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Dynein light chain

Acts as a non-catalytic accessory component of a dynein complex.

AlphaFold DB , UniProt , Accession Q94758, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene DLC, 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
1M44.5Very low83.7Confident235 Ų235110.1 Ų110.1100%1.15856%0.564SS**  0124.30-73-171.3-86.800106.5E3M1-E3 PolarHBondContact O-N 3.29Å
2S57.7Low84.9Confident112 Ų112105.1 Ų105.178%0.78354%0.539SS*.  trans-60.8124171.951.60000108R4S2-R4 PolarHBondContact O-N 3.14Å
3E65.2Low85.9Confident192 Ų19298.2 Ų98.290%0.89750%0.503SS*.  trans-57.7110.7170.2-77.2-178158.300108.1M1 K5M1-E3 PolarHBondContact O-N 3.29Å; E3-K5 PolarHBondContact O-N 3Å; E3-K5 VanDerWaalsContact O-N 3.14Å
4R81.8Confident86.8Confident84 Ų8495.7 Ų95.732%0.31750%0.499SS..  trans-66.1115.3173.4-67.7-175.4174.899.35.8107.5S2 A6 D30 L78 D79S2-R4 PolarHBondContact O-N 3.14Å; R4-A6 PolarHBondContact O-N 3.32Å; R4-D30 IonicContact CZ-OD1 3.21Å; R4-D30 IonicContact CZ-OD2 3.81Å; R4-D30 IonicContact NH1-OD1 3Å; R4-D30 PolarHBondContact NH1-OD1 2.85Å; R4-D30 IonicContact NH1-OD2 2.84Å; R4-D30 PolarHBondContact NH1-OD2 2.84Å; R4-D30 IonicContact NH2-OD1 2.63Å; R4-D30 PolarHBondContact NH2-OD1 2.84Å; R4-D30 IonicContact NH2-OD2 3.95Å; R4-L78 HydrophobicContact CB-CD1 3.62Å; R4-L78 HydrophobicContact CB-CG 4.42Å; R4-D79 VanDerWaalsContact CD-OD2 3.3Å; R4-D79 WeakPolarHBondContact CD-OD2 3.34Å; R4-D79 IonicContact NE-OD2 3.09Å; R4-D79 PolarHBondContact NE-OD2 3.45Å; R4-D79 VanDerWaalsContact NE-OD2 3.09Å
5K88.2Confident87.5Confident174 Ų17499.6 Ų99.676%0.75751%0.514SS*.  trans-83.3107.3179.7-172.1175.6-179.1176.80109.5E3E3-K5 PolarHBondContact O-N 3Å; E3-K5 VanDerWaalsContact O-N 3.14Å
6A95.9Very high88.1Confident27 Ų27102.1 Ų102.122%0.22352%0.523CS..  trans-71.1141.9168.900000110.8R4 I22 F76 Y77 L78R4-A6 PolarHBondContact O-N 3.32Å; A6-I22 HydrophobicContact CB-CB 4.4Å; A6-I22 HydrophobicContact CB-CD1 3.64Å; A6-I22 HydrophobicContact CB-CG1 3.8Å; A6-I22 HydrophobicContact CB-CG2 3.67Å; A6-F76 HydrophobicContact CB-CD2 4.48Å; A6-Y77 CarbonylContact C-O 3.56Å; A6-Y77 WeakPolarHBondContact CA-O 3.35Å; A6-L78 HydrophobicContact CB-CD1 4.08Å
7V97.1Very high88.7Confident63 Ų6397.4 Ų97.438%0.38250%0.498SS..EExtended strand (participates in β ladder)trans-12199.8172.5-178.90000108.5K9 F76 Y77V7-K9 HydrophobicContact CG1-CD 4.31Å; V7-K9 PolarHBondContact O-N 2.84Å; V7-F76 CarbonylContact O-C 3.57Å; V7-F76 WeakPolarHBondContact O-CA 3.34Å; V7-Y77 PolarHBondContact N-O 2.7Å; V7-Y77 PolarHBondContact O-N 2.63Å
8I97.8Very high89.3Confident68 Ų6893.8 Ų93.835%0.34948%0.479SS..EExtended strand (participates in β ladder)trans-71.3126.5175.6-53.7-179.6000108.6A11 Q18 I22 I74 F76I8-A11 HydrophobicContact CG2-CB 4.04Å; I8-Q18 HydrophobicContact CD1-CB 4.24Å; I8-I22 HydrophobicContact CD1-CD1 4.03Å; I8-I22 HydrophobicContact CG1-CD1 4.22Å; I8-I74 HydrophobicContact CG2-CG1 4.46Å; I8-F76 HydrophobicContact CB-CB 4.44Å; I8-F76 HydrophobicContact CG1-CB 4.2Å
9K97.4Very high89.7Confident127 Ų12796.1 Ų96.155%0.55249%0.488SS*.EExtended strand (participates in β ladder)trans-100.4-37.9178.8-66.8-60.5-175.6-176.60111.7V7 Y75 Y77V7-K9 HydrophobicContact CG1-CD 4.31Å; V7-K9 PolarHBondContact O-N 2.84Å; K9-Y75 HydrophobicContact CB-CD1 3.49Å; K9-Y75 VanDerWaalsContact CB-CD1 3.49Å; K9-Y75 HydrophobicContact CB-CE1 3.82Å; K9-Y75 HydrophobicContact CB-CG 4.42Å; K9-Y75 HydrophobicContact CG-CD1 4.16Å; K9-Y75 HydrophobicContact CG-CE1 4.03Å; K9-Y75 PolarHBondContact N-O 3Å; K9-Y77 HydrophobicContact CD-CD2 4.43Å; K9-Y77 HydrophobicContact CG-CD2 3.73Å; K9-Y77 HydrophobicContact CG-CE2 3.93Å
10N97.7Very high90.1Very high96 Ų9692.8 Ų92.851%0.51347%0.471SS..EExtended strand (participates in β ladder)trans-155.5145.4174.3-164.68.5000109.6F73 Y75N10-F73 HydrophobicContact CB-CE1 4.18Å; N10-Y75 PolarHBondContact N-O 3.09Å; N10-Y75 VanDerWaalsContact N-O 3.08Å; N10-Y75 PolarHBondContact O-N 2.95Å
11A98Very high90.5Very high33 Ų3388.3 Ų88.327%0.27345%0.449SS..EExtended strand (participates in β ladder)trans-153.1137.5176.900000110.4I8 Q18 F73 I74I8-A11 HydrophobicContact CG2-CB 4.04Å; A11-Q18 HydrophobicContact CB-CG 4.25Å; A11-F73 CarbonylContact C-O 3.59Å; A11-F73 WeakPolarHBondContact CA-O 3.3Å; A11-I74 HydrophobicContact CB-CG1 4.06Å
12D98.1Very high93.1Very high50 Ų5078.9 Ų78.927%0.26740%0.402SS..EExtended strand (participates in β ladder)trans-127.781.7162.4175.326.5000106.7H71 N72 F73D12-H71 VanDerWaalsContact CG-N 3.33Å; D12-H71 CarbonylContact O-C 2.88Å; D12-H71 WeakPolarHBondContact O-CA 3.49Å; D12-H71 IonicContact OD1-CE1 3.1Å; D12-H71 IonicContact OD1-CG 3.1Å; D12-H71 PolarHBondContact OD1-N 3.08Å; D12-H71 IonicContact OD1-ND1 2.74Å; D12-H71 PolarHBondContact OD1-ND1 3.14Å; D12-H71 PolarHBondContact OD2-N 2.97Å; D12-N72 PolarHBondContact O-N 3.29Å; D12-F73 CarbonylContact C-O 3.46Å; D12-F73 HydrophobicContact CB-CB 4.39Å; D12-F73 PolarHBondContact N-O 3.33Å; D12-F73 PolarHBondContact O-N 3.12Å
13M97.9Very high94.9Very high15 Ų1580.3 Ų80.37%0.07440%0.396CS..SBendtrans-171.7167.7174.853.717051.900109.7M17 Q18 W54 H71 I74M13-M17 HydrophobicContact CB-CB 4.38Å; M13-M17 HydrophobicContact CB-SD 3.97Å; M13-M17 HydrophobicContact CE-CG 4Å; M13-M17 HydrophobicContact CE-SD 3.56Å; M13-M17 VanDerWaalsContact CE-SD 3.56Å; M13-M17 HydrophobicContact SD-CB 3.99Å; M13-M17 HydrophobicContact SD-CG 3.72Å; M13-M17 HydrophobicContact SD-SD 3.97Å; M13-Q18 HydrophobicContact CG-CG 3.64Å; M13-Q18 PolarHBondContact O-NE2 2.78Å; M13-Q18 HydrophobicContact SD-CG 3.94Å; M13-W54 HydrophobicContact CE-CH2 3.8Å; M13-W54 HydrophobicContact CE-CZ3 3.91Å; M13-H71 WeakPolarHBondContact CB-O 3.35Å; M13-I74 HydrophobicContact CE-CB 4.12Å; M13-I74 HydrophobicContact CE-CG2 4.02Å; M13-I74 HydrophobicContact CG-CB 4.41Å; M13-I74 HydrophobicContact SD-CB 3.76Å; M13-I74 HydrophobicContact SD-CD1 4.35Å; M13-I74 HydrophobicContact SD-CG2 3.94Å
14S97.8Very high96.5Very high64 Ų6472.2 Ų72.245%0.44836%0.359SS..  trans-65.3152.2179.163.60000112.7E16 M17 Q18S14-E16 VanDerWaalsContact C-N 3.26Å; S14-E16 PolarHBondContact O-N 2.74Å; S14-M17 PolarHBondContact O-N 3.4Å; S14-M17 WeakPolarHBondContact OG-CB 3.37Å; S14-M17 PolarHBondContact OG-N 3.3Å; S14-Q18 WeakPolarHBondContact O-CG 3.41Å; S14-Q18 PolarHBondContact O-N 3.48Å
15E97.8Very high97.3Very high154 Ų15468.2 Ų68.272%0.7234%0.344SS*.Hα-helixtrans-56.3-40.5176.8-67.5-175.1166.800112M17 Q18 E19E15-M17 VanDerWaalsContact C-N 3.33Å; E15-M17 PolarHBondContact O-N 3.21Å; E15-Q18 WeakPolarHBondContact O-CB 3.48Å; E15-Q18 PolarHBondContact O-N 2.85Å; E15-Q18 VanDerWaalsContact O-N 3.11Å; E15-E19 WeakPolarHBondContact O-CG 3.37Å; E15-E19 PolarHBondContact O-N 2.79Å
16E97.7Very high97.7Very high139 Ų13960.8 Ų60.865%0.6532%0.315SS*.Hα-helixtrans-57.7-43.6174.7-174.8-177.6179.800112.1S14 Q18 E19 D20S14-E16 VanDerWaalsContact C-N 3.26Å; S14-E16 PolarHBondContact O-N 2.74Å; E16-Q18 VanDerWaalsContact C-N 3.33Å; E16-Q18 PolarHBondContact O-N 3.35Å; E16-E19 PolarHBondContact O-N 2.96Å; E16-D20 PolarHBondContact O-N 3.03Å
