A0A5K4F5C6_SCHMA Loading...

Dynein light chain AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F5C6, 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
1M45.8Very low82.7Confident237 Ų237113.5 Ų113.5100%1.16757%0.567SS**  0132.80-81.4174.6-84.900107.5E3M1-E3 PolarHBondContact O-N 2.84Å
2K52.7Low84Confident200 Ų200108.6 Ų108.687%0.8754%0.544SS*.  trans-69.2117.6162.3-80.1-177.7175.7178.80105.4I4K2-I4 PolarHBondContact O-N 3.18Å
3E65.9Low85.1Confident174 Ų174101.2 Ų101.281%0.81351%0.507SS*.  trans-63.5104.1166.5-78.9-179.2159.200107M1 I5M1-E3 PolarHBondContact O-N 2.84Å; E3-I5 PolarHBondContact O-N 3.45Å
4I75.7Confident86Confident83 Ų83100.8 Ų100.843%0.42651%0.507SS..  trans-81.198.1173.3-51.8-178.6000106.2K2 A6 L78 G79K2-I4 PolarHBondContact O-N 3.18Å; I4-A6 PolarHBondContact O-N 3.38Å; I4-L78 HydrophobicContact CB-CD1 4.23Å; I4-L78 HydrophobicContact CG2-CD1 3.46Å; I4-L78 VanDerWaalsContact CG2-CD1 3.46Å; I4-L78 HydrophobicContact CG2-CG 3.76Å; I4-G79 VanDerWaalsContact CG2-N 3.28Å
5I88.7Confident86.8Confident133 Ų133107.5 Ų107.568%0.68252%0.524SS*.  trans-78.8121.7178.4-59.5173.8000108.3E3E3-I5 PolarHBondContact O-N 3.45Å
6A95.7Very high87.5Confident29 Ų29105.1 Ų105.124%0.2452%0.522CS..  trans-71.4131.3170.500000110.5I4 V22 F76 F77 L78I4-A6 PolarHBondContact O-N 3.38Å; A6-V22 HydrophobicContact CB-CB 4.16Å; A6-V22 HydrophobicContact CB-CG1 3.5Å; A6-V22 VanDerWaalsContact CB-CG1 3.5Å; A6-V22 HydrophobicContact CB-CG2 3.49Å; A6-V22 VanDerWaalsContact CB-CG2 3.49Å; A6-F76 HydrophobicContact CB-CD2 4.38Å; A6-F77 WeakPolarHBondContact CA-O 3.3Å; A6-L78 HydrophobicContact CB-CD1 4.01Å
7M96.4Very high88.2Confident101 Ų10199.8 Ų99.850%0.49850%0.495SS..EExtended strand (participates in β ladder)trans-109.499.7173.5-173.4-177.6-60.100109.3K9 F76 F77M7-K9 HydrophobicContact CG-CD 4.34Å; M7-K9 PolarHBondContact O-N 3.4Å; M7-K9 HydrophobicContact SD-CD 4.37Å; M7-K9 WeakPolarHBondContact SD-CE 3.37Å; M7-K9 PolarHBondContact SD-NZ 2.88Å; M7-F76 CarbonylContact O-C 3.59Å; M7-F76 VanDerWaalsContact O-CA 3.29Å; M7-F76 WeakPolarHBondContact O-CA 3.47Å; M7-F76 WeakPolarHBondContact O-CB 3.12Å; M7-F77 HydrophobicContact CB-CB 4.27Å; M7-F77 PolarHBondContact N-O 2.93Å; M7-F77 PolarHBondContact O-N 3.36Å; M7-F77 HydrophobicContact SD-CD2 4.16Å
8I97.6Very high88.8Confident62 Ų6296.6 Ų96.632%0.31848%0.479SS..EExtended strand (participates in β ladder)trans-67.8125.3175-48.8-51.1000108.9A11 V22 I74 F76I8-A11 HydrophobicContact CG2-CB 3.94Å; I8-V22 HydrophobicContact CD1-CG2 3.95Å; I8-I74 HydrophobicContact CD1-CD1 4.06Å; I8-I74 HydrophobicContact CG2-CG1 4.49Å; I8-F76 HydrophobicContact CD1-CB 3.58Å; I8-F76 HydrophobicContact CD1-CG 4.09Å
9K96.1Very high89.3Confident103 Ų10398.4 Ų98.445%0.44849%0.485SS..EExtended strand (participates in β ladder)trans-100.7-40.7178.9-71-52.2-166.4-178.80112.2M7 Y75 F77M7-K9 HydrophobicContact CG-CD 4.34Å; M7-K9 PolarHBondContact O-N 3.4Å; M7-K9 HydrophobicContact SD-CD 4.37Å; M7-K9 WeakPolarHBondContact SD-CE 3.37Å; M7-K9 PolarHBondContact SD-NZ 2.88Å; K9-Y75 HydrophobicContact CB-CD1 3.39Å; K9-Y75 HydrophobicContact CB-CE1 3.7Å; K9-Y75 HydrophobicContact CB-CG 4.23Å; K9-Y75 HydrophobicContact CG-CD1 4.13Å; K9-Y75 HydrophobicContact CG-CE1 3.96Å; K9-Y75 PolarHBondContact N-O 3.16Å; K9-F77 HydrophobicContact CD-CD2 4.36Å; K9-F77 HydrophobicContact CD-CE2 4.09Å; K9-F77 HydrophobicContact CG-CD2 4.15Å; K9-F77 HydrophobicContact CG-CE2 3.96Å; K9-F77 HydrophobicContact CG-CZ 4.16Å
10D97.2Very high89.7Confident94 Ų9495 Ų9550%0.50347%0.469SS..EExtended strand (participates in β ladder)trans-153.7146.6174.5-167.59.2000109.4F73 Y75D10-F73 HydrophobicContact CB-CE1 3.99Å; D10-Y75 PolarHBondContact N-O 3.01Å; D10-Y75 VanDerWaalsContact N-O 3.14Å; D10-Y75 PolarHBondContact O-N 3.02Å
11A98Very high90.1Very high33 Ų3390.5 Ų90.527%0.27345%0.447SS..EExtended strand (participates in β ladder)trans-157.5126.7-178.600000111.3I8 Q18 F73 I74I8-A11 HydrophobicContact CG2-CB 3.94Å; A11-Q18 HydrophobicContact CB-CG 4.31Å; A11-F73 WeakPolarHBondContact CA-O 3.48Å; A11-I74 HydrophobicContact CB-CG1 4.03Å
12D98.1Very high92.6Very high54 Ų5480.8 Ų80.829%0.28940%0.401SS..EExtended strand (participates in β ladder)trans-116.978.3163.5174.228.2000107.4H68 N71 K72 F73D12-H68 IonicContact OD2-CD2 3.67Å; D12-H68 IonicContact OD2-NE2 3.38Å; D12-H68 PolarHBondContact OD2-NE2 2.87Å; D12-N71 VanDerWaalsContact CG-N 3.3Å; D12-N71 CarbonylContact O-C 3.24Å; D12-N71 WeakPolarHBondContact O-CA 3.28Å; D12-N71 WeakPolarHBondContact OD1-CA 3.24Å; D12-N71 PolarHBondContact OD1-N 3.5Å; D12-N71 PolarHBondContact OD2-N 3.26Å; D12-K72 PolarHBondContact O-N 2.76Å; D12-F73 CarbonylContact C-O 3.59Å; D12-F73 HydrophobicContact CB-CB 4.24Å; D12-F73 PolarHBondContact N-O 3.08Å; D12-F73 PolarHBondContact O-N 3.25Å
13M98.2Very high94.8Very high13 Ų1378.2 Ų78.26%0.06439%0.387CS..SBendtrans-170.4161.517353.8171.465.800109.6M17 Q18 W54 I74M13-M17 HydrophobicContact CB-CB 4.3Å; M13-M17 HydrophobicContact CB-CG 4.36Å; M13-M17 HydrophobicContact CB-SD 3.82Å; M13-M17 HydrophobicContact CE-CG 4.12Å; M13-M17 HydrophobicContact CE-SD 3.84Å; M13-M17 HydrophobicContact CG-CB 4.49Å; M13-M17 HydrophobicContact CG-SD 4.49Å; M13-M17 HydrophobicContact SD-CB 3.92Å; M13-M17 HydrophobicContact SD-CG 3.57Å; M13-M17 VanDerWaalsContact SD-CG 3.57Å; M13-M17 HydrophobicContact SD-SD 3.93Å; M13-Q18 HydrophobicContact CG-CG 3.64Å; M13-Q18 PolarHBondContact O-NE2 2.8Å; M13-Q18 HydrophobicContact SD-CG 3.93Å; M13-W54 HydrophobicContact CE-CH2 4.08Å; M13-W54 HydrophobicContact CE-CZ3 4.15Å; M13-I74 HydrophobicContact CE-CB 3.69Å; M13-I74 HydrophobicContact CE-CG2 3.62Å; M13-I74 HydrophobicContact CG-CB 4.4Å; M13-I74 HydrophobicContact SD-CB 3.8Å; M13-I74 HydrophobicContact SD-CD1 4.09Å; M13-I74 HydrophobicContact SD-CG1 4.44Å; M13-I74 HydrophobicContact SD-CG2 3.99Å
14N98.2Very high96.3Very high95 Ų9570.5 Ų70.551%0.50835%0.351SS..  trans-70.2160.1178.669.753.4000112.6S16 M17 Q18N14-S16 VanDerWaalsContact C-N 3.33Å; N14-S16 PolarHBondContact O-N 2.76Å; N14-S16 PolarHBondContact OD1-N 2.69Å; N14-M17 PolarHBondContact O-N 2.81Å; N14-M17 VanDerWaalsContact O-N 3.13Å; N14-M17 PolarHBondContact OD1-N 3.01Å; N14-Q18 WeakPolarHBondContact O-CG 3.34Å; N14-Q18 PolarHBondContact O-N 2.82Å; N14-Q18 VanDerWaalsContact O-N 3.1Å
15R98Very high97.4Very high201 Ų20166.6 Ų66.676%0.75833%0.331SS*.Hα-helixtrans-57.4-40.4-176.6-70.7-170.9179.6-161.30.2114M17 Q18 E19R15-M17 VanDerWaalsContact C-N 3.3Å; R15-M17 PolarHBondContact O-N 2.99Å; R15-Q18 WeakPolarHBondContact O-CB 3.11Å; R15-Q18 PolarHBondContact O-N 2.99Å; R15-Q18 VanDerWaalsContact O-N 3.11Å; R15-E19 WeakPolarHBondContact O-CG 3.3Å; R15-E19 PolarHBondContact O-N 2.88Å
16S98.3Very high97.8Very high70 Ų7061.8 Ų61.849%0.4931%0.311SS..Hα-helixtrans-61.8-39.5178.7171.10000111.8N14 E19 D20N14-S16 VanDerWaalsContact C-N 3.33Å; N14-S16 PolarHBondContact O-N 2.76Å; N14-S16 PolarHBondContact OD1-N 2.69Å; S16-E19 PolarHBondContact O-N 3.06Å; S16-D20 WeakPolarHBondContact O-CB 3.49Å; S16-D20 PolarHBondContact O-N 3.37Å
