A0A3Q0KTP8_SCHMA Loading...

Dynein light chain

AlphaFold DB , UniProt , Accession A0A3Q0KTP8, Species SCHMA (Schistosoma mansoni, Blood fluke), 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
1M52.6Low85.3Confident156 Ų15696.6 Ų96.677%0.76849%0.494SS*.  0114.20-70.3-168.4-75.500106.7Y23 D30M1-Y23 HydrophobicContact CE-CE2 3.82Å; M1-Y23 HydrophobicContact SD-CE2 3.74Å; M1-D30 WeakPolarHBondContact CA-OD2 3.48Å
2S60.3Low86.3Confident64 Ų6492.9 Ų92.945%0.44848%0.476SS..  trans-66.4129.4165.938.40000107.6R4 D30S2-R4 VanDerWaalsContact C-N 3.26Å; S2-R4 PolarHBondContact O-N 3.48Å; S2-R4 PolarHBondContact OG-NH1 3.44Å; S2-D30 PolarHBondContact OG-OD1 3.15Å
3E67.1Low87.2Confident201 Ų20187 Ų8794%0.93945%0.446SS*.  trans-68.988.9171.5-73.6-174.4164.900108.6K5E3-K5 PolarHBondContact O-N 2.86Å
4R85.2Confident87.9Confident46 Ų4690.6 Ų90.617%0.17446%0.46CS..  trans-71124.3170.8-69.7-174.2-177763.2108.7S2 A6 S26 D30 L78 D79S2-R4 VanDerWaalsContact C-N 3.26Å; S2-R4 PolarHBondContact O-N 3.48Å; S2-R4 PolarHBondContact OG-NH1 3.44Å; R4-A6 PolarHBondContact O-N 3.45Å; R4-A6 VanDerWaalsContact O-N 3.15Å; R4-S26 PolarHBondContact NH1-O 2.86Å; R4-S26 PolarHBondContact NH1-OG 3.18Å; R4-S26 VanDerWaalsContact NH1-OG 3.17Å; R4-D30 IonicContact CZ-OD1 2.66Å; R4-D30 IonicContact NH1-OD1 2.74Å; R4-D30 PolarHBondContact NH1-OD1 3.42Å; R4-D30 IonicContact NH1-OD2 2.69Å; R4-D30 IonicContact NH2-OD1 2.84Å; R4-D30 PolarHBondContact NH2-OD1 2.96Å; R4-L78 HydrophobicContact CB-CD2 3.85Å; R4-D79 WeakPolarHBondContact CD-OD2 3.38Å; R4-D79 IonicContact NE-OD2 2.73Å; R4-D79 PolarHBondContact NE-OD2 3.12Å
5K90Very high88.5Confident174 Ų17498.3 Ų98.376%0.75748%0.481SS*.  trans-73.2108.2176.6-175.1178.2-179.7178.30109.6E3E3-K5 PolarHBondContact O-N 2.86Å
6A95.5Very high89.1Confident33 Ų3397.9 Ų97.927%0.27349%0.486SS..EExtended strand (participates in β ladder)trans-72.8136.9173.200000111.7R4 V22 Y77 L78R4-A6 PolarHBondContact O-N 3.45Å; R4-A6 VanDerWaalsContact O-N 3.15Å; A6-V22 HydrophobicContact CB-CB 4.34Å; A6-V22 HydrophobicContact CB-CG1 3.59Å; A6-V22 HydrophobicContact CB-CG2 3.73Å; A6-Y77 WeakPolarHBondContact CA-O 3.36Å; A6-L78 HydrophobicContact CB-CD2 3.76Å
7V97.2Very high89.6Confident63 Ų6393.6 Ų93.638%0.38247%0.467SS..EExtended strand (participates in β ladder)trans-117.696.6169.6-1780000108.3K9 F76 Y77V7-K9 HydrophobicContact CG1-CD 4.26Å; V7-K9 PolarHBondContact O-N 2.85Å; V7-F76 CarbonylContact O-C 3.56Å; V7-F76 VanDerWaalsContact O-CA 3.3Å; V7-F76 WeakPolarHBondContact O-CA 3.21Å; V7-Y77 PolarHBondContact N-O 3.41Å; V7-Y77 PolarHBondContact O-N 3.23Å
8I97.5Very high90Very high72 Ų7290.2 Ų90.237%0.36945%0.449SS..EExtended strand (participates in β ladder)trans-71.4124.6176.8-56.4175.4000108.7A11 Q18 F76I8-A11 HydrophobicContact CG2-CB 4.14Å; I8-Q18 HydrophobicContact CD1-CB 4.49Å; I8-F76 HydrophobicContact CB-CB 4.39Å; I8-F76 HydrophobicContact CG1-CB 4.13Å
9K97.5Very high90.4Very high127 Ų12791 Ų9155%0.55246%0.455SS*.EExtended strand (participates in β ladder)trans-100.1-39.2-179.5-65.9-60.8-174.4-1800111.8V7 Y75 Y77V7-K9 HydrophobicContact CG1-CD 4.26Å; V7-K9 PolarHBondContact O-N 2.85Å; K9-Y75 HydrophobicContact CB-CD1 3.49Å; K9-Y75 VanDerWaalsContact CB-CD1 3.49Å; K9-Y75 HydrophobicContact CB-CE1 3.75Å; K9-Y75 HydrophobicContact CB-CG 4.43Å; K9-Y75 HydrophobicContact CG-CD1 4.18Å; K9-Y75 HydrophobicContact CG-CE1 4Å; K9-Y75 PolarHBondContact N-O 3.43Å; K9-Y77 HydrophobicContact CG-CD2 3.85Å; K9-Y77 HydrophobicContact CG-CE2 4.11Å
10N97.4Very high90.8Very high94 Ų9487.9 Ų87.950%0.50344%0.44SS..EExtended strand (participates in β ladder)trans-154.2146.3175-167.913.3000109.9F73 Y75N10-F73 HydrophobicContact CB-CE1 4.06Å; N10-Y75 PolarHBondContact N-O 2.81Å; N10-Y75 VanDerWaalsContact N-O 3.08Å; N10-Y75 PolarHBondContact O-N 2.9Å
11A97.9Very high91.2Very high33 Ų3383.7 Ų83.727%0.27342%0.419SS..EExtended strand (participates in β ladder)trans-155.1136.9177.300000110.5I8 Q18 F73 I74I8-A11 HydrophobicContact CG2-CB 4.14Å; A11-Q18 HydrophobicContact CB-CG 4.23Å; A11-F73 CarbonylContact C-O 3.55Å; A11-F73 WeakPolarHBondContact CA-O 3.3Å; A11-I74 HydrophobicContact CB-CB 4.49Å; A11-I74 HydrophobicContact CB-CG1 4.01Å
12D97.9Very high93.3Very high52 Ų5277.6 Ų77.628%0.27839%0.391SS..EExtended strand (participates in β ladder)trans-126.283.2165.317833.7000106.9H68 N71 N72 F73D12-H68 IonicContact OD2-NE2 3.54Å; D12-N71 CarbonylContact O-C 3.46Å; D12-N71 WeakPolarHBondContact O-CA 3.36Å; D12-N71 PolarHBondContact OD2-N 3.16Å; D12-N72 PolarHBondContact O-N 2.89Å; D12-F73 CarbonylContact C-O 3.6Å; D12-F73 HydrophobicContact CB-CB 4.28Å; D12-F73 PolarHBondContact N-O 2.93Å; D12-F73 PolarHBondContact O-N 3.17Å
13M97.3Very high95.1Very high16 Ų1680.7 Ų80.78%0.07939%0.393CS..SBendtrans-175.3165.3176.749.3164.739.300110.5V17 Q18 W54 N71 I74M13-V17 HydrophobicContact CE-CB 4.24Å; M13-V17 HydrophobicContact CE-CG1 3.47Å; M13-V17 VanDerWaalsContact CE-CG1 3.47Å; M13-V17 HydrophobicContact SD-CB 4.09Å; M13-V17 HydrophobicContact SD-CG1 3.86Å; M13-Q18 HydrophobicContact CG-CG 3.5Å; M13-Q18 PolarHBondContact O-NE2 3.01Å; M13-Q18 HydrophobicContact SD-CB 4.32Å; M13-Q18 HydrophobicContact SD-CG 3.63Å; M13-W54 HydrophobicContact CE-CH2 3.7Å; M13-W54 HydrophobicContact CE-CZ3 4.11Å; M13-N71 VanDerWaalsContact CB-O 3.31Å; M13-N71 WeakPolarHBondContact CB-O 3.41Å; M13-I74 HydrophobicContact CE-CG2 4.49Å; M13-I74 HydrophobicContact CG-CB 4.48Å; M13-I74 HydrophobicContact SD-CB 3.87Å; M13-I74 HydrophobicContact SD-CD1 4.32Å; M13-I74 HydrophobicContact SD-CG2 4.11Å
14E97.3Very high96.5Very high138 Ų13871.3 Ų71.365%0.64535%0.35SS*.  trans-64.5147.6176-64.3-166.3163.300113T16 V17 Q18E14-T16 VanDerWaalsContact C-N 3.26Å; E14-T16 PolarHBondContact O-N 3.39Å; E14-V17 HydrophobicContact CB-CG2 4.34Å; E14-V17 PolarHBondContact O-N 3.46Å; E14-Q18 WeakPolarHBondContact O-CG 3.38Å; E14-Q18 PolarHBondContact O-N 3.39Å
15R97Very high97.2Very high205 Ų20569.1 Ų69.177%0.77434%0.341SS*.Hα-helixtrans-55.5-39.6-178.5-72.4-176.6-179.7-105.31113.2V17 Q18 D19R15-V17 VanDerWaalsContact C-N 3.29Å; R15-V17 PolarHBondContact O-N 3.17Å; R15-Q18 WeakPolarHBondContact O-CB 3.4Å; R15-Q18 PolarHBondContact O-N 2.92Å; R15-Q18 VanDerWaalsContact O-N 3.16Å; R15-D19 VanDerWaalsContact O-CG 3.29Å; R15-D19 PolarHBondContact O-N 3.23Å
16T97.4Very high97.5Very high93 Ų9361.4 Ų61.457%0.57131%0.31SS*.Hα-helixtrans-60.3-38.7177.747.20000112.2E14 D20E14-T16 VanDerWaalsContact C-N 3.26Å; E14-T16 PolarHBondContact O-N 3.39Å; T16-D20 PolarHBondContact O-N 2.9Å
17V97.7Very high97.5Very high25 Ų2561 Ų6115%0.15231%0.306CS..Hα-helixtrans-75.4-34.3176.7-1720000110.9M13 E14 R15 D20 A21 F46 Y50M13-V17 HydrophobicContact CE-CB 4.24Å; M13-V17 HydrophobicContact CE-CG1 3.47Å; M13-V17 VanDerWaalsContact CE-CG1 3.47Å; M13-V17 HydrophobicContact SD-CB 4.09Å; M13-V17 HydrophobicContact SD-CG1 3.86Å; E14-V17 HydrophobicContact CB-CG2 4.34Å; E14-V17 PolarHBondContact O-N 3.46Å; R15-V17 VanDerWaalsContact C-N 3.29Å; R15-V17 PolarHBondContact O-N 3.17Å; V17-D20 PolarHBondContact O-N 3.42Å; V17-A21 WeakPolarHBondContact O-CB 3.5Å; V17-A21 PolarHBondContact O-N 3.24Å; V17-F46 HydrophobicContact CG1-CE1 4.03Å; V17-Y50 HydrophobicContact CG1-CD1 4.42Å; V17-Y50 HydrophobicContact CG1-CE1 4.02Å; V17-Y50 HydrophobicContact CG1-CE2 4.17Å; V17-Y50 HydrophobicContact CG2-CE1 4Å
