A0A093I9G5_STRCA Loading...

Dynein light chain

AlphaFold DB (A0A803TIZ4), UniProt , Accession A0A093I9G5, Species STRCA (Struthio camelus australis), Gene n/a, Length 89 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
1M47.7Very low82.9Confident221 Ų221112.2 Ų112.2100%1.08958%0.581SS**  0122.20-71164.5-179.400105.7D3M1-D3 PolarHBondContact O-N 3.11Å
2S54.8Low84.2Confident117 Ų117107.8 Ų107.882%0.81856%0.559SS**  trans-70.8111.4178.8-45.70000107.4R4S2-R4 PolarHBondContact O-N 3.08Å
3D59.3Low85.3Confident160 Ų160100.8 Ų100.886%0.85652%0.523SS*.  trans-53.3108.3173-72.1-50.9000108.3M1 K5M1-D3 PolarHBondContact O-N 3.11Å; D3-K5 VanDerWaalsContact C-N 3.26Å; D3-K5 PolarHBondContact O-N 2.87Å
4R77.2Confident86.2Confident138 Ų13898.1 Ų98.152%0.52152%0.516SS..  trans-72.292.3175.4-68.5-176.7-172.2165.66.6106.2S2 A6 L78S2-R4 PolarHBondContact O-N 3.08Å; R4-A6 PolarHBondContact O-N 3.47Å; R4-L78 HydrophobicContact CB-CD2 4.33Å; R4-L78 WeakPolarHBondContact O-CD2 3.41Å
5K86.9Confident87Confident173 Ų173102.7 Ų102.775%0.75253%0.534SS*.  trans-56.8123.7179-175.4175.8-180177.30109.8D3D3-K5 VanDerWaalsContact C-N 3.26Å; D3-K5 PolarHBondContact O-N 2.87Å
6A95.6Very high87.7Confident30 Ų30105.4 Ų105.425%0.24854%0.543CS..EExtended strand (participates in β ladder)trans-71137.3172.200000110.6R4 V22 Y77 L78R4-A6 PolarHBondContact O-N 3.47Å; A6-V22 HydrophobicContact CB-CB 4.4Å; A6-V22 HydrophobicContact CB-CG1 3.6Å; A6-V22 HydrophobicContact CB-CG2 3.82Å; A6-Y77 CarbonylContact C-O 3.56Å; A6-Y77 WeakPolarHBondContact CA-O 3.45Å; A6-L78 HydrophobicContact CB-CD2 3.8Å
7V97.7Very high88.3Confident63 Ų63100.4 Ų100.438%0.38252%0.517SS..EExtended strand (participates in β ladder)trans-124.199.9173-178.60000108.1K9 F76 Y77V7-K9 HydrophobicContact CG1-CD 4.31Å; V7-K9 PolarHBondContact O-N 2.85Å; V7-F76 CarbonylContact O-C 3.59Å; V7-F76 VanDerWaalsContact O-CA 3.3Å; V7-F76 WeakPolarHBondContact O-CA 3.28Å; V7-F76 WeakPolarHBondContact O-CB 3.3Å; V7-Y77 PolarHBondContact N-O 3.38Å; V7-Y77 PolarHBondContact O-N 3.03Å
8I98.1Very high88.9Confident75 Ų7596.9 Ų96.939%0.38550%0.498SS..EExtended strand (participates in β ladder)trans-71.5126.7176.4-56179.2000108.6A11 Q18 F76I8-A11 HydrophobicContact CG2-CB 4.06Å; I8-Q18 HydrophobicContact CD1-CB 4.32Å; I8-Q18 VanDerWaalsContact CD1-OE1 3.3Å; I8-F76 HydrophobicContact CB-CB 4.43Å; I8-F76 HydrophobicContact CG1-CB 4.18Å
9K98.1Very high89.4Confident129 Ų12997.2 Ų97.256%0.56150%0.497SS*.EExtended strand (participates in β ladder)trans-100.6-39.4179.6-66.2-59.9-175.1-178.60111.5V7 Y75 Y77V7-K9 HydrophobicContact CG1-CD 4.31Å; V7-K9 PolarHBondContact O-N 2.85Å; K9-Y75 HydrophobicContact CB-CD1 3.52Å; K9-Y75 HydrophobicContact CB-CE1 3.85Å; K9-Y75 HydrophobicContact CB-CG 4.43Å; K9-Y75 HydrophobicContact CG-CD1 4.16Å; K9-Y75 HydrophobicContact CG-CE1 4.04Å; K9-Y75 PolarHBondContact N-O 3.3Å; K9-Y77 HydrophobicContact CG-CD2 3.81Å; K9-Y77 HydrophobicContact CG-CE2 4.08Å
10N98.1Very high89.8Confident95 Ų9593.9 Ų93.951%0.50848%0.481SS..EExtended strand (participates in β ladder)trans-155.3145.4174.5-166.16.4000109.5F73 Y75N10-F73 HydrophobicContact CB-CE1 4.19Å; N10-Y75 PolarHBondContact N-O 3.23Å; N10-Y75 VanDerWaalsContact N-O 3.11Å; N10-Y75 PolarHBondContact O-N 3.35Å
11A98.3Very high90.2Very high33 Ų3389.5 Ų89.527%0.27346%0.458SS..EExtended strand (participates in β ladder)trans-153.1136.8176.800000110.4I8 Q18 F73 I74I8-A11 HydrophobicContact CG2-CB 4.06Å; A11-Q18 HydrophobicContact CB-CG 4.21Å; A11-F73 CarbonylContact C-O 3.54Å; A11-F73 WeakPolarHBondContact CA-O 3.48Å; A11-I74 HydrophobicContact CB-CB 4.5Å; A11-I74 HydrophobicContact CB-CG1 4.04Å
12D98.4Very high92.7Very high59 Ų5979.9 Ų79.932%0.31641%0.412SS..EExtended strand (participates in β ladder)trans-126.983.6162.4176.128.8000106.7K71 H72 F73D12-K71 CarbonylContact O-C 3.46Å; D12-K71 WeakPolarHBondContact O-CA 3.27Å; D12-K71 PolarHBondContact OD2-N 2.86Å; D12-H72 PolarHBondContact O-N 3.49Å; D12-F73 CarbonylContact C-O 3.55Å; D12-F73 HydrophobicContact CB-CB 4.41Å; D12-F73 PolarHBondContact N-O 3.2Å; D12-F73 PolarHBondContact O-N 2.92Å
13M98.3Very high94.7Very high18 Ų1878.4 Ų78.49%0.08939%0.392CS..SBendtrans-171.6168.717652.516550.800110.1M17 Q18 W54 K71 I74M13-M17 HydrophobicContact CB-CB 4.41Å; M13-M17 HydrophobicContact CB-SD 4.07Å; M13-M17 HydrophobicContact CE-CG 3.77Å; M13-M17 HydrophobicContact CE-SD 3.49Å; M13-M17 WeakPolarHBondContact CE-SD 3.37Å; M13-M17 HydrophobicContact SD-CB 3.95Å; M13-M17 HydrophobicContact SD-CG 3.75Å; M13-M17 HydrophobicContact SD-SD 4.13Å; M13-Q18 HydrophobicContact CG-CG 3.59Å; M13-Q18 PolarHBondContact O-NE2 2.82Å; M13-Q18 VanDerWaalsContact O-NE2 3.08Å; M13-Q18 HydrophobicContact SD-CB 4.45Å; M13-Q18 HydrophobicContact SD-CG 3.78Å; M13-W54 HydrophobicContact CE-CH2 3.94Å; M13-W54 HydrophobicContact CE-CZ3 4.07Å; M13-K71 WeakPolarHBondContact CA-O 3.43Å; M13-K71 VanDerWaalsContact CB-O 3.27Å; M13-K71 WeakPolarHBondContact CB-O 3.48Å; M13-I74 HydrophobicContact CE-CB 4.1Å; M13-I74 HydrophobicContact CE-CG2 3.96Å; M13-I74 HydrophobicContact CG-CB 4.4Å; M13-I74 HydrophobicContact SD-CB 3.78Å; M13-I74 HydrophobicContact SD-CD1 4.24Å; M13-I74 HydrophobicContact SD-CG1 4.48Å; M13-I74 HydrophobicContact SD-CG2 3.98Å
14S98.4Very high96.6Very high62 Ų6271.4 Ų71.443%0.43436%0.356SS..  trans-65.5152.3177.964.20000112.5E16 M17 Q18S14-E16 PolarHBondContact O-N 2.92Å; S14-M17 PolarHBondContact O-N 3.18Å; S14-M17 VanDerWaalsContact O-N 3.08Å; S14-M17 WeakPolarHBondContact OG-CB 3.47Å; S14-M17 PolarHBondContact OG-N 2.82Å; S14-Q18 WeakPolarHBondContact O-CG 3.44Å; S14-Q18 PolarHBondContact O-N 2.91Å
15E98Very high97.6Very high168 Ų16864.9 Ų64.979%0.78533%0.331SS*.Hα-helixtrans-58-37.8177.2-65.3-175168.800112.6M17 Q18 Q19E15-M17 PolarHBondContact O-N 2.87Å; E15-Q18 WeakPolarHBondContact O-CB 3.32Å; E15-Q18 PolarHBondContact O-N 3.2Å; E15-Q19 PolarHBondContact O-N 2.79Å
16E98.3Very high98.1Very high145 Ų14558.8 Ų58.868%0.67831%0.309SS*.Hα-helixtrans-58.5-47.1173.8-175-176.4-179.500111.4S14 Q18 Q19 D20S14-E16 PolarHBondContact O-N 2.92Å; E16-Q18 VanDerWaalsContact C-N 3.31Å; E16-Q18 PolarHBondContact O-N 2.86Å; E16-Q19 PolarHBondContact O-N 2.94Å; E16-D20 WeakPolarHBondContact O-CB 3.4Å; E16-D20 PolarHBondContact O-N 2.99Å
17M98.6Very high98.1Very high20 Ų2062.7 Ų62.710%0.09932%0.322CS..Hα-helixtrans-69.1-30.9178.6-166.7-179.8-63.700112.1M13 S14 E15 S21 F46 Y50 W54M13-M17 HydrophobicContact CB-CB 4.41Å; M13-M17 HydrophobicContact CB-SD 4.07Å; M13-M17 HydrophobicContact CE-CG 3.77Å; M13-M17 HydrophobicContact CE-SD 3.49Å; M13-M17 WeakPolarHBondContact CE-SD 3.37Å; M13-M17 HydrophobicContact SD-CB 3.95Å; M13-M17 HydrophobicContact SD-CG 3.75Å; M13-M17 HydrophobicContact SD-SD 4.13Å; S14-M17 PolarHBondContact O-N 3.18Å; S14-M17 VanDerWaalsContact O-N 3.08Å; S14-M17 WeakPolarHBondContact OG-CB 3.47Å; S14-M17 PolarHBondContact OG-N 2.82Å; E15-M17 PolarHBondContact O-N 2.87Å; M17-S21 WeakPolarHBondContact O-CB 3.49Å; M17-S21 PolarHBondContact O-N 2.79Å; M17-S21 PolarHBondContact O-OG 2.86Å; M17-F46 HydrophobicContact CG-CE1 3.95Å; M17-Y50 HydrophobicContact CE-CD1 3.65Å; M17-Y50 HydrophobicContact CE-CE1 3.8Å; M17-Y50 HydrophobicContact CE-CG 4.14Å; M17-Y50 HydrophobicContact CG-CE1 4.33Å; M17-Y50 HydrophobicContact CG-CE2 4.25Å; M17-W54 HydrophobicContact SD-CH2 3.69Å; M17-W54 HydrophobicContact SD-CZ2 4.12Å