17M98.6Very high97.8Very high14 Ų1462.2 Ų62.27%0.06931%0.31CS..Hα-helixtrans-70.3-32.6175.2-169.3179.3-76.900112.3M13 N14 R15 D20 A21 F46 Y50 W54M13-M17 HydrophobicContact CB-CB 4.3Å; M13-M17 HydrophobicContact CB-CG 4.36Å; M13-M17 HydrophobicContact CB-SD 3.82Å; M13-M17 HydrophobicContact CE-CG 4.12Å; M13-M17 HydrophobicContact CE-SD 3.84Å; M13-M17 HydrophobicContact CG-CB 4.49Å; M13-M17 HydrophobicContact CG-SD 4.49Å; M13-M17 HydrophobicContact SD-CB 3.92Å; M13-M17 HydrophobicContact SD-CG 3.57Å; M13-M17 VanDerWaalsContact SD-CG 3.57Å; M13-M17 HydrophobicContact SD-SD 3.93Å; N14-M17 PolarHBondContact O-N 2.81Å; N14-M17 VanDerWaalsContact O-N 3.13Å; N14-M17 PolarHBondContact OD1-N 3.01Å; R15-M17 VanDerWaalsContact C-N 3.3Å; R15-M17 PolarHBondContact O-N 2.99Å; M17-D20 PolarHBondContact O-N 2.88Å; M17-A21 WeakPolarHBondContact O-CB 3.49Å; M17-A21 PolarHBondContact O-N 2.9Å; M17-F46 HydrophobicContact CG-CE1 4.1Å; M17-Y50 HydrophobicContact CE-CD1 3.54Å; M17-Y50 HydrophobicContact CE-CE1 3.58Å; M17-Y50 HydrophobicContact CE-CG 3.99Å; M17-Y50 HydrophobicContact CG-CE1 4.28Å; M17-Y50 HydrophobicContact CG-CE2 4.03Å; M17-W54 HydrophobicContact SD-CH2 3.95Å; M17-W54 HydrophobicContact SD-CZ2 4.3Å
18Q98.6Very high97.9Very high43 Ų4357.4 Ų57.420%0.20129%0.286CS..Hα-helixtrans-66.1-44.2173.1-60.4175.927.400111.4A11 M13 N14 R15 D20 A21 V22 I74A11-Q18 HydrophobicContact CB-CG 4.31Å; M13-Q18 HydrophobicContact CG-CG 3.64Å; M13-Q18 PolarHBondContact O-NE2 2.8Å; M13-Q18 HydrophobicContact SD-CG 3.93Å; N14-Q18 WeakPolarHBondContact O-CG 3.34Å; N14-Q18 PolarHBondContact O-N 2.82Å; N14-Q18 VanDerWaalsContact O-N 3.1Å; R15-Q18 WeakPolarHBondContact O-CB 3.11Å; R15-Q18 PolarHBondContact O-N 2.99Å; R15-Q18 VanDerWaalsContact O-N 3.11Å; Q18-D20 VanDerWaalsContact C-N 3.32Å; Q18-D20 PolarHBondContact O-N 2.86Å; Q18-A21 WeakPolarHBondContact O-CB 3.09Å; Q18-A21 PolarHBondContact O-N 2.74Å; Q18-V22 WeakPolarHBondContact O-CG2 3.45Å; Q18-V22 PolarHBondContact O-N 3.14Å; Q18-I74 HydrophobicContact CB-CD1 3.89Å; Q18-I74 HydrophobicContact CG-CD1 3.85Å
19E98.1Very high97.8Very high130 Ų13056.2 Ų56.261%0.60728%0.28SS*.Hα-helixtrans-60.5-43.1175.3-72.2166.2-173.300111.1R15 S16 A21 V22 Y23R15-E19 WeakPolarHBondContact O-CG 3.3Å; R15-E19 PolarHBondContact O-N 2.88Å; S16-E19 PolarHBondContact O-N 3.06Å; E19-A21 PolarHBondContact O-N 3.36Å; E19-V22 PolarHBondContact O-N 2.83Å; E19-Y23 VanDerWaalsContact O-CB 3.3Å; E19-Y23 WeakPolarHBondContact O-CB 3.06Å; E19-Y23 PolarHBondContact O-N 3.3Å
20D98.3Very high97.7Very high31 Ų3157.6 Ų57.617%0.16629%0.292CS..Hα-helixtrans-62.9-39.9174.3-78.1-40.9000112.4S16 M17 Q18 Y23 I24 K49 Y50S16-D20 WeakPolarHBondContact O-CB 3.49Å; S16-D20 PolarHBondContact O-N 3.37Å; M17-D20 PolarHBondContact O-N 2.88Å; Q18-D20 VanDerWaalsContact C-N 3.32Å; Q18-D20 PolarHBondContact O-N 2.86Å; D20-Y23 PolarHBondContact O-N 2.72Å; D20-I24 VanDerWaalsContact O-CB 3.3Å; D20-I24 WeakPolarHBondContact O-CB 3.48Å; D20-I24 WeakPolarHBondContact O-CD1 3.17Å; D20-I24 VanDerWaalsContact O-CG1 3.27Å; D20-I24 WeakPolarHBondContact O-CG1 3.48Å; D20-I24 PolarHBondContact O-N 2.69Å; D20-K49 IonicContact OD1-NZ 2.68Å; D20-K49 PolarHBondContact OD1-NZ 3.03Å; D20-K49 WeakPolarHBondContact OD2-CE 3.42Å; D20-K49 IonicContact OD2-NZ 2.72Å; D20-K49 PolarHBondContact OD2-NZ 3.44Å; D20-Y50 HydrophobicContact CB-CE2 4.37Å; D20-Y50 WeakPolarHBondContact CB-OH 3.2Å; D20-Y50 VanDerWaalsContact CG-OH 3.28Å; D20-Y50 PolarHBondContact OD2-OH 3.35Å
21A98.7Very high97.7Very high0 Ų058.8 Ų58.80%029%0.294CS..Hα-helixtrans-60.5-46.6174.800000112.2M17 Q18 E19 A25 F46 I74 F76 L85M17-A21 WeakPolarHBondContact O-CB 3.49Å; M17-A21 PolarHBondContact O-N 2.9Å; Q18-A21 WeakPolarHBondContact O-CB 3.09Å; Q18-A21 PolarHBondContact O-N 2.74Å; E19-A21 PolarHBondContact O-N 3.36Å; A21-A25 VanDerWaalsContact O-CB 3.24Å; A21-A25 WeakPolarHBondContact O-CB 3.48Å; A21-A25 PolarHBondContact O-N 3.1Å; A21-F46 HydrophobicContact CB-CE2 4.1Å; A21-F46 HydrophobicContact CB-CZ 3.63Å; A21-I74 HydrophobicContact CB-CD1 4.04Å; A21-I74 HydrophobicContact CB-CG2 4.13Å; A21-F76 HydrophobicContact CB-CE1 4.19Å; A21-L85 HydrophobicContact CB-CD2 4.23Å
22V98.2Very high97.6Very high34 Ų3459.6 Ų59.621%0.20629%0.292CS..Hα-helixtrans-66.3-45.3178.6169.80000111.2A6 I8 Q18 E19 A25 A26 F76A6-V22 HydrophobicContact CB-CB 4.16Å; A6-V22 HydrophobicContact CB-CG1 3.5Å; A6-V22 VanDerWaalsContact CB-CG1 3.5Å; A6-V22 HydrophobicContact CB-CG2 3.49Å; A6-V22 VanDerWaalsContact CB-CG2 3.49Å; I8-V22 HydrophobicContact CD1-CG2 3.95Å; Q18-V22 WeakPolarHBondContact O-CG2 3.45Å; Q18-V22 PolarHBondContact O-N 3.14Å; E19-V22 PolarHBondContact O-N 2.83Å; V22-A25 PolarHBondContact O-N 2.85Å; V22-A26 WeakPolarHBondContact O-CB 3.43Å; V22-A26 PolarHBondContact O-N 2.8Å; V22-F76 HydrophobicContact CG2-CD2 4.17Å; V22-F76 HydrophobicContact CG2-CE2 4.06Å; V22-F76 HydrophobicContact CG2-CZ 4.46Å
23Y97.8Very high97.4Very high145 Ų14564.7 Ų64.757%0.56932%0.32SS*.Hα-helixtrans-62.6-47.4-180177.6-101.7000112E19 D20 A25 A26 N27E19-Y23 VanDerWaalsContact O-CB 3.3Å; E19-Y23 WeakPolarHBondContact O-CB 3.06Å; E19-Y23 PolarHBondContact O-N 3.3Å; D20-Y23 PolarHBondContact O-N 2.72Å; Y23-A25 VanDerWaalsContact C-N 3.32Å; Y23-A25 PolarHBondContact O-N 3.44Å; Y23-A26 PolarHBondContact O-N 3.16Å; Y23-N27 WeakPolarHBondContact CE1-ND2 3.34Å; Y23-N27 VanDerWaalsContact CZ-ND2 3.3Å; Y23-N27 PolarHBondContact O-N 2.88Å; Y23-N27 PolarHBondContact OH-ND2 2.87Å
24I98.4Very high97.4Very high13 Ų1367 Ų677%0.06734%0.335CS..Hα-helixtrans-62.9-40.9177.5-72.5166.4000110.8D20 N27 A28 Y41 I42 Q45 F46D20-I24 VanDerWaalsContact O-CB 3.3Å; D20-I24 WeakPolarHBondContact O-CB 3.48Å; D20-I24 WeakPolarHBondContact O-CD1 3.17Å; D20-I24 VanDerWaalsContact O-CG1 3.27Å; D20-I24 WeakPolarHBondContact O-CG1 3.48Å; D20-I24 PolarHBondContact O-N 2.69Å; I24-N27 PolarHBondContact O-N 2.98Å; I24-A28 WeakPolarHBondContact O-CB 3.42Å; I24-A28 PolarHBondContact O-N 2.91Å; I24-Y41 HydrophobicContact CG2-CD1 4.19Å; I24-Y41 HydrophobicContact CG2-CE1 4.1Å; I24-I42 HydrophobicContact CG2-CB 4.34Å; I24-I42 HydrophobicContact CG2-CG1 4.18Å; I24-I42 HydrophobicContact CG2-CG2 4.36Å; I24-Q45 HydrophobicContact CD1-CB 3.95Å; I24-Q45 HydrophobicContact CG1-CB 4.3Å; I24-Q45 HydrophobicContact CG2-CB 3.7Å; I24-Q45 HydrophobicContact CG2-CG 4.04Å; I24-F46 HydrophobicContact CB-CE2 4.37Å; I24-F46 HydrophobicContact CD1-CD2 3.77Å; I24-F46 HydrophobicContact CD1-CE2 3.55Å; I24-F46 HydrophobicContact CG2-CD2 4.47Å
25A98.2Very high97.3Very high0 Ų066.7 Ų66.70%033%0.33CS..Hα-helixtrans-65.9-38.6176.600000113A21 V22 Y23 A28 M29 I42 F76 L78 I83A21-A25 VanDerWaalsContact O-CB 3.24Å; A21-A25 WeakPolarHBondContact O-CB 3.48Å; A21-A25 PolarHBondContact O-N 3.1Å; V22-A25 PolarHBondContact O-N 2.85Å; Y23-A25 VanDerWaalsContact C-N 3.32Å; Y23-A25 PolarHBondContact O-N 3.44Å; A25-A28 PolarHBondContact O-N 3.42Å; A25-M29 WeakPolarHBondContact O-CG 3.28Å; A25-M29 PolarHBondContact O-N 3.48Å; A25-I42 HydrophobicContact CB-CD1 3.79Å; A25-I42 HydrophobicContact CB-CG1 4.32Å; A25-F76 HydrophobicContact CB-CE2 3.97Å; A25-F76 HydrophobicContact CB-CZ 3.71Å; A25-L78 HydrophobicContact CB-CD2 3.8Å; A25-I83 HydrophobicContact CB-CD1 3.61Å