17M98.2Very high97.7Very high22 Ų2260.7 Ų60.711%0.10832%0.316CS..Hα-helixtrans-70.4-31.7178-166.9-179.2-66.400111.8M13 S14 E15 A21 F46 Y50 W54M13-M17 HydrophobicContact CB-CB 4.38Å; M13-M17 HydrophobicContact CB-SD 3.97Å; M13-M17 HydrophobicContact CE-CG 4Å; M13-M17 HydrophobicContact CE-SD 3.56Å; M13-M17 VanDerWaalsContact CE-SD 3.56Å; M13-M17 HydrophobicContact SD-CB 3.99Å; M13-M17 HydrophobicContact SD-CG 3.72Å; M13-M17 HydrophobicContact SD-SD 3.97Å; S14-M17 PolarHBondContact O-N 3.4Å; S14-M17 WeakPolarHBondContact OG-CB 3.37Å; S14-M17 PolarHBondContact OG-N 3.3Å; E15-M17 VanDerWaalsContact C-N 3.33Å; E15-M17 PolarHBondContact O-N 3.21Å; M17-A21 WeakPolarHBondContact O-CB 3.35Å; M17-A21 PolarHBondContact O-N 2.91Å; M17-F46 HydrophobicContact CG-CE1 3.94Å; M17-F46 HydrophobicContact SD-CE1 4.44Å; M17-Y50 HydrophobicContact CE-CD1 3.6Å; M17-Y50 HydrophobicContact CE-CE1 3.64Å; M17-Y50 HydrophobicContact CE-CG 4.13Å; M17-Y50 HydrophobicContact CG-CE1 4.32Å; M17-Y50 HydrophobicContact CG-CE2 4.02Å; M17-W54 HydrophobicContact SD-CH2 3.77Å; M17-W54 HydrophobicContact SD-CZ2 4.18Å
18Q98.5Very high97.7Very high33 Ų3357.7 Ų57.715%0.15430%0.298CS..Hα-helixtrans-66.7-45.4173.9-62.31753900111.4I8 A11 M13 S14 E15 E16 D20 A21 I22 I74I8-Q18 HydrophobicContact CD1-CB 4.24Å; A11-Q18 HydrophobicContact CB-CG 4.25Å; M13-Q18 HydrophobicContact CG-CG 3.64Å; M13-Q18 PolarHBondContact O-NE2 2.78Å; M13-Q18 HydrophobicContact SD-CG 3.94Å; S14-Q18 WeakPolarHBondContact O-CG 3.41Å; S14-Q18 PolarHBondContact O-N 3.48Å; E15-Q18 WeakPolarHBondContact O-CB 3.48Å; E15-Q18 PolarHBondContact O-N 2.85Å; E15-Q18 VanDerWaalsContact O-N 3.11Å; E16-Q18 VanDerWaalsContact C-N 3.33Å; E16-Q18 PolarHBondContact O-N 3.35Å; Q18-D20 VanDerWaalsContact C-N 3.33Å; Q18-D20 PolarHBondContact O-N 3.26Å; Q18-A21 WeakPolarHBondContact O-CB 3.45Å; Q18-A21 PolarHBondContact O-N 2.86Å; Q18-I22 WeakPolarHBondContact O-CG1 3.35Å; Q18-I22 PolarHBondContact O-N 3.14Å; Q18-I74 HydrophobicContact CB-CD1 3.88Å; Q18-I74 HydrophobicContact CG-CD1 3.86Å
19E97.6Very high97.7Very high137 Ų13755.6 Ų55.664%0.6429%0.288SS*.Hα-helixtrans-60.5-43.5176-72.6-177.8175.200111.4E15 E16 A21 I22 H23E15-E19 WeakPolarHBondContact O-CG 3.37Å; E15-E19 PolarHBondContact O-N 2.79Å; E16-E19 PolarHBondContact O-N 2.96Å; E19-A21 PolarHBondContact O-N 3.48Å; E19-I22 PolarHBondContact O-N 3.46Å; E19-H23 WeakPolarHBondContact O-CB 3.36Å; E19-H23 PolarHBondContact O-N 3.31Å
20D97.7Very high97.6Very high30 Ų3054.4 Ų54.416%0.1629%0.287CS..Hα-helixtrans-59-45.2172.9-95.7-15.1000112.6E16 Q18 I22 H23 I24 K49 Y50E16-D20 PolarHBondContact O-N 3.03Å; Q18-D20 VanDerWaalsContact C-N 3.33Å; Q18-D20 PolarHBondContact O-N 3.26Å; D20-I22 VanDerWaalsContact C-N 3.29Å; D20-I22 PolarHBondContact O-N 3.42Å; D20-H23 PolarHBondContact O-N 3.01Å; D20-I24 WeakPolarHBondContact O-CB 3.17Å; D20-I24 VanDerWaalsContact O-CG1 3.28Å; D20-I24 WeakPolarHBondContact O-CG1 3.32Å; D20-I24 PolarHBondContact O-N 3.08Å; D20-K49 IonicContact OD1-NZ 2.7Å; D20-K49 PolarHBondContact OD1-NZ 2.86Å; D20-K49 VanDerWaalsContact OD1-NZ 3.1Å; D20-K49 WeakPolarHBondContact OD2-CE 3.46Å; D20-K49 IonicContact OD2-NZ 2.79Å; D20-K49 PolarHBondContact OD2-NZ 3.29Å; D20-Y50 PolarHBondContact OD2-OH 3.15Å
21A98.5Very high97.6Very high0 Ų057.2 Ų57.20%030%0.295CS..Hα-helixtrans-58.5-44.117800000111.2M17 Q18 E19 A25 F46 I74 F76 L85M17-A21 WeakPolarHBondContact O-CB 3.35Å; M17-A21 PolarHBondContact O-N 2.91Å; Q18-A21 WeakPolarHBondContact O-CB 3.45Å; Q18-A21 PolarHBondContact O-N 2.86Å; E19-A21 PolarHBondContact O-N 3.48Å; A21-A25 WeakPolarHBondContact O-CB 3.47Å; A21-A25 PolarHBondContact O-N 3.4Å; A21-F46 HydrophobicContact CB-CE2 4.14Å; A21-F46 HydrophobicContact CB-CZ 3.62Å; A21-I74 HydrophobicContact CB-CD1 4.2Å; A21-I74 HydrophobicContact CB-CG2 4.12Å; A21-F76 HydrophobicContact CB-CE1 4.24Å; A21-L85 HydrophobicContact CB-CD2 4.06Å
22I97.8Very high97.5Very high36 Ų3658.6 Ų58.619%0.18530%0.296CS..Hα-helixtrans-66.6-44178.1-66.9162.4000110.8A6 I8 Q18 E19 D20 A25 A26 F76A6-I22 HydrophobicContact CB-CB 4.4Å; A6-I22 HydrophobicContact CB-CD1 3.64Å; A6-I22 HydrophobicContact CB-CG1 3.8Å; A6-I22 HydrophobicContact CB-CG2 3.67Å; I8-I22 HydrophobicContact CD1-CD1 4.03Å; I8-I22 HydrophobicContact CG1-CD1 4.22Å; Q18-I22 WeakPolarHBondContact O-CG1 3.35Å; Q18-I22 PolarHBondContact O-N 3.14Å; E19-I22 PolarHBondContact O-N 3.46Å; D20-I22 VanDerWaalsContact C-N 3.29Å; D20-I22 PolarHBondContact O-N 3.42Å; I22-A25 PolarHBondContact O-N 3.38Å; I22-A26 WeakPolarHBondContact O-CB 3.44Å; I22-A26 PolarHBondContact O-N 3.05Å; I22-F76 HydrophobicContact CG1-CD2 4.15Å; I22-F76 HydrophobicContact CG1-CE2 4.03Å; I22-F76 HydrophobicContact CG1-CZ 4.34Å
23H97.3Very high97.3Very high142 Ų14263.4 Ų63.466%0.65732%0.321SS*.Hα-helixtrans-64.5-46.9-179.6-173.578000111.9E19 D20 A25 A26 G27E19-H23 WeakPolarHBondContact O-CB 3.36Å; E19-H23 PolarHBondContact O-N 3.31Å; D20-H23 PolarHBondContact O-N 3.01Å; H23-A25 VanDerWaalsContact C-N 3.35Å; H23-A26 PolarHBondContact O-N 2.8Å; H23-G27 PolarHBondContact O-N 3.36Å
24I97.9Very high97.3Very high23 Ų2367.3 Ų67.312%0.11834%0.342CS..Hα-helixtrans-64.2-41.7177.4-67.5164.4000110D20 G27 A28 I42 D45 F46D20-I24 WeakPolarHBondContact O-CB 3.17Å; D20-I24 VanDerWaalsContact O-CG1 3.28Å; D20-I24 WeakPolarHBondContact O-CG1 3.32Å; D20-I24 PolarHBondContact O-N 3.08Å; I24-G27 PolarHBondContact O-N 2.9Å; I24-A28 VanDerWaalsContact O-CB 3.29Å; I24-A28 WeakPolarHBondContact O-CB 3.49Å; I24-A28 PolarHBondContact O-N 3.22Å; I24-I42 HydrophobicContact CG2-CB 4.37Å; I24-I42 HydrophobicContact CG2-CG1 4.12Å; I24-I42 HydrophobicContact CG2-CG2 4.38Å; I24-D45 HydrophobicContact CD1-CB 4.23Å; I24-D45 HydrophobicContact CG2-CB 3.96Å; I24-F46 HydrophobicContact CB-CE2 4.49Å; I24-F46 HydrophobicContact CD1-CD2 3.98Å; I24-F46 HydrophobicContact CD1-CE2 3.58Å
25A98Very high97.3Very high0 Ų067.9 Ų67.90%034%0.338CS..Hα-helixtrans-63.5-44.217600000112.5A21 I22 H23 G27 A28 I29 I42 F76 L78 F83A21-A25 WeakPolarHBondContact O-CB 3.47Å; A21-A25 PolarHBondContact O-N 3.4Å; I22-A25 PolarHBondContact O-N 3.38Å; H23-A25 VanDerWaalsContact C-N 3.35Å; A25-G27 PolarHBondContact O-N 3.05Å; A25-A28 PolarHBondContact O-N 3.38Å; A25-A28 VanDerWaalsContact O-N 3.15Å; A25-I29 WeakPolarHBondContact O-CG1 3.37Å; A25-I29 PolarHBondContact O-N 3.32Å; A25-I42 HydrophobicContact CB-CD1 3.82Å; A25-I42 HydrophobicContact CB-CG1 4.47Å; A25-F76 HydrophobicContact CB-CE2 4.07Å; A25-F76 HydrophobicContact CB-CZ 3.7Å; A25-L78 HydrophobicContact CB-CD2 4.25Å; A25-F83 HydrophobicContact CB-CD1 3.96Å; A25-F83 HydrophobicContact CB-CE1 3.88Å; A25-F83 HydrophobicContact CB-CZ 4.39Å
26A96.9Very high97.3Very high18 Ų1866.9 Ų66.915%0.14933%0.331CS..Hα-helixtrans-59.3-47.5175.800000111.4I22 H23 A28 I29 D30 L78I22-A26 WeakPolarHBondContact O-CB 3.44Å; I22-A26 PolarHBondContact O-N 3.05Å; H23-A26 PolarHBondContact O-N 2.8Å; A26-A28 VanDerWaalsContact C-N 3.28Å; A26-A28 PolarHBondContact O-N 3.31Å; A26-I29 PolarHBondContact O-N 3.11Å; A26-D30 PolarHBondContact O-N 3.5Å; A26-D30 VanDerWaalsContact O-N 3.14Å; A26-L78 HydrophobicContact CB-CD2 3.95Å
27G96.7Very high97.3Very high24 Ų2462.8 Ų62.825%0.24731%0.314CS..Hα-helixtrans-65.8-28.617600000113.6H23 I24 A25 K31H23-G27 PolarHBondContact O-N 3.36Å; I24-G27 PolarHBondContact O-N 2.9Å; A25-G27 PolarHBondContact O-N 3.05Å; G27-K31 WeakPolarHBondContact O-CD 3.41Å; G27-K31 VanDerWaalsContact O-CG 3.25Å; G27-K31 WeakPolarHBondContact O-CG 3.39Å; G27-K31 PolarHBondContact O-N 3.1Å
