A0A093I7C5_STRCA Loading...

Dynein light chain

AlphaFold DB (A0A493T905), UniProt , Accession A0A093I7C5, 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
1M46.8Very low82.5Confident219 Ų219111.5 Ų111.5100%1.07958%0.579SS**  0119.20-72.3162.3176.100105.8D3M1-D3 PolarHBondContact O-N 3.11Å
2S53.9Low83.9Confident117 Ų117107.1 Ų107.182%0.81856%0.556SS**  trans-72.2109.2177.7-52.40000107.3R4S2-R4 PolarHBondContact O-N 2.85Å
3D58.8Low85Confident157 Ų157100.2 Ų100.284%0.8452%0.52SS*.  trans-53.6106.3173.4-70.7-52.4000108.4M1 K5M1-D3 PolarHBondContact O-N 3.11Å; D3-K5 VanDerWaalsContact C-N 3.26Å; D3-K5 PolarHBondContact O-N 2.8Å
4R76.6Confident85.9Confident134 Ų13497.5 Ų97.551%0.50651%0.514SS..  trans-7391174.9-67.4-176.6-171.1167.87.4106.2S2 A6 L78S2-R4 PolarHBondContact O-N 2.85Å; R4-A6 PolarHBondContact O-N 3.45Å; R4-L78 HydrophobicContact CB-CD2 4.41Å; R4-L78 WeakPolarHBondContact O-CD2 3.34Å
5K86.4Confident86.7Confident173 Ų173102.3 Ų102.375%0.75253%0.533SS*.  trans-56.8124.7179.2-174.9175.6-179.7177.50109.9D3D3-K5 VanDerWaalsContact C-N 3.26Å; D3-K5 PolarHBondContact O-N 2.8Å
6A95.4Very high87.5Confident31 Ų31105.1 Ų105.126%0.25654%0.543SS..EExtended strand (participates in β ladder)trans-70.5136.4172.300000110.6R4 V22 Y77 L78R4-A6 PolarHBondContact O-N 3.45Å; A6-V22 HydrophobicContact CB-CB 4.38Å; A6-V22 HydrophobicContact CB-CG1 3.6Å; A6-V22 HydrophobicContact CB-CG2 3.79Å; A6-Y77 CarbonylContact C-O 3.56Å; A6-Y77 WeakPolarHBondContact CA-O 3.49Å; A6-L78 HydrophobicContact CB-CD2 3.77Å
7V97.6Very high88.1Confident65 Ų65100.2 Ų100.239%0.39452%0.517SS..EExtended strand (participates in β ladder)trans-123.699.4172.7-178.30000108.1K9 F76 Y77V7-K9 HydrophobicContact CG1-CD 4.28Å; V7-K9 PolarHBondContact O-N 3.06Å; V7-F76 CarbonylContact O-C 3.59Å; V7-F76 VanDerWaalsContact O-CA 3.3Å; V7-F76 WeakPolarHBondContact O-CA 3.41Å; V7-F76 WeakPolarHBondContact O-CB 3.37Å; V7-Y77 PolarHBondContact N-O 3.06Å; V7-Y77 PolarHBondContact O-N 3.37Å
8I98.1Very high88.7Confident74 Ų7496.6 Ų96.638%0.37950%0.497SS..EExtended strand (participates in β ladder)trans-71.4125.8176.3-56.3179000108.4A11 Q18 I74 F76I8-A11 HydrophobicContact CG2-CB 4.02Å; I8-Q18 HydrophobicContact CD1-CB 4.27Å; I8-Q18 VanDerWaalsContact CD1-OE1 3.27Å; I8-I74 HydrophobicContact CD1-CD1 4.49Å; I8-I74 HydrophobicContact CG2-CG1 4.5Å; I8-F76 HydrophobicContact CB-CB 4.42Å; I8-F76 HydrophobicContact CG1-CB 4.16Å
9K97.9Very high89.2Confident128 Ų12896.9 Ų96.956%0.55750%0.496SS*.EExtended strand (participates in β ladder)trans-99.9-38.7179.6-66.1-59.5-174.9-178.30111.6V7 Y75 Y77V7-K9 HydrophobicContact CG1-CD 4.28Å; V7-K9 PolarHBondContact O-N 3.06Å; K9-Y75 HydrophobicContact CB-CD1 3.54Å; K9-Y75 HydrophobicContact CB-CE1 3.87Å; K9-Y75 HydrophobicContact CB-CG 4.46Å; K9-Y75 HydrophobicContact CG-CD1 4.2Å; K9-Y75 HydrophobicContact CG-CE1 4.07Å; K9-Y75 PolarHBondContact N-O 3.14Å; K9-Y77 HydrophobicContact CD-CD2 4.48Å; K9-Y77 HydrophobicContact CG-CD2 3.78Å; K9-Y77 HydrophobicContact CG-CE2 4.04Å
10N98.1Very high89.7Confident96 Ų9693.6 Ų93.651%0.51348%0.48SS..EExtended strand (participates in β ladder)trans-154.9145.8174.3-166.77.9000109.5F73 Y75N10-F73 HydrophobicContact CB-CE1 4.17Å; N10-Y75 PolarHBondContact N-O 3.17Å; N10-Y75 VanDerWaalsContact N-O 3.11Å; N10-Y75 PolarHBondContact O-N 2.87Å
11A98.2Very high90.1Very high33 Ų3389.1 Ų89.127%0.27346%0.457SS..EExtended strand (participates in β ladder)trans-153.7136.6177.500000110.4I8 Q18 F73 I74I8-A11 HydrophobicContact CG2-CB 4.02Å; A11-Q18 HydrophobicContact CB-CG 4.23Å; A11-F73 CarbonylContact C-O 3.56Å; A11-F73 WeakPolarHBondContact CA-O 3.29Å; A11-I74 HydrophobicContact CB-CG1 4.09Å
12D98.4Very high92.5Very high58 Ų5879.6 Ų79.631%0.3141%0.411SS..EExtended strand (participates in β ladder)trans-127.383.7162.7176.228.1000106.8K71 H72 F73D12-K71 CarbonylContact O-C 3.55Å; D12-K71 WeakPolarHBondContact O-CA 3.48Å; D12-K71 PolarHBondContact OD2-N 2.85Å; D12-H72 PolarHBondContact O-N 3.24Å; D12-F73 CarbonylContact C-O 3.55Å; D12-F73 HydrophobicContact CB-CB 4.39Å; D12-F73 PolarHBondContact N-O 2.93Å; D12-F73 PolarHBondContact O-N 3.49Å
13M98.3Very high94.6Very high18 Ų1878.1 Ų78.19%0.08939%0.391CS..SBendtrans-172.6168.6176.351.516449.800110M17 Q18 W54 K71 I74M13-M17 HydrophobicContact CB-CB 4.4Å; M13-M17 HydrophobicContact CB-SD 4.08Å; M13-M17 HydrophobicContact CE-CB 4.46Å; M13-M17 HydrophobicContact CE-CG 3.69Å; M13-M17 HydrophobicContact CE-SD 3.43Å; M13-M17 WeakPolarHBondContact CE-SD 3.48Å; M13-M17 HydrophobicContact SD-CB 3.95Å; M13-M17 HydrophobicContact SD-CG 3.76Å; M13-M17 HydrophobicContact SD-SD 4.15Å; M13-Q18 HydrophobicContact CG-CG 3.6Å; M13-Q18 PolarHBondContact O-NE2 2.82Å; M13-Q18 HydrophobicContact SD-CB 4.42Å; M13-Q18 HydrophobicContact SD-CG 3.74Å; M13-W54 HydrophobicContact CE-CH2 3.88Å; M13-W54 HydrophobicContact CE-CZ3 4.06Å; M13-K71 WeakPolarHBondContact CA-O 3.3Å; M13-K71 VanDerWaalsContact CB-O 3.3Å; M13-K71 WeakPolarHBondContact CB-O 3.48Å; M13-I74 HydrophobicContact CE-CB 4.19Å; M13-I74 HydrophobicContact CE-CG2 4.02Å; M13-I74 HydrophobicContact CG-CB 4.41Å; M13-I74 HydrophobicContact SD-CB 3.8Å; M13-I74 HydrophobicContact SD-CD1 4.26Å; M13-I74 HydrophobicContact SD-CG1 4.5Å; M13-I74 HydrophobicContact SD-CG2 4Å
14S98.4Very high96.5Very high62 Ų6271.2 Ų71.243%0.43436%0.355SS..  trans-65.9152.5177.863.60000112.5E16 M17 Q18S14-E16 PolarHBondContact O-N 3.21Å; S14-M17 PolarHBondContact O-N 2.79Å; S14-M17 VanDerWaalsContact O-N 3.07Å; S14-M17 WeakPolarHBondContact OG-CB 3.33Å; S14-M17 PolarHBondContact OG-N 2.88Å; S14-Q18 WeakPolarHBondContact O-CG 3.33Å; S14-Q18 PolarHBondContact O-N 3.26Å
15E98Very high97.6Very high169 Ų16964.9 Ų64.979%0.7933%0.331SS*.Hα-helixtrans-58-37.7177.2-65.5-175.6168.700112.5M17 Q18 Q19E15-M17 PolarHBondContact O-N 2.91Å; E15-Q18 WeakPolarHBondContact O-CB 3.35Å; E15-Q18 PolarHBondContact O-N 3.17Å; E15-Q19 PolarHBondContact O-N 2.81Å
16E98.4Very high98.1Very high148 Ų14858.8 Ų58.869%0.69231%0.309SS*.Hα-helixtrans-58.6-46.8173.9-175.3-176.7-178.900111.5S14 Q18 Q19 D20S14-E16 PolarHBondContact O-N 3.21Å; E16-Q18 VanDerWaalsContact C-N 3.32Å; E16-Q18 PolarHBondContact O-N 2.94Å; E16-Q19 PolarHBondContact O-N 2.91Å; E16-D20 PolarHBondContact O-N 3.31Å
17M98.6Very high98.1Very high21 Ų2162.7 Ų62.710%0.10332%0.321CS..Hα-helixtrans-69-31.8178.7-166.5179.9-62.500112.1M13 S14 E15 A21 F46 Y50 W54M13-M17 HydrophobicContact CB-CB 4.4Å; M13-M17 HydrophobicContact CB-SD 4.08Å; M13-M17 HydrophobicContact CE-CB 4.46Å; M13-M17 HydrophobicContact CE-CG 3.69Å; M13-M17 HydrophobicContact CE-SD 3.43Å; M13-M17 WeakPolarHBondContact CE-SD 3.48Å; M13-M17 HydrophobicContact SD-CB 3.95Å; M13-M17 HydrophobicContact SD-CG 3.76Å; M13-M17 HydrophobicContact SD-SD 4.15Å; S14-M17 PolarHBondContact O-N 2.79Å; S14-M17 VanDerWaalsContact O-N 3.07Å; S14-M17 WeakPolarHBondContact OG-CB 3.33Å; S14-M17 PolarHBondContact OG-N 2.88Å; E15-M17 PolarHBondContact O-N 2.91Å; M17-A21 WeakPolarHBondContact O-CB 3.45Å; M17-A21 PolarHBondContact O-N 3.07Å; M17-F46 HydrophobicContact CG-CE1 3.95Å; M17-Y50 HydrophobicContact CE-CD1 3.65Å; M17-Y50 HydrophobicContact CE-CE1 3.77Å; M17-Y50 HydrophobicContact CE-CG 4.17Å; M17-Y50 HydrophobicContact CG-CE1 4.24Å; M17-Y50 HydrophobicContact CG-CE2 4.18Å; M17-W54 HydrophobicContact SD-CH2 3.74Å; M17-W54 HydrophobicContact SD-CZ2 4.14Å