26A96.9Very high97.3Very high32 Ų3264.8 Ų64.826%0.26433%0.33SS..Hα-helixtrans-62.2-48.4175.300000111.2V22 Y23 A28 M29 D30 L78V22-A26 WeakPolarHBondContact O-CB 3.43Å; V22-A26 PolarHBondContact O-N 2.8Å; Y23-A26 PolarHBondContact O-N 3.16Å; A26-A28 VanDerWaalsContact C-N 3.31Å; A26-A28 PolarHBondContact O-N 3.05Å; A26-M29 PolarHBondContact O-N 2.62Å; A26-M29 VanDerWaalsContact O-N 3.16Å; A26-D30 PolarHBondContact O-N 2.78Å; A26-D30 VanDerWaalsContact O-N 3.09Å; A26-L78 HydrophobicContact CB-CD2 4.15Å
27N96.7Very high97.4Very high38 Ų3865.5 Ų65.520%0.20333%0.325CS..Hα-helixtrans-59.7-42.4175.4-67.9-8.4000111.9Y23 I24 M29 D30 E31 Y41Y23-N27 WeakPolarHBondContact CE1-ND2 3.34Å; Y23-N27 VanDerWaalsContact CZ-ND2 3.3Å; Y23-N27 PolarHBondContact O-N 2.88Å; Y23-N27 PolarHBondContact OH-ND2 2.87Å; I24-N27 PolarHBondContact O-N 2.98Å; N27-M29 VanDerWaalsContact C-N 3.28Å; N27-M29 PolarHBondContact O-N 2.83Å; N27-D30 PolarHBondContact O-N 2.91Å; N27-D30 VanDerWaalsContact O-N 3.16Å; N27-E31 WeakPolarHBondContact O-CG 3.44Å; N27-E31 PolarHBondContact O-N 3.44Å; N27-Y41 HydrophobicContact CB-CE1 4.44Å
28A97.6Very high97.3Very high0 Ų065 Ų650%032%0.323CS..Hα-helixtrans-60.3-38.8177.700000112.2I24 A25 A26 D30 H32 I38 Y41 I42I24-A28 WeakPolarHBondContact O-CB 3.42Å; I24-A28 PolarHBondContact O-N 2.91Å; A25-A28 PolarHBondContact O-N 3.42Å; A26-A28 VanDerWaalsContact C-N 3.31Å; A26-A28 PolarHBondContact O-N 3.05Å; A28-D30 VanDerWaalsContact C-N 3.34Å; A28-H32 VanDerWaalsContact O-CB 3.29Å; A28-H32 WeakPolarHBondContact O-CB 3.37Å; A28-H32 PolarHBondContact O-N 2.89Å; A28-I38 HydrophobicContact CB-CB 4.48Å; A28-I38 HydrophobicContact CB-CG2 3.9Å; A28-Y41 HydrophobicContact CB-CD1 3.5Å; A28-Y41 HydrophobicContact CB-CE1 4.11Å; A28-Y41 HydrophobicContact CB-CG 3.98Å; A28-I42 HydrophobicContact CB-CD1 4.49Å; A28-I42 HydrophobicContact CB-CG1 3.99Å
29M95.2Very high97.4Very high38 Ų3863.7 Ų63.719%0.18732%0.319CS..Hα-helixtrans-72.7-24.9177.6-74.5-17953.600113.5A25 A26 N27 I38 L78 H81A25-M29 WeakPolarHBondContact O-CG 3.28Å; A25-M29 PolarHBondContact O-N 3.48Å; A26-M29 PolarHBondContact O-N 2.62Å; A26-M29 VanDerWaalsContact O-N 3.16Å; N27-M29 VanDerWaalsContact C-N 3.28Å; N27-M29 PolarHBondContact O-N 2.83Å; M29-I38 HydrophobicContact CG-CD1 4.06Å; M29-I38 HydrophobicContact CG-CG2 4.32Å; M29-L78 HydrophobicContact SD-CB 4.09Å; M29-L78 HydrophobicContact SD-CD2 3.63Å; M29-L78 HydrophobicContact SD-CG 3.81Å; M29-H81 VanDerWaalsContact CE-ND1 3.28Å; M29-H81 WeakPolarHBondContact CE-ND1 3.34Å
30D94.9Very high97.4Very high131 Ų13166.1 Ų66.170%0.70132%0.323SS*.Hα-helixtrans-80.7-31.7174.7-73.1-18.5000112A26 N27 A28A26-D30 PolarHBondContact O-N 2.78Å; A26-D30 VanDerWaalsContact O-N 3.09Å; N27-D30 PolarHBondContact O-N 2.91Å; N27-D30 VanDerWaalsContact O-N 3.16Å; A28-D30 VanDerWaalsContact C-N 3.34Å
31E96.4Very high97.4Very high119 Ų11966.5 Ų66.556%0.55632%0.322SS*.Hα-helixtrans-93.1-21-176.4-68.9-179.1-165.500114.2N27 Y41N27-E31 WeakPolarHBondContact O-CG 3.44Å; N27-E31 PolarHBondContact O-N 3.44Å; E31-Y41 WeakPolarHBondContact OE2-CE2 3.46Å
32H97Very high97.4Very high50 Ų5066.6 Ų66.623%0.23132%0.323CS..  trans-132.1145.4-170.9-57.4-48.2000113.4A28 E37 I38 Y41A28-H32 VanDerWaalsContact O-CB 3.29Å; A28-H32 WeakPolarHBondContact O-CB 3.37Å; A28-H32 PolarHBondContact O-N 2.89Å; H32-E37 HydrophobicContact CB-CB 3.67Å; H32-I38 HydrophobicContact CB-CG1 3.99Å; H32-Y41 AromaticContact CD2-CD2 3.88Å; H32-Y41 AromaticContact CD2-CG 3.98Å; H32-Y41 AromaticContact NE2-CD2 3.2Å; H32-Y41 WeakPolarHBondContact NE2-CD2 3.44Å; H32-Y41 AromaticContact NE2-CE2 4Å; H32-Y41 AromaticContact NE2-CG 3.75Å
33N94Very high97.4Very high162 Ų16268.1 Ų68.187%0.86633%0.327SS*.SBendtrans-101.7-21.4-172.5-65.3-61.1000113.4
34T96.7Very high97.5Very high62 Ų6264.1 Ų64.138%0.3832%0.315SS..SBendtrans-107.9144.4-177.368.30000111.6Q36 E37 I38T34-Q36 PolarHBondContact O-N 3.1Å; T34-Q36 VanDerWaalsContact O-N 3.17Å; T34-E37 PolarHBondContact N-OE2 3.22Å; T34-E37 PolarHBondContact O-N 2.89Å; T34-E37 VanDerWaalsContact O-N 3.08Å; T34-E37 WeakPolarHBondContact OG1-CB 3.49Å; T34-E37 WeakPolarHBondContact OG1-CG 3.33Å; T34-E37 PolarHBondContact OG1-N 3.13Å; T34-E37 PolarHBondContact OG1-OE2 3.3Å; T34-I38 WeakPolarHBondContact O-CG1 3.48Å; T34-I38 PolarHBondContact O-N 3.48Å
35E97.7Very high97.5Very high87 Ų8766.7 Ų66.741%0.40733%0.326SS..Hα-helixtrans-55-35175.8-63.3176.5149.500111.7I38 A39 V58 G59 G60E35-I38 PolarHBondContact O-N 2.99Å; E35-A39 VanDerWaalsContact O-CB 3.31Å; E35-A39 WeakPolarHBondContact O-CB 3.49Å; E35-A39 PolarHBondContact O-N 3.11Å; E35-V58 HydrophobicContact CB-CB 4.39Å; E35-V58 HydrophobicContact CB-CG1 4.12Å; E35-V58 HydrophobicContact CG-CG1 4.28Å; E35-G59 VanDerWaalsContact OE1-CA 3.3Å; E35-G59 WeakPolarHBondContact OE1-CA 3.32Å; E35-G60 PolarHBondContact OE1-N 3.12Å; E35-G60 VanDerWaalsContact OE1-N 3.16Å
36Q98.1Very high97.5Very high161 Ų16166.7 Ų66.775%0.75233%0.326SS*.Hα-helixtrans-64.3-45.6177-173.5-178.823.200112.4T34 R40T34-Q36 PolarHBondContact O-N 3.1Å; T34-Q36 VanDerWaalsContact O-N 3.17Å; Q36-R40 WeakPolarHBondContact O-CB 3.39Å; Q36-R40 PolarHBondContact O-N 3.39Å
37E98.4Very high97.6Very high86 Ų8666.2 Ų66.240%0.40232%0.319SS..Hα-helixtrans-67.1-41.3177.9-72.2164.9145.800111.2H32 T34 R40 Y41H32-E37 HydrophobicContact CB-CB 3.67Å; T34-E37 PolarHBondContact N-OE2 3.22Å; T34-E37 PolarHBondContact O-N 2.89Å; T34-E37 VanDerWaalsContact O-N 3.08Å; T34-E37 WeakPolarHBondContact OG1-CB 3.49Å; T34-E37 WeakPolarHBondContact OG1-CG 3.33Å; T34-E37 PolarHBondContact OG1-N 3.13Å; T34-E37 PolarHBondContact OG1-OE2 3.3Å; E37-R40 PolarHBondContact O-N 2.86Å; E37-Y41 WeakPolarHBondContact O-CB 3.12Å; E37-Y41 PolarHBondContact O-N 3.29Å
38I98.4Very high97.7Very high3 Ų371.5 Ų71.52%0.01534%0.342CS..Hα-helixtrans-59.8-50.8176-64.2163.3000110.1A28 M29 H32 T34 E35 R40 Y41 I42 V58A28-I38 HydrophobicContact CB-CB 4.48Å; A28-I38 HydrophobicContact CB-CG2 3.9Å; M29-I38 HydrophobicContact CG-CD1 4.06Å; M29-I38 HydrophobicContact CG-CG2 4.32Å; H32-I38 HydrophobicContact CB-CG1 3.99Å; T34-I38 WeakPolarHBondContact O-CG1 3.48Å; T34-I38 PolarHBondContact O-N 3.48Å; E35-I38 PolarHBondContact O-N 2.99Å; I38-R40 VanDerWaalsContact C-N 3.3Å; I38-R40 PolarHBondContact O-N 3.24Å; I38-Y41 PolarHBondContact O-N 3.36Å; I38-I42 HydrophobicContact CG2-CD1 3.76Å; I38-I42 HydrophobicContact CG2-CG1 4.48Å; I38-I42 VanDerWaalsContact O-CG1 3.32Å; I38-I42 WeakPolarHBondContact O-CG1 3.48Å; I38-I42 PolarHBondContact O-N 2.9Å; I38-V58 HydrophobicContact CB-CG1 4.47Å; I38-V58 HydrophobicContact CG2-CG1 4.16Å; I38-V58 HydrophobicContact CG2-CG2 4Å
39A98.8Very high97.7Very high15 Ų1576.7 Ų76.712%0.12437%0.365CS..Hα-helixtrans-59.6-41.7178.500000112E35 K43 C56 V58E35-A39 VanDerWaalsContact O-CB 3.31Å; E35-A39 WeakPolarHBondContact O-CB 3.49Å; E35-A39 PolarHBondContact O-N 3.11Å; A39-K43 WeakPolarHBondContact O-CB 3.32Å; A39-K43 PolarHBondContact O-N 3Å; A39-C56 WeakPolarHBondContact O-CB 3.4Å; A39-V58 HydrophobicContact CB-CB 4.12Å; A39-V58 HydrophobicContact CB-CG2 3.71Å
