A0A5K4F4X4_SCHMA Loading...

Dynein light chain

AlphaFold DB , UniProt , Accession A0A5K4F4X4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 92 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
1M41.8Very low83.2Confident232 Ų232103.7 Ų103.7100%1.14356%0.562SS**  01140-74.5-178.8-11500107S3M1-S3 PolarHBondContact O-N 3.29Å
2T54.3Low84.4Confident137 Ų137100 Ų10084%0.8454%0.542SS*.  trans-57.5121.1171.4280000108.1L4T2-L4 PolarHBondContact O-N 2.9Å
3S67.8Low85.5Confident113 Ų11393.5 Ų93.579%0.7951%0.506SS*.  trans-65.1125.4173.861.60000107.6M1 K5M1-S3 PolarHBondContact O-N 3.29Å; S3-K5 PolarHBondContact O-N 3.13Å; S3-K5 VanDerWaalsContact O-N 3.11Å
4L80.6Confident86.4Confident59 Ų5992 Ų9231%0.30950%0.503SS..  trans-67.1112.6174-67.7169.9000106.8T2 A26 L78 D79T2-L4 PolarHBondContact O-N 2.9Å; L4-A26 HydrophobicContact CD1-CB 3.94Å; L4-L78 HydrophobicContact CB-CD1 3.65Å; L4-L78 HydrophobicContact CB-CG 4.13Å; L4-L78 HydrophobicContact CD1-CD2 4.37Å; L4-D79 HydrophobicContact CD2-CB 4.04Å
5K88.4Confident87.1Confident175 Ų17594.5 Ų94.576%0.76152%0.516SS*.  trans-90.4116.1178.5-174.9-179.7179.2-178.90109.1S3S3-K5 PolarHBondContact O-N 3.13Å; S3-K5 VanDerWaalsContact O-N 3.11Å
6A95.6Very high87.8Confident29 Ų2997.9 Ų97.924%0.2453%0.527CS..EExtended strand (participates in β ladder)trans-73.5142.2171.500000111.2I8 V22 F76 F77 L78A6-I8 HydrophobicContact CB-CD1 4.4Å; A6-V22 HydrophobicContact CB-CB 4.34Å; A6-V22 HydrophobicContact CB-CG1 3.72Å; A6-V22 HydrophobicContact CB-CG2 3.59Å; A6-F76 HydrophobicContact CB-CD2 4.38Å; A6-F77 CarbonylContact C-O 3.43Å; A6-F77 VanDerWaalsContact CA-O 3.31Å; A6-F77 WeakPolarHBondContact CA-O 3.36Å; A6-L78 HydrophobicContact CB-CD1 4.05Å
7I96.8Very high88.4Confident88 Ų8893.4 Ų93.445%0.45150%0.502SS..EExtended strand (participates in β ladder)trans-117.4101.7170.1-56.7172.9000107.6K9 F76 F77I7-K9 HydrophobicContact CG2-CD 4.37Å; I7-F76 CarbonylContact O-C 3.42Å; I7-F76 VanDerWaalsContact O-CA 3.25Å; I7-F76 WeakPolarHBondContact O-CA 3.44Å; I7-F76 WeakPolarHBondContact O-CB 3.5Å; I7-F77 HydrophobicContact CB-CB 4.31Å; I7-F77 PolarHBondContact N-O 3.17Å; I7-F77 PolarHBondContact O-N 2.83Å
8I97.4Very high89Confident69 Ų6990 Ų9035%0.35448%0.483SS..EExtended strand (participates in β ladder)trans-71.7129.2176.6-49.2-52.2000109.2A6 V11 V22 I74 F76A6-I8 HydrophobicContact CB-CD1 4.4Å; I8-V11 HydrophobicContact CG2-CB 4.08Å; I8-V11 HydrophobicContact CG2-CG1 4.28Å; I8-V22 HydrophobicContact CD1-CG2 4.31Å; I8-I74 HydrophobicContact CD1-CD1 4.13Å; I8-F76 HydrophobicContact CD1-CB 3.58Å; I8-F76 HydrophobicContact CD1-CG 4.2Å
9K97Very high89.5Confident122 Ų12290.7 Ų90.753%0.5348%0.483SS..EExtended strand (participates in β ladder)trans-105.6-40179.7-66.9-62.1-174.81800112.3I7 Y75 F77I7-K9 HydrophobicContact CG2-CD 4.37Å; K9-Y75 HydrophobicContact CB-CD1 3.45Å; K9-Y75 VanDerWaalsContact CB-CD1 3.45Å; K9-Y75 HydrophobicContact CB-CE1 3.64Å; K9-Y75 HydrophobicContact CB-CG 4.01Å; K9-Y75 HydrophobicContact CG-CD1 4.18Å; K9-Y75 HydrophobicContact CG-CE1 3.92Å; K9-Y75 PolarHBondContact N-O 2.9Å; K9-F77 HydrophobicContact CD-CD2 4.32Å; K9-F77 HydrophobicContact CD-CE2 4.35Å; K9-F77 HydrophobicContact CG-CD2 3.76Å; K9-F77 HydrophobicContact CG-CE2 3.87Å
10S97.4Very high89.9Confident59 Ų5987.6 Ų87.641%0.41347%0.466SS..EExtended strand (participates in β ladder)trans-156.2146.5175.7-175.90000109.2Y75S10-Y75 PolarHBondContact N-O 2.83Å; S10-Y75 VanDerWaalsContact N-O 3.17Å; S10-Y75 PolarHBondContact O-N 2.94Å
11V98.1Very high90.3Very high58 Ų5883.4 Ų83.435%0.35244%0.444SS..EExtended strand (participates in β ladder)trans-154.4140.3-175.568.90000111.6I8 M13 Q18 I74I8-V11 HydrophobicContact CG2-CB 4.08Å; I8-V11 HydrophobicContact CG2-CG1 4.28Å; V11-M13 HydrophobicContact CG2-CG 3.58Å; V11-Q18 VanDerWaalsContact CG2-CD 3.43Å; V11-Q18 HydrophobicContact CG2-CG 3.61Å; V11-I74 HydrophobicContact CB-CG1 4.31Å; V11-I74 HydrophobicContact CG2-CB 4.21Å; V11-I74 HydrophobicContact CG2-CD1 4.27Å; V11-I74 HydrophobicContact CG2-CG1 3.9Å
12D98Very high93Very high59 Ų5973.1 Ų73.132%0.31639%0.394SS..EExtended strand (participates in β ladder)trans-142.576.4168.2176.127.5000106.8H68 A70 K71 H72 F73D12-H68 IonicContact OD2-CE1 3.31Å; D12-A70 WeakPolarHBondContact OD2-CA 3.5Å; D12-K71 CarbonylContact O-C 2.85Å; D12-K71 WeakPolarHBondContact O-CA 3.31Å; D12-K71 WeakPolarHBondContact OD1-CA 3.25Å; D12-K71 PolarHBondContact OD1-N 2.99Å; D12-K71 PolarHBondContact OD2-N 3.17Å; D12-H72 PolarHBondContact O-N 3Å; D12-F73 CarbonylContact C-O 3.51Å; D12-F73 HydrophobicContact CB-CB 4.39Å; D12-F73 PolarHBondContact N-O 2.89Å; D12-F73 PolarHBondContact O-N 3.1Å
13M98Very high95.1Very high15 Ų1570.1 Ų70.17%0.07437%0.373CS..SBendtrans-168.2160.2173.258.3174.856.300110.4V11 M17 Q18 W54 K71 I74V11-M13 HydrophobicContact CG2-CG 3.58Å; M13-M17 HydrophobicContact CB-CB 4.42Å; M13-M17 HydrophobicContact CB-CG 4.49Å; M13-M17 HydrophobicContact CB-SD 3.91Å; M13-M17 HydrophobicContact CE-CG 4.31Å; M13-M17 HydrophobicContact CE-SD 4.01Å; M13-M17 HydrophobicContact CG-CB 4.46Å; M13-M17 HydrophobicContact SD-CB 4Å; M13-M17 HydrophobicContact SD-CG 3.71Å; M13-M17 HydrophobicContact SD-SD 4.04Å; M13-Q18 HydrophobicContact CG-CG 3.61Å; M13-Q18 PolarHBondContact O-NE2 2.91Å; M13-Q18 HydrophobicContact SD-CG 4.01Å; M13-W54 HydrophobicContact CE-CH2 4.07Å; M13-W54 HydrophobicContact CE-CZ3 4.07Å; M13-K71 WeakPolarHBondContact CB-O 3.5Å; M13-I74 HydrophobicContact CE-CB 3.73Å; 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 4.23Å; M13-I74 HydrophobicContact SD-CG2 3.9Å
14P98.1Very high96.5Very high73 Ų7365.5 Ų65.547%0.47434%0.339SS..  trans-63.7150.7177.3-20.733.4000113.5E16 M17 Q18P14-E16 VanDerWaalsContact C-N 3.28Å; P14-E16 PolarHBondContact O-N 3.16Å; P14-M17 WeakPolarHBondContact O-CB 3.26Å; P14-M17 PolarHBondContact O-N 3.18Å; P14-Q18 WeakPolarHBondContact O-CG 3.42Å; P14-Q18 PolarHBondContact O-N 3.42Å; P14-Q18 VanDerWaalsContact O-N 3.13Å
15D97.9Very high97.4Very high130 Ų13062.7 Ų62.770%0.69532%0.324SS*.Hα-helixtrans-55.1-38-175.9-65-16.6000113.9M17 Q18 Q19D15-M17 VanDerWaalsContact C-N 3.31Å; D15-M17 PolarHBondContact O-N 2.97Å; D15-Q18 WeakPolarHBondContact O-CB 3.27Å; D15-Q18 PolarHBondContact O-N 2.95Å; D15-Q18 PolarHBondContact OD1-NE2 3.43Å; D15-Q19 PolarHBondContact O-N 2.9Å
16E97.8Very high97.8Very high148 Ų14855.1 Ų55.169%0.69230%0.295SS*.Hα-helixtrans-58.4-44.3175.5-174.9-175.5173.700111.6P14 Q18 Q19 D20P14-E16 VanDerWaalsContact C-N 3.28Å; P14-E16 PolarHBondContact O-N 3.16Å; E16-Q18 VanDerWaalsContact C-N 3.32Å; E16-Q18 PolarHBondContact O-N 3.39Å; E16-Q19 PolarHBondContact O-N 3.33Å; E16-D20 PolarHBondContact O-N 3.21Å