18Q98.7Very high98.2Very high36 Ų3659.6 Ų59.617%0.16830%0.303CS..Hα-helixtrans-64.8-44.6172.9-64.7176.139.200111.1I8 A11 M13 S14 E15 E16 A21 V22 I74I8-Q18 HydrophobicContact CD1-CB 4.27Å; I8-Q18 VanDerWaalsContact CD1-OE1 3.27Å; A11-Q18 HydrophobicContact CB-CG 4.23Å; M13-Q18 HydrophobicContact CG-CG 3.6Å; M13-Q18 PolarHBondContact O-NE2 2.82Å; M13-Q18 HydrophobicContact SD-CB 4.42Å; M13-Q18 HydrophobicContact SD-CG 3.74Å; S14-Q18 WeakPolarHBondContact O-CG 3.33Å; S14-Q18 PolarHBondContact O-N 3.26Å; E15-Q18 WeakPolarHBondContact O-CB 3.35Å; E15-Q18 PolarHBondContact O-N 3.17Å; E16-Q18 VanDerWaalsContact C-N 3.32Å; E16-Q18 PolarHBondContact O-N 2.94Å; Q18-A21 WeakPolarHBondContact O-CB 3.38Å; Q18-A21 PolarHBondContact O-N 3.31Å; Q18-V22 WeakPolarHBondContact O-CG2 3.44Å; Q18-V22 PolarHBondContact O-N 2.97Å; Q18-I74 HydrophobicContact CB-CD1 3.95Å; Q18-I74 HydrophobicContact CG-CD1 3.93Å
19Q98.2Very high98.1Very high102 Ų10256.8 Ų56.848%0.47729%0.289SS..Hα-helixtrans-62.2-45.8176.9-175.259.534.300110.9E15 E16 A21 V22 E23E15-Q19 PolarHBondContact O-N 2.81Å; E16-Q19 PolarHBondContact O-N 2.91Å; Q19-A21 VanDerWaalsContact C-N 3.29Å; Q19-A21 PolarHBondContact O-N 3.1Å; Q19-V22 PolarHBondContact O-N 2.98Å; Q19-E23 WeakPolarHBondContact CG-OE1 3.12Å; Q19-E23 PolarHBondContact NE2-OE1 2.85Å; Q19-E23 WeakPolarHBondContact O-CG 3.39Å; Q19-E23 PolarHBondContact O-N 2.95Å
20D98.4Very high98Very high31 Ų3157.3 Ų57.317%0.16629%0.293CS..Hα-helixtrans-57.6-39.5174.2-79.8-49.7000112.4E16 C24 F46 K49 Y50E16-D20 PolarHBondContact O-N 3.31Å; D20-C24 WeakPolarHBondContact O-CB 3.4Å; D20-C24 PolarHBondContact O-N 3Å; D20-F46 HydrophobicContact CB-CZ 4.45Å; D20-K49 IonicContact OD1-NZ 2.73Å; D20-K49 PolarHBondContact OD1-NZ 2.84Å; D20-K49 IonicContact OD2-NZ 3.61Å; D20-K49 PolarHBondContact OD2-NZ 2.95Å; D20-Y50 VanDerWaalsContact CB-OH 3.26Å; D20-Y50 WeakPolarHBondContact CB-OH 3.32Å; D20-Y50 PolarHBondContact OD2-OH 3.45Å
21A98.6Very high97.9Very high0 Ų059.4 Ų59.40%030%0.297CS..Hα-helixtrans-66-43176.800000112M17 Q18 Q19 A25 F46 I74 F76 L85M17-A21 WeakPolarHBondContact O-CB 3.45Å; M17-A21 PolarHBondContact O-N 3.07Å; Q18-A21 WeakPolarHBondContact O-CB 3.38Å; Q18-A21 PolarHBondContact O-N 3.31Å; Q19-A21 VanDerWaalsContact C-N 3.29Å; Q19-A21 PolarHBondContact O-N 3.1Å; A21-A25 VanDerWaalsContact O-CB 3.26Å; A21-A25 WeakPolarHBondContact O-CB 3.47Å; A21-A25 PolarHBondContact O-N 3.24Å; A21-F46 VanDerWaalsContact CA-CZ 3.47Å; A21-F46 HydrophobicContact CB-CE1 4.38Å; A21-F46 HydrophobicContact CB-CE2 4.19Å; A21-F46 HydrophobicContact CB-CZ 3.59Å; A21-I74 HydrophobicContact CB-CD1 4.17Å; A21-I74 HydrophobicContact CB-CG2 4.09Å; A21-F76 HydrophobicContact CB-CE1 4.31Å; A21-L85 HydrophobicContact CB-CD2 4.1Å
22V98.3Very high97.8Very high18 Ų1861 Ų6111%0.10930%0.297CS..Hα-helixtrans-65.4-44.6178.11680000111.1A6 Q18 Q19 A25 T26 F76 L78A6-V22 HydrophobicContact CB-CB 4.38Å; A6-V22 HydrophobicContact CB-CG1 3.6Å; A6-V22 HydrophobicContact CB-CG2 3.79Å; Q18-V22 WeakPolarHBondContact O-CG2 3.44Å; Q18-V22 PolarHBondContact O-N 2.97Å; Q19-V22 PolarHBondContact O-N 2.98Å; V22-A25 PolarHBondContact O-N 2.81Å; V22-T26 WeakPolarHBondContact O-CB 3.42Å; V22-T26 PolarHBondContact O-N 3.23Å; V22-T26 PolarHBondContact O-OG1 3.34Å; V22-F76 HydrophobicContact CG2-CD2 4.12Å; V22-F76 HydrophobicContact CG2-CE2 3.97Å; V22-F76 HydrophobicContact CG2-CZ 4.37Å; V22-L78 HydrophobicContact CG1-CD2 4.46Å
23E98.1Very high97.6Very high86 Ų8665.9 Ų65.940%0.40232%0.323SS..Hα-helixtrans-65.5-46.9178.5-73.2178.4-167.200111.5Q19 A25 T26 Q27Q19-E23 WeakPolarHBondContact CG-OE1 3.12Å; Q19-E23 PolarHBondContact NE2-OE1 2.85Å; Q19-E23 WeakPolarHBondContact O-CG 3.39Å; Q19-E23 PolarHBondContact O-N 2.95Å; E23-A25 VanDerWaalsContact C-N 3.33Å; E23-A25 PolarHBondContact O-N 2.85Å; E23-T26 WeakPolarHBondContact O-CB 3.43Å; E23-T26 PolarHBondContact O-N 2.9Å; E23-Q27 WeakPolarHBondContact O-CG 3.17Å; E23-Q27 PolarHBondContact O-N 2.89Å
24C98.4Very high97.6Very high13 Ų1369.4 Ų69.49%0.08834%0.341CS..Hα-helixtrans-59.2-44.5176.7-175.60000111.4D20 T26 Q27 A28 F46D20-C24 WeakPolarHBondContact O-CB 3.4Å; D20-C24 PolarHBondContact O-N 3Å; C24-T26 PolarHBondContact O-N 2.94Å; C24-Q27 PolarHBondContact O-N 3.27Å; C24-A28 VanDerWaalsContact O-CB 3.31Å; C24-A28 WeakPolarHBondContact O-CB 3.49Å; C24-A28 PolarHBondContact O-N 3.45Å; C24-F46 HydrophobicContact CB-CE2 4.15Å
25A98.3Very high97.5Very high0 Ų070.4 Ų70.40%034%0.339CS..Hα-helixtrans-67-35.3176.900000112.9A21 V22 E23 A28 L29 I42 F76 L78 I83A21-A25 VanDerWaalsContact O-CB 3.26Å; A21-A25 WeakPolarHBondContact O-CB 3.47Å; A21-A25 PolarHBondContact O-N 3.24Å; V22-A25 PolarHBondContact O-N 2.81Å; E23-A25 VanDerWaalsContact C-N 3.33Å; E23-A25 PolarHBondContact O-N 2.85Å; A25-A28 PolarHBondContact O-N 2.89Å; A25-L29 WeakPolarHBondContact O-CB 3.36Å; A25-L29 VanDerWaalsContact O-CG 3.32Å; A25-L29 WeakPolarHBondContact O-CG 3.41Å; A25-L29 PolarHBondContact O-N 3.26Å; A25-I42 HydrophobicContact CB-CD1 3.72Å; A25-I42 HydrophobicContact CB-CG1 4.39Å; A25-F76 HydrophobicContact CB-CE2 3.99Å; A25-F76 HydrophobicContact CB-CZ 3.65Å; A25-L78 HydrophobicContact CB-CD1 3.64Å; A25-I83 HydrophobicContact CB-CG1 4.3Å
26T97.3Very high97.5Very high46 Ų4669.6 Ų69.628%0.28233%0.333SS..Hα-helixtrans-62.8-50.3175.2-59.90000110.5V22 E23 C24 A28 L29 E30V22-T26 WeakPolarHBondContact O-CB 3.42Å; V22-T26 PolarHBondContact O-N 3.23Å; V22-T26 PolarHBondContact O-OG1 3.34Å; E23-T26 WeakPolarHBondContact O-CB 3.43Å; E23-T26 PolarHBondContact O-N 2.9Å; C24-T26 PolarHBondContact O-N 2.94Å; T26-A28 VanDerWaalsContact C-N 3.33Å; T26-A28 PolarHBondContact O-N 3.46Å; T26-L29 PolarHBondContact O-N 2.99Å; T26-E30 WeakPolarHBondContact O-CG 3.42Å; T26-E30 PolarHBondContact O-N 2.72Å; T26-E30 VanDerWaalsContact O-N 3.11Å
27Q96.9Very high97.5Very high112 Ų11265.2 Ų65.252%0.52331%0.314SS..Hα-helixtrans-60.9-41.5176.5-67.1172.522.900111.9E23 C24 L29 E30 K31E23-Q27 WeakPolarHBondContact O-CG 3.17Å; E23-Q27 PolarHBondContact O-N 2.89Å; C24-Q27 PolarHBondContact O-N 3.27Å; Q27-L29 VanDerWaalsContact C-N 3.33Å; Q27-L29 PolarHBondContact O-N 2.87Å; Q27-E30 PolarHBondContact O-N 3.18Å; Q27-K31 WeakPolarHBondContact O-CB 3.47Å; Q27-K31 PolarHBondContact O-N 2.87Å; Q27-K31 VanDerWaalsContact O-N 3.1Å