40R98.7Very high97.9Very high181 Ų18177.1 Ų77.168%0.68337%0.365SS*.Hα-helixtrans-63.1-46.3177-178.1-179.4-179.7-178.70.5111.5Q36 E37 I38 I44Q36-R40 WeakPolarHBondContact O-CB 3.39Å; Q36-R40 PolarHBondContact O-N 3.39Å; E37-R40 PolarHBondContact O-N 2.86Å; I38-R40 VanDerWaalsContact C-N 3.3Å; I38-R40 PolarHBondContact O-N 3.24Å; R40-I44 HydrophobicContact CG-CD1 3.8Å; R40-I44 VanDerWaalsContact O-CG1 3.28Å; R40-I44 WeakPolarHBondContact O-CG1 3.17Å; R40-I44 PolarHBondContact O-N 3.29Å
41Y98.7Very high98Very high40 Ų4078.4 Ų78.416%0.15736%0.364CS..Hα-helixtrans-61.1-50.9179.3-177.8-82.1000111.2I24 N27 A28 E31 H32 E37 I38 K43 I44 Q45I24-Y41 HydrophobicContact CG2-CD1 4.19Å; I24-Y41 HydrophobicContact CG2-CE1 4.1Å; N27-Y41 HydrophobicContact CB-CE1 4.44Å; A28-Y41 HydrophobicContact CB-CD1 3.5Å; A28-Y41 HydrophobicContact CB-CE1 4.11Å; A28-Y41 HydrophobicContact CB-CG 3.98Å; E31-Y41 WeakPolarHBondContact OE2-CE2 3.46Å; H32-Y41 AromaticContact CD2-CD2 3.88Å; H32-Y41 AromaticContact CD2-CG 3.98Å; H32-Y41 AromaticContact NE2-CD2 3.2Å; H32-Y41 WeakPolarHBondContact NE2-CD2 3.44Å; H32-Y41 AromaticContact NE2-CE2 4Å; H32-Y41 AromaticContact NE2-CG 3.75Å; E37-Y41 WeakPolarHBondContact O-CB 3.12Å; E37-Y41 PolarHBondContact O-N 3.29Å; I38-Y41 PolarHBondContact O-N 3.36Å; Y41-K43 VanDerWaalsContact C-N 3.33Å; Y41-K43 PolarHBondContact O-N 3.45Å; Y41-I44 PolarHBondContact O-N 2.97Å; Y41-I44 VanDerWaalsContact O-N 3.16Å; Y41-Q45 HydrophobicContact CD1-CG 3.83Å; Y41-Q45 HydrophobicContact CE1-CG 3.56Å; Y41-Q45 HydrophobicContact CG-CG 4.47Å; Y41-Q45 WeakPolarHBondContact O-CG 3.43Å; Y41-Q45 PolarHBondContact O-N 3.39Å
42I98.8Very high98.1Very high1 Ų176 Ų761%0.00536%0.359CS..Hα-helixtrans-57.6-48.3-179.3-65.1166.7000110.3I24 A25 A28 I38 I44 Q45 F46 C56 V58 I83 L85I24-I42 HydrophobicContact CG2-CB 4.34Å; I24-I42 HydrophobicContact CG2-CG1 4.18Å; I24-I42 HydrophobicContact CG2-CG2 4.36Å; A25-I42 HydrophobicContact CB-CD1 3.79Å; A25-I42 HydrophobicContact CB-CG1 4.32Å; A28-I42 HydrophobicContact CB-CD1 4.49Å; A28-I42 HydrophobicContact CB-CG1 3.99Å; I38-I42 HydrophobicContact CG2-CD1 3.76Å; I38-I42 HydrophobicContact CG2-CG1 4.48Å; I38-I42 VanDerWaalsContact O-CG1 3.32Å; I38-I42 WeakPolarHBondContact O-CG1 3.48Å; I38-I42 PolarHBondContact O-N 2.9Å; I42-I44 PolarHBondContact O-N 3.4Å; I42-Q45 PolarHBondContact O-N 2.97Å; I42-F46 HydrophobicContact CG2-CD2 4.32Å; I42-F46 WeakPolarHBondContact O-CB 3.3Å; I42-F46 PolarHBondContact O-N 3.03Å; I42-C56 HydrophobicContact CG2-CB 4.47Å; I42-V58 HydrophobicContact CD1-CG2 4.23Å; I42-I83 HydrophobicContact CD1-CD1 4.23Å; I42-I83 HydrophobicContact CD1-CG2 4.14Å; I42-L85 HydrophobicContact CG2-CD1 4.15Å; I42-L85 HydrophobicContact CG2-CD2 3.96Å
43K98.9Very high98.1Very high67 Ų6782.5 Ų82.529%0.29138%0.383SS..Hα-helixtrans-55.7-50.2176.4170.3175167.548.60111.9A39 Y41 Q45 F46 D47 W54 C56A39-K43 WeakPolarHBondContact O-CB 3.32Å; A39-K43 PolarHBondContact O-N 3Å; Y41-K43 VanDerWaalsContact C-N 3.33Å; Y41-K43 PolarHBondContact O-N 3.45Å; K43-Q45 PolarHBondContact O-N 3.16Å; K43-F46 PolarHBondContact O-N 3.31Å; K43-D47 IonicContact NZ-OD1 3.67Å; K43-D47 IonicContact NZ-OD2 2.69Å; K43-D47 PolarHBondContact NZ-OD2 3.48Å; K43-D47 WeakPolarHBondContact O-CB 3.42Å; K43-D47 VanDerWaalsContact O-CG 3.3Å; K43-D47 PolarHBondContact O-N 2.91Å; K43-W54 VanDerWaalsContact CD-O 3.28Å; K43-W54 WeakPolarHBondContact CD-O 3.29Å; K43-W54 WeakPolarHBondContact CE-O 3.43Å; K43-W54 WeakPolarHBondContact CG-O 3.44Å; K43-W54 PolarHBondContact NZ-O 3.48Å; K43-C56 HydrophobicContact CB-CB 4.08Å
44I98.7Very high98.3Very high61 Ų6174.8 Ų74.831%0.31334%0.341SS..Hα-helixtrans-61.6-45.6-177.4-72169.7000110.7R40 Y41 I42 F46 D47 H48R40-I44 HydrophobicContact CG-CD1 3.8Å; R40-I44 VanDerWaalsContact O-CG1 3.28Å; R40-I44 WeakPolarHBondContact O-CG1 3.17Å; R40-I44 PolarHBondContact O-N 3.29Å; Y41-I44 PolarHBondContact O-N 2.97Å; Y41-I44 VanDerWaalsContact O-N 3.16Å; I42-I44 PolarHBondContact O-N 3.4Å; I44-F46 VanDerWaalsContact C-N 3.34Å; I44-F46 PolarHBondContact O-N 3.46Å; I44-D47 PolarHBondContact O-N 3.06Å; I44-H48 WeakPolarHBondContact O-CB 3.37Å; I44-H48 PolarHBondContact O-CD2 2.93Å; I44-H48 VanDerWaalsContact O-CD2 3.29Å; I44-H48 VanDerWaalsContact O-CG 3.26Å; I44-H48 PolarHBondContact O-N 2.99Å
45Q98.7Very high98.4Very high66 Ų6675.6 Ų75.631%0.30834%0.341SS..Hα-helixtrans-63.8-40.1178.8-65.4-56.5-33.300112I24 Y41 I42 K43 H48 K49I24-Q45 HydrophobicContact CD1-CB 3.95Å; I24-Q45 HydrophobicContact CG1-CB 4.3Å; I24-Q45 HydrophobicContact CG2-CB 3.7Å; I24-Q45 HydrophobicContact CG2-CG 4.04Å; Y41-Q45 HydrophobicContact CD1-CG 3.83Å; Y41-Q45 HydrophobicContact CE1-CG 3.56Å; Y41-Q45 HydrophobicContact CG-CG 4.47Å; Y41-Q45 WeakPolarHBondContact O-CG 3.43Å; Y41-Q45 PolarHBondContact O-N 3.39Å; I42-Q45 PolarHBondContact O-N 2.97Å; K43-Q45 PolarHBondContact O-N 3.16Å; Q45-H48 PolarHBondContact O-N 3.38Å; Q45-K49 WeakPolarHBondContact O-CB 3.38Å; Q45-K49 PolarHBondContact O-N 3.46Å
46F98.7Very high98.4Very high0 Ų072.6 Ų72.60%033%0.329CS..Hα-helixtrans-69.6-38.5176.1-99-106.1000113.3M17 A21 I24 I42 K43 I44 H48 K49 Y50 W54 L85M17-F46 HydrophobicContact CG-CE1 4.1Å; A21-F46 HydrophobicContact CB-CE2 4.1Å; A21-F46 HydrophobicContact CB-CZ 3.63Å; I24-F46 HydrophobicContact CB-CE2 4.37Å; I24-F46 HydrophobicContact CD1-CD2 3.77Å; I24-F46 HydrophobicContact CD1-CE2 3.55Å; I24-F46 HydrophobicContact CG2-CD2 4.47Å; I42-F46 HydrophobicContact CG2-CD2 4.32Å; I42-F46 WeakPolarHBondContact O-CB 3.3Å; I42-F46 PolarHBondContact O-N 3.03Å; K43-F46 PolarHBondContact O-N 3.31Å; I44-F46 VanDerWaalsContact C-N 3.34Å; I44-F46 PolarHBondContact O-N 3.46Å; F46-H48 VanDerWaalsContact C-N 3.29Å; F46-H48 PolarHBondContact O-N 2.97Å; F46-K49 PolarHBondContact O-N 3.17Å; F46-Y50 AromaticContact CD1-CD2 3.41Å; F46-Y50 HydrophobicContact CD1-CD2 3.41Å; F46-Y50 VanDerWaalsContact CD1-CD2 3.41Å; F46-Y50 AromaticContact CD1-CE2 3.85Å; F46-Y50 HydrophobicContact CD1-CE2 3.85Å; F46-Y50 HydrophobicContact CD1-CG 4.46Å; F46-Y50 AromaticContact CE1-CD2 3.52Å; F46-Y50 HydrophobicContact CE1-CD2 3.52Å; F46-Y50 AromaticContact CE1-CE2 3.47Å; F46-Y50 HydrophobicContact CE1-CE2 3.47Å; F46-Y50 VanDerWaalsContact CE1-CE2 3.47Å; F46-Y50 HydrophobicContact CE2-CE2 4.36Å; F46-Y50 HydrophobicContact CG-CD2 4.02Å; F46-Y50 HydrophobicContact CG-CE2 4.44Å; F46-Y50 HydrophobicContact CZ-CD2 4.18Å; F46-Y50 AromaticContact CZ-CE2 3.74Å; F46-Y50 HydrophobicContact CZ-CE2 3.74Å; F46-Y50 WeakPolarHBondContact O-CA 3.39Å; F46-Y50 WeakPolarHBondContact O-CB 3.37Å; F46-Y50 PolarHBondContact O-N 3.5Å; F46-W54 HydrophobicContact CB-CB 4.23Å; F46-W54 HydrophobicContact CB-CD2 4.1Å; F46-W54 HydrophobicContact CB-CG 3.81Å; F46-W54 AromaticContact CD1-CD2 3.79Å; F46-W54 HydrophobicContact CD1-CD2 3.79Å; F46-W54 AromaticContact CD1-CE2 3.65Å; F46-W54 AromaticContact CD1-CE3 3.99Å; F46-W54 HydrophobicContact CD1-CE3 3.99Å; F46-W54 HydrophobicContact CD1-CG 4.39Å; F46-W54 AromaticContact CD1-CH2 3.95Å; F46-W54 HydrophobicContact CD1-CH2 3.95Å; F46-W54 AromaticContact CD1-CZ2 3.74Å; F46-W54 HydrophobicContact CD1-CZ2 3.74Å; F46-W54 HydrophobicContact CD1-CZ3 4.08Å; F46-W54 HydrophobicContact CE1-CH2 4.12Å; F46-W54 HydrophobicContact CE1-CZ2 4.23Å; F46-W54 HydrophobicContact CE1-CZ3 4.37Å; F46-W54 HydrophobicContact CG-CD2 4.38Å; F46-W54 PolarHBondContact O-NE1 2.72Å; F46-L85 HydrophobicContact CB-CD1 4.48Å; F46-L85 HydrophobicContact CD1-CD1 4.48Å; F46-L85 HydrophobicContact CD1-CD2 3.63Å; F46-L85 HydrophobicContact CD1-CG 4.31Å; F46-L85 HydrophobicContact CD2-CD2 3.71Å; F46-L85 HydrophobicContact CE1-CD2 3.54Å; F46-L85 HydrophobicContact CE1-CG 4.49Å; F46-L85 HydrophobicContact CE2-CD2 3.63Å; F46-L85 HydrophobicContact CG-CD1 4.33Å; F46-L85 HydrophobicContact CG-CD2 3.72Å; F46-L85 HydrophobicContact CZ-CD2 3.56Å