17M98.3Very high97.9Very high22 Ų2258.3 Ų58.311%0.10831%0.307CS..Hα-helixtrans-69.7-31.9179.2-168179.7-7600111.9M13 P14 D15 A21 F46 Y50 W54M13-M17 HydrophobicContact CB-CB 4.42Å; M13-M17 HydrophobicContact CB-CG 4.49Å; M13-M17 HydrophobicContact CB-SD 3.91Å; M13-M17 HydrophobicContact CE-CG 4.31Å; M13-M17 HydrophobicContact CE-SD 4.01Å; M13-M17 HydrophobicContact CG-CB 4.46Å; M13-M17 HydrophobicContact SD-CB 4Å; M13-M17 HydrophobicContact SD-CG 3.71Å; M13-M17 HydrophobicContact SD-SD 4.04Å; P14-M17 WeakPolarHBondContact O-CB 3.26Å; P14-M17 PolarHBondContact O-N 3.18Å; D15-M17 VanDerWaalsContact C-N 3.31Å; D15-M17 PolarHBondContact O-N 2.97Å; M17-A21 WeakPolarHBondContact O-CB 3.36Å; M17-A21 PolarHBondContact O-N 3.43Å; M17-F46 HydrophobicContact CG-CE1 3.93Å; M17-Y50 HydrophobicContact CE-CD1 3.45Å; M17-Y50 VanDerWaalsContact CE-CD1 3.45Å; M17-Y50 HydrophobicContact CE-CD2 4.36Å; M17-Y50 HydrophobicContact CE-CE1 3.62Å; M17-Y50 HydrophobicContact CE-CG 3.82Å; M17-Y50 HydrophobicContact CG-CD2 4.49Å; M17-Y50 HydrophobicContact CG-CE1 4.24Å; M17-Y50 HydrophobicContact CG-CE2 3.97Å; M17-W54 HydrophobicContact CE-CZ2 4.47Å; M17-W54 HydrophobicContact SD-CH2 3.66Å; M17-W54 HydrophobicContact SD-CZ2 4.04Å
18Q98.5Very high97.9Very high32 Ų3254.1 Ų54.115%0.1529%0.285CS..Hα-helixtrans-65.2-46173.4-57.3176.439.900111V11 M13 P14 D15 E16 D20 A21 V22 I74V11-Q18 VanDerWaalsContact CG2-CD 3.43Å; V11-Q18 HydrophobicContact CG2-CG 3.61Å; M13-Q18 HydrophobicContact CG-CG 3.61Å; M13-Q18 PolarHBondContact O-NE2 2.91Å; M13-Q18 HydrophobicContact SD-CG 4.01Å; P14-Q18 WeakPolarHBondContact O-CG 3.42Å; P14-Q18 PolarHBondContact O-N 3.42Å; P14-Q18 VanDerWaalsContact O-N 3.13Å; D15-Q18 WeakPolarHBondContact O-CB 3.27Å; D15-Q18 PolarHBondContact O-N 2.95Å; D15-Q18 PolarHBondContact OD1-NE2 3.43Å; E16-Q18 VanDerWaalsContact C-N 3.32Å; E16-Q18 PolarHBondContact O-N 3.39Å; Q18-D20 VanDerWaalsContact C-N 3.34Å; Q18-D20 PolarHBondContact O-N 3.12Å; Q18-A21 WeakPolarHBondContact O-CB 3.41Å; Q18-A21 PolarHBondContact O-N 3.01Å; Q18-V22 WeakPolarHBondContact O-CG2 3.28Å; Q18-V22 PolarHBondContact O-N 2.96Å; Q18-V22 VanDerWaalsContact O-N 3.09Å; Q18-I74 HydrophobicContact CB-CD1 3.89Å; Q18-I74 HydrophobicContact CG-CD1 4.02Å
19Q97.9Very high97.9Very high103 Ų10352.4 Ų52.448%0.48128%0.276SS..Hα-helixtrans-62.5-44.3178.5-174.656.453.800110.6D15 E16 A21 V22 D23D15-Q19 PolarHBondContact O-N 2.9Å; E16-Q19 PolarHBondContact O-N 3.33Å; Q19-A21 VanDerWaalsContact C-N 3.3Å; Q19-A21 PolarHBondContact O-N 3.2Å; Q19-V22 PolarHBondContact O-N 2.89Å; Q19-D23 PolarHBondContact NE2-OD1 3.02Å; Q19-D23 PolarHBondContact NE2-OD2 3.29Å; Q19-D23 PolarHBondContact O-N 3.42Å
20D98.4Very high97.8Very high28 Ų2854.2 Ų54.215%0.1529%0.285CS..Hα-helixtrans-58.8-39.7173.8-80.7-51.5000112.7E16 Q18 V22 D23 I24 F46 K49 Y50E16-D20 PolarHBondContact O-N 3.21Å; Q18-D20 VanDerWaalsContact C-N 3.34Å; Q18-D20 PolarHBondContact O-N 3.12Å; D20-V22 VanDerWaalsContact C-N 3.35Å; D20-V22 PolarHBondContact O-N 3.3Å; D20-D23 PolarHBondContact O-N 2.96Å; D20-I24 VanDerWaalsContact O-CB 3.25Å; D20-I24 WeakPolarHBondContact O-CB 3.37Å; D20-I24 WeakPolarHBondContact O-CD1 3.38Å; D20-I24 WeakPolarHBondContact O-CG1 3.43Å; D20-I24 PolarHBondContact O-N 3.49Å; D20-F46 HydrophobicContact CB-CZ 4.46Å; D20-K49 IonicContact OD1-NZ 3.94Å; D20-K49 PolarHBondContact OD1-NZ 3.18Å; D20-K49 WeakPolarHBondContact OD2-CE 3.36Å; D20-K49 IonicContact OD2-NZ 2.61Å; D20-K49 PolarHBondContact OD2-NZ 3.09Å; D20-Y50 VanDerWaalsContact CB-OH 3.25Å; D20-Y50 WeakPolarHBondContact CB-OH 3.49Å; D20-Y50 VanDerWaalsContact CG-OH 3.24Å; D20-Y50 PolarHBondContact OD2-OH 3.18Å
21A98.6Very high97.8Very high0 Ų057.8 Ų57.80%029%0.292CS..Hα-helixtrans-61.5-44.1176.400000111.8M17 Q18 Q19 C25 M42 F46 I74 F76 L85M17-A21 WeakPolarHBondContact O-CB 3.36Å; M17-A21 PolarHBondContact O-N 3.43Å; Q18-A21 WeakPolarHBondContact O-CB 3.41Å; Q18-A21 PolarHBondContact O-N 3.01Å; Q19-A21 VanDerWaalsContact C-N 3.3Å; Q19-A21 PolarHBondContact O-N 3.2Å; A21-C25 WeakPolarHBondContact O-CB 3.43Å; A21-C25 PolarHBondContact O-N 3.04Å; A21-M42 WeakPolarHBondContact O-CE 3.21Å; A21-F46 VanDerWaalsContact CA-CZ 3.44Å; A21-F46 HydrophobicContact CB-CE1 4.45Å; A21-F46 HydrophobicContact CB-CE2 4.13Å; A21-F46 HydrophobicContact CB-CZ 3.58Å; A21-I74 HydrophobicContact CB-CD1 4.31Å; A21-I74 HydrophobicContact CB-CG2 4.11Å; A21-F76 HydrophobicContact CB-CE1 4.12Å; A21-F76 HydrophobicContact CB-CZ 4.47Å; A21-L85 HydrophobicContact CB-CD2 3.99Å
22V98.1Very high97.8Very high16 Ų1658.2 Ų58.210%0.09729%0.288CS..Hα-helixtrans-66.9-44.8178.4171.90000111.1A6 I8 Q18 Q19 D20 C25 A26 F76 L78A6-V22 HydrophobicContact CB-CB 4.34Å; A6-V22 HydrophobicContact CB-CG1 3.72Å; A6-V22 HydrophobicContact CB-CG2 3.59Å; I8-V22 HydrophobicContact CD1-CG2 4.31Å; Q18-V22 WeakPolarHBondContact O-CG2 3.28Å; Q18-V22 PolarHBondContact O-N 2.96Å; Q18-V22 VanDerWaalsContact O-N 3.09Å; Q19-V22 PolarHBondContact O-N 2.89Å; D20-V22 VanDerWaalsContact C-N 3.35Å; D20-V22 PolarHBondContact O-N 3.3Å; V22-C25 WeakPolarHBondContact O-CB 3.46Å; V22-C25 PolarHBondContact O-N 2.82Å; V22-A26 WeakPolarHBondContact O-CB 3.28Å; V22-A26 PolarHBondContact O-N 2.61Å; V22-F76 HydrophobicContact CG2-CD2 4.2Å; V22-F76 HydrophobicContact CG2-CE2 4.07Å; V22-F76 HydrophobicContact CG2-CZ 4.38Å; V22-L78 HydrophobicContact CG1-CD1 4.42Å
23D97.8Very high97.6Very high74 Ų7461 Ų6140%0.39631%0.313SS..Hα-helixtrans-68.2-44-177.6-71.1-26.7000111.9Q19 D20 C25 A26 I27Q19-D23 PolarHBondContact NE2-OD1 3.02Å; Q19-D23 PolarHBondContact NE2-OD2 3.29Å; Q19-D23 PolarHBondContact O-N 3.42Å; D20-D23 PolarHBondContact O-N 2.96Å; D23-C25 VanDerWaalsContact C-N 3.3Å; D23-C25 PolarHBondContact O-N 2.85Å; D23-A26 PolarHBondContact O-N 2.83Å; D23-I27 WeakPolarHBondContact O-CG1 3.46Å; D23-I27 PolarHBondContact O-N 2.9Å
24I98.4Very high97.6Very high16 Ų1664.9 Ų64.98%0.08233%0.332CS..Hα-helixtrans-62.5-40.4174.8-69.8166.8000110.1D20 I27 A28 F41 M42 E45 F46D20-I24 VanDerWaalsContact O-CB 3.25Å; D20-I24 WeakPolarHBondContact O-CB 3.37Å; D20-I24 WeakPolarHBondContact O-CD1 3.38Å; D20-I24 WeakPolarHBondContact O-CG1 3.43Å; D20-I24 PolarHBondContact O-N 3.49Å; I24-I27 PolarHBondContact O-N 2.93Å; I24-A28 WeakPolarHBondContact O-CB 3.05Å; I24-A28 PolarHBondContact O-N 3.12Å; I24-F41 HydrophobicContact CG2-CD1 4.13Å; I24-F41 HydrophobicContact CG2-CE1 3.89Å; I24-M42 HydrophobicContact CG2-CG 4.17Å; I24-E45 HydrophobicContact CD1-CB 3.98Å; I24-E45 HydrophobicContact CG1-CB 4.47Å; I24-E45 HydrophobicContact CG2-CB 3.86Å; I24-E45 HydrophobicContact CG2-CG 4.17Å; I24-F46 HydrophobicContact CB-CE2 4.39Å; I24-F46 HydrophobicContact CD1-CD2 3.9Å; I24-F46 HydrophobicContact CD1-CE2 3.54Å; I24-F46 HydrophobicContact CD1-CZ 4.49Å
25C98.3Very high97.6Very high0 Ų065 Ų650%033%0.326CS..Hα-helixtrans-63.4-43.2175.1-171.50000112.2A21 V22 D23 I27 A28 I29 M42 F76 L78A21-C25 WeakPolarHBondContact O-CB 3.43Å; A21-C25 PolarHBondContact O-N 3.04Å; V22-C25 WeakPolarHBondContact O-CB 3.46Å; V22-C25 PolarHBondContact O-N 2.82Å; D23-C25 VanDerWaalsContact C-N 3.3Å; D23-C25 PolarHBondContact O-N 2.85Å; C25-I27 VanDerWaalsContact C-N 3.28Å; C25-I27 PolarHBondContact O-N 3.06Å; C25-A28 WeakPolarHBondContact O-CB 3.3Å; C25-A28 PolarHBondContact O-N 3.44Å; C25-A28 VanDerWaalsContact O-N 3.08Å; C25-I29 WeakPolarHBondContact O-CG1 3.33Å; C25-I29 PolarHBondContact O-N 2.86Å; C25-M42 HydrophobicContact CB-CE 3.73Å; C25-M42 HydrophobicContact CB-SD 3.58Å; C25-M42 VanDerWaalsContact CB-SD 3.58Å; C25-M42 VanDerWaalsContact SG-SD 3.69Å; C25-F76 HydrophobicContact CB-CE2 4.06Å; C25-F76 HydrophobicContact CB-CZ 3.84Å; C25-L78 HydrophobicContact CB-CD2 3.9Å
