A0A087YK83_POEFO Loading...

Dynein light chain

AlphaFold DB , UniProt , Accession A0A087YK83, Species POEFO (Poecilia formosa, Amazon molly), Gene DYNLL2, 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
1M46.1Very low81.9Confident225 Ų225108.9 Ų108.9100%1.10857%0.571SS**  0126.30-67.5175.4-170.400105.7D3M1-D3 PolarHBondContact O-N 3.17Å; M1-D3 VanDerWaalsContact O-N 3.17Å
2S53.2Low83.3Confident110 Ų110104.7 Ų104.777%0.76955%0.549SS*.  trans-63.8116.5177.324.40000108.5K4S2-K4 PolarHBondContact O-N 3.28Å
3D57.5Low84.4Confident159 Ų15998 Ų9885%0.8551%0.514SS*.  trans-55.7101.6174.6-67.7-57.1000108.5M1 K5M1-D3 PolarHBondContact O-N 3.17Å; M1-D3 VanDerWaalsContact O-N 3.17Å; D3-K5 PolarHBondContact O-N 2.85Å
4K72.8Confident85.4Confident111 Ų11195.6 Ų95.648%0.48351%0.509SS..  trans-71.487.4175.8-72.8-177.4-176.5171.60107.1S2 A6 M26 L78S2-K4 PolarHBondContact O-N 3.28Å; K4-A6 PolarHBondContact O-N 3.49Å; K4-M26 WeakPolarHBondContact O-CE 3.09Å; K4-L78 HydrophobicContact CB-CD2 4.46Å; K4-L78 VanDerWaalsContact O-CD2 3.23Å; K4-L78 WeakPolarHBondContact O-CD2 3.41Å
5K86.3Confident86.3Confident171 Ų17197.9 Ų97.974%0.74352%0.522SS*.  trans-59.6127.4177.8-173.7175-179.8177.50109.9D3D3-K5 PolarHBondContact O-N 2.85Å
6A95.3Very high87Confident26 Ų26101.3 Ų101.322%0.21553%0.534CS..EExtended strand (participates in β ladder)trans-69.7137.8171.800000110.6K4 V22 F76 Y77 L78K4-A6 PolarHBondContact O-N 3.49Å; A6-V22 HydrophobicContact CB-CB 4.38Å; A6-V22 HydrophobicContact CB-CG1 3.67Å; A6-V22 HydrophobicContact CB-CG2 3.71Å; A6-F76 HydrophobicContact CB-CD2 4.42Å; A6-Y77 CarbonylContact C-O 3.56Å; A6-Y77 WeakPolarHBondContact CA-O 3.46Å; A6-L78 HydrophobicContact CB-CD2 3.8Å
7V97.5Very high87.7Confident67 Ų6796.6 Ų96.641%0.40651%0.509SS..EExtended strand (participates in β ladder)trans-121.8101.4173.5-178.80000108.3K9 F76 Y77V7-K9 HydrophobicContact CG1-CD 4.32Å; V7-K9 PolarHBondContact O-N 2.85Å; V7-F76 CarbonylContact O-C 3.55Å; V7-F76 VanDerWaalsContact O-CA 3.29Å; V7-F76 WeakPolarHBondContact O-CA 3.29Å; V7-F76 WeakPolarHBondContact O-CB 3.33Å; V7-Y77 PolarHBondContact N-O 2.86Å; V7-Y77 PolarHBondContact O-N 2.85Å
8I98Very high88.3Confident73 Ų7392.8 Ų92.837%0.37449%0.488SS..EExtended strand (participates in β ladder)trans-73126.4177.4-53.5-179000108.5A11 Q18 I74 F76I8-A11 HydrophobicContact CG2-CB 4.04Å; I8-Q18 HydrophobicContact CD1-CB 4.25Å; I8-I74 HydrophobicContact CG2-CG1 4.45Å; I8-F76 HydrophobicContact CB-CB 4.44Å; I8-F76 HydrophobicContact CG1-CB 4.22Å
9K97.9Very high88.8Confident128 Ų12893.3 Ų93.356%0.55749%0.487SS*.EExtended strand (participates in β ladder)trans-101.5-38.7-179.7-67-60.2-174.8-178.40111.6V7 Y75 Y77V7-K9 HydrophobicContact CG1-CD 4.32Å; V7-K9 PolarHBondContact O-N 2.85Å; K9-Y75 HydrophobicContact CB-CD1 3.51Å; K9-Y75 HydrophobicContact CB-CE1 3.84Å; K9-Y75 HydrophobicContact CB-CG 4.46Å; K9-Y75 HydrophobicContact CG-CD1 4.19Å; K9-Y75 HydrophobicContact CG-CE1 4.07Å; K9-Y75 PolarHBondContact N-O 3.1Å; K9-Y77 HydrophobicContact CD-CD2 4.49Å; K9-Y77 HydrophobicContact CG-CD2 3.75Å; K9-Y77 HydrophobicContact CG-CE2 4.01Å
10N98Very high89.3Confident96 Ų9690.6 Ų90.651%0.51347%0.473SS..EExtended strand (participates in β ladder)trans-154.7144.7174.1-166.46.4000109.3F73 Y75N10-F73 HydrophobicContact CB-CE1 4.17Å; N10-Y75 PolarHBondContact N-O 3.36Å; N10-Y75 VanDerWaalsContact N-O 3.1Å; N10-Y75 PolarHBondContact O-N 3.15Å
11A98.2Very high89.7Confident32 Ų3286.3 Ų86.326%0.26445%0.451SS..EExtended strand (participates in β ladder)trans-153.1138.9176.800000110.3I8 Q18 F73 I74I8-A11 HydrophobicContact CG2-CB 4.04Å; A11-Q18 HydrophobicContact CB-CG 4.21Å; A11-F73 CarbonylContact C-O 3.53Å; A11-F73 WeakPolarHBondContact CA-O 3.23Å; A11-I74 HydrophobicContact CB-CG1 4.08Å
12D98.4Very high92.2Very high58 Ų5876 Ų7631%0.3140%0.4SS..EExtended strand (participates in β ladder)trans-128.982163.6173.729.3000106.3H68 K71 H72 F73D12-H68 IonicContact OD2-CE1 3.9Å; D12-K71 VanDerWaalsContact CG-N 3.32Å; D12-K71 CarbonylContact O-C 3.58Å; D12-K71 WeakPolarHBondContact O-CA 3.38Å; D12-K71 PolarHBondContact OD1-N 3.47Å; D12-K71 PolarHBondContact OD2-N 3.19Å; D12-H72 PolarHBondContact O-N 2.97Å; D12-F73 CarbonylContact C-O 3.55Å; D12-F73 HydrophobicContact CB-CB 4.32Å; D12-F73 PolarHBondContact N-O 3.31Å; D12-F73 PolarHBondContact O-N 3.01Å
13M98.3Very high94.4Very high18 Ų1873.5 Ų73.59%0.08938%0.379CS..SBendtrans-171.8169176.152164.348.500109.9M17 Q18 W54 K71 I74M13-M17 HydrophobicContact CB-CB 4.41Å; M13-M17 HydrophobicContact CB-SD 4.12Å; M13-M17 HydrophobicContact CE-CB 4.46Å; M13-M17 HydrophobicContact CE-CG 3.7Å; M13-M17 HydrophobicContact CE-SD 3.45Å; M13-M17 WeakPolarHBondContact CE-SD 3.42Å; M13-M17 HydrophobicContact SD-CB 3.97Å; M13-M17 HydrophobicContact SD-CG 3.79Å; M13-M17 HydrophobicContact SD-SD 4.19Å; M13-Q18 HydrophobicContact CG-CG 3.6Å; M13-Q18 PolarHBondContact O-NE2 2.95Å; M13-Q18 VanDerWaalsContact O-NE2 3.13Å; M13-Q18 HydrophobicContact SD-CB 4.41Å; M13-Q18 HydrophobicContact SD-CG 3.76Å; M13-W54 HydrophobicContact CE-CH2 3.87Å; M13-W54 HydrophobicContact CE-CZ3 4.06Å; M13-K71 WeakPolarHBondContact CA-O 3.1Å; M13-K71 VanDerWaalsContact CB-O 3.29Å; M13-K71 WeakPolarHBondContact CB-O 3.41Å; M13-I74 HydrophobicContact CE-CB 4.25Å; M13-I74 HydrophobicContact CE-CG2 4.09Å; M13-I74 HydrophobicContact CG-CB 4.42Å; M13-I74 HydrophobicContact SD-CB 3.81Å; M13-I74 HydrophobicContact SD-CD1 4.29Å; M13-I74 HydrophobicContact SD-CG2 4.01Å
14S98.4Very high96.3Very high64 Ų6466.6 Ų66.645%0.44834%0.342SS..  trans-67.8152.317862.90000112.6E16 M17 Q18S14-E16 PolarHBondContact O-N 2.83Å; S14-M17 PolarHBondContact O-N 2.86Å; S14-M17 WeakPolarHBondContact OG-CB 3.37Å; S14-M17 PolarHBondContact OG-N 2.82Å; S14-Q18 WeakPolarHBondContact O-CG 3.39Å; S14-Q18 PolarHBondContact O-N 3.13Å
15D98.1Very high97.5Very high131 Ų13161.3 Ų61.370%0.70132%0.319SS*.Hα-helixtrans-58.5-35.4178.2-64-23000112.5Q18 Q19D15-Q18 PolarHBondContact O-N 3.1Å; D15-Q18 PolarHBondContact OD1-NE2 3.34Å; D15-Q19 PolarHBondContact O-N 3.47Å
16E98.3Very high98Very high151 Ų15156.2 Ų56.271%0.70630%0.299SS*.Hα-helixtrans-60.9-45.9173.6-173.9-179.2178.400111.4S14 Q18 Q19 D20S14-E16 PolarHBondContact O-N 2.83Å; E16-Q18 VanDerWaalsContact C-N 3.33Å; E16-Q18 PolarHBondContact O-N 2.79Å; E16-Q19 PolarHBondContact O-N 3.31Å; E16-D20 PolarHBondContact O-N 2.93Å
17M98.6Very high98.1Very high22 Ų2259.3 Ų59.311%0.10831%0.309CS..Hα-helixtrans-69.4-32178.3-166.6179.5-62.100111.9M13 S14 D20 A21 F46 Y50 W54M13-M17 HydrophobicContact CB-CB 4.41Å; M13-M17 HydrophobicContact CB-SD 4.12Å; M13-M17 HydrophobicContact CE-CB 4.46Å; M13-M17 HydrophobicContact CE-CG 3.7Å; M13-M17 HydrophobicContact CE-SD 3.45Å; M13-M17 WeakPolarHBondContact CE-SD 3.42Å; M13-M17 HydrophobicContact SD-CB 3.97Å; M13-M17 HydrophobicContact SD-CG 3.79Å; M13-M17 HydrophobicContact SD-SD 4.19Å; S14-M17 PolarHBondContact O-N 2.86Å; S14-M17 WeakPolarHBondContact OG-CB 3.37Å; S14-M17 PolarHBondContact OG-N 2.82Å; M17-D20 PolarHBondContact O-N 3.02Å; M17-A21 WeakPolarHBondContact O-CB 3.44Å; M17-A21 PolarHBondContact O-N 3.26Å; M17-F46 HydrophobicContact CG-CE1 4.02Å; M17-Y50 HydrophobicContact CE-CD1 3.65Å; M17-Y50 HydrophobicContact CE-CE1 3.75Å; M17-Y50 HydrophobicContact CE-CG 4.22Å; M17-Y50 HydrophobicContact CG-CE1 4.25Å; M17-Y50 HydrophobicContact CG-CE2 4.22Å; M17-W54 HydrophobicContact SD-CH2 3.79Å; M17-W54 HydrophobicContact SD-CZ2 4.19Å