47D98.6Very high98.4Very high22 Ų2268.2 Ų68.212%0.11831%0.31CS..Hα-helixtrans-60.6-41.7173.1-77.7-18.5000111K43 I44 K51 P52 W54K43-D47 IonicContact NZ-OD1 3.67Å; K43-D47 IonicContact NZ-OD2 2.69Å; K43-D47 PolarHBondContact NZ-OD2 3.48Å; K43-D47 WeakPolarHBondContact O-CB 3.42Å; K43-D47 VanDerWaalsContact O-CG 3.3Å; K43-D47 PolarHBondContact O-N 2.91Å; I44-D47 PolarHBondContact O-N 3.06Å; D47-K51 CarbonylContact O-C 3.57Å; D47-K51 VanDerWaalsContact O-C 3.24Å; D47-K51 WeakPolarHBondContact O-CA 3.13Å; D47-K51 PolarHBondContact O-N 3.5Å; D47-K51 VanDerWaalsContact O-N 3.1Å; D47-P52 HydrophobicContact CB-CG 4.41Å; D47-P52 WeakPolarHBondContact O-CD 3.4Å; D47-P52 WeakPolarHBondContact OD1-CA 3.39Å; D47-W54 WeakPolarHBondContact OD1-CB 3.46Å; D47-W54 PolarHBondContact OD1-N 2.94Å
48H98.5Very high98.4Very high149 Ų14964.9 Ų64.969%0.6930%0.295SS*.Hα-helixtrans-68-45.6177.6-71.2-170.5000112.2I44 Q45 F46I44-H48 WeakPolarHBondContact O-CB 3.37Å; I44-H48 PolarHBondContact O-CD2 2.93Å; I44-H48 VanDerWaalsContact O-CD2 3.29Å; I44-H48 VanDerWaalsContact O-CG 3.26Å; I44-H48 PolarHBondContact O-N 2.99Å; Q45-H48 PolarHBondContact O-N 3.38Å; F46-H48 VanDerWaalsContact C-N 3.29Å; F46-H48 PolarHBondContact O-N 2.97Å
49K98.4Very high98.3Very high110 Ų11065.1 Ų65.148%0.47830%0.299SS..Hα-helixtrans-80.9-37-174-173.5165.7176.4168.90113.7D20 Q45 F46D20-K49 IonicContact OD1-NZ 2.68Å; D20-K49 PolarHBondContact OD1-NZ 3.03Å; D20-K49 WeakPolarHBondContact OD2-CE 3.42Å; D20-K49 IonicContact OD2-NZ 2.72Å; D20-K49 PolarHBondContact OD2-NZ 3.44Å; Q45-K49 WeakPolarHBondContact O-CB 3.38Å; Q45-K49 PolarHBondContact O-N 3.46Å; F46-K49 PolarHBondContact O-N 3.17Å
50Y98.3Very high98Very high46 Ų4666.1 Ų66.118%0.1831%0.311CS..Hα-helixtrans-123.318.7-171.5-57.8-68.4000114.2M17 D20 F46 W54M17-Y50 HydrophobicContact CE-CD1 3.54Å; M17-Y50 HydrophobicContact CE-CE1 3.58Å; M17-Y50 HydrophobicContact CE-CG 3.99Å; M17-Y50 HydrophobicContact CG-CE1 4.28Å; M17-Y50 HydrophobicContact CG-CE2 4.03Å; D20-Y50 HydrophobicContact CB-CE2 4.37Å; D20-Y50 WeakPolarHBondContact CB-OH 3.2Å; D20-Y50 VanDerWaalsContact CG-OH 3.28Å; D20-Y50 PolarHBondContact OD2-OH 3.35Å; F46-Y50 AromaticContact CD1-CD2 3.41Å; F46-Y50 HydrophobicContact CD1-CD2 3.41Å; F46-Y50 VanDerWaalsContact CD1-CD2 3.41Å; F46-Y50 AromaticContact CD1-CE2 3.85Å; F46-Y50 HydrophobicContact CD1-CE2 3.85Å; F46-Y50 HydrophobicContact CD1-CG 4.46Å; F46-Y50 AromaticContact CE1-CD2 3.52Å; F46-Y50 HydrophobicContact CE1-CD2 3.52Å; F46-Y50 AromaticContact CE1-CE2 3.47Å; F46-Y50 HydrophobicContact CE1-CE2 3.47Å; F46-Y50 VanDerWaalsContact CE1-CE2 3.47Å; F46-Y50 HydrophobicContact CE2-CE2 4.36Å; F46-Y50 HydrophobicContact CG-CD2 4.02Å; F46-Y50 HydrophobicContact CG-CE2 4.44Å; F46-Y50 HydrophobicContact CZ-CD2 4.18Å; F46-Y50 AromaticContact CZ-CE2 3.74Å; F46-Y50 HydrophobicContact CZ-CE2 3.74Å; F46-Y50 WeakPolarHBondContact O-CA 3.39Å; F46-Y50 WeakPolarHBondContact O-CB 3.37Å; F46-Y50 PolarHBondContact O-N 3.5Å; Y50-W54 HydrophobicContact CG-CZ2 4.45Å
51K97.4Very high97.6Very high158 Ų15864.4 Ų64.469%0.68732%0.32SS*.  trans70.3145.4179.9-49174.2-178178.10113.3D47 W54 K87D47-K51 CarbonylContact O-C 3.57Å; D47-K51 VanDerWaalsContact O-C 3.24Å; D47-K51 WeakPolarHBondContact O-CA 3.13Å; D47-K51 PolarHBondContact O-N 3.5Å; D47-K51 VanDerWaalsContact O-N 3.1Å; K51-W54 PolarHBondContact O-NE1 3.2Å; K51-K87 PolarHBondContact O-NZ 3.43Å
52P97.5Very high97.4Very high69 Ų6964.7 Ų64.745%0.44832%0.323SS..SBendtrans-57.6153.7174.5-22.332.8000113D47 K87D47-P52 HydrophobicContact CB-CG 4.41Å; D47-P52 WeakPolarHBondContact O-CD 3.4Å; D47-P52 WeakPolarHBondContact OD1-CA 3.39Å; P52-K87 PolarHBondContact O-NZ 3.31Å
53Y97Very high97.1Very high186 Ų18670.7 Ų70.773%0.72937%0.365SS*.  cis-127.994.811.3-59.4-89.9000111.2
54W98.7Very high96.8Very high0 Ų069.9 Ų69.90%037%0.367CS..EExtended strand (participates in β ladder)trans-73.4148.8179.4-71.386.2000112.4M13 M17 K43 F46 D47 Y50 K51 K72 L85 K87M13-W54 HydrophobicContact CE-CH2 4.08Å; M13-W54 HydrophobicContact CE-CZ3 4.15Å; M17-W54 HydrophobicContact SD-CH2 3.95Å; M17-W54 HydrophobicContact SD-CZ2 4.3Å; K43-W54 VanDerWaalsContact CD-O 3.28Å; K43-W54 WeakPolarHBondContact CD-O 3.29Å; K43-W54 WeakPolarHBondContact CE-O 3.43Å; K43-W54 WeakPolarHBondContact CG-O 3.44Å; K43-W54 PolarHBondContact NZ-O 3.48Å; F46-W54 HydrophobicContact CB-CB 4.23Å; F46-W54 HydrophobicContact CB-CD2 4.1Å; F46-W54 HydrophobicContact CB-CG 3.81Å; F46-W54 AromaticContact CD1-CD2 3.79Å; F46-W54 HydrophobicContact CD1-CD2 3.79Å; F46-W54 AromaticContact CD1-CE2 3.65Å; F46-W54 AromaticContact CD1-CE3 3.99Å; F46-W54 HydrophobicContact CD1-CE3 3.99Å; F46-W54 HydrophobicContact CD1-CG 4.39Å; F46-W54 AromaticContact CD1-CH2 3.95Å; F46-W54 HydrophobicContact CD1-CH2 3.95Å; F46-W54 AromaticContact CD1-CZ2 3.74Å; F46-W54 HydrophobicContact CD1-CZ2 3.74Å; F46-W54 HydrophobicContact CD1-CZ3 4.08Å; F46-W54 HydrophobicContact CE1-CH2 4.12Å; F46-W54 HydrophobicContact CE1-CZ2 4.23Å; F46-W54 HydrophobicContact CE1-CZ3 4.37Å; F46-W54 HydrophobicContact CG-CD2 4.38Å; F46-W54 PolarHBondContact O-NE1 2.72Å; D47-W54 WeakPolarHBondContact OD1-CB 3.46Å; D47-W54 PolarHBondContact OD1-N 2.94Å; Y50-W54 HydrophobicContact CG-CZ2 4.45Å; K51-W54 PolarHBondContact O-NE1 3.2Å; W54-K72 HydrophobicContact CH2-CB 3.89Å; W54-K72 HydrophobicContact CH2-CD 3.69Å; W54-K72 HydrophobicContact CH2-CG 4.41Å; W54-K72 HydrophobicContact CZ2-CD 3.63Å; W54-K72 HydrophobicContact CZ3-CB 4.22Å; W54-L85 HydrophobicContact CB-CD1 4.15Å; W54-L85 HydrophobicContact CD2-CD1 4.33Å; W54-L85 HydrophobicContact CE3-CD1 3.72Å; W54-L85 HydrophobicContact CE3-CG 3.74Å; W54-L85 HydrophobicContact CZ3-CD1 4.49Å; W54-L85 HydrophobicContact CZ3-CG 4.02Å; W54-K87 HydrophobicContact CD2-CD 3.99Å; W54-K87 HydrophobicContact CD2-CG 3.43Å; W54-K87 VanDerWaalsContact CD2-CG 3.43Å; W54-K87 HydrophobicContact CE3-CG 3.69Å; W54-K87 HydrophobicContact CG-CD 4.37Å; W54-K87 HydrophobicContact CG-CG 3.85Å; W54-K87 HydrophobicContact CH2-CD 4.48Å; W54-K87 HydrophobicContact CH2-CG 4.26Å; W54-K87 HydrophobicContact CZ2-CD 3.88Å; W54-K87 HydrophobicContact CZ2-CG 4.02Å; W54-K87 HydrophobicContact CZ3-CG 4.09Å