28A97.9Very high97.6Very high0 Ų064.5 Ų64.50%031%0.311CS..Hα-helixtrans-61.3-42.4177.100000111.8C24 A25 T26 E30 K31 Y32 I38 H41 I42C24-A28 VanDerWaalsContact O-CB 3.31Å; C24-A28 WeakPolarHBondContact O-CB 3.49Å; C24-A28 PolarHBondContact O-N 3.45Å; A25-A28 PolarHBondContact O-N 2.89Å; T26-A28 VanDerWaalsContact C-N 3.33Å; T26-A28 PolarHBondContact O-N 3.46Å; A28-E30 VanDerWaalsContact C-N 3.3Å; A28-E30 PolarHBondContact O-N 2.8Å; A28-K31 PolarHBondContact O-N 3.34Å; A28-Y32 HydrophobicContact CB-CD2 4.47Å; A28-Y32 WeakPolarHBondContact O-CB 3.48Å; A28-Y32 VanDerWaalsContact O-CD2 3.32Å; A28-Y32 WeakPolarHBondContact O-CD2 3.28Å; A28-Y32 PolarHBondContact O-N 2.92Å; A28-I38 HydrophobicContact CB-CB 4.49Å; A28-I38 HydrophobicContact CB-CG2 3.74Å; A28-H41 HydrophobicContact CB-CB 4.4Å; A28-I42 HydrophobicContact CB-CD1 4.35Å; A28-I42 HydrophobicContact CB-CG1 3.97Å
29L96.3Very high97.6Very high16 Ų1663.3 Ų63.38%0.08431%0.307CS..Hα-helixtrans-71-20.5178.9-81.4166.7000114.2A25 T26 Q27 I38 L78 V81A25-L29 WeakPolarHBondContact O-CB 3.36Å; A25-L29 VanDerWaalsContact O-CG 3.32Å; A25-L29 WeakPolarHBondContact O-CG 3.41Å; A25-L29 PolarHBondContact O-N 3.26Å; T26-L29 PolarHBondContact O-N 2.99Å; Q27-L29 VanDerWaalsContact C-N 3.33Å; Q27-L29 PolarHBondContact O-N 2.87Å; L29-I38 HydrophobicContact CD2-CD1 3.61Å; L29-I38 HydrophobicContact CD2-CG2 4.47Å; L29-I38 HydrophobicContact CG-CD1 4.43Å; L29-I38 HydrophobicContact CG-CG2 4.32Å; L29-L78 HydrophobicContact CD1-CB 3.81Å; L29-L78 HydrophobicContact CD1-CD1 3.66Å; L29-L78 HydrophobicContact CD1-CG 4.39Å; L29-V81 HydrophobicContact CD2-CG1 4.5Å; L29-V81 HydrophobicContact CD2-CG2 4.43Å
30E95.4Very high97.6Very high139 Ų13960.3 Ų60.365%0.6530%0.3SS*.Hα-helixtrans-82-33.4172-71.3177.7171.100111.8T26 Q27 A28T26-E30 WeakPolarHBondContact O-CG 3.42Å; T26-E30 PolarHBondContact O-N 2.72Å; T26-E30 VanDerWaalsContact O-N 3.11Å; Q27-E30 PolarHBondContact O-N 3.18Å; A28-E30 VanDerWaalsContact C-N 3.3Å; A28-E30 PolarHBondContact O-N 2.8Å
31K96.7Very high97.6Very high140 Ų14060.4 Ų60.461%0.60930%0.299SS*.Hα-helixtrans-88.9-30.9-175-172.5172.9179.1-175.80114Q27 A28Q27-K31 WeakPolarHBondContact O-CB 3.47Å; Q27-K31 PolarHBondContact O-N 2.87Å; Q27-K31 VanDerWaalsContact O-N 3.1Å; A28-K31 PolarHBondContact O-N 3.34Å
32Y97.3Very high97.6Very high65 Ų6560.4 Ų60.426%0.25530%0.299SS..  trans-125.5143.2-171.5-55.1-73.1000111.5A28 D37 H41A28-Y32 HydrophobicContact CB-CD2 4.47Å; A28-Y32 WeakPolarHBondContact O-CB 3.48Å; A28-Y32 VanDerWaalsContact O-CD2 3.32Å; A28-Y32 WeakPolarHBondContact O-CD2 3.28Å; A28-Y32 PolarHBondContact O-N 2.92Å; Y32-D37 HydrophobicContact CD1-CB 4.04Å; Y32-D37 HydrophobicContact CG-CB 4.18Å; Y32-H41 HydrophobicContact CD2-CB 4.18Å; Y32-H41 HydrophobicContact CE2-CB 3.66Å; Y32-H41 AromaticContact CE2-CG 3.63Å; Y32-H41 AromaticContact CE2-ND1 3.75Å
33N94.1Very high97.6Very high161 Ų16162.5 Ų62.586%0.86131%0.307SS*.SBendtrans-106-8.7-179.9-67.3-49.7000113.8
34I97Very high97.7Very high93 Ų9365.2 Ų65.248%0.47732%0.318SS..SBendtrans-109.5127.4-176.7-59176.9000108.4K36 D37 I38I34-K36 HydrophobicContact CG2-CB 4.08Å; I34-K36 PolarHBondContact O-N 2.83Å; I34-D37 HydrophobicContact CB-CB 4.48Å; I34-D37 PolarHBondContact O-N 2.73Å; I34-I38 WeakPolarHBondContact O-CG1 3.3Å; I34-I38 PolarHBondContact O-N 2.75Å; I34-I38 VanDerWaalsContact O-N 3.14Å
35E97.7Very high97.7Very high83 Ų8368.4 Ų68.439%0.38833%0.331SS..Hα-helixtrans-56-38.3-175.4-66.798.716000113D37 I38 A39 V58E35-D37 VanDerWaalsContact C-N 3.3Å; E35-D37 PolarHBondContact O-N 3.03Å; E35-I38 PolarHBondContact O-N 2.96Å; E35-A39 WeakPolarHBondContact O-CB 3.2Å; E35-A39 PolarHBondContact O-N 3.45Å; E35-V58 HydrophobicContact CB-CB 4.17Å; E35-V58 HydrophobicContact CB-CG1 4.04Å; E35-V58 WeakPolarHBondContact CB-O 3.4Å; E35-V58 HydrophobicContact CG-CG1 4.03Å
36K98Very high97.7Very high152 Ų15268.6 Ų68.666%0.66133%0.332SS*.Hα-helixtrans-56.3-43.3175.7-174.7-163.869.6175.70112.2I34 A40I34-K36 HydrophobicContact CG2-CB 4.08Å; I34-K36 PolarHBondContact O-N 2.83Å; K36-A40 VanDerWaalsContact O-CB 3.29Å; K36-A40 WeakPolarHBondContact O-CB 3.2Å; K36-A40 PolarHBondContact O-N 2.59Å
37D98.4Very high97.8Very high55 Ų5567.9 Ų67.929%0.29433%0.326SS..Hα-helixtrans-76.4-35.3-175.8-61.6-23000110.9Y32 I34 E35 A40 H41Y32-D37 HydrophobicContact CD1-CB 4.04Å; Y32-D37 HydrophobicContact CG-CB 4.18Å; I34-D37 HydrophobicContact CB-CB 4.48Å; I34-D37 PolarHBondContact O-N 2.73Å; E35-D37 VanDerWaalsContact C-N 3.3Å; E35-D37 PolarHBondContact O-N 3.03Å; D37-A40 PolarHBondContact O-N 2.95Å; D37-H41 WeakPolarHBondContact O-CB 3.47Å; D37-H41 PolarHBondContact O-N 3.45Å
38I98.6Very high97.8Very high6 Ų670.5 Ų70.53%0.03134%0.336CS..Hα-helixtrans-60-52.5171.2-61.4161.5000109.7A28 L29 I34 E35 A40 H41 I42 V58A28-I38 HydrophobicContact CB-CB 4.49Å; A28-I38 HydrophobicContact CB-CG2 3.74Å; L29-I38 HydrophobicContact CD2-CD1 3.61Å; L29-I38 HydrophobicContact CD2-CG2 4.47Å; L29-I38 HydrophobicContact CG-CD1 4.43Å; L29-I38 HydrophobicContact CG-CG2 4.32Å; I34-I38 WeakPolarHBondContact O-CG1 3.3Å; I34-I38 PolarHBondContact O-N 2.75Å; I34-I38 VanDerWaalsContact O-N 3.14Å; E35-I38 PolarHBondContact O-N 2.96Å; I38-A40 VanDerWaalsContact C-N 3.34Å; I38-A40 PolarHBondContact O-N 3.41Å; I38-H41 PolarHBondContact O-N 2.92Å; I38-I42 HydrophobicContact CG2-CD1 3.9Å; I38-I42 WeakPolarHBondContact O-CG1 3.39Å; I38-I42 PolarHBondContact O-N 3.11Å; I38-V58 HydrophobicContact CB-CG1 4.44Å; I38-V58 HydrophobicContact CG2-CG1 4.15Å; I38-V58 HydrophobicContact CG2-CG2 4.03Å
39A98.8Very high97.9Very high12 Ų1276.1 Ų76.110%0.09936%0.36CS..Hα-helixtrans-59.7-44.1179.200000111.9E35 H41 I42 K43 C56 V58E35-A39 WeakPolarHBondContact O-CB 3.2Å; E35-A39 PolarHBondContact O-N 3.45Å; A39-H41 VanDerWaalsContact C-N 3.31Å; A39-H41 PolarHBondContact O-N 3.49Å; A39-I42 PolarHBondContact O-N 2.93Å; A39-K43 VanDerWaalsContact O-CB 3.29Å; A39-K43 WeakPolarHBondContact O-CB 3.32Å; A39-K43 PolarHBondContact O-N 3.2Å; A39-C56 HydrophobicContact CB-CB 4.3Å; A39-C56 WeakPolarHBondContact O-CB 3.45Å; A39-V58 HydrophobicContact CB-CB 4.2Å; A39-V58 HydrophobicContact CB-CG2 3.74Å
40A98.8Very high98Very high39 Ų3977.2 Ų77.232%0.32236%0.364SS..Hα-helixtrans-63.5-36.3177.900000112.6K36 D37 I38 K44K36-A40 VanDerWaalsContact O-CB 3.29Å; K36-A40 WeakPolarHBondContact O-CB 3.2Å; K36-A40 PolarHBondContact O-N 2.59Å; D37-A40 PolarHBondContact O-N 2.95Å; I38-A40 VanDerWaalsContact C-N 3.34Å; I38-A40 PolarHBondContact O-N 3.41Å; A40-K44 WeakPolarHBondContact O-CB 3.42Å; A40-K44 WeakPolarHBondContact O-CG 3.43Å; A40-K44 PolarHBondContact O-N 3.27Å; A40-K44 VanDerWaalsContact O-N 3.15Å
41H98.8Very high98.1Very high32 Ų3276 Ų7615%0.14836%0.361CS..Hα-helixtrans-65.7-53.6175.5-178.577.1000111.4A28 Y32 D37 I38 A39 K43 K44 E45A28-H41 HydrophobicContact CB-CB 4.4Å; Y32-H41 HydrophobicContact CD2-CB 4.18Å; Y32-H41 HydrophobicContact CE2-CB 3.66Å; Y32-H41 AromaticContact CE2-CG 3.63Å; Y32-H41 AromaticContact CE2-ND1 3.75Å; D37-H41 WeakPolarHBondContact O-CB 3.47Å; D37-H41 PolarHBondContact O-N 3.45Å; I38-H41 PolarHBondContact O-N 2.92Å; A39-H41 VanDerWaalsContact C-N 3.31Å; A39-H41 PolarHBondContact O-N 3.49Å; H41-K43 VanDerWaalsContact C-N 3.32Å; H41-K43 PolarHBondContact O-N 3.43Å; H41-K44 PolarHBondContact O-N 2.94Å; H41-K44 VanDerWaalsContact O-N 3.14Å; H41-E45 PolarHBondContact O-N 3Å