18Q98.6Very high98.1Very high28 Ų2856.1 Ų56.113%0.13129%0.29CS..Hα-helixtrans-64.2-45.1172.7-64.717547.200111.1I8 A11 M13 S14 D15 E16 A21 V22 I74I8-Q18 HydrophobicContact CD1-CB 4.25Å; A11-Q18 HydrophobicContact CB-CG 4.21Å; M13-Q18 HydrophobicContact CG-CG 3.6Å; M13-Q18 PolarHBondContact O-NE2 2.95Å; M13-Q18 VanDerWaalsContact O-NE2 3.13Å; M13-Q18 HydrophobicContact SD-CB 4.41Å; M13-Q18 HydrophobicContact SD-CG 3.76Å; S14-Q18 WeakPolarHBondContact O-CG 3.39Å; S14-Q18 PolarHBondContact O-N 3.13Å; D15-Q18 PolarHBondContact O-N 3.1Å; D15-Q18 PolarHBondContact OD1-NE2 3.34Å; E16-Q18 VanDerWaalsContact C-N 3.33Å; E16-Q18 PolarHBondContact O-N 2.79Å; Q18-A21 WeakPolarHBondContact O-CB 3.29Å; Q18-A21 PolarHBondContact O-N 3.29Å; Q18-V22 WeakPolarHBondContact O-CG2 3.46Å; Q18-V22 PolarHBondContact O-N 3.21Å; Q18-I74 HydrophobicContact CB-CD1 3.92Å; Q18-I74 HydrophobicContact CG-CD1 3.91Å
19Q98.2Very high98Very high103 Ų10354 Ų5448%0.48128%0.279SS..Hα-helixtrans-62.4-44.7176.7-173.758.551.500111D15 E16 A21 V22 D23D15-Q19 PolarHBondContact O-N 3.47Å; E16-Q19 PolarHBondContact O-N 3.31Å; Q19-A21 VanDerWaalsContact C-N 3.28Å; Q19-A21 PolarHBondContact O-N 2.95Å; Q19-V22 PolarHBondContact O-N 2.85Å; Q19-V22 VanDerWaalsContact O-N 3.17Å; Q19-D23 PolarHBondContact NE2-OD1 2.81Å; Q19-D23 PolarHBondContact NE2-OD2 2.99Å; Q19-D23 VanDerWaalsContact NE2-OD2 3.1Å; Q19-D23 WeakPolarHBondContact O-CB 3.38Å; Q19-D23 VanDerWaalsContact O-CG 3.32Å; Q19-D23 PolarHBondContact O-N 3.09Å
20D98.4Very high97.9Very high39 Ų3955.4 Ų55.421%0.20929%0.287CS..Hα-helixtrans-58.6-38.1174.4-79.2-49.3000112.6E16 M17 C24 F46 K49 Y50E16-D20 PolarHBondContact O-N 2.93Å; M17-D20 PolarHBondContact O-N 3.02Å; D20-C24 WeakPolarHBondContact O-CB 3.45Å; D20-C24 PolarHBondContact O-N 3.17Å; D20-F46 HydrophobicContact CB-CZ 4.41Å; D20-K49 IonicContact OD1-NZ 2.69Å; D20-K49 PolarHBondContact OD1-NZ 3.38Å; D20-K49 IonicContact OD2-NZ 2.84Å; D20-K49 PolarHBondContact OD2-NZ 3.05Å; D20-Y50 WeakPolarHBondContact CB-OH 3.45Å; D20-Y50 VanDerWaalsContact CG-OH 3.24Å; D20-Y50 PolarHBondContact OD2-OH 3.43Å
21A98.6Very high97.9Very high0 Ų056.5 Ų56.50%029%0.287CS..Hα-helixtrans-66-42.3176.700000111.9M17 Q18 Q19 T25 F46 I74 F76 L85M17-A21 WeakPolarHBondContact O-CB 3.44Å; M17-A21 PolarHBondContact O-N 3.26Å; Q18-A21 WeakPolarHBondContact O-CB 3.29Å; Q18-A21 PolarHBondContact O-N 3.29Å; Q19-A21 VanDerWaalsContact C-N 3.28Å; Q19-A21 PolarHBondContact O-N 2.95Å; A21-T25 VanDerWaalsContact O-CB 3.29Å; A21-T25 WeakPolarHBondContact O-CB 3.5Å; A21-T25 PolarHBondContact O-N 3.32Å; A21-T25 PolarHBondContact O-OG1 2.88Å; A21-F46 VanDerWaalsContact CA-CZ 3.43Å; A21-F46 HydrophobicContact CB-CE1 4.36Å; A21-F46 HydrophobicContact CB-CE2 4.19Å; A21-F46 HydrophobicContact CB-CZ 3.58Å; A21-I74 HydrophobicContact CB-CD1 4.25Å; A21-I74 HydrophobicContact CB-CG2 4.1Å; A21-F76 HydrophobicContact CB-CE1 4.37Å; A21-L85 HydrophobicContact CB-CD2 3.99Å
22V98.3Very high97.8Very high8 Ų859.2 Ų59.25%0.04829%0.291CS..Hα-helixtrans-64.1-50.2176.4170.70000110.5A6 Q18 Q19 T25 M26 F76A6-V22 HydrophobicContact CB-CB 4.38Å; A6-V22 HydrophobicContact CB-CG1 3.67Å; A6-V22 HydrophobicContact CB-CG2 3.71Å; Q18-V22 WeakPolarHBondContact O-CG2 3.46Å; Q18-V22 PolarHBondContact O-N 3.21Å; Q19-V22 PolarHBondContact O-N 2.85Å; Q19-V22 VanDerWaalsContact O-N 3.17Å; V22-T25 PolarHBondContact O-N 3.25Å; V22-M26 HydrophobicContact CG1-CE 4.06Å; V22-M26 HydrophobicContact CG1-CG 4.46Å; V22-M26 HydrophobicContact CG1-SD 4.29Å; V22-M26 WeakPolarHBondContact O-CG 3.32Å; V22-M26 PolarHBondContact O-N 2.99Å; V22-F76 HydrophobicContact CG2-CD2 4.14Å; V22-F76 HydrophobicContact CG2-CE2 3.95Å; V22-F76 HydrophobicContact CG2-CZ 4.34Å
23D98.1Very high97.6Very high59 Ų5964 Ų6432%0.31632%0.317SS..Hα-helixtrans-65.7-43.3-177.1-68-21.5000111.6Q19 T25 M26 Q27Q19-D23 PolarHBondContact NE2-OD1 2.81Å; Q19-D23 PolarHBondContact NE2-OD2 2.99Å; Q19-D23 VanDerWaalsContact NE2-OD2 3.1Å; Q19-D23 WeakPolarHBondContact O-CB 3.38Å; Q19-D23 VanDerWaalsContact O-CG 3.32Å; Q19-D23 PolarHBondContact O-N 3.09Å; D23-T25 VanDerWaalsContact C-N 3.28Å; D23-T25 PolarHBondContact O-N 2.9Å; D23-M26 PolarHBondContact O-N 3.39Å; D23-Q27 WeakPolarHBondContact O-CG 3.49Å; D23-Q27 PolarHBondContact O-N 3.26Å
24C98.4Very high97.5Very high13 Ų1367.8 Ų67.89%0.08834%0.337CS..Hα-helixtrans-58.9-42.3174.4-175.20000111.2D20 Q27 A28 F46D20-C24 WeakPolarHBondContact O-CB 3.45Å; D20-C24 PolarHBondContact O-N 3.17Å; C24-Q27 PolarHBondContact O-N 2.84Å; C24-A28 WeakPolarHBondContact O-CB 3.41Å; C24-A28 PolarHBondContact O-N 3.29Å; C24-F46 HydrophobicContact CB-CE2 4.05Å
25T98.2Very high97.5Very high0 Ų068.2 Ų68.20%033%0.331CS..Hα-helixtrans-70.3-38.9178.7-57.20000112.2A21 V22 D23 A28 M29 F76 L78 I83A21-T25 VanDerWaalsContact O-CB 3.29Å; A21-T25 WeakPolarHBondContact O-CB 3.5Å; A21-T25 PolarHBondContact O-N 3.32Å; A21-T25 PolarHBondContact O-OG1 2.88Å; V22-T25 PolarHBondContact O-N 3.25Å; D23-T25 VanDerWaalsContact C-N 3.28Å; D23-T25 PolarHBondContact O-N 2.9Å; T25-A28 WeakPolarHBondContact O-CB 3.29Å; T25-A28 PolarHBondContact O-N 3.2Å; T25-M29 HydrophobicContact CG2-CE 3.96Å; T25-M29 WeakPolarHBondContact O-CG 3.33Å; T25-M29 PolarHBondContact O-N 2.91Å; T25-F76 HydrophobicContact CG2-CE2 4.47Å; T25-F76 HydrophobicContact CG2-CZ 4.26Å; T25-L78 HydrophobicContact CG2-CD1 3.52Å; T25-I83 HydrophobicContact CG2-CD1 3.86Å; T25-I83 HydrophobicContact CG2-CG1 3.76Å
26M96.9Very high97.5Very high65 Ų6569.1 Ų69.132%0.3233%0.329SS..Hα-helixtrans-59.1-48.2173.9-76-175.2167.800111K4 V22 D23 A28 M29 E30 L78K4-M26 WeakPolarHBondContact O-CE 3.09Å; V22-M26 HydrophobicContact CG1-CE 4.06Å; V22-M26 HydrophobicContact CG1-CG 4.46Å; V22-M26 HydrophobicContact CG1-SD 4.29Å; V22-M26 WeakPolarHBondContact O-CG 3.32Å; V22-M26 PolarHBondContact O-N 2.99Å; D23-M26 PolarHBondContact O-N 3.39Å; M26-A28 VanDerWaalsContact C-N 3.29Å; M26-A28 PolarHBondContact O-N 3.17Å; M26-M29 PolarHBondContact O-N 3.09Å; M26-M29 VanDerWaalsContact O-N 3.17Å; M26-E30 PolarHBondContact O-N 3.36Å; M26-E30 VanDerWaalsContact O-N 3.09Å; M26-L78 HydrophobicContact CE-CD2 3.72Å; M26-L78 HydrophobicContact CG-CD1 4.08Å; M26-L78 HydrophobicContact CG-CD2 4.25Å
27Q97.1Very high97.5Very high90 Ų9064.4 Ų64.442%0.42131%0.309SS..Hα-helixtrans-60.1-39.4175.4-68.4173.935.100112.4D23 C24 E30 K31D23-Q27 WeakPolarHBondContact O-CG 3.49Å; D23-Q27 PolarHBondContact O-N 3.26Å; C24-Q27 PolarHBondContact O-N 2.84Å; Q27-E30 PolarHBondContact O-N 2.83Å; Q27-K31 WeakPolarHBondContact O-CG 3.13Å; Q27-K31 PolarHBondContact O-N 3.43Å