28A97.5Very high97.3Very high0 Ų061.8 Ų61.80%031%0.308CS..Hα-helixtrans-74.4-38.8175.300000112.1I24 A25 A26 D30 K31 H32 I38 N41 I42I24-A28 VanDerWaalsContact O-CB 3.29Å; I24-A28 WeakPolarHBondContact O-CB 3.49Å; I24-A28 PolarHBondContact O-N 3.22Å; A25-A28 PolarHBondContact O-N 3.38Å; A25-A28 VanDerWaalsContact O-N 3.15Å; A26-A28 VanDerWaalsContact C-N 3.28Å; A26-A28 PolarHBondContact O-N 3.31Å; A28-D30 VanDerWaalsContact C-N 3.28Å; A28-D30 PolarHBondContact O-N 2.99Å; A28-K31 PolarHBondContact O-N 3.49Å; A28-H32 PolarHBondContact O-CD2 2.96Å; A28-H32 PolarHBondContact O-N 3.03Å; A28-I38 HydrophobicContact CB-CG2 3.83Å; A28-N41 HydrophobicContact CB-CB 4.23Å; A28-I42 HydrophobicContact CB-CD1 4.46Å; A28-I42 HydrophobicContact CB-CG1 4.02Å
29I96.1Very high97.4Very high24 Ų2460.8 Ų60.812%0.12331%0.306CS..Hα-helixtrans-59.9-40.4172.1-68.2171.1000110.7A25 A26 K31 I38 L78 F83A25-I29 WeakPolarHBondContact O-CG1 3.37Å; A25-I29 PolarHBondContact O-N 3.32Å; A26-I29 PolarHBondContact O-N 3.11Å; I29-K31 PolarHBondContact O-N 3.42Å; I29-I38 HydrophobicContact CG1-CD1 4.37Å; I29-L78 HydrophobicContact CD1-CB 4.37Å; I29-L78 HydrophobicContact CD1-CD2 3.64Å; I29-L78 HydrophobicContact CD1-CG 3.99Å; I29-F83 HydrophobicContact CD1-CE2 4.13Å; I29-F83 HydrophobicContact CD1-CZ 3.69Å; I29-F83 HydrophobicContact CG1-CZ 3.93Å
30D95.6Very high97.4Very high102 Ų10256 Ų5655%0.54529%0.29SS..Hα-helixtrans-68.6-23179.3-73.7-34.6000113.6R4 A26 A28R4-D30 IonicContact CZ-OD1 3.21Å; R4-D30 IonicContact CZ-OD2 3.81Å; R4-D30 IonicContact NH1-OD1 3Å; R4-D30 PolarHBondContact NH1-OD1 2.85Å; R4-D30 IonicContact NH1-OD2 2.84Å; R4-D30 PolarHBondContact NH1-OD2 2.84Å; R4-D30 IonicContact NH2-OD1 2.63Å; R4-D30 PolarHBondContact NH2-OD1 2.84Å; R4-D30 IonicContact NH2-OD2 3.95Å; A26-D30 PolarHBondContact O-N 3.5Å; A26-D30 VanDerWaalsContact O-N 3.14Å; A28-D30 VanDerWaalsContact C-N 3.28Å; A28-D30 PolarHBondContact O-N 2.99Å
31K97.2Very high97.5Very high156 Ų15656 Ų5668%0.67829%0.29SS*.Hα-helixtrans-99.4-24.9-175.3-72172.4-173.6173.30113.9G27 A28 I29G27-K31 WeakPolarHBondContact O-CD 3.41Å; G27-K31 VanDerWaalsContact O-CG 3.25Å; G27-K31 WeakPolarHBondContact O-CG 3.39Å; G27-K31 PolarHBondContact O-N 3.1Å; A28-K31 PolarHBondContact O-N 3.49Å; I29-K31 PolarHBondContact O-N 3.42Å
32H97.3Very high97.5Very high62 Ų6256.1 Ų56.129%0.28729%0.291SS..  trans-136.2134.1-168.9-55.4-70.9000111.6A28 D37 I38 N41A28-H32 PolarHBondContact O-CD2 2.96Å; A28-H32 PolarHBondContact O-N 3.03Å; H32-D37 HydrophobicContact CB-CB 4.02Å; H32-I38 HydrophobicContact CB-CG1 3.74Å; H32-I38 WeakPolarHBondContact O-CD1 3.33Å; H32-N41 PolarHBondContact CD2-ND2 3.18Å; H32-N41 PolarHBondContact NE2-ND2 3.4Å; H32-N41 VanDerWaalsContact NE2-ND2 3.12Å
33D94.3Very high97.5Very high150 Ų15057.5 Ų57.580%0.80230%0.295SS*.SBendtrans-83.2-36.6177.5-65.5-44.6000112.8
34L97Very high97.6Very high98 Ų9857.6 Ų57.651%0.51329%0.294SS..SBendtrans-87.6132.1-173.3-62.3177.3000111.7K36 D37 I38L34-K36 HydrophobicContact CB-CG 4.21Å; L34-K36 PolarHBondContact O-N 2.99Å; L34-K36 VanDerWaalsContact O-N 3.16Å; L34-D37 WeakPolarHBondContact CB-OD2 3.36Å; L34-D37 PolarHBondContact O-N 3.47Å; L34-I38 WeakPolarHBondContact O-CG1 3.28Å; L34-I38 PolarHBondContact O-N 2.94Å; L34-I38 VanDerWaalsContact O-N 3.13Å
35E97.6Very high97.6Very high75 Ų7558.5 Ų58.535%0.3530%0.299SS..Hα-helixtrans-53.1-39.4179.8-65.2175.5156.100112.6D37 I38 A39 V58 G59 R60E35-D37 VanDerWaalsContact C-N 3.29Å; E35-D37 PolarHBondContact O-N 2.86Å; E35-I38 PolarHBondContact O-N 3.37Å; E35-A39 WeakPolarHBondContact O-CB 3.39Å; E35-A39 PolarHBondContact O-N 2.86Å; E35-V58 HydrophobicContact CB-CB 4.31Å; E35-V58 HydrophobicContact CB-CG1 4.27Å; E35-V58 HydrophobicContact CG-CG1 4.29Å; E35-G59 WeakPolarHBondContact OE1-CA 3.49Å; E35-R60 PolarHBondContact OE1-N 3.16Å
36K98Very high97.6Very high134 Ų13458.5 Ų58.558%0.58330%0.299SS*.Hα-helixtrans-60.7-36.8177.272.7175.5179.260.90113.1L34 A40L34-K36 HydrophobicContact CB-CG 4.21Å; L34-K36 PolarHBondContact O-N 2.99Å; L34-K36 VanDerWaalsContact O-N 3.16Å; K36-A40 VanDerWaalsContact O-CB 3.29Å; K36-A40 WeakPolarHBondContact O-CB 3.46Å; K36-A40 PolarHBondContact O-N 3.39Å
37D98.5Very high97.7Very high53 Ų5358.9 Ų58.928%0.28330%0.298SS..Hα-helixtrans-81.7-34.9-175.1-64.5-41000110.3H32 L34 E35 A40 N41H32-D37 HydrophobicContact CB-CB 4.02Å; L34-D37 WeakPolarHBondContact CB-OD2 3.36Å; L34-D37 PolarHBondContact O-N 3.47Å; E35-D37 VanDerWaalsContact C-N 3.29Å; E35-D37 PolarHBondContact O-N 2.86Å; D37-A40 PolarHBondContact O-N 2.82Å; D37-N41 WeakPolarHBondContact O-CB 3.38Å; D37-N41 PolarHBondContact O-N 2.84Å
38I98.5Very high97.8Very high0 Ų066.7 Ų66.70%032%0.32CS..Hα-helixtrans-59.5-52.8168.9-60169.8000110.1A28 I29 H32 L34 E35 A40 N41 I42 V58 F83A28-I38 HydrophobicContact CB-CG2 3.83Å; I29-I38 HydrophobicContact CG1-CD1 4.37Å; H32-I38 HydrophobicContact CB-CG1 3.74Å; H32-I38 WeakPolarHBondContact O-CD1 3.33Å; L34-I38 WeakPolarHBondContact O-CG1 3.28Å; L34-I38 PolarHBondContact O-N 2.94Å; L34-I38 VanDerWaalsContact O-N 3.13Å; E35-I38 PolarHBondContact O-N 3.37Å; I38-A40 VanDerWaalsContact C-N 3.34Å; I38-A40 PolarHBondContact O-N 2.98Å; I38-N41 WeakPolarHBondContact O-CB 3.37Å; I38-N41 PolarHBondContact O-N 2.87Å; I38-I42 HydrophobicContact CG2-CD1 3.88Å; I38-I42 WeakPolarHBondContact O-CG1 3.3Å; I38-I42 PolarHBondContact O-N 2.95Å; I38-V58 HydrophobicContact CG2-CG1 4.38Å; I38-V58 HydrophobicContact CG2-CG2 4.08Å; I38-F83 HydrophobicContact CG2-CE1 3.74Å; I38-F83 HydrophobicContact CG2-CZ 4.31Å
39A98.7Very high97.8Very high12 Ų1271.9 Ų71.910%0.09934%0.343CS..Hα-helixtrans-58.8-44.9179.400000111.8E35 N41 I42 K43 C56 V58E35-A39 WeakPolarHBondContact O-CB 3.39Å; E35-A39 PolarHBondContact O-N 2.86Å; A39-N41 VanDerWaalsContact C-N 3.31Å; A39-N41 PolarHBondContact O-N 2.89Å; A39-I42 PolarHBondContact O-N 3.43Å; A39-K43 VanDerWaalsContact O-CB 3.32Å; A39-K43 WeakPolarHBondContact O-CB 3.48Å; A39-K43 PolarHBondContact O-N 3.16Å; A39-C56 HydrophobicContact CB-CB 4.32Å; A39-C56 WeakPolarHBondContact O-CB 3.26Å; A39-V58 HydrophobicContact CB-CB 4.33Å; A39-V58 HydrophobicContact CB-CG2 3.8Å
40A98.7Very high97.9Very high37 Ų3772.8 Ų72.831%0.30635%0.345SS..Hα-helixtrans-63.8-35.8178.400000112.7K36 D37 I38 K44K36-A40 VanDerWaalsContact O-CB 3.29Å; K36-A40 WeakPolarHBondContact O-CB 3.46Å; K36-A40 PolarHBondContact O-N 3.39Å; D37-A40 PolarHBondContact O-N 2.82Å; I38-A40 VanDerWaalsContact C-N 3.34Å; I38-A40 PolarHBondContact O-N 2.98Å; A40-K44 WeakPolarHBondContact O-CB 3.29Å; A40-K44 WeakPolarHBondContact O-CD 3.25Å; A40-K44 VanDerWaalsContact O-CG 3.22Å; A40-K44 WeakPolarHBondContact O-CG 3.41Å; A40-K44 PolarHBondContact O-N 2.94Å; A40-K44 VanDerWaalsContact O-N 3.14Å
41N98.7Very high98Very high30 Ų3074.4 Ų74.416%0.1635%0.349CS..Hα-helixtrans-65.2-53.4175.9-171.8-1.9000111A28 H32 D37 I38 A39 K43 K44 D45A28-N41 HydrophobicContact CB-CB 4.23Å; H32-N41 PolarHBondContact CD2-ND2 3.18Å; H32-N41 PolarHBondContact NE2-ND2 3.4Å; H32-N41 VanDerWaalsContact NE2-ND2 3.12Å; D37-N41 WeakPolarHBondContact O-CB 3.38Å; D37-N41 PolarHBondContact O-N 2.84Å; I38-N41 WeakPolarHBondContact O-CB 3.37Å; I38-N41 PolarHBondContact O-N 2.87Å; A39-N41 VanDerWaalsContact C-N 3.31Å; A39-N41 PolarHBondContact O-N 2.89Å; N41-K43 VanDerWaalsContact C-N 3.34Å; N41-K43 PolarHBondContact O-N 3.41Å; N41-K44 PolarHBondContact O-N 3.06Å; N41-K44 VanDerWaalsContact O-N 3.16Å; N41-D45 PolarHBondContact O-N 3.35Å