18Q98.2Very high97.5Very high31 Ų3158 Ų5815%0.14529%0.288CS..Hα-helixtrans-61.7-45.5172.5-61.7177.834.100111.5I8 A11 M13 E14 R15 D20 A21 V22 I74I8-Q18 HydrophobicContact CD1-CB 4.49Å; A11-Q18 HydrophobicContact CB-CG 4.23Å; M13-Q18 HydrophobicContact CG-CG 3.5Å; M13-Q18 PolarHBondContact O-NE2 3.01Å; M13-Q18 HydrophobicContact SD-CB 4.32Å; M13-Q18 HydrophobicContact SD-CG 3.63Å; E14-Q18 WeakPolarHBondContact O-CG 3.38Å; E14-Q18 PolarHBondContact O-N 3.39Å; R15-Q18 WeakPolarHBondContact O-CB 3.4Å; R15-Q18 PolarHBondContact O-N 2.92Å; R15-Q18 VanDerWaalsContact O-N 3.16Å; Q18-D20 VanDerWaalsContact C-N 3.32Å; Q18-D20 PolarHBondContact O-N 2.89Å; Q18-A21 WeakPolarHBondContact O-CB 3.45Å; Q18-A21 PolarHBondContact O-N 3.41Å; Q18-A21 VanDerWaalsContact O-N 3.17Å; Q18-V22 WeakPolarHBondContact O-CG2 3.45Å; Q18-V22 PolarHBondContact O-N 3.17Å; Q18-I74 HydrophobicContact CB-CD1 3.85Å; Q18-I74 HydrophobicContact CG-CD1 3.95Å
19D97.4Very high97.4Very high106 Ų10655.2 Ų55.257%0.56727%0.273SS*.Hα-helixtrans-62.6-40.8178.2-67.1-24.4000111R15 V22 Y23R15-D19 VanDerWaalsContact O-CG 3.29Å; R15-D19 PolarHBondContact O-N 3.23Å; D19-V22 PolarHBondContact O-N 3.01Å; D19-Y23 WeakPolarHBondContact O-CB 3.47Å; D19-Y23 PolarHBondContact O-N 3.32Å
20D97.9Very high97.3Very high29 Ų2952.7 Ų52.716%0.15527%0.266CS..Hα-helixtrans-66.5-36.6174.1-167.241.4000112.2T16 V17 Q18 Y23 V24 K49 Y50T16-D20 PolarHBondContact O-N 2.9Å; V17-D20 PolarHBondContact O-N 3.42Å; Q18-D20 VanDerWaalsContact C-N 3.32Å; Q18-D20 PolarHBondContact O-N 2.89Å; D20-Y23 PolarHBondContact O-N 2.73Å; D20-V24 WeakPolarHBondContact O-CB 3.32Å; D20-V24 VanDerWaalsContact O-CG2 3.23Å; D20-V24 WeakPolarHBondContact O-CG2 3.34Å; D20-V24 PolarHBondContact O-N 2.83Å; D20-K49 IonicContact OD1-NZ 3.96Å; D20-K49 PolarHBondContact OD1-NZ 3.17Å; D20-K49 WeakPolarHBondContact OD2-CD 3.4Å; D20-K49 IonicContact OD2-NZ 2.73Å; D20-K49 PolarHBondContact OD2-NZ 3.41Å; D20-Y50 WeakPolarHBondContact CB-OH 3.35Å; D20-Y50 WeakPolarHBondContact OD2-CE2 3.48Å; D20-Y50 PolarHBondContact OD2-OH 3Å
21A98.4Very high97.3Very high0 Ų054.6 Ų54.60%027%0.27CS..Hα-helixtrans-61.4-45.7174.900000111.7V17 Q18 A25 F46 I74 F76 L85V17-A21 WeakPolarHBondContact O-CB 3.5Å; V17-A21 PolarHBondContact O-N 3.24Å; Q18-A21 WeakPolarHBondContact O-CB 3.45Å; Q18-A21 PolarHBondContact O-N 3.41Å; Q18-A21 VanDerWaalsContact O-N 3.17Å; A21-A25 VanDerWaalsContact O-CB 3.24Å; A21-A25 WeakPolarHBondContact O-CB 3.14Å; A21-A25 PolarHBondContact O-N 3.08Å; A21-F46 VanDerWaalsContact CA-CZ 3.41Å; A21-F46 HydrophobicContact CB-CE1 4.29Å; A21-F46 HydrophobicContact CB-CE2 4.14Å; A21-F46 HydrophobicContact CB-CZ 3.5Å; A21-I74 HydrophobicContact CB-CD1 4.13Å; A21-I74 HydrophobicContact CB-CG2 4.03Å; A21-F76 HydrophobicContact CB-CE1 4.33Å; A21-L85 HydrophobicContact CB-CD2 4.06Å
22V97.8Very high97.2Very high28 Ų2856.1 Ų56.117%0.1727%0.269CS..Hα-helixtrans-62.9-45.1175.61680000110.9A6 Q18 D19 A25 S26 F76 L78A6-V22 HydrophobicContact CB-CB 4.34Å; A6-V22 HydrophobicContact CB-CG1 3.59Å; A6-V22 HydrophobicContact CB-CG2 3.73Å; Q18-V22 WeakPolarHBondContact O-CG2 3.45Å; Q18-V22 PolarHBondContact O-N 3.17Å; D19-V22 PolarHBondContact O-N 3.01Å; V22-A25 PolarHBondContact O-N 3.23Å; V22-S26 WeakPolarHBondContact O-CB 3.29Å; V22-S26 PolarHBondContact O-N 3.28Å; V22-F76 HydrophobicContact CG2-CD2 4.08Å; V22-F76 HydrophobicContact CG2-CE2 3.98Å; V22-F76 HydrophobicContact CG2-CZ 4.32Å; V22-L78 HydrophobicContact CG1-CD2 4.38Å
23Y97.2Very high97Very high128 Ų12860.3 Ų60.350%0.50229%0.291SS..Hα-helixtrans-61.3-51.1178.9177.8-98.8000112.1M1 D19 D20 A25 S26 A27M1-Y23 HydrophobicContact CE-CE2 3.82Å; M1-Y23 HydrophobicContact SD-CE2 3.74Å; D19-Y23 WeakPolarHBondContact O-CB 3.47Å; D19-Y23 PolarHBondContact O-N 3.32Å; D20-Y23 PolarHBondContact O-N 2.73Å; Y23-A25 VanDerWaalsContact C-N 3.32Å; Y23-A25 PolarHBondContact O-N 2.79Å; Y23-S26 PolarHBondContact O-N 3.01Å; Y23-A27 WeakPolarHBondContact O-CB 3.46Å; Y23-A27 PolarHBondContact O-N 2.69Å
24V97.9Very high97Very high4 Ų464.5 Ų64.52%0.02431%0.313CS..Hα-helixtrans-61.1-41.8178.6171.10000110.7D20 A27 A28 Y41 I42 E45 F46D20-V24 WeakPolarHBondContact O-CB 3.32Å; D20-V24 VanDerWaalsContact O-CG2 3.23Å; D20-V24 WeakPolarHBondContact O-CG2 3.34Å; D20-V24 PolarHBondContact O-N 2.83Å; V24-A27 PolarHBondContact O-N 2.84Å; V24-A28 WeakPolarHBondContact O-CB 3.48Å; V24-A28 PolarHBondContact O-N 2.66Å; V24-Y41 HydrophobicContact CG1-CD1 4.19Å; V24-Y41 HydrophobicContact CG1-CE1 3.98Å; V24-I42 HydrophobicContact CG1-CB 4.37Å; V24-I42 HydrophobicContact CG1-CG1 4.19Å; V24-I42 HydrophobicContact CG1-CG2 4.35Å; V24-E45 HydrophobicContact CG1-CB 3.8Å; V24-E45 HydrophobicContact CG1-CG 4.15Å; V24-F46 HydrophobicContact CB-CE2 4.19Å; V24-F46 HydrophobicContact CG1-CD2 4.46Å; V24-F46 HydrophobicContact CG1-CE2 4.39Å; V24-F46 HydrophobicContact CG2-CE2 4.22Å
25A98Very high97.1Very high0 Ų061.3 Ų61.30%030%0.298CS..Hα-helixtrans-66.9-41.2177.500000112.6A21 V22 Y23 A28 M29 I42 F76 L78 V83A21-A25 VanDerWaalsContact O-CB 3.24Å; A21-A25 WeakPolarHBondContact O-CB 3.14Å; A21-A25 PolarHBondContact O-N 3.08Å; V22-A25 PolarHBondContact O-N 3.23Å; Y23-A25 VanDerWaalsContact C-N 3.32Å; Y23-A25 PolarHBondContact O-N 2.79Å; A25-A28 WeakPolarHBondContact O-CB 3.23Å; A25-A28 PolarHBondContact O-N 2.74Å; A25-M29 WeakPolarHBondContact O-CG 3.47Å; A25-M29 PolarHBondContact O-N 2.79Å; A25-I42 HydrophobicContact CB-CD1 3.67Å; A25-I42 HydrophobicContact CB-CG1 4.23Å; A25-F76 HydrophobicContact CB-CE2 3.92Å; A25-F76 HydrophobicContact CB-CZ 3.62Å; A25-L78 HydrophobicContact CB-CD1 3.67Å; A25-V83 HydrophobicContact CB-CG2 4.34Å
26S96.8Very high97.1Very high13 Ų1358.4 Ų58.49%0.09129%0.291CS..Hα-helixtrans-63.3-43.7175.3-170.80000111.4R4 V22 Y23 A28 M29 D30R4-S26 PolarHBondContact NH1-O 2.86Å; R4-S26 PolarHBondContact NH1-OG 3.18Å; R4-S26 VanDerWaalsContact NH1-OG 3.17Å; V22-S26 WeakPolarHBondContact O-CB 3.29Å; V22-S26 PolarHBondContact O-N 3.28Å; Y23-S26 PolarHBondContact O-N 3.01Å; S26-A28 VanDerWaalsContact C-N 3.31Å; S26-A28 PolarHBondContact O-N 2.93Å; S26-M29 PolarHBondContact O-N 3Å; S26-D30 PolarHBondContact O-N 2.66Å
27A96.3Very high97.2Very high23 Ų2356.3 Ų56.319%0.1928%0.276CS..Hα-helixtrans-62.6-37.4175.200000112.3Y23 V24 D30 K31Y23-A27 WeakPolarHBondContact O-CB 3.46Å; Y23-A27 PolarHBondContact O-N 2.69Å; V24-A27 PolarHBondContact O-N 2.84Å; A27-D30 PolarHBondContact O-N 3.02Å; A27-K31 PolarHBondContact O-N 2.85Å
