A0A3Q0KUT2_SCHMA Loading...

Dynein light chain

AlphaFold DB , UniProt , Accession A0A3Q0KUT2, 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
1M45.5Very low82.4Confident203 Ų20393.6 Ų93.6100%152%0.519SS*.  0124.30-75.6-171.4-106.100107F3M1-F3 PolarHBondContact O-N 3.07Å
2S57.7Low83.7Confident119 Ų11991.1 Ų91.183%0.83250%0.504SS*.  trans-75.2114.3176.7135.50000108.2G4S2-G4 PolarHBondContact O-N 3.18Å
3F63.6Low84.7Confident50 Ų5085.2 Ų85.222%0.21947%0.471CS..  trans-70.316.3-179.8-75-74.4000114.8M1 R29 E30 L78 G79M1-F3 PolarHBondContact O-N 3.07Å; F3-R29 HydrophobicContact CD1-CB 4.25Å; F3-R29 HydrophobicContact CD2-CB 4.12Å; F3-R29 HydrophobicContact CE1-CB 4.02Å; F3-R29 HydrophobicContact CE2-CB 3.89Å; F3-R29 HydrophobicContact CG-CB 4.3Å; F3-R29 HydrophobicContact CZ-CB 3.83Å; F3-R29 VanDerWaalsContact CZ-O 3.24Å; F3-R29 WeakPolarHBondContact CZ-O 3.39Å; F3-E30 HydrophobicContact CD2-CG 4.11Å; F3-E30 HydrophobicContact CE2-CB 4.38Å; F3-E30 HydrophobicContact CE2-CG 3.51Å; F3-L78 HydrophobicContact CB-CD1 3.99Å; F3-L78 HydrophobicContact CB-CD2 4.3Å; F3-L78 HydrophobicContact CB-CG 3.96Å; F3-G79 WeakPolarHBondContact O-CA 3.49Å; F3-G79 PolarHBondContact O-N 2.92Å; F3-G79 VanDerWaalsContact O-N 3.14Å
4G71.5Confident85.6Confident41 Ų4187.4 Ų87.442%0.42348%0.476SS..  trans72.6162-175.700000111.9S2 A6 L78S2-G4 PolarHBondContact O-N 3.18Å; G4-A6 PolarHBondContact O-N 3.29Å; G4-L78 WeakPolarHBondContact O-CD1 3.37Å
5K86.9Confident86.4Confident197 Ų19787.6 Ų87.686%0.85748%0.483SS*.  trans-64.5133.5173.9-173.2177.8177.2178.80109
6A95.4Very high87.1Confident25 Ų2589.1 Ų89.121%0.20750%0.495CS..  trans-63.1140.717400000111G4 V22 F76 F77 L78G4-A6 PolarHBondContact O-N 3.29Å; A6-V22 HydrophobicContact CB-CB 4.32Å; A6-V22 HydrophobicContact CB-CG1 3.46Å; A6-V22 VanDerWaalsContact CB-CG1 3.46Å; A6-V22 HydrophobicContact CB-CG2 3.83Å; A6-F76 HydrophobicContact CB-CD2 4.27Å; A6-F77 CarbonylContact C-O 3.57Å; A6-F77 VanDerWaalsContact CA-O 3.28Å; A6-F77 WeakPolarHBondContact CA-O 3.42Å; A6-L78 HydrophobicContact CB-CD1 4.32Å
7V96.6Very high87.8Confident73 Ų7385.4 Ų85.444%0.44247%0.474SS..EExtended strand (participates in β ladder)trans-116.398.4177-177.80000108.3K9 F76 F77V7-K9 HydrophobicContact CG1-CD 4.31Å; V7-K9 PolarHBondContact O-N 3.17Å; V7-F76 CarbonylContact O-C 3.59Å; V7-F76 WeakPolarHBondContact O-CA 3.09Å; V7-F77 HydrophobicContact CB-CB 4.39Å; V7-F77 PolarHBondContact N-O 2.82Å; V7-F77 PolarHBondContact O-N 2.75Å
8V97.2Very high88.4Confident63 Ų6383.3 Ų83.338%0.38246%0.46SS..EExtended strand (participates in β ladder)trans-69.7126.7174.3-176.20000109A11 I74 F76V8-A11 HydrophobicContact CG1-CB 4Å; V8-I74 HydrophobicContact CG1-CG1 4.33Å; V8-I74 HydrophobicContact CG2-CD1 4.49Å; V8-F76 HydrophobicContact CB-CB 4.36Å; V8-F76 HydrophobicContact CG2-CB 4.11Å
9K97Very high88.8Confident129 Ų12985.1 Ų85.156%0.56147%0.465SS*.EExtended strand (participates in β ladder)trans-101.4-38.8179.7-67.7-61.3-175-178.70111.8V7 Y75 F77V7-K9 HydrophobicContact CG1-CD 4.31Å; V7-K9 PolarHBondContact O-N 3.17Å; K9-Y75 HydrophobicContact CB-CD1 3.56Å; K9-Y75 HydrophobicContact CB-CE1 3.87Å; K9-Y75 HydrophobicContact CB-CG 4.48Å; K9-Y75 HydrophobicContact CG-CD1 4.24Å; K9-Y75 HydrophobicContact CG-CE1 4.1Å; K9-Y75 PolarHBondContact N-O 2.84Å; K9-F77 HydrophobicContact CD-CD2 4.49Å; K9-F77 HydrophobicContact CG-CD2 3.77Å; K9-F77 HydrophobicContact CG-CE2 3.96Å
10N97.2Very high89.3Confident97 Ų9781.8 Ų81.852%0.51945%0.446SS..EExtended strand (participates in β ladder)trans-152.9145.9173.9-164.96.9000109.4F73 Y75N10-F73 HydrophobicContact CB-CE1 4.16Å; N10-Y75 PolarHBondContact N-O 3.46Å; N10-Y75 VanDerWaalsContact N-O 3.13Å; N10-Y75 PolarHBondContact O-N 3.43Å
11A97.7Very high89.7Confident33 Ų3377.9 Ų77.927%0.27343%0.425SS..EExtended strand (participates in β ladder)trans-154.9133.9177.700000110.4V8 Q18 F73 I74V8-A11 HydrophobicContact CG1-CB 4Å; A11-Q18 HydrophobicContact CB-CG 4.29Å; A11-F73 CarbonylContact C-O 3.4Å; A11-F73 WeakPolarHBondContact CA-O 3.32Å; A11-I74 HydrophobicContact CB-CB 4.45Å; A11-I74 HydrophobicContact CB-CG1 3.97Å
12D97.8Very high92.2Very high63 Ų6369.8 Ų69.834%0.33739%0.387SS..EExtended strand (participates in β ladder)trans-124.783163.5176.129.5000106.9R71 S72 F73D12-R71 CarbonylContact O-C 3.6Å; D12-R71 WeakPolarHBondContact O-CA 3.44Å; D12-R71 PolarHBondContact OD2-N 3.25Å; D12-S72 PolarHBondContact O-N 3.08Å; D12-F73 CarbonylContact C-O 3.59Å; D12-F73 HydrophobicContact CB-CB 4.42Å; D12-F73 PolarHBondContact N-O 2.85Å; D12-F73 PolarHBondContact O-N 3.08Å
13M97.5Very high94.1Very high15 Ų1569.1 Ų69.17%0.07437%0.371CS..SBendtrans-173162.4174.956.7172.458.100109.8M17 Q18 W54 R71 F73 I74M13-M17 HydrophobicContact CB-CB 4.44Å; M13-M17 HydrophobicContact CB-CG 4.5Å; M13-M17 HydrophobicContact CB-SD 3.86Å; M13-M17 HydrophobicContact CE-CG 4.3Å; M13-M17 HydrophobicContact CE-SD 3.93Å; M13-M17 HydrophobicContact CG-SD 4.49Å; M13-M17 HydrophobicContact SD-CB 4.05Å; M13-M17 HydrophobicContact SD-CG 3.72Å; M13-M17 HydrophobicContact SD-SD 3.98Å; M13-Q18 HydrophobicContact CG-CG 3.48Å; M13-Q18 VanDerWaalsContact CG-CG 3.48Å; M13-Q18 PolarHBondContact O-NE2 3.39Å; M13-Q18 HydrophobicContact SD-CB 4.46Å; M13-Q18 HydrophobicContact SD-CG 3.81Å; M13-W54 HydrophobicContact CE-CH2 4.14Å; M13-W54 HydrophobicContact CE-CZ3 4.13Å; M13-R71 VanDerWaalsContact CB-O 3.3Å; M13-R71 WeakPolarHBondContact CB-O 3.42Å; M13-F73 VanDerWaalsContact CE-C 3.43Å; M13-I74 HydrophobicContact CE-CB 3.75Å; M13-I74 HydrophobicContact CE-CG2 3.69Å; M13-I74 HydrophobicContact CG-CB 4.46Å; M13-I74 HydrophobicContact SD-CB 3.76Å; M13-I74 HydrophobicContact SD-CD1 4.3Å; M13-I74 HydrophobicContact SD-CG2 3.91Å
14E97.2Very high95.8Very high116 Ų11667.5 Ų67.554%0.54236%0.364SS..  trans-63146.3179.9-67.8-63.915100112.9V16 M17 Q18E14-V16 PolarHBondContact O-N 3.32Å; E14-V16 VanDerWaalsContact O-N 3.12Å; E14-M17 WeakPolarHBondContact O-CA 3.24Å; E14-M17 WeakPolarHBondContact O-CB 3.42Å; E14-M17 PolarHBondContact O-N 2.96Å; E14-Q18 PolarHBondContact O-N 3.14Å; E14-Q18 VanDerWaalsContact O-N 3.08Å
15P97.3Very high97Very high90 Ų9065.5 Ų65.558%0.58434%0.344SS*.Hα-helixtrans-53.6-37.4-177.6-2835000114.4M17 Q18 E19P15-M17 VanDerWaalsContact C-N 3.31Å; P15-M17 PolarHBondContact O-N 3.12Å; P15-Q18 WeakPolarHBondContact O-CB 3.41Å; P15-Q18 PolarHBondContact O-N 2.88Å; P15-E19 PolarHBondContact O-N 3.19Å
16V97.6Very high97.5Very high111 Ų11157.5 Ų57.567%0.67331%0.314SS*.Hα-helixtrans-64-37.4177.9179.30000111.5E14 D20E14-V16 PolarHBondContact O-N 3.32Å; E14-V16 VanDerWaalsContact O-N 3.12Å; V16-D20 PolarHBondContact O-N 3.03Å; V16-D20 VanDerWaalsContact O-N 3.13Å