18Q98.6Very high98.1Very high38 Ų3859.7 Ų59.718%0.17830%0.303CS..Hα-helixtrans-65.2-45.5172.6-64.8177.339.400111I8 A11 M13 S14 E15 E16 S21 V22 I74I8-Q18 HydrophobicContact CD1-CB 4.32Å; I8-Q18 VanDerWaalsContact CD1-OE1 3.3Å; A11-Q18 HydrophobicContact CB-CG 4.21Å; M13-Q18 HydrophobicContact CG-CG 3.59Å; M13-Q18 PolarHBondContact O-NE2 2.82Å; M13-Q18 VanDerWaalsContact O-NE2 3.08Å; M13-Q18 HydrophobicContact SD-CB 4.45Å; M13-Q18 HydrophobicContact SD-CG 3.78Å; S14-Q18 WeakPolarHBondContact O-CG 3.44Å; S14-Q18 PolarHBondContact O-N 2.91Å; E15-Q18 WeakPolarHBondContact O-CB 3.32Å; E15-Q18 PolarHBondContact O-N 3.2Å; E16-Q18 VanDerWaalsContact C-N 3.31Å; E16-Q18 PolarHBondContact O-N 2.86Å; Q18-S21 WeakPolarHBondContact O-CB 3.27Å; Q18-S21 PolarHBondContact O-N 3.43Å; Q18-V22 WeakPolarHBondContact O-CG2 3.49Å; Q18-V22 PolarHBondContact O-N 3.27Å; Q18-I74 HydrophobicContact CB-CD1 3.95Å; Q18-I74 HydrophobicContact CG-CD1 3.93Å
19Q98.1Very high98.1Very high102 Ų10256.9 Ų56.948%0.47729%0.289SS..Hα-helixtrans-61.8-46.9176.9-175.359.532.800111E15 E16 S21 V22 E23E15-Q19 PolarHBondContact O-N 2.79Å; E16-Q19 PolarHBondContact O-N 2.94Å; Q19-S21 VanDerWaalsContact C-N 3.27Å; Q19-S21 PolarHBondContact O-N 3.3Å; Q19-V22 PolarHBondContact O-N 2.9Å; Q19-V22 VanDerWaalsContact O-N 3.16Å; Q19-E23 WeakPolarHBondContact CG-OE1 3.1Å; Q19-E23 PolarHBondContact NE2-OE1 3.14Å; Q19-E23 WeakPolarHBondContact O-CG 3.17Å; Q19-E23 PolarHBondContact O-N 2.97Å
20D98.4Very high97.9Very high32 Ų3257.4 Ų57.417%0.17129%0.293CS..Hα-helixtrans-58-38.2174.4-79-48.1000112.4E16 C24 F46 K49 Y50E16-D20 WeakPolarHBondContact O-CB 3.4Å; E16-D20 PolarHBondContact O-N 2.99Å; D20-C24 WeakPolarHBondContact O-CB 3.49Å; D20-C24 PolarHBondContact O-N 2.82Å; D20-F46 HydrophobicContact CB-CZ 4.47Å; D20-K49 IonicContact OD1-NZ 2.85Å; D20-K49 PolarHBondContact OD1-NZ 2.71Å; D20-K49 IonicContact OD2-NZ 2.71Å; D20-K49 PolarHBondContact OD2-NZ 2.93Å; D20-Y50 WeakPolarHBondContact CB-OH 3.43Å; D20-Y50 VanDerWaalsContact CG-OH 3.24Å; D20-Y50 PolarHBondContact OD2-OH 2.94Å
21S98.5Very high97.9Very high1 Ų159.7 Ų59.71%0.00730%0.299CS..Hα-helixtrans-64.6-44.3176.6-590000111.7M17 Q18 Q19 A25 F46M17-S21 WeakPolarHBondContact O-CB 3.49Å; M17-S21 PolarHBondContact O-N 2.79Å; M17-S21 PolarHBondContact O-OG 2.86Å; Q18-S21 WeakPolarHBondContact O-CB 3.27Å; Q18-S21 PolarHBondContact O-N 3.43Å; Q19-S21 VanDerWaalsContact C-N 3.27Å; Q19-S21 PolarHBondContact O-N 3.3Å; S21-A25 VanDerWaalsContact O-CB 3.28Å; S21-A25 WeakPolarHBondContact O-CB 3.38Å; S21-A25 PolarHBondContact O-N 3.08Å; S21-F46 WeakPolarHBondContact OG-CE1 3.41Å; S21-F46 WeakPolarHBondContact OG-CZ 3.43Å
22V98.3Very high97.8Very high19 Ų1961.1 Ų61.112%0.11530%0.298CS..Hα-helixtrans-66.5-44.2178.9168.30000111A6 Q18 Q19 A25 T26 F76 L78A6-V22 HydrophobicContact CB-CB 4.4Å; A6-V22 HydrophobicContact CB-CG1 3.6Å; A6-V22 HydrophobicContact CB-CG2 3.82Å; Q18-V22 WeakPolarHBondContact O-CG2 3.49Å; Q18-V22 PolarHBondContact O-N 3.27Å; Q19-V22 PolarHBondContact O-N 2.9Å; Q19-V22 VanDerWaalsContact O-N 3.16Å; V22-A25 PolarHBondContact O-N 3.16Å; V22-T26 WeakPolarHBondContact O-CB 3.38Å; V22-T26 PolarHBondContact O-N 3.01Å; V22-T26 PolarHBondContact O-OG1 3.26Å; V22-F76 HydrophobicContact CG2-CD2 4.07Å; V22-F76 HydrophobicContact CG2-CE2 3.92Å; V22-F76 HydrophobicContact CG2-CZ 4.32Å; V22-L78 HydrophobicContact CG1-CD2 4.47Å
23E98Very high97.6Very high86 Ų8665.9 Ų65.940%0.40232%0.323SS..Hα-helixtrans-65.3-47178.4-72.9178.5-166.800111.5Q19 A25 T26 Q27Q19-E23 WeakPolarHBondContact CG-OE1 3.1Å; Q19-E23 PolarHBondContact NE2-OE1 3.14Å; Q19-E23 WeakPolarHBondContact O-CG 3.17Å; Q19-E23 PolarHBondContact O-N 2.97Å; E23-A25 VanDerWaalsContact C-N 3.33Å; E23-A25 PolarHBondContact O-N 3.31Å; E23-T26 WeakPolarHBondContact O-CB 3.37Å; E23-T26 PolarHBondContact O-N 3.21Å; E23-T26 VanDerWaalsContact O-N 3.17Å; E23-Q27 WeakPolarHBondContact O-CG 3.09Å; E23-Q27 PolarHBondContact O-N 2.58Å
24C98.4Very high97.6Very high14 Ų1469.5 Ų69.510%0.09534%0.342CS..Hα-helixtrans-59.5-44.5176.7-175.70000111.4D20 T26 Q27 A28 F46D20-C24 WeakPolarHBondContact O-CB 3.49Å; D20-C24 PolarHBondContact O-N 2.82Å; C24-T26 VanDerWaalsContact C-N 3.35Å; C24-T26 PolarHBondContact O-N 2.9Å; C24-Q27 PolarHBondContact O-N 2.71Å; C24-A28 VanDerWaalsContact O-CB 3.31Å; C24-A28 WeakPolarHBondContact O-CB 3.4Å; C24-A28 PolarHBondContact O-N 2.92Å; C24-F46 HydrophobicContact CB-CE2 4.07Å
25A98.3Very high97.6Very high0 Ų070.3 Ų70.30%034%0.339CS..Hα-helixtrans-66.5-35.3176.700000112.9S21 V22 E23 A28 L29 I42 F76 L78 I83S21-A25 VanDerWaalsContact O-CB 3.28Å; S21-A25 WeakPolarHBondContact O-CB 3.38Å; S21-A25 PolarHBondContact O-N 3.08Å; V22-A25 PolarHBondContact O-N 3.16Å; E23-A25 VanDerWaalsContact C-N 3.33Å; E23-A25 PolarHBondContact O-N 3.31Å; A25-A28 PolarHBondContact O-N 3.28Å; A25-L29 WeakPolarHBondContact O-CB 3.42Å; A25-L29 WeakPolarHBondContact O-CD1 3.34Å; A25-L29 VanDerWaalsContact O-CG 3.32Å; A25-L29 WeakPolarHBondContact O-CG 3.49Å; A25-L29 PolarHBondContact O-N 2.89Å; A25-I42 HydrophobicContact CB-CD1 3.72Å; A25-I42 HydrophobicContact CB-CG1 4.42Å; A25-F76 HydrophobicContact CB-CE2 3.99Å; A25-F76 HydrophobicContact CB-CZ 3.66Å; A25-L78 HydrophobicContact CB-CD1 3.67Å; A25-I83 HydrophobicContact CB-CG1 4.38Å
26T97.3Very high97.6Very high46 Ų4669.6 Ų69.628%0.28233%0.333SS..Hα-helixtrans-63.2-50175.5-60.30000110.6V22 E23 C24 A28 L29 E30V22-T26 WeakPolarHBondContact O-CB 3.38Å; V22-T26 PolarHBondContact O-N 3.01Å; V22-T26 PolarHBondContact O-OG1 3.26Å; E23-T26 WeakPolarHBondContact O-CB 3.37Å; E23-T26 PolarHBondContact O-N 3.21Å; E23-T26 VanDerWaalsContact O-N 3.17Å; C24-T26 VanDerWaalsContact C-N 3.35Å; C24-T26 PolarHBondContact O-N 2.9Å; T26-A28 VanDerWaalsContact C-N 3.32Å; T26-A28 PolarHBondContact O-N 2.72Å; T26-L29 PolarHBondContact O-N 2.8Å; T26-E30 WeakPolarHBondContact O-CG 3.35Å; T26-E30 PolarHBondContact O-N 2.98Å; T26-E30 VanDerWaalsContact O-N 3.11Å
27Q96.8Very high97.6Very high111 Ų11165.2 Ų65.252%0.51931%0.314SS..Hα-helixtrans-61-41.4176.5-67172.522.100111.8E23 C24 L29 E30 K31E23-Q27 WeakPolarHBondContact O-CG 3.09Å; E23-Q27 PolarHBondContact O-N 2.58Å; C24-Q27 PolarHBondContact O-N 2.71Å; Q27-L29 VanDerWaalsContact C-N 3.34Å; Q27-L29 PolarHBondContact O-N 3.32Å; Q27-E30 PolarHBondContact O-N 2.92Å; Q27-K31 WeakPolarHBondContact O-CB 3.44Å; Q27-K31 PolarHBondContact O-N 2.85Å; Q27-K31 VanDerWaalsContact O-N 3.11Å