55H98.6Very high96.6Very high80 Ų8077.1 Ų77.137%0.3740%0.397SS..EExtended strand (participates in β ladder)trans-110.3132.5171.2-59.8-91.1000108.4L85 Y86H55-L85 WeakPolarHBondContact O-CA 3.44Å; H55-L85 WeakPolarHBondContact O-CD1 3.42Å; H55-Y86 HydrophobicContact CB-CD1 4.05Å; H55-Y86 HydrophobicContact CB-CE1 3.65Å; H55-Y86 HydrophobicContact CB-CE2 4.19Å; H55-Y86 HydrophobicContact CB-CG 4.47Å; H55-Y86 PolarHBondContact N-O 2.68Å; H55-Y86 PolarHBondContact O-N 2.99Å
56C98.7Very high96.4Very high23 Ų2375.8 Ų75.816%0.15539%0.393CS..EExtended strand (participates in β ladder)trans-128.9130.1176.6-171.80000109.8A39 I42 K43 L84 L85A39-C56 WeakPolarHBondContact O-CB 3.4Å; I42-C56 HydrophobicContact CG2-CB 4.47Å; K43-C56 HydrophobicContact CB-CB 4.08Å; C56-L84 CarbonylContact C-O 3.39Å; C56-L84 WeakPolarHBondContact CA-O 3.32Å; C56-L85 HydrophobicContact CB-CD1 4.07Å
57I98.5Very high96.4Very high70 Ų7080.5 Ų80.536%0.35943%0.426SS..EExtended strand (participates in β ladder)trans-122126.8174.7-51.2179.1000106.9F62 I83 L84I57-F62 HydrophobicContact CG2-CD1 4.39Å; I57-F62 HydrophobicContact CG2-CE1 4.25Å; I57-I83 WeakPolarHBondContact O-CA 3.2Å; I57-L84 HydrophobicContact CB-CB 4.21Å; I57-L84 HydrophobicContact CD1-CD2 4Å; I57-L84 PolarHBondContact N-O 2.88Å; I57-L84 PolarHBondContact O-N 3.28Å
58V98.4Very high96.3Very high15 Ų1582.5 Ų82.59%0.09144%0.435CS..EExtended strand (participates in β ladder)trans-124.3133.9176.4-179.90000107.3E35 I38 A39 I42 H81 S82 I83E35-V58 HydrophobicContact CB-CB 4.39Å; E35-V58 HydrophobicContact CB-CG1 4.12Å; E35-V58 HydrophobicContact CG-CG1 4.28Å; I38-V58 HydrophobicContact CB-CG1 4.47Å; I38-V58 HydrophobicContact CG2-CG1 4.16Å; I38-V58 HydrophobicContact CG2-CG2 4Å; A39-V58 HydrophobicContact CB-CB 4.12Å; A39-V58 HydrophobicContact CB-CG2 3.71Å; I42-V58 HydrophobicContact CD1-CG2 4.23Å; V58-H81 HydrophobicContact CG1-CB 4.15Å; V58-S82 WeakPolarHBondContact CA-O 3.15Å; V58-I83 HydrophobicContact CG2-CG1 4.3Å; V58-I83 HydrophobicContact CG2-CG2 4.38Å
59G96.3Very high96.3Very high9 Ų978.2 Ų78.29%0.09342%0.415CS..EExtended strand (participates in β ladder)trans-173.6159.2179.300000112.1E35 S82E35-G59 VanDerWaalsContact OE1-CA 3.3Å; E35-G59 WeakPolarHBondContact OE1-CA 3.32Å; G59-S82 PolarHBondContact N-O 2.97Å; G59-S82 WeakPolarHBondContact O-CA 3.28Å; G59-S82 WeakPolarHBondContact O-CB 3.48Å; G59-S82 PolarHBondContact O-N 2.91Å
60G91.5Very high96.2Very high36 Ų3676.4 Ų76.437%0.37142%0.42SS..SBendtrans-57.2-64.1173.100000112.9E35 S82E35-G60 PolarHBondContact OE1-N 3.12Å; E35-G60 VanDerWaalsContact OE1-N 3.16Å; G60-S82 PolarHBondContact O-OG 3.3Å
61T90.2Very high96.2Very high144 Ų14478.6 Ų78.688%0.88344%0.435SS*.SBendtrans-131.5126.4178.355.40000111.3
62F95.2Very high96.3Very high47 Ų4773.3 Ų73.321%0.20641%0.412CS..  trans-147.1165.2169.358.2-102.3000110I57 Y75 S82 L84I57-F62 HydrophobicContact CG2-CD1 4.39Å; I57-F62 HydrophobicContact CG2-CE1 4.25Å; F62-Y75 HydrophobicContact CE2-CD2 4.09Å; F62-Y75 AromaticContact CE2-CE2 3.58Å; F62-Y75 HydrophobicContact CE2-CE2 3.58Å; F62-Y75 HydrophobicContact CZ-CD2 4.15Å; F62-Y75 AromaticContact CZ-CE2 3.64Å; F62-Y75 HydrophobicContact CZ-CE2 3.64Å; F62-S82 WeakPolarHBondContact CE1-O 3.4Å; F62-L84 HydrophobicContact CE2-CB 3.89Å; F62-L84 HydrophobicContact CZ-CB 3.82Å
63S91.8Very high96.3Very high127 Ų12770.6 Ų70.689%0.88839%0.394SS*.  trans-122139.5167.8-61.40000108.1
64S92.9Very high96.4Very high49 Ų4961.8 Ų61.834%0.34336%0.359SS..  trans-134.5140.2-176.857.50000111.3
65F94.1Very high96.4Very high214 Ų21463.9 Ų63.994%0.93937%0.367SS*.  trans-137102.3166.5-166.9-102.3000106.4
66V96Very high96.3Very high37 Ų3760.1 Ų60.122%0.22435%0.35CS..  trans-121.7147.9-171.6-59.40000109.9F73 L84 Y86V66-F73 HydrophobicContact CG2-CD2 3.97Å; V66-F73 HydrophobicContact CG2-CE2 3.64Å; V66-L84 HydrophobicContact CG1-CD2 4.32Å; V66-Y86 HydrophobicContact CB-CD2 4.41Å; V66-Y86 HydrophobicContact CB-CE2 4.01Å; V66-Y86 HydrophobicContact CG1-CE1 4.19Å; V66-Y86 HydrophobicContact CG1-CE2 4.32Å; V66-Y86 HydrophobicContact CG2-CD1 4.33Å; V66-Y86 HydrophobicContact CG2-CD2 4.06Å; V66-Y86 HydrophobicContact CG2-CE1 4.41Å; V66-Y86 HydrophobicContact CG2-CE2 4.15Å; V66-Y86 HydrophobicContact CG2-CG 4.17Å
67S97.3Very high96.3Very high100 Ų10062.1 Ų62.170%0.69936%0.356SS*.  trans-84.8136162-58.10000108.7
68H97.2Very high96.1Very high64 Ų6458.9 Ų58.930%0.29634%0.339SS..  trans-139.8156.2-178.159.8-89.6000112.4D12 F73 Y86 K87D12-H68 IonicContact OD2-CD2 3.67Å; D12-H68 IonicContact OD2-NE2 3.38Å; D12-H68 PolarHBondContact OD2-NE2 2.87Å; H68-F73 HydrophobicContact CB-CB 4.21Å; H68-F73 HydrophobicContact CB-CD2 4.33Å; H68-F73 WeakPolarHBondContact CD2-CB 3.3Å; H68-F73 AromaticContact CE1-CG 3.89Å; H68-F73 AromaticContact CG-CD2 3.92Å; H68-F73 AromaticContact ND1-CD2 3.66Å; H68-F73 AromaticContact ND1-CG 3.94Å; H68-F73 AromaticContact NE2-CG 3.98Å; H68-Y86 HydrophobicContact CB-CD2 4.13Å; H68-K87 CarbonylContact C-O 3.46Å; H68-K87 WeakPolarHBondContact CA-O 3.31Å; H68-K87 VanDerWaalsContact CB-O 3.3Å; H68-K87 WeakPolarHBondContact CB-O 3.32Å
69E97.9Very high95.8Very high59 Ų5960.4 Ų60.428%0.27636%0.358SS..  trans-64.5141.8169-66.5179.2-14800110.7N71 K72 K87 L89E69-N71 PolarHBondContact O-N 3.36Å; E69-K72 HydrophobicContact CB-CB 4.07Å; E69-K72 HydrophobicContact CB-CG 3.95Å; E69-K72 WeakPolarHBondContact O-CB 3.4Å; E69-K72 PolarHBondContact O-N 3Å; E69-K87 HydrophobicContact CB-CB 4.29Å; E69-K87 HydrophobicContact CG-CB 4.1Å; E69-K87 PolarHBondContact N-O 3.16Å; E69-K87 WeakPolarHBondContact OE1-CE 3.34Å; E69-L89 HydrophobicContact CG-CD2 4.18Å
70A97.5Very high95.6Very high71 Ų7167.1 Ų67.159%0.58739%0.392SS*.THydrogen-bonded Turntrans-56.5138.2177.100000112.5K72A70-K72 PolarHBondContact O-N 3.25Å
71N97.9Very high95.7Very high92 Ų9267.5 Ų67.549%0.49238%0.384SS..THydrogen-bonded Turntrans6226.7-178.5-48.9-90.1000113.8D12 E69D12-N71 VanDerWaalsContact CG-N 3.3Å; D12-N71 CarbonylContact O-C 3.24Å; D12-N71 WeakPolarHBondContact O-CA 3.28Å; D12-N71 WeakPolarHBondContact OD1-CA 3.24Å; D12-N71 PolarHBondContact OD1-N 3.5Å; D12-N71 PolarHBondContact OD2-N 3.26Å; E69-N71 PolarHBondContact O-N 3.36Å
72K98.4Very high96.1Very high47 Ų4761 Ų6120%0.20434%0.344CS..  trans-136.641.9-178.9-55.1-68.2166.7-62.50112.5D12 W54 E69 A70 Y86 K87D12-K72 PolarHBondContact O-N 2.76Å; W54-K72 HydrophobicContact CH2-CB 3.89Å; W54-K72 HydrophobicContact CH2-CD 3.69Å; W54-K72 HydrophobicContact CH2-CG 4.41Å; W54-K72 HydrophobicContact CZ2-CD 3.63Å; W54-K72 HydrophobicContact CZ3-CB 4.22Å; E69-K72 HydrophobicContact CB-CB 4.07Å; E69-K72 HydrophobicContact CB-CG 3.95Å; E69-K72 WeakPolarHBondContact O-CB 3.4Å; E69-K72 PolarHBondContact O-N 3Å; A70-K72 PolarHBondContact O-N 3.25Å; K72-Y86 CarbonylContact O-C 2.9Å; K72-Y86 WeakPolarHBondContact O-CA 3.21Å; K72-Y86 WeakPolarHBondContact O-CB 3.48Å; K72-K87 HydrophobicContact CB-CB 3.87Å; K72-K87 HydrophobicContact CB-CD 4.16Å; K72-K87 HydrophobicContact CB-CG 4.02Å; K72-K87 HydrophobicContact CD-CD 3.86Å; K72-K87 HydrophobicContact CG-CB 4.35Å; K72-K87 HydrophobicContact CG-CD 3.93Å; K72-K87 HydrophobicContact CG-CG 4.35Å; K72-K87 PolarHBondContact O-N 3.01Å
