.32Å; V296-S300 WeakPolarHBondContact O-CB 3.33Å; V296-S300 PolarHBondContact O-N 3.49Å; V296-S300 PolarHBondContact O-OG 3.25Å
297P69.2Low83.3Confident73 Ų7379.3 Ų79.347%0.47442%0.417SS..Hα-helixtrans-55.4-55.8-159-29.334.8000115L295 W301L295-P297 WeakPolarHBondContact O-CD 3.26Å; P297-W301 HydrophobicContact CB-CZ2 4.35Å; P297-W301 VanDerWaalsContact O-CB 3.29Å; P297-W301 WeakPolarHBondContact O-CB 3.34Å; P297-W301 PolarHBondContact O-N 2.53Å; P297-W301 VanDerWaalsContact O-N 3.08Å
298I79.8Confident83.3Confident119 Ų11976.1 Ų76.161%0.6141%0.405SS*.Hα-helixtrans-69.6-53.8-170.5-60.7173.1000111.4V296 S300 W301 I302V296-I298 PolarHBondContact O-N 2.98Å; I298-S300 PolarHBondContact O-N 2.91Å; I298-W301 PolarHBondContact O-N 3.32Å; I298-I302 HydrophobicContact CG2-CD1 4.1Å; I298-I302 WeakPolarHBondContact O-CG1 3.33Å; I298-I302 PolarHBondContact O-N 2.96Å; I298-I302 VanDerWaalsContact O-N 3.16Å
299F81.6Confident83.4Confident160 Ų16074.4 Ų74.470%0.70240%0.399SS*.Hα-helixtrans-67-38.8-177.2-64.6-68.8000112.3V296 I302 Q303V296-F299 HydrophobicContact CG1-CD2 4.23Å; F299-I302 PolarHBondContact O-N 3.02Å; F299-Q303 VanDerWaalsContact O-CB 3.31Å; F299-Q303 WeakPolarHBondContact O-CB 3.2Å; F299-Q303 PolarHBondContact O-N 3.2Å
300S81.1Confident83.8Confident12 Ų1270 Ų708%0.08438%0.379CS..Hα-helixtrans-68.8-35.9179.6-52.30000111.4V296 I298 Q303 M304V296-S300 PolarHBondContact N-OG 3.32Å; V296-S300 WeakPolarHBondContact O-CB 3.33Å; V296-S300 PolarHBondContact O-N 3.49Å; V296-S300 PolarHBondContact O-OG 3.25Å; I298-S300 PolarHBondContact O-N 2.91Å; S300-Q303 PolarHBondContact O-N 3.28Å; S300-M304 WeakPolarHBondContact O-CB 3.4Å; S300-M304 WeakPolarHBondContact O-CG 3.44Å; S300-M304 PolarHBondContact O-N 2.95Å
301W82.5Confident84.1Confident116 Ų11667.8 Ų67.844%0.43937%0.368SS..Hα-helixtrans-68.1-43176.6-67.8-9.8000112.8L220 P297 I298 Q303 M304 A305L220-W301 HydrophobicContact CD1-CE3 4.34Å; L220-W301 HydrophobicContact CD1-CH2 3.67Å; L220-W301 HydrophobicContact CD1-CZ3 3.47Å; L220-W301 VanDerWaalsContact CD1-CZ3 3.47Å; P297-W301 HydrophobicContact CB-CZ2 4.35Å; P297-W301 VanDerWaalsContact O-CB 3.29Å; P297-W301 WeakPolarHBondContact O-CB 3.34Å; P297-W301 PolarHBondContact O-N 2.53Å; P297-W301 VanDerWaalsContact O-N 3.08Å; I298-W301 PolarHBondContact O-N 3.32Å; W301-Q303 VanDerWaalsContact C-N 3.32Å; W301-Q303 PolarHBondContact O-N 3.36Å; W301-M304 PolarHBondContact O-N 3.14Å; W301-A305 WeakPolarHBondContact O-CB 3.48Å; W301-A305 PolarHBondContact O-N 2.95Å
302I87.1Confident84.5Confident110 Ų11068.1 Ų68.156%0.56436%0.355SS*.Hα-helixtrans-61.9-45175.2-65.4168.3000109.9I298 F299 M304 A305 K306I298-I302 HydrophobicContact CG2-CD1 4.1Å; I298-I302 WeakPolarHBondContact O-CG1 3.33Å; I298-I302 PolarHBondContact O-N 2.96Å; I298-I302 VanDerWaalsContact O-N 3.16Å; F299-I302 PolarHBondContact O-N 3.02Å; I302-M304 PolarHBondContact O-N 3.17Å; I302-A305 PolarHBondContact O-N 3.38Å; I302-K306 WeakPolarHBondContact O-CB 3.47Å; I302-K306 PolarHBondContact O-N 2.85Å