26A97.4Very high97.6Very high17 Ų1764.8 Ų64.814%0.1432%0.319CS..Hα-helixtrans-61.3-36.6177.200000112.2L4 V22 D23 K30 L78L4-A26 HydrophobicContact CD1-CB 3.94Å; V22-A26 WeakPolarHBondContact O-CB 3.28Å; V22-A26 PolarHBondContact O-N 2.61Å; D23-A26 PolarHBondContact O-N 2.83Å; A26-K30 WeakPolarHBondContact O-CD 3.48Å; A26-K30 VanDerWaalsContact O-CG 3.28Å; A26-K30 WeakPolarHBondContact O-CG 3.32Å; A26-K30 PolarHBondContact O-N 3.32Å; A26-L78 HydrophobicContact CB-CD2 3.98Å
27I97.3Very high97.6Very high95 Ų9560.2 Ų60.249%0.48730%0.299SS..Hα-helixtrans-67.1-45.8172.1-66.1163.9000110.3D23 I24 C25 K30 K31 F41D23-I27 WeakPolarHBondContact O-CG1 3.46Å; D23-I27 PolarHBondContact O-N 2.9Å; I24-I27 PolarHBondContact O-N 2.93Å; C25-I27 VanDerWaalsContact C-N 3.28Å; C25-I27 PolarHBondContact O-N 3.06Å; I27-K30 PolarHBondContact O-N 3.48Å; I27-K31 PolarHBondContact O-N 3Å; I27-K31 VanDerWaalsContact O-N 3.16Å; I27-F41 HydrophobicContact CB-CE1 4.46Å; I27-F41 HydrophobicContact CG2-CE1 4.08Å; I27-F41 HydrophobicContact CG2-CZ 3.98Å
28A97.9Very high97.7Very high0 Ų059.2 Ų59.20%029%0.294CS..Hα-helixtrans-61.5-48.5-17700000112.5I24 C25 K30 K31 Y32 I38 F41 M42I24-A28 WeakPolarHBondContact O-CB 3.05Å; I24-A28 PolarHBondContact O-N 3.12Å; C25-A28 WeakPolarHBondContact O-CB 3.3Å; C25-A28 PolarHBondContact O-N 3.44Å; C25-A28 VanDerWaalsContact O-N 3.08Å; A28-K30 PolarHBondContact O-N 3.3Å; A28-K31 PolarHBondContact O-N 2.79Å; A28-Y32 WeakPolarHBondContact O-CD2 3.36Å; A28-Y32 PolarHBondContact O-N 3.36Å; A28-I38 HydrophobicContact CB-CB 4.42Å; A28-I38 HydrophobicContact CB-CG2 3.74Å; A28-F41 HydrophobicContact CB-CB 4.4Å; A28-F41 HydrophobicContact CB-CD1 3.55Å; A28-F41 HydrophobicContact CB-CE1 4.19Å; A28-F41 HydrophobicContact CB-CG 4.27Å; A28-M42 HydrophobicContact CB-CG 4.25Å
29I96.3Very high97.7Very high33 Ų3358.4 Ų58.417%0.16929%0.293CS..Hα-helixtrans-62.4-31.6179.4-68.9170.9000111.6C25 I38 L78 H81C25-I29 WeakPolarHBondContact O-CG1 3.33Å; C25-I29 PolarHBondContact O-N 2.86Å; I29-I38 HydrophobicContact CG1-CD1 4.05Å; I29-I38 HydrophobicContact CG1-CG2 4.21Å; I29-L78 HydrophobicContact CD1-CB 4.17Å; I29-L78 HydrophobicContact CD1-CD2 4Å; I29-L78 HydrophobicContact CD1-CG 4.2Å; I29-H81 HydrophobicContact CD1-CB 4.21Å
30K95.7Very high97.7Very high161 Ų16155.5 Ų55.570%0.729%0.286SS*.Hα-helixtrans-74.6-26.4175.2-71.3174.3-174.4176.70113.1A26 I27 A28A26-K30 WeakPolarHBondContact O-CD 3.48Å; A26-K30 VanDerWaalsContact O-CG 3.28Å; A26-K30 WeakPolarHBondContact O-CG 3.32Å; A26-K30 PolarHBondContact O-N 3.32Å; I27-K30 PolarHBondContact O-N 3.48Å; A28-K30 PolarHBondContact O-N 3.3Å
31K97.4Very high97.7Very high133 Ų13355.6 Ų55.658%0.57829%0.286SS*.Hα-helixtrans-94.5-30.7-174.2-172.6173.1177.6-175.20113.1I27 A28I27-K31 PolarHBondContact O-N 3Å; I27-K31 VanDerWaalsContact O-N 3.16Å; A28-K31 PolarHBondContact O-N 2.79Å
32Y97.6Very high97.7Very high68 Ų6855.6 Ų55.627%0.26729%0.286SS..  trans-128.7139.8-173-52.6-72.4000111.2A28 D37 F41A28-Y32 WeakPolarHBondContact O-CD2 3.36Å; A28-Y32 PolarHBondContact O-N 3.36Å; Y32-D37 HydrophobicContact CD1-CB 3.93Å; Y32-D37 HydrophobicContact CG-CB 3.9Å; Y32-F41 HydrophobicContact CD2-CB 4.18Å; Y32-F41 HydrophobicContact CE2-CB 3.6Å; Y32-F41 AromaticContact CE2-CD2 3.67Å; Y32-F41 HydrophobicContact CE2-CD2 3.67Å; Y32-F41 HydrophobicContact CE2-CE2 4.49Å; Y32-F41 AromaticContact CE2-CG 3.69Å; Y32-F41 HydrophobicContact CE2-CG 3.69Å
33S94.7Very high97.8Very high118 Ų11858.3 Ų58.383%0.82530%0.296SS*.SBendtrans-93.1-22.5176540000113.5
34M97.2Very high97.8Very high96 Ų9661.7 Ų61.747%0.47331%0.307SS..SBendtrans-93.6129.9-179.6-63.6-17069.400111.3K36 D37 I38M34-K36 HydrophobicContact CB-CG 4.18Å; M34-K36 HydrophobicContact CE-CD 3.95Å; M34-K36 HydrophobicContact CE-CG 4.26Å; M34-K36 PolarHBondContact O-N 3.36Å; M34-D37 HydrophobicContact CB-CB 4.43Å; M34-D37 WeakPolarHBondContact CB-OD2 3.39Å; M34-D37 PolarHBondContact O-N 2.88Å; M34-I38 PolarHBondContact O-N 3.08Å; M34-I38 VanDerWaalsContact O-N 3.13Å
35E98Very high97.8Very high76 Ų7663.3 Ų63.336%0.35531%0.314SS..Hα-helixtrans-51.8-40.8178-64.1174.7152.300112.4D37 I38 A39 V58 G59 S60E35-D37 VanDerWaalsContact C-N 3.27Å; E35-D37 PolarHBondContact O-N 3.3Å; E35-I38 PolarHBondContact O-N 3.34Å; E35-A39 WeakPolarHBondContact O-CB 3.4Å; E35-A39 PolarHBondContact O-N 3.03Å; E35-V58 HydrophobicContact CB-CB 4.27Å; E35-V58 HydrophobicContact CB-CG1 4.1Å; E35-V58 HydrophobicContact CG-CG1 4.21Å; E35-G59 VanDerWaalsContact OE1-CA 3.26Å; E35-G59 WeakPolarHBondContact OE1-CA 3.37Å; E35-S60 PolarHBondContact OE1-N 3.18Å
36K98.2Very high97.8Very high125 Ų12563.3 Ų63.354%0.54331%0.314SS..Hα-helixtrans-59-36.2176.976.5175.9178.263.60113.1M34 A40M34-K36 HydrophobicContact CB-CG 4.18Å; M34-K36 HydrophobicContact CE-CD 3.95Å; M34-K36 HydrophobicContact CE-CG 4.26Å; M34-K36 PolarHBondContact O-N 3.36Å; K36-A40 VanDerWaalsContact O-CB 3.27Å; K36-A40 WeakPolarHBondContact O-CB 3.45Å; K36-A40 PolarHBondContact O-N 3.44Å
37D98.6Very high97.8Very high51 Ų5163.7 Ų63.727%0.27331%0.314SS..Hα-helixtrans-82.1-33.5-175.8-65.8-36.3000110.7Y32 M34 E35 F41Y32-D37 HydrophobicContact CD1-CB 3.93Å; Y32-D37 HydrophobicContact CG-CB 3.9Å; M34-D37 HydrophobicContact CB-CB 4.43Å; M34-D37 WeakPolarHBondContact CB-OD2 3.39Å; M34-D37 PolarHBondContact O-N 2.88Å; E35-D37 VanDerWaalsContact C-N 3.27Å; E35-D37 PolarHBondContact O-N 3.3Å; D37-F41 WeakPolarHBondContact O-CB 3.46Å; D37-F41 PolarHBondContact O-N 2.92Å
38I98.5Very high97.9Very high1 Ų167.2 Ų67.21%0.00532%0.321CS..Hα-helixtrans-60.2-52.6168.3-60.3168.6000109.5A28 I29 M34 E35 A40 F41 M42 V58A28-I38 HydrophobicContact CB-CB 4.42Å; A28-I38 HydrophobicContact CB-CG2 3.74Å; I29-I38 HydrophobicContact CG1-CD1 4.05Å; I29-I38 HydrophobicContact CG1-CG2 4.21Å; M34-I38 PolarHBondContact O-N 3.08Å; M34-I38 VanDerWaalsContact O-N 3.13Å; E35-I38 PolarHBondContact O-N 3.34Å; I38-A40 PolarHBondContact O-N 3.35Å; I38-F41 PolarHBondContact O-N 3.02Å; I38-M42 HydrophobicContact CG2-SD 4.49Å; I38-M42 WeakPolarHBondContact O-CG 3.44Å; I38-M42 PolarHBondContact O-N 3.26Å; I38-V58 HydrophobicContact CB-CG1 4.47Å; I38-V58 HydrophobicContact CB-CG2 4.41Å; I38-V58 HydrophobicContact CG2-CG1 4.24Å; I38-V58 HydrophobicContact CG2-CG2 3.95Å
39A98.8Very high97.9Very high15 Ų1571.5 Ų71.512%0.12434%0.34CS..Hα-helixtrans-59.1-4517900000112E35 F41 M42 K43 C56 V58E35-A39 WeakPolarHBondContact O-CB 3.4Å; E35-A39 PolarHBondContact O-N 3.03Å; A39-F41 VanDerWaalsContact C-N 3.33Å; A39-F41 PolarHBondContact O-N 3.35Å; A39-M42 PolarHBondContact O-N 3.02Å; A39-K43 WeakPolarHBondContact O-CB 3.48Å; A39-K43 PolarHBondContact O-N 3.31Å; A39-C56 HydrophobicContact CB-CB 4.29Å; A39-C56 WeakPolarHBondContact O-CB 3.45Å; A39-V58 HydrophobicContact CB-CB 4.24Å; A39-V58 HydrophobicContact CB-CG2 3.8Å