42I98.8Very high98.2Very high1 Ų173.2 Ų73.21%0.00536%0.358CS..Hα-helixtrans-57.8-47.4-179-61.4164.4000110.4A25 A28 I38 A39 K44 E45 F46 V58 I83 L85A25-I42 HydrophobicContact CB-CD1 3.72Å; A25-I42 HydrophobicContact CB-CG1 4.39Å; A28-I42 HydrophobicContact CB-CD1 4.35Å; A28-I42 HydrophobicContact CB-CG1 3.97Å; I38-I42 HydrophobicContact CG2-CD1 3.9Å; I38-I42 WeakPolarHBondContact O-CG1 3.39Å; I38-I42 PolarHBondContact O-N 3.11Å; A39-I42 PolarHBondContact O-N 2.93Å; I42-K44 PolarHBondContact O-N 3.41Å; I42-E45 PolarHBondContact O-N 3.17Å; I42-F46 HydrophobicContact CG2-CD2 4.18Å; I42-F46 WeakPolarHBondContact O-CB 3.48Å; I42-F46 PolarHBondContact O-N 2.76Å; I42-V58 HydrophobicContact CD1-CG2 4.31Å; I42-I83 HydrophobicContact CD1-CG2 4.18Å; I42-L85 HydrophobicContact CG2-CD1 4.04Å; I42-L85 HydrophobicContact CG2-CD2 3.84Å; I42-L85 HydrophobicContact CG2-CG 4.49Å
43K98.8Very high98.2Very high62 Ų6272.8 Ų72.827%0.2736%0.362SS..Hα-helixtrans-54.2-50.4176.3-174.4-160.8-178.6-40.60111.8A39 H41 F46 D47 W54 C56A39-K43 VanDerWaalsContact O-CB 3.29Å; A39-K43 WeakPolarHBondContact O-CB 3.32Å; A39-K43 PolarHBondContact O-N 3.2Å; H41-K43 VanDerWaalsContact C-N 3.32Å; H41-K43 PolarHBondContact O-N 3.43Å; K43-F46 PolarHBondContact O-N 2.75Å; K43-D47 IonicContact NZ-OD1 2.63Å; K43-D47 IonicContact NZ-OD2 2.75Å; K43-D47 PolarHBondContact NZ-OD2 3.1Å; K43-D47 WeakPolarHBondContact O-CB 3.26Å; K43-D47 VanDerWaalsContact O-CG 3.31Å; K43-D47 PolarHBondContact O-N 2.77Å; K43-W54 WeakPolarHBondContact CE-O 3.45Å; K43-W54 HydrophobicContact CG-CB 4.35Å; K43-W54 VanDerWaalsContact CG-O 3.23Å; K43-W54 WeakPolarHBondContact CG-O 3.36Å; K43-W54 PolarHBondContact NZ-O 3.33Å; K43-C56 HydrophobicContact CB-CB 4.04Å
44K98.8Very high98.4Very high143 Ų14365.1 Ų65.162%0.62232%0.321SS*.Hα-helixtrans-63.9-41.5-176.7-78174.3-179.2-179.30112.4A40 H41 I42 K48A40-K44 WeakPolarHBondContact O-CB 3.42Å; A40-K44 WeakPolarHBondContact O-CG 3.43Å; A40-K44 PolarHBondContact O-N 3.27Å; A40-K44 VanDerWaalsContact O-N 3.15Å; H41-K44 PolarHBondContact O-N 2.94Å; H41-K44 VanDerWaalsContact O-N 3.14Å; I42-K44 PolarHBondContact O-N 3.41Å; K44-K48 WeakPolarHBondContact O-CB 3.26Å; K44-K48 PolarHBondContact O-N 3.05Å
45E98.8Very high98.5Very high79 Ų7963.9 Ų63.937%0.36931%0.313SS..Hα-helixtrans-66.7-40177.5-68.1-54.8131.800111.3H41 I42 K48 K49H41-E45 PolarHBondContact O-N 3Å; I42-E45 PolarHBondContact O-N 3.17Å; E45-K48 PolarHBondContact O-N 3.22Å; E45-K49 WeakPolarHBondContact O-CB 3.31Å; E45-K49 PolarHBondContact O-N 3.3Å
46F98.7Very high98.5Very high5 Ų561 Ų612%0.02230%0.302CS..Hα-helixtrans-69.5-39.7176.2-92.4-107.1000113.3M17 D20 A21 C24 I42 K43 K48 K49 Y50 W54 L85M17-F46 HydrophobicContact CG-CE1 3.95Å; D20-F46 HydrophobicContact CB-CZ 4.45Å; A21-F46 VanDerWaalsContact CA-CZ 3.47Å; A21-F46 HydrophobicContact CB-CE1 4.38Å; A21-F46 HydrophobicContact CB-CE2 4.19Å; A21-F46 HydrophobicContact CB-CZ 3.59Å; C24-F46 HydrophobicContact CB-CE2 4.15Å; I42-F46 HydrophobicContact CG2-CD2 4.18Å; I42-F46 WeakPolarHBondContact O-CB 3.48Å; I42-F46 PolarHBondContact O-N 2.76Å; K43-F46 PolarHBondContact O-N 2.75Å; F46-K48 VanDerWaalsContact C-N 3.26Å; F46-K48 PolarHBondContact O-N 3.39Å; F46-K49 PolarHBondContact O-N 3.18Å; F46-Y50 HydrophobicContact CB-CD2 4.39Å; F46-Y50 AromaticContact CD1-CD2 3.42Å; F46-Y50 HydrophobicContact CD1-CD2 3.42Å; F46-Y50 VanDerWaalsContact CD1-CD2 3.42Å; F46-Y50 AromaticContact CD1-CE2 3.67Å; F46-Y50 HydrophobicContact CD1-CE2 3.67Å; F46-Y50 AromaticContact CE1-CD2 3.7Å; F46-Y50 HydrophobicContact CE1-CD2 3.7Å; F46-Y50 AromaticContact CE1-CE2 3.47Å; F46-Y50 HydrophobicContact CE1-CE2 3.47Å; F46-Y50 VanDerWaalsContact CE1-CE2 3.47Å; F46-Y50 HydrophobicContact CE2-CE2 4.38Å; F46-Y50 AromaticContact CG-CD2 3.98Å; F46-Y50 HydrophobicContact CG-CD2 3.98Å; F46-Y50 HydrophobicContact CG-CE2 4.22Å; F46-Y50 HydrophobicContact CZ-CD2 4.43Å; F46-Y50 AromaticContact CZ-CE2 3.84Å; F46-Y50 HydrophobicContact CZ-CE2 3.84Å; F46-Y50 WeakPolarHBondContact O-CA 3.15Å; F46-Y50 PolarHBondContact O-N 3.43Å; F46-W54 VanDerWaalsContact C-CD1 3.46Å; F46-W54 HydrophobicContact CB-CB 4.21Å; F46-W54 HydrophobicContact CB-CD2 3.8Å; F46-W54 HydrophobicContact CB-CE3 4.35Å; F46-W54 HydrophobicContact CB-CG 3.72Å; F46-W54 AromaticContact CD1-CD2 3.89Å; F46-W54 HydrophobicContact CD1-CD2 3.89Å; F46-W54 AromaticContact CD1-CE2 3.81Å; F46-W54 AromaticContact CD1-CE3 3.86Å; F46-W54 HydrophobicContact CD1-CE3 3.86Å; F46-W54 AromaticContact CD1-CH2 3.7Å; F46-W54 HydrophobicContact CD1-CH2 3.7Å; F46-W54 AromaticContact CD1-CZ2 3.72Å; F46-W54 HydrophobicContact CD1-CZ2 3.72Å; F46-W54 AromaticContact CD1-CZ3 3.78Å; F46-W54 HydrophobicContact CD1-CZ3 3.78Å; F46-W54 HydrophobicContact CE1-CH2 4.08Å; F46-W54 HydrophobicContact CE1-CZ2 4.4Å; F46-W54 HydrophobicContact CE1-CZ3 4.26Å; F46-W54 HydrophobicContact CG-CD2 4.31Å; F46-W54 HydrophobicContact CG-CE3 4.46Å; F46-W54 PolarHBondContact O-NE1 3.01Å; F46-L85 HydrophobicContact CD1-CD2 3.66Å; F46-L85 HydrophobicContact CD1-CG 4.42Å; F46-L85 HydrophobicContact CD2-CD2 3.84Å; F46-L85 HydrophobicContact CE1-CD2 3.61Å; F46-L85 HydrophobicContact CE2-CD2 3.8Å; F46-L85 HydrophobicContact CG-CD1 4.42Å; F46-L85 HydrophobicContact CG-CD2 3.78Å; F46-L85 HydrophobicContact CZ-CD2 3.71Å
47D98.6Very high98.6Very high31 Ų3156.8 Ų56.817%0.16629%0.286CS..Hα-helixtrans-57.3-42170.8-76.9-27.9000111.2K43 N51 P52 W54K43-D47 IonicContact NZ-OD1 2.63Å; K43-D47 IonicContact NZ-OD2 2.75Å; K43-D47 PolarHBondContact NZ-OD2 3.1Å; K43-D47 WeakPolarHBondContact O-CB 3.26Å; K43-D47 VanDerWaalsContact O-CG 3.31Å; K43-D47 PolarHBondContact O-N 2.77Å; D47-N51 CarbonylContact O-C 3.26Å; D47-N51 VanDerWaalsContact O-C 3.26Å; D47-N51 WeakPolarHBondContact O-CA 3.33Å; D47-N51 PolarHBondContact O-N 2.97Å; D47-P52 HydrophobicContact CB-CB 4.42Å; D47-P52 WeakPolarHBondContact OD1-CA 3.38Å; D47-W54 WeakPolarHBondContact OD1-CB 3.47Å; D47-W54 PolarHBondContact OD1-N 2.84Å
48K98.6Very high98.6Very high166 Ų16655 Ų5572%0.72228%0.277SS*.Hα-helixtrans-71.6-41.4-179.4-176.6-176.9174.1-168.70112.5K44 E45 F46K44-K48 WeakPolarHBondContact O-CB 3.26Å; K44-K48 PolarHBondContact O-N 3.05Å; E45-K48 PolarHBondContact O-N 3.22Å; F46-K48 VanDerWaalsContact C-N 3.26Å; F46-K48 PolarHBondContact O-N 3.39Å
49K98.5Very high98.5Very high118 Ų11855.1 Ų55.151%0.51328%0.28SS..Hα-helixtrans-85.1-37-174.4-173171.7174-177.50113.2D20 E45 F46D20-K49 IonicContact OD1-NZ 2.73Å; D20-K49 PolarHBondContact OD1-NZ 2.84Å; D20-K49 IonicContact OD2-NZ 3.61Å; D20-K49 PolarHBondContact OD2-NZ 2.95Å; E45-K49 WeakPolarHBondContact O-CB 3.31Å; E45-K49 PolarHBondContact O-N 3.3Å; F46-K49 PolarHBondContact O-N 3.18Å