303Q88.6Confident85.1Confident64 Ų6468.2 Ų68.230%0.29935%0.345SS..Hα-helixtrans-59.9-46.3176.6-178.560.54100111.4F299 S300 W301 K306 D307F299-Q303 VanDerWaalsContact O-CB 3.31Å; F299-Q303 WeakPolarHBondContact O-CB 3.2Å; F299-Q303 PolarHBondContact O-N 3.2Å; S300-Q303 PolarHBondContact O-N 3.28Å; W301-Q303 VanDerWaalsContact C-N 3.32Å; W301-Q303 PolarHBondContact O-N 3.36Å; Q303-K306 PolarHBondContact O-N 2.82Å; Q303-D307 VanDerWaalsContact NE2-CG 3.25Å; Q303-D307 PolarHBondContact NE2-OD1 3.11Å; Q303-D307 PolarHBondContact NE2-OD2 2.88Å; Q303-D307 WeakPolarHBondContact O-CB 3.5Å; Q303-D307 PolarHBondContact O-N 2.79Å
304M88.2Confident85.9Confident13 Ų1367.2 Ų67.26%0.06433%0.328CS..Hα-helixtrans-62.6-44.9177.3-76172.360.900112.3F224 W263 L295 S300 W301 I302 K306 D307 L308F224-M304 HydrophobicContact CE1-CE 3.97Å; F224-M304 HydrophobicContact CE2-CB 4.17Å; F224-M304 HydrophobicContact CE2-CE 3.61Å; F224-M304 HydrophobicContact CZ-CE 3.28Å; W263-M304 HydrophobicContact CB-CG 3.65Å; W263-M304 HydrophobicContact CB-SD 3.82Å; W263-M304 HydrophobicContact CG-CG 4.45Å; W263-M304 HydrophobicContact CG-SD 4.46Å; L295-M304 HydrophobicContact CD2-SD 4.4Å; S300-M304 WeakPolarHBondContact O-CB 3.4Å; S300-M304 WeakPolarHBondContact O-CG 3.44Å; S300-M304 PolarHBondContact O-N 2.95Å; W301-M304 PolarHBondContact O-N 3.14Å; I302-M304 PolarHBondContact O-N 3.17Å; M304-K306 VanDerWaalsContact C-N 3.33Å; M304-K306 PolarHBondContact O-N 3.26Å; M304-D307 PolarHBondContact O-N 3.23Å; M304-L308 VanDerWaalsContact O-CG 3.3Å; M304-L308 WeakPolarHBondContact O-CG 3.14Å; M304-L308 PolarHBondContact O-N 3.18Å
305A88.8Confident86.5Confident43 Ų4364.8 Ų64.836%0.35532%0.318SS..Hα-helixtrans-62.2-42178.100000111.6W301 I302 L309W301-A305 WeakPolarHBondContact O-CB 3.48Å; W301-A305 PolarHBondContact O-N 2.95Å; I302-A305 PolarHBondContact O-N 3.38Å; A305-L309 PolarHBondContact O-N 2.95Å; A305-L309 VanDerWaalsContact O-N 3.14Å
306K91.4Very high87.5Confident120 Ų12064.8 Ų64.852%0.52232%0.323SS..Hα-helixtrans-59.7-51.8171.9177-174.9167-173.50110.5I302 Q303 M304 L308 L309 M310I302-K306 WeakPolarHBondContact O-CB 3.47Å; I302-K306 PolarHBondContact O-N 2.85Å; Q303-K306 PolarHBondContact O-N 2.82Å; M304-K306 VanDerWaalsContact C-N 3.33Å; M304-K306 PolarHBondContact O-N 3.26Å; K306-L308 VanDerWaalsContact C-N 3.31Å; K306-L308 PolarHBondContact O-N 3.32Å; K306-L309 PolarHBondContact O-N 2.89Å; K306-L309 VanDerWaalsContact O-N 3.16Å; K306-M310 HydrophobicContact CG-CG 4.16Å; K306-M310 VanDerWaalsContact O-CG 3.22Å; K306-M310 WeakPolarHBondContact O-CG 3.47Å; K306-M310 PolarHBondContact O-N 3.38Å