17M98.2Very high97.5Very high26 Ų2658.8 Ų58.813%0.12832%0.319CS..Hα-helixtrans-72.5-36176.8-170.8-178.2-11800111.3M13 E14 P15 D20 A21 F46 Y50 W54M13-M17 HydrophobicContact CB-CB 4.44Å; M13-M17 HydrophobicContact CB-CG 4.5Å; M13-M17 HydrophobicContact CB-SD 3.86Å; M13-M17 HydrophobicContact CE-CG 4.3Å; M13-M17 HydrophobicContact CE-SD 3.93Å; M13-M17 HydrophobicContact CG-SD 4.49Å; M13-M17 HydrophobicContact SD-CB 4.05Å; M13-M17 HydrophobicContact SD-CG 3.72Å; M13-M17 HydrophobicContact SD-SD 3.98Å; E14-M17 WeakPolarHBondContact O-CA 3.24Å; E14-M17 WeakPolarHBondContact O-CB 3.42Å; E14-M17 PolarHBondContact O-N 2.96Å; P15-M17 VanDerWaalsContact C-N 3.31Å; P15-M17 PolarHBondContact O-N 3.12Å; M17-D20 PolarHBondContact O-N 3.43Å; M17-A21 WeakPolarHBondContact O-CB 3.37Å; M17-A21 PolarHBondContact O-N 3.43Å; M17-F46 HydrophobicContact CE-CE1 4.33Å; M17-F46 HydrophobicContact CG-CE1 3.8Å; M17-F46 HydrophobicContact CG-CZ 4.34Å; M17-F46 HydrophobicContact SD-CE1 4.39Å; M17-Y50 HydrophobicContact CE-CD1 3.25Å; M17-Y50 HydrophobicContact CE-CD2 3.57Å; M17-Y50 HydrophobicContact CE-CE1 3.63Å; M17-Y50 HydrophobicContact CE-CE2 3.93Å; M17-Y50 HydrophobicContact CE-CG 3.2Å; M17-Y50 HydrophobicContact CG-CE1 4.46Å; M17-Y50 HydrophobicContact CG-CE2 4.24Å; M17-W54 HydrophobicContact CE-CH2 3.82Å; M17-W54 HydrophobicContact CE-CZ2 3.64Å; M17-W54 HydrophobicContact SD-CH2 3.92Å; M17-W54 HydrophobicContact SD-CZ2 4.36Å
18Q98.4Very high97.6Very high48 Ų4855.3 Ų55.322%0.22430%0.298CS..Hα-helixtrans-62.6-43.2173.7-58.5-176.728.500111.5A11 M13 E14 P15 A21 V22 I74A11-Q18 HydrophobicContact CB-CG 4.29Å; M13-Q18 HydrophobicContact CG-CG 3.48Å; M13-Q18 VanDerWaalsContact CG-CG 3.48Å; M13-Q18 PolarHBondContact O-NE2 3.39Å; M13-Q18 HydrophobicContact SD-CB 4.46Å; M13-Q18 HydrophobicContact SD-CG 3.81Å; E14-Q18 PolarHBondContact O-N 3.14Å; E14-Q18 VanDerWaalsContact O-N 3.08Å; P15-Q18 WeakPolarHBondContact O-CB 3.41Å; P15-Q18 PolarHBondContact O-N 2.88Å; Q18-A21 WeakPolarHBondContact O-CB 3.31Å; Q18-A21 PolarHBondContact O-N 3.28Å; Q18-V22 WeakPolarHBondContact O-CG2 3.28Å; Q18-V22 PolarHBondContact O-N 3.27Å; Q18-I74 HydrophobicContact CB-CD1 3.83Å; Q18-I74 HydrophobicContact CG-CD1 3.95Å
19E97.4Very high97.5Very high118 Ų11854 Ų5455%0.55129%0.286SS*.Hα-helixtrans-63.6-43.9178-170.9173-171.400111.4P15 A21 V22 Q23P15-E19 PolarHBondContact O-N 3.19Å; E19-A21 VanDerWaalsContact C-N 3.34Å; E19-A21 PolarHBondContact O-N 2.86Å; E19-V22 PolarHBondContact O-N 2.94Å; E19-Q23 HydrophobicContact CG-CG 4.35Å; E19-Q23 WeakPolarHBondContact O-CB 3.4Å; E19-Q23 VanDerWaalsContact O-CG 3.28Å; E19-Q23 WeakPolarHBondContact O-CG 3.49Å; E19-Q23 PolarHBondContact O-N 2.86Å; E19-Q23 PolarHBondContact OE1-NE2 3.36Å
20D98.2Very high97.4Very high18 Ų1854.2 Ų54.210%0.09629%0.29CS..Hα-helixtrans-61.1-40.6174.4-170.735.4000111.9V16 M17 V22 Q23 I24 H45 K49 Y50V16-D20 PolarHBondContact O-N 3.03Å; V16-D20 VanDerWaalsContact O-N 3.13Å; M17-D20 PolarHBondContact O-N 3.43Å; D20-V22 PolarHBondContact O-N 3.27Å; D20-Q23 PolarHBondContact O-N 2.92Å; D20-I24 WeakPolarHBondContact O-CB 3.3Å; D20-I24 VanDerWaalsContact O-CG2 3.3Å; D20-I24 WeakPolarHBondContact O-CG2 3.42Å; D20-I24 PolarHBondContact O-N 2.94Å; D20-H45 IonicContact OD1-CE1 3.86Å; D20-H45 IonicContact OD1-NE2 3.07Å; D20-H45 PolarHBondContact OD1-NE2 2.86Å; D20-H45 VanDerWaalsContact OD1-NE2 3.07Å; D20-H45 IonicContact OD2-CD2 3.89Å; D20-H45 IonicContact OD2-NE2 3.18Å; D20-H45 PolarHBondContact OD2-NE2 3.25Å; D20-K49 VanDerWaalsContact CG-NZ 3.25Å; D20-K49 IonicContact OD1-NZ 2.76Å; D20-K49 PolarHBondContact OD1-NZ 2.82Å; D20-K49 WeakPolarHBondContact OD2-CD 3.5Å; D20-K49 WeakPolarHBondContact OD2-CE 3.23Å; D20-K49 IonicContact OD2-NZ 3.17Å; D20-K49 PolarHBondContact OD2-NZ 2.83Å; D20-Y50 VanDerWaalsContact OD2-CE2 3.28Å; D20-Y50 WeakPolarHBondContact OD2-CE2 3.49Å; D20-Y50 PolarHBondContact OD2-OH 2.85Å
21A98.5Very high97.3Very high0 Ų055.5 Ų55.50%029%0.291CS..Hα-helixtrans-59.9-44.7175.500000112M17 Q18 E19 I24 A25 F46 I74 F76 L85M17-A21 WeakPolarHBondContact O-CB 3.37Å; M17-A21 PolarHBondContact O-N 3.43Å; Q18-A21 WeakPolarHBondContact O-CB 3.31Å; Q18-A21 PolarHBondContact O-N 3.28Å; E19-A21 VanDerWaalsContact C-N 3.34Å; E19-A21 PolarHBondContact O-N 2.86Å; A21-I24 WeakPolarHBondContact O-CG2 3.26Å; A21-A25 WeakPolarHBondContact O-CB 3.38Å; A21-A25 PolarHBondContact O-N 3.44Å; A21-A25 VanDerWaalsContact O-N 3.08Å; A21-F46 HydrophobicContact CB-CE2 4.13Å; A21-F46 HydrophobicContact CB-CZ 3.62Å; A21-I74 HydrophobicContact CB-CD1 4.3Å; A21-I74 HydrophobicContact CB-CG2 4.08Å; A21-F76 HydrophobicContact CB-CE1 4.24Å; A21-L85 HydrophobicContact CB-CD2 4.01Å
22V97.8Very high97.3Very high33 Ų3358.1 Ų58.120%0.229%0.294CS..Hα-helixtrans-68.1-45.1178.3169.70000111.2A6 Q18 E19 D20 A25 A26 F76A6-V22 HydrophobicContact CB-CB 4.32Å; A6-V22 HydrophobicContact CB-CG1 3.46Å; A6-V22 VanDerWaalsContact CB-CG1 3.46Å; A6-V22 HydrophobicContact CB-CG2 3.83Å; Q18-V22 WeakPolarHBondContact O-CG2 3.28Å; Q18-V22 PolarHBondContact O-N 3.27Å; E19-V22 PolarHBondContact O-N 2.94Å; D20-V22 PolarHBondContact O-N 3.27Å; V22-A25 PolarHBondContact O-N 3.31Å; V22-A26 PolarHBondContact O-N 3.23Å; V22-F76 HydrophobicContact CB-CE2 4.48Å; V22-F76 HydrophobicContact CG2-CD2 4.03Å; V22-F76 HydrophobicContact CG2-CE2 3.93Å; V22-F76 HydrophobicContact CG2-CG 4.42Å; V22-F76 HydrophobicContact CG2-CZ 4.25Å
23Q97.1Very high97.1Very high105 Ų10564.1 Ų64.149%0.49132%0.32SS..Hα-helixtrans-63.4-48.2-179.9-73.8179.52.100111.3E19 D20 A25 A26 V27E19-Q23 HydrophobicContact CG-CG 4.35Å; E19-Q23 WeakPolarHBondContact O-CB 3.4Å; E19-Q23 VanDerWaalsContact O-CG 3.28Å; E19-Q23 WeakPolarHBondContact O-CG 3.49Å; E19-Q23 PolarHBondContact O-N 2.86Å; E19-Q23 PolarHBondContact OE1-NE2 3.36Å; D20-Q23 PolarHBondContact O-N 2.92Å; Q23-A25 VanDerWaalsContact C-N 3.29Å; Q23-A25 PolarHBondContact O-N 3.47Å; Q23-A26 PolarHBondContact O-N 2.93Å; Q23-V27 WeakPolarHBondContact O-CG2 3.4Å; Q23-V27 PolarHBondContact O-N 3.14Å
24I98.2Very high97.1Very high16 Ų1667.1 Ų67.18%0.08234%0.339CS..Hα-helixtrans-66.6-33.9179.8-160.667.5000111.6D20 A21 V27 A28 Y41 I42 H45 F46D20-I24 WeakPolarHBondContact O-CB 3.3Å; D20-I24 VanDerWaalsContact O-CG2 3.3Å; D20-I24 WeakPolarHBondContact O-CG2 3.42Å; D20-I24 PolarHBondContact O-N 2.94Å; A21-I24 WeakPolarHBondContact O-CG2 3.26Å; I24-V27 PolarHBondContact O-N 3.28Å; I24-A28 VanDerWaalsContact O-CB 3.31Å; I24-A28 WeakPolarHBondContact O-CB 3.36Å; I24-A28 PolarHBondContact O-N 3.1Å; I24-Y41 HydrophobicContact CD1-CD1 4.31Å; I24-Y41 HydrophobicContact CD1-CE1 3.53Å; I24-Y41 HydrophobicContact CG1-CD1 4.15Å; I24-Y41 HydrophobicContact CG1-CE1 3.85Å; I24-I42 HydrophobicContact CG2-CB 4.45Å; I24-I42 HydrophobicContact CG2-CG1 4.26Å; I24-I42 HydrophobicContact CG2-CG2 3.97Å; I24-H45 HydrophobicContact CD1-CB 4.25Å; I24-H45 HydrophobicContact CG1-CB 3.86Å; I24-F46 HydrophobicContact CG2-CD2 4.36Å; I24-F46 HydrophobicContact CG2-CE2 3.87Å
25A98Very high97.2Very high0 Ų063.8 Ų63.80%033%0.325CS..Hα-helixtrans-65.4-40.7173.500000112.2A21 V22 Q23 A28 R29 I42 F76 L78 I83A21-A25 WeakPolarHBondContact O-CB 3.38Å; A21-A25 PolarHBondContact O-N 3.44Å; A21-A25 VanDerWaalsContact O-N 3.08Å; V22-A25 PolarHBondContact O-N 3.31Å; Q23-A25 VanDerWaalsContact C-N 3.29Å; Q23-A25 PolarHBondContact O-N 3.47Å; A25-A28 PolarHBondContact O-N 3.39Å; A25-R29 WeakPolarHBondContact O-CG 3.4Å; A25-R29 PolarHBondContact O-N 2.95Å; A25-I42 HydrophobicContact CB-CD1 3.77Å; A25-I42 HydrophobicContact CB-CG1 4.41Å; A25-F76 HydrophobicContact CB-CE2 3.96Å; A25-F76 HydrophobicContact CB-CZ 3.71Å; A25-L78 HydrophobicContact CB-CD2 4.33Å; A25-I83 HydrophobicContact CB-CD1 3.56Å