28A97.9Very high97.6Very high0 Ų064.5 Ų64.50%031%0.311CS..Hα-helixtrans-61.4-42.7177.100000111.8C24 A25 T26 E30 K31 Y32 I38 H41 I42C24-A28 VanDerWaalsContact O-CB 3.31Å; C24-A28 WeakPolarHBondContact O-CB 3.4Å; C24-A28 PolarHBondContact O-N 2.92Å; A25-A28 PolarHBondContact O-N 3.28Å; T26-A28 VanDerWaalsContact C-N 3.32Å; T26-A28 PolarHBondContact O-N 2.72Å; A28-E30 VanDerWaalsContact C-N 3.29Å; A28-E30 PolarHBondContact O-N 2.89Å; A28-K31 PolarHBondContact O-N 3.46Å; A28-Y32 HydrophobicContact CB-CD2 4.43Å; A28-Y32 WeakPolarHBondContact O-CB 3.48Å; A28-Y32 VanDerWaalsContact O-CD2 3.31Å; A28-Y32 WeakPolarHBondContact O-CD2 3.47Å; A28-Y32 PolarHBondContact O-N 3.3Å; A28-I38 HydrophobicContact CB-CB 4.49Å; A28-I38 HydrophobicContact CB-CG2 3.75Å; A28-H41 HydrophobicContact CB-CB 4.43Å; A28-I42 HydrophobicContact CB-CD1 4.35Å; A28-I42 HydrophobicContact CB-CG1 3.98Å
29L96.2Very high97.6Very high16 Ų1663.3 Ų63.38%0.08431%0.308CS..Hα-helixtrans-71.2-20179-81.9166.9000114.2A25 T26 Q27 I38 L78A25-L29 WeakPolarHBondContact O-CB 3.42Å; A25-L29 WeakPolarHBondContact O-CD1 3.34Å; A25-L29 VanDerWaalsContact O-CG 3.32Å; A25-L29 WeakPolarHBondContact O-CG 3.49Å; A25-L29 PolarHBondContact O-N 2.89Å; T26-L29 PolarHBondContact O-N 2.8Å; Q27-L29 VanDerWaalsContact C-N 3.34Å; Q27-L29 PolarHBondContact O-N 3.32Å; L29-I38 HydrophobicContact CD2-CD1 3.6Å; L29-I38 HydrophobicContact CD2-CG2 4.49Å; L29-I38 HydrophobicContact CG-CD1 4.41Å; L29-I38 HydrophobicContact CG-CG2 4.32Å; L29-L78 HydrophobicContact CD1-CB 3.78Å; L29-L78 HydrophobicContact CD1-CD1 3.63Å; L29-L78 HydrophobicContact CD1-CG 4.37Å
30E95.3Very high97.6Very high140 Ų14060.3 Ų60.365%0.65430%0.3SS*.Hα-helixtrans-82.3-32.7171.9-71.8177.2171.500111.9T26 Q27 A28T26-E30 WeakPolarHBondContact O-CG 3.35Å; T26-E30 PolarHBondContact O-N 2.98Å; T26-E30 VanDerWaalsContact O-N 3.11Å; Q27-E30 PolarHBondContact O-N 2.92Å; A28-E30 VanDerWaalsContact C-N 3.29Å; A28-E30 PolarHBondContact O-N 2.89Å
31K96.9Very high97.7Very high143 Ų14360.2 Ų60.262%0.62230%0.299SS*.Hα-helixtrans-90-31.2-175.1-172.4173179.1-175.50114Q27 A28Q27-K31 WeakPolarHBondContact O-CB 3.44Å; Q27-K31 PolarHBondContact O-N 2.85Å; Q27-K31 VanDerWaalsContact O-N 3.11Å; A28-K31 PolarHBondContact O-N 3.46Å
32Y97.3Very high97.7Very high64 Ų6460.2 Ų60.225%0.25130%0.299SS..  trans-124.8142.5-171.7-54.8-72.6000111.5A28 D37 H41A28-Y32 HydrophobicContact CB-CD2 4.43Å; A28-Y32 WeakPolarHBondContact O-CB 3.48Å; A28-Y32 VanDerWaalsContact O-CD2 3.31Å; A28-Y32 WeakPolarHBondContact O-CD2 3.47Å; A28-Y32 PolarHBondContact O-N 3.3Å; Y32-D37 HydrophobicContact CD1-CB 4.07Å; Y32-D37 HydrophobicContact CG-CB 4.21Å; Y32-H41 HydrophobicContact CD2-CB 4.17Å; Y32-H41 HydrophobicContact CE2-CB 3.64Å; Y32-H41 AromaticContact CE2-CG 3.61Å; Y32-H41 AromaticContact CE2-ND1 3.76Å
33N94.6Very high97.7Very high158 Ų15862 Ų6285%0.84531%0.305SS*.SBendtrans-104.6-10-179.3-67-47.9000113.9
34I97.3Very high97.7Very high94 Ų9464.7 Ų64.748%0.48232%0.315SS..SBendtrans-109.9128-176-58.4177.1000108.6K36 D37 I38I34-K36 HydrophobicContact CG2-CB 4.09Å; I34-K36 PolarHBondContact O-N 2.84Å; I34-D37 PolarHBondContact O-N 2.91Å; I34-I38 WeakPolarHBondContact O-CG1 3.31Å; I34-I38 PolarHBondContact O-N 2.96Å; I34-I38 VanDerWaalsContact O-N 3.14Å
35E98.1Very high97.7Very high79 Ų7967.8 Ų67.837%0.36933%0.328SS..Hα-helixtrans-56.1-38.1-175.3-67.1101.1158.500113.1D37 I38 A39 V58E35-D37 VanDerWaalsContact C-N 3.3Å; E35-D37 PolarHBondContact O-N 2.87Å; E35-I38 PolarHBondContact O-N 3.04Å; E35-A39 WeakPolarHBondContact O-CB 3.36Å; E35-A39 PolarHBondContact O-N 3.44Å; E35-V58 HydrophobicContact CB-CB 4.12Å; E35-V58 HydrophobicContact CB-CG1 3.99Å; E35-V58 WeakPolarHBondContact CB-O 3.44Å; E35-V58 HydrophobicContact CG-CG1 3.96Å
36K98.3Very high97.8Very high153 Ų15368 Ų6867%0.66533%0.329SS*.Hα-helixtrans-56.3-43.6175.7-174-159.369.9175.10112.2I34 A40I34-K36 HydrophobicContact CG2-CB 4.09Å; I34-K36 PolarHBondContact O-N 2.84Å; K36-A40 VanDerWaalsContact O-CB 3.3Å; K36-A40 WeakPolarHBondContact O-CB 3.29Å; K36-A40 PolarHBondContact O-N 2.99Å
37D98.5Very high97.8Very high53 Ų5367.4 Ų67.428%0.28332%0.324SS..Hα-helixtrans-76.2-35-176.2-61.8-25.8000111.1Y32 I34 E35 A40 H41Y32-D37 HydrophobicContact CD1-CB 4.07Å; Y32-D37 HydrophobicContact CG-CB 4.21Å; I34-D37 PolarHBondContact O-N 2.91Å; E35-D37 VanDerWaalsContact C-N 3.3Å; E35-D37 PolarHBondContact O-N 2.87Å; D37-A40 PolarHBondContact O-N 3.41Å; D37-H41 WeakPolarHBondContact O-CB 3.39Å; D37-H41 PolarHBondContact O-N 2.94Å
38I98.7Very high97.9Very high6 Ų670.2 Ų70.23%0.03134%0.335CS..Hα-helixtrans-60.1-52.3171.3-61.6161.4000109.8A28 L29 I34 E35 A40 H41 I42 V58A28-I38 HydrophobicContact CB-CB 4.49Å; A28-I38 HydrophobicContact CB-CG2 3.75Å; L29-I38 HydrophobicContact CD2-CD1 3.6Å; L29-I38 HydrophobicContact CD2-CG2 4.49Å; L29-I38 HydrophobicContact CG-CD1 4.41Å; L29-I38 HydrophobicContact CG-CG2 4.32Å; I34-I38 WeakPolarHBondContact O-CG1 3.31Å; I34-I38 PolarHBondContact O-N 2.96Å; I34-I38 VanDerWaalsContact O-N 3.14Å; E35-I38 PolarHBondContact O-N 3.04Å; I38-A40 VanDerWaalsContact C-N 3.33Å; I38-A40 PolarHBondContact O-N 3.45Å; I38-H41 PolarHBondContact O-N 3.21Å; I38-I42 HydrophobicContact CG2-CD1 3.9Å; I38-I42 WeakPolarHBondContact O-CG1 3.3Å; I38-I42 PolarHBondContact O-N 3.17Å; I38-V58 HydrophobicContact CB-CG1 4.43Å; I38-V58 HydrophobicContact CB-CG2 4.48Å; I38-V58 HydrophobicContact CG2-CG1 4.15Å; I38-V58 HydrophobicContact CG2-CG2 4Å
39A98.8Very high97.9Very high13 Ų1375.8 Ų75.811%0.10736%0.359CS..Hα-helixtrans-59.8-43.9179.100000111.8E35 H41 I42 K43 C56 V58E35-A39 WeakPolarHBondContact O-CB 3.36Å; E35-A39 PolarHBondContact O-N 3.44Å; A39-H41 VanDerWaalsContact C-N 3.32Å; A39-H41 PolarHBondContact O-N 2.93Å; A39-I42 PolarHBondContact O-N 3.42Å; A39-K43 VanDerWaalsContact O-CB 3.27Å; A39-K43 WeakPolarHBondContact O-CB 3.39Å; A39-K43 PolarHBondContact O-N 3.11Å; A39-C56 HydrophobicContact CB-CB 4.27Å; A39-C56 WeakPolarHBondContact O-CB 3.49Å; A39-V58 HydrophobicContact CB-CB 4.23Å; A39-V58 HydrophobicContact CB-CG2 3.75Å
40A98.8Very high98Very high38 Ų3876.8 Ų76.831%0.31436%0.362SS..Hα-helixtrans-63.5-36.8178.100000112.5K36 D37 I38 K44K36-A40 VanDerWaalsContact O-CB 3.3Å; K36-A40 WeakPolarHBondContact O-CB 3.29Å; K36-A40 PolarHBondContact O-N 2.99Å; D37-A40 PolarHBondContact O-N 3.41Å; I38-A40 VanDerWaalsContact C-N 3.33Å; I38-A40 PolarHBondContact O-N 3.45Å; A40-K44 WeakPolarHBondContact O-CB 3.19Å; A40-K44 WeakPolarHBondContact O-CG 3.45Å; A40-K44 PolarHBondContact O-N 3.45Å; A40-K44 VanDerWaalsContact O-N 3.16Å