40A98.8Very high97.9Very high42 Ų4271.9 Ų71.935%0.34734%0.339SS..Hα-helixtrans-62.9-38.3177.800000112.5K36 I38 K44K36-A40 VanDerWaalsContact O-CB 3.27Å; K36-A40 WeakPolarHBondContact O-CB 3.45Å; K36-A40 PolarHBondContact O-N 3.44Å; I38-A40 PolarHBondContact O-N 3.35Å; A40-K44 WeakPolarHBondContact O-CB 3.34Å; A40-K44 VanDerWaalsContact O-CG 3.28Å; A40-K44 WeakPolarHBondContact O-CG 3.35Å; A40-K44 PolarHBondContact O-N 3.03Å; A40-K44 VanDerWaalsContact O-N 3.12Å
41F98.8Very high97.9Very high31 Ų3169.9 Ų69.914%0.13634%0.336CS..Hα-helixtrans-66.4-49.3175.8-179.7-92.9000111.7I24 I27 A28 Y32 D37 I38 A39 K43 K44 E45I24-F41 HydrophobicContact CG2-CD1 4.13Å; I24-F41 HydrophobicContact CG2-CE1 3.89Å; I27-F41 HydrophobicContact CB-CE1 4.46Å; I27-F41 HydrophobicContact CG2-CE1 4.08Å; I27-F41 HydrophobicContact CG2-CZ 3.98Å; A28-F41 HydrophobicContact CB-CB 4.4Å; A28-F41 HydrophobicContact CB-CD1 3.55Å; A28-F41 HydrophobicContact CB-CE1 4.19Å; A28-F41 HydrophobicContact CB-CG 4.27Å; Y32-F41 HydrophobicContact CD2-CB 4.18Å; Y32-F41 HydrophobicContact CE2-CB 3.6Å; Y32-F41 AromaticContact CE2-CD2 3.67Å; Y32-F41 HydrophobicContact CE2-CD2 3.67Å; Y32-F41 HydrophobicContact CE2-CE2 4.49Å; Y32-F41 AromaticContact CE2-CG 3.69Å; Y32-F41 HydrophobicContact CE2-CG 3.69Å; D37-F41 WeakPolarHBondContact O-CB 3.46Å; D37-F41 PolarHBondContact O-N 2.92Å; I38-F41 PolarHBondContact O-N 3.02Å; A39-F41 VanDerWaalsContact C-N 3.33Å; A39-F41 PolarHBondContact O-N 3.35Å; F41-K43 PolarHBondContact O-N 3.24Å; F41-K44 PolarHBondContact O-N 2.82Å; F41-E45 HydrophobicContact CD1-CG 4.35Å; F41-E45 HydrophobicContact CE1-CG 3.91Å; F41-E45 HydrophobicContact CE2-CG 4.28Å; F41-E45 HydrophobicContact CZ-CG 3.87Å; F41-E45 PolarHBondContact O-N 2.86Å
42M98.8Very high97.8Very high0 Ų067 Ų670%033%0.331CS..Hα-helixtrans-58.5-47.2178.7-70.4-16663.800111.7A21 I24 C25 A28 I38 A39 K44 E45 F46 C56 F76 V83 L85A21-M42 WeakPolarHBondContact O-CE 3.21Å; I24-M42 HydrophobicContact CG2-CG 4.17Å; C25-M42 HydrophobicContact CB-CE 3.73Å; C25-M42 HydrophobicContact CB-SD 3.58Å; C25-M42 VanDerWaalsContact CB-SD 3.58Å; C25-M42 VanDerWaalsContact SG-SD 3.69Å; A28-M42 HydrophobicContact CB-CG 4.25Å; I38-M42 HydrophobicContact CG2-SD 4.49Å; I38-M42 WeakPolarHBondContact O-CG 3.44Å; I38-M42 PolarHBondContact O-N 3.26Å; A39-M42 PolarHBondContact O-N 3.02Å; M42-K44 PolarHBondContact O-N 2.94Å; M42-E45 PolarHBondContact O-N 3.29Å; M42-F46 WeakPolarHBondContact O-CB 3.18Å; M42-F46 PolarHBondContact O-N 2.92Å; M42-C56 HydrophobicContact CB-CB 4.36Å; M42-F76 HydrophobicContact CE-CZ 4.21Å; M42-V83 HydrophobicContact CE-CG1 3.81Å; M42-V83 HydrophobicContact SD-CG1 3.75Å; M42-L85 HydrophobicContact CE-CD2 4.1Å
43K98.7Very high97.7Very high73 Ų7366.7 Ų66.732%0.31734%0.338SS..Hα-helixtrans-53.5-51.5174.7-177.9-168.3-174.6-550111.6A39 F41 E45 F46 D47 W54 C56A39-K43 WeakPolarHBondContact O-CB 3.48Å; A39-K43 PolarHBondContact O-N 3.31Å; F41-K43 PolarHBondContact O-N 3.24Å; K43-E45 PolarHBondContact O-N 3.38Å; K43-F46 PolarHBondContact O-N 2.76Å; K43-D47 IonicContact NZ-OD1 2.82Å; K43-D47 IonicContact NZ-OD2 3.04Å; K43-D47 PolarHBondContact NZ-OD2 2.92Å; K43-D47 WeakPolarHBondContact O-CB 3.21Å; K43-D47 VanDerWaalsContact O-CG 3.31Å; K43-D47 PolarHBondContact O-N 2.95Å; K43-W54 WeakPolarHBondContact CE-O 3.43Å; K43-W54 VanDerWaalsContact CG-O 3.3Å; K43-W54 WeakPolarHBondContact CG-O 3.18Å; K43-W54 PolarHBondContact NZ-O 3.5Å; K43-C56 HydrophobicContact CB-CB 4.32Å
44K98.6Very high97.8Very high145 Ų14561 Ų6163%0.6330%0.299SS*.Hα-helixtrans-61.9-43.2-177.3-77.9175.6-179.9-179.70112.2A40 F41 M42 R48A40-K44 WeakPolarHBondContact O-CB 3.34Å; A40-K44 VanDerWaalsContact O-CG 3.28Å; A40-K44 WeakPolarHBondContact O-CG 3.35Å; A40-K44 PolarHBondContact O-N 3.03Å; A40-K44 VanDerWaalsContact O-N 3.12Å; F41-K44 PolarHBondContact O-N 2.82Å; M42-K44 PolarHBondContact O-N 2.94Å; K44-R48 WeakPolarHBondContact O-CB 3.36Å; K44-R48 PolarHBondContact O-N 3.31Å
45E98.7Very high97.9Very high49 Ų4959.8 Ų59.823%0.22929%0.292CS..Hα-helixtrans-67.3-38.6178.5-73.4-54.7130.900112.1I24 F41 M42 K43 R48 K49I24-E45 HydrophobicContact CD1-CB 3.98Å; I24-E45 HydrophobicContact CG1-CB 4.47Å; I24-E45 HydrophobicContact CG2-CB 3.86Å; I24-E45 HydrophobicContact CG2-CG 4.17Å; F41-E45 HydrophobicContact CD1-CG 4.35Å; F41-E45 HydrophobicContact CE1-CG 3.91Å; F41-E45 HydrophobicContact CE2-CG 4.28Å; F41-E45 HydrophobicContact CZ-CG 3.87Å; F41-E45 PolarHBondContact O-N 2.86Å; M42-E45 PolarHBondContact O-N 3.29Å; K43-E45 PolarHBondContact O-N 3.38Å; E45-R48 PolarHBondContact O-N 3.15Å; E45-R48 IonicContact OE1-NE 2.67Å; E45-R48 IonicContact OE2-CZ 3.62Å; E45-R48 IonicContact OE2-NE 3.99Å; E45-R48 PolarHBondContact OE2-NE 2.87Å; E45-R48 IonicContact OE2-NH2 2.74Å; E45-R48 PolarHBondContact OE2-NH2 2.88Å; E45-K49 WeakPolarHBondContact O-CB 3.44Å; E45-K49 PolarHBondContact O-N 2.82Å
46F98.5Very high97.9Very high0 Ų057.2 Ų57.20%028%0.282CS..Hα-helixtrans-70.6-40.8176.8-93.6-105.8000113M17 D20 A21 I24 M42 K43 R48 K49 Y50 W54 L85M17-F46 HydrophobicContact CG-CE1 3.93Å; D20-F46 HydrophobicContact CB-CZ 4.46Å; A21-F46 VanDerWaalsContact CA-CZ 3.44Å; A21-F46 HydrophobicContact CB-CE1 4.45Å; A21-F46 HydrophobicContact CB-CE2 4.13Å; A21-F46 HydrophobicContact CB-CZ 3.58Å; I24-F46 HydrophobicContact CB-CE2 4.39Å; I24-F46 HydrophobicContact CD1-CD2 3.9Å; I24-F46 HydrophobicContact CD1-CE2 3.54Å; I24-F46 HydrophobicContact CD1-CZ 4.49Å; M42-F46 WeakPolarHBondContact O-CB 3.18Å; M42-F46 PolarHBondContact O-N 2.92Å; K43-F46 PolarHBondContact O-N 2.76Å; F46-R48 PolarHBondContact O-N 3.47Å; F46-K49 PolarHBondContact O-N 3.48Å; F46-Y50 HydrophobicContact CB-CD2 4.48Å; F46-Y50 AromaticContact CD1-CD2 3.43Å; F46-Y50 HydrophobicContact CD1-CD2 3.43Å; F46-Y50 VanDerWaalsContact CD1-CD2 3.43Å; F46-Y50 AromaticContact CD1-CE2 3.7Å; F46-Y50 HydrophobicContact CD1-CE2 3.7Å; F46-Y50 AromaticContact CE1-CD2 3.69Å; F46-Y50 HydrophobicContact CE1-CD2 3.69Å; F46-Y50 AromaticContact CE1-CE2 3.46Å; F46-Y50 HydrophobicContact CE1-CE2 3.46Å; F46-Y50 VanDerWaalsContact CE1-CE2 3.46Å; F46-Y50 HydrophobicContact CG-CD2 4.05Å; F46-Y50 HydrophobicContact CG-CE2 4.32Å; F46-Y50 HydrophobicContact CZ-CD2 4.46Å; F46-Y50 AromaticContact CZ-CE2 3.89Å; F46-Y50 HydrophobicContact CZ-CE2 3.89Å; F46-Y50 PolarHBondContact O-N 3.36Å; F46-W54 HydrophobicContact CB-CB 4.09Å; F46-W54 HydrophobicContact CB-CD2 3.83Å; F46-W54 HydrophobicContact CB-CE3 4.4Å; F46-W54 HydrophobicContact CB-CG 3.66Å; F46-W54 AromaticContact CD1-CD2 3.8Å; F46-W54 HydrophobicContact CD1-CD2 3.8Å; F46-W54 AromaticContact CD1-CE2 3.77Å; F46-W54 AromaticContact CD1-CE3 3.82Å; F46-W54 HydrophobicContact CD1-CE3 3.82Å; F46-W54 AromaticContact CD1-CH2 3.77Å; F46-W54 HydrophobicContact CD1-CH2 3.77Å; F46-W54 AromaticContact CD1-CZ2 3.75Å; F46-W54 HydrophobicContact CD1-CZ2 3.75Å; F46-W54 AromaticContact CD1-CZ3 3.82Å; F46-W54 HydrophobicContact CD1-CZ3 3.82Å; F46-W54 HydrophobicContact CE1-CH2 4.1Å; F46-W54 HydrophobicContact CE1-CZ2 4.38Å; F46-W54 HydrophobicContact CE1-CZ3 4.24Å; F46-W54 HydrophobicContact CG-CD2 4.26Å; F46-W54 HydrophobicContact CG-CE3 4.45Å; F46-W54 PolarHBondContact O-NE1 2.98Å; F46-L85 HydrophobicContact CD1-CD2 3.61Å; F46-L85 HydrophobicContact CD1-CG 4.34Å; F46-L85 HydrophobicContact CD2-CD2 3.69Å; F46-L85 HydrophobicContact CE1-CD2 3.48Å; F46-L85 VanDerWaalsContact CE1-CD2 3.48Å; F46-L85 HydrophobicContact CE2-CD2 3.56Å; F46-L85 HydrophobicContact CG-CD1 4.3Å; F46-L85 HydrophobicContact CG-CD2 3.73Å; F46-L85 HydrophobicContact CG-CG 4.46Å; F46-L85 HydrophobicContact CZ-CD2 3.47Å; F46-L85 VanDerWaalsContact CZ-CD2 3.47Å