26A96.6Very high97.2Very high28 Ų2866.5 Ų66.523%0.23133%0.327CS..Hα-helixtrans-61.5-46.1174.700000111.6V22 Q23 A28 R29 E30 L78V22-A26 PolarHBondContact O-N 3.23Å; Q23-A26 PolarHBondContact O-N 2.93Å; A26-A28 VanDerWaalsContact C-N 3.32Å; A26-A28 PolarHBondContact O-N 3.45Å; A26-R29 PolarHBondContact O-N 3.27Å; A26-E30 PolarHBondContact O-N 3.46Å; A26-E30 VanDerWaalsContact O-N 3.08Å; A26-L78 HydrophobicContact CB-CD2 4.08Å
27V96.6Very high97.3Very high52 Ų5264 Ų6432%0.31531%0.31SS..Hα-helixtrans-61.2-41.7174.7174.80000111.4Q23 I24 E30 K31 Y41Q23-V27 WeakPolarHBondContact O-CG2 3.4Å; Q23-V27 PolarHBondContact O-N 3.14Å; I24-V27 PolarHBondContact O-N 3.28Å; V27-E30 PolarHBondContact O-N 3.43Å; V27-K31 HydrophobicContact CG1-CD 4.1Å; V27-K31 WeakPolarHBondContact O-CG 3.4Å; V27-K31 PolarHBondContact O-N 3.2Å; V27-Y41 HydrophobicContact CG1-CE1 4.26Å
28A97.5Very high97.3Very high0 Ų063 Ų630%031%0.305CS..Hα-helixtrans-62.8-42.5178.200000111.7I24 A25 A26 E30 K31 Y32 I38 Y41 I42I24-A28 VanDerWaalsContact O-CB 3.31Å; I24-A28 WeakPolarHBondContact O-CB 3.36Å; I24-A28 PolarHBondContact O-N 3.1Å; A25-A28 PolarHBondContact O-N 3.39Å; A26-A28 VanDerWaalsContact C-N 3.32Å; A26-A28 PolarHBondContact O-N 3.45Å; A28-E30 VanDerWaalsContact C-N 3.3Å; A28-E30 PolarHBondContact O-N 3.22Å; A28-K31 PolarHBondContact O-N 2.95Å; A28-Y32 WeakPolarHBondContact O-CD2 3.47Å; A28-Y32 PolarHBondContact O-N 3.49Å; A28-I38 HydrophobicContact CB-CB 4.45Å; A28-I38 HydrophobicContact CB-CG2 3.77Å; A28-Y41 HydrophobicContact CB-CD1 3.68Å; A28-Y41 HydrophobicContact CB-CE1 4.37Å; A28-Y41 HydrophobicContact CB-CG 4.33Å; A28-I42 HydrophobicContact CB-CD1 4.47Å; A28-I42 HydrophobicContact CB-CG1 4.08Å
29R95.2Very high97.3Very high35 Ų3561.2 Ų61.213%0.13230%0.299CS..Hα-helixtrans-67-26.9176.7-73.6-158.871.8-178.74.8113.8F3 A25 A26 I38 L78 D80F3-R29 HydrophobicContact CD1-CB 4.25Å; F3-R29 HydrophobicContact CD2-CB 4.12Å; F3-R29 HydrophobicContact CE1-CB 4.02Å; F3-R29 HydrophobicContact CE2-CB 3.89Å; F3-R29 HydrophobicContact CG-CB 4.3Å; F3-R29 HydrophobicContact CZ-CB 3.83Å; F3-R29 VanDerWaalsContact CZ-O 3.24Å; F3-R29 WeakPolarHBondContact CZ-O 3.39Å; A25-R29 WeakPolarHBondContact O-CG 3.4Å; A25-R29 PolarHBondContact O-N 2.95Å; A26-R29 PolarHBondContact O-N 3.27Å; R29-I38 HydrophobicContact CG-CD1 4.24Å; R29-I38 HydrophobicContact CG-CG2 4.4Å; R29-L78 HydrophobicContact CG-CD2 4.15Å; R29-L78 PolarHBondContact NH1-O 3.06Å; R29-D80 IonicContact CZ-OD1 3.64Å; R29-D80 IonicContact NH1-OD1 2.77Å; R29-D80 IonicContact NH2-OD1 2.86Å; R29-D80 PolarHBondContact NH2-OD1 2.83Å
30E94.8Very high97.4Very high135 Ų13558.2 Ų58.263%0.63129%0.289SS*.Hα-helixtrans-74-30.7172.2-74.8-178.7170.700112.5F3 A26 V27 A28F3-E30 HydrophobicContact CD2-CG 4.11Å; F3-E30 HydrophobicContact CE2-CB 4.38Å; F3-E30 HydrophobicContact CE2-CG 3.51Å; A26-E30 PolarHBondContact O-N 3.46Å; A26-E30 VanDerWaalsContact O-N 3.08Å; V27-E30 PolarHBondContact O-N 3.43Å; A28-E30 VanDerWaalsContact C-N 3.3Å; A28-E30 PolarHBondContact O-N 3.22Å
31K96.3Very high97.4Very high124 Ų12459.8 Ų59.854%0.53929%0.294SS..Hα-helixtrans-91.8-31.1-174.8-71.7-179.1-179.2-177.20114.3V27 A28 Y41V27-K31 HydrophobicContact CG1-CD 4.1Å; V27-K31 WeakPolarHBondContact O-CG 3.4Å; V27-K31 PolarHBondContact O-N 3.2Å; A28-K31 PolarHBondContact O-N 2.95Å; K31-Y41 PolarHBondContact NZ-OH 3.43Å
32Y97.1Very high97.4Very high88 Ų8859.9 Ų59.935%0.34529%0.294SS..  trans-130.2139-170.6-52.9-73.4000111.2A28 D37 Y41A28-Y32 WeakPolarHBondContact O-CD2 3.47Å; A28-Y32 PolarHBondContact O-N 3.49Å; Y32-D37 HydrophobicContact CD1-CB 3.99Å; Y32-D37 HydrophobicContact CG-CB 4.05Å; Y32-Y41 HydrophobicContact CE2-CD1 4.49Å; Y32-Y41 AromaticContact CE2-CD2 3.53Å; Y32-Y41 HydrophobicContact CE2-CD2 3.53Å; Y32-Y41 HydrophobicContact CE2-CE2 4.19Å; Y32-Y41 AromaticContact CE2-CG 3.69Å; Y32-Y41 HydrophobicContact CE2-CG 3.69Å; Y32-Y41 AromaticContact CZ-CD2 3.97Å; Y32-Y41 WeakPolarHBondContact OH-CD2 3.35Å
33E94.5Very high97.5Very high188 Ų18860.7 Ų60.788%0.87930%0.295SS*.SBendtrans-92.7-27.8173.7-64.1-172.6163.700112.7
34V97.7Very high97.5Very high79 Ų7959.8 Ų59.848%0.47929%0.291SS..SBendtrans-85.5123.3-175.5-179.90000110.2K36 D37 I38V34-K36 HydrophobicContact CG1-CB 4.09Å; V34-K36 PolarHBondContact O-N 3.39Å; V34-K36 VanDerWaalsContact O-N 3.14Å; V34-D37 HydrophobicContact CB-CB 4.4Å; V34-D37 PolarHBondContact O-N 2.94Å; V34-I38 PolarHBondContact O-N 3.43Å; V34-I38 VanDerWaalsContact O-N 3.12Å
35D98Very high97.6Very high46 Ų4661.4 Ų61.425%0.24630%0.298CS..Hα-helixtrans-52.7-39.2-177.6-70.9-14.6000113D37 I38 A39 V58 R81D35-D37 VanDerWaalsContact C-N 3.33Å; D35-D37 PolarHBondContact O-N 2.77Å; D35-I38 PolarHBondContact O-N 2.91Å; D35-A39 WeakPolarHBondContact O-CB 3.45Å; D35-A39 PolarHBondContact O-N 3.18Å; D35-V58 HydrophobicContact CB-CB 4.21Å; D35-V58 HydrophobicContact CB-CG1 4.08Å; D35-R81 IonicContact OD1-CZ 3.43Å; D35-R81 IonicContact OD1-NE 3.71Å; D35-R81 PolarHBondContact OD1-NE 3.02Å; D35-R81 IonicContact OD1-NH2 3.65Å; D35-R81 IonicContact OD2-NE 2.62Å; D35-R81 PolarHBondContact OD2-NE 3.4Å
36K98.3Very high97.6Very high146 Ų14661.4 Ų61.464%0.63530%0.298SS*.Hα-helixtrans-60.6-40.3176.3-173.3-162.268.1172.40112.6V34 T40V34-K36 HydrophobicContact CG1-CB 4.09Å; V34-K36 PolarHBondContact O-N 3.39Å; V34-K36 VanDerWaalsContact O-N 3.14Å; K36-T40 WeakPolarHBondContact O-CB 3.46Å; K36-T40 PolarHBondContact O-N 3.07Å; K36-T40 PolarHBondContact O-OG1 3.1Å
37D98.6Very high97.7Very high59 Ų5961.1 Ų61.132%0.31629%0.293SS..Hα-helixtrans-76.3-36.8-176.5-61.2-20.9000110.3Y32 V34 D35 T40 Y41Y32-D37 HydrophobicContact CD1-CB 3.99Å; Y32-D37 HydrophobicContact CG-CB 4.05Å; V34-D37 HydrophobicContact CB-CB 4.4Å; V34-D37 PolarHBondContact O-N 2.94Å; D35-D37 VanDerWaalsContact C-N 3.33Å; D35-D37 PolarHBondContact O-N 2.77Å; D37-T40 PolarHBondContact O-N 3.05Å; D37-Y41 WeakPolarHBondContact O-CB 3.45Å; D37-Y41 PolarHBondContact O-N 2.92Å
38I98.5Very high97.8Very high4 Ų467.4 Ų67.42%0.02131%0.311CS..Hα-helixtrans-57.4-53.2169.2-60.7168.4000110A28 R29 V34 D35 T40 Y41 I42 V58A28-I38 HydrophobicContact CB-CB 4.45Å; A28-I38 HydrophobicContact CB-CG2 3.77Å; R29-I38 HydrophobicContact CG-CD1 4.24Å; R29-I38 HydrophobicContact CG-CG2 4.4Å; V34-I38 PolarHBondContact O-N 3.43Å; V34-I38 VanDerWaalsContact O-N 3.12Å; D35-I38 PolarHBondContact O-N 2.91Å; I38-T40 VanDerWaalsContact C-N 3.32Å; I38-T40 PolarHBondContact O-N 2.93Å; I38-Y41 PolarHBondContact O-N 3.17Å; I38-I42 HydrophobicContact CG2-CD1 3.9Å; I38-I42 WeakPolarHBondContact O-CG1 3.3Å; I38-I42 PolarHBondContact O-N 2.61Å; I38-I42 VanDerWaalsContact O-N 3.1Å; I38-V58 HydrophobicContact CB-CG2 4.44Å; I38-V58 HydrophobicContact CG2-CG1 4.34Å; I38-V58 HydrophobicContact CG2-CG2 4Å