307D92.5Very high88.4Confident19 Ų1964.1 Ų64.110%0.10232%0.316CS..Hα-helixtrans-58.7-42.5-177.5-70-22.9000111.7A264 Q303 M304 M310 I311A264-D307 HydrophobicContact CB-CB 3.64Å; Q303-D307 VanDerWaalsContact NE2-CG 3.25Å; Q303-D307 PolarHBondContact NE2-OD1 3.11Å; Q303-D307 PolarHBondContact NE2-OD2 2.88Å; Q303-D307 WeakPolarHBondContact O-CB 3.5Å; Q303-D307 PolarHBondContact O-N 2.79Å; M304-D307 PolarHBondContact O-N 3.23Å; D307-M310 PolarHBondContact O-N 3.11Å; D307-I311 VanDerWaalsContact O-CG1 3.23Å; D307-I311 WeakPolarHBondContact O-CG1 3.48Å; D307-I311 PolarHBondContact O-N 3.21Å
308L91.6Very high89.6Confident0 Ų062.1 Ų62.10%031%0.308CS..Hα-helixtrans-60.5-45.2175-72.5179.6000113.5F224 F227 V228 V267 M304 K306 M310 I311 R312F224-L308 HydrophobicContact CD2-CD1 4.05Å; F224-L308 HydrophobicContact CE2-CD1 3.27Å; F224-L308 HydrophobicContact CE2-CG 4.35Å; F224-L308 HydrophobicContact CZ-CD1 3.59Å; F224-L308 HydrophobicContact CZ-CG 4.48Å; F227-L308 HydrophobicContact CD1-CB 4.11Å; F227-L308 HydrophobicContact CD1-CD1 3.48Å; F227-L308 VanDerWaalsContact CD1-CD1 3.48Å; F227-L308 HydrophobicContact CD1-CG 4.48Å; F227-L308 HydrophobicContact CE1-CB 3.57Å; F227-L308 HydrophobicContact CE1-CD1 3.81Å; F227-L308 HydrophobicContact CE1-CG 4.37Å; F227-L308 HydrophobicContact CZ-CB 4.43Å; V228-L308 HydrophobicContact CG2-CD1 3.61Å; V228-L308 HydrophobicContact CG2-CD2 3.98Å; V228-L308 HydrophobicContact CG2-CG 4.48Å; V267-L308 HydrophobicContact CB-CD2 3.71Å; V267-L308 HydrophobicContact CG1-CD2 3.41Å; V267-L308 VanDerWaalsContact CG1-CD2 3.41Å; V267-L308 HydrophobicContact CG2-CD2 3.9Å; M304-L308 VanDerWaalsContact O-CG 3.3Å; M304-L308 WeakPolarHBondContact O-CG 3.14Å; M304-L308 PolarHBondContact O-N 3.18Å; K306-L308 VanDerWaalsContact C-N 3.31Å; K306-L308 PolarHBondContact O-N 3.32Å; L308-M310 VanDerWaalsContact C-N 3.32Å; L308-I311 HydrophobicContact CD2-CD1 4.36Å; L308-I311 PolarHBondContact O-N 3.06Å; L308-R312 PolarHBondContact O-N 2.94Å
309L91.8Very high90.3Very high81 Ų8156.6 Ų56.642%0.42428%0.281SS..Hα-helixtrans-62.7-43.6176-178.862.1000110.6F227 A305 K306 R312 L313F227-L309 HydrophobicContact CZ-CB 4.44Å; A305-L309 PolarHBondContact O-N 2.95Å; A305-L309 VanDerWaalsContact O-N 3.14Å; K306-L309 PolarHBondContact O-N 2.89Å; K306-L309 VanDerWaalsContact O-N 3.16Å; L309-R312 PolarHBondContact O-N 3.22Å; L309-L313 HydrophobicContact CD1-CD1 3.9Å; L309-L313 HydrophobicContact CD1-CG 4.02Å; L309-L313 HydrophobicContact CD2-CD1 4.32Å; L309-L313 HydrophobicContact CG-CD1 3.74Å; L309-L313 HydrophobicContact CG-CG 4.24Å; L309-L313 WeakPolarHBondContact O-CB 3.45Å; L309-L313 VanDerWaalsContact O-CG 3.3Å; L309-L313 WeakPolarHBondContact O-CG 3.44Å; L309-L313 PolarHBondContact O-N 2.75Å
310M92.8Very high90.9Very high30 Ų3050 Ų5015%0.14825%0.251CS..Hα-helixtrans-66-38.4179.6-63.6-55.1-68.100112.3M28 K306 D307 L308 R312 L313 R314M28-M310 HydrophobicContact CG-CE 3.67Å; M28-M310 HydrophobicContact SD-CE 3.32Å; M28-M310 WeakPolarHBondContact SD-CE 3.37Å; M28-M310 HydrophobicContact SD-SD 3.95Å; K306-M310 HydrophobicContact CG-CG 4.16Å; K306-M310 VanDerWaalsContact O-CG 3.22Å; K306-M310 WeakPolarHBondContact O-CG 3.47Å; K306-M310 PolarHBondContact O-N 3.38Å; D307-M310 PolarHBondContact O-N 3.11Å; L308-M310 VanDerWaalsContact C-N 3.32Å; M310-R312 PolarHBondContact O-N 2.99Å; M310-L313 PolarHBondContact O-N 3.45Å; M310-R314 HydrophobicContact CE-CG 4.26Å; M310-R314 VanDerWaalsContact CE-NE 3.33Å; M310-R314 WeakPolarHBondContact O-CB 3.47Å; M310-R314 VanDerWaalsContact O-CG 3.26Å; M310-R314 WeakPolarHBondContact O-CG 3.42Å; M310-R314 PolarHBondContact O-N 3.02Å