47D97.6Very high97.9Very high26 Ų2654 Ų5414%0.13927%0.27CS..Hα-helixtrans-56.9-41.5170.9-77.9-20.8000111.1K43 L51 P52 W54K43-D47 IonicContact NZ-OD1 2.82Å; K43-D47 IonicContact NZ-OD2 3.04Å; K43-D47 PolarHBondContact NZ-OD2 2.92Å; K43-D47 WeakPolarHBondContact O-CB 3.21Å; K43-D47 VanDerWaalsContact O-CG 3.31Å; K43-D47 PolarHBondContact O-N 2.95Å; D47-L51 CarbonylContact O-C 3.57Å; D47-L51 WeakPolarHBondContact O-CA 3.25Å; D47-L51 PolarHBondContact O-N 2.72Å; D47-P52 HydrophobicContact CB-CG 4.14Å; D47-P52 WeakPolarHBondContact OD1-CA 3.46Å; D47-W54 WeakPolarHBondContact OD1-CB 3.43Å; D47-W54 PolarHBondContact OD1-N 3.46Å
48R98.2Very high97.9Very high169 Ų16952.3 Ų52.364%0.63826%0.261SS*.Hα-helixtrans-69.1-42.5178.8-171.5-171.565.773.11.6112.3K44 E45 F46K44-R48 WeakPolarHBondContact O-CB 3.36Å; K44-R48 PolarHBondContact O-N 3.31Å; E45-R48 PolarHBondContact O-N 3.15Å; E45-R48 IonicContact OE1-NE 2.67Å; E45-R48 IonicContact OE2-CZ 3.62Å; E45-R48 IonicContact OE2-NE 3.99Å; E45-R48 PolarHBondContact OE2-NE 2.87Å; E45-R48 IonicContact OE2-NH2 2.74Å; E45-R48 PolarHBondContact OE2-NH2 2.88Å; F46-R48 PolarHBondContact O-N 3.47Å
49K98.3Very high97.8Very high90 Ų9052.5 Ų52.539%0.39126%0.264SS..Hα-helixtrans-84.6-34.7-173.5-170.2169.3-179.3173.60113.3D20 E45 F46D20-K49 IonicContact OD1-NZ 3.94Å; D20-K49 PolarHBondContact OD1-NZ 3.18Å; D20-K49 WeakPolarHBondContact OD2-CE 3.36Å; D20-K49 IonicContact OD2-NZ 2.61Å; D20-K49 PolarHBondContact OD2-NZ 3.09Å; E45-K49 WeakPolarHBondContact O-CB 3.44Å; E45-K49 PolarHBondContact O-N 2.82Å; F46-K49 PolarHBondContact O-N 3.48Å
50Y97.2Very high97.6Very high40 Ų4055 Ų5516%0.15728%0.28CS..Hα-helixtrans-126.115.8-170.5-54.5-70.2000114.7M17 D20 F46 W54 R87M17-Y50 HydrophobicContact CE-CD1 3.45Å; M17-Y50 VanDerWaalsContact CE-CD1 3.45Å; M17-Y50 HydrophobicContact CE-CD2 4.36Å; M17-Y50 HydrophobicContact CE-CE1 3.62Å; M17-Y50 HydrophobicContact CE-CG 3.82Å; M17-Y50 HydrophobicContact CG-CD2 4.49Å; M17-Y50 HydrophobicContact CG-CE1 4.24Å; M17-Y50 HydrophobicContact CG-CE2 3.97Å; D20-Y50 VanDerWaalsContact CB-OH 3.25Å; D20-Y50 WeakPolarHBondContact CB-OH 3.49Å; D20-Y50 VanDerWaalsContact CG-OH 3.24Å; D20-Y50 PolarHBondContact OD2-OH 3.18Å; F46-Y50 HydrophobicContact CB-CD2 4.48Å; F46-Y50 AromaticContact CD1-CD2 3.43Å; F46-Y50 HydrophobicContact CD1-CD2 3.43Å; F46-Y50 VanDerWaalsContact CD1-CD2 3.43Å; F46-Y50 AromaticContact CD1-CE2 3.7Å; F46-Y50 HydrophobicContact CD1-CE2 3.7Å; F46-Y50 AromaticContact CE1-CD2 3.69Å; F46-Y50 HydrophobicContact CE1-CD2 3.69Å; F46-Y50 AromaticContact CE1-CE2 3.46Å; F46-Y50 HydrophobicContact CE1-CE2 3.46Å; F46-Y50 VanDerWaalsContact CE1-CE2 3.46Å; F46-Y50 HydrophobicContact CG-CD2 4.05Å; F46-Y50 HydrophobicContact CG-CE2 4.32Å; F46-Y50 HydrophobicContact CZ-CD2 4.46Å; F46-Y50 AromaticContact CZ-CE2 3.89Å; F46-Y50 HydrophobicContact CZ-CE2 3.89Å; F46-Y50 PolarHBondContact O-N 3.36Å; Y50-W54 HydrophobicContact CD2-CZ2 4.27Å; Y50-W54 HydrophobicContact CG-CZ2 4.3Å; Y50-R87 PolarHBondContact O-NH1 3.31Å
51L95.1Very high97.2Very high120 Ų12061.2 Ų61.263%0.62830%0.302SS*.  trans68.4145.3-177-51.4170.3000113.7D47 W54D47-L51 CarbonylContact O-C 3.57Å; D47-L51 WeakPolarHBondContact O-CA 3.25Å; D47-L51 PolarHBondContact O-N 2.72Å; L51-W54 VanDerWaalsContact O-CD1 3.25Å; L51-W54 PolarHBondContact O-NE1 2.98Å; L51-W54 VanDerWaalsContact O-NE1 3.15Å
52P95.3Very high97.1Very high73 Ų7363 Ų6347%0.47431%0.31SS..SBendtrans-64157.7176.9-20.331.8000114.2D47 R87D47-P52 HydrophobicContact CB-CG 4.14Å; D47-P52 WeakPolarHBondContact OD1-CA 3.46Å; P52-R87 PolarHBondContact O-NE 3.41Å; P52-R87 PolarHBondContact O-NH2 2.93Å
53S94.2Very high96.9Very high60 Ų6066.6 Ų66.642%0.4235%0.347SS..  cis-119.8107.110.6-60.60000112H55 R87S53-H55 PolarHBondContact O-CD2 3.43Å; S53-R87 WeakPolarHBondContact O-CG 3.49Å
54W97.8Very high96.6Very high0 Ų066 Ų660%035%0.349CS..EExtended strand (participates in β ladder)trans-81.6153.9173.3-69.583.9000111.5M13 M17 K43 F46 D47 Y50 L51 H72 L85 F86 R87M13-W54 HydrophobicContact CE-CH2 4.07Å; M13-W54 HydrophobicContact CE-CZ3 4.07Å; M17-W54 HydrophobicContact CE-CZ2 4.47Å; M17-W54 HydrophobicContact SD-CH2 3.66Å; M17-W54 HydrophobicContact SD-CZ2 4.04Å; K43-W54 WeakPolarHBondContact CE-O 3.43Å; K43-W54 VanDerWaalsContact CG-O 3.3Å; K43-W54 WeakPolarHBondContact CG-O 3.18Å; K43-W54 PolarHBondContact NZ-O 3.5Å; F46-W54 HydrophobicContact CB-CB 4.09Å; F46-W54 HydrophobicContact CB-CD2 3.83Å; F46-W54 HydrophobicContact CB-CE3 4.4Å; F46-W54 HydrophobicContact CB-CG 3.66Å; F46-W54 AromaticContact CD1-CD2 3.8Å; F46-W54 HydrophobicContact CD1-CD2 3.8Å; F46-W54 AromaticContact CD1-CE2 3.77Å; F46-W54 AromaticContact CD1-CE3 3.82Å; F46-W54 HydrophobicContact CD1-CE3 3.82Å; F46-W54 AromaticContact CD1-CH2 3.77Å; F46-W54 HydrophobicContact CD1-CH2 3.77Å; F46-W54 AromaticContact CD1-CZ2 3.75Å; F46-W54 HydrophobicContact CD1-CZ2 3.75Å; F46-W54 AromaticContact CD1-CZ3 3.82Å; F46-W54 HydrophobicContact CD1-CZ3 3.82Å; F46-W54 HydrophobicContact CE1-CH2 4.1Å; F46-W54 HydrophobicContact CE1-CZ2 4.38Å; F46-W54 HydrophobicContact CE1-CZ3 4.24Å; F46-W54 HydrophobicContact CG-CD2 4.26Å; F46-W54 HydrophobicContact CG-CE3 4.45Å; F46-W54 PolarHBondContact O-NE1 2.98Å; D47-W54 WeakPolarHBondContact OD1-CB 3.43Å; D47-W54 PolarHBondContact OD1-N 3.46Å; Y50-W54 HydrophobicContact CD2-CZ2 4.27Å; Y50-W54 HydrophobicContact CG-CZ2 4.3Å; L51-W54 VanDerWaalsContact O-CD1 3.25Å; L51-W54 PolarHBondContact O-NE1 2.98Å; L51-W54 VanDerWaalsContact O-NE1 3.15Å; W54-H72 HydrophobicContact CH2-CB 3.92Å; W54-H72 AromaticContact CH2-CD2 3.93Å; W54-H72 HydrophobicContact CZ2-CB 4.43Å; W54-H72 AromaticContact CZ2-CD2 3.66Å; W54-H72 HydrophobicContact CZ3-CB 4.33Å; W54-L85 HydrophobicContact CE3-CD1 4.03Å; W54-L85 HydrophobicContact CE3-CG 3.85Å; W54-L85 HydrophobicContact CZ3-CD2 4.49Å; W54-L85 HydrophobicContact CZ3-CG 4.07Å; W54-F86 CarbonylContact C-O 3.6Å; W54-F86 WeakPolarHBondContact CA-O 3.42Å; W54-R87 HydrophobicContact CD2-CB 4.22Å; W54-R87 HydrophobicContact CE3-CB 4.29Å
55H98.2Very high96.4Very high69 Ų6970.2 Ų70.232%0.31936%0.363SS..EExtended strand (participates in β ladder)trans-130.1138.9175.3-58.5-97.6000107.7S53 L85 F86 T88S53-H55 PolarHBondContact O-CD2 3.43Å; H55-L85 WeakPolarHBondContact O-CA 3.13Å; H55-F86 HydrophobicContact CB-CD1 4.02Å; H55-F86 HydrophobicContact CB-CD2 4.3Å; H55-F86 HydrophobicContact CB-CE1 3.61Å; H55-F86 HydrophobicContact CB-CE2 3.92Å; H55-F86 HydrophobicContact CB-CG 4.36Å; H55-F86 HydrophobicContact CB-CZ 3.56Å; H55-F86 PolarHBondContact N-O 3.2Å; H55-F86 PolarHBondContact O-N 3.32Å; H55-T88 PolarHBondContact NE2-OG1 3.27Å