39A98.8Very high97.8Very high11 Ų1172.9 Ų72.99%0.09134%0.335CS..Hα-helixtrans-58.7-44.2179.900000111.9D35 Y41 I42 K43 C56 V58D35-A39 WeakPolarHBondContact O-CB 3.45Å; D35-A39 PolarHBondContact O-N 3.18Å; A39-Y41 VanDerWaalsContact C-N 3.35Å; A39-Y41 PolarHBondContact O-N 2.76Å; A39-I42 PolarHBondContact O-N 3.08Å; A39-K43 VanDerWaalsContact O-CB 3.23Å; A39-K43 WeakPolarHBondContact O-CB 3.18Å; A39-K43 PolarHBondContact O-N 3.28Å; A39-C56 HydrophobicContact CB-CB 4.23Å; A39-C56 WeakPolarHBondContact O-CB 3.4Å; A39-V58 HydrophobicContact CB-CB 4.34Å; A39-V58 HydrophobicContact CB-CG2 3.78Å
40T98.7Very high97.9Very high56 Ų5674.3 Ų74.334%0.34434%0.341SS..Hα-helixtrans-61.7-42.7178.4-60.70000111.4K36 D37 I38 K43 Q44K36-T40 WeakPolarHBondContact O-CB 3.46Å; K36-T40 PolarHBondContact O-N 3.07Å; K36-T40 PolarHBondContact O-OG1 3.1Å; D37-T40 PolarHBondContact O-N 3.05Å; I38-T40 VanDerWaalsContact C-N 3.32Å; I38-T40 PolarHBondContact O-N 2.93Å; T40-K43 PolarHBondContact O-N 3.44Å; T40-Q44 HydrophobicContact CG2-CG 4.33Å; T40-Q44 WeakPolarHBondContact O-CB 3.47Å; T40-Q44 VanDerWaalsContact O-CG 3.26Å; T40-Q44 WeakPolarHBondContact O-CG 3.22Å; T40-Q44 PolarHBondContact O-N 3.41Å
41Y98.8Very high98.1Very high51 Ų5169.6 Ų69.620%0.233%0.328CS..Hα-helixtrans-63.8-46.9179.5-173.7-93.8000112.3I24 V27 A28 K31 Y32 D37 I38 A39 Q44 H45I24-Y41 HydrophobicContact CD1-CD1 4.31Å; I24-Y41 HydrophobicContact CD1-CE1 3.53Å; I24-Y41 HydrophobicContact CG1-CD1 4.15Å; I24-Y41 HydrophobicContact CG1-CE1 3.85Å; V27-Y41 HydrophobicContact CG1-CE1 4.26Å; A28-Y41 HydrophobicContact CB-CD1 3.68Å; A28-Y41 HydrophobicContact CB-CE1 4.37Å; A28-Y41 HydrophobicContact CB-CG 4.33Å; K31-Y41 PolarHBondContact NZ-OH 3.43Å; Y32-Y41 HydrophobicContact CE2-CD1 4.49Å; Y32-Y41 AromaticContact CE2-CD2 3.53Å; Y32-Y41 HydrophobicContact CE2-CD2 3.53Å; Y32-Y41 HydrophobicContact CE2-CE2 4.19Å; Y32-Y41 AromaticContact CE2-CG 3.69Å; Y32-Y41 HydrophobicContact CE2-CG 3.69Å; Y32-Y41 AromaticContact CZ-CD2 3.97Å; Y32-Y41 WeakPolarHBondContact OH-CD2 3.35Å; D37-Y41 WeakPolarHBondContact O-CB 3.45Å; D37-Y41 PolarHBondContact O-N 2.92Å; I38-Y41 PolarHBondContact O-N 3.17Å; A39-Y41 VanDerWaalsContact C-N 3.35Å; A39-Y41 PolarHBondContact O-N 2.76Å; Y41-Q44 PolarHBondContact O-N 3.47Å; Y41-H45 PolarHBondContact O-N 2.77Å; Y41-H45 VanDerWaalsContact O-N 3.1Å
42I98.8Very high98.1Very high1 Ų172.4 Ų72.41%0.00534%0.335CS..Hα-helixtrans-61.7-49.7177.3-61.1166.6000110I24 A25 A28 I38 A39 Q44 H45 F46 I83 L85I24-I42 HydrophobicContact CG2-CB 4.45Å; I24-I42 HydrophobicContact CG2-CG1 4.26Å; I24-I42 HydrophobicContact CG2-CG2 3.97Å; A25-I42 HydrophobicContact CB-CD1 3.77Å; A25-I42 HydrophobicContact CB-CG1 4.41Å; A28-I42 HydrophobicContact CB-CD1 4.47Å; A28-I42 HydrophobicContact CB-CG1 4.08Å; I38-I42 HydrophobicContact CG2-CD1 3.9Å; I38-I42 WeakPolarHBondContact O-CG1 3.3Å; I38-I42 PolarHBondContact O-N 2.61Å; I38-I42 VanDerWaalsContact O-N 3.1Å; A39-I42 PolarHBondContact O-N 3.08Å; I42-Q44 PolarHBondContact O-N 3.39Å; I42-H45 WeakPolarHBondContact O-CB 3.28Å; I42-H45 PolarHBondContact O-N 3.13Å; I42-F46 HydrophobicContact CG2-CD2 4.29Å; I42-F46 PolarHBondContact O-N 3.03Å; I42-I83 HydrophobicContact CD1-CD1 4.37Å; I42-I83 HydrophobicContact CD1-CG2 4.15Å; I42-L85 HydrophobicContact CG2-CD1 4.02Å; I42-L85 HydrophobicContact CG2-CD2 3.86Å; I42-L85 HydrophobicContact CG2-CG 4.48Å
43K98.8Very high98.2Very high50 Ų5070.5 Ų70.522%0.21733%0.332CS..Hα-helixtrans-54.1-49.7177.9-174.8-150.9-176.4-47.10111.8A39 T40 H45 F46 D47 W54 C56A39-K43 VanDerWaalsContact O-CB 3.23Å; A39-K43 WeakPolarHBondContact O-CB 3.18Å; A39-K43 PolarHBondContact O-N 3.28Å; T40-K43 PolarHBondContact O-N 3.44Å; K43-H45 VanDerWaalsContact C-N 3.32Å; K43-H45 PolarHBondContact O-N 2.96Å; K43-F46 PolarHBondContact O-N 3.44Å; K43-D47 IonicContact NZ-OD1 3.61Å; K43-D47 IonicContact NZ-OD2 2.75Å; K43-D47 PolarHBondContact NZ-OD2 3.12Å; K43-D47 WeakPolarHBondContact O-CB 3.43Å; K43-D47 PolarHBondContact O-N 2.95Å; K43-W54 WeakPolarHBondContact CE-O 3.48Å; K43-W54 HydrophobicContact CG-CB 4.34Å; K43-W54 WeakPolarHBondContact CG-O 3.4Å; K43-W54 PolarHBondContact NZ-O 2.99Å; K43-C56 HydrophobicContact CB-CB 4.06Å
44Q98.7Very high98.4Very high87 Ų8761.6 Ų61.641%0.40729%0.291SS..Hα-helixtrans-67.5-30.8-178.1-73.7179.53.800113.1T40 Y41 I42 R48T40-Q44 HydrophobicContact CG2-CG 4.33Å; T40-Q44 WeakPolarHBondContact O-CB 3.47Å; T40-Q44 VanDerWaalsContact O-CG 3.26Å; T40-Q44 WeakPolarHBondContact O-CG 3.22Å; T40-Q44 PolarHBondContact O-N 3.41Å; Y41-Q44 PolarHBondContact O-N 3.47Å; I42-Q44 PolarHBondContact O-N 3.39Å; Q44-R48 WeakPolarHBondContact O-CB 3.28Å; Q44-R48 VanDerWaalsContact O-CG 3.3Å; Q44-R48 WeakPolarHBondContact O-CG 3.19Å; Q44-R48 PolarHBondContact O-N 3.3Å; Q44-R48 PolarHBondContact O-NE 2.92Å
45H98.7Very high98.4Very high49 Ų4960.6 Ų60.623%0.22728%0.281CS..Hα-helixtrans-65-49.1172177.487.3000110.4D20 I24 Y41 I42 K43 R48 K49D20-H45 IonicContact OD1-CE1 3.86Å; D20-H45 IonicContact OD1-NE2 3.07Å; D20-H45 PolarHBondContact OD1-NE2 2.86Å; D20-H45 VanDerWaalsContact OD1-NE2 3.07Å; D20-H45 IonicContact OD2-CD2 3.89Å; D20-H45 IonicContact OD2-NE2 3.18Å; D20-H45 PolarHBondContact OD2-NE2 3.25Å; I24-H45 HydrophobicContact CD1-CB 4.25Å; I24-H45 HydrophobicContact CG1-CB 3.86Å; Y41-H45 PolarHBondContact O-N 2.77Å; Y41-H45 VanDerWaalsContact O-N 3.1Å; I42-H45 WeakPolarHBondContact O-CB 3.28Å; I42-H45 PolarHBondContact O-N 3.13Å; K43-H45 VanDerWaalsContact C-N 3.32Å; K43-H45 PolarHBondContact O-N 2.96Å; H45-R48 PolarHBondContact O-N 2.94Å; H45-K49 WeakPolarHBondContact O-CB 3.02Å; H45-K49 PolarHBondContact O-N 2.76Å
46F98.7Very high98.5Very high0 Ų059.5 Ų59.50%028%0.276CS..Hα-helixtrans-67.3-41-178.9-90.6-107.7000113.1M17 A21 I24 I42 K43 R48 K49 Y50 W54 L85M17-F46 HydrophobicContact CE-CE1 4.33Å; M17-F46 HydrophobicContact CG-CE1 3.8Å; M17-F46 HydrophobicContact CG-CZ 4.34Å; M17-F46 HydrophobicContact SD-CE1 4.39Å; A21-F46 HydrophobicContact CB-CE2 4.13Å; A21-F46 HydrophobicContact CB-CZ 3.62Å; I24-F46 HydrophobicContact CG2-CD2 4.36Å; I24-F46 HydrophobicContact CG2-CE2 3.87Å; I42-F46 HydrophobicContact CG2-CD2 4.29Å; I42-F46 PolarHBondContact O-N 3.03Å; K43-F46 PolarHBondContact O-N 3.44Å; F46-R48 VanDerWaalsContact C-N 3.26Å; F46-R48 PolarHBondContact O-N 3.26Å; F46-K49 PolarHBondContact O-N 2.62Å; F46-Y50 HydrophobicContact CB-CD2 4.3Å; F46-Y50 AromaticContact CD1-CD2 3.38Å; F46-Y50 HydrophobicContact CD1-CD2 3.38Å; F46-Y50 AromaticContact CD1-CE2 3.74Å; F46-Y50 HydrophobicContact CD1-CE2 3.74Å; F46-Y50 HydrophobicContact CD1-CG 4.45Å; F46-Y50 HydrophobicContact CD2-CE2 4.47Å; F46-Y50 AromaticContact CE1-CD2 3.66Å; F46-Y50 HydrophobicContact CE1-CD2 3.66Å; F46-Y50 AromaticContact CE1-CE2 3.54Å; F46-Y50 HydrophobicContact CE1-CE2 3.54Å; F46-Y50 HydrophobicContact CE2-CE2 4.27Å; F46-Y50 AromaticContact CG-CD2 3.86Å; F46-Y50 HydrophobicContact CG-CD2 3.86Å; F46-Y50 HydrophobicContact CG-CE2 4.19Å; F46-Y50 HydrophobicContact CZ-CD2 4.32Å; F46-Y50 AromaticContact CZ-CE2 3.8Å; F46-Y50 HydrophobicContact CZ-CE2 3.8Å; F46-Y50 WeakPolarHBondContact O-CA 3.47Å; F46-Y50 WeakPolarHBondContact O-CB 3.28Å; F46-Y50 PolarHBondContact O-N 3.45Å; F46-W54 VanDerWaalsContact C-CD1 3.45Å; F46-W54 HydrophobicContact CB-CB 4.14Å; F46-W54 HydrophobicContact CB-CD2 3.7Å; F46-W54 HydrophobicContact CB-CE3 4.27Å; F46-W54 HydrophobicContact CB-CG 3.61Å; F46-W54 AromaticContact CD1-CD2 3.79Å; F46-W54 HydrophobicContact CD1-CD2 3.79Å; F46-W54 AromaticContact CD1-CE2 3.75Å; F46-W54 AromaticContact CD1-CE3 3.77Å; F46-W54 HydrophobicContact CD1-CE3 3.77Å; F46-W54 AromaticContact CD1-CH2 3.68Å; F46-W54 HydrophobicContact CD1-CH2 3.68Å; 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 4.06Å; F46-W54 HydrophobicContact CE1-CZ2 4.4Å; F46-W54 HydrophobicContact CE1-CZ3 4.18Å; F46-W54 HydrophobicContact CG-CD2 4.19Å; F46-W54 HydrophobicContact CG-CE3 4.35Å; F46-W54 PolarHBondContact O-NE1 3.48Å; F46-L85 HydrophobicContact CD1-CD2 3.74Å; F46-L85 HydrophobicContact CD1-CG 4.45Å; F46-L85 HydrophobicContact CD2-CD2 3.78Å; F46-L85 HydrophobicContact CE1-CD2 3.65Å; F46-L85 HydrophobicContact CE2-CD2 3.72Å; F46-L85 HydrophobicContact CG-CD1 4.41Å; F46-L85 HydrophobicContact CG-CD2 3.83Å; F46-L85 HydrophobicContact CZ-CD2 3.67Å