41H98.8Very high98.2Very high31 Ų3175.5 Ų75.514%0.14436%0.359CS..Hα-helixtrans-65.6-53.6175.8-17976.3000111.4A28 Y32 D37 I38 A39 K43 K44 E45A28-H41 HydrophobicContact CB-CB 4.43Å; Y32-H41 HydrophobicContact CD2-CB 4.17Å; Y32-H41 HydrophobicContact CE2-CB 3.64Å; Y32-H41 AromaticContact CE2-CG 3.61Å; Y32-H41 AromaticContact CE2-ND1 3.76Å; D37-H41 WeakPolarHBondContact O-CB 3.39Å; D37-H41 PolarHBondContact O-N 2.94Å; I38-H41 PolarHBondContact O-N 3.21Å; A39-H41 VanDerWaalsContact C-N 3.32Å; A39-H41 PolarHBondContact O-N 2.93Å; H41-K43 VanDerWaalsContact C-N 3.33Å; H41-K43 PolarHBondContact O-N 3.11Å; H41-K44 PolarHBondContact O-N 3.48Å; H41-K44 VanDerWaalsContact O-N 3.16Å; H41-E45 PolarHBondContact O-N 2.77Å
42I98.8Very high98.2Very high1 Ų172.6 Ų72.61%0.00536%0.355CS..Hα-helixtrans-57.7-48.1-178.9-61.5164.6000110.4A25 A28 I38 A39 K44 E45 F46 V58 I83 L85A25-I42 HydrophobicContact CB-CD1 3.72Å; A25-I42 HydrophobicContact CB-CG1 4.42Å; A28-I42 HydrophobicContact CB-CD1 4.35Å; A28-I42 HydrophobicContact CB-CG1 3.98Å; I38-I42 HydrophobicContact CG2-CD1 3.9Å; I38-I42 WeakPolarHBondContact O-CG1 3.3Å; I38-I42 PolarHBondContact O-N 3.17Å; A39-I42 PolarHBondContact O-N 3.42Å; I42-K44 PolarHBondContact O-N 3.27Å; I42-E45 PolarHBondContact O-N 2.77Å; I42-F46 HydrophobicContact CG2-CD2 4.09Å; I42-F46 HydrophobicContact CG2-CE2 4.41Å; I42-F46 WeakPolarHBondContact O-CB 3.15Å; I42-F46 WeakPolarHBondContact O-CD2 3.5Å; I42-F46 PolarHBondContact O-N 2.78Å; I42-V58 HydrophobicContact CD1-CG2 4.35Å; I42-I83 HydrophobicContact CD1-CG2 4.17Å; I42-L85 HydrophobicContact CG2-CD1 4.02Å; I42-L85 HydrophobicContact CG2-CD2 3.82Å; I42-L85 HydrophobicContact CG2-CG 4.46Å
43K98.8Very high98.3Very high57 Ų5772.3 Ų72.325%0.24836%0.36CS..Hα-helixtrans-54.5-48.9177-171.3-147.6-178.3-51.60111.9A39 H41 F46 D47 W54 C56A39-K43 VanDerWaalsContact O-CB 3.27Å; A39-K43 WeakPolarHBondContact O-CB 3.39Å; A39-K43 PolarHBondContact O-N 3.11Å; H41-K43 VanDerWaalsContact C-N 3.33Å; H41-K43 PolarHBondContact O-N 3.11Å; K43-F46 PolarHBondContact O-N 3Å; K43-D47 IonicContact NZ-OD1 3.57Å; K43-D47 IonicContact NZ-OD2 2.63Å; K43-D47 PolarHBondContact NZ-OD2 3.06Å; K43-D47 WeakPolarHBondContact O-CB 3.28Å; K43-D47 VanDerWaalsContact O-CG 3.29Å; K43-D47 PolarHBondContact O-N 3.12Å; K43-W54 WeakPolarHBondContact CE-O 3.49Å; K43-W54 HydrophobicContact CG-CB 4.3Å; K43-W54 WeakPolarHBondContact CG-O 3.48Å; K43-W54 PolarHBondContact NZ-O 3.17Å; K43-C56 HydrophobicContact CB-CB 4.06Å
44K98.7Very high98.5Very high142 Ų14264.8 Ų64.862%0.61732%0.32SS*.Hα-helixtrans-65-41.7-177.7-78174.8-179.4-179.10112.6A40 H41 I42 F46 K48A40-K44 WeakPolarHBondContact O-CB 3.19Å; A40-K44 WeakPolarHBondContact O-CG 3.45Å; A40-K44 PolarHBondContact O-N 3.45Å; A40-K44 VanDerWaalsContact O-N 3.16Å; H41-K44 PolarHBondContact O-N 3.48Å; H41-K44 VanDerWaalsContact O-N 3.16Å; I42-K44 PolarHBondContact O-N 3.27Å; K44-F46 VanDerWaalsContact C-N 3.34Å; K44-K48 WeakPolarHBondContact O-CB 3.43Å; K44-K48 PolarHBondContact O-N 3.36Å
45E98.8Very high98.5Very high79 Ų7963.6 Ų63.637%0.36931%0.312SS..Hα-helixtrans-66-40.1177.2-68.8-54.8132.200111.1H41 I42 K48 K49H41-E45 PolarHBondContact O-N 2.77Å; I42-E45 PolarHBondContact O-N 2.77Å; E45-K48 PolarHBondContact O-N 2.85Å; E45-K49 WeakPolarHBondContact O-CB 3.32Å; E45-K49 PolarHBondContact O-N 3.3Å
46F98.7Very high98.6Very high5 Ų560.9 Ų60.92%0.02230%0.302CS..Hα-helixtrans-69.5-39.9176.4-91-105.2000113.3M17 D20 S21 C24 I42 K43 K44 K48 K49 Y50 W54 L85M17-F46 HydrophobicContact CG-CE1 3.95Å; D20-F46 HydrophobicContact CB-CZ 4.47Å; S21-F46 WeakPolarHBondContact OG-CE1 3.41Å; S21-F46 WeakPolarHBondContact OG-CZ 3.43Å; C24-F46 HydrophobicContact CB-CE2 4.07Å; I42-F46 HydrophobicContact CG2-CD2 4.09Å; I42-F46 HydrophobicContact CG2-CE2 4.41Å; I42-F46 WeakPolarHBondContact O-CB 3.15Å; I42-F46 WeakPolarHBondContact O-CD2 3.5Å; I42-F46 PolarHBondContact O-N 2.78Å; K43-F46 PolarHBondContact O-N 3Å; K44-F46 VanDerWaalsContact C-N 3.34Å; F46-K48 VanDerWaalsContact C-N 3.26Å; F46-K48 PolarHBondContact O-N 3.33Å; F46-K49 PolarHBondContact O-N 2.82Å; F46-Y50 HydrophobicContact CB-CD2 4.38Å; F46-Y50 AromaticContact CD1-CD2 3.38Å; F46-Y50 HydrophobicContact CD1-CD2 3.38Å; F46-Y50 AromaticContact CD1-CE2 3.64Å; F46-Y50 HydrophobicContact CD1-CE2 3.64Å; F46-Y50 HydrophobicContact CD1-CG 4.5Å; F46-Y50 AromaticContact CE1-CD2 3.67Å; F46-Y50 HydrophobicContact CE1-CD2 3.67Å; F46-Y50 AromaticContact CE1-CE2 3.43Å; F46-Y50 HydrophobicContact CE1-CE2 3.43Å; F46-Y50 VanDerWaalsContact CE1-CE2 3.43Å; F46-Y50 HydrophobicContact CE2-CE2 4.45Å; F46-Y50 AromaticContact CG-CD2 3.98Å; F46-Y50 HydrophobicContact CG-CD2 3.98Å; F46-Y50 HydrophobicContact CG-CE2 4.23Å; F46-Y50 HydrophobicContact CZ-CD2 4.44Å; F46-Y50 AromaticContact CZ-CE2 3.85Å; F46-Y50 HydrophobicContact CZ-CE2 3.85Å; F46-Y50 WeakPolarHBondContact O-CA 3.32Å; F46-Y50 PolarHBondContact O-N 3.19Å; F46-W54 VanDerWaalsContact C-CD1 3.46Å; F46-W54 HydrophobicContact CB-CB 4.19Å; F46-W54 HydrophobicContact CB-CD2 3.79Å; F46-W54 HydrophobicContact CB-CE3 4.34Å; F46-W54 HydrophobicContact CB-CG 3.7Å; F46-W54 AromaticContact CD1-CD2 3.93Å; F46-W54 HydrophobicContact CD1-CD2 3.93Å; F46-W54 AromaticContact CD1-CE2 3.84Å; F46-W54 AromaticContact CD1-CE3 3.91Å; F46-W54 HydrophobicContact CD1-CE3 3.91Å; F46-W54 AromaticContact CD1-CH2 3.72Å; F46-W54 HydrophobicContact CD1-CH2 3.72Å; F46-W54 AromaticContact CD1-CZ2 3.73Å; F46-W54 HydrophobicContact CD1-CZ2 3.73Å; F46-W54 AromaticContact CD1-CZ3 3.82Å; F46-W54 HydrophobicContact CD1-CZ3 3.82Å; F46-W54 HydrophobicContact CE1-CH2 4.14Å; F46-W54 HydrophobicContact CE1-CZ2 4.44Å; F46-W54 HydrophobicContact CE1-CZ3 4.34Å; F46-W54 HydrophobicContact CG-CD2 4.31Å; F46-W54 HydrophobicContact CG-CE3 4.47Å; F46-W54 PolarHBondContact O-NE1 2.88Å; F46-L85 HydrophobicContact CD1-CD2 3.67Å; F46-L85 HydrophobicContact CD1-CG 4.46Å; F46-L85 HydrophobicContact CD2-CD2 3.81Å; F46-L85 HydrophobicContact CE1-CD2 3.63Å; F46-L85 HydrophobicContact CE2-CD2 3.78Å; F46-L85 HydrophobicContact CG-CD1 4.44Å; F46-L85 HydrophobicContact CG-CD2 3.78Å; F46-L85 HydrophobicContact CZ-CD2 3.72Å
47D98.6Very high98.6Very high33 Ų3356.6 Ų56.618%0.17629%0.285CS..Hα-helixtrans-57.3-42.2171-76.3-29.1000111.2K43 N51 P52 W54K43-D47 IonicContact NZ-OD1 3.57Å; K43-D47 IonicContact NZ-OD2 2.63Å; K43-D47 PolarHBondContact NZ-OD2 3.06Å; K43-D47 WeakPolarHBondContact O-CB 3.28Å; K43-D47 VanDerWaalsContact O-CG 3.29Å; K43-D47 PolarHBondContact O-N 3.12Å; D47-N51 CarbonylContact O-C 3.3Å; D47-N51 VanDerWaalsContact O-C 3.3Å; D47-N51 WeakPolarHBondContact O-CA 3.31Å; D47-N51 PolarHBondContact O-N 2.83Å; D47-P52 HydrophobicContact CB-CB 4.41Å; D47-P52 WeakPolarHBondContact O-CD 3.46Å; D47-P52 WeakPolarHBondContact OD1-CA 3.36Å; D47-W54 WeakPolarHBondContact OD1-CB 3.45Å; D47-W54 PolarHBondContact OD1-N 3.39Å
48K98.6Very high98.6Very high170 Ų17054.8 Ų54.874%0.73928%0.276SS*.Hα-helixtrans-71.4-41.4-179.5-175.8-176.9174.7-168.80112.5K44 E45 F46K44-K48 WeakPolarHBondContact O-CB 3.43Å; K44-K48 PolarHBondContact O-N 3.36Å; E45-K48 PolarHBondContact O-N 2.85Å; F46-K48 VanDerWaalsContact C-N 3.26Å; F46-K48 PolarHBondContact O-N 3.33Å