42I98.7Very high98Very high3 Ų370.8 Ų70.82%0.01534%0.341CS..Hα-helixtrans-57.8-48-179.8-61164.6000110.5I24 A25 A28 I38 A39 K44 D45 F46 V58 F83 L85I24-I42 HydrophobicContact CG2-CB 4.37Å; I24-I42 HydrophobicContact CG2-CG1 4.12Å; I24-I42 HydrophobicContact CG2-CG2 4.38Å; A25-I42 HydrophobicContact CB-CD1 3.82Å; A25-I42 HydrophobicContact CB-CG1 4.47Å; A28-I42 HydrophobicContact CB-CD1 4.46Å; A28-I42 HydrophobicContact CB-CG1 4.02Å; I38-I42 HydrophobicContact CG2-CD1 3.88Å; I38-I42 WeakPolarHBondContact O-CG1 3.3Å; I38-I42 PolarHBondContact O-N 2.95Å; A39-I42 PolarHBondContact O-N 3.43Å; I42-K44 PolarHBondContact O-N 3.02Å; I42-D45 PolarHBondContact O-N 2.91Å; I42-F46 HydrophobicContact CG2-CD2 4.07Å; I42-F46 HydrophobicContact CG2-CE2 4.4Å; I42-F46 PolarHBondContact O-N 2.93Å; I42-V58 HydrophobicContact CD1-CG2 4.38Å; I42-F83 HydrophobicContact CD1-CD1 3.6Å; I42-F83 HydrophobicContact CD1-CE1 3.61Å; I42-L85 HydrophobicContact CG2-CD1 3.98Å; I42-L85 HydrophobicContact CG2-CD2 3.89Å
43K98.7Very high98Very high64 Ų6470.4 Ų70.428%0.27834%0.344SS..Hα-helixtrans-53.5-51.3176.4-179.2-169.2-176.7-47.20111.8A39 N41 D45 F46 D47 W54 C56A39-K43 VanDerWaalsContact O-CB 3.32Å; A39-K43 WeakPolarHBondContact O-CB 3.48Å; A39-K43 PolarHBondContact O-N 3.16Å; N41-K43 VanDerWaalsContact C-N 3.34Å; N41-K43 PolarHBondContact O-N 3.41Å; K43-D45 VanDerWaalsContact C-N 3.34Å; K43-D45 PolarHBondContact O-N 3.13Å; K43-F46 PolarHBondContact O-N 2.6Å; K43-D47 IonicContact NZ-OD1 3.89Å; K43-D47 IonicContact NZ-OD2 2.62Å; K43-D47 PolarHBondContact NZ-OD2 2.83Å; K43-D47 WeakPolarHBondContact O-CB 3.43Å; K43-D47 PolarHBondContact O-N 2.91Å; K43-W54 WeakPolarHBondContact CE-O 3.22Å; K43-W54 HydrophobicContact CG-CB 4.46Å; K43-W54 VanDerWaalsContact CG-O 3.28Å; K43-W54 WeakPolarHBondContact CG-O 3.1Å; K43-W54 PolarHBondContact NZ-O 3.37Å; K43-C56 HydrophobicContact CB-CB 4.09Å
44K98.6Very high98.2Very high145 Ų14563.3 Ų63.363%0.6331%0.305SS*.Hα-helixtrans-63.4-39.8-177.5-76.1171.9-177.7177.40112.1A40 N41 I42 R48A40-K44 WeakPolarHBondContact O-CB 3.29Å; A40-K44 WeakPolarHBondContact O-CD 3.25Å; A40-K44 VanDerWaalsContact O-CG 3.22Å; A40-K44 WeakPolarHBondContact O-CG 3.41Å; A40-K44 PolarHBondContact O-N 2.94Å; A40-K44 VanDerWaalsContact O-N 3.14Å; N41-K44 PolarHBondContact O-N 3.06Å; N41-K44 VanDerWaalsContact O-N 3.16Å; I42-K44 PolarHBondContact O-N 3.02Å; K44-R48 WeakPolarHBondContact O-CB 3.31Å; K44-R48 PolarHBondContact O-N 2.94Å
45D98.5Very high98.3Very high41 Ų4161.8 Ų61.822%0.21930%0.296CS..Hα-helixtrans-67-41.9177.6-92.40.2000111.7I24 N41 I42 K43 R48 K49I24-D45 HydrophobicContact CD1-CB 4.23Å; I24-D45 HydrophobicContact CG2-CB 3.96Å; N41-D45 PolarHBondContact O-N 3.35Å; I42-D45 PolarHBondContact O-N 2.91Å; K43-D45 VanDerWaalsContact C-N 3.34Å; K43-D45 PolarHBondContact O-N 3.13Å; D45-R48 PolarHBondContact O-N 3.27Å; D45-R48 IonicContact OD1-CZ 3.73Å; D45-R48 IonicContact OD1-NE 2.6Å; D45-R48 IonicContact OD1-NH2 2.91Å; D45-R48 PolarHBondContact OD1-NH2 3.25Å; D45-K49 WeakPolarHBondContact O-CB 3.38Å; D45-K49 PolarHBondContact O-N 2.95Å
46F98.6Very high98.4Very high0 Ų059.2 Ų59.20%029%0.286CS..Hα-helixtrans-68.4-41.2175.7-93.5-104.6000113M17 A21 I24 I42 K43 R48 K49 Y50 W54 L85M17-F46 HydrophobicContact CG-CE1 3.94Å; M17-F46 HydrophobicContact SD-CE1 4.44Å; A21-F46 HydrophobicContact CB-CE2 4.14Å; A21-F46 HydrophobicContact CB-CZ 3.62Å; I24-F46 HydrophobicContact CB-CE2 4.49Å; I24-F46 HydrophobicContact CD1-CD2 3.98Å; I24-F46 HydrophobicContact CD1-CE2 3.58Å; I42-F46 HydrophobicContact CG2-CD2 4.07Å; I42-F46 HydrophobicContact CG2-CE2 4.4Å; I42-F46 PolarHBondContact O-N 2.93Å; K43-F46 PolarHBondContact O-N 2.6Å; F46-R48 PolarHBondContact O-N 2.5Å; F46-K49 PolarHBondContact O-N 3.33Å; F46-Y50 AromaticContact CD1-CD2 3.47Å; F46-Y50 HydrophobicContact CD1-CD2 3.47Å; F46-Y50 VanDerWaalsContact CD1-CD2 3.47Å; F46-Y50 HydrophobicContact CD1-CE2 4.06Å; F46-Y50 HydrophobicContact CD1-CG 4.4Å; F46-Y50 AromaticContact CE1-CD2 3.61Å; F46-Y50 HydrophobicContact CE1-CD2 3.61Å; F46-Y50 AromaticContact CE1-CE2 3.72Å; F46-Y50 HydrophobicContact CE1-CE2 3.72Å; F46-Y50 HydrophobicContact CG-CD2 4.07Å; F46-Y50 HydrophobicContact CZ-CD2 4.31Å; F46-Y50 HydrophobicContact CZ-CE2 4.05Å; F46-Y50 WeakPolarHBondContact O-CA 3.47Å; F46-Y50 WeakPolarHBondContact O-CB 3.23Å; F46-Y50 PolarHBondContact O-N 3.4Å; F46-W54 HydrophobicContact CB-CB 4.12Å; F46-W54 HydrophobicContact CB-CD2 3.76Å; F46-W54 HydrophobicContact CB-CE3 4.3Å; F46-W54 HydrophobicContact CB-CG 3.65Å; F46-W54 AromaticContact CD1-CD2 3.76Å; F46-W54 HydrophobicContact CD1-CD2 3.76Å; F46-W54 AromaticContact CD1-CE2 3.74Å; F46-W54 AromaticContact CD1-CE3 3.74Å; F46-W54 HydrophobicContact CD1-CE3 3.74Å; F46-W54 AromaticContact CD1-CH2 3.7Å; F46-W54 HydrophobicContact CD1-CH2 3.7Å; F46-W54 AromaticContact CD1-CZ2 3.73Å; F46-W54 HydrophobicContact CD1-CZ2 3.73Å; F46-W54 AromaticContact CD1-CZ3 3.71Å; F46-W54 HydrophobicContact CD1-CZ3 3.71Å; F46-W54 HydrophobicContact CE1-CH2 4.03Å; F46-W54 HydrophobicContact CE1-CZ2 4.37Å; F46-W54 HydrophobicContact CE1-CZ3 4.14Å; F46-W54 HydrophobicContact CG-CD2 4.2Å; F46-W54 HydrophobicContact CG-CE3 4.34Å; F46-W54 PolarHBondContact O-NE1 2.96Å; F46-L85 HydrophobicContact CD1-CD2 3.74Å; F46-L85 HydrophobicContact CD1-CG 4.43Å; F46-L85 HydrophobicContact CD2-CD2 3.75Å; F46-L85 HydrophobicContact CE1-CD2 3.61Å; F46-L85 HydrophobicContact CE2-CD2 3.62Å; F46-L85 HydrophobicContact CG-CD1 4.36Å; F46-L85 HydrophobicContact CG-CD2 3.82Å; F46-L85 HydrophobicContact CZ-CD2 3.57Å
47D98.5Very high98.4Very high26 Ų2656 Ų5614%0.13927%0.274CS..Hα-helixtrans-56.6-41.5172.4-79-25.8000111.4K43 H51 P52 W54K43-D47 IonicContact NZ-OD1 3.89Å; K43-D47 IonicContact NZ-OD2 2.62Å; K43-D47 PolarHBondContact NZ-OD2 2.83Å; K43-D47 WeakPolarHBondContact O-CB 3.43Å; K43-D47 PolarHBondContact O-N 2.91Å; D47-H51 CarbonylContact O-C 3.4Å; D47-H51 WeakPolarHBondContact O-CA 3.38Å; D47-H51 PolarHBondContact O-N 3.47Å; D47-P52 HydrophobicContact CB-CG 4.19Å; D47-P52 WeakPolarHBondContact O-CD 3.4Å; D47-P52 WeakPolarHBondContact OD1-CA 3.47Å; D47-W54 WeakPolarHBondContact OD1-CB 3.17Å; D47-W54 PolarHBondContact OD1-N 3Å
48R98.4Very high98.4Very high189 Ų18954.1 Ų54.171%0.71327%0.265SS*.Hα-helixtrans-72-42.9179.8179.917758.7160.6-2.6112.5K44 D45 F46K44-R48 WeakPolarHBondContact O-CB 3.31Å; K44-R48 PolarHBondContact O-N 2.94Å; D45-R48 PolarHBondContact O-N 3.27Å; D45-R48 IonicContact OD1-CZ 3.73Å; D45-R48 IonicContact OD1-NE 2.6Å; D45-R48 IonicContact OD1-NH2 2.91Å; D45-R48 PolarHBondContact OD1-NH2 3.25Å; F46-R48 PolarHBondContact O-N 2.5Å
49K98.2Very high98.4Very high109 Ų10954.4 Ų54.447%0.47427%0.267SS..Hα-helixtrans-83.6-35.7-173.8-168.1171.3-178176.40112.9D20 D45 F46D20-K49 IonicContact OD1-NZ 2.7Å; D20-K49 PolarHBondContact OD1-NZ 2.86Å; D20-K49 VanDerWaalsContact OD1-NZ 3.1Å; D20-K49 WeakPolarHBondContact OD2-CE 3.46Å; D20-K49 IonicContact OD2-NZ 2.79Å; D20-K49 PolarHBondContact OD2-NZ 3.29Å; D45-K49 WeakPolarHBondContact O-CB 3.38Å; D45-K49 PolarHBondContact O-N 2.95Å; F46-K49 PolarHBondContact O-N 3.33Å