28A97.4Very high97.2Very high0 Ų055.1 Ų55.10%027%0.269CS..Hα-helixtrans-64.5-43.1175.100000111.8V24 A25 S26 D30 K31 Y32 V38 Y41 I42V24-A28 WeakPolarHBondContact O-CB 3.48Å; V24-A28 PolarHBondContact O-N 2.66Å; A25-A28 WeakPolarHBondContact O-CB 3.23Å; A25-A28 PolarHBondContact O-N 2.74Å; S26-A28 VanDerWaalsContact C-N 3.31Å; S26-A28 PolarHBondContact O-N 2.93Å; A28-D30 VanDerWaalsContact C-N 3.32Å; A28-D30 PolarHBondContact O-N 2.89Å; A28-K31 PolarHBondContact O-N 2.94Å; A28-K31 VanDerWaalsContact O-N 3.12Å; A28-Y32 WeakPolarHBondContact O-CD2 3.35Å; A28-Y32 PolarHBondContact O-N 3.26Å; A28-V38 HydrophobicContact CB-CB 4.49Å; A28-V38 HydrophobicContact CB-CG1 3.78Å; A28-Y41 HydrophobicContact CB-CD1 3.48Å; A28-Y41 VanDerWaalsContact CB-CD1 3.48Å; A28-Y41 HydrophobicContact CB-CE1 4.13Å; A28-Y41 HydrophobicContact CB-CG 4.12Å; A28-I42 HydrophobicContact CB-CD1 4.42Å; A28-I42 HydrophobicContact CB-CG1 3.98Å
29M95.8Very high97.2Very high15 Ų1554.2 Ų54.27%0.07427%0.267CS..Hα-helixtrans-70.2-24.9178.1-69.7-174.7-175.400113.4A25 S26 K31 V38 V58 L78 R81 V83A25-M29 WeakPolarHBondContact O-CG 3.47Å; A25-M29 PolarHBondContact O-N 2.79Å; S26-M29 PolarHBondContact O-N 3Å; M29-K31 VanDerWaalsContact C-N 3.3Å; M29-V38 HydrophobicContact CE-CG1 4.48Å; M29-V38 HydrophobicContact CG-CG1 3.92Å; M29-V38 HydrophobicContact CG-CG2 4.47Å; M29-V58 HydrophobicContact CE-CG1 4.34Å; M29-L78 HydrophobicContact CE-CB 3.95Å; M29-L78 HydrophobicContact CE-CD1 4.05Å; M29-L78 HydrophobicContact SD-CB 3.73Å; M29-L78 HydrophobicContact SD-CD1 3.9Å; M29-L78 HydrophobicContact SD-CG 4.49Å; M29-R81 HydrophobicContact CE-CB 3.77Å; M29-V83 HydrophobicContact CE-CG2 3.69Å
30D94.9Very high97.3Very high73 Ų7350.9 Ų50.939%0.3925%0.254SS..Hα-helixtrans-71.9-24.8169.7-81.5-11000112.5M1 S2 R4 S26 A27 A28M1-D30 WeakPolarHBondContact CA-OD2 3.48Å; S2-D30 PolarHBondContact OG-OD1 3.15Å; R4-D30 IonicContact CZ-OD1 2.66Å; R4-D30 IonicContact NH1-OD1 2.74Å; R4-D30 PolarHBondContact NH1-OD1 3.42Å; R4-D30 IonicContact NH1-OD2 2.69Å; R4-D30 IonicContact NH2-OD1 2.84Å; R4-D30 PolarHBondContact NH2-OD1 2.96Å; S26-D30 PolarHBondContact O-N 2.66Å; A27-D30 PolarHBondContact O-N 3.02Å; A28-D30 VanDerWaalsContact C-N 3.32Å; A28-D30 PolarHBondContact O-N 2.89Å
31K96Very high97.3Very high134 Ų13452.5 Ų52.558%0.58326%0.258SS*.Hα-helixtrans-101.4-28.1-172.8-172.8174.3178.3-168.20114A27 A28 M29A27-K31 PolarHBondContact O-N 2.85Å; A28-K31 PolarHBondContact O-N 2.94Å; A28-K31 VanDerWaalsContact O-N 3.12Å; M29-K31 VanDerWaalsContact C-N 3.3Å
32Y97Very high97.3Very high66 Ų6652.5 Ų52.526%0.25926%0.258SS..  trans-132.9130.6-171.6-55.9-74.7000111.8A28 D37 V38 Y41A28-Y32 WeakPolarHBondContact O-CD2 3.35Å; A28-Y32 PolarHBondContact O-N 3.26Å; Y32-D37 HydrophobicContact CD1-CB 3.82Å; Y32-D37 HydrophobicContact CG-CB 3.92Å; Y32-V38 WeakPolarHBondContact O-CG2 3.24Å; Y32-Y41 AromaticContact CE2-CD2 3.67Å; Y32-Y41 HydrophobicContact CE2-CD2 3.67Å; Y32-Y41 AromaticContact CE2-CG 3.85Å; Y32-Y41 HydrophobicContact CE2-CG 3.85Å
33D94.4Very high97.4Very high140 Ų14054.2 Ų54.275%0.74926%0.264SS*.SBendtrans-82.1-32.3176.5-66.1-44.3000112.8R81D33-R81 PolarHBondContact O-NH1 2.8Å; D33-R81 PolarHBondContact O-NH2 2.91Å
34I97Very high97.4Very high104 Ų10455.1 Ų55.153%0.53327%0.27SS..SBendtrans-86.1125.6-173.4-56.7176.4000110.4K36 D37 V38I34-K36 VanDerWaalsContact C-N 3.26Å; I34-K36 HydrophobicContact CG2-CB 4.11Å; I34-K36 PolarHBondContact O-N 3.46Å; I34-D37 PolarHBondContact O-N 2.95Å; I34-V38 PolarHBondContact O-N 3.48Å; I34-V38 VanDerWaalsContact O-N 3.12Å
35E97.7Very high97.5Very high71 Ų7156.8 Ų56.833%0.33228%0.278SS..Hα-helixtrans-52.6-41.1-177.7-64.8173.3155.500113.1D37 V38 A39 V58 G59 K60E35-D37 VanDerWaalsContact C-N 3.29Å; E35-D37 PolarHBondContact O-N 2.93Å; E35-V38 PolarHBondContact O-N 3.42Å; E35-A39 WeakPolarHBondContact O-CB 3.43Å; E35-A39 PolarHBondContact O-N 2.81Å; E35-V58 HydrophobicContact CB-CB 4.32Å; E35-V58 HydrophobicContact CB-CG1 4.22Å; E35-V58 HydrophobicContact CG-CG1 4.28Å; E35-G59 WeakPolarHBondContact OE1-CA 3.47Å; E35-K60 PolarHBondContact OE1-N 3.29Å
36K98.2Very high97.5Very high143 Ų14356.8 Ų56.862%0.62228%0.278SS*.Hα-helixtrans-56.8-41.8175.6-176.8-17462.861.60112.4I34 A40I34-K36 VanDerWaalsContact C-N 3.26Å; I34-K36 HydrophobicContact CG2-CB 4.11Å; I34-K36 PolarHBondContact O-N 3.46Å; K36-A40 VanDerWaalsContact O-CB 3.31Å; K36-A40 WeakPolarHBondContact O-CB 3.4Å; K36-A40 PolarHBondContact O-N 2.93Å
37D98.4Very high97.6Very high49 Ų4957.6 Ų57.626%0.26228%0.281SS..Hα-helixtrans-77.5-35.9-176-63.6-26.3000111.2Y32 I34 E35 A40 Y41Y32-D37 HydrophobicContact CD1-CB 3.82Å; Y32-D37 HydrophobicContact CG-CB 3.92Å; I34-D37 PolarHBondContact O-N 2.95Å; E35-D37 VanDerWaalsContact C-N 3.29Å; E35-D37 PolarHBondContact O-N 2.93Å; D37-A40 PolarHBondContact O-N 3.12Å; D37-Y41 WeakPolarHBondContact O-CB 3.31Å; D37-Y41 PolarHBondContact O-N 3.32Å
38V98.3Very high97.6Very high0 Ų064.3 Ų64.30%030%0.302CS..Hα-helixtrans-58-52168.9-179.80000110.1A28 M29 Y32 I34 E35 A40 Y41 I42 V58A28-V38 HydrophobicContact CB-CB 4.49Å; A28-V38 HydrophobicContact CB-CG1 3.78Å; M29-V38 HydrophobicContact CE-CG1 4.48Å; M29-V38 HydrophobicContact CG-CG1 3.92Å; M29-V38 HydrophobicContact CG-CG2 4.47Å; Y32-V38 WeakPolarHBondContact O-CG2 3.24Å; I34-V38 PolarHBondContact O-N 3.48Å; I34-V38 VanDerWaalsContact O-N 3.12Å; E35-V38 PolarHBondContact O-N 3.42Å; V38-A40 PolarHBondContact O-N 3.33Å; V38-Y41 PolarHBondContact O-N 3.01Å; V38-I42 HydrophobicContact CG1-CD1 3.85Å; V38-I42 WeakPolarHBondContact O-CG1 3.35Å; V38-I42 PolarHBondContact O-N 2.87Å; V38-V58 HydrophobicContact CB-CG1 4.48Å; V38-V58 HydrophobicContact CB-CG2 4.42Å; V38-V58 HydrophobicContact CG1-CG1 4.24Å; V38-V58 HydrophobicContact CG1-CG2 4Å
39A98.8Very high97.7Very high12 Ų1267.8 Ų67.810%0.09932%0.317CS..Hα-helixtrans-60.4-43.9179.500000112.2E35 Y41 I42 K43 C56 V58E35-A39 WeakPolarHBondContact O-CB 3.43Å; E35-A39 PolarHBondContact O-N 2.81Å; A39-Y41 VanDerWaalsContact C-N 3.33Å; A39-Y41 PolarHBondContact O-N 2.8Å; A39-I42 PolarHBondContact O-N 3.05Å; A39-K43 WeakPolarHBondContact O-CB 3.34Å; A39-K43 PolarHBondContact O-N 3.35Å; A39-C56 HydrophobicContact CB-CB 4.3Å; A39-C56 WeakPolarHBondContact O-CB 3.35Å; A39-V58 HydrophobicContact CB-CB 4.28Å; A39-V58 HydrophobicContact CB-CG2 3.83Å
40A98.7Very high97.8Very high37 Ų3770.3 Ų70.331%0.30633%0.326SS..Hα-helixtrans-63.5-37.9178.100000112.5K36 D37 V38 K44K36-A40 VanDerWaalsContact O-CB 3.31Å; K36-A40 WeakPolarHBondContact O-CB 3.4Å; K36-A40 PolarHBondContact O-N 2.93Å; D37-A40 PolarHBondContact O-N 3.12Å; V38-A40 PolarHBondContact O-N 3.33Å; A40-K44 WeakPolarHBondContact O-CB 3.43Å; A40-K44 VanDerWaalsContact O-CG 3.25Å; A40-K44 WeakPolarHBondContact O-CG 3.33Å; A40-K44 PolarHBondContact O-N 2.97Å; A40-K44 VanDerWaalsContact O-N 3.12Å
41Y98.7Very high97.8Very high62 Ų6270.8 Ų70.824%0.24333%0.332CS..Hα-helixtrans-65.3-50.6176-179.8-88.7000111.4V24 A28 Y32 D37 V38 A39 K43 K44 E45V24-Y41 HydrophobicContact CG1-CD1 4.19Å; V24-Y41 HydrophobicContact CG1-CE1 3.98Å; A28-Y41 HydrophobicContact CB-CD1 3.48Å; A28-Y41 VanDerWaalsContact CB-CD1 3.48Å; A28-Y41 HydrophobicContact CB-CE1 4.13Å; A28-Y41 HydrophobicContact CB-CG 4.12Å; Y32-Y41 AromaticContact CE2-CD2 3.67Å; Y32-Y41 HydrophobicContact CE2-CD2 3.67Å; Y32-Y41 AromaticContact CE2-CG 3.85Å; Y32-Y41 HydrophobicContact CE2-CG 3.85Å; D37-Y41 WeakPolarHBondContact O-CB 3.31Å; D37-Y41 PolarHBondContact O-N 3.32Å; V38-Y41 PolarHBondContact O-N 3.01Å; A39-Y41 VanDerWaalsContact C-N 3.33Å; A39-Y41 PolarHBondContact O-N 2.8Å; Y41-K43 PolarHBondContact O-N 2.98Å; Y41-K44 PolarHBondContact O-N 2.9Å; Y41-E45 HydrophobicContact CD1-CG 4.3Å; Y41-E45 HydrophobicContact CE1-CG 3.88Å; Y41-E45 HydrophobicContact CE2-CG 4.43Å; Y41-E45 PolarHBondContact O-N 2.84Å