311I93.5Very high91.5Very high0 Ų054 Ų540%027%0.267CS..Hα-helixtrans-53.5-55.7173.5-73.4159.7000109.2V260 A264 V267 D268 Y271 D307 L308 Y315 W320V260-I311 HydrophobicContact CG2-CD1 3.98Å; V260-I311 HydrophobicContact CG2-CG1 3.8Å; A264-I311 HydrophobicContact CB-CD1 4.45Å; V267-I311 HydrophobicContact CB-CD1 4.43Å; D268-I311 HydrophobicContact CB-CD1 3.84Å; D268-I311 HydrophobicContact CB-CG1 4.08Å; Y271-I311 HydrophobicContact CD2-CG2 4.35Å; Y271-I311 HydrophobicContact CG-CG2 4.21Å; D307-I311 VanDerWaalsContact O-CG1 3.23Å; D307-I311 WeakPolarHBondContact O-CG1 3.48Å; D307-I311 PolarHBondContact O-N 3.21Å; L308-I311 HydrophobicContact CD2-CD1 4.36Å; L308-I311 PolarHBondContact O-N 3.06Å; I311-Y315 HydrophobicContact CG2-CD2 3.89Å; I311-Y315 HydrophobicContact CG2-CE2 3.99Å; I311-Y315 WeakPolarHBondContact O-CD2 3.07Å; I311-Y315 PolarHBondContact O-N 2.76Å; I311-Y315 VanDerWaalsContact O-N 3.14Å; I311-W320 HydrophobicContact CB-CZ3 4.33Å; I311-W320 HydrophobicContact CG1-CH2 4.35Å; I311-W320 HydrophobicContact CG1-CZ3 3.93Å
312R92.3Very high91.8Very high115 Ų11550.5 Ų50.543%0.43426%0.256SS..Hα-helixtrans-64.2-48.8-178.2177.155.2169172.72.3112.2V231 L308 L309 M310 S316V231-R312 HydrophobicContact CG1-CB 3.27Å; V231-R312 HydrophobicContact CG1-CG 3.77Å; V231-R312 WeakPolarHBondContact O-CB 3.39Å; V231-R312 WeakPolarHBondContact O-CD 3.15Å; V231-R312 WeakPolarHBondContact O-CG 3.41Å; L308-R312 PolarHBondContact O-N 2.94Å; L309-R312 PolarHBondContact O-N 3.22Å; M310-R312 PolarHBondContact O-N 2.99Å; R312-S316 WeakPolarHBondContact O-CB 3.47Å; R312-S316 PolarHBondContact O-N 3.34Å; R312-S316 PolarHBondContact O-OG 3.22Å
313L93Very high91.7Very high47 Ų4747.1 Ų47.125%0.24624%0.24CC..Hα-helixtrans-62.7-47.8-176.8-70.3178.8000111.3L25 M28 L309 M310 S316 L317L25-L313 HydrophobicContact CD2-CD1 4.37Å; L25-L313 HydrophobicContact CD2-CD2 4.48Å; M28-L313 HydrophobicContact CE-CB 3.98Å; M28-L313 HydrophobicContact SD-CB 4.28Å; M28-L313 HydrophobicContact SD-CD1 4.43Å; L309-L313 HydrophobicContact CD1-CD1 3.9Å; L309-L313 HydrophobicContact CD1-CG 4.02Å; L309-L313 HydrophobicContact CD2-CD1 4.32Å; L309-L313 HydrophobicContact CG-CD1 3.74Å; L309-L313 HydrophobicContact CG-CG 4.24Å; L309-L313 WeakPolarHBondContact O-CB 3.45Å; L309-L313 VanDerWaalsContact O-CG 3.3Å; L309-L313 WeakPolarHBondContact O-CG 3.44Å; L309-L313 PolarHBondContact O-N 2.75Å; M310-L313 PolarHBondContact O-N 3.45Å; L313-S316 PolarHBondContact O-N 3.1Å; L313-S316 PolarHBondContact O-OG 3.04Å; L313-L317 WeakPolarHBondContact O-CB 3.32Å; L313-L317 VanDerWaalsContact O-CG 3.31Å; L313-L317 WeakPolarHBondContact O-CG 3.2Å; L313-L317 PolarHBondContact O-N 3.31Å