49K98.4Very high98.6Very high116 Ų11655 Ų5550%0.50428%0.279SS..Hα-helixtrans-84.8-37.6-174.3-169.8175.2-179.6-168.20113.1D20 E45 F46D20-K49 IonicContact OD1-NZ 2.85Å; D20-K49 PolarHBondContact OD1-NZ 2.71Å; D20-K49 IonicContact OD2-NZ 2.71Å; D20-K49 PolarHBondContact OD2-NZ 2.93Å; E45-K49 WeakPolarHBondContact O-CB 3.32Å; E45-K49 PolarHBondContact O-N 3.3Å; F46-K49 PolarHBondContact O-N 2.82Å
50Y98.2Very high98.5Very high38 Ų3862 Ų6215%0.14930%0.303CS..Hα-helixtrans-120.717.3-171.9-54.1-72.9000114M17 D20 F46 W54 K87M17-Y50 HydrophobicContact CE-CD1 3.65Å; M17-Y50 HydrophobicContact CE-CE1 3.8Å; M17-Y50 HydrophobicContact CE-CG 4.14Å; M17-Y50 HydrophobicContact CG-CE1 4.33Å; M17-Y50 HydrophobicContact CG-CE2 4.25Å; D20-Y50 WeakPolarHBondContact CB-OH 3.43Å; D20-Y50 VanDerWaalsContact CG-OH 3.24Å; D20-Y50 PolarHBondContact OD2-OH 2.94Å; F46-Y50 HydrophobicContact CB-CD2 4.38Å; F46-Y50 AromaticContact CD1-CD2 3.38Å; F46-Y50 HydrophobicContact CD1-CD2 3.38Å; F46-Y50 AromaticContact CD1-CE2 3.64Å; F46-Y50 HydrophobicContact CD1-CE2 3.64Å; F46-Y50 HydrophobicContact CD1-CG 4.5Å; F46-Y50 AromaticContact CE1-CD2 3.67Å; F46-Y50 HydrophobicContact CE1-CD2 3.67Å; F46-Y50 AromaticContact CE1-CE2 3.43Å; F46-Y50 HydrophobicContact CE1-CE2 3.43Å; F46-Y50 VanDerWaalsContact CE1-CE2 3.43Å; F46-Y50 HydrophobicContact CE2-CE2 4.45Å; F46-Y50 AromaticContact CG-CD2 3.98Å; F46-Y50 HydrophobicContact CG-CD2 3.98Å; F46-Y50 HydrophobicContact CG-CE2 4.23Å; F46-Y50 HydrophobicContact CZ-CD2 4.44Å; F46-Y50 AromaticContact CZ-CE2 3.85Å; F46-Y50 HydrophobicContact CZ-CE2 3.85Å; F46-Y50 WeakPolarHBondContact O-CA 3.32Å; F46-Y50 PolarHBondContact O-N 3.19Å; Y50-W54 HydrophobicContact CD2-CZ2 4.27Å; Y50-W54 HydrophobicContact CG-CZ2 4.24Å; Y50-K87 PolarHBondContact O-NZ 2.96Å
51N98Very high98.3Very high113 Ų11367.6 Ų67.660%0.60433%0.328SS*.  trans66.5145.8-176.3-47.9-72.2000113.1D47 W54 K87D47-N51 CarbonylContact O-C 3.3Å; D47-N51 VanDerWaalsContact O-C 3.3Å; D47-N51 WeakPolarHBondContact O-CA 3.31Å; D47-N51 PolarHBondContact O-N 2.83Å; N51-W54 PolarHBondContact O-NE1 3.38Å; N51-K87 PolarHBondContact O-NZ 2.97Å
52P98.3Very high98.3Very high82 Ų8268.6 Ų68.653%0.53233%0.332SS..SBendtrans-65.5163.1175.728.5-35.5000112.6D47 K87D47-P52 HydrophobicContact CB-CB 4.41Å; D47-P52 WeakPolarHBondContact O-CD 3.46Å; D47-P52 WeakPolarHBondContact OD1-CA 3.36Å; P52-K87 WeakPolarHBondContact O-CE 3.4Å; P52-K87 PolarHBondContact O-NZ 2.97Å
53T97.9Very high98.2Very high57 Ų5772.3 Ų72.335%0.3537%0.37SS..  cis-112.2114.53.5-54.60000112.1K87 S88T53-K87 WeakPolarHBondContact O-CA 3.3Å; T53-K87 WeakPolarHBondContact O-CG 3.22Å; T53-S88 PolarHBondContact O-N 3.16Å
54W98.8Very high98.1Very high0 Ų072.4 Ų72.40%038%0.378CS..EExtended strand (participates in β ladder)trans-88.8152.1172.6-69.183.4000112M13 M17 K43 F46 D47 Y50 N51 H72 L85 F86 K87M13-W54 HydrophobicContact CE-CH2 3.94Å; M13-W54 HydrophobicContact CE-CZ3 4.07Å; M17-W54 HydrophobicContact SD-CH2 3.69Å; M17-W54 HydrophobicContact SD-CZ2 4.12Å; K43-W54 WeakPolarHBondContact CE-O 3.49Å; K43-W54 HydrophobicContact CG-CB 4.3Å; K43-W54 WeakPolarHBondContact CG-O 3.48Å; K43-W54 PolarHBondContact NZ-O 3.17Å; F46-W54 VanDerWaalsContact C-CD1 3.46Å; F46-W54 HydrophobicContact CB-CB 4.19Å; F46-W54 HydrophobicContact CB-CD2 3.79Å; F46-W54 HydrophobicContact CB-CE3 4.34Å; F46-W54 HydrophobicContact CB-CG 3.7Å; F46-W54 AromaticContact CD1-CD2 3.93Å; F46-W54 HydrophobicContact CD1-CD2 3.93Å; F46-W54 AromaticContact CD1-CE2 3.84Å; F46-W54 AromaticContact CD1-CE3 3.91Å; F46-W54 HydrophobicContact CD1-CE3 3.91Å; F46-W54 AromaticContact CD1-CH2 3.72Å; F46-W54 HydrophobicContact CD1-CH2 3.72Å; F46-W54 AromaticContact CD1-CZ2 3.73Å; F46-W54 HydrophobicContact CD1-CZ2 3.73Å; F46-W54 AromaticContact CD1-CZ3 3.82Å; F46-W54 HydrophobicContact CD1-CZ3 3.82Å; F46-W54 HydrophobicContact CE1-CH2 4.14Å; F46-W54 HydrophobicContact CE1-CZ2 4.44Å; F46-W54 HydrophobicContact CE1-CZ3 4.34Å; F46-W54 HydrophobicContact CG-CD2 4.31Å; F46-W54 HydrophobicContact CG-CE3 4.47Å; F46-W54 PolarHBondContact O-NE1 2.88Å; D47-W54 WeakPolarHBondContact OD1-CB 3.45Å; D47-W54 PolarHBondContact OD1-N 3.39Å; Y50-W54 HydrophobicContact CD2-CZ2 4.27Å; Y50-W54 HydrophobicContact CG-CZ2 4.24Å; N51-W54 PolarHBondContact O-NE1 3.38Å; W54-H72 HydrophobicContact CH2-CB 3.82Å; W54-H72 AromaticContact CH2-CD2 3.86Å; W54-H72 HydrophobicContact CZ2-CB 4.31Å; W54-H72 AromaticContact CZ2-CD2 3.66Å; W54-H72 HydrophobicContact CZ3-CB 4.28Å; W54-L85 HydrophobicContact CB-CD1 4.45Å; W54-L85 HydrophobicContact CE3-CD1 3.75Å; W54-L85 HydrophobicContact CE3-CD2 4.4Å; W54-L85 HydrophobicContact CE3-CG 3.75Å; W54-L85 HydrophobicContact CZ3-CD1 4.44Å; W54-L85 HydrophobicContact CZ3-CD2 4.37Å; W54-L85 HydrophobicContact CZ3-CG 3.93Å; W54-F86 CarbonylContact C-O 3.5Å; W54-F86 WeakPolarHBondContact CA-O 3.41Å; W54-K87 HydrophobicContact CD2-CB 4.07Å; W54-K87 HydrophobicContact CD2-CG 4.42Å; W54-K87 HydrophobicContact CE3-CB 4.16Å; W54-K87 HydrophobicContact CH2-CB 4.49Å; W54-K87 HydrophobicContact CZ2-CB 4.41Å; W54-K87 HydrophobicContact CZ3-CB 4.36Å
55H98.8Very high98.1Very high69 Ų6976.7 Ų76.732%0.31939%0.392SS..EExtended strand (participates in β ladder)trans-129.7137.2176.2-58.2-87.9000108.2L85 F86 S88H55-L85 WeakPolarHBondContact O-CA 3.07Å; H55-L85 WeakPolarHBondContact O-CD1 3.22Å; H55-F86 HydrophobicContact CB-CD1 4.11Å; H55-F86 HydrophobicContact CB-CD2 4.33Å; H55-F86 HydrophobicContact CB-CE1 3.64Å; H55-F86 HydrophobicContact CB-CE2 3.87Å; H55-F86 HydrophobicContact CB-CG 4.44Å; H55-F86 HydrophobicContact CB-CZ 3.5Å; H55-F86 VanDerWaalsContact CB-CZ 3.5Å; H55-F86 AromaticContact CD2-CE2 3.87Å; H55-F86 AromaticContact CG-CZ 3.98Å; H55-F86 PolarHBondContact N-O 3.37Å; H55-F86 PolarHBondContact O-N 3.03Å; H55-S88 PolarHBondContact NE2-O 3.47Å
56C98.8Very high98Very high23 Ų2375.2 Ų75.216%0.15539%0.388CS..EExtended strand (participates in β ladder)trans-134.2134.8-178.9-170.90000110.5A39 K43 L84 L85A39-C56 HydrophobicContact CB-CB 4.27Å; A39-C56 WeakPolarHBondContact O-CB 3.49Å; K43-C56 HydrophobicContact CB-CB 4.06Å; C56-L84 CarbonylContact C-O 3.58Å; C56-L84 VanDerWaalsContact CA-O 3.3Å; C56-L84 WeakPolarHBondContact CA-O 2.97Å; C56-L85 HydrophobicContact CB-CD1 3.95Å
57I98.8Very high97.9Very high63 Ų6380.5 Ų80.532%0.32342%0.421SS..EExtended strand (participates in β ladder)trans-122.9132.1172.9-50.3-176.8000107.7F62 I83 L84I57-F62 HydrophobicContact CB-CZ 4.44Å; I57-F62 HydrophobicContact CG2-CD1 4.33Å; I57-F62 HydrophobicContact CG2-CD2 4.21Å; I57-F62 HydrophobicContact CG2-CE1 4.19Å; I57-F62 HydrophobicContact CG2-CE2 4.09Å; I57-F62 HydrophobicContact CG2-CG 4.34Å; I57-F62 HydrophobicContact CG2-CZ 4.07Å; I57-I83 WeakPolarHBondContact O-CA 3.31Å; I57-L84 HydrophobicContact CB-CB 4.27Å; I57-L84 HydrophobicContact CD1-CD2 4.01Å; I57-L84 HydrophobicContact CG1-CD2 4.45Å; I57-L84 PolarHBondContact N-O 3.3Å; I57-L84 PolarHBondContact O-N 2.63Å