56C98.6Very high96.2Very high22 Ų2270.5 Ų70.515%0.14937%0.365CS..EExtended strand (participates in β ladder)trans-133.7133.8179.1-170.80000109.7A39 M42 K43 V84 L85A39-C56 HydrophobicContact CB-CB 4.29Å; A39-C56 WeakPolarHBondContact O-CB 3.45Å; M42-C56 HydrophobicContact CB-CB 4.36Å; K43-C56 HydrophobicContact CB-CB 4.32Å; C56-V84 CarbonylContact C-O 3.54Å; C56-V84 WeakPolarHBondContact CA-O 3.43Å; C56-L85 HydrophobicContact CB-CD1 3.81Å
57I98.4Very high95.9Very high59 Ų5975.6 Ų75.630%0.30340%0.401SS..EExtended strand (participates in β ladder)trans-119.2129.5173.4-55171.1000106.2F62 T64 V83 V84 F86I57-F62 HydrophobicContact CG2-CD2 4.2Å; I57-F62 HydrophobicContact CG2-CE1 4.3Å; I57-F62 HydrophobicContact CG2-CE2 3.95Å; I57-F62 HydrophobicContact CG2-CG 4.49Å; I57-F62 HydrophobicContact CG2-CZ 4Å; I57-T64 HydrophobicContact CD1-CG2 4.02Å; I57-V83 WeakPolarHBondContact O-CA 3.38Å; I57-V84 HydrophobicContact CB-CB 4.29Å; I57-V84 PolarHBondContact N-O 2.9Å; I57-V84 PolarHBondContact O-N 3.11Å; I57-F86 HydrophobicContact CD1-CE1 4.18Å; I57-F86 HydrophobicContact CG1-CE1 4.45Å
58V98.5Very high95.8Very high14 Ų1477.8 Ų77.89%0.08541%0.41CS..EExtended strand (participates in β ladder)trans-127.4134.2173.7-179.80000107.2E35 I38 A39 H81 A82 V83E35-V58 HydrophobicContact CB-CB 4.27Å; E35-V58 HydrophobicContact CB-CG1 4.1Å; E35-V58 HydrophobicContact CG-CG1 4.21Å; I38-V58 HydrophobicContact CB-CG1 4.47Å; I38-V58 HydrophobicContact CB-CG2 4.41Å; I38-V58 HydrophobicContact CG2-CG1 4.24Å; I38-V58 HydrophobicContact CG2-CG2 3.95Å; A39-V58 HydrophobicContact CB-CB 4.24Å; A39-V58 HydrophobicContact CB-CG2 3.8Å; V58-H81 HydrophobicContact CG1-CB 4.12Å; V58-A82 WeakPolarHBondContact CA-O 3.3Å; V58-V83 HydrophobicContact CG2-CG1 4.35Å; V58-V83 HydrophobicContact CG2-CG2 4.28Å
59G97.7Very high95.6Very high6 Ų672.7 Ų72.76%0.06239%0.394CS..EExtended strand (participates in β ladder)trans-171.3163.2-178.300000112.1E35 A82E35-G59 VanDerWaalsContact OE1-CA 3.26Å; E35-G59 WeakPolarHBondContact OE1-CA 3.37Å; G59-A82 PolarHBondContact N-O 2.6Å; G59-A82 WeakPolarHBondContact O-CA 3.46Å; G59-A82 WeakPolarHBondContact O-CB 3.41Å; G59-A82 PolarHBondContact O-N 2.67Å
60S93.6Very high95.5Very high66 Ų6671.8 Ų71.846%0.46240%0.404SS..SBendtrans-86.9-30.9169.2560000113E35E35-S60 PolarHBondContact OE1-N 3.18Å
61H91.2Very high95.5Very high173 Ų17376.6 Ų76.680%0.80143%0.425SS*.SBendtrans-146.4107.8-174.6-60.183.6000111.5
62F95.6Very high95.6Very high68 Ų6872.8 Ų72.830%0.29840%0.404SS..  trans-160.7158.2174.358.8-89.1000111I57 T64 A82 V84I57-F62 HydrophobicContact CG2-CD2 4.2Å; I57-F62 HydrophobicContact CG2-CE1 4.3Å; I57-F62 HydrophobicContact CG2-CE2 3.95Å; I57-F62 HydrophobicContact CG2-CG 4.49Å; I57-F62 HydrophobicContact CG2-CZ 4Å; F62-T64 HydrophobicContact CD2-CG2 3.56Å; F62-T64 HydrophobicContact CE2-CG2 3.6Å; F62-A82 HydrophobicContact CE1-CB 3.54Å; F62-A82 HydrophobicContact CZ-CB 3.68Å; F62-V84 HydrophobicContact CE2-CG2 3.68Å; F62-V84 HydrophobicContact CZ-CG2 4.02Å
63G94.4Very high95.7Very high76 Ų7670.2 Ų70.278%0.78439%0.385SS*.  trans-108.3151.2164.100000109.9
64T93.1Very high95.9Very high60 Ų6067.3 Ų67.337%0.36837%0.365SS..  trans-127.1144173.965.40000110.5I57 F62 V84I57-T64 HydrophobicContact CD1-CG2 4.02Å; F62-T64 HydrophobicContact CD2-CG2 3.56Å; F62-T64 HydrophobicContact CE2-CG2 3.6Å; T64-V84 HydrophobicContact CG2-CG2 4.15Å
65Y95Very high96Very high235 Ų23570.1 Ų70.192%0.92238%0.376SS*.  trans-136.991168-164.7-88000106.6
66I92.7Very high96Very high54 Ų5466.9 Ų66.928%0.27736%0.361SS..  trans-126.8145.8-169.859.5166.5000110.8F73 V84 F86I66-F73 HydrophobicContact CD1-CD2 4.14Å; I66-F73 HydrophobicContact CD1-CE2 3.92Å; I66-F73 HydrophobicContact CG1-CE2 4.48Å; I66-V84 HydrophobicContact CD1-CG1 3.87Å; I66-F86 HydrophobicContact CB-CE2 4.34Å; I66-F86 HydrophobicContact CB-CZ 4.41Å; I66-F86 HydrophobicContact CD1-CB 4.18Å; I66-F86 HydrophobicContact CD1-CD1 3.42Å; I66-F86 VanDerWaalsContact CD1-CD1 3.42Å; I66-F86 HydrophobicContact CD1-CD2 3.67Å; I66-F86 HydrophobicContact CD1-CE1 3.52Å; I66-F86 HydrophobicContact CD1-CE2 3.76Å; I66-F86 HydrophobicContact CD1-CG 3.49Å; I66-F86 VanDerWaalsContact CD1-CG 3.49Å; I66-F86 HydrophobicContact CD1-CZ 3.68Å; I66-F86 HydrophobicContact CG2-CZ 4.16Å
67S93.8Very high95.9Very high108 Ų10868.5 Ų68.576%0.75537%0.366SS*.  trans-98.1137164.5-56.30000108.6
68H94.3Very high95.8Very high71 Ų7165.7 Ų65.733%0.32935%0.352SS..  trans-134.3161.8-179.360.677000110.3D12 F73 F86 R87D12-H68 IonicContact OD2-CE1 3.31Å; H68-F73 HydrophobicContact CB-CB 4.34Å; H68-F73 AromaticContact CD2-CD2 3.45Å; H68-F73 VanDerWaalsContact CD2-CD2 3.45Å; H68-F73 WeakPolarHBondContact CD2-CD2 2.93Å; H68-F73 AromaticContact CD2-CG 3.56Å; H68-F73 VanDerWaalsContact CE1-CB 3.45Å; H68-F73 WeakPolarHBondContact CE1-CB 3.14Å; H68-F73 AromaticContact CE1-CG 3.94Å; H68-F73 WeakPolarHBondContact ND1-CB 3.36Å; H68-F73 AromaticContact NE2-CD1 3.97Å; H68-F73 AromaticContact NE2-CD2 3.85Å; H68-F73 AromaticContact NE2-CG 3.5Å; H68-F86 HydrophobicContact CB-CB 4.05Å; H68-F86 HydrophobicContact CB-CD2 4.11Å; H68-R87 WeakPolarHBondContact CA-O 3.4Å; H68-R87 WeakPolarHBondContact CB-O 3.36Å
69E94.9Very high95.4Very high62 Ų6269.6 Ų69.629%0.2937%0.372SS..  trans-65.3145.3168.7-63.4-175163.400110.1H72 R87 G89E69-H72 HydrophobicContact CB-CB 4.45Å; E69-H72 PolarHBondContact O-N 2.74Å; E69-R87 PolarHBondContact N-O 3.13Å; E69-R87 WeakPolarHBondContact OE2-CD 3.07Å; E69-R87 WeakPolarHBondContact OE2-CG 3.49Å; E69-R87 IonicContact OE2-NE 3.38Å; E69-R87 PolarHBondContact OE2-NE 2.82Å; E69-G89 VanDerWaalsContact CG-N 3.34Å; E69-G89 WeakPolarHBondContact OE1-CA 3.49Å; E69-G89 PolarHBondContact OE1-N 3.19Å; E69-G89 VanDerWaalsContact OE1-N 3.1Å
70A95.2Very high95.1Very high72 Ų7275 Ų7560%0.59540%0.4SS*.THydrogen-bonded Turntrans-59.5144.6173.900000110.5D12 H72D12-A70 WeakPolarHBondContact OD2-CA 3.5Å; A70-H72 PolarHBondContact O-N 2.93Å; A70-H72 PolarHBondContact O-ND1 2.99Å
71K97Very high95.2Very high140 Ų14073.5 Ų73.561%0.60939%0.385SS*.THydrogen-bonded Turntrans64.915.6179.9-51.7-177.3178.1-178.50115.7D12 M13D12-K71 CarbonylContact O-C 2.85Å; D12-K71 WeakPolarHBondContact O-CA 3.31Å; D12-K71 WeakPolarHBondContact OD1-CA 3.25Å; D12-K71 PolarHBondContact OD1-N 2.99Å; D12-K71 PolarHBondContact OD2-N 3.17Å; M13-K71 WeakPolarHBondContact CB-O 3.5Å
72H97.8Very high95.5Very high41 Ų4165.4 Ų65.419%0.1935%0.348CS..  trans-134.846.5-179.7-59.585000112.4D12 W54 E69 A70 F86 R87D12-H72 PolarHBondContact O-N 3Å; W54-H72 HydrophobicContact CH2-CB 3.92Å; W54-H72 AromaticContact CH2-CD2 3.93Å; W54-H72 HydrophobicContact CZ2-CB 4.43Å; W54-H72 AromaticContact CZ2-CD2 3.66Å; W54-H72 HydrophobicContact CZ3-CB 4.33Å; E69-H72 HydrophobicContact CB-CB 4.45Å; E69-H72 PolarHBondContact O-N 2.74Å; A70-H72 PolarHBondContact O-N 2.93Å; A70-H72 PolarHBondContact O-ND1 2.99Å; H72-F86 CarbonylContact O-C 3.56Å; H72-F86 WeakPolarHBondContact O-CA 3.4Å; H72-R87 HydrophobicContact CB-CB 3.5Å; H72-R87 VanDerWaalsContact CB-CB 3.5Å; H72-R87 PolarHBondContact O-N 3.47Å