50Y97.9Very high98.3Very high43 Ų4359.8 Ų59.817%0.16929%0.285CS..Hα-helixtrans-122.615.7-169.1-63.4-64.4000114.1M17 D20 F46 W54 K87M17-Y50 HydrophobicContact CE-CD1 3.6Å; M17-Y50 HydrophobicContact CE-CE1 3.64Å; M17-Y50 HydrophobicContact CE-CG 4.13Å; M17-Y50 HydrophobicContact CG-CE1 4.32Å; M17-Y50 HydrophobicContact CG-CE2 4.02Å; D20-Y50 PolarHBondContact OD2-OH 3.15Å; F46-Y50 AromaticContact CD1-CD2 3.47Å; F46-Y50 HydrophobicContact CD1-CD2 3.47Å; F46-Y50 VanDerWaalsContact CD1-CD2 3.47Å; F46-Y50 HydrophobicContact CD1-CE2 4.06Å; F46-Y50 HydrophobicContact CD1-CG 4.4Å; F46-Y50 AromaticContact CE1-CD2 3.61Å; F46-Y50 HydrophobicContact CE1-CD2 3.61Å; F46-Y50 AromaticContact CE1-CE2 3.72Å; F46-Y50 HydrophobicContact CE1-CE2 3.72Å; F46-Y50 HydrophobicContact CG-CD2 4.07Å; F46-Y50 HydrophobicContact CZ-CD2 4.31Å; F46-Y50 HydrophobicContact CZ-CE2 4.05Å; F46-Y50 WeakPolarHBondContact O-CA 3.47Å; F46-Y50 WeakPolarHBondContact O-CB 3.23Å; F46-Y50 PolarHBondContact O-N 3.4Å; Y50-W54 HydrophobicContact CG-CZ2 4.36Å; Y50-K87 PolarHBondContact O-NZ 3.12Å
51H97.1Very high98Very high136 Ų13666.6 Ų66.663%0.6331%0.31SS*.  trans63.5141.6-177.4-50.3-67.8000114.1D47 W54 K87D47-H51 CarbonylContact O-C 3.4Å; D47-H51 WeakPolarHBondContact O-CA 3.38Å; D47-H51 PolarHBondContact O-N 3.47Å; H51-W54 VanDerWaalsContact O-CD1 3.26Å; H51-W54 PolarHBondContact O-NE1 3.43Å; H51-W54 VanDerWaalsContact O-NE1 3.08Å; H51-K87 PolarHBondContact O-NZ 2.77Å
52P98Very high98Very high79 Ų7968 Ų6851%0.51332%0.315SS..SBendtrans-59.9160.6177.2-20.432.3000113.4D47 K87D47-P52 HydrophobicContact CB-CG 4.19Å; D47-P52 WeakPolarHBondContact O-CD 3.4Å; D47-P52 WeakPolarHBondContact OD1-CA 3.47Å; P52-K87 WeakPolarHBondContact O-CE 3.41Å; P52-K87 PolarHBondContact O-NZ 2.8Å
53T97.7Very high97.9Very high55 Ų5571.5 Ų71.534%0.33735%0.352SS..  cis-114.9111.25-54.30000112.4K87 S88T53-K87 WeakPolarHBondContact O-CA 3.44Å; T53-K87 WeakPolarHBondContact O-CG 3.36Å; T53-S88 PolarHBondContact O-N 3.22Å
54W98.7Very high97.8Very high0 Ų071.4 Ų71.40%036%0.359CS..EExtended strand (participates in β ladder)trans-85.8149.5173.8-68.882.7000111.8M13 M17 K43 F46 D47 Y50 H51 N72 L85 F86 K87M13-W54 HydrophobicContact CE-CH2 3.8Å; M13-W54 HydrophobicContact CE-CZ3 3.91Å; M17-W54 HydrophobicContact SD-CH2 3.77Å; M17-W54 HydrophobicContact SD-CZ2 4.18Å; K43-W54 WeakPolarHBondContact CE-O 3.22Å; K43-W54 HydrophobicContact CG-CB 4.46Å; K43-W54 VanDerWaalsContact CG-O 3.28Å; K43-W54 WeakPolarHBondContact CG-O 3.1Å; K43-W54 PolarHBondContact NZ-O 3.37Å; F46-W54 HydrophobicContact CB-CB 4.12Å; F46-W54 HydrophobicContact CB-CD2 3.76Å; F46-W54 HydrophobicContact CB-CE3 4.3Å; F46-W54 HydrophobicContact CB-CG 3.65Å; F46-W54 AromaticContact CD1-CD2 3.76Å; F46-W54 HydrophobicContact CD1-CD2 3.76Å; F46-W54 AromaticContact CD1-CE2 3.74Å; F46-W54 AromaticContact CD1-CE3 3.74Å; F46-W54 HydrophobicContact CD1-CE3 3.74Å; F46-W54 AromaticContact CD1-CH2 3.7Å; F46-W54 HydrophobicContact CD1-CH2 3.7Å; F46-W54 AromaticContact CD1-CZ2 3.73Å; F46-W54 HydrophobicContact CD1-CZ2 3.73Å; F46-W54 AromaticContact CD1-CZ3 3.71Å; F46-W54 HydrophobicContact CD1-CZ3 3.71Å; F46-W54 HydrophobicContact CE1-CH2 4.03Å; F46-W54 HydrophobicContact CE1-CZ2 4.37Å; F46-W54 HydrophobicContact CE1-CZ3 4.14Å; F46-W54 HydrophobicContact CG-CD2 4.2Å; F46-W54 HydrophobicContact CG-CE3 4.34Å; F46-W54 PolarHBondContact O-NE1 2.96Å; D47-W54 WeakPolarHBondContact OD1-CB 3.17Å; D47-W54 PolarHBondContact OD1-N 3Å; Y50-W54 HydrophobicContact CG-CZ2 4.36Å; H51-W54 VanDerWaalsContact O-CD1 3.26Å; H51-W54 PolarHBondContact O-NE1 3.43Å; H51-W54 VanDerWaalsContact O-NE1 3.08Å; W54-N72 HydrophobicContact CH2-CB 3.81Å; W54-N72 HydrophobicContact CZ2-CB 4.23Å; W54-N72 WeakPolarHBondContact CZ2-OD1 3.41Å; W54-N72 HydrophobicContact CZ3-CB 4.35Å; W54-L85 HydrophobicContact CE3-CD1 3.78Å; W54-L85 HydrophobicContact CE3-CD2 4.44Å; W54-L85 HydrophobicContact CE3-CG 3.76Å; W54-L85 HydrophobicContact CZ3-CD1 4.47Å; W54-L85 HydrophobicContact CZ3-CD2 4.42Å; W54-L85 HydrophobicContact CZ3-CG 3.95Å; W54-F86 CarbonylContact C-O 3.56Å; W54-K87 HydrophobicContact CD2-CB 4.1Å; W54-K87 HydrophobicContact CD2-CG 4.46Å; W54-K87 HydrophobicContact CE3-CB 4.21Å; W54-K87 HydrophobicContact CH2-CB 4.45Å; W54-K87 HydrophobicContact CZ2-CB 4.33Å; W54-K87 HydrophobicContact CZ2-CD 4.33Å; W54-K87 HydrophobicContact CZ3-CB 4.39Å
55H98.7Very high97.7Very high66 Ų6675.3 Ų75.331%0.30637%0.372SS..EExtended strand (participates in β ladder)trans-125.9138.4174.1-58.3-86.2000108.2L85 F86 S88H55-L85 WeakPolarHBondContact O-CA 3.28Å; H55-L85 WeakPolarHBondContact O-CD1 2.97Å; H55-F86 HydrophobicContact CB-CD1 4.08Å; H55-F86 HydrophobicContact CB-CD2 4.33Å; H55-F86 HydrophobicContact CB-CE1 3.61Å; H55-F86 HydrophobicContact CB-CE2 3.89Å; H55-F86 HydrophobicContact CB-CG 4.42Å; H55-F86 HydrophobicContact CB-CZ 3.5Å; H55-F86 AromaticContact CD2-CE2 3.82Å; H55-F86 AromaticContact CG-CE2 3.99Å; H55-F86 AromaticContact CG-CZ 3.95Å; H55-F86 PolarHBondContact N-O 3.19Å; H55-F86 PolarHBondContact O-N 2.79Å; H55-S88 PolarHBondContact NE2-O 3.23Å
56C98.7Very high97.6Very high22 Ų2275.5 Ų75.515%0.14938%0.375CS..EExtended strand (participates in β ladder)trans-135.1133.3-179.7-171.10000110.4A39 K43 L84 L85A39-C56 HydrophobicContact CB-CB 4.32Å; A39-C56 WeakPolarHBondContact O-CB 3.26Å; K43-C56 HydrophobicContact CB-CB 4.09Å; C56-L84 CarbonylContact C-O 3.55Å; C56-L84 VanDerWaalsContact CA-O 3.31Å; C56-L84 WeakPolarHBondContact CA-O 3.48Å; C56-L85 HydrophobicContact CB-CD1 3.95Å
57I98.6Very high97.6Very high66 Ų6680.9 Ų80.934%0.33841%0.408SS..EExtended strand (participates in β ladder)trans-122.9132.9172.4-57.1177.3000107.5F62 F83 L84I57-F62 HydrophobicContact CG2-CD1 4.36Å; I57-F62 HydrophobicContact CG2-CD2 4.16Å; I57-F62 HydrophobicContact CG2-CE1 4.15Å; I57-F62 HydrophobicContact CG2-CE2 3.98Å; I57-F62 HydrophobicContact CG2-CG 4.36Å; I57-F62 HydrophobicContact CG2-CZ 3.96Å; I57-F83 WeakPolarHBondContact O-CA 3.42Å; I57-L84 HydrophobicContact CB-CB 4.23Å; I57-L84 HydrophobicContact CD1-CD2 4.07Å; I57-L84 PolarHBondContact N-O 2.99Å; I57-L84 PolarHBondContact O-N 2.89Å
58V98.5Very high97.5Very high13 Ų1382.7 Ų82.78%0.07942%0.415CS..EExtended strand (participates in β ladder)trans-126.9133174.3-178.10000107.6E35 I38 A39 I42 R81 A82 F83E35-V58 HydrophobicContact CB-CB 4.31Å; E35-V58 HydrophobicContact CB-CG1 4.27Å; E35-V58 HydrophobicContact CG-CG1 4.29Å; I38-V58 HydrophobicContact CG2-CG1 4.38Å; I38-V58 HydrophobicContact CG2-CG2 4.08Å; A39-V58 HydrophobicContact CB-CB 4.33Å; A39-V58 HydrophobicContact CB-CG2 3.8Å; I42-V58 HydrophobicContact CD1-CG2 4.38Å; V58-R81 HydrophobicContact CG1-CB 4.41Å; V58-A82 WeakPolarHBondContact CA-O 3.41Å; V58-F83 HydrophobicContact CB-CD1 4.48Å; V58-F83 HydrophobicContact CB-CE1 4.33Å; V58-F83 HydrophobicContact CG1-CD1 4.26Å; V58-F83 HydrophobicContact CG1-CE1 3.77Å; V58-F83 HydrophobicContact CG1-CE2 4.46Å; V58-F83 HydrophobicContact CG1-CZ 3.86Å; V58-F83 HydrophobicContact CG2-CD1 3.53Å; V58-F83 HydrophobicContact CG2-CE1 3.55Å; V58-F83 HydrophobicContact CG2-CG 4.43Å; V58-F83 HydrophobicContact CG2-CZ 4.46Å
59G97.8Very high97.5Very high6 Ų676.7 Ų76.76%0.06240%0.395CS..EExtended strand (participates in β ladder)trans-173.9155-179.900000113.5E35 A82E35-G59 WeakPolarHBondContact OE1-CA 3.49Å; G59-A82 PolarHBondContact N-O 3.07Å; G59-A82 WeakPolarHBondContact O-CB 3.13Å; G59-A82 PolarHBondContact O-N 3.33Å