50Y98.3Very high98.4Very high39 Ų3962.3 Ų62.315%0.15331%0.305CS..Hα-helixtrans-121.519.1-172.6-52.9-73.9000113.9M17 D20 F46 W54 K87M17-Y50 HydrophobicContact CE-CD1 3.65Å; M17-Y50 HydrophobicContact CE-CE1 3.77Å; M17-Y50 HydrophobicContact CE-CG 4.17Å; M17-Y50 HydrophobicContact CG-CE1 4.24Å; M17-Y50 HydrophobicContact CG-CE2 4.18Å; D20-Y50 VanDerWaalsContact CB-OH 3.26Å; D20-Y50 WeakPolarHBondContact CB-OH 3.32Å; D20-Y50 PolarHBondContact OD2-OH 3.45Å; F46-Y50 HydrophobicContact CB-CD2 4.39Å; F46-Y50 AromaticContact CD1-CD2 3.42Å; F46-Y50 HydrophobicContact CD1-CD2 3.42Å; F46-Y50 VanDerWaalsContact CD1-CD2 3.42Å; F46-Y50 AromaticContact CD1-CE2 3.67Å; F46-Y50 HydrophobicContact CD1-CE2 3.67Å; F46-Y50 AromaticContact CE1-CD2 3.7Å; F46-Y50 HydrophobicContact CE1-CD2 3.7Å; F46-Y50 AromaticContact CE1-CE2 3.47Å; F46-Y50 HydrophobicContact CE1-CE2 3.47Å; F46-Y50 VanDerWaalsContact CE1-CE2 3.47Å; F46-Y50 HydrophobicContact CE2-CE2 4.38Å; F46-Y50 AromaticContact CG-CD2 3.98Å; F46-Y50 HydrophobicContact CG-CD2 3.98Å; F46-Y50 HydrophobicContact CG-CE2 4.22Å; F46-Y50 HydrophobicContact CZ-CD2 4.43Å; F46-Y50 AromaticContact CZ-CE2 3.84Å; F46-Y50 HydrophobicContact CZ-CE2 3.84Å; F46-Y50 WeakPolarHBondContact O-CA 3.15Å; F46-Y50 PolarHBondContact O-N 3.43Å; Y50-W54 HydrophobicContact CD2-CZ2 4.27Å; Y50-W54 HydrophobicContact CG-CZ2 4.25Å; Y50-K87 PolarHBondContact O-NZ 3.03Å
51N98.1Very high98.2Very high113 Ų11368 Ų6860%0.60433%0.33SS*.  trans66147.3-176.7-49-70.7000113.3D47 W54 K87D47-N51 CarbonylContact O-C 3.26Å; D47-N51 VanDerWaalsContact O-C 3.26Å; D47-N51 WeakPolarHBondContact O-CA 3.33Å; D47-N51 PolarHBondContact O-N 2.97Å; N51-W54 PolarHBondContact O-NE1 3.37Å; N51-K87 PolarHBondContact O-NZ 2.96Å
52P98.1Very high98.1Very high82 Ų8268.9 Ų68.953%0.53233%0.333SS..SBendtrans-66.6161.1174.828.8-35.5000112.4D47 K87D47-P52 HydrophobicContact CB-CB 4.42Å; D47-P52 WeakPolarHBondContact OD1-CA 3.38Å; P52-K87 VanDerWaalsContact C-NZ 3.33Å; P52-K87 PolarHBondContact O-NZ 2.96Å
53T97.9Very high98Very high57 Ų5772.6 Ų72.635%0.3537%0.371SS..  cis-113.8113.26.1-54.30000112K87 S88T53-K87 WeakPolarHBondContact O-CA 3.32Å; T53-K87 WeakPolarHBondContact O-CG 3.29Å; T53-S88 PolarHBondContact O-N 2.97Å
54W98.8Very high97.8Very high0 Ų072.5 Ų72.50%038%0.379CS..EExtended strand (participates in β ladder)trans-88.2152.2172.1-69.183.4000111.7M13 M17 K43 F46 D47 Y50 N51 H72 L85 F86 K87M13-W54 HydrophobicContact CE-CH2 3.88Å; M13-W54 HydrophobicContact CE-CZ3 4.06Å; M17-W54 HydrophobicContact SD-CH2 3.74Å; M17-W54 HydrophobicContact SD-CZ2 4.14Å; K43-W54 WeakPolarHBondContact CE-O 3.45Å; K43-W54 HydrophobicContact CG-CB 4.35Å; K43-W54 VanDerWaalsContact CG-O 3.23Å; K43-W54 WeakPolarHBondContact CG-O 3.36Å; K43-W54 PolarHBondContact NZ-O 3.33Å; F46-W54 VanDerWaalsContact C-CD1 3.46Å; F46-W54 HydrophobicContact CB-CB 4.21Å; F46-W54 HydrophobicContact CB-CD2 3.8Å; F46-W54 HydrophobicContact CB-CE3 4.35Å; F46-W54 HydrophobicContact CB-CG 3.72Å; F46-W54 AromaticContact CD1-CD2 3.89Å; F46-W54 HydrophobicContact CD1-CD2 3.89Å; F46-W54 AromaticContact CD1-CE2 3.81Å; F46-W54 AromaticContact CD1-CE3 3.86Å; F46-W54 HydrophobicContact CD1-CE3 3.86Å; F46-W54 AromaticContact CD1-CH2 3.7Å; F46-W54 HydrophobicContact CD1-CH2 3.7Å; F46-W54 AromaticContact CD1-CZ2 3.72Å; F46-W54 HydrophobicContact CD1-CZ2 3.72Å; F46-W54 AromaticContact CD1-CZ3 3.78Å; F46-W54 HydrophobicContact CD1-CZ3 3.78Å; F46-W54 HydrophobicContact CE1-CH2 4.08Å; F46-W54 HydrophobicContact CE1-CZ2 4.4Å; F46-W54 HydrophobicContact CE1-CZ3 4.26Å; F46-W54 HydrophobicContact CG-CD2 4.31Å; F46-W54 HydrophobicContact CG-CE3 4.46Å; F46-W54 PolarHBondContact O-NE1 3.01Å; D47-W54 WeakPolarHBondContact OD1-CB 3.47Å; D47-W54 PolarHBondContact OD1-N 2.84Å; Y50-W54 HydrophobicContact CD2-CZ2 4.27Å; Y50-W54 HydrophobicContact CG-CZ2 4.25Å; N51-W54 PolarHBondContact O-NE1 3.37Å; W54-H72 HydrophobicContact CH2-CB 3.82Å; W54-H72 AromaticContact CH2-CD2 3.89Å; W54-H72 HydrophobicContact CZ2-CB 4.3Å; W54-H72 AromaticContact CZ2-CD2 3.69Å; W54-H72 HydrophobicContact CZ3-CB 4.29Å; W54-L85 HydrophobicContact CB-CD1 4.45Å; W54-L85 HydrophobicContact CE3-CD1 3.75Å; W54-L85 HydrophobicContact CE3-CD2 4.42Å; W54-L85 HydrophobicContact CE3-CG 3.76Å; W54-L85 HydrophobicContact CZ3-CD1 4.45Å; W54-L85 HydrophobicContact CZ3-CD2 4.4Å; W54-L85 HydrophobicContact CZ3-CG 3.95Å; W54-F86 CarbonylContact C-O 3.47Å; W54-F86 WeakPolarHBondContact CA-O 3.14Å; W54-K87 HydrophobicContact CD2-CB 4.06Å; W54-K87 HydrophobicContact CD2-CG 4.39Å; W54-K87 HydrophobicContact CE3-CB 4.14Å; W54-K87 HydrophobicContact CH2-CB 4.46Å; W54-K87 HydrophobicContact CZ2-CB 4.38Å; W54-K87 HydrophobicContact CZ3-CB 4.34Å
55H98.8Very high97.8Very high66 Ų6676.5 Ų76.531%0.30639%0.392SS..EExtended strand (participates in β ladder)trans-128.7136.3175.4-58.5-87.8000108.1L85 F86 S88H55-L85 WeakPolarHBondContact O-CA 3.41Å; H55-L85 WeakPolarHBondContact O-CD1 3.2Å; H55-F86 HydrophobicContact CB-CD1 4.11Å; H55-F86 HydrophobicContact CB-CD2 4.33Å; H55-F86 HydrophobicContact CB-CE1 3.62Å; H55-F86 HydrophobicContact CB-CE2 3.87Å; H55-F86 HydrophobicContact CB-CG 4.44Å; H55-F86 HydrophobicContact CB-CZ 3.48Å; H55-F86 VanDerWaalsContact CB-CZ 3.48Å; H55-F86 AromaticContact CD2-CE2 3.83Å; H55-F86 AromaticContact CG-CE2 3.99Å; H55-F86 AromaticContact CG-CZ 3.94Å; H55-F86 PolarHBondContact N-O 3.15Å; H55-F86 PolarHBondContact O-N 3.14Å; H55-S88 PolarHBondContact NE2-O 3.47Å
56C98.8Very high97.6Very high22 Ų2275 Ų7515%0.14939%0.388CS..EExtended strand (participates in β ladder)trans-133.4134.4-179.6-170.90000110.3A39 K43 L84 L85A39-C56 HydrophobicContact CB-CB 4.3Å; A39-C56 WeakPolarHBondContact O-CB 3.45Å; K43-C56 HydrophobicContact CB-CB 4.04Å; C56-L84 CarbonylContact C-O 2.86Å; C56-L84 WeakPolarHBondContact CA-O 3.23Å; C56-L85 HydrophobicContact CB-CD1 3.94Å
57I98.8Very high97.6Very high64 Ų6480.1 Ų80.133%0.32842%0.42SS..EExtended strand (participates in β ladder)trans-124.7131.6175-62.4154.6000107.3F62 I83 L84 F86I57-F62 HydrophobicContact CG2-CD1 4.28Å; I57-F62 HydrophobicContact CG2-CD2 4.07Å; I57-F62 HydrophobicContact CG2-CE1 4.06Å; I57-F62 HydrophobicContact CG2-CE2 3.88Å; I57-F62 HydrophobicContact CG2-CG 4.27Å; I57-F62 HydrophobicContact CG2-CZ 3.87Å; I57-I83 WeakPolarHBondContact O-CA 3.47Å; I57-L84 HydrophobicContact CB-CB 4.26Å; I57-L84 HydrophobicContact CD1-CD2 3.81Å; I57-L84 HydrophobicContact CD1-CG 4.44Å; I57-L84 PolarHBondContact N-O 2.76Å; I57-L84 PolarHBondContact O-N 2.63Å; I57-F86 HydrophobicContact CD1-CE1 4.32Å
58V98.6Very high97.5Very high17 Ų1781.8 Ų81.810%0.10343%0.426CS..EExtended strand (participates in β ladder)trans-129.2132.5178.31790000108.1E35 I38 A39 I42 V81 A82 I83E35-V58 HydrophobicContact CB-CB 4.17Å; E35-V58 HydrophobicContact CB-CG1 4.04Å; E35-V58 WeakPolarHBondContact CB-O 3.4Å; E35-V58 HydrophobicContact CG-CG1 4.03Å; I38-V58 HydrophobicContact CB-CG1 4.44Å; I38-V58 HydrophobicContact CG2-CG1 4.15Å; I38-V58 HydrophobicContact CG2-CG2 4.03Å; A39-V58 HydrophobicContact CB-CB 4.2Å; A39-V58 HydrophobicContact CB-CG2 3.74Å; I42-V58 HydrophobicContact CD1-CG2 4.31Å; V58-V81 HydrophobicContact CG1-CG1 3.42Å; V58-V81 VanDerWaalsContact CG1-CG1 3.42Å; V58-A82 WeakPolarHBondContact CA-O 3.32Å; V58-I83 HydrophobicContact CG2-CG1 4.26Å; V58-I83 HydrophobicContact CG2-CG2 4.4Å