314R95.2Very high91Very high60 Ų6048.3 Ų48.323%0.22625%0.253CS..Hα-helixtrans-68.9-40.4-175.7-69.9176.5165.4153.4-5.9113.2M28 T32 M310 G318 A319 W320M28-R314 HydrophobicContact CE-CG 4.46Å; M28-R314 HydrophobicContact SD-CG 4.31Å; T32-R314 HydrophobicContact CG2-CG 4.23Å; T32-R314 PolarHBondContact OG1-NE 3.31Å; T32-R314 VanDerWaalsContact OG1-NE 3.08Å; M310-R314 HydrophobicContact CE-CG 4.26Å; M310-R314 VanDerWaalsContact CE-NE 3.33Å; M310-R314 WeakPolarHBondContact O-CB 3.47Å; M310-R314 VanDerWaalsContact O-CG 3.26Å; M310-R314 WeakPolarHBondContact O-CG 3.42Å; M310-R314 PolarHBondContact O-N 3.02Å; R314-G318 PolarHBondContact O-N 2.87Å; R314-A319 HydrophobicContact CB-CB 4.17Å; R314-A319 HydrophobicContact CG-CB 4.32Å; R314-A319 PolarHBondContact O-N 3.38Å; R314-W320 HydrophobicContact CB-CB 4.18Å; R314-W320 HydrophobicContact CB-CD2 3.61Å; R314-W320 HydrophobicContact CB-CE3 3.86Å; R314-W320 HydrophobicContact CB-CG 3.74Å; R314-W320 HydrophobicContact CG-CD2 4.32Å; R314-W320 PolarHBondContact O-N 2.97Å; R314-W320 VanDerWaalsContact O-N 3.12Å
315Y93.4Very high90.5Very high25 Ų2552.9 Ų52.910%0.09828%0.281CS..Hα-helixtrans-68.9-41.3172.7-74-57.5000112H259 D268 Y271 L272 I311 L317 G318 W320H259-Y315 PolarHBondContact ND1-OH 3.03Å; D268-Y315 WeakPolarHBondContact OD1-CE2 3.48Å; D268-Y315 PolarHBondContact OD1-OH 2.94Å; Y271-Y315 AromaticContact CD1-CD2 3.37Å; Y271-Y315 HydrophobicContact CD1-CD2 3.37Å; Y271-Y315 AromaticContact CD1-CE2 3.59Å; Y271-Y315 HydrophobicContact CD1-CE2 3.59Å; Y271-Y315 AromaticContact CD1-CG 3.98Å; Y271-Y315 HydrophobicContact CD1-CG 3.98Å; Y271-Y315 HydrophobicContact CE1-CD1 4.19Å; Y271-Y315 AromaticContact CE1-CD2 3.25Å; Y271-Y315 HydrophobicContact CE1-CD2 3.25Å; Y271-Y315 AromaticContact CE1-CE2 3.94Å; Y271-Y315 HydrophobicContact CE1-CE2 3.94Å; Y271-Y315 AromaticContact CE1-CG 3.42Å; Y271-Y315 HydrophobicContact CE1-CG 3.42Å; Y271-Y315 VanDerWaalsContact CE1-CG 3.42Å; Y271-Y315 HydrophobicContact CG-CD2 4.18Å; Y271-Y315 HydrophobicContact CG-CE2 4.37Å; Y271-Y315 AromaticContact CZ-CD2 3.97Å; Y271-Y315 WeakPolarHBondContact OH-CB 3.21Å; L272-Y315 HydrophobicContact CD2-CE1 3.93Å; L272-Y315 WeakPolarHBondContact CD2-OH 3.46Å; L272-Y315 WeakPolarHBondContact CG-OH 3.41Å; I311-Y315 HydrophobicContact CG2-CD2 3.89Å; I311-Y315 HydrophobicContact CG2-CE2 3.99Å; I311-Y315 WeakPolarHBondContact O-CD2 3.07Å; I311-Y315 PolarHBondContact O-N 2.76Å; I311-Y315 VanDerWaalsContact O-N 3.14Å; Y315-L317 VanDerWaalsContact C-N 3.33Å; Y315-L317 PolarHBondContact O-N 3.49Å; Y315-G318 PolarHBondContact O-N 3.01Å; Y315-W320 HydrophobicContact CD1-CB 3.83Å; Y315-W320 HydrophobicContact CD1-CE3 4.43Å; Y315-W320 AromaticContact CD2-CE3 3.97Å; Y315-W320 HydrophobicContact CD2-CE3 3.97Å; Y315-W320 HydrophobicContact CD2-CZ3 4.47Å; Y315-W320 HydrophobicContact CE1-CB 3.81Å; Y315-W320 HydrophobicContact CE1-CE3 4.12Å; Y315-W320 AromaticContact CE2-CE3 3.64Å; Y315-W320 HydrophobicContact CE2-CE3 3.64Å; Y315-W320 AromaticContact CE2-CZ3 3.99Å; Y315-W320 HydrophobicContact CE2-CZ3 3.99Å; Y315-W320 HydrophobicContact CG-CE3 4.34Å; Y315-W320 AromaticContact CZ-CE3 3.7Å