60R96.1Very high97.4Very high126 Ų12676.1 Ų76.148%0.47540%0.401SS..SBendtrans-75.9-34.3171.6-66.8-179.9168.1159.7-1.6113.3E35 D80 R81E35-R60 PolarHBondContact OE1-N 3.16Å; R60-D80 IonicContact CZ-OD2 3.83Å; R60-D80 IonicContact NE-OD2 3.88Å; R60-D80 PolarHBondContact NE-OD2 2.98Å; R60-D80 IonicContact NH2-OD2 3.56Å; R60-D80 PolarHBondContact NH2-OD2 2.84Å; R60-R81 HydrophobicContact CG-CG 4.39Å
61H94.3Very high97.4Very high179 Ų17979.9 Ų79.983%0.82942%0.42SS*.SBendtrans-142.3104.2-175.4-57.1-63.9000110.7
62F97.2Very high97.4Very high59 Ų5974.7 Ų74.726%0.25940%0.397SS..  trans-153.7154.3170.265.6-87.6000111.1I57 Y75 A82 L84I57-F62 HydrophobicContact CG2-CD1 4.36Å; I57-F62 HydrophobicContact CG2-CD2 4.16Å; I57-F62 HydrophobicContact CG2-CE1 4.15Å; I57-F62 HydrophobicContact CG2-CE2 3.98Å; I57-F62 HydrophobicContact CG2-CG 4.36Å; I57-F62 HydrophobicContact CG2-CZ 3.96Å; F62-Y75 HydrophobicContact CE2-CE2 4.33Å; F62-Y75 HydrophobicContact CZ-CE2 4.03Å; F62-A82 HydrophobicContact CE1-CB 3.63Å; F62-A82 HydrophobicContact CZ-CB 3.99Å; F62-L84 HydrophobicContact CE2-CB 4.09Å; F62-L84 HydrophobicContact CE2-CD2 4.49Å; F62-L84 HydrophobicContact CZ-CB 4.1Å
63G96.6Very high97.5Very high77 Ų7771.9 Ų71.979%0.79438%0.376SS*.  trans-113.4149.9161.100000108.6
64S96.6Very high97.5Very high62 Ų6269.3 Ų69.343%0.43436%0.36SS..  trans-141.8152178.173.20000111L84S64-L84 VanDerWaalsContact OG-CD2 3.23Å; S64-L84 WeakPolarHBondContact OG-CD2 3.48Å
65Y97.2Very high97.5Very high227 Ų22771.7 Ų71.789%0.8937%0.37SS*.  trans-134.9105.7170-167.2-83000106.9
66V96.9Very high97.5Very high46 Ų4668.7 Ų68.728%0.27936%0.356SS..  trans-131.3148.4-171.9-59.20000110.6F73 L84 F86V66-F73 HydrophobicContact CG2-CE2 4.09Å; V66-L84 HydrophobicContact CG1-CD2 4.41Å; V66-L84 HydrophobicContact CG2-CD2 4.28Å; V66-F86 HydrophobicContact CB-CE1 4.27Å; V66-F86 HydrophobicContact CB-CE2 4.02Å; V66-F86 HydrophobicContact CB-CZ 3.89Å; V66-F86 HydrophobicContact CG1-CE1 4.02Å; V66-F86 HydrophobicContact CG1-CE2 4.4Å; V66-F86 HydrophobicContact CG1-CZ 3.77Å; V66-F86 HydrophobicContact CG2-CD1 4.18Å; V66-F86 HydrophobicContact CG2-CD2 4.33Å; V66-F86 HydrophobicContact CG2-CE1 4.15Å; V66-F86 HydrophobicContact CG2-CE2 4.3Å; V66-F86 HydrophobicContact CG2-CG 4.27Å; V66-F86 HydrophobicContact CG2-CZ 4.21Å
67T97.4Very high97.4Very high113 Ų11371.4 Ų71.469%0.69336%0.363SS*.  trans-97.3141.3166.8-54.40000108.3
68H97.7Very high97.3Very high63 Ų6368.3 Ų68.329%0.29235%0.348SS..  trans-137.8157.4-179.758.2-87.6000110.9F73 F86 K87H68-F73 HydrophobicContact CB-CB 4.34Å; H68-F73 HydrophobicContact CB-CD2 4.21Å; H68-F73 WeakPolarHBondContact CD2-CB 3.29Å; H68-F73 AromaticContact CD2-CG 3.95Å; H68-F73 AromaticContact CE1-CD2 3.66Å; H68-F73 AromaticContact CE1-CG 3.75Å; H68-F73 AromaticContact CG-CD2 3.68Å; H68-F73 AromaticContact CG-CG 3.99Å; H68-F73 AromaticContact ND1-CD2 3.38Å; H68-F73 WeakPolarHBondContact ND1-CD2 3.4Å; H68-F73 AromaticContact ND1-CG 3.88Å; H68-F73 WeakPolarHBondContact NE2-CB 3.4Å; H68-F73 AromaticContact NE2-CG 3.79Å; H68-F86 HydrophobicContact CB-CB 3.92Å; H68-F86 HydrophobicContact CB-CD2 4.04Å; H68-F86 HydrophobicContact CB-CG 4.41Å; H68-K87 CarbonylContact C-O 3.59Å; H68-K87 VanDerWaalsContact CA-O 3.26Å; H68-K87 WeakPolarHBondContact CA-O 3.32Å
69E97.4Very high97Very high64 Ų6472 Ų7230%0.29937%0.367SS..  trans-68141.3168.5-70164.5-133.600110.5N72 K87 S88 G89E69-N72 PolarHBondContact O-N 3.49Å; E69-K87 PolarHBondContact N-O 2.62Å; E69-K87 VanDerWaalsContact OE2-CD 3.32Å; E69-K87 WeakPolarHBondContact OE2-CD 3.22Å; E69-K87 VanDerWaalsContact OE2-CE 3.24Å; E69-K87 WeakPolarHBondContact OE2-CE 3.44Å; E69-S88 WeakPolarHBondContact OE1-CA 3.19Å; E69-G89 PolarHBondContact OE1-N 3.42Å
70T96.7Very high96.7Very high96 Ų9675.4 Ų75.459%0.58938%0.384SS*.THydrogen-bonded Turntrans-52.5141.6178-44.20000111.3N72T70-N72 PolarHBondContact O-N 3.01Å; T70-N72 PolarHBondContact O-ND2 2.79Å
71H97.3Very high96.7Very high122 Ų12271.2 Ų71.257%0.56537%0.368SS*.THydrogen-bonded Turntrans63.318.2178.3-54.4-42.8000115.5D12 M13D12-H71 VanDerWaalsContact CG-N 3.33Å; D12-H71 CarbonylContact O-C 2.88Å; D12-H71 WeakPolarHBondContact O-CA 3.49Å; D12-H71 IonicContact OD1-CE1 3.1Å; D12-H71 IonicContact OD1-CG 3.1Å; D12-H71 PolarHBondContact OD1-N 3.08Å; D12-H71 IonicContact OD1-ND1 2.74Å; D12-H71 PolarHBondContact OD1-ND1 3.14Å; D12-H71 PolarHBondContact OD2-N 2.97Å; M13-H71 WeakPolarHBondContact CB-O 3.35Å
72N98.2Very high96.9Very high28 Ų2862.8 Ų62.815%0.1533%0.329CS..  trans-133.546.7179.9-64.2-88.6000112.5D12 W54 E69 T70 F86 K87D12-N72 PolarHBondContact O-N 3.29Å; W54-N72 HydrophobicContact CH2-CB 3.81Å; W54-N72 HydrophobicContact CZ2-CB 4.23Å; W54-N72 WeakPolarHBondContact CZ2-OD1 3.41Å; W54-N72 HydrophobicContact CZ3-CB 4.35Å; E69-N72 PolarHBondContact O-N 3.49Å; T70-N72 PolarHBondContact O-N 3.01Å; T70-N72 PolarHBondContact O-ND2 2.79Å; N72-F86 CarbonylContact O-C 3.53Å; N72-F86 VanDerWaalsContact O-CA 3.22Å; N72-F86 WeakPolarHBondContact O-CA 3.36Å; N72-K87 HydrophobicContact CB-CB 3.43Å; N72-K87 VanDerWaalsContact CB-CB 3.43Å; N72-K87 HydrophobicContact CB-CD 4.23Å; N72-K87 HydrophobicContact CB-CG 4.47Å; N72-K87 PolarHBondContact O-N 3.24Å
73F98.6Very high96.9Very high20 Ų2060 Ų609%0.08832%0.317CS..EExtended strand (participates in β ladder)trans-139.2136.3178.9175.5-81.7000113.3N10 A11 D12 V66 H68 L84 F86N10-F73 HydrophobicContact CB-CE1 4.18Å; A11-F73 CarbonylContact C-O 3.59Å; A11-F73 WeakPolarHBondContact CA-O 3.3Å; D12-F73 CarbonylContact C-O 3.46Å; D12-F73 HydrophobicContact CB-CB 4.39Å; D12-F73 PolarHBondContact N-O 3.33Å; D12-F73 PolarHBondContact O-N 3.12Å; V66-F73 HydrophobicContact CG2-CE2 4.09Å; H68-F73 HydrophobicContact CB-CB 4.34Å; H68-F73 HydrophobicContact CB-CD2 4.21Å; H68-F73 WeakPolarHBondContact CD2-CB 3.29Å; H68-F73 AromaticContact CD2-CG 3.95Å; H68-F73 AromaticContact CE1-CD2 3.66Å; H68-F73 AromaticContact CE1-CG 3.75Å; H68-F73 AromaticContact CG-CD2 3.68Å; H68-F73 AromaticContact CG-CG 3.99Å; H68-F73 AromaticContact ND1-CD2 3.38Å; H68-F73 WeakPolarHBondContact ND1-CD2 3.4Å; H68-F73 AromaticContact ND1-CG 3.88Å; H68-F73 WeakPolarHBondContact NE2-CB 3.4Å; H68-F73 AromaticContact NE2-CG 3.79Å; F73-L84 HydrophobicContact CD2-CD1 4.49Å; F73-L84 HydrophobicContact CE2-CD1 3.52Å; F73-L84 HydrophobicContact CZ-CD1 3.57Å; F73-F86 HydrophobicContact CB-CB 4.45Å; F73-F86 HydrophobicContact CD2-CB 3.7Å; F73-F86 HydrophobicContact CE2-CB 4.47Å; F73-F86 HydrophobicContact CG-CB 4.48Å
74I98.7Very high97Very high0 Ų056.4 Ų56.40%028%0.28CS..EExtended strand (participates in β ladder)trans-146.4139.2169.5-166.7-179.2000111.6I8 A11 M13 Q18 A21 F76 L85I8-I74 HydrophobicContact CG2-CG1 4.46Å; A11-I74 HydrophobicContact CB-CG1 4.06Å; M13-I74 HydrophobicContact CE-CB 4.12Å; M13-I74 HydrophobicContact CE-CG2 4.02Å; M13-I74 HydrophobicContact CG-CB 4.41Å; M13-I74 HydrophobicContact SD-CB 3.76Å; M13-I74 HydrophobicContact SD-CD1 4.35Å; M13-I74 HydrophobicContact SD-CG2 3.94Å; Q18-I74 HydrophobicContact CB-CD1 3.88Å; Q18-I74 HydrophobicContact CG-CD1 3.86Å; A21-I74 HydrophobicContact CB-CD1 4.2Å; A21-I74 HydrophobicContact CB-CG2 4.12Å; I74-F76 HydrophobicContact CD1-CD1 3.74Å; I74-F76 HydrophobicContact CD1-CE1 4.22Å; I74-F76 HydrophobicContact CD1-CG 4.47Å; I74-F76 HydrophobicContact CG1-CD1 3.88Å; I74-F76 HydrophobicContact CG2-CD1 4.24Å; I74-F76 HydrophobicContact CG2-CE1 4.24Å; I74-L85 HydrophobicContact CG2-CB 3.8Å; I74-L85 HydrophobicContact CG2-CD2 4.2Å; I74-L85 HydrophobicContact CG2-CG 4.38Å; I74-L85 PolarHBondContact N-O 2.89Å; I74-L85 PolarHBondContact O-N 3Å