47D98.5Very high98.5Very high22 Ų2255.6 Ų55.612%0.11826%0.262CS..Hα-helixtrans-55.4-41.4171.9-84.4-16.8000112.2K43 G51 R52 W54K43-D47 IonicContact NZ-OD1 3.61Å; K43-D47 IonicContact NZ-OD2 2.75Å; K43-D47 PolarHBondContact NZ-OD2 3.12Å; K43-D47 WeakPolarHBondContact O-CB 3.43Å; K43-D47 PolarHBondContact O-N 2.95Å; D47-G51 CarbonylContact O-C 3.5Å; D47-G51 VanDerWaalsContact O-CA 3.28Å; D47-G51 WeakPolarHBondContact O-CA 3.5Å; D47-G51 PolarHBondContact O-N 3.42Å; D47-R52 HydrophobicContact CB-CG 3.92Å; D47-W54 WeakPolarHBondContact OD1-CB 3.5Å; D47-W54 PolarHBondContact OD1-N 2.62Å
48R98.5Very high98.5Very high184 Ų18453.6 Ų53.669%0.69425%0.252SS*.Hα-helixtrans-75.1-41.2-178.6-78.7-177.5-86.2-159.2-5.2112.5Q44 H45 F46Q44-R48 WeakPolarHBondContact O-CB 3.28Å; Q44-R48 VanDerWaalsContact O-CG 3.3Å; Q44-R48 WeakPolarHBondContact O-CG 3.19Å; Q44-R48 PolarHBondContact O-N 3.3Å; Q44-R48 PolarHBondContact O-NE 2.92Å; H45-R48 PolarHBondContact O-N 2.94Å; F46-R48 VanDerWaalsContact C-N 3.26Å; F46-R48 PolarHBondContact O-N 3.26Å
49K98.4Very high98.4Very high116 Ų11653.8 Ų53.850%0.50425%0.254SS..Hα-helixtrans-86.7-35.8-172.7-171.5172.3174.4-172.70113.3D20 H45 F46D20-K49 VanDerWaalsContact CG-NZ 3.25Å; D20-K49 IonicContact OD1-NZ 2.76Å; D20-K49 PolarHBondContact OD1-NZ 2.82Å; D20-K49 WeakPolarHBondContact OD2-CD 3.5Å; D20-K49 WeakPolarHBondContact OD2-CE 3.23Å; D20-K49 IonicContact OD2-NZ 3.17Å; D20-K49 PolarHBondContact OD2-NZ 2.83Å; H45-K49 WeakPolarHBondContact O-CB 3.02Å; H45-K49 PolarHBondContact O-N 2.76Å; F46-K49 PolarHBondContact O-N 2.62Å
50Y97.9Very high98.3Very high65 Ų6559.6 Ų59.626%0.25528%0.278SS..Hα-helixtrans-119.57.1-172.2-54.8-67.7000113.5M17 D20 F46 W54M17-Y50 HydrophobicContact CE-CD1 3.25Å; M17-Y50 HydrophobicContact CE-CD2 3.57Å; M17-Y50 HydrophobicContact CE-CE1 3.63Å; M17-Y50 HydrophobicContact CE-CE2 3.93Å; M17-Y50 HydrophobicContact CE-CG 3.2Å; M17-Y50 HydrophobicContact CG-CE1 4.46Å; M17-Y50 HydrophobicContact CG-CE2 4.24Å; D20-Y50 VanDerWaalsContact OD2-CE2 3.28Å; D20-Y50 WeakPolarHBondContact OD2-CE2 3.49Å; D20-Y50 PolarHBondContact OD2-OH 2.85Å; F46-Y50 HydrophobicContact CB-CD2 4.3Å; F46-Y50 AromaticContact CD1-CD2 3.38Å; F46-Y50 HydrophobicContact CD1-CD2 3.38Å; F46-Y50 AromaticContact CD1-CE2 3.74Å; F46-Y50 HydrophobicContact CD1-CE2 3.74Å; F46-Y50 HydrophobicContact CD1-CG 4.45Å; F46-Y50 HydrophobicContact CD2-CE2 4.47Å; F46-Y50 AromaticContact CE1-CD2 3.66Å; F46-Y50 HydrophobicContact CE1-CD2 3.66Å; F46-Y50 AromaticContact CE1-CE2 3.54Å; F46-Y50 HydrophobicContact CE1-CE2 3.54Å; F46-Y50 HydrophobicContact CE2-CE2 4.27Å; F46-Y50 AromaticContact CG-CD2 3.86Å; F46-Y50 HydrophobicContact CG-CD2 3.86Å; F46-Y50 HydrophobicContact CG-CE2 4.19Å; F46-Y50 HydrophobicContact CZ-CD2 4.32Å; F46-Y50 AromaticContact CZ-CE2 3.8Å; F46-Y50 HydrophobicContact CZ-CE2 3.8Å; F46-Y50 WeakPolarHBondContact O-CA 3.47Å; F46-Y50 WeakPolarHBondContact O-CB 3.28Å; F46-Y50 PolarHBondContact O-N 3.45Å; Y50-W54 HydrophobicContact CG-CZ2 4.49Å
51G97.6Very high98.1Very high35 Ų3566 Ų6636%0.36130%0.304SS..  trans80.2150.6179.900000113D47 W54D47-G51 CarbonylContact O-C 3.5Å; D47-G51 VanDerWaalsContact O-CA 3.28Å; D47-G51 WeakPolarHBondContact O-CA 3.5Å; D47-G51 PolarHBondContact O-N 3.42Å; G51-W54 PolarHBondContact O-NE1 3.16Å
52R97.7Very high97.9Very high184 Ų18466.5 Ų66.569%0.69431%0.306SS*.SBendtrans-72.3155.9-180-59.3-179.871.8-178.1-0.4110.8D47 K87D47-R52 HydrophobicContact CB-CG 3.92Å; R52-K87 WeakPolarHBondContact O-CE 3.43Å
53T97.4Very high97.8Very high47 Ų4770.2 Ų70.229%0.28834%0.344SS..  cis-116.8112.35-55.70000111.7K87 S88T53-K87 WeakPolarHBondContact O-CG 3.29Å; T53-S88 PolarHBondContact O-N 2.91Å
54W98.7Very high97.7Very high1 Ų170.8 Ų70.80%0.00436%0.355CS..EExtended strand (participates in β ladder)trans-85.2149.3172.5-69.182.3000111.5M13 M17 K43 F46 D47 Y50 G51 L85 Y86 K87M13-W54 HydrophobicContact CE-CH2 4.14Å; M13-W54 HydrophobicContact CE-CZ3 4.13Å; M17-W54 HydrophobicContact CE-CH2 3.82Å; M17-W54 HydrophobicContact CE-CZ2 3.64Å; M17-W54 HydrophobicContact SD-CH2 3.92Å; M17-W54 HydrophobicContact SD-CZ2 4.36Å; K43-W54 WeakPolarHBondContact CE-O 3.48Å; K43-W54 HydrophobicContact CG-CB 4.34Å; K43-W54 WeakPolarHBondContact CG-O 3.4Å; K43-W54 PolarHBondContact NZ-O 2.99Å; F46-W54 VanDerWaalsContact C-CD1 3.45Å; F46-W54 HydrophobicContact CB-CB 4.14Å; F46-W54 HydrophobicContact CB-CD2 3.7Å; F46-W54 HydrophobicContact CB-CE3 4.27Å; F46-W54 HydrophobicContact CB-CG 3.61Å; F46-W54 AromaticContact CD1-CD2 3.79Å; F46-W54 HydrophobicContact CD1-CD2 3.79Å; F46-W54 AromaticContact CD1-CE2 3.75Å; F46-W54 AromaticContact CD1-CE3 3.77Å; F46-W54 HydrophobicContact CD1-CE3 3.77Å; F46-W54 AromaticContact CD1-CH2 3.68Å; F46-W54 HydrophobicContact CD1-CH2 3.68Å; 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 4.06Å; F46-W54 HydrophobicContact CE1-CZ2 4.4Å; F46-W54 HydrophobicContact CE1-CZ3 4.18Å; F46-W54 HydrophobicContact CG-CD2 4.19Å; F46-W54 HydrophobicContact CG-CE3 4.35Å; F46-W54 PolarHBondContact O-NE1 3.48Å; D47-W54 WeakPolarHBondContact OD1-CB 3.5Å; D47-W54 PolarHBondContact OD1-N 2.62Å; Y50-W54 HydrophobicContact CG-CZ2 4.49Å; G51-W54 PolarHBondContact O-NE1 3.16Å; W54-L85 HydrophobicContact CB-CD1 4.48Å; W54-L85 HydrophobicContact CE3-CD1 3.76Å; W54-L85 HydrophobicContact CE3-CD2 4.45Å; W54-L85 HydrophobicContact CE3-CG 3.77Å; W54-L85 HydrophobicContact CZ3-CD1 4.47Å; W54-L85 HydrophobicContact CZ3-CD2 4.45Å; W54-L85 HydrophobicContact CZ3-CG 3.98Å; W54-Y86 CarbonylContact C-O 2.88Å; W54-Y86 WeakPolarHBondContact CA-O 3.3Å; W54-K87 HydrophobicContact CD2-CB 4Å; W54-K87 HydrophobicContact CD2-CG 4.21Å; W54-K87 HydrophobicContact CE3-CB 4.11Å; W54-K87 HydrophobicContact CG-CG 4.34Å; W54-K87 HydrophobicContact CH2-CB 4.34Å; W54-K87 HydrophobicContact CZ2-CB 4.21Å; W54-K87 HydrophobicContact CZ2-CD 4.22Å; W54-K87 HydrophobicContact CZ3-CB 4.29Å
55H98.7Very high97.6Very high59 Ų5974.3 Ų74.327%0.27338%0.376SS..EExtended strand (participates in β ladder)trans-125.1139.1174.4-56.9-83.9000108.1L85 Y86 S88H55-L85 WeakPolarHBondContact O-CA 3.45Å; H55-L85 WeakPolarHBondContact O-CD1 3.43Å; H55-Y86 HydrophobicContact CB-CD1 4.11Å; H55-Y86 HydrophobicContact CB-CD2 4.43Å; H55-Y86 HydrophobicContact CB-CE1 3.63Å; H55-Y86 HydrophobicContact CB-CE2 3.98Å; H55-Y86 HydrophobicContact CB-CG 4.49Å; H55-Y86 AromaticContact CD2-CE2 3.8Å; H55-Y86 AromaticContact CG-CZ 3.97Å; H55-Y86 PolarHBondContact N-O 2.81Å; H55-Y86 PolarHBondContact O-N 3.49Å; H55-S88 PolarHBondContact NE2-O 3.39Å