73F98.2Very high95.6Very high18 Ų1862.1 Ų62.18%0.07933%0.334CS..EExtended strand (participates in β ladder)trans-140.7136.6176.7169-87.3000113.1D12 I66 H68 V84 F86D12-F73 CarbonylContact C-O 3.51Å; D12-F73 HydrophobicContact CB-CB 4.39Å; D12-F73 PolarHBondContact N-O 2.89Å; D12-F73 PolarHBondContact O-N 3.1Å; I66-F73 HydrophobicContact CD1-CD2 4.14Å; I66-F73 HydrophobicContact CD1-CE2 3.92Å; I66-F73 HydrophobicContact CG1-CE2 4.48Å; H68-F73 HydrophobicContact CB-CB 4.34Å; H68-F73 AromaticContact CD2-CD2 3.45Å; H68-F73 VanDerWaalsContact CD2-CD2 3.45Å; H68-F73 WeakPolarHBondContact CD2-CD2 2.93Å; H68-F73 AromaticContact CD2-CG 3.56Å; H68-F73 VanDerWaalsContact CE1-CB 3.45Å; H68-F73 WeakPolarHBondContact CE1-CB 3.14Å; H68-F73 AromaticContact CE1-CG 3.94Å; H68-F73 WeakPolarHBondContact ND1-CB 3.36Å; H68-F73 AromaticContact NE2-CD1 3.97Å; H68-F73 AromaticContact NE2-CD2 3.85Å; H68-F73 AromaticContact NE2-CG 3.5Å; F73-V84 HydrophobicContact CE2-CG1 3.81Å; F73-F86 HydrophobicContact CB-CB 4.4Å; F73-F86 HydrophobicContact CD2-CB 3.84Å
74I98.6Very high95.8Very high0 Ų058.6 Ų58.60%030%0.297CS..EExtended strand (participates in β ladder)trans-145.7138.7169.6-166.5176.9000110.9I8 V11 M13 Q18 A21 F76 L85I8-I74 HydrophobicContact CD1-CD1 4.13Å; V11-I74 HydrophobicContact CB-CG1 4.31Å; V11-I74 HydrophobicContact CG2-CB 4.21Å; V11-I74 HydrophobicContact CG2-CD1 4.27Å; V11-I74 HydrophobicContact CG2-CG1 3.9Å; M13-I74 HydrophobicContact CE-CB 3.73Å; 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 4.23Å; M13-I74 HydrophobicContact SD-CG2 3.9Å; Q18-I74 HydrophobicContact CB-CD1 3.89Å; Q18-I74 HydrophobicContact CG-CD1 4.02Å; A21-I74 HydrophobicContact CB-CD1 4.31Å; A21-I74 HydrophobicContact CB-CG2 4.11Å; I74-F76 HydrophobicContact CD1-CD1 3.89Å; I74-F76 HydrophobicContact CD1-CE1 4.34Å; I74-F76 HydrophobicContact CG1-CD1 3.92Å; I74-F76 HydrophobicContact CG2-CD1 4.21Å; I74-F76 HydrophobicContact CG2-CE1 4.17Å; I74-L85 HydrophobicContact CG2-CB 3.86Å; I74-L85 HydrophobicContact CG2-CD2 4.32Å; I74-L85 PolarHBondContact N-O 2.97Å; I74-L85 PolarHBondContact O-N 3.41Å
75Y98.4Very high96.1Very high59 Ų5955.7 Ų55.723%0.23128%0.279CS..EExtended strand (participates in β ladder)trans-125120.8168.9171.9-144.7000109.4K9 S10 F77 A82 V83 V84K9-Y75 HydrophobicContact CB-CD1 3.45Å; K9-Y75 VanDerWaalsContact CB-CD1 3.45Å; K9-Y75 HydrophobicContact CB-CE1 3.64Å; K9-Y75 HydrophobicContact CB-CG 4.01Å; K9-Y75 HydrophobicContact CG-CD1 4.18Å; K9-Y75 HydrophobicContact CG-CE1 3.92Å; K9-Y75 PolarHBondContact N-O 2.9Å; S10-Y75 PolarHBondContact N-O 2.83Å; S10-Y75 VanDerWaalsContact N-O 3.17Å; S10-Y75 PolarHBondContact O-N 2.94Å; Y75-F77 HydrophobicContact CE2-CD2 4.46Å; Y75-F77 HydrophobicContact CE2-CE2 4.04Å; Y75-F77 AromaticContact CZ-CE2 3.72Å; Y75-F77 WeakPolarHBondContact OH-CE2 3.45Å; Y75-F77 WeakPolarHBondContact OH-CZ 3.45Å; Y75-A82 HydrophobicContact CE2-CB 3.97Å; Y75-V83 WeakPolarHBondContact CA-O 3.25Å; Y75-V83 WeakPolarHBondContact CD2-O 3.43Å; Y75-V84 HydrophobicContact CD2-CG2 3.53Å; Y75-V84 HydrophobicContact CE2-CG2 4.15Å; Y75-V84 HydrophobicContact CG-CG2 3.98Å
76F98.1Very high96.2Very high0 Ų045.3 Ų45.30%024%0.239CC..EExtended strand (participates in β ladder)trans-146.3164.3179.266.5-81.5000112.3A6 I7 I8 A21 V22 C25 M42 I74 L78 V83A6-F76 HydrophobicContact CB-CD2 4.38Å; I7-F76 CarbonylContact O-C 3.42Å; I7-F76 VanDerWaalsContact O-CA 3.25Å; I7-F76 WeakPolarHBondContact O-CA 3.44Å; I7-F76 WeakPolarHBondContact O-CB 3.5Å; I8-F76 HydrophobicContact CD1-CB 3.58Å; I8-F76 HydrophobicContact CD1-CG 4.2Å; A21-F76 HydrophobicContact CB-CE1 4.12Å; A21-F76 HydrophobicContact CB-CZ 4.47Å; V22-F76 HydrophobicContact CG2-CD2 4.2Å; V22-F76 HydrophobicContact CG2-CE2 4.07Å; V22-F76 HydrophobicContact CG2-CZ 4.38Å; C25-F76 HydrophobicContact CB-CE2 4.06Å; C25-F76 HydrophobicContact CB-CZ 3.84Å; M42-F76 HydrophobicContact CE-CZ 4.21Å; I74-F76 HydrophobicContact CD1-CD1 3.89Å; I74-F76 HydrophobicContact CD1-CE1 4.34Å; I74-F76 HydrophobicContact CG1-CD1 3.92Å; I74-F76 HydrophobicContact CG2-CD1 4.21Å; I74-F76 HydrophobicContact CG2-CE1 4.17Å; F76-L78 HydrophobicContact CD2-CB 4.27Å; F76-L78 HydrophobicContact CE2-CB 4.03Å; F76-V83 HydrophobicContact CD1-CB 4.26Å; F76-V83 HydrophobicContact CE1-CB 3.9Å; F76-V83 HydrophobicContact CE1-CG1 3.83Å; F76-V83 HydrophobicContact CE2-CB 4.21Å; F76-V83 HydrophobicContact CE2-CG2 4.25Å; F76-V83 HydrophobicContact CZ-CB 3.87Å; F76-V83 HydrophobicContact CZ-CG1 3.9Å; F76-V83 HydrophobicContact CZ-CG2 4.24Å; F76-V83 PolarHBondContact N-O 2.96Å; F76-V83 PolarHBondContact O-N 2.95Å
77F97.1Very high96.4Very high57 Ų5744.9 Ų44.925%0.2523%0.234CC..EExtended strand (participates in β ladder)trans-104.3139.6166.3-74.3-100.7000110.1A6 I7 K9 Y75 H81 A82A6-F77 CarbonylContact C-O 3.43Å; A6-F77 VanDerWaalsContact CA-O 3.31Å; A6-F77 WeakPolarHBondContact CA-O 3.36Å; I7-F77 HydrophobicContact CB-CB 4.31Å; I7-F77 PolarHBondContact N-O 3.17Å; I7-F77 PolarHBondContact O-N 2.83Å; K9-F77 HydrophobicContact CD-CD2 4.32Å; K9-F77 HydrophobicContact CD-CE2 4.35Å; K9-F77 HydrophobicContact CG-CD2 3.76Å; K9-F77 HydrophobicContact CG-CE2 3.87Å; Y75-F77 HydrophobicContact CE2-CD2 4.46Å; Y75-F77 HydrophobicContact CE2-CE2 4.04Å; Y75-F77 AromaticContact CZ-CE2 3.72Å; Y75-F77 WeakPolarHBondContact OH-CE2 3.45Å; Y75-F77 WeakPolarHBondContact OH-CZ 3.45Å; F77-H81 CarbonylContact C-O 3.55Å; F77-H81 VanDerWaalsContact CA-O 3.3Å; F77-H81 WeakPolarHBondContact CA-O 3.47Å; F77-A82 HydrophobicContact CD1-CB 4.03Å; F77-A82 HydrophobicContact CE1-CB 3.63Å; F77-A82 HydrophobicContact CE2-CB 4.42Å; F77-A82 HydrophobicContact CZ-CB 3.85Å
78L96.2Very high96.4Very high0 Ų041.8 Ų41.80%021%0.211CC..EExtended strand (participates in β ladder)trans-131.8112.6166.7-16763.6000108.9L4 A6 V22 C25 A26 I29 F76 N80 H81L4-L78 HydrophobicContact CB-CD1 3.65Å; L4-L78 HydrophobicContact CB-CG 4.13Å; L4-L78 HydrophobicContact CD1-CD2 4.37Å; A6-L78 HydrophobicContact CB-CD1 4.05Å; V22-L78 HydrophobicContact CG1-CD1 4.42Å; C25-L78 HydrophobicContact CB-CD2 3.9Å; A26-L78 HydrophobicContact CB-CD2 3.98Å; I29-L78 HydrophobicContact CD1-CB 4.17Å; I29-L78 HydrophobicContact CD1-CD2 4Å; I29-L78 HydrophobicContact CD1-CG 4.2Å; F76-L78 HydrophobicContact CD2-CB 4.27Å; F76-L78 HydrophobicContact CE2-CB 4.03Å; L78-N80 PolarHBondContact O-N 3.2Å; L78-H81 PolarHBondContact N-O 2.82Å; L78-H81 PolarHBondContact O-N 2.81Å; L78-H81 VanDerWaalsContact O-N 3.12Å
79D90.3Very high95.8Very high96 Ų9639.8 Ų39.851%0.51321%0.209SC..THydrogen-bonded Turntrans54.4-122.5-167.6-169.141.2000110.6L4L4-D79 HydrophobicContact CD2-CB 4.04Å
80N90.7Very high94.5Very high120 Ų12044.2 Ų44.264%0.64223%0.233SC*.THydrogen-bonded Turntrans-92.79.9-179.9-61.7-47000114.3L78L78-N80 PolarHBondContact O-N 3.2Å
81H95.8Very high92.6Very high33 Ų3348.7 Ų48.715%0.15325%0.245CC..EExtended strand (participates in β ladder)trans-107.4120.1-177.1-59.988.7000111I29 V58 F77 L78 V83I29-H81 HydrophobicContact CD1-CB 4.21Å; V58-H81 HydrophobicContact CG1-CB 4.12Å; F77-H81 CarbonylContact C-O 3.55Å; F77-H81 VanDerWaalsContact CA-O 3.3Å; F77-H81 WeakPolarHBondContact CA-O 3.47Å; L78-H81 PolarHBondContact N-O 2.82Å; L78-H81 PolarHBondContact O-N 2.81Å; L78-H81 VanDerWaalsContact O-N 3.12Å; H81-V83 HydrophobicContact CB-CG2 4.43Å