28A97.9Very high97.5Very high0 Ų063.9 Ų63.90%031%0.306CS..Hα-helixtrans-63.9-42.2176.600000111.6C24 T25 M26 E30 K31 Y32 I38 Y41 V42C24-A28 WeakPolarHBondContact O-CB 3.41Å; C24-A28 PolarHBondContact O-N 3.29Å; T25-A28 WeakPolarHBondContact O-CB 3.29Å; T25-A28 PolarHBondContact O-N 3.2Å; M26-A28 VanDerWaalsContact C-N 3.29Å; M26-A28 PolarHBondContact O-N 3.17Å; A28-E30 VanDerWaalsContact C-N 3.29Å; A28-E30 PolarHBondContact O-N 2.95Å; A28-K31 PolarHBondContact O-N 2.95Å; A28-Y32 VanDerWaalsContact O-CD2 3.3Å; A28-Y32 WeakPolarHBondContact O-CD2 3.46Å; A28-Y32 PolarHBondContact O-N 2.86Å; A28-I38 HydrophobicContact CB-CB 4.46Å; A28-I38 HydrophobicContact CB-CG2 3.79Å; A28-Y41 HydrophobicContact CB-CD1 3.52Å; A28-Y41 HydrophobicContact CB-CE1 4.14Å; A28-Y41 HydrophobicContact CB-CG 4.11Å; A28-V42 HydrophobicContact CB-CG2 3.98Å
29M96Very high97.5Very high30 Ų3063.1 Ų63.115%0.14831%0.305CS..Hα-helixtrans-69.6-21.7178.3-72.8-168.1179.800114T25 M26 I38 L78 V81 I83T25-M29 HydrophobicContact CG2-CE 3.96Å; T25-M29 WeakPolarHBondContact O-CG 3.33Å; T25-M29 PolarHBondContact O-N 2.91Å; M26-M29 PolarHBondContact O-N 3.09Å; M26-M29 VanDerWaalsContact O-N 3.17Å; M29-I38 HydrophobicContact CG-CD1 4.08Å; M29-I38 HydrophobicContact CG-CG2 4.3Å; M29-L78 HydrophobicContact CE-CB 4.08Å; M29-L78 HydrophobicContact CE-CD1 4.28Å; M29-L78 HydrophobicContact SD-CB 4.16Å; M29-L78 HydrophobicContact SD-CD1 4.22Å; M29-V81 HydrophobicContact CE-CB 3.88Å; M29-V81 HydrophobicContact CE-CG1 3.77Å; M29-V81 HydrophobicContact CE-CG2 4.48Å; M29-I83 HydrophobicContact CE-CD1 3.85Å; M29-I83 HydrophobicContact CE-CG1 4.48Å
30E95.7Very high97.5Very high156 Ų15660 Ų6073%0.72930%0.296SS*.Hα-helixtrans-76.3-32.1171.5-71.4176.9176.400112.2M26 Q27 A28M26-E30 PolarHBondContact O-N 3.36Å; M26-E30 VanDerWaalsContact O-N 3.09Å; Q27-E30 PolarHBondContact O-N 2.83Å; A28-E30 VanDerWaalsContact C-N 3.29Å; A28-E30 PolarHBondContact O-N 2.95Å
31K96.4Very high97.6Very high120 Ų12059.6 Ų59.652%0.52229%0.292SS..Hα-helixtrans-90-30.9-176.5-68.4175.9-174.7174.40113.5Q27 A28 Y41Q27-K31 WeakPolarHBondContact O-CG 3.13Å; Q27-K31 PolarHBondContact O-N 3.43Å; A28-K31 PolarHBondContact O-N 2.95Å; K31-Y41 HydrophobicContact CD-CE2 4.34Å; K31-Y41 PolarHBondContact NZ-OH 3.21Å
32Y97.2Very high97.6Very high88 Ų8859.6 Ų59.635%0.34529%0.292SS..  trans-130.3140.7-169.5-52.8-70.1000111.8A28 D37 Y41A28-Y32 VanDerWaalsContact O-CD2 3.3Å; A28-Y32 WeakPolarHBondContact O-CD2 3.46Å; A28-Y32 PolarHBondContact O-N 2.86Å; Y32-D37 HydrophobicContact CD1-CB 4.03Å; Y32-D37 HydrophobicContact CG-CB 4.07Å; Y32-Y41 AromaticContact CE2-CD2 3.58Å; Y32-Y41 HydrophobicContact CE2-CD2 3.58Å; Y32-Y41 HydrophobicContact CE2-CE2 4.34Å; Y32-Y41 AromaticContact CE2-CG 3.83Å; Y32-Y41 HydrophobicContact CE2-CG 3.83Å
33N94.1Very high97.6Very high159 Ų15962.1 Ų62.185%0.8530%0.303SS*.SBendtrans-102.9-12.3178-67.5-50.7000113.6
34I96.9Very high97.6Very high97 Ų9766 Ų6650%0.49732%0.317SS..SBendtrans-102.9127.7-176.4-58.3177.6000108.7K36 D37 I38I34-K36 HydrophobicContact CG2-CB 4.12Å; I34-K36 PolarHBondContact O-N 2.96Å; I34-D37 PolarHBondContact O-N 3.48Å; I34-I38 WeakPolarHBondContact O-CG1 3.31Å; I34-I38 PolarHBondContact O-N 2.69Å; I34-I38 VanDerWaalsContact O-N 3.13Å
35E97.8Very high97.6Very high73 Ų7368.9 Ų68.934%0.34133%0.329SS..Hα-helixtrans-55.2-39.6-175.7-68.289.7164.800112.9D37 I38 A39 V58E35-D37 VanDerWaalsContact C-N 3.3Å; E35-D37 PolarHBondContact O-N 2.6Å; E35-I38 PolarHBondContact O-N 2.9Å; E35-A39 WeakPolarHBondContact O-CB 3.45Å; E35-A39 PolarHBondContact O-N 3.06Å; E35-V58 HydrophobicContact CB-CB 4.15Å; E35-V58 HydrophobicContact CB-CG1 4Å; E35-V58 WeakPolarHBondContact CB-O 3.48Å; E35-V58 HydrophobicContact CG-CG1 3.99Å
36K98.1Very high97.7Very high150 Ų15069 Ų6965%0.65233%0.33SS*.Hα-helixtrans-57.6-42.3176.6-174.1-157.566165.10112.1I34 A40I34-K36 HydrophobicContact CG2-CB 4.12Å; I34-K36 PolarHBondContact O-N 2.96Å; K36-A40 WeakPolarHBondContact O-CB 3.48Å; K36-A40 PolarHBondContact O-N 2.9Å
37D98.4Very high97.8Very high52 Ų5267.3 Ų67.328%0.27832%0.322SS..Hα-helixtrans-76.7-35.5-176.5-61.6-27.9000111Y32 I34 E35 A40 Y41Y32-D37 HydrophobicContact CD1-CB 4.03Å; Y32-D37 HydrophobicContact CG-CB 4.07Å; I34-D37 PolarHBondContact O-N 3.48Å; E35-D37 VanDerWaalsContact C-N 3.3Å; E35-D37 PolarHBondContact O-N 2.6Å; D37-A40 PolarHBondContact O-N 2.84Å; D37-Y41 PolarHBondContact O-N 3.04Å
38I98.6Very high97.8Very high11 Ų1170.9 Ų70.96%0.05634%0.336CS..Hα-helixtrans-59.2-52.2170.3-61.8165.9000109.9A28 M29 I34 E35 A40 Y41 V42 V58A28-I38 HydrophobicContact CB-CB 4.46Å; A28-I38 HydrophobicContact CB-CG2 3.79Å; M29-I38 HydrophobicContact CG-CD1 4.08Å; M29-I38 HydrophobicContact CG-CG2 4.3Å; I34-I38 WeakPolarHBondContact O-CG1 3.31Å; I34-I38 PolarHBondContact O-N 2.69Å; I34-I38 VanDerWaalsContact O-N 3.13Å; E35-I38 PolarHBondContact O-N 2.9Å; I38-A40 VanDerWaalsContact C-N 3.31Å; I38-A40 PolarHBondContact O-N 2.71Å; I38-Y41 PolarHBondContact O-N 2.98Å; I38-V42 WeakPolarHBondContact O-CG2 3.42Å; I38-V42 PolarHBondContact O-N 3.41Å; I38-V58 HydrophobicContact CG2-CG1 4.3Å; I38-V58 HydrophobicContact CG2-CG2 4.06Å
39A98.8Very high97.8Very high12 Ų1276.5 Ų76.510%0.09936%0.36CS..Hα-helixtrans-59.2-43179.300000111.8E35 Y41 V42 K43 C56 V58E35-A39 WeakPolarHBondContact O-CB 3.45Å; E35-A39 PolarHBondContact O-N 3.06Å; A39-Y41 VanDerWaalsContact C-N 3.34Å; A39-Y41 PolarHBondContact O-N 3.49Å; A39-V42 PolarHBondContact O-N 3.23Å; A39-K43 VanDerWaalsContact O-CB 3.24Å; A39-K43 WeakPolarHBondContact O-CB 3.43Å; A39-K43 PolarHBondContact O-N 2.79Å; A39-C56 HydrophobicContact CB-CB 4.29Å; A39-C56 WeakPolarHBondContact O-CB 3.46Å; A39-V58 HydrophobicContact CB-CB 4.25Å; A39-V58 HydrophobicContact CB-CG2 3.76Å
40A98.8Very high98Very high37 Ų3776.9 Ų76.931%0.30636%0.36SS..Hα-helixtrans-63.7-38.2177.800000112.5K36 D37 I38 K44K36-A40 WeakPolarHBondContact O-CB 3.48Å; K36-A40 PolarHBondContact O-N 2.9Å; D37-A40 PolarHBondContact O-N 2.84Å; I38-A40 VanDerWaalsContact C-N 3.31Å; I38-A40 PolarHBondContact O-N 2.71Å; A40-K44 WeakPolarHBondContact O-CB 3.33Å; A40-K44 VanDerWaalsContact O-CG 3.23Å; A40-K44 WeakPolarHBondContact O-CG 3.4Å; A40-K44 PolarHBondContact O-N 2.87Å; A40-K44 VanDerWaalsContact O-N 3.13Å
41Y98.8Very high98.1Very high32 Ų3275 Ų7513%0.12536%0.355CS..Hα-helixtrans-65.2-53.1175.7-179.7-87.5000111.4A28 K31 Y32 D37 I38 A39 K43 K44 E45A28-Y41 HydrophobicContact CB-CD1 3.52Å; A28-Y41 HydrophobicContact CB-CE1 4.14Å; A28-Y41 HydrophobicContact CB-CG 4.11Å; K31-Y41 HydrophobicContact CD-CE2 4.34Å; K31-Y41 PolarHBondContact NZ-OH 3.21Å; Y32-Y41 AromaticContact CE2-CD2 3.58Å; Y32-Y41 HydrophobicContact CE2-CD2 3.58Å; Y32-Y41 HydrophobicContact CE2-CE2 4.34Å; Y32-Y41 AromaticContact CE2-CG 3.83Å; Y32-Y41 HydrophobicContact CE2-CG 3.83Å; D37-Y41 PolarHBondContact O-N 3.04Å; I38-Y41 PolarHBondContact O-N 2.98Å; A39-Y41 VanDerWaalsContact C-N 3.34Å; A39-Y41 PolarHBondContact O-N 3.49Å; Y41-K43 VanDerWaalsContact C-N 3.33Å; Y41-K43 PolarHBondContact O-N 3.47Å; Y41-K44 PolarHBondContact O-N 2.92Å; Y41-K44 VanDerWaalsContact O-N 3.15Å; Y41-E45 HydrophobicContact CD1-CG 4.21Å; Y41-E45 HydrophobicContact CE1-CG 3.89Å; Y41-E45 HydrophobicContact CE2-CG 4.47Å; Y41-E45 PolarHBondContact O-N 2.9Å