58V98.7Very high97.9Very high15 Ų1582 Ų829%0.09143%0.427CS..EExtended strand (participates in β ladder)trans-128.5132.6177179.20000107.9E35 I38 A39 I42 V81 A82 I83E35-V58 HydrophobicContact CB-CB 4.12Å; E35-V58 HydrophobicContact CB-CG1 3.99Å; E35-V58 WeakPolarHBondContact CB-O 3.44Å; E35-V58 HydrophobicContact CG-CG1 3.96Å; I38-V58 HydrophobicContact CB-CG1 4.43Å; I38-V58 HydrophobicContact CB-CG2 4.48Å; I38-V58 HydrophobicContact CG2-CG1 4.15Å; I38-V58 HydrophobicContact CG2-CG2 4Å; A39-V58 HydrophobicContact CB-CB 4.23Å; A39-V58 HydrophobicContact CB-CG2 3.75Å; I42-V58 HydrophobicContact CD1-CG2 4.35Å; V58-V81 HydrophobicContact CG1-CG1 3.43Å; V58-V81 VanDerWaalsContact CG1-CG1 3.43Å; V58-A82 WeakPolarHBondContact CA-O 3.45Å; V58-I83 HydrophobicContact CG2-CG1 4.21Å; V58-I83 HydrophobicContact CG2-CG2 4.38Å
59G97.9Very high97.9Very high9 Ų976.9 Ų76.99%0.09341%0.405CS..EExtended strand (participates in β ladder)trans-179.7159.8179.900000113.8A82G59-A82 PolarHBondContact N-O 2.89Å; G59-A82 WeakPolarHBondContact O-CB 3.46Å; G59-A82 PolarHBondContact O-N 3.43Å
60R96.8Very high97.9Very high161 Ų16176.5 Ų76.561%0.60841%0.413SS*.SBendtrans-84.4-24.9175.8-60.3-174.2-173.4-156.92.7113.2V81R60-V81 HydrophobicContact CG-CG2 4.32Å
61N95.6Very high97.9Very high156 Ų15681.4 Ų81.483%0.83444%0.435SS*.SBendtrans-147.9107.4-178.9-171.92.6000109.9
62F97.9Very high97.9Very high52 Ų5278.2 Ų78.223%0.22842%0.416CS..  trans-157.4156.8171.766.6-92.4000110.4I57 Y75 A82 L84I57-F62 HydrophobicContact CB-CZ 4.44Å; I57-F62 HydrophobicContact CG2-CD1 4.33Å; I57-F62 HydrophobicContact CG2-CD2 4.21Å; I57-F62 HydrophobicContact CG2-CE1 4.19Å; I57-F62 HydrophobicContact CG2-CE2 4.09Å; I57-F62 HydrophobicContact CG2-CG 4.34Å; I57-F62 HydrophobicContact CG2-CZ 4.07Å; F62-Y75 HydrophobicContact CE2-CE2 4.27Å; F62-Y75 AromaticContact CZ-CE2 3.91Å; F62-Y75 HydrophobicContact CZ-CE2 3.91Å; F62-A82 HydrophobicContact CE1-CB 3.68Å; F62-A82 HydrophobicContact CZ-CB 4.02Å; F62-L84 HydrophobicContact CE2-CB 4.21Å; F62-L84 HydrophobicContact CZ-CB 4.13Å
63G97.1Very high97.9Very high78 Ų7875.3 Ų75.380%0.80440%0.395SS*.  trans-118.3150.1162.200000109.2
64S97Very high98Very high60 Ų6072.6 Ų72.642%0.4238%0.379SS..  trans-140.4141.2-178.660.10000110.8L84S64-L84 WeakPolarHBondContact OG-CD2 3.15Å
65Y97.8Very high97.9Very high232 Ų23275 Ų7591%0.9139%0.388SS*.  trans-125.8106.4167.9-164.3-84.8000107.6
66V97.1Very high97.9Very high48 Ų4871.7 Ų71.729%0.29137%0.373SS..  trans-133.3146.8-171.9-59.10000110.9F73 L84 F86V66-F73 HydrophobicContact CG2-CE2 4.13Å; V66-L84 HydrophobicContact CG2-CD2 4.35Å; V66-F86 HydrophobicContact CB-CE1 4.29Å; V66-F86 HydrophobicContact CB-CE2 4.05Å; V66-F86 HydrophobicContact CB-CZ 3.88Å; V66-F86 HydrophobicContact CG1-CE1 4.05Å; V66-F86 HydrophobicContact CG1-CE2 4.43Å; V66-F86 HydrophobicContact CG1-CZ 3.77Å; V66-F86 HydrophobicContact CG2-CD1 4.2Å; V66-F86 HydrophobicContact CG2-CD2 4.36Å; V66-F86 HydrophobicContact CG2-CE1 4.11Å; V66-F86 HydrophobicContact CG2-CE2 4.27Å; V66-F86 HydrophobicContact CG2-CG 4.33Å; V66-F86 HydrophobicContact CG2-CZ 4.15Å
67T97.8Very high97.9Very high115 Ų11573.7 Ų73.771%0.70638%0.378SS*.  trans-96.6142.7166.4-53.60000108.3
68H98.3Very high97.8Very high65 Ų6570.9 Ų70.930%0.30136%0.363SS..  trans-139.9159.4-177.957.5-84.4000110.9F73 F86 K87H68-F73 HydrophobicContact CB-CB 4.4Å; H68-F73 HydrophobicContact CB-CD2 4.21Å; H68-F73 WeakPolarHBondContact CD2-CB 3.47Å; H68-F73 AromaticContact CD2-CG 3.89Å; H68-F73 AromaticContact CE1-CD2 3.7Å; H68-F73 AromaticContact CE1-CG 3.84Å; H68-F73 AromaticContact CG-CD2 3.67Å; H68-F73 AromaticContact ND1-CD2 3.47Å; H68-F73 WeakPolarHBondContact ND1-CD2 3.45Å; H68-F73 AromaticContact NE2-CG 3.77Å; H68-F86 HydrophobicContact CB-CB 3.94Å; H68-F86 HydrophobicContact CB-CD2 3.97Å; H68-F86 HydrophobicContact CB-CG 4.36Å; H68-K87 CarbonylContact C-O 3.57Å; H68-K87 VanDerWaalsContact CA-O 3.31Å; H68-K87 WeakPolarHBondContact CA-O 3.38Å
69E98Very high97.5Very high62 Ų6272.5 Ų72.529%0.2938%0.383SS..  trans-70.3142.7169.7-69168.7-131.600110.8H72 K87 S88 G89E69-H72 PolarHBondContact O-N 2.98Å; E69-K87 PolarHBondContact N-O 3.34Å; E69-K87 WeakPolarHBondContact OE1-CG 3.48Å; E69-K87 VanDerWaalsContact OE2-CD 3.22Å; E69-K87 WeakPolarHBondContact OE2-CD 3.4Å; E69-K87 WeakPolarHBondContact OE2-CE 3.49Å; E69-S88 WeakPolarHBondContact OE1-CA 3.34Å; E69-G89 PolarHBondContact OE1-N 3.38Å; E69-G89 VanDerWaalsContact OE1-N 3.12Å
70T97.6Very high97.3Very high108 Ų10879 Ų7966%0.66341%0.411SS*.THydrogen-bonded Turntrans-55.2141.3178.9-38.90000111.3H72T70-H72 PolarHBondContact O-N 3.46Å; T70-H72 PolarHBondContact O-ND1 3.43Å
71K98.3Very high97.3Very high141 Ų14172.2 Ų72.261%0.61339%0.387SS*.THydrogen-bonded Turntrans64.217.1179-54.5-173.2177.2179.50115.6D12 M13D12-K71 CarbonylContact O-C 3.46Å; D12-K71 WeakPolarHBondContact O-CA 3.27Å; D12-K71 PolarHBondContact OD2-N 2.86Å; M13-K71 WeakPolarHBondContact CA-O 3.43Å; M13-K71 VanDerWaalsContact CB-O 3.27Å; M13-K71 WeakPolarHBondContact CB-O 3.48Å
72H98.6Very high97.4Very high46 Ų4664.9 Ų64.921%0.21335%0.348CS..  trans-134.149.3179.6-59.190.3000112.5D12 W54 E69 T70 F86 K87D12-H72 PolarHBondContact O-N 3.49Å; W54-H72 HydrophobicContact CH2-CB 3.82Å; W54-H72 AromaticContact CH2-CD2 3.86Å; W54-H72 HydrophobicContact CZ2-CB 4.31Å; W54-H72 AromaticContact CZ2-CD2 3.66Å; W54-H72 HydrophobicContact CZ3-CB 4.28Å; E69-H72 PolarHBondContact O-N 2.98Å; T70-H72 PolarHBondContact O-N 3.46Å; T70-H72 PolarHBondContact O-ND1 3.43Å; H72-F86 CarbonylContact O-C 2.86Å; H72-F86 WeakPolarHBondContact O-CA 3.5Å; H72-K87 HydrophobicContact CB-CB 3.43Å; H72-K87 VanDerWaalsContact CB-CB 3.43Å; H72-K87 HydrophobicContact CB-CD 4.21Å; H72-K87 HydrophobicContact CB-CG 4.48Å; H72-K87 PolarHBondContact O-N 3.06Å
73F98.7Very high97.5Very high21 Ų2162.4 Ų62.49%0.09234%0.337CS..EExtended strand (participates in β ladder)trans-140.2135.9178.6174.8-81.3000112.3N10 A11 D12 V66 H68 L84 F86N10-F73 HydrophobicContact CB-CE1 4.19Å; A11-F73 CarbonylContact C-O 3.54Å; A11-F73 WeakPolarHBondContact CA-O 3.48Å; D12-F73 CarbonylContact C-O 3.55Å; D12-F73 HydrophobicContact CB-CB 4.41Å; D12-F73 PolarHBondContact N-O 3.2Å; D12-F73 PolarHBondContact O-N 2.92Å; V66-F73 HydrophobicContact CG2-CE2 4.13Å; H68-F73 HydrophobicContact CB-CB 4.4Å; H68-F73 HydrophobicContact CB-CD2 4.21Å; H68-F73 WeakPolarHBondContact CD2-CB 3.47Å; H68-F73 AromaticContact CD2-CG 3.89Å; H68-F73 AromaticContact CE1-CD2 3.7Å; H68-F73 AromaticContact CE1-CG 3.84Å; H68-F73 AromaticContact CG-CD2 3.67Å; H68-F73 AromaticContact ND1-CD2 3.47Å; H68-F73 WeakPolarHBondContact ND1-CD2 3.45Å; H68-F73 AromaticContact NE2-CG 3.77Å; F73-L84 HydrophobicContact CD2-CD1 4.24Å; F73-L84 HydrophobicContact CE2-CD1 3.42Å; F73-L84 VanDerWaalsContact CE2-CD1 3.42Å; F73-L84 HydrophobicContact CZ-CD1 3.56Å; F73-F86 HydrophobicContact CB-CB 4.38Å; F73-F86 HydrophobicContact CD2-CB 3.7Å; F73-F86 HydrophobicContact CG-CB 4.44Å