42I98.7Very high97.9Very high0 Ų067.9 Ų67.90%033%0.326CS..Hα-helixtrans-58.8-49-179.7-62.8163.4000110.2V24 A25 A28 V38 A39 K44 E45 F46 V58 V83 L85V24-I42 HydrophobicContact CG1-CB 4.37Å; V24-I42 HydrophobicContact CG1-CG1 4.19Å; V24-I42 HydrophobicContact CG1-CG2 4.35Å; A25-I42 HydrophobicContact CB-CD1 3.67Å; A25-I42 HydrophobicContact CB-CG1 4.23Å; A28-I42 HydrophobicContact CB-CD1 4.42Å; A28-I42 HydrophobicContact CB-CG1 3.98Å; V38-I42 HydrophobicContact CG1-CD1 3.85Å; V38-I42 WeakPolarHBondContact O-CG1 3.35Å; V38-I42 PolarHBondContact O-N 2.87Å; A39-I42 PolarHBondContact O-N 3.05Å; I42-K44 PolarHBondContact O-N 3.34Å; I42-E45 PolarHBondContact O-N 2.73Å; I42-F46 HydrophobicContact CG2-CD2 4.18Å; I42-F46 PolarHBondContact O-N 3.4Å; I42-V58 HydrophobicContact CD1-CG2 4.19Å; I42-V83 HydrophobicContact CD1-CG1 4.05Å; I42-L85 HydrophobicContact CG2-CD1 3.95Å; I42-L85 HydrophobicContact CG2-CD2 3.83Å; I42-L85 HydrophobicContact CG2-CG 4.44Å
43K98.7Very high97.9Very high65 Ų6568.4 Ų68.428%0.28333%0.334SS..Hα-helixtrans-53.8-51.4177.3-175.3-164.3-178.7-36.90111.7A39 Y41 E45 F46 D47 W54 C56A39-K43 WeakPolarHBondContact O-CB 3.34Å; A39-K43 PolarHBondContact O-N 3.35Å; Y41-K43 PolarHBondContact O-N 2.98Å; K43-E45 PolarHBondContact O-N 3.26Å; K43-F46 PolarHBondContact O-N 3.42Å; K43-D47 IonicContact NZ-OD1 3.48Å; K43-D47 PolarHBondContact NZ-OD1 3.26Å; K43-D47 IonicContact NZ-OD2 2.63Å; K43-D47 PolarHBondContact NZ-OD2 3.44Å; K43-D47 WeakPolarHBondContact O-CB 3.16Å; K43-D47 VanDerWaalsContact O-CG 3.32Å; K43-D47 PolarHBondContact O-N 3.01Å; K43-W54 WeakPolarHBondContact CE-O 3.44Å; K43-W54 HydrophobicContact CG-CB 4.38Å; K43-W54 VanDerWaalsContact CG-O 3.23Å; K43-W54 WeakPolarHBondContact CG-O 3.45Å; K43-W54 PolarHBondContact NZ-O 3.44Å; K43-C56 HydrophobicContact CB-CB 4.09Å
44K98.5Very high98.1Very high147 Ų14761.7 Ų61.764%0.63930%0.298SS*.Hα-helixtrans-63.7-40-177.5-75.9175.1179.9-178.70112.4A40 Y41 I42 R48A40-K44 WeakPolarHBondContact O-CB 3.43Å; A40-K44 VanDerWaalsContact O-CG 3.25Å; A40-K44 WeakPolarHBondContact O-CG 3.33Å; A40-K44 PolarHBondContact O-N 2.97Å; A40-K44 VanDerWaalsContact O-N 3.12Å; Y41-K44 PolarHBondContact O-N 2.9Å; I42-K44 PolarHBondContact O-N 3.34Å; K44-R48 WeakPolarHBondContact O-CB 3.48Å; K44-R48 PolarHBondContact O-N 2.82Å
45E98.5Very high98.1Very high39 Ų3960 Ų6018%0.18229%0.288CS..Hα-helixtrans-65-41176-78.9-59.3119.400111.7V24 Y41 I42 K43 R48 K49V24-E45 HydrophobicContact CG1-CB 3.8Å; V24-E45 HydrophobicContact CG1-CG 4.15Å; Y41-E45 HydrophobicContact CD1-CG 4.3Å; Y41-E45 HydrophobicContact CE1-CG 3.88Å; Y41-E45 HydrophobicContact CE2-CG 4.43Å; Y41-E45 PolarHBondContact O-N 2.84Å; I42-E45 PolarHBondContact O-N 2.73Å; K43-E45 PolarHBondContact O-N 3.26Å; E45-R48 PolarHBondContact O-N 3.3Å; E45-R48 IonicContact OE1-NE 2.78Å; E45-R48 IonicContact OE1-NH2 3.83Å; E45-R48 IonicContact OE2-CZ 3.5Å; E45-R48 IonicContact OE2-NE 3.52Å; E45-R48 IonicContact OE2-NH2 3.23Å; E45-R48 PolarHBondContact OE2-NH2 3.44Å; E45-K49 WeakPolarHBondContact O-CB 3.49Å; E45-K49 WeakPolarHBondContact O-CG 3.31Å; E45-K49 PolarHBondContact O-N 2.89Å
46F98.5Very high98.2Very high0 Ų057.8 Ų57.80%028%0.279CS..Hα-helixtrans-71-41.1177.8-92.8-106.6000113.1V17 A21 V24 I42 K43 R48 K49 Y50 W54 L85V17-F46 HydrophobicContact CG1-CE1 4.03Å; A21-F46 VanDerWaalsContact CA-CZ 3.41Å; A21-F46 HydrophobicContact CB-CE1 4.29Å; A21-F46 HydrophobicContact CB-CE2 4.14Å; A21-F46 HydrophobicContact CB-CZ 3.5Å; V24-F46 HydrophobicContact CB-CE2 4.19Å; V24-F46 HydrophobicContact CG1-CD2 4.46Å; V24-F46 HydrophobicContact CG1-CE2 4.39Å; V24-F46 HydrophobicContact CG2-CE2 4.22Å; I42-F46 HydrophobicContact CG2-CD2 4.18Å; I42-F46 PolarHBondContact O-N 3.4Å; K43-F46 PolarHBondContact O-N 3.42Å; F46-R48 PolarHBondContact O-N 2.96Å; F46-K49 PolarHBondContact O-N 3.24Å; F46-Y50 HydrophobicContact CB-CD2 4.45Å; F46-Y50 AromaticContact CD1-CD2 3.44Å; F46-Y50 HydrophobicContact CD1-CD2 3.44Å; F46-Y50 VanDerWaalsContact CD1-CD2 3.44Å; F46-Y50 AromaticContact CD1-CE2 3.92Å; F46-Y50 HydrophobicContact CD1-CE2 3.92Å; F46-Y50 HydrophobicContact CD1-CG 4.42Å; F46-Y50 AromaticContact CE1-CD2 3.62Å; F46-Y50 HydrophobicContact CE1-CD2 3.62Å; F46-Y50 AromaticContact CE1-CE2 3.64Å; F46-Y50 HydrophobicContact CE1-CE2 3.64Å; F46-Y50 HydrophobicContact CE2-CE2 4.36Å; F46-Y50 AromaticContact CG-CD2 3.97Å; F46-Y50 HydrophobicContact CG-CD2 3.97Å; F46-Y50 HydrophobicContact CG-CE2 4.39Å; F46-Y50 HydrophobicContact CZ-CD2 4.24Å; F46-Y50 AromaticContact CZ-CE2 3.84Å; F46-Y50 HydrophobicContact CZ-CE2 3.84Å; F46-Y50 WeakPolarHBondContact O-CA 3.44Å; F46-Y50 PolarHBondContact O-N 3.43Å; F46-W54 VanDerWaalsContact C-CD1 3.42Å; F46-W54 HydrophobicContact CB-CB 4.06Å; F46-W54 HydrophobicContact CB-CD2 3.72Å; F46-W54 HydrophobicContact CB-CE3 4.28Å; F46-W54 HydrophobicContact CB-CG 3.58Å; F46-W54 AromaticContact CD1-CD2 3.73Å; F46-W54 HydrophobicContact CD1-CD2 3.73Å; F46-W54 AromaticContact CD1-CE2 3.71Å; F46-W54 AromaticContact CD1-CE3 3.73Å; F46-W54 HydrophobicContact CD1-CE3 3.73Å; F46-W54 HydrophobicContact CD1-CG 4.5Å; F46-W54 AromaticContact CD1-CH2 3.7Å; F46-W54 HydrophobicContact CD1-CH2 3.7Å; F46-W54 AromaticContact CD1-CZ2 3.71Å; F46-W54 HydrophobicContact CD1-CZ2 3.71Å; F46-W54 AromaticContact CD1-CZ3 3.71Å; F46-W54 HydrophobicContact CD1-CZ3 3.71Å; F46-W54 HydrophobicContact CE1-CH2 4.04Å; F46-W54 HydrophobicContact CE1-CZ2 4.34Å; F46-W54 HydrophobicContact CE1-CZ3 4.17Å; F46-W54 HydrophobicContact CG-CD2 4.17Å; F46-W54 HydrophobicContact CG-CE3 4.34Å; F46-W54 PolarHBondContact O-NE1 3.06Å; F46-L85 HydrophobicContact CB-CD1 4.49Å; F46-L85 HydrophobicContact CD1-CD2 3.67Å; F46-L85 HydrophobicContact CD1-CG 4.36Å; F46-L85 HydrophobicContact CD2-CD2 3.83Å; F46-L85 HydrophobicContact CE1-CD2 3.59Å; F46-L85 HydrophobicContact CE2-CD2 3.77Å; F46-L85 HydrophobicContact CG-CD1 4.33Å; F46-L85 HydrophobicContact CG-CD2 3.8Å; F46-L85 HydrophobicContact CZ-CD2 3.67Å
47D98.4Very high98.2Very high30 Ų3053.8 Ų53.816%0.1627%0.267CS..Hα-helixtrans-54.7-42.5170.2-76.7-23.2000111.2K43 T51 P52 W54K43-D47 IonicContact NZ-OD1 3.48Å; K43-D47 PolarHBondContact NZ-OD1 3.26Å; K43-D47 IonicContact NZ-OD2 2.63Å; K43-D47 PolarHBondContact NZ-OD2 3.44Å; K43-D47 WeakPolarHBondContact O-CB 3.16Å; K43-D47 VanDerWaalsContact O-CG 3.32Å; K43-D47 PolarHBondContact O-N 3.01Å; D47-T51 CarbonylContact O-C 3.57Å; D47-T51 WeakPolarHBondContact O-CA 3.33Å; D47-T51 PolarHBondContact O-N 3.12Å; D47-P52 HydrophobicContact CB-CG 4.13Å; D47-P52 WeakPolarHBondContact O-CD 3.39Å; D47-W54 WeakPolarHBondContact OD1-CB 3.38Å; D47-W54 PolarHBondContact OD1-N 2.97Å