316S90.6Very high89.8Confident66 Ų6653.1 Ų53.146%0.46227%0.273SS..Hα-helixtrans-67-32.3-178.767.90000113.8R312 L313 G318R312-S316 WeakPolarHBondContact O-CB 3.47Å; R312-S316 PolarHBondContact O-N 3.34Å; R312-S316 PolarHBondContact O-OG 3.22Å; L313-S316 PolarHBondContact O-N 3.1Å; L313-S316 PolarHBondContact O-OG 3.04Å; S316-G318 VanDerWaalsContact C-N 3.33Å
317L92.3Very high88.5Confident74 Ų7452.4 Ų52.439%0.38728%0.279SS..THydrogen-bonded Turntrans-87.4-1.9176.6-66.3170.3000113L25 M28 Y29 L313 Y315 A319L25-L317 HydrophobicContact CB-CD1 4.44Å; L25-L317 HydrophobicContact CD2-CD1 4.04Å; M28-L317 HydrophobicContact CE-CD1 3.41Å; M28-L317 VanDerWaalsContact CE-CD1 3.41Å; Y29-L317 WeakPolarHBondContact CE2-O 3.49Å; L313-L317 WeakPolarHBondContact O-CB 3.32Å; L313-L317 VanDerWaalsContact O-CG 3.31Å; L313-L317 WeakPolarHBondContact O-CG 3.2Å; L313-L317 PolarHBondContact O-N 3.31Å; Y315-L317 VanDerWaalsContact C-N 3.33Å; Y315-L317 PolarHBondContact O-N 3.49Å; L317-A319 PolarHBondContact O-N 2.9Å
318G92.9Very high88.3Confident30 Ų3054.1 Ų54.131%0.30929%0.288SS..THydrogen-bonded Turntrans65.219.1-174.400000114R314 Y315 S316R314-G318 PolarHBondContact O-N 2.87Å; Y315-G318 PolarHBondContact O-N 3.01Å; S316-G318 VanDerWaalsContact C-N 3.33Å
319A94.7Very high88.2Confident4 Ų456.9 Ų56.93%0.03330%0.303CS..  trans-68.4-45.1174.500000110.1Y29 T32 P34 R314 L317Y29-A319 HydrophobicContact CD2-CB 3.76Å; Y29-A319 HydrophobicContact CE2-CB 4.37Å; T32-A319 HydrophobicContact CG2-CB 4.05Å; P34-A319 VanDerWaalsContact CA-O 3.24Å; P34-A319 WeakPolarHBondContact CA-O 3.28Å; R314-A319 HydrophobicContact CB-CB 4.17Å; R314-A319 HydrophobicContact CG-CB 4.32Å; R314-A319 PolarHBondContact O-N 3.38Å; L317-A319 PolarHBondContact O-N 2.9Å
320W95.4Very high88Confident21 Ų2155.6 Ų55.68%0.0830%0.296CS..SBendtrans-86.9135.4165.5-76.3-19.7000110.2T32 H259 V260 I311 R314 Y315T32-W320 HydrophobicContact CG2-CG 4.34Å; H259-W320 HydrophobicContact CB-CD2 3.86Å; H259-W320 HydrophobicContact CB-CE3 3.96Å; H259-W320 HydrophobicContact CB-CH2 3.56Å; H259-W320 HydrophobicContact CB-CZ2 3.43Å; H259-W320 VanDerWaalsContact CB-CZ2 3.43Å; H259-W320 HydrophobicContact CB-CZ3 3.8Å; H259-W320 AromaticContact CD2-CD1 3.34Å; H259-W320 AromaticContact CD2-CD2 3.7Å; H259-W320 AromaticContact CD2-CE2 3.54Å; H259-W320 AromaticContact CD2-CG 3.6Å; H259-W320 AromaticContact CD2-NE1 3.29Å; H259-W320 PolarHBondContact CD2-NE1 3.3Å; H259-W320 VanDerWaalsContact CD2-NE1 3.29Å; H259-W320 AromaticContact CE1-CG 3.94Å; H259-W320 AromaticContact CG-CD2 3.59Å; H259-W320 AromaticContact CG-CE2 3.6Å; H259-W320 AromaticContact CG-CE3 3.96Å; H259-W320 AromaticContact CG-CG 