74I98.9Very high97.6Very high0 Ų058.7 Ų58.70%030%0.299CS..EExtended strand (participates in β ladder)trans-148139.5170.6-167.6-179.9000111.4A11 M13 Q18 F76 L85A11-I74 HydrophobicContact CB-CB 4.5Å; A11-I74 HydrophobicContact CB-CG1 4.04Å; M13-I74 HydrophobicContact CE-CB 4.1Å; M13-I74 HydrophobicContact CE-CG2 3.96Å; M13-I74 HydrophobicContact CG-CB 4.4Å; M13-I74 HydrophobicContact SD-CB 3.78Å; M13-I74 HydrophobicContact SD-CD1 4.24Å; M13-I74 HydrophobicContact SD-CG1 4.48Å; M13-I74 HydrophobicContact SD-CG2 3.98Å; Q18-I74 HydrophobicContact CB-CD1 3.95Å; Q18-I74 HydrophobicContact CG-CD1 3.93Å; I74-F76 HydrophobicContact CD1-CD1 3.78Å; I74-F76 HydrophobicContact CD1-CE1 4.16Å; I74-F76 HydrophobicContact CG1-CD1 3.85Å; I74-F76 HydrophobicContact CG1-CE1 4.48Å; I74-F76 HydrophobicContact CG2-CD1 4.28Å; I74-F76 HydrophobicContact CG2-CE1 4.19Å; I74-L85 HydrophobicContact CG2-CB 3.85Å; I74-L85 HydrophobicContact CG2-CD2 4.32Å; I74-L85 HydrophobicContact CG2-CG 4.46Å; I74-L85 PolarHBondContact N-O 3.41Å; I74-L85 PolarHBondContact O-N 2.99Å
75Y98.8Very high97.7Very high50 Ų5055.9 Ų55.920%0.19628%0.279CS..EExtended strand (participates in β ladder)trans-130.3120.4171.3177.8-124000110K9 N10 F62 Y77 A82 I83 L84K9-Y75 HydrophobicContact CB-CD1 3.52Å; K9-Y75 HydrophobicContact CB-CE1 3.85Å; K9-Y75 HydrophobicContact CB-CG 4.43Å; K9-Y75 HydrophobicContact CG-CD1 4.16Å; K9-Y75 HydrophobicContact CG-CE1 4.04Å; K9-Y75 PolarHBondContact N-O 3.3Å; N10-Y75 PolarHBondContact N-O 3.23Å; N10-Y75 VanDerWaalsContact N-O 3.11Å; N10-Y75 PolarHBondContact O-N 3.35Å; F62-Y75 HydrophobicContact CE2-CE2 4.27Å; F62-Y75 AromaticContact CZ-CE2 3.91Å; F62-Y75 HydrophobicContact CZ-CE2 3.91Å; Y75-Y77 HydrophobicContact CE1-CE2 4.19Å; Y75-Y77 AromaticContact CZ-CE2 3.76Å; Y75-Y77 VanDerWaalsContact OH-CE2 3.28Å; Y75-Y77 WeakPolarHBondContact OH-CE2 3.37Å; Y75-Y77 PolarHBondContact OH-OH 3.16Å; Y75-Y77 VanDerWaalsContact OH-OH 3.14Å; Y75-A82 HydrophobicContact CE2-CB 3.84Å; Y75-I83 WeakPolarHBondContact CA-O 3.16Å; Y75-I83 WeakPolarHBondContact CD2-O 3.49Å; Y75-L84 HydrophobicContact CD2-CB 3.99Å; Y75-L84 HydrophobicContact CD2-CD1 4.37Å
76F98.6Very high97.7Very high0 Ų045.7 Ų45.70%024%0.24CC..EExtended strand (participates in β ladder)trans-149.5164-175.867-79.6000112.3V7 I8 V22 A25 I74 L78 A82 I83V7-F76 CarbonylContact O-C 3.59Å; V7-F76 VanDerWaalsContact O-CA 3.3Å; V7-F76 WeakPolarHBondContact O-CA 3.28Å; V7-F76 WeakPolarHBondContact O-CB 3.3Å; I8-F76 HydrophobicContact CB-CB 4.43Å; I8-F76 HydrophobicContact CG1-CB 4.18Å; V22-F76 HydrophobicContact CG2-CD2 4.07Å; V22-F76 HydrophobicContact CG2-CE2 3.92Å; V22-F76 HydrophobicContact CG2-CZ 4.32Å; A25-F76 HydrophobicContact CB-CE2 3.99Å; A25-F76 HydrophobicContact CB-CZ 3.66Å; I74-F76 HydrophobicContact CD1-CD1 3.78Å; I74-F76 HydrophobicContact CD1-CE1 4.16Å; I74-F76 HydrophobicContact CG1-CD1 3.85Å; I74-F76 HydrophobicContact CG1-CE1 4.48Å; I74-F76 HydrophobicContact CG2-CD1 4.28Å; I74-F76 HydrophobicContact CG2-CE1 4.19Å; F76-L78 HydrophobicContact CD2-CG 4.16Å; F76-L78 HydrophobicContact CE2-CD1 3.84Å; F76-L78 HydrophobicContact CE2-CG 3.84Å; F76-A82 WeakPolarHBondContact O-CA 3.46Å; F76-I83 HydrophobicContact CD1-CB 4.25Å; F76-I83 HydrophobicContact CD2-CD1 4.31Å; F76-I83 HydrophobicContact CE1-CB 3.84Å; F76-I83 HydrophobicContact CE1-CG2 3.77Å; F76-I83 HydrophobicContact CE2-CB 4.23Å; F76-I83 HydrophobicContact CE2-CD1 3.94Å; F76-I83 HydrophobicContact CE2-CG1 4.42Å; F76-I83 HydrophobicContact CZ-CB 3.84Å; F76-I83 HydrophobicContact CZ-CD1 4.33Å; F76-I83 HydrophobicContact CZ-CG1 4.31Å; F76-I83 HydrophobicContact CZ-CG2 3.89Å; F76-I83 PolarHBondContact N-O 2.75Å; F76-I83 PolarHBondContact O-N 2.81Å
77Y98.1Very high97.8Very high66 Ų6644.2 Ų44.226%0.25923%0.229SC..EExtended strand (participates in β ladder)trans-109.8138.8173.4-80.8-102.3000110.9A6 V7 K9 Y75 V81 A82A6-Y77 CarbonylContact C-O 3.56Å; A6-Y77 WeakPolarHBondContact CA-O 3.45Å; V7-Y77 PolarHBondContact N-O 3.38Å; V7-Y77 PolarHBondContact O-N 3.03Å; K9-Y77 HydrophobicContact CG-CD2 3.81Å; K9-Y77 HydrophobicContact CG-CE2 4.08Å; Y75-Y77 HydrophobicContact CE1-CE2 4.19Å; Y75-Y77 AromaticContact CZ-CE2 3.76Å; Y75-Y77 VanDerWaalsContact OH-CE2 3.28Å; Y75-Y77 WeakPolarHBondContact OH-CE2 3.37Å; Y75-Y77 PolarHBondContact OH-OH 3.16Å; Y75-Y77 VanDerWaalsContact OH-OH 3.14Å; Y77-V81 WeakPolarHBondContact CA-O 3.33Å; Y77-A82 HydrophobicContact CD1-CB 3.98Å; Y77-A82 HydrophobicContact CD2-CB 4.29Å; Y77-A82 HydrophobicContact CE1-CB 3.58Å; Y77-A82 HydrophobicContact CE2-CB 3.92Å; Y77-A82 HydrophobicContact CG-CB 4.31Å
78L96.3Very high97.8Very high3 Ų341 Ų412%0.01621%0.212CC..EExtended strand (participates in β ladder)trans-115.299.6162.6-79.8173.1000108.4R4 A6 V22 A25 L29 F76 Q80 V81 I83R4-L78 HydrophobicContact CB-CD2 4.33Å; R4-L78 WeakPolarHBondContact O-CD2 3.41Å; A6-L78 HydrophobicContact CB-CD2 3.8Å; V22-L78 HydrophobicContact CG1-CD2 4.47Å; A25-L78 HydrophobicContact CB-CD1 3.67Å; L29-L78 HydrophobicContact CD1-CB 3.78Å; L29-L78 HydrophobicContact CD1-CD1 3.63Å; L29-L78 HydrophobicContact CD1-CG 4.37Å; F76-L78 HydrophobicContact CD2-CG 4.16Å; F76-L78 HydrophobicContact CE2-CD1 3.84Å; F76-L78 HydrophobicContact CE2-CG 3.84Å; L78-Q80 PolarHBondContact O-N 2.87Å; L78-V81 PolarHBondContact N-O 3.29Å; L78-V81 PolarHBondContact O-N 3.14Å; L78-I83 HydrophobicContact CB-CD1 4.01Å; L78-I83 HydrophobicContact CD1-CD1 4.17Å; L78-I83 HydrophobicContact CG-CD1 4.21Å
79G93.5Very high97.5Very high49 Ų4943.6 Ų43.651%0.50526%0.256SS..THydrogen-bonded Turntrans63.3-120.1-169.400000111.3
80Q93.5Very high97.4Very high147 Ų14742.7 Ų42.769%0.68725%0.254SS*.THydrogen-bonded Turntrans-950.2-179.6-62.6-177100113.8L78L78-Q80 PolarHBondContact O-N 2.87Å
81V96.4Very high97.4Very high18 Ų1839.2 Ų39.211%0.10923%0.232CC..EExtended strand (participates in β ladder)trans-102.2126.1-178-1780000108.5V58 R60 Y77 L78 I83V58-V81 HydrophobicContact CG1-CG1 3.43Å; V58-V81 VanDerWaalsContact CG1-CG1 3.43Å; R60-V81 HydrophobicContact CG-CG2 4.32Å; Y77-V81 WeakPolarHBondContact CA-O 3.33Å; L78-V81 PolarHBondContact N-O 3.29Å; L78-V81 PolarHBondContact O-N 3.14Å; V81-I83 HydrophobicContact CG1-CD1 4.39Å
82A98.3Very high97.4Very high1 Ų133.6 Ų33.61%0.00821%0.211CC..EExtended strand (participates in β ladder)trans-90.5140.9172.500000110V58 G59 F62 Y75 F76 Y77V58-A82 WeakPolarHBondContact CA-O 3.45Å; G59-A82 PolarHBondContact N-O 2.89Å; G59-A82 WeakPolarHBondContact O-CB 3.46Å; G59-A82 PolarHBondContact O-N 3.43Å; F62-A82 HydrophobicContact CE1-CB 3.68Å; F62-A82 HydrophobicContact CZ-CB 4.02Å; Y75-A82 HydrophobicContact CE2-CB 3.84Å; F76-A82 WeakPolarHBondContact O-CA 3.46Å; Y77-A82 HydrophobicContact CD1-CB 3.98Å; Y77-A82 HydrophobicContact CD2-CB 4.29Å; Y77-A82 HydrophobicContact CE1-CB 3.58Å; Y77-A82 HydrophobicContact CE2-CB 3.92Å; Y77-A82 HydrophobicContact CG-CB 4.31Å