73F98.5Very high96.2Very high13 Ų1358.7 Ų58.76%0.05733%0.334CS..EExtended strand (participates in β ladder)trans-141.8137.4178.3171.6-81.4000112.5D10 A11 D12 V66 H68 L84 L85 Y86D10-F73 HydrophobicContact CB-CE1 3.99Å; A11-F73 WeakPolarHBondContact CA-O 3.48Å; D12-F73 CarbonylContact C-O 3.59Å; D12-F73 HydrophobicContact CB-CB 4.24Å; D12-F73 PolarHBondContact N-O 3.08Å; D12-F73 PolarHBondContact O-N 3.25Å; V66-F73 HydrophobicContact CG2-CD2 3.97Å; V66-F73 HydrophobicContact CG2-CE2 3.64Å; H68-F73 HydrophobicContact CB-CB 4.21Å; H68-F73 HydrophobicContact CB-CD2 4.33Å; H68-F73 WeakPolarHBondContact CD2-CB 3.3Å; H68-F73 AromaticContact CE1-CG 3.89Å; H68-F73 AromaticContact CG-CD2 3.92Å; H68-F73 AromaticContact ND1-CD2 3.66Å; H68-F73 AromaticContact ND1-CG 3.94Å; H68-F73 AromaticContact NE2-CG 3.98Å; F73-L84 HydrophobicContact CD2-CD1 4.42Å; F73-L84 HydrophobicContact CE2-CD1 3.5Å; F73-L84 VanDerWaalsContact CE2-CD1 3.5Å; F73-L84 HydrophobicContact CE2-CG 4.47Å; F73-L84 HydrophobicContact CZ-CD1 3.62Å; F73-L85 CarbonylContact C-O 3.48Å; F73-L85 WeakPolarHBondContact CA-O 3.37Å; F73-Y86 HydrophobicContact CD2-CG 4.45Å
74I98.7Very high96.6Very high0 Ų052.7 Ų52.70%029%0.292CS..EExtended strand (participates in β ladder)trans-149.7140.5170.3-166.8177.6000111.1I8 A11 M13 Q18 A21 F76 L85I8-I74 HydrophobicContact CD1-CD1 4.06Å; I8-I74 HydrophobicContact CG2-CG1 4.49Å; A11-I74 HydrophobicContact CB-CG1 4.03Å; M13-I74 HydrophobicContact CE-CB 3.69Å; M13-I74 HydrophobicContact CE-CG2 3.62Å; M13-I74 HydrophobicContact CG-CB 4.4Å; M13-I74 HydrophobicContact SD-CB 3.8Å; M13-I74 HydrophobicContact SD-CD1 4.09Å; M13-I74 HydrophobicContact SD-CG1 4.44Å; M13-I74 HydrophobicContact SD-CG2 3.99Å; Q18-I74 HydrophobicContact CB-CD1 3.89Å; Q18-I74 HydrophobicContact CG-CD1 3.85Å; A21-I74 HydrophobicContact CB-CD1 4.04Å; A21-I74 HydrophobicContact CB-CG2 4.13Å; I74-F76 HydrophobicContact CD1-CD1 3.91Å; I74-F76 HydrophobicContact CD1-CE1 4.32Å; I74-F76 HydrophobicContact CG1-CD1 3.93Å; I74-F76 HydrophobicContact CG2-CD1 4.29Å; I74-F76 HydrophobicContact CG2-CE1 4.23Å; I74-L85 HydrophobicContact CG2-CB 3.81Å; I74-L85 HydrophobicContact CG2-CD2 4.26Å; I74-L85 HydrophobicContact CG2-CG 4.39Å; I74-L85 PolarHBondContact N-O 2.98Å; I74-L85 PolarHBondContact O-N 3.18Å
75Y98.3Very high96.8Very high44 Ų4450.4 Ų50.417%0.17328%0.276CS..EExtended strand (participates in β ladder)trans-128.3123.2171176.5-130.7000109.6K9 D10 F62 F77 I83 L84K9-Y75 HydrophobicContact CB-CD1 3.39Å; K9-Y75 HydrophobicContact CB-CE1 3.7Å; K9-Y75 HydrophobicContact CB-CG 4.23Å; K9-Y75 HydrophobicContact CG-CD1 4.13Å; K9-Y75 HydrophobicContact CG-CE1 3.96Å; K9-Y75 PolarHBondContact N-O 3.16Å; D10-Y75 PolarHBondContact N-O 3.01Å; D10-Y75 VanDerWaalsContact N-O 3.14Å; D10-Y75 PolarHBondContact O-N 3.02Å; F62-Y75 HydrophobicContact CE2-CD2 4.09Å; F62-Y75 AromaticContact CE2-CE2 3.58Å; F62-Y75 HydrophobicContact CE2-CE2 3.58Å; F62-Y75 HydrophobicContact CZ-CD2 4.15Å; F62-Y75 AromaticContact CZ-CE2 3.64Å; F62-Y75 HydrophobicContact CZ-CE2 3.64Å; Y75-F77 HydrophobicContact CE1-CE1 4.47Å; Y75-F77 HydrophobicContact CE2-CE1 4.26Å; Y75-F77 AromaticContact CZ-CE1 3.73Å; Y75-F77 WeakPolarHBondContact OH-CE1 3.27Å; Y75-I83 WeakPolarHBondContact CA-O 3.29Å; Y75-I83 WeakPolarHBondContact CD2-O 3.38Å; Y75-L84 HydrophobicContact CD2-CB 4.4Å; Y75-L84 HydrophobicContact CD2-CD1 4.14Å; Y75-L84 HydrophobicContact CG-CD1 4.22Å
76F97.9Very high97.1Very high1 Ų141.8 Ų41.80%0.00424%0.237CC..EExtended strand (participates in β ladder)trans-149.6160.3-178.765.6-80.8000112.9A6 M7 I8 A21 V22 A25 I74 L78 I83A6-F76 HydrophobicContact CB-CD2 4.38Å; M7-F76 CarbonylContact O-C 3.59Å; M7-F76 VanDerWaalsContact O-CA 3.29Å; M7-F76 WeakPolarHBondContact O-CA 3.47Å; M7-F76 WeakPolarHBondContact O-CB 3.12Å; I8-F76 HydrophobicContact CD1-CB 3.58Å; I8-F76 HydrophobicContact CD1-CG 4.09Å; A21-F76 HydrophobicContact CB-CE1 4.19Å; V22-F76 HydrophobicContact CG2-CD2 4.17Å; V22-F76 HydrophobicContact CG2-CE2 4.06Å; V22-F76 HydrophobicContact CG2-CZ 4.46Å; A25-F76 HydrophobicContact CB-CE2 3.97Å; A25-F76 HydrophobicContact CB-CZ 3.71Å; I74-F76 HydrophobicContact CD1-CD1 3.91Å; I74-F76 HydrophobicContact CD1-CE1 4.32Å; I74-F76 HydrophobicContact CG1-CD1 3.93Å; I74-F76 HydrophobicContact CG2-CD1 4.29Å; I74-F76 HydrophobicContact CG2-CE1 4.23Å; F76-L78 HydrophobicContact CD2-CB 4.28Å; F76-L78 HydrophobicContact CE2-CB 4.1Å; F76-L78 HydrophobicContact CE2-CD2 4.48Å; F76-I83 HydrophobicContact CD1-CB 4.29Å; F76-I83 HydrophobicContact CE1-CB 3.94Å; F76-I83 HydrophobicContact CE1-CG2 3.78Å; F76-I83 HydrophobicContact CE2-CB 4.23Å; F76-I83 HydrophobicContact CE2-CD1 3.79Å; F76-I83 HydrophobicContact CE2-CG1 4.45Å; F76-I83 HydrophobicContact CZ-CB 3.91Å; F76-I83 HydrophobicContact CZ-CD1 3.88Å; F76-I83 HydrophobicContact CZ-CG1 4.46Å; F76-I83 HydrophobicContact CZ-CG2 3.84Å; F76-I83 PolarHBondContact N-O 3.04Å; F76-I83 PolarHBondContact O-N 3.49Å
77F96.7Very high97.2Very high65 Ų6540.7 Ų40.729%0.28523%0.229SC..EExtended strand (participates in β ladder)trans-99.8138.4169.5-57.3-39.7000110.8A6 M7 K9 Y75 H81 S82A6-F77 WeakPolarHBondContact CA-O 3.3Å; M7-F77 HydrophobicContact CB-CB 4.27Å; M7-F77 PolarHBondContact N-O 2.93Å; M7-F77 PolarHBondContact O-N 3.36Å; M7-F77 HydrophobicContact SD-CD2 4.16Å; K9-F77 HydrophobicContact CD-CD2 4.36Å; K9-F77 HydrophobicContact CD-CE2 4.09Å; K9-F77 HydrophobicContact CG-CD2 4.15Å; K9-F77 HydrophobicContact CG-CE2 3.96Å; K9-F77 HydrophobicContact CG-CZ 4.16Å; Y75-F77 HydrophobicContact CE1-CE1 4.47Å; Y75-F77 HydrophobicContact CE2-CE1 4.26Å; Y75-F77 AromaticContact CZ-CE1 3.73Å; Y75-F77 WeakPolarHBondContact OH-CE1 3.27Å; F77-H81 WeakPolarHBondContact CA-O 3.43Å; F77-S82 WeakPolarHBondContact CD1-OG 3.34Å; F77-S82 WeakPolarHBondContact CE1-OG 3.45Å
78L95.6Very high97Very high2 Ų238.2 Ų38.21%0.0121%0.212CC..EExtended strand (participates in β ladder)trans-137.6106.9172-16967.7000109.3I4 A6 A25 A26 M29 F76 N80 H81 I83I4-L78 HydrophobicContact CB-CD1 4.23Å; I4-L78 HydrophobicContact CG2-CD1 3.46Å; I4-L78 VanDerWaalsContact CG2-CD1 3.46Å; I4-L78 HydrophobicContact CG2-CG 3.76Å; A6-L78 HydrophobicContact CB-CD1 4.01Å; A25-L78 HydrophobicContact CB-CD2 3.8Å; A26-L78 HydrophobicContact CB-CD2 4.15Å; M29-L78 HydrophobicContact SD-CB 4.09Å; M29-L78 HydrophobicContact SD-CD2 3.63Å; M29-L78 HydrophobicContact SD-CG 3.81Å; F76-L78 HydrophobicContact CD2-CB 4.28Å; F76-L78 HydrophobicContact CE2-CB 4.1Å; F76-L78 HydrophobicContact CE2-CD2 4.48Å; L78-N80 PolarHBondContact O-N 3.09Å; L78-H81 PolarHBondContact N-O 3.36Å; L78-H81 PolarHBondContact O-N 3.38Å; L78-H81 VanDerWaalsContact O-N 3.12Å; L78-I83 HydrophobicContact CB-CD1 4.18Å
79G91.9Very high96.5Very high47 Ų4744.8 Ų44.849%0.48525%0.248SC..THydrogen-bonded Turntrans62.8-122.9-17100000111.3I4I4-G79 VanDerWaalsContact CG2-N 3.28Å
80N91.3Very high96.5Very high150 Ų15044.1 Ų44.180%0.80225%0.247SC*.THydrogen-bonded Turntrans-93.54.8177.5-67.2-13.4000113.3L78L78-N80 PolarHBondContact O-N 3.09Å
81H94.9Very high96.4Very high44 Ų4442.6 Ų42.620%0.20423%0.229CC..EExtended strand (participates in β ladder)trans-105.8134.3-176.9-57.5102.4000111.1M29 V58 F77 L78 I83M29-H81 VanDerWaalsContact CE-ND1 3.28Å; M29-H81 WeakPolarHBondContact CE-ND1 3.34Å; V58-H81 HydrophobicContact CG1-CB 4.15Å; F77-H81 WeakPolarHBondContact CA-O 3.43Å; L78-H81 PolarHBondContact N-O 3.36Å; L78-H81 PolarHBondContact O-N 3.38Å; L78-H81 VanDerWaalsContact O-N 3.12Å; H81-I83 HydrophobicContact CB-CG1 4.44Å