42V98.8Very high98.2Very high0 Ų073.1 Ų73.10%036%0.355CS..Hα-helixtrans-59.6-45.6-178.1176.60000110.8A28 I38 A39 K44 E45 F46 L85A28-V42 HydrophobicContact CB-CG2 3.98Å; I38-V42 WeakPolarHBondContact O-CG2 3.42Å; I38-V42 PolarHBondContact O-N 3.41Å; A39-V42 PolarHBondContact O-N 3.23Å; V42-K44 PolarHBondContact O-N 3.31Å; V42-E45 PolarHBondContact O-N 3.38Å; V42-F46 HydrophobicContact CG1-CD2 4.15Å; V42-F46 HydrophobicContact CG1-CE2 4.49Å; V42-F46 WeakPolarHBondContact O-CB 3.29Å; V42-F46 WeakPolarHBondContact O-CD2 3.06Å; V42-F46 PolarHBondContact O-N 3.32Å; V42-L85 HydrophobicContact CG1-CD1 4.15Å; V42-L85 HydrophobicContact CG1-CD2 3.93Å
43K98.8Very high98.2Very high61 Ų6171.6 Ų71.627%0.26536%0.355SS..Hα-helixtrans-54.7-50.7175.1-172.6-157-179.6-44.90111.9A39 Y41 F46 D47 W54 C56A39-K43 VanDerWaalsContact O-CB 3.24Å; A39-K43 WeakPolarHBondContact O-CB 3.43Å; A39-K43 PolarHBondContact O-N 2.79Å; Y41-K43 VanDerWaalsContact C-N 3.33Å; Y41-K43 PolarHBondContact O-N 3.47Å; K43-F46 PolarHBondContact O-N 2.78Å; K43-D47 IonicContact NZ-OD1 3.65Å; K43-D47 IonicContact NZ-OD2 2.63Å; K43-D47 PolarHBondContact NZ-OD2 2.83Å; K43-D47 WeakPolarHBondContact O-CB 3.3Å; K43-D47 VanDerWaalsContact O-CG 3.32Å; K43-D47 PolarHBondContact O-N 3.37Å; K43-W54 WeakPolarHBondContact CE-O 3.47Å; K43-W54 HydrophobicContact CG-CB 4.37Å; K43-W54 WeakPolarHBondContact CG-O 3.43Å; K43-W54 PolarHBondContact NZ-O 2.99Å; K43-C56 HydrophobicContact CB-CB 4.02Å
44K98.8Very high98.4Very high140 Ų14064 Ų6461%0.60932%0.315SS*.Hα-helixtrans-63.3-41.9-177.5-78.3174.3-179.4-179.40112.4A40 Y41 V42 K48A40-K44 WeakPolarHBondContact O-CB 3.33Å; A40-K44 VanDerWaalsContact O-CG 3.23Å; A40-K44 WeakPolarHBondContact O-CG 3.4Å; A40-K44 PolarHBondContact O-N 2.87Å; A40-K44 VanDerWaalsContact O-N 3.13Å; Y41-K44 PolarHBondContact O-N 2.92Å; Y41-K44 VanDerWaalsContact O-N 3.15Å; V42-K44 PolarHBondContact O-N 3.31Å; K44-K48 WeakPolarHBondContact O-CB 3.5Å; K44-K48 PolarHBondContact O-N 2.96Å
45E98.8Very high98.5Very high73 Ų7362.6 Ų62.634%0.34131%0.306SS..Hα-helixtrans-67.1-39.5178-70-57.4120.800111.5Y41 V42 K48 K49Y41-E45 HydrophobicContact CD1-CG 4.21Å; Y41-E45 HydrophobicContact CE1-CG 3.89Å; Y41-E45 HydrophobicContact CE2-CG 4.47Å; Y41-E45 PolarHBondContact O-N 2.9Å; V42-E45 PolarHBondContact O-N 3.38Å; E45-K48 PolarHBondContact O-N 2.94Å; E45-K49 WeakPolarHBondContact O-CB 3.38Å; E45-K49 PolarHBondContact O-N 3Å
46F98.7Very high98.5Very high4 Ų460.1 Ų60.12%0.01830%0.297CS..Hα-helixtrans-69.5-40175.7-92.9-107.1000113.2M17 D20 A21 C24 V42 K43 K48 K49 Y50 W54 L85M17-F46 HydrophobicContact CG-CE1 4.02Å; D20-F46 HydrophobicContact CB-CZ 4.41Å; A21-F46 VanDerWaalsContact CA-CZ 3.43Å; A21-F46 HydrophobicContact CB-CE1 4.36Å; A21-F46 HydrophobicContact CB-CE2 4.19Å; A21-F46 HydrophobicContact CB-CZ 3.58Å; C24-F46 HydrophobicContact CB-CE2 4.05Å; V42-F46 HydrophobicContact CG1-CD2 4.15Å; V42-F46 HydrophobicContact CG1-CE2 4.49Å; V42-F46 WeakPolarHBondContact O-CB 3.29Å; V42-F46 WeakPolarHBondContact O-CD2 3.06Å; V42-F46 PolarHBondContact O-N 3.32Å; K43-F46 PolarHBondContact O-N 2.78Å; F46-K48 VanDerWaalsContact C-N 3.26Å; F46-K48 PolarHBondContact O-N 3.34Å; F46-K49 PolarHBondContact O-N 3.06Å; F46-Y50 HydrophobicContact CB-CD2 4.41Å; F46-Y50 AromaticContact CD1-CD2 3.43Å; F46-Y50 HydrophobicContact CD1-CD2 3.43Å; F46-Y50 VanDerWaalsContact CD1-CD2 3.43Å; F46-Y50 AromaticContact CD1-CE2 3.7Å; F46-Y50 HydrophobicContact CD1-CE2 3.7Å; F46-Y50 AromaticContact CE1-CD2 3.7Å; F46-Y50 HydrophobicContact CE1-CD2 3.7Å; F46-Y50 AromaticContact CE1-CE2 3.49Å; F46-Y50 HydrophobicContact CE1-CE2 3.49Å; F46-Y50 VanDerWaalsContact CE1-CE2 3.49Å; F46-Y50 HydrophobicContact CE2-CE2 4.4Å; F46-Y50 AromaticContact CG-CD2 3.99Å; F46-Y50 HydrophobicContact CG-CD2 3.99Å; F46-Y50 HydrophobicContact CG-CE2 4.25Å; F46-Y50 HydrophobicContact CZ-CD2 4.43Å; F46-Y50 AromaticContact CZ-CE2 3.85Å; F46-Y50 HydrophobicContact CZ-CE2 3.85Å; F46-Y50 PolarHBondContact O-N 3.38Å; F46-W54 VanDerWaalsContact C-CD1 3.49Å; F46-W54 HydrophobicContact CB-CB 4.2Å; F46-W54 HydrophobicContact CB-CD2 3.82Å; F46-W54 HydrophobicContact CB-CE3 4.35Å; F46-W54 HydrophobicContact CB-CG 3.73Å; F46-W54 AromaticContact CD1-CD2 3.88Å; F46-W54 HydrophobicContact CD1-CD2 3.88Å; F46-W54 AromaticContact CD1-CE2 3.83Å; F46-W54 AromaticContact CD1-CE3 3.84Å; F46-W54 HydrophobicContact CD1-CE3 3.84Å; F46-W54 AromaticContact CD1-CH2 3.7Å; F46-W54 HydrophobicContact CD1-CH2 3.7Å; F46-W54 AromaticContact CD1-CZ2 3.74Å; F46-W54 HydrophobicContact CD1-CZ2 3.74Å; F46-W54 AromaticContact CD1-CZ3 3.76Å; F46-W54 HydrophobicContact CD1-CZ3 3.76Å; F46-W54 HydrophobicContact CE1-CH2 4.07Å; F46-W54 HydrophobicContact CE1-CZ2 4.41Å; F46-W54 HydrophobicContact CE1-CZ3 4.24Å; F46-W54 HydrophobicContact CG-CD2 4.31Å; F46-W54 HydrophobicContact CG-CE3 4.46Å; F46-W54 PolarHBondContact O-NE1 3.34Å; F46-L85 HydrophobicContact CD1-CD2 3.7Å; F46-L85 HydrophobicContact CD1-CG 4.44Å; F46-L85 HydrophobicContact CD2-CD2 3.91Å; F46-L85 HydrophobicContact CE1-CD2 3.63Å; F46-L85 HydrophobicContact CE2-CD2 3.86Å; F46-L85 HydrophobicContact CG-CD1 4.44Å; F46-L85 HydrophobicContact CG-CD2 3.85Å; F46-L85 HydrophobicContact CZ-CD2 3.74Å
47D98.6Very high98.6Very high28 Ų2856.1 Ų56.115%0.1528%0.281CS..Hα-helixtrans-56.6-42.6170.8-78.5-26.4000111.2K43 N51 P52 W54K43-D47 IonicContact NZ-OD1 3.65Å; K43-D47 IonicContact NZ-OD2 2.63Å; K43-D47 PolarHBondContact NZ-OD2 2.83Å; K43-D47 WeakPolarHBondContact O-CB 3.3Å; K43-D47 VanDerWaalsContact O-CG 3.32Å; K43-D47 PolarHBondContact O-N 3.37Å; D47-N51 CarbonylContact O-C 3.26Å; D47-N51 VanDerWaalsContact O-C 3.26Å; D47-N51 WeakPolarHBondContact O-CA 3.29Å; D47-N51 PolarHBondContact O-N 2.83Å; D47-P52 HydrophobicContact CB-CG 4.25Å; D47-P52 WeakPolarHBondContact O-CD 3.45Å; D47-P52 WeakPolarHBondContact OD1-CA 3.46Å; D47-W54 WeakPolarHBondContact OD1-CB 3.22Å; D47-W54 PolarHBondContact OD1-N 3.39Å
48K98.6Very high98.6Very high165 Ų16554.3 Ų54.372%0.71727%0.272SS*.Hα-helixtrans-71-41.2-179.8-176.2-177.4174.5-170.50112.6K44 E45 F46K44-K48 WeakPolarHBondContact O-CB 3.5Å; K44-K48 PolarHBondContact O-N 2.96Å; E45-K48 PolarHBondContact O-N 2.94Å; F46-K48 VanDerWaalsContact C-N 3.26Å; F46-K48 PolarHBondContact O-N 3.34Å
49K98.5Very high98.5Very high119 Ų11954.3 Ų54.352%0.51728%0.275SS..Hα-helixtrans-84.7-37.4-174.2-170.8174.5-178.5-168.40113.2D20 E45 F46D20-K49 IonicContact OD1-NZ 2.69Å; D20-K49 PolarHBondContact OD1-NZ 3.38Å; D20-K49 IonicContact OD2-NZ 2.84Å; D20-K49 PolarHBondContact OD2-NZ 3.05Å; E45-K49 WeakPolarHBondContact O-CB 3.38Å; E45-K49 PolarHBondContact O-N 3Å; F46-K49 PolarHBondContact O-N 3.06Å