56C98.8Very high97.5Very high22 Ų2273.8 Ų73.815%0.14938%0.377CS..EExtended strand (participates in β ladder)trans-136134.7179.3-170.60000110.1A39 K43 L84 L85A39-C56 HydrophobicContact CB-CB 4.23Å; A39-C56 WeakPolarHBondContact O-CB 3.4Å; K43-C56 HydrophobicContact CB-CB 4.06Å; C56-L84 CarbonylContact C-O 3.54Å; C56-L84 VanDerWaalsContact CA-O 3.3Å; C56-L84 WeakPolarHBondContact CA-O 3.37Å; C56-L85 HydrophobicContact CB-CD1 3.96Å
57I98.6Very high97.4Very high65 Ų6578.7 Ų78.733%0.33341%0.411SS..EExtended strand (participates in β ladder)trans-124.1134174.8-54.7-178.9000107.4Y62 I83 L84I57-Y62 HydrophobicContact CG2-CD1 4.34Å; I57-Y62 HydrophobicContact CG2-CD2 4.31Å; I57-Y62 HydrophobicContact CG2-CE1 4.16Å; I57-Y62 HydrophobicContact CG2-CE2 4.15Å; I57-Y62 HydrophobicContact CG2-CG 4.41Å; I57-I83 WeakPolarHBondContact O-CA 3.3Å; I57-L84 HydrophobicContact CB-CB 4.32Å; I57-L84 HydrophobicContact CD1-CD2 4.23Å; I57-L84 PolarHBondContact N-O 2.8Å; I57-L84 PolarHBondContact O-N 2.91Å
58V98.6Very high97.4Very high16 Ų1681 Ų8110%0.09742%0.421CS..EExtended strand (participates in β ladder)trans-129.5134.9176.2179.30000107.9D35 I38 A39 R81 A82 I83D35-V58 HydrophobicContact CB-CB 4.21Å; D35-V58 HydrophobicContact CB-CG1 4.08Å; I38-V58 HydrophobicContact CB-CG2 4.44Å; I38-V58 HydrophobicContact CG2-CG1 4.34Å; I38-V58 HydrophobicContact CG2-CG2 4Å; A39-V58 HydrophobicContact CB-CB 4.34Å; A39-V58 HydrophobicContact CB-CG2 3.78Å; V58-R81 HydrophobicContact CG1-CB 4.25Å; V58-R81 HydrophobicContact CG1-CG 4.3Å; V58-A82 WeakPolarHBondContact CA-O 3.46Å; V58-I83 HydrophobicContact CG1-CG1 4.46Å; V58-I83 HydrophobicContact CG2-CG1 4.23Å; V58-I83 HydrophobicContact CG2-CG2 4.34Å
59G97.8Very high97.3Very high8 Ų875.2 Ų75.28%0.08240%0.401CS..EExtended strand (participates in β ladder)trans-178164.7176.200000113.6A82G59-A82 PolarHBondContact N-O 2.93Å; G59-A82 VanDerWaalsContact N-O 3.07Å; G59-A82 PolarHBondContact O-N 3.07Å
60K95.9Very high97.2Very high133 Ų13377.5 Ų77.558%0.57841%0.414SS*.SBendtrans-73.8-35.7173.7-70.3-173.4174.7-176.10112.6D80 R81K60-D80 VanDerWaalsContact CE-OD2 3.22Å; K60-D80 WeakPolarHBondContact CE-OD2 3.48Å; K60-D80 IonicContact NZ-OD2 3.5Å; K60-R81 VanDerWaalsContact CE-CZ 3.45Å
61Q93.5Very high97.2Very high192 Ų19282.1 Ų82.190%0.89743%0.431SS*.SBendtrans-152.8112.5-170.3-150.9171.54.600109.4
62Y96.7Very high97.2Very high60 Ų6081.2 Ų81.224%0.23542%0.419CS..  trans-156.1155.7172.859.8-92.2000109.6I57 Y75 A82 I83 L84I57-Y62 HydrophobicContact CG2-CD1 4.34Å; I57-Y62 HydrophobicContact CG2-CD2 4.31Å; I57-Y62 HydrophobicContact CG2-CE1 4.16Å; I57-Y62 HydrophobicContact CG2-CE2 4.15Å; I57-Y62 HydrophobicContact CG2-CG 4.41Å; Y62-Y75 HydrophobicContact CE2-CE2 4.35Å; Y62-Y75 WeakPolarHBondContact OH-CE2 3.42Å; Y62-A82 HydrophobicContact CE1-CB 3.71Å; Y62-A82 PolarHBondContact OH-O 3.11Å; Y62-I83 PolarHBondContact OH-N 2.93Å; Y62-L84 HydrophobicContact CE2-CB 4.2Å; Y62-L84 WeakPolarHBondContact OH-CB 3.42Å; Y62-L84 PolarHBondContact OH-N 2.88Å; Y62-L84 VanDerWaalsContact OH-N 3.16Å
63G96Very high97.2Very high79 Ų7973.5 Ų73.581%0.81439%0.391SS*.  trans-108.3150.9161.700000108.9
64S95.9Very high97.3Very high62 Ų6271.2 Ų71.243%0.43438%0.377SS..  trans-144.7134.8179.257.30000110.1L84S64-L84 WeakPolarHBondContact OG-CD2 3.48Å
65D96.8Very high97.3Very high162 Ų16273.9 Ų73.987%0.86639%0.387SS*.  trans-121.2112.4165.8-168.7-37.5000106.4
66V96.6Very high97.2Very high38 Ų3871 Ų7123%0.2337%0.374CS..  trans-138.6140.1-172.4-60.40000110.8F73 L84 Y86V66-F73 HydrophobicContact CG2-CE2 4.05Å; V66-L84 HydrophobicContact CG2-CD2 4.33Å; V66-Y86 HydrophobicContact CB-CE1 4.31Å; V66-Y86 HydrophobicContact CB-CE2 4.07Å; V66-Y86 HydrophobicContact CG1-CE1 4.04Å; V66-Y86 HydrophobicContact CG1-CE2 4.42Å; V66-Y86 HydrophobicContact CG2-CD1 4.25Å; V66-Y86 HydrophobicContact CG2-CD2 4.41Å; V66-Y86 HydrophobicContact CG2-CE1 4.23Å; V66-Y86 HydrophobicContact CG2-CE2 4.39Å; V66-Y86 HydrophobicContact CG2-CG 4.34Å
67S97.1Very high97.2Very high103 Ų10372.9 Ų72.972%0.7238%0.38SS*.  trans-93.3135.6166.3-61.40000109.8S88S67-S88 PolarHBondContact O-OG 2.8Å
68H97.4Very high97Very high71 Ų7170 Ų7033%0.32937%0.365SS..  trans-134.7156.3-176.956.8-85.8000111.2F73 Y86 K87H68-F73 HydrophobicContact CB-CB 4.36Å; H68-F73 HydrophobicContact CB-CD2 4.27Å; H68-F73 WeakPolarHBondContact CD2-CB 3.41Å; H68-F73 AromaticContact CD2-CG 3.89Å; H68-F73 AromaticContact CE1-CD2 3.61Å; H68-F73 AromaticContact CE1-CG 3.76Å; H68-F73 AromaticContact CG-CD2 3.69Å; H68-F73 AromaticContact ND1-CD2 3.42Å; H68-F73 WeakPolarHBondContact ND1-CD2 3.37Å; H68-F73 AromaticContact ND1-CG 3.96Å; H68-F73 WeakPolarHBondContact NE2-CB 3.48Å; H68-F73 AromaticContact NE2-CD2 3.96Å; H68-F73 AromaticContact NE2-CG 3.69Å; H68-Y86 HydrophobicContact CB-CD2 3.97Å; H68-Y86 HydrophobicContact CB-CG 4.37Å; H68-K87 CarbonylContact C-O 3.55Å; H68-K87 VanDerWaalsContact CA-O 3.29Å; H68-K87 WeakPolarHBondContact CA-O 3.4Å
69E97.5Very high96.8Very high61 Ų6171.5 Ų71.529%0.28538%0.383SS..  trans-65144.9168.9-66.6169.4-130.100110.5S72 K87 G89E69-S72 PolarHBondContact O-N 2.85Å; E69-K87 PolarHBondContact N-O 3.35Å; E69-K87 WeakPolarHBondContact OE1-CG 3.42Å; E69-K87 IonicContact OE1-NZ 3.78Å; E69-K87 WeakPolarHBondContact OE2-CD 3.44Å; E69-K87 WeakPolarHBondContact OE2-CE 3.25Å; E69-K87 IonicContact OE2-NZ 3.57Å; E69-K87 PolarHBondContact OE2-NZ 2.92Å; E69-G89 PolarHBondContact OE1-N 3.12Å
70E96.1Very high96.5Very high165 Ų16574.9 Ų74.977%0.77140%0.4SS*.THydrogen-bonded Turntrans-53.6145.9174.9-67.8-173.9174.700111.5S72E70-S72 PolarHBondContact O-N 3.44Å; E70-S72 VanDerWaalsContact O-N 3.11Å; E70-S72 PolarHBondContact O-OG 2.91Å
71R96.9Very high96.5Very high162 Ų16270.4 Ų70.461%0.61138%0.379SS*.THydrogen-bonded Turntrans59.320.1177.5-53.1-177.5-178.9-174.6-1.3114.7D12 M13D12-R71 CarbonylContact O-C 3.6Å; D12-R71 WeakPolarHBondContact O-CA 3.44Å; D12-R71 PolarHBondContact OD2-N 3.25Å; M13-R71 VanDerWaalsContact CB-O 3.3Å; M13-R71 WeakPolarHBondContact CB-O 3.42Å
72S98Very high96.7Very high16 Ų1661.3 Ų61.311%0.11234%0.337CS..  trans-133.438.8-174.8-53.50000113D12 E69 E70 Y86 K87D12-S72 PolarHBondContact O-N 3.08Å; E69-S72 PolarHBondContact O-N 2.85Å; E70-S72 PolarHBondContact O-N 3.44Å; E70-S72 VanDerWaalsContact O-N 3.11Å; E70-S72 PolarHBondContact O-OG 2.91Å; S72-Y86 CarbonylContact O-C 3.44Å; S72-Y86 WeakPolarHBondContact O-CA 3.32Å; S72-K87 VanDerWaalsContact CB-CB 3.47Å; S72-K87 PolarHBondContact O-N 3.42Å