82S97.6Very high96.3Very high7 Ų739.9 Ų39.95%0.04922%0.215CC..EExtended strand (participates in β ladder)trans-88.1134.1161.7-55.20000109.2V58 G59 G60 F62 F77V58-S82 WeakPolarHBondContact CA-O 3.15Å; G59-S82 PolarHBondContact N-O 2.97Å; G59-S82 WeakPolarHBondContact O-CA 3.28Å; G59-S82 WeakPolarHBondContact O-CB 3.48Å; G59-S82 PolarHBondContact O-N 2.91Å; G60-S82 PolarHBondContact O-OG 3.3Å; F62-S82 WeakPolarHBondContact CE1-O 3.4Å; F77-S82 WeakPolarHBondContact CD1-OG 3.34Å; F77-S82 WeakPolarHBondContact CE1-OG 3.45Å
83I98.5Very high96.2Very high0 Ų039.5 Ų39.50%022%0.215CC..EExtended strand (participates in β ladder)trans-129.5121.1-176.7-55179.4000108.8A25 I42 I57 V58 Y75 F76 L78 H81A25-I83 HydrophobicContact CB-CD1 3.61Å; I42-I83 HydrophobicContact CD1-CD1 4.23Å; I42-I83 HydrophobicContact CD1-CG2 4.14Å; I57-I83 WeakPolarHBondContact O-CA 3.2Å; V58-I83 HydrophobicContact CG2-CG1 4.3Å; V58-I83 HydrophobicContact CG2-CG2 4.38Å; Y75-I83 WeakPolarHBondContact CA-O 3.29Å; Y75-I83 WeakPolarHBondContact CD2-O 3.38Å; F76-I83 HydrophobicContact CD1-CB 4.29Å; F76-I83 HydrophobicContact CE1-CB 3.94Å; F76-I83 HydrophobicContact CE1-CG2 3.78Å; F76-I83 HydrophobicContact CE2-CB 4.23Å; F76-I83 HydrophobicContact CE2-CD1 3.79Å; F76-I83 HydrophobicContact CE2-CG1 4.45Å; F76-I83 HydrophobicContact CZ-CB 3.91Å; F76-I83 HydrophobicContact CZ-CD1 3.88Å; F76-I83 HydrophobicContact CZ-CG1 4.46Å; F76-I83 HydrophobicContact CZ-CG2 3.84Å; F76-I83 PolarHBondContact N-O 3.04Å; F76-I83 PolarHBondContact O-N 3.49Å; L78-I83 HydrophobicContact CB-CD1 4.18Å; H81-I83 HydrophobicContact CB-CG1 4.44Å
84L98.7Very high96.1Very high0 Ų041.1 Ų41.10%023%0.225CC..EExtended strand (participates in β ladder)trans-113.5124.6172.2-173.773.1000108.8C56 I57 F62 V66 F73 Y75 Y86C56-L84 CarbonylContact C-O 3.39Å; C56-L84 WeakPolarHBondContact CA-O 3.32Å; I57-L84 HydrophobicContact CB-CB 4.21Å; I57-L84 HydrophobicContact CD1-CD2 4Å; I57-L84 PolarHBondContact N-O 2.88Å; I57-L84 PolarHBondContact O-N 3.28Å; F62-L84 HydrophobicContact CE2-CB 3.89Å; F62-L84 HydrophobicContact CZ-CB 3.82Å; V66-L84 HydrophobicContact CG1-CD2 4.32Å; F73-L84 HydrophobicContact CD2-CD1 4.42Å; F73-L84 HydrophobicContact CE2-CD1 3.5Å; F73-L84 VanDerWaalsContact CE2-CD1 3.5Å; F73-L84 HydrophobicContact CE2-CG 4.47Å; F73-L84 HydrophobicContact CZ-CD1 3.62Å; Y75-L84 HydrophobicContact CD2-CB 4.4Å; Y75-L84 HydrophobicContact CD2-CD1 4.14Å; Y75-L84 HydrophobicContact CG-CD1 4.22Å; L84-Y86 HydrophobicContact CD2-CD1 4.08Å; L84-Y86 HydrophobicContact CD2-CE1 3.96Å; L84-Y86 HydrophobicContact CG-CD1 4.03Å; L84-Y86 HydrophobicContact CG-CE1 4.37Å
85L98.8Very high95.9Very high1 Ų143.9 Ų43.91%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-133.8120.7-178.6175.266000109.5A21 I42 F46 W54 H55 C56 F73 I74A21-L85 HydrophobicContact CB-CD2 4.23Å; I42-L85 HydrophobicContact CG2-CD1 4.15Å; I42-L85 HydrophobicContact CG2-CD2 3.96Å; F46-L85 HydrophobicContact CB-CD1 4.48Å; F46-L85 HydrophobicContact CD1-CD1 4.48Å; F46-L85 HydrophobicContact CD1-CD2 3.63Å; F46-L85 HydrophobicContact CD1-CG 4.31Å; F46-L85 HydrophobicContact CD2-CD2 3.71Å; F46-L85 HydrophobicContact CE1-CD2 3.54Å; F46-L85 HydrophobicContact CE1-CG 4.49Å; F46-L85 HydrophobicContact CE2-CD2 3.63Å; F46-L85 HydrophobicContact CG-CD1 4.33Å; F46-L85 HydrophobicContact CG-CD2 3.72Å; F46-L85 HydrophobicContact CZ-CD2 3.56Å; W54-L85 HydrophobicContact CB-CD1 4.15Å; W54-L85 HydrophobicContact CD2-CD1 4.33Å; W54-L85 HydrophobicContact CE3-CD1 3.72Å; W54-L85 HydrophobicContact CE3-CG 3.74Å; W54-L85 HydrophobicContact CZ3-CD1 4.49Å; W54-L85 HydrophobicContact CZ3-CG 4.02Å; H55-L85 WeakPolarHBondContact O-CA 3.44Å; H55-L85 WeakPolarHBondContact O-CD1 3.42Å; C56-L85 HydrophobicContact CB-CD1 4.07Å; F73-L85 CarbonylContact C-O 3.48Å; F73-L85 WeakPolarHBondContact CA-O 3.37Å; I74-L85 HydrophobicContact CG2-CB 3.81Å; I74-L85 HydrophobicContact CG2-CD2 4.26Å; I74-L85 HydrophobicContact CG2-CG 4.39Å; I74-L85 PolarHBondContact N-O 2.98Å; I74-L85 PolarHBondContact O-N 3.18Å
86Y98.6Very high95.7Very high33 Ų3343.9 Ų43.913%0.12925%0.245CC..EExtended strand (participates in β ladder)trans-153.4163.6-176.869.1-76.6000113.6H55 V66 H68 K72 F73 L84H55-Y86 HydrophobicContact CB-CD1 4.05Å; H55-Y86 HydrophobicContact CB-CE1 3.65Å; H55-Y86 HydrophobicContact CB-CE2 4.19Å; H55-Y86 HydrophobicContact CB-CG 4.47Å; H55-Y86 PolarHBondContact N-O 2.68Å; H55-Y86 PolarHBondContact O-N 2.99Å; V66-Y86 HydrophobicContact CB-CD2 4.41Å; V66-Y86 HydrophobicContact CB-CE2 4.01Å; V66-Y86 HydrophobicContact CG1-CE1 4.19Å; V66-Y86 HydrophobicContact CG1-CE2 4.32Å; V66-Y86 HydrophobicContact CG2-CD1 4.33Å; V66-Y86 HydrophobicContact CG2-CD2 4.06Å; V66-Y86 HydrophobicContact CG2-CE1 4.41Å; V66-Y86 HydrophobicContact CG2-CE2 4.15Å; V66-Y86 HydrophobicContact CG2-CG 4.17Å; H68-Y86 HydrophobicContact CB-CD2 4.13Å; K72-Y86 CarbonylContact O-C 2.9Å; K72-Y86 WeakPolarHBondContact O-CA 3.21Å; K72-Y86 WeakPolarHBondContact O-CB 3.48Å; F73-Y86 HydrophobicContact CD2-CG 4.45Å; L84-Y86 HydrophobicContact CD2-CD1 4.08Å; L84-Y86 HydrophobicContact CD2-CE1 3.96Å; L84-Y86 HydrophobicContact CG-CD1 4.03Å; L84-Y86 HydrophobicContact CG-CE1 4.37Å
87K98.2Very high95.5Very high14 Ų1447.2 Ų47.26%0.06126%0.263CS..EExtended strand (participates in β ladder)trans-108.8141.1163.9-62.7-177.573.5131.80109.9K51 P52 W54 H68 E69 K72K51-K87 PolarHBondContact O-NZ 3.43Å; P52-K87 PolarHBondContact O-NZ 3.31Å; W54-K87 HydrophobicContact CD2-CD 3.99Å; W54-K87 HydrophobicContact CD2-CG 3.43Å; W54-K87 VanDerWaalsContact CD2-CG 3.43Å; W54-K87 HydrophobicContact CE3-CG 3.69Å; W54-K87 HydrophobicContact CG-CD 4.37Å; W54-K87 HydrophobicContact CG-CG 3.85Å; W54-K87 HydrophobicContact CH2-CD 4.48Å; W54-K87 HydrophobicContact CH2-CG 4.26Å; W54-K87 HydrophobicContact CZ2-CD 3.88Å; W54-K87 HydrophobicContact CZ2-CG 4.02Å; W54-K87 HydrophobicContact CZ3-CG 4.09Å; H68-K87 CarbonylContact C-O 3.46Å; H68-K87 WeakPolarHBondContact CA-O 3.31Å; H68-K87 VanDerWaalsContact CB-O 3.3Å; H68-K87 WeakPolarHBondContact CB-O 3.32Å; E69-K87 HydrophobicContact CB-CB 4.29Å; E69-K87 HydrophobicContact CG-CB 4.1Å; E69-K87 PolarHBondContact N-O 3.16Å; E69-K87 WeakPolarHBondContact OE1-CE 3.34Å; K72-K87 HydrophobicContact CB-CB 3.87Å; K72-K87 HydrophobicContact CB-CD 4.16Å; K72-K87 HydrophobicContact CB-CG 4.02Å; K72-K87 HydrophobicContact CD-CD 3.86Å; K72-K87 HydrophobicContact CG-CB 4.35Å; K72-K87 HydrophobicContact CG-CD 3.93Å; K72-K87 HydrophobicContact CG-CG 4.35Å; K72-K87 PolarHBondContact O-N 3.01Å
88S94.4Very high95.4Very high48 Ų4845.7 Ų45.734%0.33626%0.262SS..  trans-99.1153.9168.9179.10000110.2
89L86.7Confident95.4Very high202 Ų20249.6 Ų49.6100%1.05828%0.284SS*.  trans-560164.4-65169.7000111.7E69E69-L89 HydrophobicContact CG-CD2 4.18Å

Retrieved 89 of 89 residues in 45.5 ms (Link to these results)

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