50Y98.2Very high98.4Very high38 Ų3860.7 Ų60.715%0.14930%0.297CS..Hα-helixtrans-121.518.7-172-54.1-73.4000113.9M17 D20 F46 W54 K87M17-Y50 HydrophobicContact CE-CD1 3.65Å; M17-Y50 HydrophobicContact CE-CE1 3.75Å; M17-Y50 HydrophobicContact CE-CG 4.22Å; M17-Y50 HydrophobicContact CG-CE1 4.25Å; M17-Y50 HydrophobicContact CG-CE2 4.22Å; D20-Y50 WeakPolarHBondContact CB-OH 3.45Å; D20-Y50 VanDerWaalsContact CG-OH 3.24Å; D20-Y50 PolarHBondContact OD2-OH 3.43Å; F46-Y50 HydrophobicContact CB-CD2 4.41Å; F46-Y50 AromaticContact CD1-CD2 3.43Å; F46-Y50 HydrophobicContact CD1-CD2 3.43Å; F46-Y50 VanDerWaalsContact CD1-CD2 3.43Å; F46-Y50 AromaticContact CD1-CE2 3.7Å; F46-Y50 HydrophobicContact CD1-CE2 3.7Å; F46-Y50 AromaticContact CE1-CD2 3.7Å; F46-Y50 HydrophobicContact CE1-CD2 3.7Å; F46-Y50 AromaticContact CE1-CE2 3.49Å; F46-Y50 HydrophobicContact CE1-CE2 3.49Å; F46-Y50 VanDerWaalsContact CE1-CE2 3.49Å; F46-Y50 HydrophobicContact CE2-CE2 4.4Å; F46-Y50 AromaticContact CG-CD2 3.99Å; F46-Y50 HydrophobicContact CG-CD2 3.99Å; F46-Y50 HydrophobicContact CG-CE2 4.25Å; F46-Y50 HydrophobicContact CZ-CD2 4.43Å; F46-Y50 AromaticContact CZ-CE2 3.85Å; F46-Y50 HydrophobicContact CZ-CE2 3.85Å; F46-Y50 PolarHBondContact O-N 3.38Å; Y50-W54 HydrophobicContact CD2-CZ2 4.27Å; Y50-W54 HydrophobicContact CG-CZ2 4.22Å; Y50-K87 PolarHBondContact O-NZ 2.63Å
51N98.1Very high98.2Very high115 Ų11566.5 Ų66.562%0.61532%0.322SS*.  trans65.9147.7-176.3-48.7-70.3000113.5D47 W54 K87D47-N51 CarbonylContact O-C 3.26Å; D47-N51 VanDerWaalsContact O-C 3.26Å; D47-N51 WeakPolarHBondContact O-CA 3.29Å; D47-N51 PolarHBondContact O-N 2.83Å; N51-W54 PolarHBondContact O-NE1 3.32Å; N51-K87 PolarHBondContact O-NZ 3.02Å
52P98.2Very high98.2Very high82 Ų8267.9 Ų67.953%0.53233%0.329SS..SBendtrans-63159.9173.6-20.533.1000113.2D47 K87D47-P52 HydrophobicContact CB-CG 4.25Å; D47-P52 WeakPolarHBondContact O-CD 3.45Å; D47-P52 WeakPolarHBondContact OD1-CA 3.46Å; P52-K87 VanDerWaalsContact C-NZ 3.31Å; P52-K87 PolarHBondContact O-NZ 2.84Å
53T97.9Very high98Very high56 Ų5671.5 Ų71.534%0.34437%0.367SS..  cis-115113.84.9-55.20000111.9K87 S88T53-K87 WeakPolarHBondContact O-CA 3.35Å; T53-K87 WeakPolarHBondContact O-CG 3.23Å; T53-S88 PolarHBondContact O-N 3.13Å
54W98.8Very high97.9Very high0 Ų071.4 Ų71.40%037%0.374CS..EExtended strand (participates in β ladder)trans-89.4151.5173.1-69.183.1000111.8M13 M17 K43 F46 D47 Y50 N51 H72 L85 F86 K87M13-W54 HydrophobicContact CE-CH2 3.87Å; M13-W54 HydrophobicContact CE-CZ3 4.06Å; M17-W54 HydrophobicContact SD-CH2 3.79Å; M17-W54 HydrophobicContact SD-CZ2 4.19Å; K43-W54 WeakPolarHBondContact CE-O 3.47Å; K43-W54 HydrophobicContact CG-CB 4.37Å; K43-W54 WeakPolarHBondContact CG-O 3.43Å; K43-W54 PolarHBondContact NZ-O 2.99Å; F46-W54 VanDerWaalsContact C-CD1 3.49Å; F46-W54 HydrophobicContact CB-CB 4.2Å; F46-W54 HydrophobicContact CB-CD2 3.82Å; F46-W54 HydrophobicContact CB-CE3 4.35Å; F46-W54 HydrophobicContact CB-CG 3.73Å; F46-W54 AromaticContact CD1-CD2 3.88Å; F46-W54 HydrophobicContact CD1-CD2 3.88Å; F46-W54 AromaticContact CD1-CE2 3.83Å; F46-W54 AromaticContact CD1-CE3 3.84Å; F46-W54 HydrophobicContact CD1-CE3 3.84Å; F46-W54 AromaticContact CD1-CH2 3.7Å; F46-W54 HydrophobicContact CD1-CH2 3.7Å; F46-W54 AromaticContact CD1-CZ2 3.74Å; F46-W54 HydrophobicContact CD1-CZ2 3.74Å; F46-W54 AromaticContact CD1-CZ3 3.76Å; F46-W54 HydrophobicContact CD1-CZ3 3.76Å; F46-W54 HydrophobicContact CE1-CH2 4.07Å; F46-W54 HydrophobicContact CE1-CZ2 4.41Å; F46-W54 HydrophobicContact CE1-CZ3 4.24Å; F46-W54 HydrophobicContact CG-CD2 4.31Å; F46-W54 HydrophobicContact CG-CE3 4.46Å; F46-W54 PolarHBondContact O-NE1 3.34Å; D47-W54 WeakPolarHBondContact OD1-CB 3.22Å; D47-W54 PolarHBondContact OD1-N 3.39Å; Y50-W54 HydrophobicContact CD2-CZ2 4.27Å; Y50-W54 HydrophobicContact CG-CZ2 4.22Å; N51-W54 PolarHBondContact O-NE1 3.32Å; W54-H72 HydrophobicContact CH2-CB 3.85Å; W54-H72 AromaticContact CH2-CD2 3.9Å; W54-H72 HydrophobicContact CZ2-CB 4.32Å; W54-H72 AromaticContact CZ2-CD2 3.69Å; W54-H72 HydrophobicContact CZ3-CB 4.33Å; W54-L85 HydrophobicContact CB-CD1 4.49Å; W54-L85 HydrophobicContact CE3-CD1 3.73Å; W54-L85 HydrophobicContact CE3-CD2 4.44Å; W54-L85 HydrophobicContact CE3-CG 3.76Å; W54-L85 HydrophobicContact CZ3-CD1 4.41Å; W54-L85 HydrophobicContact CZ3-CD2 4.39Å; W54-L85 HydrophobicContact CZ3-CG 3.94Å; W54-F86 CarbonylContact C-O 3.48Å; W54-F86 WeakPolarHBondContact CA-O 3.42Å; W54-K87 HydrophobicContact CD2-CB 4.06Å; W54-K87 HydrophobicContact CD2-CG 4.39Å; W54-K87 HydrophobicContact CE3-CB 4.15Å; W54-K87 HydrophobicContact CH2-CB 4.46Å; W54-K87 HydrophobicContact CZ2-CB 4.36Å; W54-K87 HydrophobicContact CZ3-CB 4.35Å
55H98.8Very high97.8Very high66 Ų6675.8 Ų75.831%0.30639%0.388SS..EExtended strand (participates in β ladder)trans-128.5135.7176-57.9-88.3000108L85 F86 S88H55-L85 WeakPolarHBondContact O-CA 3.24Å; H55-L85 WeakPolarHBondContact O-CD1 3.33Å; H55-F86 HydrophobicContact CB-CD1 4.05Å; H55-F86 HydrophobicContact CB-CD2 4.35Å; H55-F86 HydrophobicContact CB-CE1 3.57Å; H55-F86 HydrophobicContact CB-CE2 3.91Å; H55-F86 HydrophobicContact CB-CG 4.42Å; H55-F86 HydrophobicContact CB-CZ 3.49Å; H55-F86 VanDerWaalsContact CB-CZ 3.49Å; H55-F86 AromaticContact CD2-CE2 3.8Å; H55-F86 AromaticContact CG-CE2 3.98Å; H55-F86 AromaticContact CG-CZ 3.9Å; H55-F86 PolarHBondContact N-O 2.79Å; H55-F86 PolarHBondContact O-N 3.19Å; H55-S88 PolarHBondContact NE2-O 3.42Å
56C98.8Very high97.7Very high22 Ų2274.7 Ų74.715%0.14939%0.386CS..EExtended strand (participates in β ladder)trans-132.8133.8-179.2-171.20000110.2A39 K43 L84 L85A39-C56 HydrophobicContact CB-CB 4.29Å; A39-C56 WeakPolarHBondContact O-CB 3.46Å; K43-C56 HydrophobicContact CB-CB 4.02Å; C56-L84 CarbonylContact C-O 2.84Å; C56-L84 WeakPolarHBondContact CA-O 3.19Å; C56-L85 HydrophobicContact CB-CD1 3.96Å
57I98.8Very high97.6Very high65 Ų6579.9 Ų79.933%0.33342%0.419SS..EExtended strand (participates in β ladder)trans-124.4131.8174.4-49.3179.2000107.5F62 I83 L84I57-F62 HydrophobicContact CB-CZ 4.49Å; I57-F62 HydrophobicContact CG2-CD1 4.43Å; I57-F62 HydrophobicContact CG2-CD2 4.3Å; I57-F62 HydrophobicContact CG2-CE1 4.27Å; I57-F62 HydrophobicContact CG2-CE2 4.16Å; I57-F62 HydrophobicContact CG2-CG 4.43Å; I57-F62 HydrophobicContact CG2-CZ 4.14Å; I57-I83 WeakPolarHBondContact O-CA 3.42Å; I57-L84 HydrophobicContact CB-CB 4.19Å; I57-L84 HydrophobicContact CD1-CD2 3.82Å; I57-L84 HydrophobicContact CG1-CD2 4.43Å; I57-L84 PolarHBondContact N-O 2.76Å; I57-L84 PolarHBondContact O-N 2.73Å