73F98.5Very high96.8Very high21 Ų2158.5 Ų58.59%0.09233%0.326CS..EExtended strand (participates in β ladder)trans-138.7136.1-179.1174.4-79.3000113.8N10 A11 D12 M13 V66 H68 L84N10-F73 HydrophobicContact CB-CE1 4.16Å; A11-F73 CarbonylContact C-O 3.4Å; A11-F73 WeakPolarHBondContact CA-O 3.32Å; D12-F73 CarbonylContact C-O 3.59Å; D12-F73 HydrophobicContact CB-CB 4.42Å; D12-F73 PolarHBondContact N-O 2.85Å; D12-F73 PolarHBondContact O-N 3.08Å; M13-F73 VanDerWaalsContact CE-C 3.43Å; V66-F73 HydrophobicContact CG2-CE2 4.05Å; H68-F73 HydrophobicContact CB-CB 4.36Å; H68-F73 HydrophobicContact CB-CD2 4.27Å; H68-F73 WeakPolarHBondContact CD2-CB 3.41Å; H68-F73 AromaticContact CD2-CG 3.89Å; H68-F73 AromaticContact CE1-CD2 3.61Å; H68-F73 AromaticContact CE1-CG 3.76Å; H68-F73 AromaticContact CG-CD2 3.69Å; H68-F73 AromaticContact ND1-CD2 3.42Å; H68-F73 WeakPolarHBondContact ND1-CD2 3.37Å; H68-F73 AromaticContact ND1-CG 3.96Å; H68-F73 WeakPolarHBondContact NE2-CB 3.48Å; H68-F73 AromaticContact NE2-CD2 3.96Å; H68-F73 AromaticContact NE2-CG 3.69Å; F73-L84 HydrophobicContact CD2-CD1 4.13Å; F73-L84 HydrophobicContact CE2-CD1 3.36Å; F73-L84 HydrophobicContact CZ-CD1 3.59Å
74I98.7Very high97Very high0 Ų054.8 Ų54.80%029%0.288CS..EExtended strand (participates in β ladder)trans-147.4139.5170-167.7179.2000111.4V8 A11 M13 Q18 A21 F76 L85V8-I74 HydrophobicContact CG1-CG1 4.33Å; V8-I74 HydrophobicContact CG2-CD1 4.49Å; A11-I74 HydrophobicContact CB-CB 4.45Å; A11-I74 HydrophobicContact CB-CG1 3.97Å; M13-I74 HydrophobicContact CE-CB 3.75Å; M13-I74 HydrophobicContact CE-CG2 3.69Å; M13-I74 HydrophobicContact CG-CB 4.46Å; M13-I74 HydrophobicContact SD-CB 3.76Å; M13-I74 HydrophobicContact SD-CD1 4.3Å; M13-I74 HydrophobicContact SD-CG2 3.91Å; Q18-I74 HydrophobicContact CB-CD1 3.83Å; Q18-I74 HydrophobicContact CG-CD1 3.95Å; A21-I74 HydrophobicContact CB-CD1 4.3Å; A21-I74 HydrophobicContact CB-CG2 4.08Å; I74-F76 HydrophobicContact CD1-CD1 3.81Å; I74-F76 HydrophobicContact CD1-CE1 4.25Å; I74-F76 HydrophobicContact CG1-CD1 3.88Å; I74-F76 HydrophobicContact CG2-CD1 4.24Å; I74-F76 HydrophobicContact CG2-CE1 4.18Å; I74-L85 HydrophobicContact CG2-CB 3.86Å; I74-L85 HydrophobicContact CG2-CD2 4.24Å; I74-L85 HydrophobicContact CG2-CG 4.42Å; I74-L85 PolarHBondContact N-O 2.86Å; I74-L85 PolarHBondContact O-N 3.13Å
75Y98.5Very high97.1Very high56 Ų5651.9 Ų51.922%0.2227%0.267CS..EExtended strand (participates in β ladder)trans-128.8119.2171.6176.8-124.7000110.1K9 N10 Y62 F77 A82 I83 L84K9-Y75 HydrophobicContact CB-CD1 3.56Å; K9-Y75 HydrophobicContact CB-CE1 3.87Å; K9-Y75 HydrophobicContact CB-CG 4.48Å; K9-Y75 HydrophobicContact CG-CD1 4.24Å; K9-Y75 HydrophobicContact CG-CE1 4.1Å; K9-Y75 PolarHBondContact N-O 2.84Å; N10-Y75 PolarHBondContact N-O 3.46Å; N10-Y75 VanDerWaalsContact N-O 3.13Å; N10-Y75 PolarHBondContact O-N 3.43Å; Y62-Y75 HydrophobicContact CE2-CE2 4.35Å; Y62-Y75 WeakPolarHBondContact OH-CE2 3.42Å; Y75-F77 HydrophobicContact CE1-CE2 4.17Å; Y75-F77 AromaticContact CZ-CE2 3.78Å; Y75-F77 WeakPolarHBondContact OH-CE2 3.42Å; Y75-F77 WeakPolarHBondContact OH-CZ 3.39Å; Y75-A82 HydrophobicContact CE2-CB 3.79Å; Y75-I83 WeakPolarHBondContact CA-O 3.13Å; Y75-I83 WeakPolarHBondContact CD2-O 3.42Å; Y75-L84 HydrophobicContact CD2-CB 4.09Å
76F98.1Very high97.2Very high0 Ų045.6 Ų45.60%023%0.232CC..EExtended strand (participates in β ladder)trans-146.8158.7-177.166.4-81.9000112.4A6 V7 V8 A21 V22 A25 I74 L78 I83A6-F76 HydrophobicContact CB-CD2 4.27Å; V7-F76 CarbonylContact O-C 3.59Å; V7-F76 WeakPolarHBondContact O-CA 3.09Å; V8-F76 HydrophobicContact CB-CB 4.36Å; V8-F76 HydrophobicContact CG2-CB 4.11Å; A21-F76 HydrophobicContact CB-CE1 4.24Å; V22-F76 HydrophobicContact CB-CE2 4.48Å; V22-F76 HydrophobicContact CG2-CD2 4.03Å; V22-F76 HydrophobicContact CG2-CE2 3.93Å; V22-F76 HydrophobicContact CG2-CG 4.42Å; V22-F76 HydrophobicContact CG2-CZ 4.25Å; A25-F76 HydrophobicContact CB-CE2 3.96Å; A25-F76 HydrophobicContact CB-CZ 3.71Å; I74-F76 HydrophobicContact CD1-CD1 3.81Å; I74-F76 HydrophobicContact CD1-CE1 4.25Å; I74-F76 HydrophobicContact CG1-CD1 3.88Å; I74-F76 HydrophobicContact CG2-CD1 4.24Å; I74-F76 HydrophobicContact CG2-CE1 4.18Å; F76-L78 HydrophobicContact CE2-CB 4.41Å; F76-I83 HydrophobicContact CD1-CB 4.36Å; F76-I83 HydrophobicContact CE1-CB 4.01Å; F76-I83 HydrophobicContact CE1-CG2 3.86Å; F76-I83 HydrophobicContact CE2-CB 4.21Å; F76-I83 HydrophobicContact CE2-CD1 3.86Å; F76-I83 HydrophobicContact CE2-CG1 4.45Å; F76-I83 HydrophobicContact CZ-CB 3.93Å; F76-I83 HydrophobicContact CZ-CD1 3.98Å; F76-I83 HydrophobicContact CZ-CG2 3.87Å; F76-I83 PolarHBondContact N-O 2.81Å; F76-I83 PolarHBondContact O-N 2.86Å
77F97Very high97.3Very high61 Ų6145.6 Ų45.627%0.26823%0.228SC..EExtended strand (participates in β ladder)trans-100137.3169.8-77.1-100.5000110A6 V7 K9 Y75 R81 A82A6-F77 CarbonylContact C-O 3.57Å; A6-F77 VanDerWaalsContact CA-O 3.28Å; A6-F77 WeakPolarHBondContact CA-O 3.42Å; V7-F77 HydrophobicContact CB-CB 4.39Å; V7-F77 PolarHBondContact N-O 2.82Å; V7-F77 PolarHBondContact O-N 2.75Å; K9-F77 HydrophobicContact CD-CD2 4.49Å; K9-F77 HydrophobicContact CG-CD2 3.77Å; K9-F77 HydrophobicContact CG-CE2 3.96Å; Y75-F77 HydrophobicContact CE1-CE2 4.17Å; Y75-F77 AromaticContact CZ-CE2 3.78Å; Y75-F77 WeakPolarHBondContact OH-CE2 3.42Å; Y75-F77 WeakPolarHBondContact OH-CZ 3.39Å; F77-R81 WeakPolarHBondContact CA-O 3.19Å; F77-A82 HydrophobicContact CD1-CB 4.01Å; F77-A82 HydrophobicContact CE1-CB 3.56Å; F77-A82 HydrophobicContact CE2-CB 4.12Å; F77-A82 HydrophobicContact CG-CB 4.47Å; F77-A82 HydrophobicContact CZ-CB 3.62Å
78L95.6Very high97.3Very high4 Ų442.8 Ų42.82%0.02121%0.209CC..EExtended strand (participates in β ladder)trans-122.3111.6163.5-176.261.9000106F3 G4 A6 A25 A26 R29 F76 D80 R81 I83F3-L78 HydrophobicContact CB-CD1 3.99Å; F3-L78 HydrophobicContact CB-CD2 4.3Å; F3-L78 HydrophobicContact CB-CG 3.96Å; G4-L78 WeakPolarHBondContact O-CD1 3.37Å; A6-L78 HydrophobicContact CB-CD1 4.32Å; A25-L78 HydrophobicContact CB-CD2 4.33Å; A26-L78 HydrophobicContact CB-CD2 4.08Å; R29-L78 HydrophobicContact CG-CD2 4.15Å; R29-L78 PolarHBondContact NH1-O 3.06Å; F76-L78 HydrophobicContact CE2-CB 4.41Å; L78-D80 PolarHBondContact O-N 3.17Å; L78-R81 PolarHBondContact N-O 2.78Å; L78-R81 PolarHBondContact O-N 2.94Å; L78-R81 VanDerWaalsContact O-N 3.12Å; L78-I83 HydrophobicContact CB-CD1 4.3Å
79G93.2Very high97Very high47 Ų4745.1 Ų45.149%0.48525%0.252SS..THydrogen-bonded Turntrans53.8-124.6-170.500000112.8F3F3-G79 WeakPolarHBondContact O-CA 3.49Å; F3-G79 PolarHBondContact O-N 2.92Å; F3-G79 VanDerWaalsContact O-N 3.14Å
80D93.2Very high96.9Very high80 Ų8044.4 Ų44.443%0.42825%0.251SS..THydrogen-bonded Turntrans-90.28.8179.970.5-31.4000114.5R29 K60 L78R29-D80 IonicContact CZ-OD1 3.64Å; R29-D80 IonicContact NH1-OD1 2.77Å; R29-D80 IonicContact NH2-OD1 2.86Å; R29-D80 PolarHBondContact NH2-OD1 2.83Å; K60-D80 VanDerWaalsContact CE-OD2 3.22Å; K60-D80 WeakPolarHBondContact CE-OD2 3.48Å; K60-D80 IonicContact NZ-OD2 3.5Å; L78-D80 PolarHBondContact O-N 3.17Å
81R95.8Very high97Very high38 Ų3838 Ų3814%0.14322%0.223CC..EExtended strand (participates in β ladder)trans-114.2129.4177.8-71.1-63.7-177.1-66.4-6.9110.7D35 V58 K60 F77 L78D35-R81 IonicContact OD1-CZ 3.43Å; D35-R81 IonicContact OD1-NE 3.71Å; D35-R81 PolarHBondContact OD1-NE 3.02Å; D35-R81 IonicContact OD1-NH2 3.65Å; D35-R81 IonicContact OD2-NE 2.62Å; D35-R81 PolarHBondContact OD2-NE 3.4Å; V58-R81 HydrophobicContact CG1-CB 4.25Å; V58-R81 HydrophobicContact CG1-CG 4.3Å; K60-R81 VanDerWaalsContact CE-CZ 3.45Å; F77-R81 WeakPolarHBondContact CA-O 3.19Å; L78-R81 PolarHBondContact N-O 2.78Å; L78-R81 PolarHBondContact O-N 2.94Å; L78-R81 VanDerWaalsContact O-N 3.12Å