59G97.7Very high97.5Very high10 Ų1076.9 Ų76.910%0.10341%0.406CS..EExtended strand (participates in β ladder)trans-179.3160.7179.800000113.5A82G59-A82 PolarHBondContact N-O 3.44Å; G59-A82 WeakPolarHBondContact O-CB 3.46Å; G59-A82 PolarHBondContact O-N 3.3Å
60R96.3Very high97.5Very high162 Ų16276.5 Ų76.561%0.61141%0.413SS*.SBendtrans-84.7-25.7176.3-60.7-174.7-173.6-1533.4113.1V81R60-V81 HydrophobicContact CG-CG2 4.47Å
61N94.4Very high97.5Very high159 Ų15981.3 Ų81.385%0.8544%0.435SS*.SBendtrans-147.5106.2-178.4-168.7-2.2000110
62F97.1Very high97.5Very high51 Ų5178.1 Ų78.122%0.22442%0.417CS..  trans-155.9153.7172.166.6-91.6000110.6I57 Y75 A82 L84I57-F62 HydrophobicContact CG2-CD1 4.28Å; I57-F62 HydrophobicContact CG2-CD2 4.07Å; I57-F62 HydrophobicContact CG2-CE1 4.06Å; I57-F62 HydrophobicContact CG2-CE2 3.88Å; I57-F62 HydrophobicContact CG2-CG 4.27Å; I57-F62 HydrophobicContact CG2-CZ 3.87Å; F62-Y75 HydrophobicContact CE2-CE2 4.26Å; F62-Y75 AromaticContact CZ-CE2 3.91Å; F62-Y75 HydrophobicContact CZ-CE2 3.91Å; F62-A82 HydrophobicContact CE1-CB 3.65Å; F62-A82 HydrophobicContact CZ-CB 4.02Å; F62-L84 HydrophobicContact CE2-CB 4.11Å; F62-L84 HydrophobicContact CE2-CD2 4.31Å; F62-L84 HydrophobicContact CZ-CB 4.03Å
63G95.6Very high97.5Very high78 Ų7875.3 Ų75.380%0.80440%0.396SS*.  trans-112.2151.2161.900000109.5
64S95.6Very high97.6Very high60 Ų6072.6 Ų72.642%0.4238%0.379SS..  trans-144.2140.1-178.259.50000111L84S64-L84 WeakPolarHBondContact OG-CD2 3.48Å
65Y97.1Very high97.6Very high228 Ų22874.9 Ų74.989%0.89439%0.388SS*.  trans-128108.1169.3-169.8-86.5000107.5
66V96.3Very high97.5Very high47 Ų4771.8 Ų71.829%0.28537%0.374SS..  trans-134.6146.5-171.6-58.80000110.8F73 L84 F86V66-F73 HydrophobicContact CG2-CE2 4.11Å; V66-L84 HydrophobicContact CG2-CD2 4.48Å; V66-F86 HydrophobicContact CB-CE1 4.25Å; V66-F86 HydrophobicContact CB-CE2 4.03Å; V66-F86 HydrophobicContact CB-CZ 3.87Å; V66-F86 HydrophobicContact CG1-CE1 4.01Å; V66-F86 HydrophobicContact CG1-CE2 4.42Å; V66-F86 HydrophobicContact CG1-CZ 3.76Å; V66-F86 HydrophobicContact CG2-CD1 4.15Å; V66-F86 HydrophobicContact CG2-CD2 4.32Å; V66-F86 HydrophobicContact CG2-CE1 4.09Å; V66-F86 HydrophobicContact CG2-CE2 4.26Å; V66-F86 HydrophobicContact CG2-CG 4.27Å; V66-F86 HydrophobicContact CG2-CZ 4.15Å
67T97.1Very high97.5Very high113 Ų11373.9 Ų73.969%0.69338%0.379SS*.  trans-94143165.7-52.80000108.4
68H98.1Very high97.4Very high66 Ų6671 Ų7131%0.30636%0.364SS..  trans-140.3158.7-17957.6-84.5000110.9F73 F86 K87H68-F73 HydrophobicContact CB-CB 4.39Å; H68-F73 HydrophobicContact CB-CD2 4.23Å; H68-F73 WeakPolarHBondContact CD2-CB 3.49Å; H68-F73 AromaticContact CD2-CG 3.94Å; H68-F73 AromaticContact CE1-CD2 3.76Å; H68-F73 AromaticContact CE1-CG 3.89Å; H68-F73 AromaticContact CG-CD2 3.7Å; H68-F73 AromaticContact ND1-CD2 3.5Å; H68-F73 AromaticContact NE2-CG 3.83Å; H68-F86 HydrophobicContact CB-CB 3.94Å; H68-F86 HydrophobicContact CB-CD2 3.98Å; H68-F86 HydrophobicContact CB-CG 4.37Å; H68-K87 CarbonylContact C-O 3.57Å; H68-K87 VanDerWaalsContact CA-O 3.28Å; H68-K87 WeakPolarHBondContact CA-O 3.03Å
69E97.9Very high97.1Very high63 Ų6372.5 Ų72.529%0.29438%0.384SS..  trans-69.5141.2169-68.8170.4-130.700110.7H72 K87 G89E69-H72 PolarHBondContact O-N 3.38Å; E69-K87 HydrophobicContact CB-CB 4.49Å; E69-K87 PolarHBondContact N-O 3.4Å; E69-K87 WeakPolarHBondContact OE1-CE 3.47Å; E69-K87 WeakPolarHBondContact OE1-CG 3.22Å; E69-K87 WeakPolarHBondContact OE2-CD 3.41Å; E69-K87 WeakPolarHBondContact OE2-CE 3.48Å; E69-G89 PolarHBondContact OE1-N 3.37Å
70T97.6Very high96.9Very high109 Ų10978.9 Ų78.967%0.66941%0.411SS*.THydrogen-bonded Turntrans-53.6139.9177.8-45.70000111.3H72T70-H72 PolarHBondContact O-N 3.4Å; T70-H72 PolarHBondContact O-ND1 2.87Å
71K98.3Very high96.9Very high141 Ų14172 Ų7261%0.61339%0.386SS*.THydrogen-bonded Turntrans6417.5-179.6-64.5174.7-179.3-175.70115.8D12 M13D12-K71 CarbonylContact O-C 3.55Å; D12-K71 WeakPolarHBondContact O-CA 3.48Å; D12-K71 PolarHBondContact OD2-N 2.85Å; M13-K71 WeakPolarHBondContact CA-O 3.3Å; M13-K71 VanDerWaalsContact CB-O 3.3Å; M13-K71 WeakPolarHBondContact CB-O 3.48Å
72H98.6Very high97.1Very high46 Ų4664.4 Ų64.421%0.21335%0.346CS..  trans-134.250.2179.5-58.390.8000112.8D12 W54 E69 T70 F86 K87D12-H72 PolarHBondContact O-N 3.24Å; W54-H72 HydrophobicContact CH2-CB 3.82Å; W54-H72 AromaticContact CH2-CD2 3.89Å; W54-H72 HydrophobicContact CZ2-CB 4.3Å; W54-H72 AromaticContact CZ2-CD2 3.69Å; W54-H72 HydrophobicContact CZ3-CB 4.29Å; E69-H72 PolarHBondContact O-N 3.38Å; T70-H72 PolarHBondContact O-N 3.4Å; T70-H72 PolarHBondContact O-ND1 2.87Å; H72-F86 CarbonylContact O-C 3.59Å; H72-F86 WeakPolarHBondContact O-CA 3.41Å; H72-K87 HydrophobicContact CB-CB 3.43Å; H72-K87 VanDerWaalsContact CB-CB 3.43Å; H72-K87 HydrophobicContact CB-CD 4.14Å; H72-K87 HydrophobicContact CB-CG 4.45Å; H72-K87 PolarHBondContact O-N 3.3Å
73F98.7Very high97.2Very high22 Ų2262 Ų6210%0.09634%0.335CS..EExtended strand (participates in β ladder)trans-140.3136178.6175.2-81.5000112.3N10 A11 D12 V66 H68 L84 F86N10-F73 HydrophobicContact CB-CE1 4.17Å; A11-F73 CarbonylContact C-O 3.56Å; A11-F73 WeakPolarHBondContact CA-O 3.29Å; D12-F73 CarbonylContact C-O 3.55Å; D12-F73 HydrophobicContact CB-CB 4.39Å; D12-F73 PolarHBondContact N-O 2.93Å; D12-F73 PolarHBondContact O-N 3.49Å; V66-F73 HydrophobicContact CG2-CE2 4.11Å; H68-F73 HydrophobicContact CB-CB 4.39Å; H68-F73 HydrophobicContact CB-CD2 4.23Å; H68-F73 WeakPolarHBondContact CD2-CB 3.49Å; H68-F73 AromaticContact CD2-CG 3.94Å; H68-F73 AromaticContact CE1-CD2 3.76Å; H68-F73 AromaticContact CE1-CG 3.89Å; H68-F73 AromaticContact CG-CD2 3.7Å; H68-F73 AromaticContact ND1-CD2 3.5Å; H68-F73 AromaticContact NE2-CG 3.83Å; F73-L84 HydrophobicContact CD2-CD1 4.21Å; F73-L84 HydrophobicContact CE2-CD1 3.42Å; F73-L84 VanDerWaalsContact CE2-CD1 3.42Å; F73-L84 HydrophobicContact CZ-CD1 3.66Å; F73-F86 HydrophobicContact CB-CB 4.39Å; F73-F86 HydrophobicContact CD2-CB 3.69Å; F73-F86 HydrophobicContact CE2-CB 4.48Å; F73-F86 HydrophobicContact CG-CB 4.44Å