83I98.8Very high97.3Very high0 Ų032.8 Ų32.80%021%0.211CC..EExtended strand (participates in β ladder)trans-124.8122.3176.8-58.892.2000107.2A25 I42 I57 V58 Y75 F76 L78 V81A25-I83 HydrophobicContact CB-CG1 4.38Å; I42-I83 HydrophobicContact CD1-CG2 4.17Å; I57-I83 WeakPolarHBondContact O-CA 3.31Å; V58-I83 HydrophobicContact CG2-CG1 4.21Å; V58-I83 HydrophobicContact CG2-CG2 4.38Å; Y75-I83 WeakPolarHBondContact CA-O 3.16Å; Y75-I83 WeakPolarHBondContact CD2-O 3.49Å; F76-I83 HydrophobicContact CD1-CB 4.25Å; F76-I83 HydrophobicContact CD2-CD1 4.31Å; F76-I83 HydrophobicContact CE1-CB 3.84Å; F76-I83 HydrophobicContact CE1-CG2 3.77Å; F76-I83 HydrophobicContact CE2-CB 4.23Å; F76-I83 HydrophobicContact CE2-CD1 3.94Å; F76-I83 HydrophobicContact CE2-CG1 4.42Å; F76-I83 HydrophobicContact CZ-CB 3.84Å; F76-I83 HydrophobicContact CZ-CD1 4.33Å; F76-I83 HydrophobicContact CZ-CG1 4.31Å; F76-I83 HydrophobicContact CZ-CG2 3.89Å; F76-I83 PolarHBondContact N-O 2.75Å; F76-I83 PolarHBondContact O-N 2.81Å; L78-I83 HydrophobicContact CB-CD1 4.01Å; L78-I83 HydrophobicContact CD1-CD1 4.17Å; L78-I83 HydrophobicContact CG-CD1 4.21Å; V81-I83 HydrophobicContact CG1-CD1 4.39Å
84L98.8Very high97.2Very high1 Ų133.6 Ų33.61%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-111.5125.5168.3172.268.7000107.9C56 I57 F62 S64 V66 F73 Y75 F86C56-L84 CarbonylContact C-O 3.58Å; C56-L84 VanDerWaalsContact CA-O 3.3Å; C56-L84 WeakPolarHBondContact CA-O 2.97Å; I57-L84 HydrophobicContact CB-CB 4.27Å; I57-L84 HydrophobicContact CD1-CD2 4.01Å; I57-L84 HydrophobicContact CG1-CD2 4.45Å; I57-L84 PolarHBondContact N-O 3.3Å; I57-L84 PolarHBondContact O-N 2.63Å; F62-L84 HydrophobicContact CE2-CB 4.21Å; F62-L84 HydrophobicContact CZ-CB 4.13Å; S64-L84 WeakPolarHBondContact OG-CD2 3.15Å; V66-L84 HydrophobicContact CG2-CD2 4.35Å; F73-L84 HydrophobicContact CD2-CD1 4.24Å; F73-L84 HydrophobicContact CE2-CD1 3.42Å; F73-L84 VanDerWaalsContact CE2-CD1 3.42Å; F73-L84 HydrophobicContact CZ-CD1 3.56Å; Y75-L84 HydrophobicContact CD2-CB 3.99Å; Y75-L84 HydrophobicContact CD2-CD1 4.37Å; L84-F86 HydrophobicContact CD1-CD1 4.42Å; L84-F86 HydrophobicContact CD2-CD1 4.16Å; L84-F86 HydrophobicContact CD2-CE1 4.12Å; L84-F86 HydrophobicContact CG-CD1 3.98Å; L84-F86 HydrophobicContact CG-CE1 4.38Å
85L98.9Very high97.1Very high0 Ų035.8 Ų35.80%023%0.233CC..EExtended strand (participates in β ladder)trans-133.9125.4179.4176.166.8000108.6I42 F46 W54 H55 C56 I74I42-L85 HydrophobicContact CG2-CD1 4.02Å; I42-L85 HydrophobicContact CG2-CD2 3.82Å; I42-L85 HydrophobicContact CG2-CG 4.46Å; F46-L85 HydrophobicContact CD1-CD2 3.67Å; F46-L85 HydrophobicContact CD1-CG 4.46Å; F46-L85 HydrophobicContact CD2-CD2 3.81Å; F46-L85 HydrophobicContact CE1-CD2 3.63Å; F46-L85 HydrophobicContact CE2-CD2 3.78Å; F46-L85 HydrophobicContact CG-CD1 4.44Å; F46-L85 HydrophobicContact CG-CD2 3.78Å; F46-L85 HydrophobicContact CZ-CD2 3.72Å; W54-L85 HydrophobicContact CB-CD1 4.45Å; W54-L85 HydrophobicContact CE3-CD1 3.75Å; W54-L85 HydrophobicContact CE3-CD2 4.4Å; W54-L85 HydrophobicContact CE3-CG 3.75Å; W54-L85 HydrophobicContact CZ3-CD1 4.44Å; W54-L85 HydrophobicContact CZ3-CD2 4.37Å; W54-L85 HydrophobicContact CZ3-CG 3.93Å; H55-L85 WeakPolarHBondContact O-CA 3.07Å; H55-L85 WeakPolarHBondContact O-CD1 3.22Å; C56-L85 HydrophobicContact CB-CD1 3.95Å; I74-L85 HydrophobicContact CG2-CB 3.85Å; I74-L85 HydrophobicContact CG2-CD2 4.32Å; I74-L85 HydrophobicContact CG2-CG 4.46Å; I74-L85 PolarHBondContact N-O 3.41Å; I74-L85 PolarHBondContact O-N 2.99Å
86F98.8Very high97Very high18 Ų1834.8 Ų34.88%0.07924%0.236CC..EExtended strand (participates in β ladder)trans-151.5155.2-178.467.4-81000112.2W54 H55 V66 H68 H72 F73 L84W54-F86 CarbonylContact C-O 3.5Å; W54-F86 WeakPolarHBondContact CA-O 3.41Å; H55-F86 HydrophobicContact CB-CD1 4.11Å; H55-F86 HydrophobicContact CB-CD2 4.33Å; H55-F86 HydrophobicContact CB-CE1 3.64Å; H55-F86 HydrophobicContact CB-CE2 3.87Å; H55-F86 HydrophobicContact CB-CG 4.44Å; H55-F86 HydrophobicContact CB-CZ 3.5Å; H55-F86 VanDerWaalsContact CB-CZ 3.5Å; H55-F86 AromaticContact CD2-CE2 3.87Å; H55-F86 AromaticContact CG-CZ 3.98Å; H55-F86 PolarHBondContact N-O 3.37Å; H55-F86 PolarHBondContact O-N 3.03Å; V66-F86 HydrophobicContact CB-CE1 4.29Å; V66-F86 HydrophobicContact CB-CE2 4.05Å; V66-F86 HydrophobicContact CB-CZ 3.88Å; V66-F86 HydrophobicContact CG1-CE1 4.05Å; V66-F86 HydrophobicContact CG1-CE2 4.43Å; V66-F86 HydrophobicContact CG1-CZ 3.77Å; V66-F86 HydrophobicContact CG2-CD1 4.2Å; V66-F86 HydrophobicContact CG2-CD2 4.36Å; V66-F86 HydrophobicContact CG2-CE1 4.11Å; V66-F86 HydrophobicContact CG2-CE2 4.27Å; V66-F86 HydrophobicContact CG2-CG 4.33Å; V66-F86 HydrophobicContact CG2-CZ 4.15Å; H68-F86 HydrophobicContact CB-CB 3.94Å; H68-F86 HydrophobicContact CB-CD2 3.97Å; H68-F86 HydrophobicContact CB-CG 4.36Å; H72-F86 CarbonylContact O-C 2.86Å; H72-F86 WeakPolarHBondContact O-CA 3.5Å; F73-F86 HydrophobicContact CB-CB 4.38Å; F73-F86 HydrophobicContact CD2-CB 3.7Å; F73-F86 HydrophobicContact CG-CB 4.44Å; L84-F86 HydrophobicContact CD1-CD1 4.42Å; L84-F86 HydrophobicContact CD2-CD1 4.16Å; L84-F86 HydrophobicContact CD2-CE1 4.12Å; L84-F86 HydrophobicContact CG-CD1 3.98Å; L84-F86 HydrophobicContact CG-CE1 4.38Å
87K98.7Very high96.9Very high18 Ų1837.5 Ų37.58%0.07825%0.254CS..EExtended strand (participates in β ladder)trans-100.7136.7174.8-164.1-173168.5111.60110.7Y50 N51 P52 T53 W54 H68 E69 H72Y50-K87 PolarHBondContact O-NZ 2.96Å; N51-K87 PolarHBondContact O-NZ 2.97Å; P52-K87 WeakPolarHBondContact O-CE 3.4Å; P52-K87 PolarHBondContact O-NZ 2.97Å; T53-K87 WeakPolarHBondContact O-CA 3.3Å; T53-K87 WeakPolarHBondContact O-CG 3.22Å; W54-K87 HydrophobicContact CD2-CB 4.07Å; W54-K87 HydrophobicContact CD2-CG 4.42Å; W54-K87 HydrophobicContact CE3-CB 4.16Å; W54-K87 HydrophobicContact CH2-CB 4.49Å; W54-K87 HydrophobicContact CZ2-CB 4.41Å; W54-K87 HydrophobicContact CZ3-CB 4.36Å; H68-K87 CarbonylContact C-O 3.57Å; H68-K87 VanDerWaalsContact CA-O 3.31Å; H68-K87 WeakPolarHBondContact CA-O 3.38Å; E69-K87 PolarHBondContact N-O 3.34Å; E69-K87 WeakPolarHBondContact OE1-CG 3.48Å; E69-K87 VanDerWaalsContact OE2-CD 3.22Å; E69-K87 WeakPolarHBondContact OE2-CD 3.4Å; E69-K87 WeakPolarHBondContact OE2-CE 3.49Å; H72-K87 HydrophobicContact CB-CB 3.43Å; H72-K87 VanDerWaalsContact CB-CB 3.43Å; H72-K87 HydrophobicContact CB-CD 4.21Å; H72-K87 HydrophobicContact CB-CG 4.48Å; H72-K87 PolarHBondContact O-N 3.06Å
88S97.5Very high96.8Very high47 Ų4735.1 Ų35.133%0.32925%0.254SS..  trans-160.5118.6174.4179.20000109.3T53 H55 E69T53-S88 PolarHBondContact O-N 3.16Å; H55-S88 PolarHBondContact NE2-O 3.47Å; E69-S88 WeakPolarHBondContact OE1-CA 3.34Å
89G91.7Very high96.8Very high119 Ų11938 Ų38100%1.22728%0.275SS*.  trans178.10172.700000113.4E69E69-G89 PolarHBondContact OE1-N 3.38Å; E69-G89 VanDerWaalsContact OE1-N 3.12Å

Retrieved 89 of 89 residues in 107.9 ms (Link to these results)

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