82A97.7Very high97Very high2 Ų231.1 Ų31.12%0.01720%0.202CC..EExtended strand (participates in β ladder)trans-84.5137.9164.600000108.8V58 G59 Y62 Y75 F77V58-A82 WeakPolarHBondContact CA-O 3.46Å; G59-A82 PolarHBondContact N-O 2.93Å; G59-A82 VanDerWaalsContact N-O 3.07Å; G59-A82 PolarHBondContact O-N 3.07Å; Y62-A82 HydrophobicContact CE1-CB 3.71Å; Y62-A82 PolarHBondContact OH-O 3.11Å; Y75-A82 HydrophobicContact CE2-CB 3.79Å; F77-A82 HydrophobicContact CD1-CB 4.01Å; F77-A82 HydrophobicContact CE1-CB 3.56Å; F77-A82 HydrophobicContact CE2-CB 4.12Å; F77-A82 HydrophobicContact CG-CB 4.47Å; F77-A82 HydrophobicContact CZ-CB 3.62Å
83I98.6Very high96.9Very high1 Ų132 Ų321%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-127.3118.9-179.2-55.8-178.8000107.3A25 I42 I57 V58 Y62 Y75 F76 L78A25-I83 HydrophobicContact CB-CD1 3.56Å; I42-I83 HydrophobicContact CD1-CD1 4.37Å; I42-I83 HydrophobicContact CD1-CG2 4.15Å; I57-I83 WeakPolarHBondContact O-CA 3.3Å; V58-I83 HydrophobicContact CG1-CG1 4.46Å; V58-I83 HydrophobicContact CG2-CG1 4.23Å; V58-I83 HydrophobicContact CG2-CG2 4.34Å; Y62-I83 PolarHBondContact OH-N 2.93Å; Y75-I83 WeakPolarHBondContact CA-O 3.13Å; Y75-I83 WeakPolarHBondContact CD2-O 3.42Å; F76-I83 HydrophobicContact CD1-CB 4.36Å; F76-I83 HydrophobicContact CE1-CB 4.01Å; F76-I83 HydrophobicContact CE1-CG2 3.86Å; F76-I83 HydrophobicContact CE2-CB 4.21Å; F76-I83 HydrophobicContact CE2-CD1 3.86Å; F76-I83 HydrophobicContact CE2-CG1 4.45Å; F76-I83 HydrophobicContact CZ-CB 3.93Å; F76-I83 HydrophobicContact CZ-CD1 3.98Å; F76-I83 HydrophobicContact CZ-CG2 3.87Å; F76-I83 PolarHBondContact N-O 2.81Å; F76-I83 PolarHBondContact O-N 2.86Å; L78-I83 HydrophobicContact CB-CD1 4.3Å
84L98.7Very high96.8Very high1 Ų132.7 Ų32.71%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-110.4122.8172.4170.763.5000108C56 I57 Y62 S64 V66 F73 Y75 Y86C56-L84 CarbonylContact C-O 3.54Å; C56-L84 VanDerWaalsContact CA-O 3.3Å; C56-L84 WeakPolarHBondContact CA-O 3.37Å; I57-L84 HydrophobicContact CB-CB 4.32Å; I57-L84 HydrophobicContact CD1-CD2 4.23Å; I57-L84 PolarHBondContact N-O 2.8Å; I57-L84 PolarHBondContact O-N 2.91Å; Y62-L84 HydrophobicContact CE2-CB 4.2Å; Y62-L84 WeakPolarHBondContact OH-CB 3.42Å; Y62-L84 PolarHBondContact OH-N 2.88Å; Y62-L84 VanDerWaalsContact OH-N 3.16Å; S64-L84 WeakPolarHBondContact OG-CD2 3.48Å; V66-L84 HydrophobicContact CG2-CD2 4.33Å; F73-L84 HydrophobicContact CD2-CD1 4.13Å; F73-L84 HydrophobicContact CE2-CD1 3.36Å; F73-L84 HydrophobicContact CZ-CD1 3.59Å; Y75-L84 HydrophobicContact CD2-CB 4.09Å; L84-Y86 HydrophobicContact CD1-CD1 4.28Å; L84-Y86 HydrophobicContact CD2-CD1 4.29Å; L84-Y86 HydrophobicContact CD2-CE1 4.27Å; L84-Y86 HydrophobicContact CG-CD1 3.96Å; L84-Y86 HydrophobicContact CG-CE1 4.36Å
85L98.9Very high96.7Very high0 Ų034.9 Ų34.90%023%0.228CC..EExtended strand (participates in β ladder)trans-131.1121.8179.8175.467.6000108.4A21 I42 F46 W54 H55 C56 I74A21-L85 HydrophobicContact CB-CD2 4.01Å; I42-L85 HydrophobicContact CG2-CD1 4.02Å; I42-L85 HydrophobicContact CG2-CD2 3.86Å; I42-L85 HydrophobicContact CG2-CG 4.48Å; F46-L85 HydrophobicContact CD1-CD2 3.74Å; F46-L85 HydrophobicContact CD1-CG 4.45Å; F46-L85 HydrophobicContact CD2-CD2 3.78Å; F46-L85 HydrophobicContact CE1-CD2 3.65Å; F46-L85 HydrophobicContact CE2-CD2 3.72Å; F46-L85 HydrophobicContact CG-CD1 4.41Å; F46-L85 HydrophobicContact CG-CD2 3.83Å; F46-L85 HydrophobicContact CZ-CD2 3.67Å; W54-L85 HydrophobicContact CB-CD1 4.48Å; W54-L85 HydrophobicContact CE3-CD1 3.76Å; W54-L85 HydrophobicContact CE3-CD2 4.45Å; W54-L85 HydrophobicContact CE3-CG 3.77Å; W54-L85 HydrophobicContact CZ3-CD1 4.47Å; W54-L85 HydrophobicContact CZ3-CD2 4.45Å; W54-L85 HydrophobicContact CZ3-CG 3.98Å; H55-L85 WeakPolarHBondContact O-CA 3.45Å; H55-L85 WeakPolarHBondContact O-CD1 3.43Å; C56-L85 HydrophobicContact CB-CD1 3.96Å; I74-L85 HydrophobicContact CG2-CB 3.86Å; I74-L85 HydrophobicContact CG2-CD2 4.24Å; I74-L85 HydrophobicContact CG2-CG 4.42Å; I74-L85 PolarHBondContact N-O 2.86Å; I74-L85 PolarHBondContact O-N 3.13Å
86Y98.7Very high96.6Very high31 Ų3133.4 Ų33.412%0.12223%0.229CC..EExtended strand (participates in β ladder)trans-149.4156.4-178.368.9-80.2000112.1W54 H55 V66 H68 S72 L84W54-Y86 CarbonylContact C-O 2.88Å; W54-Y86 WeakPolarHBondContact CA-O 3.3Å; H55-Y86 HydrophobicContact CB-CD1 4.11Å; H55-Y86 HydrophobicContact CB-CD2 4.43Å; H55-Y86 HydrophobicContact CB-CE1 3.63Å; H55-Y86 HydrophobicContact CB-CE2 3.98Å; H55-Y86 HydrophobicContact CB-CG 4.49Å; H55-Y86 AromaticContact CD2-CE2 3.8Å; H55-Y86 AromaticContact CG-CZ 3.97Å; H55-Y86 PolarHBondContact N-O 2.81Å; H55-Y86 PolarHBondContact O-N 3.49Å; V66-Y86 HydrophobicContact CB-CE1 4.31Å; V66-Y86 HydrophobicContact CB-CE2 4.07Å; V66-Y86 HydrophobicContact CG1-CE1 4.04Å; V66-Y86 HydrophobicContact CG1-CE2 4.42Å; V66-Y86 HydrophobicContact CG2-CD1 4.25Å; V66-Y86 HydrophobicContact CG2-CD2 4.41Å; V66-Y86 HydrophobicContact CG2-CE1 4.23Å; V66-Y86 HydrophobicContact CG2-CE2 4.39Å; V66-Y86 HydrophobicContact CG2-CG 4.34Å; H68-Y86 HydrophobicContact CB-CD2 3.97Å; H68-Y86 HydrophobicContact CB-CG 4.37Å; S72-Y86 CarbonylContact O-C 3.44Å; S72-Y86 WeakPolarHBondContact O-CA 3.32Å; L84-Y86 HydrophobicContact CD1-CD1 4.28Å; L84-Y86 HydrophobicContact CD2-CD1 4.29Å; L84-Y86 HydrophobicContact CD2-CE1 4.27Å; L84-Y86 HydrophobicContact CG-CD1 3.96Å; L84-Y86 HydrophobicContact CG-CE1 4.36Å
87K98.6Very high96.4Very high37 Ų3735.9 Ų35.916%0.16125%0.247CC..EExtended strand (participates in β ladder)trans-103.8136.5175.2-157.8-173.9168.5-138.80110.8R52 T53 W54 H68 E69 S72R52-K87 WeakPolarHBondContact O-CE 3.43Å; T53-K87 WeakPolarHBondContact O-CG 3.29Å; W54-K87 HydrophobicContact CD2-CB 4Å; W54-K87 HydrophobicContact CD2-CG 4.21Å; W54-K87 HydrophobicContact CE3-CB 4.11Å; W54-K87 HydrophobicContact CG-CG 4.34Å; W54-K87 HydrophobicContact CH2-CB 4.34Å; W54-K87 HydrophobicContact CZ2-CB 4.21Å; W54-K87 HydrophobicContact CZ2-CD 4.22Å; W54-K87 HydrophobicContact CZ3-CB 4.29Å; H68-K87 CarbonylContact C-O 3.55Å; H68-K87 VanDerWaalsContact CA-O 3.29Å; H68-K87 WeakPolarHBondContact CA-O 3.4Å; E69-K87 PolarHBondContact N-O 3.35Å; E69-K87 WeakPolarHBondContact OE1-CG 3.42Å; E69-K87 IonicContact OE1-NZ 3.78Å; E69-K87 WeakPolarHBondContact OE2-CD 3.44Å; E69-K87 WeakPolarHBondContact OE2-CE 3.25Å; E69-K87 IonicContact OE2-NZ 3.57Å; E69-K87 PolarHBondContact OE2-NZ 2.92Å; S72-K87 VanDerWaalsContact CB-CB 3.47Å; S72-K87 PolarHBondContact O-N 3.42Å
88S97Very high96.4Very high45 Ų4533.8 Ų33.832%0.31525%0.245SC..  trans-161.1119.2177.6-174.30000109.4T53 H55 S67T53-S88 PolarHBondContact O-N 2.91Å; H55-S88 PolarHBondContact NE2-O 3.39Å; S67-S88 PolarHBondContact O-OG 2.8Å
89G91Very high96.5Very high120 Ų12036.5 Ų36.5100%1.23727%0.265SS*.  trans164.70175.500000113.8E69E69-G89 PolarHBondContact OE1-N 3.12Å

Retrieved 89 of 89 residues in 30.7 ms (Link to these results)

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