48R98.1Very high98.2Very high164 Ų16452 Ų5262%0.61926%0.258SS*.Hα-helixtrans-70.7-41.5-179.7-173.6-174.966.873.9-1.1112.8K44 E45 F46K44-R48 WeakPolarHBondContact O-CB 3.48Å; K44-R48 PolarHBondContact O-N 2.82Å; E45-R48 PolarHBondContact O-N 3.3Å; E45-R48 IonicContact OE1-NE 2.78Å; E45-R48 IonicContact OE1-NH2 3.83Å; E45-R48 IonicContact OE2-CZ 3.5Å; E45-R48 IonicContact OE2-NE 3.52Å; E45-R48 IonicContact OE2-NH2 3.23Å; E45-R48 PolarHBondContact OE2-NH2 3.44Å; F46-R48 PolarHBondContact O-N 2.96Å
49K98Very high98.2Very high73 Ų7352.3 Ų52.332%0.31726%0.261SS..Hα-helixtrans-86-38.6-173.9-72.9176.3172.2-176.80113.5D20 E45 F46D20-K49 IonicContact OD1-NZ 3.96Å; D20-K49 PolarHBondContact OD1-NZ 3.17Å; D20-K49 WeakPolarHBondContact OD2-CD 3.4Å; D20-K49 IonicContact OD2-NZ 2.73Å; D20-K49 PolarHBondContact OD2-NZ 3.41Å; E45-K49 WeakPolarHBondContact O-CB 3.49Å; E45-K49 WeakPolarHBondContact O-CG 3.31Å; E45-K49 PolarHBondContact O-N 2.89Å; F46-K49 PolarHBondContact O-N 3.24Å
50Y97.5Very high98.1Very high67 Ų6756 Ų5626%0.26328%0.275SS..Hα-helixtrans-123.520.7-166.6-56.8-71.9000113.1V17 D20 F46 W54V17-Y50 HydrophobicContact CG1-CD1 4.42Å; V17-Y50 HydrophobicContact CG1-CE1 4.02Å; V17-Y50 HydrophobicContact CG1-CE2 4.17Å; V17-Y50 HydrophobicContact CG2-CE1 4Å; D20-Y50 WeakPolarHBondContact CB-OH 3.35Å; D20-Y50 WeakPolarHBondContact OD2-CE2 3.48Å; D20-Y50 PolarHBondContact OD2-OH 3Å; F46-Y50 HydrophobicContact CB-CD2 4.45Å; F46-Y50 AromaticContact CD1-CD2 3.44Å; F46-Y50 HydrophobicContact CD1-CD2 3.44Å; F46-Y50 VanDerWaalsContact CD1-CD2 3.44Å; F46-Y50 AromaticContact CD1-CE2 3.92Å; F46-Y50 HydrophobicContact CD1-CE2 3.92Å; F46-Y50 HydrophobicContact CD1-CG 4.42Å; F46-Y50 AromaticContact CE1-CD2 3.62Å; F46-Y50 HydrophobicContact CE1-CD2 3.62Å; F46-Y50 AromaticContact CE1-CE2 3.64Å; F46-Y50 HydrophobicContact CE1-CE2 3.64Å; F46-Y50 HydrophobicContact CE2-CE2 4.36Å; F46-Y50 AromaticContact CG-CD2 3.97Å; F46-Y50 HydrophobicContact CG-CD2 3.97Å; F46-Y50 HydrophobicContact CG-CE2 4.39Å; F46-Y50 HydrophobicContact CZ-CD2 4.24Å; F46-Y50 AromaticContact CZ-CE2 3.84Å; F46-Y50 HydrophobicContact CZ-CE2 3.84Å; F46-Y50 WeakPolarHBondContact O-CA 3.44Å; F46-Y50 PolarHBondContact O-N 3.43Å; Y50-W54 HydrophobicContact CG-CZ2 4.35Å
51T95.7Very high97.9Very high84 Ų8462.9 Ų62.952%0.51530%0.3SS..  trans64.8141.8-176.670.70000114.2D47 W54D47-T51 CarbonylContact O-C 3.57Å; D47-T51 WeakPolarHBondContact O-CA 3.33Å; D47-T51 PolarHBondContact O-N 3.12Å; T51-W54 PolarHBondContact O-NE1 3.36Å
52P97.6Very high97.9Very high72 Ų7262.8 Ų62.847%0.46830%0.301SS..SBendtrans-63.5159.5173.8-20.132.8000112.8D47 K87D47-P52 HydrophobicContact CB-CG 4.13Å; D47-P52 WeakPolarHBondContact O-CD 3.39Å; P52-K87 WeakPolarHBondContact O-CE 3.24Å
53N96.7Very high97.8Very high77 Ų7766.3 Ų66.341%0.41234%0.338SS..  cis-114.1104.88.9-63.4-62.7000112H55 K87 S88N53-H55 PolarHBondContact O-CD2 2.91Å; N53-H55 PolarHBondContact O-NE2 3.35Å; N53-K87 WeakPolarHBondContact O-CG 3.31Å; N53-S88 PolarHBondContact O-N 2.63Å
54W98.7Very high97.7Very high0 Ų066.4 Ų66.40%035%0.347CS..EExtended strand (participates in β ladder)trans-79.6150.4172.6-69.982.9000111.3M13 K43 F46 D47 Y50 T51 N72 L85 F86 K87M13-W54 HydrophobicContact CE-CH2 3.7Å; M13-W54 HydrophobicContact CE-CZ3 4.11Å; K43-W54 WeakPolarHBondContact CE-O 3.44Å; K43-W54 HydrophobicContact CG-CB 4.38Å; K43-W54 VanDerWaalsContact CG-O 3.23Å; K43-W54 WeakPolarHBondContact CG-O 3.45Å; K43-W54 PolarHBondContact NZ-O 3.44Å; F46-W54 VanDerWaalsContact C-CD1 3.42Å; F46-W54 HydrophobicContact CB-CB 4.06Å; F46-W54 HydrophobicContact CB-CD2 3.72Å; F46-W54 HydrophobicContact CB-CE3 4.28Å; F46-W54 HydrophobicContact CB-CG 3.58Å; F46-W54 AromaticContact CD1-CD2 3.73Å; F46-W54 HydrophobicContact CD1-CD2 3.73Å; F46-W54 AromaticContact CD1-CE2 3.71Å; F46-W54 AromaticContact CD1-CE3 3.73Å; F46-W54 HydrophobicContact CD1-CE3 3.73Å; F46-W54 HydrophobicContact CD1-CG 4.5Å; F46-W54 AromaticContact CD1-CH2 3.7Å; F46-W54 HydrophobicContact CD1-CH2 3.7Å; F46-W54 AromaticContact CD1-CZ2 3.71Å; F46-W54 HydrophobicContact CD1-CZ2 3.71Å; F46-W54 AromaticContact CD1-CZ3 3.71Å; F46-W54 HydrophobicContact CD1-CZ3 3.71Å; F46-W54 HydrophobicContact CE1-CH2 4.04Å; F46-W54 HydrophobicContact CE1-CZ2 4.34Å; F46-W54 HydrophobicContact CE1-CZ3 4.17Å; F46-W54 HydrophobicContact CG-CD2 4.17Å; F46-W54 HydrophobicContact CG-CE3 4.34Å; F46-W54 PolarHBondContact O-NE1 3.06Å; D47-W54 WeakPolarHBondContact OD1-CB 3.38Å; D47-W54 PolarHBondContact OD1-N 2.97Å; Y50-W54 HydrophobicContact CG-CZ2 4.35Å; T51-W54 PolarHBondContact O-NE1 3.36Å; W54-N72 HydrophobicContact CH2-CB 3.91Å; W54-N72 HydrophobicContact CZ2-CB 4.32Å; W54-N72 WeakPolarHBondContact CZ2-OD1 3.19Å; W54-N72 HydrophobicContact CZ3-CB 4.42Å; W54-L85 HydrophobicContact CB-CD1 4.43Å; W54-L85 HydrophobicContact CD2-CD1 4.44Å; W54-L85 HydrophobicContact CE3-CD1 3.64Å; W54-L85 HydrophobicContact CE3-CD2 4.38Å; W54-L85 HydrophobicContact CE3-CG 3.68Å; W54-L85 HydrophobicContact CZ3-CD1 4.34Å; W54-L85 HydrophobicContact CZ3-CD2 4.36Å; W54-L85 HydrophobicContact CZ3-CG 3.86Å; W54-F86 CarbonylContact C-O 3.53Å; W54-K87 HydrophobicContact CD2-CB 4.12Å; W54-K87 HydrophobicContact CD2-CG 4.45Å; W54-K87 HydrophobicContact CE3-CB 4.25Å; W54-K87 HydrophobicContact CZ2-CB 4.4Å; W54-K87 HydrophobicContact CZ3-CB 4.46Å
55H98.7Very high97.7Very high69 Ų6970.5 Ų70.532%0.31936%0.359SS..EExtended strand (participates in β ladder)trans-127.4138.2175.2-57.7-84.6000108N53 L85 F86 S88N53-H55 PolarHBondContact O-CD2 2.91Å; N53-H55 PolarHBondContact O-NE2 3.35Å; H55-L85 WeakPolarHBondContact O-CA 3.42Å; H55-L85 WeakPolarHBondContact O-CD1 3.44Å; H55-F86 HydrophobicContact CB-CD1 4.11Å; H55-F86 HydrophobicContact CB-CD2 4.22Å; H55-F86 HydrophobicContact CB-CE1 3.65Å; H55-F86 HydrophobicContact CB-CE2 3.77Å; H55-F86 HydrophobicContact CB-CG 4.38Å; H55-F86 HydrophobicContact CB-CZ 3.47Å; H55-F86 VanDerWaalsContact CB-CZ 3.47Å; H55-F86 AromaticContact CD2-CE2 3.78Å; H55-F86 AromaticContact CG-CE2 3.9Å; H55-F86 AromaticContact CG-CZ 3.96Å; H55-F86 PolarHBondContact N-O 2.79Å; H55-F86 PolarHBondContact O-N 3.43Å; H55-S88 PolarHBondContact NE2-O 3.18Å
56C98.7Very high97.6Very high23 Ų2371 Ų7116%0.15537%0.365CS..EExtended strand (participates in β ladder)trans-136.3134.4-179.1-171.10000110.6A39 K43 L84 L85A39-C56 HydrophobicContact CB-CB 4.3Å; A39-C56 WeakPolarHBondContact O-CB 3.35Å; K43-C56 HydrophobicContact CB-CB 4.09Å; C56-L84 CarbonylContact C-O 2.86Å; C56-L84 VanDerWaalsContact CA-O 3.3Å; C56-L84 WeakPolarHBondContact CA-O 3.08Å; C56-L85 HydrophobicContact CB-CD1 4.03Å
57V98.6Very high97.6Very high59 Ų5976.6 Ų76.636%0.35840%0.399SS..EExtended strand (participates in β ladder)trans-124132.3171.7-176.40000107.7F62 V83 L84V57-F62 HydrophobicContact CG1-CD1 4.45Å; V57-F62 HydrophobicContact CG1-CD2 4.19Å; V57-F62 HydrophobicContact CG1-CE1 4.35Å; V57-F62 HydrophobicContact CG1-CE2 4.1Å; V57-F62 HydrophobicContact CG1-CG 4.36Å; V57-F62 HydrophobicContact CG1-CZ 4.17Å; V57-V83 WeakPolarHBondContact O-CA 3.32Å; V57-L84 HydrophobicContact CB-CB 4.24Å; V57-L84 HydrophobicContact CB-CD2 4.49Å; V57-L84 HydrophobicContact CG2-CD2 4.4Å; V57-L84 PolarHBondContact N-O 2.75Å; V57-L84 PolarHBondContact O-N 2.86Å