74I98.8Very high97.3Very high0 Ų058.3 Ų58.30%030%0.297CS..EExtended strand (participates in β ladder)trans-147.6139.2170.1-168-179.3000111.5I8 A11 M13 Q18 A21 F76 L85I8-I74 HydrophobicContact CD1-CD1 4.49Å; I8-I74 HydrophobicContact CG2-CG1 4.5Å; A11-I74 HydrophobicContact CB-CG1 4.09Å; M13-I74 HydrophobicContact CE-CB 4.19Å; M13-I74 HydrophobicContact CE-CG2 4.02Å; M13-I74 HydrophobicContact CG-CB 4.41Å; M13-I74 HydrophobicContact SD-CB 3.8Å; M13-I74 HydrophobicContact SD-CD1 4.26Å; M13-I74 HydrophobicContact SD-CG1 4.5Å; M13-I74 HydrophobicContact SD-CG2 4Å; Q18-I74 HydrophobicContact CB-CD1 3.95Å; Q18-I74 HydrophobicContact CG-CD1 3.93Å; A21-I74 HydrophobicContact CB-CD1 4.17Å; A21-I74 HydrophobicContact CB-CG2 4.09Å; I74-F76 HydrophobicContact CD1-CD1 3.78Å; I74-F76 HydrophobicContact CD1-CE1 4.16Å; I74-F76 HydrophobicContact CD1-CG 4.49Å; I74-F76 HydrophobicContact CG1-CD1 3.86Å; I74-F76 HydrophobicContact CG1-CE1 4.49Å; I74-F76 HydrophobicContact CG2-CD1 4.3Å; I74-F76 HydrophobicContact CG2-CE1 4.22Å; I74-L85 HydrophobicContact CG2-CB 3.84Å; I74-L85 HydrophobicContact CG2-CD2 4.25Å; I74-L85 HydrophobicContact CG2-CG 4.41Å; I74-L85 PolarHBondContact N-O 2.88Å; I74-L85 PolarHBondContact O-N 3.34Å
75Y98.8Very high97.5Very high49 Ų4955.4 Ų55.419%0.19228%0.277CS..EExtended strand (participates in β ladder)trans-130.3120.5171.1177.3-123.2000110.2K9 N10 F62 Y77 A82 I83 L84K9-Y75 HydrophobicContact CB-CD1 3.54Å; K9-Y75 HydrophobicContact CB-CE1 3.87Å; K9-Y75 HydrophobicContact CB-CG 4.46Å; K9-Y75 HydrophobicContact CG-CD1 4.2Å; K9-Y75 HydrophobicContact CG-CE1 4.07Å; K9-Y75 PolarHBondContact N-O 3.14Å; N10-Y75 PolarHBondContact N-O 3.17Å; N10-Y75 VanDerWaalsContact N-O 3.11Å; N10-Y75 PolarHBondContact O-N 2.87Å; F62-Y75 HydrophobicContact CE2-CE2 4.26Å; F62-Y75 AromaticContact CZ-CE2 3.91Å; F62-Y75 HydrophobicContact CZ-CE2 3.91Å; Y75-Y77 HydrophobicContact CE1-CE2 4.15Å; Y75-Y77 AromaticContact CZ-CE2 3.75Å; Y75-Y77 VanDerWaalsContact OH-CE2 3.29Å; Y75-Y77 WeakPolarHBondContact OH-CE2 3.44Å; Y75-Y77 PolarHBondContact OH-OH 3.19Å; Y75-Y77 VanDerWaalsContact OH-OH 3.1Å; Y75-A82 HydrophobicContact CE2-CB 3.86Å; Y75-I83 WeakPolarHBondContact CA-O 3.37Å; Y75-I83 WeakPolarHBondContact CD2-O 3.45Å; Y75-L84 HydrophobicContact CD2-CB 3.96Å
76F98.6Very high97.6Very high1 Ų145.3 Ų45.30%0.00424%0.238CC..EExtended strand (participates in β ladder)trans-149.4163.8-175.467.2-79.9000112.4V7 I8 A21 V22 A25 I74 L78 A82 I83V7-F76 CarbonylContact O-C 3.59Å; V7-F76 VanDerWaalsContact O-CA 3.3Å; V7-F76 WeakPolarHBondContact O-CA 3.41Å; V7-F76 WeakPolarHBondContact O-CB 3.37Å; I8-F76 HydrophobicContact CB-CB 4.42Å; I8-F76 HydrophobicContact CG1-CB 4.16Å; A21-F76 HydrophobicContact CB-CE1 4.31Å; V22-F76 HydrophobicContact CG2-CD2 4.12Å; V22-F76 HydrophobicContact CG2-CE2 3.97Å; V22-F76 HydrophobicContact CG2-CZ 4.37Å; A25-F76 HydrophobicContact CB-CE2 3.99Å; A25-F76 HydrophobicContact CB-CZ 3.65Å; I74-F76 HydrophobicContact CD1-CD1 3.78Å; I74-F76 HydrophobicContact CD1-CE1 4.16Å; I74-F76 HydrophobicContact CD1-CG 4.49Å; I74-F76 HydrophobicContact CG1-CD1 3.86Å; I74-F76 HydrophobicContact CG1-CE1 4.49Å; I74-F76 HydrophobicContact CG2-CD1 4.3Å; I74-F76 HydrophobicContact CG2-CE1 4.22Å; F76-L78 HydrophobicContact CD2-CG 4.12Å; F76-L78 HydrophobicContact CE2-CD1 3.78Å; F76-L78 HydrophobicContact CE2-CG 3.8Å; F76-A82 WeakPolarHBondContact O-CA 3.44Å; F76-I83 HydrophobicContact CD1-CB 4.19Å; F76-I83 HydrophobicContact CD1-CG2 4.49Å; F76-I83 HydrophobicContact CD2-CD1 4.32Å; F76-I83 HydrophobicContact CE1-CB 3.77Å; F76-I83 HydrophobicContact CE1-CG2 3.71Å; F76-I83 HydrophobicContact CE2-CB 4.18Å; F76-I83 HydrophobicContact CE2-CD1 3.96Å; F76-I83 HydrophobicContact CE2-CG1 4.29Å; F76-I83 HydrophobicContact CZ-CB 3.78Å; F76-I83 HydrophobicContact CZ-CD1 4.35Å; F76-I83 HydrophobicContact CZ-CG1 4.18Å; F76-I83 HydrophobicContact CZ-CG2 3.85Å; F76-I83 PolarHBondContact N-O 2.79Å; F76-I83 PolarHBondContact O-N 2.82Å
77Y98Very high97.7Very high66 Ų6643.9 Ų43.926%0.25923%0.228SC..EExtended strand (participates in β ladder)trans-109.8138.4173.1-79.8-102.3000110.8A6 V7 K9 Y75 V81 A82A6-Y77 CarbonylContact C-O 3.56Å; A6-Y77 WeakPolarHBondContact CA-O 3.49Å; V7-Y77 PolarHBondContact N-O 3.06Å; V7-Y77 PolarHBondContact O-N 3.37Å; K9-Y77 HydrophobicContact CD-CD2 4.48Å; K9-Y77 HydrophobicContact CG-CD2 3.78Å; K9-Y77 HydrophobicContact CG-CE2 4.04Å; Y75-Y77 HydrophobicContact CE1-CE2 4.15Å; Y75-Y77 AromaticContact CZ-CE2 3.75Å; Y75-Y77 VanDerWaalsContact OH-CE2 3.29Å; Y75-Y77 WeakPolarHBondContact OH-CE2 3.44Å; Y75-Y77 PolarHBondContact OH-OH 3.19Å; Y75-Y77 VanDerWaalsContact OH-OH 3.1Å; Y77-V81 CarbonylContact C-O 3.51Å; Y77-V81 WeakPolarHBondContact CA-O 3.29Å; Y77-A82 HydrophobicContact CD1-CB 3.96Å; Y77-A82 HydrophobicContact CD2-CB 4.34Å; Y77-A82 HydrophobicContact CE1-CB 3.58Å; Y77-A82 HydrophobicContact CE2-CB 3.99Å; Y77-A82 HydrophobicContact CG-CB 4.33Å
78L96.2Very high97.7Very high2 Ų240.7 Ų40.71%0.0121%0.21CC..EExtended strand (participates in β ladder)trans-114.499.6162-78171.8000108.3R4 A6 V22 A25 L29 F76 Q80 V81 I83R4-L78 HydrophobicContact CB-CD2 4.41Å; R4-L78 WeakPolarHBondContact O-CD2 3.34Å; A6-L78 HydrophobicContact CB-CD2 3.77Å; V22-L78 HydrophobicContact CG1-CD2 4.46Å; A25-L78 HydrophobicContact CB-CD1 3.64Å; L29-L78 HydrophobicContact CD1-CB 3.81Å; L29-L78 HydrophobicContact CD1-CD1 3.66Å; L29-L78 HydrophobicContact CD1-CG 4.39Å; F76-L78 HydrophobicContact CD2-CG 4.12Å; F76-L78 HydrophobicContact CE2-CD1 3.78Å; F76-L78 HydrophobicContact CE2-CG 3.8Å; L78-Q80 PolarHBondContact O-N 3.42Å; L78-V81 PolarHBondContact N-O 2.9Å; L78-V81 PolarHBondContact O-N 3.04Å; L78-I83 HydrophobicContact CB-CD1 4.06Å; L78-I83 HydrophobicContact CD1-CD1 4.2Å; L78-I83 HydrophobicContact CG-CD1 4.24Å
79G93.3Very high97.3Very high50 Ų5043 Ų4352%0.51525%0.252SS..THydrogen-bonded Turntrans63.1-119.1-169.100000111.3
80Q93.2Very high97.3Very high144 Ų14442.1 Ų42.167%0.67325%0.25SS*.THydrogen-bonded Turntrans-95.90.1-179.8-63.4-177.1-1.400113.6L78L78-Q80 PolarHBondContact O-N 3.42Å
81V96.4Very high97.3Very high16 Ų1638.5 Ų38.510%0.09723%0.228CC..EExtended strand (participates in β ladder)trans-100.2125.4-178.8-176.70000108.2L29 V58 R60 Y77 L78 I83L29-V81 HydrophobicContact CD2-CG1 4.5Å; L29-V81 HydrophobicContact CD2-CG2 4.43Å; V58-V81 HydrophobicContact CG1-CG1 3.42Å; V58-V81 VanDerWaalsContact CG1-CG1 3.42Å; R60-V81 HydrophobicContact CG-CG2 4.47Å; Y77-V81 CarbonylContact C-O 3.51Å; Y77-V81 WeakPolarHBondContact CA-O 3.29Å; L78-V81 PolarHBondContact N-O 2.9Å; L78-V81 PolarHBondContact O-N 3.04Å; V81-I83 HydrophobicContact CG1-CD1 4.27Å; V81-I83 WeakPolarHBondContact O-CD1 2.95Å
82A98.2Very high97.3Very high0 Ų032.8 Ų32.80%021%0.207CC..EExtended strand (participates in β ladder)trans-90.9138.9172.100000109.9V58 G59 F62 Y75 F76 Y77V58-A82 WeakPolarHBondContact CA-O 3.32Å; G59-A82 PolarHBondContact N-O 3.44Å; G59-A82 WeakPolarHBondContact O-CB 3.46Å; G59-A82 PolarHBondContact O-N 3.3Å; F62-A82 HydrophobicContact CE1-CB 3.65Å; F62-A82 HydrophobicContact CZ-CB 4.02Å; Y75-A82 HydrophobicContact CE2-CB 3.86Å; F76-A82 WeakPolarHBondContact O-CA 3.44Å; Y77-A82 HydrophobicContact CD1-CB 3.96Å; Y77-A82 HydrophobicContact CD2-CB 4.34Å; Y77-A82 HydrophobicContact CE1-CB 3.58Å; Y77-A82 HydrophobicContact CE2-CB 3.99Å; Y77-A82 HydrophobicContact CG-CB 4.33Å