75Y98.7Very high97.1Very high50 Ų5053.6 Ų53.620%0.19626%0.259CS..EExtended strand (participates in β ladder)trans-128116.7170.4179.6-123.8000109.9K9 N10 F62 Y77 A82 F83 L84K9-Y75 HydrophobicContact CB-CD1 3.49Å; K9-Y75 VanDerWaalsContact CB-CD1 3.49Å; K9-Y75 HydrophobicContact CB-CE1 3.82Å; K9-Y75 HydrophobicContact CB-CG 4.42Å; K9-Y75 HydrophobicContact CG-CD1 4.16Å; K9-Y75 HydrophobicContact CG-CE1 4.03Å; K9-Y75 PolarHBondContact N-O 3Å; N10-Y75 PolarHBondContact N-O 3.09Å; N10-Y75 VanDerWaalsContact N-O 3.08Å; N10-Y75 PolarHBondContact O-N 2.95Å; F62-Y75 HydrophobicContact CE2-CE2 4.33Å; F62-Y75 HydrophobicContact CZ-CE2 4.03Å; Y75-Y77 HydrophobicContact CE1-CE2 4.16Å; Y75-Y77 AromaticContact CZ-CE2 3.82Å; Y75-Y77 WeakPolarHBondContact OH-CE2 3.24Å; Y75-Y77 PolarHBondContact OH-OH 2.8Å; Y75-Y77 VanDerWaalsContact OH-OH 3.08Å; Y75-A82 HydrophobicContact CE2-CB 3.91Å; Y75-F83 WeakPolarHBondContact CA-O 3.36Å; Y75-F83 WeakPolarHBondContact CD2-O 3.4Å; Y75-L84 HydrophobicContact CD2-CB 4.16Å; Y75-L84 HydrophobicContact CD2-CD1 4.04Å; Y75-L84 HydrophobicContact CG-CD1 4.32Å
76F98.4Very high97.2Very high3 Ų343.6 Ų43.61%0.01322%0.221CC..EExtended strand (participates in β ladder)trans-145.1160.3-177.268.5-82.6000112.4A6 V7 I8 A21 I22 A25 I74 L78 F83A6-F76 HydrophobicContact CB-CD2 4.48Å; V7-F76 CarbonylContact O-C 3.57Å; V7-F76 WeakPolarHBondContact O-CA 3.34Å; I8-F76 HydrophobicContact CB-CB 4.44Å; I8-F76 HydrophobicContact CG1-CB 4.2Å; A21-F76 HydrophobicContact CB-CE1 4.24Å; I22-F76 HydrophobicContact CG1-CD2 4.15Å; I22-F76 HydrophobicContact CG1-CE2 4.03Å; I22-F76 HydrophobicContact CG1-CZ 4.34Å; A25-F76 HydrophobicContact CB-CE2 4.07Å; A25-F76 HydrophobicContact CB-CZ 3.7Å; I74-F76 HydrophobicContact CD1-CD1 3.74Å; I74-F76 HydrophobicContact CD1-CE1 4.22Å; I74-F76 HydrophobicContact CD1-CG 4.47Å; I74-F76 HydrophobicContact CG1-CD1 3.88Å; I74-F76 HydrophobicContact CG2-CD1 4.24Å; I74-F76 HydrophobicContact CG2-CE1 4.24Å; F76-L78 HydrophobicContact CD2-CB 4.34Å; F76-L78 HydrophobicContact CE2-CB 4.12Å; F76-F83 HydrophobicContact CD1-CB 3.93Å; F76-F83 HydrophobicContact CD2-CB 4.3Å; F76-F83 HydrophobicContact CD2-CD2 4.38Å; F76-F83 HydrophobicContact CE1-CB 3.58Å; F76-F83 HydrophobicContact CE1-CG 4.32Å; F76-F83 HydrophobicContact CE2-CB 3.96Å; F76-F83 AromaticContact CE2-CD2 3.95Å; F76-F83 HydrophobicContact CE2-CD2 3.95Å; F76-F83 AromaticContact CE2-CG 3.94Å; F76-F83 HydrophobicContact CE2-CG 3.94Å; F76-F83 HydrophobicContact CG-CB 4.3Å; F76-F83 HydrophobicContact CZ-CB 3.59Å; F76-F83 HydrophobicContact CZ-CD1 4.31Å; F76-F83 HydrophobicContact CZ-CD2 4.31Å; F76-F83 AromaticContact CZ-CG 3.82Å; F76-F83 HydrophobicContact CZ-CG 3.82Å; F76-F83 PolarHBondContact N-O 3.46Å; F76-F83 PolarHBondContact O-N 3.01Å
77Y97.7Very high97.3Very high79 Ų7942.6 Ų42.631%0.3121%0.213SC..EExtended strand (participates in β ladder)trans-103.8139.9169.8-78-101.3000110A6 V7 K9 Y75 R81 A82A6-Y77 CarbonylContact C-O 3.56Å; A6-Y77 WeakPolarHBondContact CA-O 3.35Å; V7-Y77 PolarHBondContact N-O 2.7Å; V7-Y77 PolarHBondContact O-N 2.63Å; K9-Y77 HydrophobicContact CD-CD2 4.43Å; K9-Y77 HydrophobicContact CG-CD2 3.73Å; K9-Y77 HydrophobicContact CG-CE2 3.93Å; Y75-Y77 HydrophobicContact CE1-CE2 4.16Å; Y75-Y77 AromaticContact CZ-CE2 3.82Å; Y75-Y77 WeakPolarHBondContact OH-CE2 3.24Å; Y75-Y77 PolarHBondContact OH-OH 2.8Å; Y75-Y77 VanDerWaalsContact OH-OH 3.08Å; Y77-R81 WeakPolarHBondContact CA-O 3.32Å; Y77-A82 HydrophobicContact CD1-CB 4Å; Y77-A82 HydrophobicContact CD2-CB 4.46Å; Y77-A82 HydrophobicContact CE1-CB 3.62Å; Y77-A82 HydrophobicContact CE2-CB 4.12Å; Y77-A82 HydrophobicContact CG-CB 4.42Å
78L96.4Very high97.3Very high1 Ų139.5 Ų39.51%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-135.4122.9169.3-171.663.7000107.8R4 A6 A25 A26 I29 F76 D80 R81 F83R4-L78 HydrophobicContact CB-CD1 3.62Å; R4-L78 HydrophobicContact CB-CG 4.42Å; A6-L78 HydrophobicContact CB-CD1 4.08Å; A25-L78 HydrophobicContact CB-CD2 4.25Å; A26-L78 HydrophobicContact CB-CD2 3.95Å; I29-L78 HydrophobicContact CD1-CB 4.37Å; I29-L78 HydrophobicContact CD1-CD2 3.64Å; I29-L78 HydrophobicContact CD1-CG 3.99Å; F76-L78 HydrophobicContact CD2-CB 4.34Å; F76-L78 HydrophobicContact CE2-CB 4.12Å; L78-D80 PolarHBondContact O-N 3.44Å; L78-R81 PolarHBondContact N-O 3.31Å; L78-R81 PolarHBondContact O-N 3.08Å; L78-R81 VanDerWaalsContact O-N 3.12Å; L78-F83 HydrophobicContact CB-CD2 4.12Å; L78-F83 HydrophobicContact CB-CE2 3.78Å
79D90.9Very high97Very high90 Ų9042 Ų4248%0.48124%0.238SC..THydrogen-bonded Turntrans54.3-120-168.4-57.1-30.2000111.5R4R4-D79 VanDerWaalsContact CD-OD2 3.3Å; R4-D79 WeakPolarHBondContact CD-OD2 3.34Å; R4-D79 IonicContact NE-OD2 3.09Å; R4-D79 PolarHBondContact NE-OD2 3.45Å; R4-D79 VanDerWaalsContact NE-OD2 3.09Å
80D92Very high97Very high79 Ų7940.9 Ų40.942%0.42224%0.235SC..THydrogen-bonded Turntrans-1008.8179.769.4-31.4000113.5R60 L78R60-D80 IonicContact CZ-OD2 3.83Å; R60-D80 IonicContact NE-OD2 3.88Å; R60-D80 PolarHBondContact NE-OD2 2.98Å; R60-D80 IonicContact NH2-OD2 3.56Å; R60-D80 PolarHBondContact NH2-OD2 2.84Å; L78-D80 PolarHBondContact O-N 3.44Å
81R95.7Very high97Very high38 Ų3837.9 Ų37.914%0.14322%0.216CC..EExtended strand (participates in β ladder)trans-117.2139.8-173.3-66.3167.4-173.5178.3-6.5111.5V58 R60 Y77 L78 F83V58-R81 HydrophobicContact CG1-CB 4.41Å; R60-R81 HydrophobicContact CG-CG 4.39Å; Y77-R81 WeakPolarHBondContact CA-O 3.32Å; L78-R81 PolarHBondContact N-O 3.31Å; L78-R81 PolarHBondContact O-N 3.08Å; L78-R81 VanDerWaalsContact O-N 3.12Å; R81-F83 HydrophobicContact CB-CD2 4.5Å; R81-F83 HydrophobicContact CB-CE2 3.69Å; R81-F83 HydrophobicContact CB-CZ 4.21Å
82A98Very high97Very high1 Ų133.3 Ų33.31%0.00820%0.197CC..EExtended strand (participates in β ladder)trans-93.9141.8170.300000110.3V58 G59 F62 Y75 Y77V58-A82 WeakPolarHBondContact CA-O 3.41Å; G59-A82 PolarHBondContact N-O 3.07Å; G59-A82 WeakPolarHBondContact O-CB 3.13Å; G59-A82 PolarHBondContact O-N 3.33Å; F62-A82 HydrophobicContact CE1-CB 3.63Å; F62-A82 HydrophobicContact CZ-CB 3.99Å; Y75-A82 HydrophobicContact CE2-CB 3.91Å; Y77-A82 HydrophobicContact CD1-CB 4Å; Y77-A82 HydrophobicContact CD2-CB 4.46Å; Y77-A82 HydrophobicContact CE1-CB 3.62Å; Y77-A82 HydrophobicContact CE2-CB 4.12Å; Y77-A82 HydrophobicContact CG-CB 4.42Å