3.91Å; H259-W320 AromaticContact CG-NE1 3.86Å; H259-W320 AromaticContact ND1-CD2 3.99Å; H259-W320 AromaticContact NE2-CD1 3.52Å; H259-W320 AromaticContact NE2-CG 3.63Å; H259-W320 AromaticContact NE2-NE1 3.99Å; V260-W320 HydrophobicContact CG2-CH2 3.78Å; V260-W320 HydrophobicContact CG2-CZ3 4.34Å; I311-W320 HydrophobicContact CB-CZ3 4.33Å; I311-W320 HydrophobicContact CG1-CH2 4.35Å; I311-W320 HydrophobicContact CG1-CZ3 3.93Å; R314-W320 HydrophobicContact CB-CB 4.18Å; R314-W320 HydrophobicContact CB-CD2 3.61Å; R314-W320 HydrophobicContact CB-CE3 3.86Å; R314-W320 HydrophobicContact CB-CG 3.74Å; R314-W320 HydrophobicContact CG-CD2 4.32Å; R314-W320 PolarHBondContact O-N 2.97Å; R314-W320 VanDerWaalsContact O-N 3.12Å; Y315-W320 HydrophobicContact CD1-CB 3.83Å; Y315-W320 HydrophobicContact CD1-CE3 4.43Å; Y315-W320 AromaticContact CD2-CE3 3.97Å; Y315-W320 HydrophobicContact CD2-CE3 3.97Å; Y315-W320 HydrophobicContact CD2-CZ3 4.47Å; Y315-W320 HydrophobicContact CE1-CB 3.81Å; Y315-W320 HydrophobicContact CE1-CE3 4.12Å; Y315-W320 AromaticContact CE2-CE3 3.64Å; Y315-W320 HydrophobicContact CE2-CE3 3.64Å; Y315-W320 AromaticContact CE2-CZ3 3.99Å; Y315-W320 HydrophobicContact CE2-CZ3 3.99Å; Y315-W320 HydrophobicContact CG-CE3 4.34Å; Y315-W320 AromaticContact CZ-CE3 3.7Å
321K92.9Very high87.7Confident97 Ų9757.1 Ų57.142%0.42231%0.305SS..  trans-120.2156.8-177.4-63.2-172.8-179.5-178.80110P34 Y35P34-K321 HydrophobicContact CB-CB 4.39Å; P34-K321 HydrophobicContact CB-CD 4.04Å; P34-K321 HydrophobicContact CB-CG 4.05Å; P34-K321 WeakPolarHBondContact O-CA 3.29Å; P34-K321 WeakPolarHBondContact O-CB 3.39Å; P34-K321 PolarHBondContact O-N 2.81Å; Y35-K321 HydrophobicContact CD1-CB 4.17Å; Y35-K321 HydrophobicContact CE1-CB 3.64Å
322I89.5Confident87.3Confident41 Ų4160.6 Ų60.621%0.2132%0.324CS..  trans-97.1130.6172.6-73.2157.1000107.5N257 L272 H275 F276 P324 T327N257-I322 VanDerWaalsContact OD1-CA 3.31Å; N257-I322 WeakPolarHBondContact OD1-CA 3.37Å; L272-I322 HydrophobicContact CD2-CD1 4.39Å; L272-I322 HydrophobicContact CD2-CG1 4.3Å; H275-I322 WeakPolarHBondContact CD2-CD1 3.12Å; H275-I322 WeakPolarHBondContact NE2-CD1 3.46Å; F276-I322 HydrophobicContact CE1-CD1 3.93Å; F276-I322 HydrophobicContact CE1-CG2 3.97Å; F276-I322 HydrophobicContact CE2-CD1 4.24Å; F276-I322 HydrophobicContact CZ-CB 4.29Å; F276-I322 HydrophobicContact CZ-CD1 3.51Å; F276-I322 HydrophobicContact CZ-CG1 3.84Å; F276-I322 HydrophobicContact CZ-CG2 3.51Å; I322-P324 WeakPolarHBondContact O-CD 3.39Å; I322-T327 HydrophobicContact CG2-CG2 3.57Å
323D84.4Confident87Confident40 Ų4057 Ų5721%0.21432%0.317CS..  trans-74.6114.8174.5-174-16.1000109.7Y35 N257 V325 Y326Y35-D323 HydrophobicContact CD1-CB 4.14Å; Y35-D323 HydrophobicContact CE1-CB 4.19Å; N257-D323 PolarHBondContact OD1-N 3.19Å; D323-V325 PolarHBondContact O-N 3.42Å; D323-V325 VanDerWaalsContact OD1-CB 3.31Å; D323-V325 WeakPolarHBondContact OD1-CB 3.41Å; D323-V325 VanDerWaalsContact OD1-CG2 3.31Å; D323-V325 WeakPolarHBondContact OD1-CG2 3.41Å; D323-V325 PolarHBondContact OD1-N 3.27Å; D323-Y326 HydrophobicContact CB-CD2 3.92Å; D323-Y326 HydrophobicContact CB-CE2 4.21Å; D323-Y326 PolarHBondContact O-N 3.26Å; D323-Y326 WeakPolarHBondContact OD2-CE2 3.48Å