58V98.6Very high97.6Very high15 Ų1581.7 Ų81.79%0.09143%0.426CS..EExtended strand (participates in β ladder)trans-128.6130.8177.6179.70000107.8E35 I38 A39 V81 A82 I83E35-V58 HydrophobicContact CB-CB 4.15Å; E35-V58 HydrophobicContact CB-CG1 4Å; E35-V58 WeakPolarHBondContact CB-O 3.48Å; E35-V58 HydrophobicContact CG-CG1 3.99Å; I38-V58 HydrophobicContact CG2-CG1 4.3Å; I38-V58 HydrophobicContact CG2-CG2 4.06Å; A39-V58 HydrophobicContact CB-CB 4.25Å; A39-V58 HydrophobicContact CB-CG2 3.76Å; V58-V81 HydrophobicContact CG1-CG1 3.44Å; V58-V81 VanDerWaalsContact CG1-CG1 3.44Å; V58-A82 WeakPolarHBondContact CA-O 3.15Å; V58-I83 HydrophobicContact CG1-CG1 4.45Å; V58-I83 HydrophobicContact CG2-CG1 4.12Å
59G97.7Very high97.5Very high11 Ų1176.8 Ų76.811%0.11341%0.406CS..EExtended strand (participates in β ladder)trans-178.5160.5-179.600000113.5A82G59-A82 PolarHBondContact N-O 2.99Å; G59-A82 WeakPolarHBondContact O-CB 3.45Å; G59-A82 PolarHBondContact O-N 3.33Å
60R96.3Very high97.5Very high146 Ų14676.3 Ų76.355%0.55141%0.413SS*.SBendtrans-83.2-32.8177.2-60.8-174.9-171.2-164.81.7112.7V81R60-V81 HydrophobicContact CG-CG2 4.3Å
61N94.8Very high97.5Very high158 Ų15881.3 Ų81.385%0.84544%0.435SS*.SBendtrans-139.7104.1-176.5-62.4-54.3000109.8
62F97.2Very high97.5Very high61 Ų6178 Ų7827%0.26842%0.416SS..  trans-154.8156.4170.767.1-91.4000110.9I57 Y75 A82 L84I57-F62 HydrophobicContact CB-CZ 4.49Å; I57-F62 HydrophobicContact CG2-CD1 4.43Å; I57-F62 HydrophobicContact CG2-CD2 4.3Å; I57-F62 HydrophobicContact CG2-CE1 4.27Å; I57-F62 HydrophobicContact CG2-CE2 4.16Å; I57-F62 HydrophobicContact CG2-CG 4.43Å; I57-F62 HydrophobicContact CG2-CZ 4.14Å; F62-Y75 HydrophobicContact CE2-CE2 4.25Å; F62-Y75 AromaticContact CZ-CE2 3.94Å; F62-Y75 HydrophobicContact CZ-CE2 3.94Å; F62-A82 HydrophobicContact CE1-CB 3.64Å; F62-A82 HydrophobicContact CZ-CB 3.99Å; F62-L84 HydrophobicContact CE2-CB 4.11Å; F62-L84 HydrophobicContact CZ-CB 4.09Å
63G95.5Very high97.5Very high77 Ų7775.1 Ų75.179%0.79440%0.395SS*.  trans-118.6148.6163.200000109.1
64S95.8Very high97.6Very high58 Ų5872.5 Ų72.541%0.40638%0.379SS..  trans-139.9140.3-178.460.10000110.9L84S64-L84 VanDerWaalsContact OG-CD2 3.31Å; S64-L84 WeakPolarHBondContact OG-CD2 3.49Å
65Y97.1Very high97.6Very high232 Ų23274.8 Ų74.891%0.9139%0.388SS*.  trans-126.3108.4167.3-168.4-86.7000107.3
66V96.2Very high97.5Very high50 Ų5071.7 Ų71.730%0.30337%0.373SS..  trans-133.8150.4-172.6-59.40000110.4F73 L84 F86V66-F73 HydrophobicContact CG2-CE2 4.24Å; V66-L84 HydrophobicContact CG2-CD2 4.41Å; V66-F86 HydrophobicContact CB-CE1 4.32Å; V66-F86 HydrophobicContact CB-CE2 4.05Å; V66-F86 HydrophobicContact CB-CZ 3.9Å; V66-F86 HydrophobicContact CG1-CE1 4.05Å; V66-F86 HydrophobicContact CG1-CE2 4.43Å; V66-F86 HydrophobicContact CG1-CZ 3.79Å; V66-F86 HydrophobicContact CG2-CD1 4.22Å; V66-F86 HydrophobicContact CG2-CD2 4.31Å; V66-F86 HydrophobicContact CG2-CE1 4.14Å; V66-F86 HydrophobicContact CG2-CE2 4.24Å; V66-F86 HydrophobicContact CG2-CG 4.3Å; V66-F86 HydrophobicContact CG2-CZ 4.16Å
67T97.1Very high97.5Very high114 Ų11473.8 Ų73.870%0.69938%0.379SS*.  trans-96142.5165.2-53.20000108.2
68H97.9Very high97.4Very high66 Ų6670.9 Ų70.931%0.30636%0.364SS..  trans-139.2160.7179.36269.5000111D12 F73 F86 K87D12-H68 IonicContact OD2-CE1 3.9Å; H68-F73 HydrophobicContact CB-CB 4.48Å; H68-F73 HydrophobicContact CB-CD2 4.3Å; H68-F73 AromaticContact CD2-CD2 3.13Å; H68-F73 WeakPolarHBondContact CD2-CD2 3.23Å; H68-F73 AromaticContact CD2-CE2 3.81Å; H68-F73 AromaticContact CD2-CG 3.55Å; H68-F73 AromaticContact CG-CD2 3.8Å; H68-F73 AromaticContact NE2-CD2 3.67Å; H68-F73 AromaticContact NE2-CG 3.62Å; H68-F86 HydrophobicContact CB-CB 3.96Å; H68-F86 HydrophobicContact CB-CD2 3.95Å; H68-F86 HydrophobicContact CB-CG 4.36Å; H68-K87 CarbonylContact C-O 3.55Å; H68-K87 VanDerWaalsContact CA-O 3.29Å; H68-K87 WeakPolarHBondContact CA-O 3.46Å
69E97.9Very high97.1Very high62 Ų6272.5 Ų72.529%0.2938%0.384SS..  trans-68.1148.6168.4-68.6170.5-128.800110.8H72 K87 G89E69-H72 PolarHBondContact O-N 2.88Å; E69-K87 PolarHBondContact N-O 2.88Å; E69-K87 WeakPolarHBondContact OE1-CE 3.33Å; E69-K87 WeakPolarHBondContact OE1-CG 3.4Å; E69-K87 VanDerWaalsContact OE2-CD 3.23Å; E69-K87 WeakPolarHBondContact OE2-CD 3.34Å; E69-K87 WeakPolarHBondContact OE2-CE 3.48Å; E69-G89 PolarHBondContact OE1-N 2.98Å
70T97.4Very high96.9Very high108 Ų10879.1 Ų79.166%0.66341%0.412SS*.THydrogen-bonded Turntrans-60.8142.3176.9-40.10000110.5H72T70-H72 PolarHBondContact O-N 3.48Å; T70-H72 PolarHBondContact O-ND1 3.03Å
71K98.3Very high96.9Very high143 Ų14373.3 Ų73.362%0.62239%0.392SS*.THydrogen-bonded Turntrans64.617178.7-54-174177.4179.20115.7D12 M13D12-K71 VanDerWaalsContact CG-N 3.32Å; D12-K71 CarbonylContact O-C 3.58Å; D12-K71 WeakPolarHBondContact O-CA 3.38Å; D12-K71 PolarHBondContact OD1-N 3.47Å; D12-K71 PolarHBondContact OD2-N 3.19Å; M13-K71 WeakPolarHBondContact CA-O 3.1Å; M13-K71 VanDerWaalsContact CB-O 3.29Å; M13-K71 WeakPolarHBondContact CB-O 3.41Å
72H98.6Very high97Very high47 Ų4765.8 Ų65.822%0.21835%0.352CS..  trans-13548.9-179.7-58.692.1000112.6D12 W54 E69 T70 F86 K87D12-H72 PolarHBondContact O-N 2.97Å; W54-H72 HydrophobicContact CH2-CB 3.85Å; W54-H72 AromaticContact CH2-CD2 3.9Å; W54-H72 HydrophobicContact CZ2-CB 4.32Å; W54-H72 AromaticContact CZ2-CD2 3.69Å; W54-H72 HydrophobicContact CZ3-CB 4.33Å; E69-H72 PolarHBondContact O-N 2.88Å; T70-H72 PolarHBondContact O-N 3.48Å; T70-H72 PolarHBondContact O-ND1 3.03Å; H72-F86 CarbonylContact O-C 3.59Å; H72-F86 WeakPolarHBondContact O-CA 3.45Å; H72-K87 HydrophobicContact CB-CB 3.43Å; H72-K87 VanDerWaalsContact CB-CB 3.43Å; H72-K87 HydrophobicContact CB-CD 4.13Å; H72-K87 HydrophobicContact CB-CG 4.45Å; H72-K87 PolarHBondContact O-N 3.39Å
73F98.7Very high97.1Very high21 Ų2162.9 Ų62.99%0.09234%0.34CS..EExtended strand (participates in β ladder)trans-139.1135.2179175.8-86.2000112N10 A11 D12 V66 H68 L84 F86N10-F73 HydrophobicContact CB-CE1 4.17Å; A11-F73 CarbonylContact C-O 3.53Å; A11-F73 WeakPolarHBondContact CA-O 3.23Å; D12-F73 CarbonylContact C-O 3.55Å; D12-F73 HydrophobicContact CB-CB 4.32Å; D12-F73 PolarHBondContact N-O 3.31Å; D12-F73 PolarHBondContact O-N 3.01Å; V66-F73 HydrophobicContact CG2-CE2 4.24Å; H68-F73 HydrophobicContact CB-CB 4.48Å; H68-F73 HydrophobicContact CB-CD2 4.3Å; H68-F73 AromaticContact CD2-CD2 3.13Å; H68-F73 WeakPolarHBondContact CD2-CD2 3.23Å; H68-F73 AromaticContact CD2-CE2 3.81Å; H68-F73 AromaticContact CD2-CG 3.55Å; H68-F73 AromaticContact CG-CD2 3.8Å; H68-F73 AromaticContact NE2-CD2 3.67Å; H68-F73 AromaticContact NE2-CG 3.62Å; F73-L84 HydrophobicContact CD2-CD1 4.46Å; F73-L84 HydrophobicContact CE2-CD1 3.51Å; F73-L84 HydrophobicContact CZ-CD1 3.59Å; F73-F86 HydrophobicContact CB-CB 4.49Å; F73-F86 HydrophobicContact CD2-CB 3.7Å; F73-F86 HydrophobicContact CE2-CB 4.48Å