82A97.8Very high90.1Very high3 Ų354.4 Ų54.43%0.02527%0.27CS..EExtended strand (participates in β ladder)trans-78.4130.9160.500000109.2V58 G59 F62 Y75 F77V58-A82 WeakPolarHBondContact CA-O 3.3Å; G59-A82 PolarHBondContact N-O 2.6Å; G59-A82 WeakPolarHBondContact O-CA 3.46Å; G59-A82 WeakPolarHBondContact O-CB 3.41Å; G59-A82 PolarHBondContact O-N 2.67Å; F62-A82 HydrophobicContact CE1-CB 3.54Å; F62-A82 HydrophobicContact CZ-CB 3.68Å; Y75-A82 HydrophobicContact CE2-CB 3.97Å; F77-A82 HydrophobicContact CD1-CB 4.03Å; F77-A82 HydrophobicContact CE1-CB 3.63Å; F77-A82 HydrophobicContact CE2-CB 4.42Å; F77-A82 HydrophobicContact CZ-CB 3.85Å
83V98.6Very high89.7Confident0 Ų055.1 Ų55.10%027%0.274CS..EExtended strand (participates in β ladder)trans-126.1120.5-177.9-175.60000109.5M42 I57 V58 Y75 F76 H81M42-V83 HydrophobicContact CE-CG1 3.81Å; M42-V83 HydrophobicContact SD-CG1 3.75Å; I57-V83 WeakPolarHBondContact O-CA 3.38Å; V58-V83 HydrophobicContact CG2-CG1 4.35Å; V58-V83 HydrophobicContact CG2-CG2 4.28Å; Y75-V83 WeakPolarHBondContact CA-O 3.25Å; Y75-V83 WeakPolarHBondContact CD2-O 3.43Å; F76-V83 HydrophobicContact CD1-CB 4.26Å; F76-V83 HydrophobicContact CE1-CB 3.9Å; F76-V83 HydrophobicContact CE1-CG1 3.83Å; F76-V83 HydrophobicContact CE2-CB 4.21Å; F76-V83 HydrophobicContact CE2-CG2 4.25Å; F76-V83 HydrophobicContact CZ-CB 3.87Å; F76-V83 HydrophobicContact CZ-CG1 3.9Å; F76-V83 HydrophobicContact CZ-CG2 4.24Å; F76-V83 PolarHBondContact N-O 2.96Å; F76-V83 PolarHBondContact O-N 2.95Å; H81-V83 HydrophobicContact CB-CG2 4.43Å
84V98.6Very high89.3Confident1 Ų157 Ų571%0.00628%0.284CS..EExtended strand (participates in β ladder)trans-111.8118.9169.2-179.60000107.8C56 I57 F62 T64 I66 F73 Y75 F86C56-V84 CarbonylContact C-O 3.54Å; C56-V84 WeakPolarHBondContact CA-O 3.43Å; I57-V84 HydrophobicContact CB-CB 4.29Å; I57-V84 PolarHBondContact N-O 2.9Å; I57-V84 PolarHBondContact O-N 3.11Å; F62-V84 HydrophobicContact CE2-CG2 3.68Å; F62-V84 HydrophobicContact CZ-CG2 4.02Å; T64-V84 HydrophobicContact CG2-CG2 4.15Å; I66-V84 HydrophobicContact CD1-CG1 3.87Å; F73-V84 HydrophobicContact CE2-CG1 3.81Å; Y75-V84 HydrophobicContact CD2-CG2 3.53Å; Y75-V84 HydrophobicContact CE2-CG2 4.15Å; Y75-V84 HydrophobicContact CG-CG2 3.98Å; V84-F86 HydrophobicContact CG1-CD1 3.91Å; V84-F86 HydrophobicContact CG1-CE1 4.36Å
85L98.8Very high88.8Confident0 Ų060.2 Ų60.20%030%0.3CS..EExtended strand (participates in β ladder)trans-125.9122.4-179.1177.872000108.5A21 M42 F46 W54 H55 C56 I74A21-L85 HydrophobicContact CB-CD2 3.99Å; M42-L85 HydrophobicContact CE-CD2 4.1Å; F46-L85 HydrophobicContact CD1-CD2 3.61Å; F46-L85 HydrophobicContact CD1-CG 4.34Å; F46-L85 HydrophobicContact CD2-CD2 3.69Å; F46-L85 HydrophobicContact CE1-CD2 3.48Å; F46-L85 VanDerWaalsContact CE1-CD2 3.48Å; F46-L85 HydrophobicContact CE2-CD2 3.56Å; F46-L85 HydrophobicContact CG-CD1 4.3Å; F46-L85 HydrophobicContact CG-CD2 3.73Å; F46-L85 HydrophobicContact CG-CG 4.46Å; F46-L85 HydrophobicContact CZ-CD2 3.47Å; F46-L85 VanDerWaalsContact CZ-CD2 3.47Å; W54-L85 HydrophobicContact CE3-CD1 4.03Å; W54-L85 HydrophobicContact CE3-CG 3.85Å; W54-L85 HydrophobicContact CZ3-CD2 4.49Å; W54-L85 HydrophobicContact CZ3-CG 4.07Å; H55-L85 WeakPolarHBondContact O-CA 3.13Å; C56-L85 HydrophobicContact CB-CD1 3.81Å; I74-L85 HydrophobicContact CG2-CB 3.86Å; I74-L85 HydrophobicContact CG2-CD2 4.32Å; I74-L85 PolarHBondContact N-O 2.97Å; I74-L85 PolarHBondContact O-N 3.41Å
86F98.3Very high88.2Confident17 Ų1760.2 Ų60.28%0.07530%0.304CS..EExtended strand (participates in β ladder)trans-152.3155-172.666.9-77.7000112.6W54 H55 I57 I66 H68 H72 F73 V84 T88W54-F86 CarbonylContact C-O 3.6Å; W54-F86 WeakPolarHBondContact CA-O 3.42Å; H55-F86 HydrophobicContact CB-CD1 4.02Å; H55-F86 HydrophobicContact CB-CD2 4.3Å; H55-F86 HydrophobicContact CB-CE1 3.61Å; H55-F86 HydrophobicContact CB-CE2 3.92Å; H55-F86 HydrophobicContact CB-CG 4.36Å; H55-F86 HydrophobicContact CB-CZ 3.56Å; H55-F86 PolarHBondContact N-O 3.2Å; H55-F86 PolarHBondContact O-N 3.32Å; I57-F86 HydrophobicContact CD1-CE1 4.18Å; I57-F86 HydrophobicContact CG1-CE1 4.45Å; I66-F86 HydrophobicContact CB-CE2 4.34Å; I66-F86 HydrophobicContact CB-CZ 4.41Å; I66-F86 HydrophobicContact CD1-CB 4.18Å; I66-F86 HydrophobicContact CD1-CD1 3.42Å; I66-F86 VanDerWaalsContact CD1-CD1 3.42Å; I66-F86 HydrophobicContact CD1-CD2 3.67Å; I66-F86 HydrophobicContact CD1-CE1 3.52Å; I66-F86 HydrophobicContact CD1-CE2 3.76Å; I66-F86 HydrophobicContact CD1-CG 3.49Å; I66-F86 VanDerWaalsContact CD1-CG 3.49Å; I66-F86 HydrophobicContact CD1-CZ 3.68Å; I66-F86 HydrophobicContact CG2-CZ 4.16Å; H68-F86 HydrophobicContact CB-CB 4.05Å; H68-F86 HydrophobicContact CB-CD2 4.11Å; H72-F86 CarbonylContact O-C 3.56Å; H72-F86 WeakPolarHBondContact O-CA 3.4Å; F73-F86 HydrophobicContact CB-CB 4.4Å; F73-F86 HydrophobicContact CD2-CB 3.84Å; V84-F86 HydrophobicContact CG1-CD1 3.91Å; V84-F86 HydrophobicContact CG1-CE1 4.36Å; F86-T88 HydrophobicContact CD2-CG2 3.59Å; F86-T88 HydrophobicContact CE2-CG2 3.4Å
87R97Very high87.6Confident44 Ų4464 Ų6417%0.16632%0.323CS..EExtended strand (participates in β ladder)trans-103.9140.9171.3-166.6175.3177.1168.17.9110.1Y50 P52 S53 W54 H68 E69 H72Y50-R87 PolarHBondContact O-NH1 3.31Å; P52-R87 PolarHBondContact O-NE 3.41Å; P52-R87 PolarHBondContact O-NH2 2.93Å; S53-R87 WeakPolarHBondContact O-CG 3.49Å; W54-R87 HydrophobicContact CD2-CB 4.22Å; W54-R87 HydrophobicContact CE3-CB 4.29Å; H68-R87 WeakPolarHBondContact CA-O 3.4Å; H68-R87 WeakPolarHBondContact CB-O 3.36Å; E69-R87 PolarHBondContact N-O 3.13Å; E69-R87 WeakPolarHBondContact OE2-CD 3.07Å; E69-R87 WeakPolarHBondContact OE2-CG 3.49Å; E69-R87 IonicContact OE2-NE 3.38Å; E69-R87 PolarHBondContact OE2-NE 2.82Å; H72-R87 HydrophobicContact CB-CB 3.5Å; H72-R87 VanDerWaalsContact CB-CB 3.5Å; H72-R87 PolarHBondContact O-N 3.47Å
88T92Very high86.9Confident44 Ų4464.5 Ų64.527%0.2733%0.328SS..  trans-117.2142.7168.568.70000109.7H55 F86H55-T88 PolarHBondContact NE2-OG1 3.27Å; F86-T88 HydrophobicContact CD2-CG2 3.59Å; F86-T88 HydrophobicContact CE2-CG2 3.4Å
89G82.1Confident86.3Confident29 Ų2969.1 Ų69.130%0.29935%0.351SS..  trans-74.8160168.200000109.8E69 I91E69-G89 VanDerWaalsContact CG-N 3.34Å; E69-G89 WeakPolarHBondContact OE1-CA 3.49Å; E69-G89 PolarHBondContact OE1-N 3.19Å; E69-G89 VanDerWaalsContact OE1-N 3.1Å; G89-I91 PolarHBondContact O-N 2.97Å
90I68.4Low86Confident154 Ų15467 Ų6779%0.7934%0.339SS*.  trans-63.1110.3164.5-58.6-178.6000106.3K92I90-K92 VanDerWaalsContact C-N 3.26Å; I90-K92 HydrophobicContact CG2-CG 4.19Å; I90-K92 PolarHBondContact O-N 3.07Å
91I55.8Low85.6Confident167 Ų16762.6 Ų62.686%0.85631%0.314SS*.  trans-63.999.1161.4-51.3176.3000104.5G89G89-I91 PolarHBondContact O-N 2.97Å
92K43.9Very low84.6Confident259 Ų25965.3 Ų65.3100%1.12633%0.328SS*.  trans-73.90170.4-83.6-171.8175.6-179.30110I90I90-K92 VanDerWaalsContact C-N 3.26Å; I90-K92 HydrophobicContact CG2-CG 4.19Å; I90-K92 PolarHBondContact O-N 3.07Å

Retrieved 92 of 92 residues in 72.1 ms (Link to these results)

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