58V98.6Very high97.6Very high12 Ų1278.1 Ų78.17%0.07341%0.406CS..EExtended strand (participates in β ladder)trans-126.1133.5174.3179.30000107.5M29 E35 V38 A39 I42 R81 A82 V83M29-V58 HydrophobicContact CE-CG1 4.34Å; E35-V58 HydrophobicContact CB-CB 4.32Å; E35-V58 HydrophobicContact CB-CG1 4.22Å; E35-V58 HydrophobicContact CG-CG1 4.28Å; V38-V58 HydrophobicContact CB-CG1 4.48Å; V38-V58 HydrophobicContact CB-CG2 4.42Å; V38-V58 HydrophobicContact CG1-CG1 4.24Å; V38-V58 HydrophobicContact CG1-CG2 4Å; A39-V58 HydrophobicContact CB-CB 4.28Å; A39-V58 HydrophobicContact CB-CG2 3.83Å; I42-V58 HydrophobicContact CD1-CG2 4.19Å; V58-R81 HydrophobicContact CG1-CB 4.48Å; V58-A82 VanDerWaalsContact CA-O 3.31Å; V58-A82 WeakPolarHBondContact CA-O 3.25Å; V58-V83 HydrophobicContact CG2-CG1 4.41Å; V58-V83 HydrophobicContact CG2-CG2 4.3Å
59G98Very high97.6Very high6 Ų672.9 Ų72.96%0.06239%0.388CS..EExtended strand (participates in β ladder)trans-175.4155.9-178.900000113.8E35 A82E35-G59 WeakPolarHBondContact OE1-CA 3.47Å; G59-A82 PolarHBondContact N-O 3.07Å; G59-A82 WeakPolarHBondContact O-CB 3.43Å; G59-A82 PolarHBondContact O-N 2.95Å
60K96.8Very high97.5Very high90 Ų9074.4 Ų74.439%0.39140%0.404SS..SBendtrans-76.8-36.3170.5-57.1-165.3-174.8-1650113.1E35 D80 R81E35-K60 PolarHBondContact OE1-N 3.29Å; K60-D80 WeakPolarHBondContact CE-OD2 3.44Å; K60-D80 IonicContact NZ-OD2 3.88Å; K60-D80 PolarHBondContact NZ-OD2 2.81Å; K60-R81 HydrophobicContact CG-CG 4.41Å
61H95.2Very high97.5Very high181 Ų18176 Ų7684%0.83842%0.417SS*.SBendtrans-138102-174.1-55.7-57.8000110.7
62F97.9Very high97.6Very high60 Ų6073.8 Ų73.826%0.26340%0.402SS..  trans-153.1152.717166.5-87.3000110.9V57 Y75 A82 L84V57-F62 HydrophobicContact CG1-CD1 4.45Å; V57-F62 HydrophobicContact CG1-CD2 4.19Å; V57-F62 HydrophobicContact CG1-CE1 4.35Å; V57-F62 HydrophobicContact CG1-CE2 4.1Å; V57-F62 HydrophobicContact CG1-CG 4.36Å; V57-F62 HydrophobicContact CG1-CZ 4.17Å; F62-Y75 HydrophobicContact CE2-CE2 4.34Å; F62-Y75 AromaticContact CZ-CE2 3.98Å; F62-Y75 HydrophobicContact CZ-CE2 3.98Å; F62-A82 HydrophobicContact CD1-CB 4.46Å; F62-A82 HydrophobicContact CE1-CB 3.44Å; F62-A82 VanDerWaalsContact CE1-CB 3.44Å; F62-A82 HydrophobicContact CZ-CB 3.78Å; F62-L84 HydrophobicContact CE2-CB 4.02Å; F62-L84 HydrophobicContact CE2-CD2 4.25Å; F62-L84 HydrophobicContact CZ-CB 4.03Å
63G97Very high97.6Very high75 Ų7571.2 Ų71.277%0.77338%0.383SS*.  trans-110.8152.3162.100000109
64S97Very high97.7Very high67 Ų6767.6 Ų67.647%0.46936%0.364SS..  trans-142.8147.617968.70000110.8L84S64-L84 WeakPolarHBondContact OG-CD2 3.45Å
65Y97.4Very high97.7Very high232 Ų23270 Ų7091%0.9137%0.373SS*.  trans-135.299.3170.8-164.2-81.4000106.7
66V97.6Very high97.7Very high51 Ų5166.7 Ų66.731%0.30936%0.358SS..  trans-126.8145.1-170.1-60.20000110.8F73 F86V66-F73 HydrophobicContact CG2-CE2 4.07Å; V66-F86 HydrophobicContact CB-CE1 4.28Å; V66-F86 HydrophobicContact CB-CE2 4.06Å; V66-F86 HydrophobicContact CB-CZ 3.93Å; V66-F86 HydrophobicContact CG1-CE1 4Å; V66-F86 HydrophobicContact CG1-CE2 4.38Å; V66-F86 HydrophobicContact CG1-CZ 3.76Å; V66-F86 HydrophobicContact CG2-CD1 4.21Å; V66-F86 HydrophobicContact CG2-CD2 4.41Å; V66-F86 HydrophobicContact CG2-CE1 4.2Å; V66-F86 HydrophobicContact CG2-CE2 4.4Å; V66-F86 HydrophobicContact CG2-CG 4.32Å; V66-F86 HydrophobicContact CG2-CZ 4.29Å
67T97.9Very high97.7Very high116 Ų11668.8 Ų68.871%0.71236%0.363SS*.  trans-95.9139.8166.1-55.20000108.3
68H97.8Very high97.5Very high63 Ų6366 Ų6629%0.29235%0.346SS..  trans-137.9158.3-179.659.1-88.4000111.3D12 F73 F86 K87D12-H68 IonicContact OD2-NE2 3.54Å; H68-F73 HydrophobicContact CB-CB 4.44Å; H68-F73 HydrophobicContact CB-CD2 4.39Å; H68-F73 WeakPolarHBondContact CD2-CB 3.43Å; H68-F73 AromaticContact CE1-CD2 3.66Å; H68-F73 AromaticContact CE1-CG 3.75Å; H68-F73 AromaticContact CG-CD2 3.81Å; H68-F73 AromaticContact ND1-CD2 3.44Å; H68-F73 WeakPolarHBondContact ND1-CD2 3.4Å; H68-F73 AromaticContact ND1-CG 3.93Å; H68-F73 WeakPolarHBondContact NE2-CB 3.3Å; H68-F73 AromaticContact NE2-CG 3.83Å; H68-F86 HydrophobicContact CB-CB 3.9Å; H68-F86 HydrophobicContact CB-CD2 4.02Å; H68-F86 HydrophobicContact CB-CG 4.38Å; H68-K87 CarbonylContact C-O 3.5Å; H68-K87 VanDerWaalsContact CA-O 3.24Å; H68-K87 WeakPolarHBondContact CA-O 3.23Å; H68-K87 WeakPolarHBondContact CB-O 2.94Å
69E97.6Very high97.2Very high54 Ų5470.5 Ų70.525%0.25237%0.37SS..  trans-66.6140.6168.8-68.9171.7-132.900110.6N72 K87E69-N72 HydrophobicContact CB-CB 4.46Å; E69-N72 PolarHBondContact O-N 3Å; E69-K87 PolarHBondContact N-O 3.38Å; E69-K87 WeakPolarHBondContact OE1-CG 3.44Å; E69-K87 IonicContact OE1-NZ 3.16Å; E69-K87 WeakPolarHBondContact OE2-CD 3.34Å; E69-K87 WeakPolarHBondContact OE2-CE 3.33Å; E69-K87 IonicContact OE2-NZ 3.7Å; E69-K87 PolarHBondContact OE2-NZ 2.93Å
70T96.8Very high96.9Very high105 Ų10574.2 Ų74.264%0.64439%0.388SS*.THydrogen-bonded Turntrans-53.4142.4177.8-51.10000111.9N72T70-N72 PolarHBondContact O-N 3.25Å; T70-N72 PolarHBondContact O-ND2 3.31Å
71N97Very high96.9Very high101 Ų10172.3 Ų72.354%0.5438%0.378SS..THydrogen-bonded Turntrans62.718.2-179.3-56.4-51.8000115D12 M13D12-N71 CarbonylContact O-C 3.46Å; D12-N71 WeakPolarHBondContact O-CA 3.36Å; D12-N71 PolarHBondContact OD2-N 3.16Å; M13-N71 VanDerWaalsContact CB-O 3.31Å; M13-N71 WeakPolarHBondContact CB-O 3.41Å
72N98.1Very high97Very high36 Ų3663.7 Ų63.719%0.19334%0.339CS..  trans-132.546.4-178.6-65.2-86.4000113D12 W54 E69 T70 F86 K87D12-N72 PolarHBondContact O-N 2.89Å; W54-N72 HydrophobicContact CH2-CB 3.91Å; W54-N72 HydrophobicContact CZ2-CB 4.32Å; W54-N72 WeakPolarHBondContact CZ2-OD1 3.19Å; W54-N72 HydrophobicContact CZ3-CB 4.42Å; E69-N72 HydrophobicContact CB-CB 4.46Å; E69-N72 PolarHBondContact O-N 3Å; T70-N72 PolarHBondContact O-N 3.25Å; T70-N72 PolarHBondContact O-ND2 3.31Å; N72-F86 CarbonylContact O-C 3.5Å; N72-F86 WeakPolarHBondContact O-CA 3.49Å; N72-K87 HydrophobicContact CB-CB 3.46Å; N72-K87 VanDerWaalsContact CB-CB 3.46Å; N72-K87 HydrophobicContact CB-CD 4.32Å; N72-K87 PolarHBondContact O-N 2.85Å
73F98.6Very high97Very high19 Ų1960.8 Ų60.88%0.08333%0.326CS..EExtended strand (participates in β ladder)trans-138.5137.2178.3174.1-79.8000112.7N10 A11 D12 V66 H68 L84 F86N10-F73 HydrophobicContact CB-CE1 4.06Å; A11-F73 CarbonylContact C-O 3.55Å; A11-F73 WeakPolarHBondContact CA-O 3.3Å; D12-F73 CarbonylContact C-O 3.6Å; D12-F73 HydrophobicContact CB-CB 4.28Å; D12-F73 PolarHBondContact N-O 2.93Å; D12-F73 PolarHBondContact O-N 3.17Å; V66-F73 HydrophobicContact CG2-CE2 4.07Å; H68-F73 HydrophobicContact CB-CB 4.44Å; H68-F73 HydrophobicContact CB-CD2 4.39Å; H68-F73 WeakPolarHBondContact CD2-CB 3.43Å; H68-F73 AromaticContact CE1-CD2 3.66Å; H68-F73 AromaticContact CE1-CG 3.75Å; H68-F73 AromaticContact CG-CD2 3.81Å; H68-F73 AromaticContact ND1-CD2 3.44Å; H68-F73 WeakPolarHBondContact ND1-CD2 3.4Å; H68-F73 AromaticContact ND1-CG 3.93Å; H68-F73 WeakPolarHBondContact NE2-CB 3.3Å; H68-F73 AromaticContact NE2-CG 3.83Å; F73-L84 HydrophobicContact CD2-CD1 4.28Å; F73-L84 HydrophobicContact CE2-CD1 3.43Å; F73-L84 VanDerWaalsContact CE2-CD1 3.43Å; F73-L84 HydrophobicContact CZ-CD1 3.68Å; F73-F86 HydrophobicContact CB-CB 4.39Å; F73-F86 HydrophobicContact CD2-CB 3.74Å; F73-F86 HydrophobicContact CG-CB 4.47Å