83F98.6Very high96.9Very high1 Ų133.6 Ų33.60%0.00420%0.2CC..EExtended strand (participates in β ladder)trans-123.7120.9-179.2-68.3-99.4000108.4A25 I29 I38 I42 I57 V58 Y75 F76 L78 R81A25-F83 HydrophobicContact CB-CD1 3.96Å; A25-F83 HydrophobicContact CB-CE1 3.88Å; A25-F83 HydrophobicContact CB-CZ 4.39Å; I29-F83 HydrophobicContact CD1-CE2 4.13Å; I29-F83 HydrophobicContact CD1-CZ 3.69Å; I29-F83 HydrophobicContact CG1-CZ 3.93Å; I38-F83 HydrophobicContact CG2-CE1 3.74Å; I38-F83 HydrophobicContact CG2-CZ 4.31Å; I42-F83 HydrophobicContact CD1-CD1 3.6Å; I42-F83 HydrophobicContact CD1-CE1 3.61Å; I57-F83 WeakPolarHBondContact O-CA 3.42Å; V58-F83 HydrophobicContact CB-CD1 4.48Å; V58-F83 HydrophobicContact CB-CE1 4.33Å; V58-F83 HydrophobicContact CG1-CD1 4.26Å; V58-F83 HydrophobicContact CG1-CE1 3.77Å; V58-F83 HydrophobicContact CG1-CE2 4.46Å; V58-F83 HydrophobicContact CG1-CZ 3.86Å; V58-F83 HydrophobicContact CG2-CD1 3.53Å; V58-F83 HydrophobicContact CG2-CE1 3.55Å; V58-F83 HydrophobicContact CG2-CG 4.43Å; V58-F83 HydrophobicContact CG2-CZ 4.46Å; Y75-F83 WeakPolarHBondContact CA-O 3.36Å; Y75-F83 WeakPolarHBondContact CD2-O 3.4Å; F76-F83 HydrophobicContact CD1-CB 3.93Å; F76-F83 HydrophobicContact CD2-CB 4.3Å; F76-F83 HydrophobicContact CD2-CD2 4.38Å; F76-F83 HydrophobicContact CE1-CB 3.58Å; F76-F83 HydrophobicContact CE1-CG 4.32Å; F76-F83 HydrophobicContact CE2-CB 3.96Å; F76-F83 AromaticContact CE2-CD2 3.95Å; F76-F83 HydrophobicContact CE2-CD2 3.95Å; F76-F83 AromaticContact CE2-CG 3.94Å; F76-F83 HydrophobicContact CE2-CG 3.94Å; F76-F83 HydrophobicContact CG-CB 4.3Å; F76-F83 HydrophobicContact CZ-CB 3.59Å; F76-F83 HydrophobicContact CZ-CD1 4.31Å; F76-F83 HydrophobicContact CZ-CD2 4.31Å; F76-F83 AromaticContact CZ-CG 3.82Å; F76-F83 HydrophobicContact CZ-CG 3.82Å; F76-F83 PolarHBondContact N-O 3.46Å; F76-F83 PolarHBondContact O-N 3.01Å; L78-F83 HydrophobicContact CB-CD2 4.12Å; L78-F83 HydrophobicContact CB-CE2 3.78Å; R81-F83 HydrophobicContact CB-CD2 4.5Å; R81-F83 HydrophobicContact CB-CE2 3.69Å; R81-F83 HydrophobicContact CB-CZ 4.21Å
84L98.7Very high96.8Very high2 Ų234.4 Ų34.41%0.0121%0.207CC..EExtended strand (participates in β ladder)trans-113.5119.2169.3-178.872.7000107.9C56 I57 F62 S64 V66 F73 Y75 F86C56-L84 CarbonylContact C-O 3.55Å; C56-L84 VanDerWaalsContact CA-O 3.31Å; C56-L84 WeakPolarHBondContact CA-O 3.48Å; I57-L84 HydrophobicContact CB-CB 4.23Å; I57-L84 HydrophobicContact CD1-CD2 4.07Å; I57-L84 PolarHBondContact N-O 2.99Å; I57-L84 PolarHBondContact O-N 2.89Å; F62-L84 HydrophobicContact CE2-CB 4.09Å; F62-L84 HydrophobicContact CE2-CD2 4.49Å; F62-L84 HydrophobicContact CZ-CB 4.1Å; S64-L84 VanDerWaalsContact OG-CD2 3.23Å; S64-L84 WeakPolarHBondContact OG-CD2 3.48Å; V66-L84 HydrophobicContact CG1-CD2 4.41Å; V66-L84 HydrophobicContact CG2-CD2 4.28Å; F73-L84 HydrophobicContact CD2-CD1 4.49Å; F73-L84 HydrophobicContact CE2-CD1 3.52Å; F73-L84 HydrophobicContact CZ-CD1 3.57Å; Y75-L84 HydrophobicContact CD2-CB 4.16Å; Y75-L84 HydrophobicContact CD2-CD1 4.04Å; Y75-L84 HydrophobicContact CG-CD1 4.32Å; L84-F86 HydrophobicContact CD2-CD1 4.14Å; L84-F86 HydrophobicContact CD2-CE1 4.07Å; L84-F86 HydrophobicContact CG-CD1 4.02Å; L84-F86 HydrophobicContact CG-CE1 4.4Å
85L98.8Very high96.7Very high2 Ų236.7 Ų36.71%0.0122%0.221CC..EExtended strand (participates in β ladder)trans-130.3122.4-179.2176.767.3000108.4A21 I42 F46 W54 H55 C56 I74A21-L85 HydrophobicContact CB-CD2 4.06Å; I42-L85 HydrophobicContact CG2-CD1 3.98Å; I42-L85 HydrophobicContact CG2-CD2 3.89Å; F46-L85 HydrophobicContact CD1-CD2 3.74Å; F46-L85 HydrophobicContact CD1-CG 4.43Å; F46-L85 HydrophobicContact CD2-CD2 3.75Å; F46-L85 HydrophobicContact CE1-CD2 3.61Å; F46-L85 HydrophobicContact CE2-CD2 3.62Å; F46-L85 HydrophobicContact CG-CD1 4.36Å; F46-L85 HydrophobicContact CG-CD2 3.82Å; F46-L85 HydrophobicContact CZ-CD2 3.57Å; W54-L85 HydrophobicContact CE3-CD1 3.78Å; W54-L85 HydrophobicContact CE3-CD2 4.44Å; W54-L85 HydrophobicContact CE3-CG 3.76Å; W54-L85 HydrophobicContact CZ3-CD1 4.47Å; W54-L85 HydrophobicContact CZ3-CD2 4.42Å; W54-L85 HydrophobicContact CZ3-CG 3.95Å; H55-L85 WeakPolarHBondContact O-CA 3.28Å; H55-L85 WeakPolarHBondContact O-CD1 2.97Å; C56-L85 HydrophobicContact CB-CD1 3.95Å; I74-L85 HydrophobicContact CG2-CB 3.8Å; I74-L85 HydrophobicContact CG2-CD2 4.2Å; I74-L85 HydrophobicContact CG2-CG 4.38Å; I74-L85 PolarHBondContact N-O 2.89Å; I74-L85 PolarHBondContact O-N 3Å
86F98.7Very high96.5Very high18 Ų1835.8 Ų35.88%0.07922%0.222CC..EExtended strand (participates in β ladder)trans-151.2152.8-176.768.1-81.2000112.3W54 H55 V66 H68 N72 F73 L84W54-F86 CarbonylContact C-O 3.56Å; H55-F86 HydrophobicContact CB-CD1 4.08Å; H55-F86 HydrophobicContact CB-CD2 4.33Å; H55-F86 HydrophobicContact CB-CE1 3.61Å; H55-F86 HydrophobicContact CB-CE2 3.89Å; H55-F86 HydrophobicContact CB-CG 4.42Å; H55-F86 HydrophobicContact CB-CZ 3.5Å; H55-F86 AromaticContact CD2-CE2 3.82Å; H55-F86 AromaticContact CG-CE2 3.99Å; H55-F86 AromaticContact CG-CZ 3.95Å; H55-F86 PolarHBondContact N-O 3.19Å; H55-F86 PolarHBondContact O-N 2.79Å; V66-F86 HydrophobicContact CB-CE1 4.27Å; V66-F86 HydrophobicContact CB-CE2 4.02Å; V66-F86 HydrophobicContact CB-CZ 3.89Å; V66-F86 HydrophobicContact CG1-CE1 4.02Å; V66-F86 HydrophobicContact CG1-CE2 4.4Å; V66-F86 HydrophobicContact CG1-CZ 3.77Å; V66-F86 HydrophobicContact CG2-CD1 4.18Å; V66-F86 HydrophobicContact CG2-CD2 4.33Å; V66-F86 HydrophobicContact CG2-CE1 4.15Å; V66-F86 HydrophobicContact CG2-CE2 4.3Å; V66-F86 HydrophobicContact CG2-CG 4.27Å; V66-F86 HydrophobicContact CG2-CZ 4.21Å; H68-F86 HydrophobicContact CB-CB 3.92Å; H68-F86 HydrophobicContact CB-CD2 4.04Å; H68-F86 HydrophobicContact CB-CG 4.41Å; N72-F86 CarbonylContact O-C 3.53Å; N72-F86 VanDerWaalsContact O-CA 3.22Å; N72-F86 WeakPolarHBondContact O-CA 3.36Å; F73-F86 HydrophobicContact CB-CB 4.45Å; F73-F86 HydrophobicContact CD2-CB 3.7Å; F73-F86 HydrophobicContact CE2-CB 4.47Å; F73-F86 HydrophobicContact CG-CB 4.48Å; L84-F86 HydrophobicContact CD2-CD1 4.14Å; L84-F86 HydrophobicContact CD2-CE1 4.07Å; L84-F86 HydrophobicContact CG-CD1 4.02Å; L84-F86 HydrophobicContact CG-CE1 4.4Å
87K98.6Very high96.4Very high24 Ų2438.3 Ų38.310%0.10424%0.238CC..EExtended strand (participates in β ladder)trans-99.6135.9175-164.5177.8172.1156.70111.1Y50 H51 P52 T53 W54 H68 E69 N72Y50-K87 PolarHBondContact O-NZ 3.12Å; H51-K87 PolarHBondContact O-NZ 2.77Å; P52-K87 WeakPolarHBondContact O-CE 3.41Å; P52-K87 PolarHBondContact O-NZ 2.8Å; T53-K87 WeakPolarHBondContact O-CA 3.44Å; T53-K87 WeakPolarHBondContact O-CG 3.36Å; W54-K87 HydrophobicContact CD2-CB 4.1Å; W54-K87 HydrophobicContact CD2-CG 4.46Å; W54-K87 HydrophobicContact CE3-CB 4.21Å; W54-K87 HydrophobicContact CH2-CB 4.45Å; W54-K87 HydrophobicContact CZ2-CB 4.33Å; W54-K87 HydrophobicContact CZ2-CD 4.33Å; W54-K87 HydrophobicContact CZ3-CB 4.39Å; H68-K87 CarbonylContact C-O 3.59Å; H68-K87 VanDerWaalsContact CA-O 3.26Å; H68-K87 WeakPolarHBondContact CA-O 3.32Å; E69-K87 PolarHBondContact N-O 2.62Å; E69-K87 VanDerWaalsContact OE2-CD 3.32Å; E69-K87 WeakPolarHBondContact OE2-CD 3.22Å; E69-K87 VanDerWaalsContact OE2-CE 3.24Å; E69-K87 WeakPolarHBondContact OE2-CE 3.44Å; N72-K87 HydrophobicContact CB-CB 3.43Å; N72-K87 VanDerWaalsContact CB-CB 3.43Å; N72-K87 HydrophobicContact CB-CD 4.23Å; N72-K87 HydrophobicContact CB-CG 4.47Å; N72-K87 PolarHBondContact O-N 3.24Å
88S97Very high96.3Very high48 Ų4834.9 Ų34.934%0.33623%0.233SC..  trans-160.7112.5174175.20000109.3T53 H55 E69T53-S88 PolarHBondContact O-N 3.22Å; H55-S88 PolarHBondContact NE2-O 3.23Å; E69-S88 WeakPolarHBondContact OE1-CA 3.19Å
89G91.8Very high96.3Very high115 Ų11538 Ų38100%1.18625%0.253SS*.  trans1780171.600000114.4E69E69-G89 PolarHBondContact OE1-N 3.42Å

Retrieved 89 of 89 residues in 20.1 ms (Link to these results)

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