83I98.7Very high97.2Very high0 Ų032.1 Ų32.10%021%0.206CC..EExtended strand (participates in β ladder)trans-122.9122.9176.9-59.284.4000107.1A25 I42 I57 V58 Y75 F76 L78 V81A25-I83 HydrophobicContact CB-CG1 4.3Å; I42-I83 HydrophobicContact CD1-CG2 4.18Å; I57-I83 WeakPolarHBondContact O-CA 3.47Å; V58-I83 HydrophobicContact CG2-CG1 4.26Å; V58-I83 HydrophobicContact CG2-CG2 4.4Å; Y75-I83 WeakPolarHBondContact CA-O 3.37Å; Y75-I83 WeakPolarHBondContact CD2-O 3.45Å; F76-I83 HydrophobicContact CD1-CB 4.19Å; F76-I83 HydrophobicContact CD1-CG2 4.49Å; F76-I83 HydrophobicContact CD2-CD1 4.32Å; F76-I83 HydrophobicContact CE1-CB 3.77Å; F76-I83 HydrophobicContact CE1-CG2 3.71Å; F76-I83 HydrophobicContact CE2-CB 4.18Å; F76-I83 HydrophobicContact CE2-CD1 3.96Å; F76-I83 HydrophobicContact CE2-CG1 4.29Å; F76-I83 HydrophobicContact CZ-CB 3.78Å; F76-I83 HydrophobicContact CZ-CD1 4.35Å; F76-I83 HydrophobicContact CZ-CG1 4.18Å; F76-I83 HydrophobicContact CZ-CG2 3.85Å; F76-I83 PolarHBondContact N-O 2.79Å; F76-I83 PolarHBondContact O-N 2.82Å; L78-I83 HydrophobicContact CB-CD1 4.06Å; L78-I83 HydrophobicContact CD1-CD1 4.2Å; L78-I83 HydrophobicContact CG-CD1 4.24Å; V81-I83 HydrophobicContact CG1-CD1 4.27Å; V81-I83 WeakPolarHBondContact O-CD1 2.95Å
84L98.8Very high97.1Very high1 Ų132.7 Ų32.71%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-113.2123.3169167.961.2000107.8C56 I57 F62 S64 V66 F73 Y75 F86C56-L84 CarbonylContact C-O 2.86Å; C56-L84 WeakPolarHBondContact CA-O 3.23Å; I57-L84 HydrophobicContact CB-CB 4.26Å; I57-L84 HydrophobicContact CD1-CD2 3.81Å; I57-L84 HydrophobicContact CD1-CG 4.44Å; I57-L84 PolarHBondContact N-O 2.76Å; I57-L84 PolarHBondContact O-N 2.63Å; F62-L84 HydrophobicContact CE2-CB 4.11Å; F62-L84 HydrophobicContact CE2-CD2 4.31Å; F62-L84 HydrophobicContact CZ-CB 4.03Å; S64-L84 WeakPolarHBondContact OG-CD2 3.48Å; V66-L84 HydrophobicContact CG2-CD2 4.48Å; F73-L84 HydrophobicContact CD2-CD1 4.21Å; F73-L84 HydrophobicContact CE2-CD1 3.42Å; F73-L84 VanDerWaalsContact CE2-CD1 3.42Å; F73-L84 HydrophobicContact CZ-CD1 3.66Å; Y75-L84 HydrophobicContact CD2-CB 3.96Å; L84-F86 HydrophobicContact CD1-CD1 4.17Å; L84-F86 HydrophobicContact CD2-CD1 4.43Å; L84-F86 HydrophobicContact CD2-CE1 4.4Å; L84-F86 HydrophobicContact CG-CD1 4Å; L84-F86 HydrophobicContact CG-CE1 4.37Å
85L98.9Very high97Very high0 Ų034.9 Ų34.90%023%0.228CC..EExtended strand (participates in β ladder)trans-133.1124.9-179.3175.967.1000108.7A21 I42 F46 W54 H55 C56 I74A21-L85 HydrophobicContact CB-CD2 4.1Å; I42-L85 HydrophobicContact CG2-CD1 4.04Å; I42-L85 HydrophobicContact CG2-CD2 3.84Å; I42-L85 HydrophobicContact CG2-CG 4.49Å; F46-L85 HydrophobicContact CD1-CD2 3.66Å; F46-L85 HydrophobicContact CD1-CG 4.42Å; F46-L85 HydrophobicContact CD2-CD2 3.84Å; F46-L85 HydrophobicContact CE1-CD2 3.61Å; F46-L85 HydrophobicContact CE2-CD2 3.8Å; F46-L85 HydrophobicContact CG-CD1 4.42Å; F46-L85 HydrophobicContact CG-CD2 3.78Å; F46-L85 HydrophobicContact CZ-CD2 3.71Å; W54-L85 HydrophobicContact CB-CD1 4.45Å; W54-L85 HydrophobicContact CE3-CD1 3.75Å; W54-L85 HydrophobicContact CE3-CD2 4.42Å; W54-L85 HydrophobicContact CE3-CG 3.76Å; W54-L85 HydrophobicContact CZ3-CD1 4.45Å; W54-L85 HydrophobicContact CZ3-CD2 4.4Å; W54-L85 HydrophobicContact CZ3-CG 3.95Å; H55-L85 WeakPolarHBondContact O-CA 3.41Å; H55-L85 WeakPolarHBondContact O-CD1 3.2Å; C56-L85 HydrophobicContact CB-CD1 3.94Å; I74-L85 HydrophobicContact CG2-CB 3.84Å; I74-L85 HydrophobicContact CG2-CD2 4.25Å; I74-L85 HydrophobicContact CG2-CG 4.41Å; I74-L85 PolarHBondContact N-O 2.88Å; I74-L85 PolarHBondContact O-N 3.34Å
86F98.8Very high96.8Very high16 Ų1633.9 Ų33.97%0.0723%0.23CC..EExtended strand (participates in β ladder)trans-151.6155.6-178.367.4-81.3000112W54 H55 I57 V66 H68 H72 F73 L84W54-F86 CarbonylContact C-O 3.47Å; W54-F86 WeakPolarHBondContact CA-O 3.14Å; H55-F86 HydrophobicContact CB-CD1 4.11Å; H55-F86 HydrophobicContact CB-CD2 4.33Å; H55-F86 HydrophobicContact CB-CE1 3.62Å; H55-F86 HydrophobicContact CB-CE2 3.87Å; H55-F86 HydrophobicContact CB-CG 4.44Å; H55-F86 HydrophobicContact CB-CZ 3.48Å; H55-F86 VanDerWaalsContact CB-CZ 3.48Å; H55-F86 AromaticContact CD2-CE2 3.83Å; H55-F86 AromaticContact CG-CE2 3.99Å; H55-F86 AromaticContact CG-CZ 3.94Å; H55-F86 PolarHBondContact N-O 3.15Å; H55-F86 PolarHBondContact O-N 3.14Å; I57-F86 HydrophobicContact CD1-CE1 4.32Å; V66-F86 HydrophobicContact CB-CE1 4.25Å; V66-F86 HydrophobicContact CB-CE2 4.03Å; V66-F86 HydrophobicContact CB-CZ 3.87Å; V66-F86 HydrophobicContact CG1-CE1 4.01Å; V66-F86 HydrophobicContact CG1-CE2 4.42Å; V66-F86 HydrophobicContact CG1-CZ 3.76Å; V66-F86 HydrophobicContact CG2-CD1 4.15Å; V66-F86 HydrophobicContact CG2-CD2 4.32Å; V66-F86 HydrophobicContact CG2-CE1 4.09Å; V66-F86 HydrophobicContact CG2-CE2 4.26Å; V66-F86 HydrophobicContact CG2-CG 4.27Å; V66-F86 HydrophobicContact CG2-CZ 4.15Å; H68-F86 HydrophobicContact CB-CB 3.94Å; H68-F86 HydrophobicContact CB-CD2 3.98Å; H68-F86 HydrophobicContact CB-CG 4.37Å; H72-F86 CarbonylContact O-C 3.59Å; H72-F86 WeakPolarHBondContact O-CA 3.41Å; F73-F86 HydrophobicContact CB-CB 4.39Å; F73-F86 HydrophobicContact CD2-CB 3.69Å; F73-F86 HydrophobicContact CE2-CB 4.48Å; F73-F86 HydrophobicContact CG-CB 4.44Å; L84-F86 HydrophobicContact CD1-CD1 4.17Å; L84-F86 HydrophobicContact CD2-CD1 4.43Å; L84-F86 HydrophobicContact CD2-CE1 4.4Å; L84-F86 HydrophobicContact CG-CD1 4Å; L84-F86 HydrophobicContact CG-CE1 4.37Å
87K98.7Very high96.7Very high16 Ų1636.4 Ų36.47%0.0725%0.247CC..EExtended strand (participates in β ladder)trans-101.2136.1175.3-163.8-169.9168.893.20110.5Y50 N51 P52 T53 W54 H68 E69 H72Y50-K87 PolarHBondContact O-NZ 3.03Å; N51-K87 PolarHBondContact O-NZ 2.96Å; P52-K87 VanDerWaalsContact C-NZ 3.33Å; P52-K87 PolarHBondContact O-NZ 2.96Å; T53-K87 WeakPolarHBondContact O-CA 3.32Å; T53-K87 WeakPolarHBondContact O-CG 3.29Å; W54-K87 HydrophobicContact CD2-CB 4.06Å; W54-K87 HydrophobicContact CD2-CG 4.39Å; W54-K87 HydrophobicContact CE3-CB 4.14Å; W54-K87 HydrophobicContact CH2-CB 4.46Å; W54-K87 HydrophobicContact CZ2-CB 4.38Å; W54-K87 HydrophobicContact CZ3-CB 4.34Å; H68-K87 CarbonylContact C-O 3.57Å; H68-K87 VanDerWaalsContact CA-O 3.28Å; H68-K87 WeakPolarHBondContact CA-O 3.03Å; E69-K87 HydrophobicContact CB-CB 4.49Å; E69-K87 PolarHBondContact N-O 3.4Å; E69-K87 WeakPolarHBondContact OE1-CE 3.47Å; E69-K87 WeakPolarHBondContact OE1-CG 3.22Å; E69-K87 WeakPolarHBondContact OE2-CD 3.41Å; E69-K87 WeakPolarHBondContact OE2-CE 3.48Å; H72-K87 HydrophobicContact CB-CB 3.43Å; H72-K87 VanDerWaalsContact CB-CB 3.43Å; H72-K87 HydrophobicContact CB-CD 4.14Å; H72-K87 HydrophobicContact CB-CG 4.45Å; H72-K87 PolarHBondContact O-N 3.3Å
88S97.3Very high96.6Very high46 Ų4633.9 Ų33.932%0.32225%0.247SC..  trans-159.6118.1174.7178.70000109.1T53 H55T53-S88 PolarHBondContact O-N 2.97Å; H55-S88 PolarHBondContact NE2-O 3.47Å
89G90.6Very high96.6Very high116 Ų11636.8 Ų36.8100%1.19627%0.268SS*.  trans-179.60173.900000112.9E69E69-G89 PolarHBondContact OE1-N 3.37Å

Retrieved 89 of 89 residues in 83.7 ms (Link to these results)

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