74I98.8Very high97.3Very high0 Ų059.3 Ų59.30%030%0.302CS..EExtended strand (participates in β ladder)trans-146.7139.3169.5-168.2-179.9000111.5I8 A11 M13 Q18 A21 F76 L85I8-I74 HydrophobicContact CG2-CG1 4.45Å; A11-I74 HydrophobicContact CB-CG1 4.08Å; M13-I74 HydrophobicContact CE-CB 4.25Å; M13-I74 HydrophobicContact CE-CG2 4.09Å; M13-I74 HydrophobicContact CG-CB 4.42Å; M13-I74 HydrophobicContact SD-CB 3.81Å; M13-I74 HydrophobicContact SD-CD1 4.29Å; M13-I74 HydrophobicContact SD-CG2 4.01Å; Q18-I74 HydrophobicContact CB-CD1 3.92Å; Q18-I74 HydrophobicContact CG-CD1 3.91Å; A21-I74 HydrophobicContact CB-CD1 4.25Å; A21-I74 HydrophobicContact CB-CG2 4.1Å; I74-F76 HydrophobicContact CD1-CD1 3.79Å; I74-F76 HydrophobicContact CD1-CE1 4.23Å; I74-F76 HydrophobicContact CD1-CG 4.47Å; I74-F76 HydrophobicContact CG1-CD1 3.88Å; I74-F76 HydrophobicContact CG2-CD1 4.31Å; I74-F76 HydrophobicContact CG2-CE1 4.28Å; I74-L85 HydrophobicContact CG2-CB 3.81Å; I74-L85 HydrophobicContact CG2-CD2 4.24Å; I74-L85 HydrophobicContact CG2-CG 4.39Å; I74-L85 PolarHBondContact N-O 2.77Å; I74-L85 PolarHBondContact O-N 3.39Å
75Y98.7Very high97.4Very high49 Ų4956.6 Ų56.619%0.19228%0.283CS..EExtended strand (participates in β ladder)trans-129.3119.1170.8178.6-121.5000110K9 N10 F62 Y77 A82 I83 L84K9-Y75 HydrophobicContact CB-CD1 3.51Å; K9-Y75 HydrophobicContact CB-CE1 3.84Å; K9-Y75 HydrophobicContact CB-CG 4.46Å; K9-Y75 HydrophobicContact CG-CD1 4.19Å; K9-Y75 HydrophobicContact CG-CE1 4.07Å; K9-Y75 PolarHBondContact N-O 3.1Å; N10-Y75 PolarHBondContact N-O 3.36Å; N10-Y75 VanDerWaalsContact N-O 3.1Å; N10-Y75 PolarHBondContact O-N 3.15Å; F62-Y75 HydrophobicContact CE2-CE2 4.25Å; F62-Y75 AromaticContact CZ-CE2 3.94Å; F62-Y75 HydrophobicContact CZ-CE2 3.94Å; Y75-Y77 HydrophobicContact CE1-CE2 4.1Å; Y75-Y77 AromaticContact CZ-CE2 3.76Å; Y75-Y77 VanDerWaalsContact OH-CE2 3.29Å; Y75-Y77 WeakPolarHBondContact OH-CE2 3.38Å; Y75-Y77 PolarHBondContact OH-OH 2.97Å; Y75-Y77 VanDerWaalsContact OH-OH 3.09Å; Y75-A82 HydrophobicContact CE2-CB 3.89Å; Y75-I83 WeakPolarHBondContact CA-O 3.4Å; Y75-I83 WeakPolarHBondContact CD2-O 3.43Å; Y75-L84 HydrophobicContact CD2-CB 4.14Å; Y75-L84 HydrophobicContact CD2-CD1 4.03Å; Y75-L84 HydrophobicContact CG-CD1 4.29Å
76F98.5Very high97.5Very high0 Ų046.4 Ų46.40%024%0.244CC..EExtended strand (participates in β ladder)trans-148.4164.7-17669-80.1000112.3A6 V7 I8 A21 V22 T25 I74 L78 I83A6-F76 HydrophobicContact CB-CD2 4.42Å; V7-F76 CarbonylContact O-C 3.55Å; V7-F76 VanDerWaalsContact O-CA 3.29Å; V7-F76 WeakPolarHBondContact O-CA 3.29Å; V7-F76 WeakPolarHBondContact O-CB 3.33Å; I8-F76 HydrophobicContact CB-CB 4.44Å; I8-F76 HydrophobicContact CG1-CB 4.22Å; A21-F76 HydrophobicContact CB-CE1 4.37Å; V22-F76 HydrophobicContact CG2-CD2 4.14Å; V22-F76 HydrophobicContact CG2-CE2 3.95Å; V22-F76 HydrophobicContact CG2-CZ 4.34Å; T25-F76 HydrophobicContact CG2-CE2 4.47Å; T25-F76 HydrophobicContact CG2-CZ 4.26Å; I74-F76 HydrophobicContact CD1-CD1 3.79Å; I74-F76 HydrophobicContact CD1-CE1 4.23Å; I74-F76 HydrophobicContact CD1-CG 4.47Å; I74-F76 HydrophobicContact CG1-CD1 3.88Å; I74-F76 HydrophobicContact CG2-CD1 4.31Å; I74-F76 HydrophobicContact CG2-CE1 4.28Å; F76-L78 HydrophobicContact CD2-CG 4.2Å; F76-L78 HydrophobicContact CE2-CD1 3.81Å; F76-L78 HydrophobicContact CE2-CG 3.83Å; F76-I83 HydrophobicContact CD1-CB 4.15Å; F76-I83 HydrophobicContact CD1-CG2 4.35Å; F76-I83 HydrophobicContact CD2-CD1 4.34Å; F76-I83 HydrophobicContact CE1-CB 3.75Å; F76-I83 HydrophobicContact CE1-CG2 3.59Å; F76-I83 HydrophobicContact CE2-CB 4.26Å; F76-I83 HydrophobicContact CE2-CD1 3.94Å; F76-I83 HydrophobicContact CE2-CG1 4.47Å; F76-I83 HydrophobicContact CZ-CB 3.81Å; F76-I83 HydrophobicContact CZ-CD1 4.26Å; F76-I83 HydrophobicContact CZ-CG1 4.29Å; F76-I83 HydrophobicContact CZ-CG2 3.8Å; F76-I83 PolarHBondContact N-O 3.13Å; F76-I83 PolarHBondContact O-N 3.38Å
77Y97.9Very high97.6Very high67 Ų6744.9 Ų44.926%0.26323%0.233SC..EExtended strand (participates in β ladder)trans-111138.9174-80.3-101.9000111A6 V7 K9 Y75 V81 A82A6-Y77 CarbonylContact C-O 3.56Å; A6-Y77 WeakPolarHBondContact CA-O 3.46Å; V7-Y77 PolarHBondContact N-O 2.86Å; V7-Y77 PolarHBondContact O-N 2.85Å; K9-Y77 HydrophobicContact CD-CD2 4.49Å; K9-Y77 HydrophobicContact CG-CD2 3.75Å; K9-Y77 HydrophobicContact CG-CE2 4.01Å; Y75-Y77 HydrophobicContact CE1-CE2 4.1Å; Y75-Y77 AromaticContact CZ-CE2 3.76Å; Y75-Y77 VanDerWaalsContact OH-CE2 3.29Å; Y75-Y77 WeakPolarHBondContact OH-CE2 3.38Å; Y75-Y77 PolarHBondContact OH-OH 2.97Å; Y75-Y77 VanDerWaalsContact OH-OH 3.09Å; Y77-V81 WeakPolarHBondContact CA-O 3.05Å; Y77-A82 HydrophobicContact CD1-CB 3.99Å; Y77-A82 HydrophobicContact CD2-CB 4.36Å; Y77-A82 HydrophobicContact CE1-CB 3.6Å; Y77-A82 HydrophobicContact CE2-CB 4Å; Y77-A82 HydrophobicContact CG-CB 4.36Å
78L95.9Very high97.6Very high3 Ų341.7 Ų41.72%0.01622%0.215CC..EExtended strand (participates in β ladder)trans-115.3101.1162-81.1171.1000108.7K4 A6 T25 M26 M29 F76 Q80 V81 I83K4-L78 HydrophobicContact CB-CD2 4.46Å; K4-L78 VanDerWaalsContact O-CD2 3.23Å; K4-L78 WeakPolarHBondContact O-CD2 3.41Å; A6-L78 HydrophobicContact CB-CD2 3.8Å; T25-L78 HydrophobicContact CG2-CD1 3.52Å; M26-L78 HydrophobicContact CE-CD2 3.72Å; M26-L78 HydrophobicContact CG-CD1 4.08Å; M26-L78 HydrophobicContact CG-CD2 4.25Å; M29-L78 HydrophobicContact CE-CB 4.08Å; M29-L78 HydrophobicContact CE-CD1 4.28Å; M29-L78 HydrophobicContact SD-CB 4.16Å; M29-L78 HydrophobicContact SD-CD1 4.22Å; F76-L78 HydrophobicContact CD2-CG 4.2Å; F76-L78 HydrophobicContact CE2-CD1 3.81Å; F76-L78 HydrophobicContact CE2-CG 3.83Å; L78-Q80 PolarHBondContact O-N 3.19Å; L78-V81 PolarHBondContact N-O 2.84Å; L78-V81 PolarHBondContact O-N 3.07Å; L78-I83 HydrophobicContact CB-CD1 4.14Å; L78-I83 HydrophobicContact CD1-CD1 4.31Å; L78-I83 HydrophobicContact CG-CD1 4.38Å
79G92.9Very high97.3Very high49 Ų4944 Ų4451%0.50526%0.257SS..THydrogen-bonded Turntrans62.6-119.7-168.900000111.1
80Q93.1Very high97.3Very high151 Ų15143.2 Ų43.271%0.70626%0.256SS*.THydrogen-bonded Turntrans-96.62.9-179.4-62.5-177.80.100113.7L78L78-Q80 PolarHBondContact O-N 3.19Å
81V96.2Very high97.3Very high23 Ų2339.7 Ų39.714%0.13923%0.234CC..EExtended strand (participates in β ladder)trans-104.5125.5-178.1-177.10000108.5M29 V58 R60 Y77 L78 I83M29-V81 HydrophobicContact CE-CB 3.88Å; M29-V81 HydrophobicContact CE-CG1 3.77Å; M29-V81 HydrophobicContact CE-CG2 4.48Å; V58-V81 HydrophobicContact CG1-CG1 3.44Å; V58-V81 VanDerWaalsContact CG1-CG1 3.44Å; R60-V81 HydrophobicContact CG-CG2 4.3Å; Y77-V81 WeakPolarHBondContact CA-O 3.05Å; L78-V81 PolarHBondContact N-O 2.84Å; L78-V81 PolarHBondContact O-N 3.07Å; V81-I83 HydrophobicContact CG1-CD1 4.44Å; V81-I83 WeakPolarHBondContact O-CD1 2.96Å
82A98.1Very high97.2Very high1 Ų134 Ų341%0.00821%0.213CC..EExtended strand (participates in β ladder)trans-90.1143.917400000110.3V58 G59 F62 Y75 Y77V58-A82 WeakPolarHBondContact CA-O 3.15Å; G59-A82 PolarHBondContact N-O 2.99Å; G59-A82 WeakPolarHBondContact O-CB 3.45Å; G59-A82 PolarHBondContact O-N 3.33Å; F62-A82 HydrophobicContact CE1-CB 3.64Å; F62-A82 HydrophobicContact CZ-CB 3.99Å; Y75-A82 HydrophobicContact CE2-CB 3.89Å; Y77-A82 HydrophobicContact CD1-CB 3.99Å; Y77-A82 HydrophobicContact CD2-CB 4.36Å; Y77-A82 HydrophobicContact CE1-CB 3.6Å; Y77-A82 HydrophobicContact CE2-CB 4Å; Y77-A82 HydrophobicContact CG-CB 4.36Å