74I98.7Very high97.1Very high0 Ų057.3 Ų57.30%029%0.289CS..EExtended strand (participates in β ladder)trans-147.5139.8169.2-166.3-178.7000111.3A11 M13 Q18 A21 F76 L85A11-I74 HydrophobicContact CB-CB 4.49Å; A11-I74 HydrophobicContact CB-CG1 4.01Å; M13-I74 HydrophobicContact CE-CG2 4.49Å; M13-I74 HydrophobicContact CG-CB 4.48Å; M13-I74 HydrophobicContact SD-CB 3.87Å; M13-I74 HydrophobicContact SD-CD1 4.32Å; M13-I74 HydrophobicContact SD-CG2 4.11Å; Q18-I74 HydrophobicContact CB-CD1 3.85Å; Q18-I74 HydrophobicContact CG-CD1 3.95Å; A21-I74 HydrophobicContact CB-CD1 4.13Å; A21-I74 HydrophobicContact CB-CG2 4.03Å; I74-F76 HydrophobicContact CD1-CD1 3.77Å; I74-F76 HydrophobicContact CD1-CE1 4.11Å; I74-F76 HydrophobicContact CG1-CD1 3.83Å; I74-F76 HydrophobicContact CG1-CE1 4.42Å; I74-F76 HydrophobicContact CG2-CD1 4.23Å; I74-F76 HydrophobicContact CG2-CE1 4.08Å; I74-L85 HydrophobicContact CG2-CB 3.8Å; I74-L85 HydrophobicContact CG2-CD2 4.14Å; I74-L85 HydrophobicContact CG2-CG 4.32Å; I74-L85 PolarHBondContact N-O 3.01Å; I74-L85 PolarHBondContact O-N 3.37Å
75Y98.6Very high97.2Very high50 Ų5054.1 Ų54.120%0.19627%0.267CS..EExtended strand (participates in β ladder)trans-132.2118.9173.5176-122.4000109.8K9 N10 F62 Y77 A82 V83 L84K9-Y75 HydrophobicContact CB-CD1 3.49Å; K9-Y75 VanDerWaalsContact CB-CD1 3.49Å; K9-Y75 HydrophobicContact CB-CE1 3.75Å; K9-Y75 HydrophobicContact CB-CG 4.43Å; K9-Y75 HydrophobicContact CG-CD1 4.18Å; K9-Y75 HydrophobicContact CG-CE1 4Å; K9-Y75 PolarHBondContact N-O 3.43Å; N10-Y75 PolarHBondContact N-O 2.81Å; N10-Y75 VanDerWaalsContact N-O 3.08Å; N10-Y75 PolarHBondContact O-N 2.9Å; F62-Y75 HydrophobicContact CE2-CE2 4.34Å; F62-Y75 AromaticContact CZ-CE2 3.98Å; F62-Y75 HydrophobicContact CZ-CE2 3.98Å; Y75-Y77 HydrophobicContact CE1-CE2 4.31Å; Y75-Y77 AromaticContact CZ-CE2 3.82Å; Y75-Y77 VanDerWaalsContact OH-CE2 3.29Å; Y75-Y77 WeakPolarHBondContact OH-CE2 3.48Å; Y75-Y77 PolarHBondContact OH-OH 3.31Å; Y75-A82 HydrophobicContact CE2-CB 3.79Å; Y75-V83 WeakPolarHBondContact CA-O 3.33Å; Y75-V83 WeakPolarHBondContact CD2-O 3.32Å; Y75-L84 HydrophobicContact CD2-CB 4.09Å; Y75-L84 HydrophobicContact CD2-CD1 4.44Å
76F98.4Very high97.3Very high0 Ų044 Ų440%023%0.228CC..EExtended strand (participates in β ladder)trans-148.9163.5-175.364.8-81.3000112V7 I8 A21 V22 A25 I74 L78 A82 V83V7-F76 CarbonylContact O-C 3.56Å; V7-F76 VanDerWaalsContact O-CA 3.3Å; V7-F76 WeakPolarHBondContact O-CA 3.21Å; I8-F76 HydrophobicContact CB-CB 4.39Å; I8-F76 HydrophobicContact CG1-CB 4.13Å; A21-F76 HydrophobicContact CB-CE1 4.33Å; V22-F76 HydrophobicContact CG2-CD2 4.08Å; V22-F76 HydrophobicContact CG2-CE2 3.98Å; V22-F76 HydrophobicContact CG2-CZ 4.32Å; A25-F76 HydrophobicContact CB-CE2 3.92Å; A25-F76 HydrophobicContact CB-CZ 3.62Å; I74-F76 HydrophobicContact CD1-CD1 3.77Å; I74-F76 HydrophobicContact CD1-CE1 4.11Å; I74-F76 HydrophobicContact CG1-CD1 3.83Å; I74-F76 HydrophobicContact CG1-CE1 4.42Å; I74-F76 HydrophobicContact CG2-CD1 4.23Å; I74-F76 HydrophobicContact CG2-CE1 4.08Å; F76-L78 HydrophobicContact CD2-CG 4.03Å; F76-L78 HydrophobicContact CE2-CD1 3.78Å; F76-L78 HydrophobicContact CE2-CD2 4.41Å; F76-L78 HydrophobicContact CE2-CG 3.76Å; F76-A82 CarbonylContact O-C 3.57Å; F76-A82 WeakPolarHBondContact O-CA 3.33Å; F76-V83 HydrophobicContact CD1-CB 4.17Å; F76-V83 HydrophobicContact CD2-CB 4.39Å; F76-V83 HydrophobicContact CE1-CB 3.79Å; F76-V83 HydrophobicContact CE1-CG1 3.72Å; F76-V83 HydrophobicContact CE2-CB 4.01Å; F76-V83 HydrophobicContact CE2-CG1 4.5Å; F76-V83 HydrophobicContact CE2-CG2 4.06Å; F76-V83 HydrophobicContact CG-CB 4.48Å; F76-V83 HydrophobicContact CZ-CB 3.71Å; F76-V83 HydrophobicContact CZ-CG1 3.73Å; F76-V83 HydrophobicContact CZ-CG2 4.09Å; F76-V83 PolarHBondContact N-O 3.05Å; F76-V83 PolarHBondContact O-N 2.83Å
77Y97.7Very high97.3Very high68 Ų6842.8 Ų42.827%0.26722%0.219SC..EExtended strand (participates in β ladder)trans-107.8141.2172.1-80.1-101.1000110.9A6 V7 K9 Y75 R81 A82A6-Y77 WeakPolarHBondContact CA-O 3.36Å; V7-Y77 PolarHBondContact N-O 3.41Å; V7-Y77 PolarHBondContact O-N 3.23Å; K9-Y77 HydrophobicContact CG-CD2 3.85Å; K9-Y77 HydrophobicContact CG-CE2 4.11Å; Y75-Y77 HydrophobicContact CE1-CE2 4.31Å; Y75-Y77 AromaticContact CZ-CE2 3.82Å; Y75-Y77 VanDerWaalsContact OH-CE2 3.29Å; Y75-Y77 WeakPolarHBondContact OH-CE2 3.48Å; Y75-Y77 PolarHBondContact OH-OH 3.31Å; Y77-R81 WeakPolarHBondContact CA-O 3.37Å; Y77-A82 HydrophobicContact CD1-CB 4.04Å; Y77-A82 HydrophobicContact CD2-CB 4.34Å; Y77-A82 HydrophobicContact CE1-CB 3.64Å; Y77-A82 HydrophobicContact CE2-CB 3.98Å; Y77-A82 HydrophobicContact CG-CB 4.37Å
78L96Very high97.3Very high0 Ų039.4 Ų39.40%020%0.2CC..EExtended strand (participates in β ladder)trans-122.2119.1161.4-69.4173000107.3R4 A6 V22 A25 M29 F76 D80 R81R4-L78 HydrophobicContact CB-CD2 3.85Å; A6-L78 HydrophobicContact CB-CD2 3.76Å; V22-L78 HydrophobicContact CG1-CD2 4.38Å; A25-L78 HydrophobicContact CB-CD1 3.67Å; M29-L78 HydrophobicContact CE-CB 3.95Å; M29-L78 HydrophobicContact CE-CD1 4.05Å; M29-L78 HydrophobicContact SD-CB 3.73Å; M29-L78 HydrophobicContact SD-CD1 3.9Å; M29-L78 HydrophobicContact SD-CG 4.49Å; F76-L78 HydrophobicContact CD2-CG 4.03Å; F76-L78 HydrophobicContact CE2-CD1 3.78Å; F76-L78 HydrophobicContact CE2-CD2 4.41Å; F76-L78 HydrophobicContact CE2-CG 3.76Å; L78-D80 PolarHBondContact O-N 2.78Å; L78-R81 PolarHBondContact N-O 3.48Å; L78-R81 PolarHBondContact O-N 3.47Å
79D90.6Very high97Very high106 Ų10641.3 Ų41.357%0.56724%0.236SC*.THydrogen-bonded Turntrans52.6-115.9-172.2-54-37.3000111.6R4R4-D79 WeakPolarHBondContact CD-OD2 3.38Å; R4-D79 IonicContact NE-OD2 2.73Å; R4-D79 PolarHBondContact NE-OD2 3.12Å
80D92.8Very high96.9Very high85 Ų8540.7 Ų40.746%0.45524%0.236SC..THydrogen-bonded Turntrans-101.17.1179.571.5-18.4000113.8K60 L78K60-D80 WeakPolarHBondContact CE-OD2 3.44Å; K60-D80 IonicContact NZ-OD2 3.88Å; K60-D80 PolarHBondContact NZ-OD2 2.81Å; L78-D80 PolarHBondContact O-N 2.78Å
81R95.7Very high97Very high49 Ų4937.3 Ų37.319%0.18521%0.214CC..EExtended strand (participates in β ladder)trans-111.9127.6-177.5-63.6176.2-176.2-168.5-8.4110.9M29 D33 V58 K60 Y77 L78M29-R81 HydrophobicContact CE-CB 3.77Å; D33-R81 PolarHBondContact O-NH1 2.8Å; D33-R81 PolarHBondContact O-NH2 2.91Å; V58-R81 HydrophobicContact CG1-CB 4.48Å; K60-R81 HydrophobicContact CG-CG 4.41Å; Y77-R81 WeakPolarHBondContact CA-O 3.37Å; L78-R81 PolarHBondContact N-O 3.48Å; L78-R81 PolarHBondContact O-N 3.47Å