324P74Confident86.6Confident88 Ų8857.7 Ų57.757%0.57132%0.322SS*.THydrogen-bonded Turntrans-69.2-12.1-176.930.7-36.9000113.3I322 Y326 T327I322-P324 WeakPolarHBondContact O-CD 3.39Å; P324-Y326 PolarHBondContact O-N 2.95Å; P324-T327 WeakPolarHBondContact CA-OG1 3.39Å; P324-T327 PolarHBondContact O-OG1 3.29Å
325V76.7Confident85.9Confident109 Ų10957.5 Ų57.566%0.66133%0.329SS*.THydrogen-bonded Turntrans-64.5-27.8177.1175.80000111.5D323D323-V325 PolarHBondContact O-N 3.42Å; D323-V325 VanDerWaalsContact OD1-CB 3.31Å; D323-V325 WeakPolarHBondContact OD1-CB 3.41Å; D323-V325 VanDerWaalsContact OD1-CG2 3.31Å; D323-V325 WeakPolarHBondContact OD1-CG2 3.41Å; D323-V325 PolarHBondContact OD1-N 3.27Å
326Y75Confident85.3Confident48 Ų4860.3 Ų60.319%0.18835%0.348CS..  trans-101.2-12.5-177.1-54.6-73000114.3T63 R252 H256 D323 P324T63-Y326 HydrophobicContact CG2-CE1 4.36Å; R252-Y326 PolarHBondContact NH1-O 3.3Å; R252-Y326 PolarHBondContact NH2-O 2.83Å; H256-Y326 HydrophobicContact CB-CD1 4.03Å; H256-Y326 HydrophobicContact CB-CD2 3.49Å; H256-Y326 VanDerWaalsContact CB-CD2 3.49Å; H256-Y326 HydrophobicContact CB-CE1 4.26Å; H256-Y326 HydrophobicContact CB-CE2 3.75Å; H256-Y326 HydrophobicContact CB-CG 3.64Å; H256-Y326 AromaticContact CD2-CD1 3.78Å; H256-Y326 AromaticContact CD2-CE1 3.24Å; H256-Y326 WeakPolarHBondContact CD2-CE1 3.14Å; H256-Y326 AromaticContact CD2-CE2 3.75Å; H256-Y326 AromaticContact CD2-CZ 3.22Å; H256-Y326 AromaticContact CE1-CD1 3.8Å; H256-Y326 AromaticContact CE1-CE1 3.67Å; H256-Y326 AromaticContact CG-CD1 3.57Å; H256-Y326 AromaticContact CG-CD2 3.89Å; H256-Y326 AromaticContact CG-CE1 3.56Å; H256-Y326 AromaticContact CG-CE2 3.88Å; H256-Y326 AromaticContact CG-CG 3.73Å; H256-Y326 AromaticContact CG-CZ 3.71Å; H256-Y326 AromaticContact ND1-CD1 3.59Å; H256-Y326 AromaticContact ND1-CE1 3.81Å; H256-Y326 AromaticContact NE2-CD1 3.95Å; H256-Y326 AromaticContact NE2-CE1 3.35Å; H256-Y326 WeakPolarHBondContact NE2-CE1 3.41Å; H256-Y326 AromaticContact NE2-CZ 3.77Å; D323-Y326 HydrophobicContact CB-CD2 3.92Å; D323-Y326 HydrophobicContact CB-CE2 4.21Å; D323-Y326 PolarHBondContact O-N 3.26Å; D323-Y326 WeakPolarHBondContact OD2-CE2 3.48Å; P324-Y326 PolarHBondContact O-N 2.95Å
327T65.2Low84.8Confident105 Ų10559.7 Ų59.764%0.64434%0.338SS*.  trans-69.80177.952.20000113.2L253 F276 I322 P324L253-T327 HydrophobicContact CD1-CG2 3.7Å; F276-T327 HydrophobicContact CE1-CG2 3.84Å; F276-T327 HydrophobicContact CZ-CG2 4.25Å; I322-T327 HydrophobicContact CG2-CG2 3.57Å; P324-T327 WeakPolarHBondContact CA-OG1 3.39Å; P324-T327 PolarHBondContact O-OG1 3.29Å

Retrieved 327 of 327 residues in 589.8 ms (Link to these results)

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