83I98.6Very high97.1Very high0 Ų033.2 Ų33.20%021%0.213CC..EExtended strand (participates in β ladder)trans-127.7124.2178-61.996.4000107.9T25 M29 I57 V58 Y75 F76 L78 V81T25-I83 HydrophobicContact CG2-CD1 3.86Å; T25-I83 HydrophobicContact CG2-CG1 3.76Å; M29-I83 HydrophobicContact CE-CD1 3.85Å; M29-I83 HydrophobicContact CE-CG1 4.48Å; I57-I83 WeakPolarHBondContact O-CA 3.42Å; V58-I83 HydrophobicContact CG1-CG1 4.45Å; V58-I83 HydrophobicContact CG2-CG1 4.12Å; Y75-I83 WeakPolarHBondContact CA-O 3.4Å; Y75-I83 WeakPolarHBondContact CD2-O 3.43Å; F76-I83 HydrophobicContact CD1-CB 4.15Å; F76-I83 HydrophobicContact CD1-CG2 4.35Å; F76-I83 HydrophobicContact CD2-CD1 4.34Å; F76-I83 HydrophobicContact CE1-CB 3.75Å; F76-I83 HydrophobicContact CE1-CG2 3.59Å; F76-I83 HydrophobicContact CE2-CB 4.26Å; F76-I83 HydrophobicContact CE2-CD1 3.94Å; F76-I83 HydrophobicContact CE2-CG1 4.47Å; F76-I83 HydrophobicContact CZ-CB 3.81Å; F76-I83 HydrophobicContact CZ-CD1 4.26Å; F76-I83 HydrophobicContact CZ-CG1 4.29Å; F76-I83 HydrophobicContact CZ-CG2 3.8Å; F76-I83 PolarHBondContact N-O 3.13Å; F76-I83 PolarHBondContact O-N 3.38Å; L78-I83 HydrophobicContact CB-CD1 4.14Å; L78-I83 HydrophobicContact CD1-CD1 4.31Å; L78-I83 HydrophobicContact CG-CD1 4.38Å; V81-I83 HydrophobicContact CG1-CD1 4.44Å; V81-I83 WeakPolarHBondContact O-CD1 2.96Å
84L98.8Very high97Very high2 Ų234 Ų341%0.0122%0.22CC..EExtended strand (participates in β ladder)trans-112.6122.2169-178.472.3000107.8C56 I57 F62 S64 V66 F73 Y75 F86C56-L84 CarbonylContact C-O 2.84Å; C56-L84 WeakPolarHBondContact CA-O 3.19Å; I57-L84 HydrophobicContact CB-CB 4.19Å; I57-L84 HydrophobicContact CD1-CD2 3.82Å; I57-L84 HydrophobicContact CG1-CD2 4.43Å; I57-L84 PolarHBondContact N-O 2.76Å; I57-L84 PolarHBondContact O-N 2.73Å; F62-L84 HydrophobicContact CE2-CB 4.11Å; F62-L84 HydrophobicContact CZ-CB 4.09Å; S64-L84 VanDerWaalsContact OG-CD2 3.31Å; S64-L84 WeakPolarHBondContact OG-CD2 3.49Å; V66-L84 HydrophobicContact CG2-CD2 4.41Å; F73-L84 HydrophobicContact CD2-CD1 4.46Å; F73-L84 HydrophobicContact CE2-CD1 3.51Å; F73-L84 HydrophobicContact CZ-CD1 3.59Å; Y75-L84 HydrophobicContact CD2-CB 4.14Å; Y75-L84 HydrophobicContact CD2-CD1 4.03Å; Y75-L84 HydrophobicContact CG-CD1 4.29Å; L84-F86 HydrophobicContact CD2-CD1 4.14Å; L84-F86 HydrophobicContact CD2-CE1 4.11Å; L84-F86 HydrophobicContact CG-CD1 4.07Å; L84-F86 HydrophobicContact CG-CE1 4.48Å
85L98.9Very high96.9Very high0 Ų036.3 Ų36.30%024%0.235CC..EExtended strand (participates in β ladder)trans-131.7124179.1175.766.9000108.5A21 V42 F46 W54 H55 C56 I74A21-L85 HydrophobicContact CB-CD2 3.99Å; V42-L85 HydrophobicContact CG1-CD1 4.15Å; V42-L85 HydrophobicContact CG1-CD2 3.93Å; F46-L85 HydrophobicContact CD1-CD2 3.7Å; F46-L85 HydrophobicContact CD1-CG 4.44Å; F46-L85 HydrophobicContact CD2-CD2 3.91Å; F46-L85 HydrophobicContact CE1-CD2 3.63Å; F46-L85 HydrophobicContact CE2-CD2 3.86Å; F46-L85 HydrophobicContact CG-CD1 4.44Å; F46-L85 HydrophobicContact CG-CD2 3.85Å; F46-L85 HydrophobicContact CZ-CD2 3.74Å; W54-L85 HydrophobicContact CB-CD1 4.49Å; W54-L85 HydrophobicContact CE3-CD1 3.73Å; W54-L85 HydrophobicContact CE3-CD2 4.44Å; W54-L85 HydrophobicContact CE3-CG 3.76Å; W54-L85 HydrophobicContact CZ3-CD1 4.41Å; W54-L85 HydrophobicContact CZ3-CD2 4.39Å; W54-L85 HydrophobicContact CZ3-CG 3.94Å; H55-L85 WeakPolarHBondContact O-CA 3.24Å; H55-L85 WeakPolarHBondContact O-CD1 3.33Å; C56-L85 HydrophobicContact CB-CD1 3.96Å; I74-L85 HydrophobicContact CG2-CB 3.81Å; I74-L85 HydrophobicContact CG2-CD2 4.24Å; I74-L85 HydrophobicContact CG2-CG 4.39Å; I74-L85 PolarHBondContact N-O 2.77Å; I74-L85 PolarHBondContact O-N 3.39Å
86F98.8Very high96.8Very high19 Ų1935.4 Ų35.48%0.08324%0.238CC..EExtended strand (participates in β ladder)trans-150.9155.2-177.868.7-81.3000112.1W54 H55 V66 H68 H72 F73 L84W54-F86 CarbonylContact C-O 3.48Å; W54-F86 WeakPolarHBondContact CA-O 3.42Å; H55-F86 HydrophobicContact CB-CD1 4.05Å; H55-F86 HydrophobicContact CB-CD2 4.35Å; H55-F86 HydrophobicContact CB-CE1 3.57Å; H55-F86 HydrophobicContact CB-CE2 3.91Å; H55-F86 HydrophobicContact CB-CG 4.42Å; H55-F86 HydrophobicContact CB-CZ 3.49Å; H55-F86 VanDerWaalsContact CB-CZ 3.49Å; H55-F86 AromaticContact CD2-CE2 3.8Å; H55-F86 AromaticContact CG-CE2 3.98Å; H55-F86 AromaticContact CG-CZ 3.9Å; H55-F86 PolarHBondContact N-O 2.79Å; H55-F86 PolarHBondContact O-N 3.19Å; V66-F86 HydrophobicContact CB-CE1 4.32Å; V66-F86 HydrophobicContact CB-CE2 4.05Å; V66-F86 HydrophobicContact CB-CZ 3.9Å; V66-F86 HydrophobicContact CG1-CE1 4.05Å; V66-F86 HydrophobicContact CG1-CE2 4.43Å; V66-F86 HydrophobicContact CG1-CZ 3.79Å; V66-F86 HydrophobicContact CG2-CD1 4.22Å; V66-F86 HydrophobicContact CG2-CD2 4.31Å; V66-F86 HydrophobicContact CG2-CE1 4.14Å; V66-F86 HydrophobicContact CG2-CE2 4.24Å; V66-F86 HydrophobicContact CG2-CG 4.3Å; V66-F86 HydrophobicContact CG2-CZ 4.16Å; H68-F86 HydrophobicContact CB-CB 3.96Å; H68-F86 HydrophobicContact CB-CD2 3.95Å; H68-F86 HydrophobicContact CB-CG 4.36Å; H72-F86 CarbonylContact O-C 3.59Å; H72-F86 WeakPolarHBondContact O-CA 3.45Å; F73-F86 HydrophobicContact CB-CB 4.49Å; F73-F86 HydrophobicContact CD2-CB 3.7Å; F73-F86 HydrophobicContact CE2-CB 4.48Å; L84-F86 HydrophobicContact CD2-CD1 4.14Å; L84-F86 HydrophobicContact CD2-CE1 4.11Å; L84-F86 HydrophobicContact CG-CD1 4.07Å; L84-F86 HydrophobicContact CG-CE1 4.48Å
87K98.7Very high96.7Very high17 Ų1738.1 Ų38.17%0.07426%0.256CS..EExtended strand (participates in β ladder)trans-101.9135.3175.2-164.3-168.5168.890.30110.5Y50 N51 P52 T53 W54 H68 E69 H72Y50-K87 PolarHBondContact O-NZ 2.63Å; N51-K87 PolarHBondContact O-NZ 3.02Å; P52-K87 VanDerWaalsContact C-NZ 3.31Å; P52-K87 PolarHBondContact O-NZ 2.84Å; T53-K87 WeakPolarHBondContact O-CA 3.35Å; T53-K87 WeakPolarHBondContact O-CG 3.23Å; W54-K87 HydrophobicContact CD2-CB 4.06Å; W54-K87 HydrophobicContact CD2-CG 4.39Å; W54-K87 HydrophobicContact CE3-CB 4.15Å; W54-K87 HydrophobicContact CH2-CB 4.46Å; W54-K87 HydrophobicContact CZ2-CB 4.36Å; W54-K87 HydrophobicContact CZ3-CB 4.35Å; H68-K87 CarbonylContact C-O 3.55Å; H68-K87 VanDerWaalsContact CA-O 3.29Å; H68-K87 WeakPolarHBondContact CA-O 3.46Å; E69-K87 PolarHBondContact N-O 2.88Å; E69-K87 WeakPolarHBondContact OE1-CE 3.33Å; E69-K87 WeakPolarHBondContact OE1-CG 3.4Å; E69-K87 VanDerWaalsContact OE2-CD 3.23Å; E69-K87 WeakPolarHBondContact OE2-CD 3.34Å; 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 4.13Å; H72-K87 HydrophobicContact CB-CG 4.45Å; H72-K87 PolarHBondContact O-N 3.39Å
88S97.3Very high96.6Very high47 Ų4735.7 Ų35.733%0.32926%0.256SS..  trans-160117.5174.7177.90000109.2T53 H55T53-S88 PolarHBondContact O-N 3.13Å; H55-S88 PolarHBondContact NE2-O 3.42Å
89G91.3Very high96.6Very high116 Ų11638.6 Ų38.6100%1.19628%0.277SS*.  trans173.80173.200000113.1E69E69-G89 PolarHBondContact OE1-N 2.98Å

Retrieved 89 of 89 residues in 168.1 ms (Link to these results)

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