82A98.1Very high97Very high0 Ų033.8 Ų33.80%020%0.196CC..EExtended strand (participates in β ladder)trans-82.8142.616800000110.7V58 G59 F62 Y75 F76 Y77V58-A82 VanDerWaalsContact CA-O 3.31Å; V58-A82 WeakPolarHBondContact CA-O 3.25Å; G59-A82 PolarHBondContact N-O 3.07Å; G59-A82 WeakPolarHBondContact O-CB 3.43Å; G59-A82 PolarHBondContact O-N 2.95Å; F62-A82 HydrophobicContact CD1-CB 4.46Å; F62-A82 HydrophobicContact CE1-CB 3.44Å; F62-A82 VanDerWaalsContact CE1-CB 3.44Å; F62-A82 HydrophobicContact CZ-CB 3.78Å; Y75-A82 HydrophobicContact CE2-CB 3.79Å; F76-A82 CarbonylContact O-C 3.57Å; F76-A82 WeakPolarHBondContact O-CA 3.33Å; Y77-A82 HydrophobicContact CD1-CB 4.04Å; Y77-A82 HydrophobicContact CD2-CB 4.34Å; Y77-A82 HydrophobicContact CE1-CB 3.64Å; Y77-A82 HydrophobicContact CE2-CB 3.98Å; Y77-A82 HydrophobicContact CG-CB 4.37Å
83V98.6Very high96.9Very high0 Ų033.6 Ų33.60%020%0.196CC..EExtended strand (participates in β ladder)trans-121.6119.6172.6-176.30000107.9A25 M29 I42 V57 V58 Y75 F76A25-V83 HydrophobicContact CB-CG2 4.34Å; M29-V83 HydrophobicContact CE-CG2 3.69Å; I42-V83 HydrophobicContact CD1-CG1 4.05Å; V57-V83 WeakPolarHBondContact O-CA 3.32Å; V58-V83 HydrophobicContact CG2-CG1 4.41Å; V58-V83 HydrophobicContact CG2-CG2 4.3Å; Y75-V83 WeakPolarHBondContact CA-O 3.33Å; Y75-V83 WeakPolarHBondContact CD2-O 3.32Å; F76-V83 HydrophobicContact CD1-CB 4.17Å; F76-V83 HydrophobicContact CD2-CB 4.39Å; F76-V83 HydrophobicContact CE1-CB 3.79Å; F76-V83 HydrophobicContact CE1-CG1 3.72Å; F76-V83 HydrophobicContact CE2-CB 4.01Å; F76-V83 HydrophobicContact CE2-CG1 4.5Å; F76-V83 HydrophobicContact CE2-CG2 4.06Å; F76-V83 HydrophobicContact CG-CB 4.48Å; F76-V83 HydrophobicContact CZ-CB 3.71Å; F76-V83 HydrophobicContact CZ-CG1 3.73Å; F76-V83 HydrophobicContact CZ-CG2 4.09Å; F76-V83 PolarHBondContact N-O 3.05Å; F76-V83 PolarHBondContact O-N 2.83Å
84L98.7Very high96.8Very high1 Ų134.6 Ų34.61%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-109.5121.4169.3170.167.1000107.7C56 V57 F62 S64 F73 Y75 F86C56-L84 CarbonylContact C-O 2.86Å; C56-L84 VanDerWaalsContact CA-O 3.3Å; C56-L84 WeakPolarHBondContact CA-O 3.08Å; V57-L84 HydrophobicContact CB-CB 4.24Å; V57-L84 HydrophobicContact CB-CD2 4.49Å; V57-L84 HydrophobicContact CG2-CD2 4.4Å; V57-L84 PolarHBondContact N-O 2.75Å; V57-L84 PolarHBondContact O-N 2.86Å; F62-L84 HydrophobicContact CE2-CB 4.02Å; F62-L84 HydrophobicContact CE2-CD2 4.25Å; F62-L84 HydrophobicContact CZ-CB 4.03Å; S64-L84 WeakPolarHBondContact OG-CD2 3.45Å; F73-L84 HydrophobicContact CD2-CD1 4.28Å; F73-L84 HydrophobicContact CE2-CD1 3.43Å; F73-L84 VanDerWaalsContact CE2-CD1 3.43Å; F73-L84 HydrophobicContact CZ-CD1 3.68Å; Y75-L84 HydrophobicContact CD2-CB 4.09Å; Y75-L84 HydrophobicContact CD2-CD1 4.44Å; L84-F86 HydrophobicContact CD1-CD1 4.23Å; L84-F86 HydrophobicContact CD2-CD1 4.27Å; L84-F86 HydrophobicContact CD2-CE1 4.11Å; L84-F86 HydrophobicContact CG-CD1 3.92Å; L84-F86 HydrophobicContact CG-CE1 4.22Å
85L98.8Very high96.7Very high0 Ų036.9 Ų36.90%022%0.217CC..EExtended strand (participates in β ladder)trans-133122.7-178.4175.865.6000108.7A21 I42 F46 W54 H55 C56 I74A21-L85 HydrophobicContact CB-CD2 4.06Å; I42-L85 HydrophobicContact CG2-CD1 3.95Å; I42-L85 HydrophobicContact CG2-CD2 3.83Å; I42-L85 HydrophobicContact CG2-CG 4.44Å; F46-L85 HydrophobicContact CB-CD1 4.49Å; F46-L85 HydrophobicContact CD1-CD2 3.67Å; F46-L85 HydrophobicContact CD1-CG 4.36Å; F46-L85 HydrophobicContact CD2-CD2 3.83Å; F46-L85 HydrophobicContact CE1-CD2 3.59Å; F46-L85 HydrophobicContact CE2-CD2 3.77Å; F46-L85 HydrophobicContact CG-CD1 4.33Å; F46-L85 HydrophobicContact CG-CD2 3.8Å; F46-L85 HydrophobicContact CZ-CD2 3.67Å; W54-L85 HydrophobicContact CB-CD1 4.43Å; W54-L85 HydrophobicContact CD2-CD1 4.44Å; W54-L85 HydrophobicContact CE3-CD1 3.64Å; W54-L85 HydrophobicContact CE3-CD2 4.38Å; W54-L85 HydrophobicContact CE3-CG 3.68Å; W54-L85 HydrophobicContact CZ3-CD1 4.34Å; W54-L85 HydrophobicContact CZ3-CD2 4.36Å; W54-L85 HydrophobicContact CZ3-CG 3.86Å; H55-L85 WeakPolarHBondContact O-CA 3.42Å; H55-L85 WeakPolarHBondContact O-CD1 3.44Å; C56-L85 HydrophobicContact CB-CD1 4.03Å; I74-L85 HydrophobicContact CG2-CB 3.8Å; I74-L85 HydrophobicContact CG2-CD2 4.14Å; I74-L85 HydrophobicContact CG2-CG 4.32Å; I74-L85 PolarHBondContact N-O 3.01Å; I74-L85 PolarHBondContact O-N 3.37Å
86F98.7Very high96.5Very high21 Ų2135.9 Ų35.99%0.09222%0.218CC..EExtended strand (participates in β ladder)trans-151154.4-177.566.3-81.9000112W54 H55 V66 H68 N72 F73 L84W54-F86 CarbonylContact C-O 3.53Å; H55-F86 HydrophobicContact CB-CD1 4.11Å; H55-F86 HydrophobicContact CB-CD2 4.22Å; H55-F86 HydrophobicContact CB-CE1 3.65Å; H55-F86 HydrophobicContact CB-CE2 3.77Å; H55-F86 HydrophobicContact CB-CG 4.38Å; H55-F86 HydrophobicContact CB-CZ 3.47Å; H55-F86 VanDerWaalsContact CB-CZ 3.47Å; H55-F86 AromaticContact CD2-CE2 3.78Å; H55-F86 AromaticContact CG-CE2 3.9Å; H55-F86 AromaticContact CG-CZ 3.96Å; H55-F86 PolarHBondContact N-O 2.79Å; H55-F86 PolarHBondContact O-N 3.43Å; V66-F86 HydrophobicContact CB-CE1 4.28Å; V66-F86 HydrophobicContact CB-CE2 4.06Å; V66-F86 HydrophobicContact CB-CZ 3.93Å; V66-F86 HydrophobicContact CG1-CE1 4Å; V66-F86 HydrophobicContact CG1-CE2 4.38Å; V66-F86 HydrophobicContact CG1-CZ 3.76Å; V66-F86 HydrophobicContact CG2-CD1 4.21Å; V66-F86 HydrophobicContact CG2-CD2 4.41Å; V66-F86 HydrophobicContact CG2-CE1 4.2Å; V66-F86 HydrophobicContact CG2-CE2 4.4Å; V66-F86 HydrophobicContact CG2-CG 4.32Å; V66-F86 HydrophobicContact CG2-CZ 4.29Å; H68-F86 HydrophobicContact CB-CB 3.9Å; H68-F86 HydrophobicContact CB-CD2 4.02Å; H68-F86 HydrophobicContact CB-CG 4.38Å; N72-F86 CarbonylContact O-C 3.5Å; N72-F86 WeakPolarHBondContact O-CA 3.49Å; F73-F86 HydrophobicContact CB-CB 4.39Å; F73-F86 HydrophobicContact CD2-CB 3.74Å; F73-F86 HydrophobicContact CG-CB 4.47Å; L84-F86 HydrophobicContact CD1-CD1 4.23Å; L84-F86 HydrophobicContact CD2-CD1 4.27Å; L84-F86 HydrophobicContact CD2-CE1 4.11Å; L84-F86 HydrophobicContact CG-CD1 3.92Å; L84-F86 HydrophobicContact CG-CE1 4.22Å
87K98.5Very high96.4Very high25 Ų2538.7 Ų38.711%0.10924%0.235CC..EExtended strand (participates in β ladder)trans-101135.8174.5-161.4-173.9171.8-144.20110.7P52 N53 W54 H68 E69 N72P52-K87 WeakPolarHBondContact O-CE 3.24Å; N53-K87 WeakPolarHBondContact O-CG 3.31Å; W54-K87 HydrophobicContact CD2-CB 4.12Å; W54-K87 HydrophobicContact CD2-CG 4.45Å; W54-K87 HydrophobicContact CE3-CB 4.25Å; W54-K87 HydrophobicContact CZ2-CB 4.4Å; W54-K87 HydrophobicContact CZ3-CB 4.46Å; H68-K87 CarbonylContact C-O 3.5Å; H68-K87 VanDerWaalsContact CA-O 3.24Å; H68-K87 WeakPolarHBondContact CA-O 3.23Å; H68-K87 WeakPolarHBondContact CB-O 2.94Å; E69-K87 PolarHBondContact N-O 3.38Å; E69-K87 WeakPolarHBondContact OE1-CG 3.44Å; E69-K87 IonicContact OE1-NZ 3.16Å; E69-K87 WeakPolarHBondContact OE2-CD 3.34Å; E69-K87 WeakPolarHBondContact OE2-CE 3.33Å; E69-K87 IonicContact OE2-NZ 3.7Å; E69-K87 PolarHBondContact OE2-NZ 2.93Å; N72-K87 HydrophobicContact CB-CB 3.46Å; N72-K87 VanDerWaalsContact CB-CB 3.46Å; N72-K87 HydrophobicContact CB-CD 4.32Å; N72-K87 PolarHBondContact O-N 2.85Å
88S96.9Very high96.3Very high45 Ų4536.3 Ų36.332%0.31523%0.232SC..  trans-156.7130.2175.4178.90000109.9N53 H55N53-S88 PolarHBondContact O-N 2.63Å; H55-S88 PolarHBondContact NE2-O 3.18Å
89G91.9Very high96.3Very high103 Ų10339.5 Ų39.5100%1.06225%0.254SS*.  trans144.70177.900000110

Retrieved 89 of 89 residues in 101.9 ms (Link to these results)

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