A0A077Z2G2_TRITR Loading...

Complex1 LYR domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z2G2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 86 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
1M37.2Very low74.6Confident240 Ų240113.4 Ų113.4100%1.18260%0.597SS**  0102.50-69.4-179.8176.700107.3S3M1-S3 PolarHBondContact O-N 2.81Å; M1-S3 VanDerWaalsContact O-N 3.09Å
2G45Very low76.3Confident81 Ų81110.3 Ų110.384%0.83559%0.586SS**  trans-65.5108.4170.900000106.9E4G2-E4 VanDerWaalsContact C-N 3.29Å; G2-E4 PolarHBondContact O-N 2.86Å
3S53.9Low77.8Confident93 Ų93102.3 Ų102.365%0.6554%0.544SS*.  trans-68.294.3-178.753.80000107.8M1 L5M1-S3 PolarHBondContact O-N 2.81Å; M1-S3 VanDerWaalsContact O-N 3.09Å; S3-L5 PolarHBondContact O-N 2.8Å
4E67.1Low79.1Confident179 Ų179100.7 Ų100.784%0.83653%0.527SS*.  trans-53.3115.9174.3-142179150.600107.5G2 T6G2-E4 VanDerWaalsContact C-N 3.29Å; G2-E4 PolarHBondContact O-N 2.86Å; E4-T6 PolarHBondContact O-N 3.34Å
5L77.3Confident80.2Confident51 Ų51102.1 Ų102.127%0.26753%0.527SS..  trans-61.3109.7-171.1-159.688.8000109.1S3 W10 Y57S3-L5 PolarHBondContact O-N 2.8Å; L5-W10 HydrophobicContact CD2-CD2 4.45Å; L5-W10 HydrophobicContact CD2-CE3 3.54Å; L5-W10 HydrophobicContact CD2-CZ3 4.09Å; L5-Y57 HydrophobicContact CD1-CD1 3.55Å; L5-Y57 HydrophobicContact CD1-CD2 3.89Å; L5-Y57 HydrophobicContact CD1-CE1 4.02Å; L5-Y57 HydrophobicContact CD1-CE2 4.32Å; L5-Y57 HydrophobicContact CD1-CG 3.45Å; L5-Y57 VanDerWaalsContact CD1-CG 3.45Å; L5-Y57 HydrophobicContact CD2-CD2 3.77Å; L5-Y57 HydrophobicContact CD2-CG 3.87Å; L5-Y57 HydrophobicContact CG-CD2 4.26Å; L5-Y57 HydrophobicContact CG-CG 4.23Å
6T86.7Confident81.2Confident76 Ų7698.7 Ų98.747%0.46651%0.51SS..  trans-69.4141.5-173.561.20000110.2E4 S8 A9 W10E4-T6 PolarHBondContact O-N 3.34Å; T6-S8 PolarHBondContact O-N 3.25Å; T6-S8 VanDerWaalsContact O-N 3.1Å; T6-S8 PolarHBondContact OG1-OG 3.47Å; T6-S8 VanDerWaalsContact OG1-OG 3.05Å; T6-A9 PolarHBondContact O-N 3.4Å; T6-A9 WeakPolarHBondContact OG1-CB 3.37Å; T6-A9 PolarHBondContact OG1-N 2.95Å; T6-W10 PolarHBondContact O-N 3.46Å; T6-W10 VanDerWaalsContact O-N 3.13Å
7R86.6Confident82Confident218 Ų21893.1 Ų93.182%0.82348%0.481SS*.Hα-helixtrans-55.2-29.9174.6-72.2-178.6176.3-172-0.7112R11R7-R11 VanDerWaalsContact O-CG 3.31Å; R7-R11 WeakPolarHBondContact O-CG 3.36Å; R7-R11 PolarHBondContact O-N 3.48Å; R7-R11 VanDerWaalsContact O-N 3.14Å
8S90.6Very high82.8Confident75 Ų7589.4 Ų89.452%0.52446%0.462SS..Hα-helixtrans-67.9-47.917550.60000111.8T6 W10 R11 T12T6-S8 PolarHBondContact O-N 3.25Å; T6-S8 VanDerWaalsContact O-N 3.1Å; T6-S8 PolarHBondContact OG1-OG 3.47Å; T6-S8 VanDerWaalsContact OG1-OG 3.05Å; S8-W10 VanDerWaalsContact C-N 3.3Å; S8-W10 PolarHBondContact O-N 3.16Å; S8-R11 PolarHBondContact O-N 3.05Å; S8-R11 VanDerWaalsContact O-N 3.11Å; S8-T12 PolarHBondContact O-N 3.4Å; S8-T12 PolarHBondContact O-OG1 3.04Å; S8-T12 VanDerWaalsContact O-OG1 3.08Å
9A91.5Very high83.4Confident22 Ų2292 Ų9218%0.18247%0.466CS..Hα-helixtrans-57.5-43.5176.400000111.8T6 R11 T12 L13 Y57T6-A9 PolarHBondContact O-N 3.4Å; T6-A9 WeakPolarHBondContact OG1-CB 3.37Å; T6-A9 PolarHBondContact OG1-N 2.95Å; A9-R11 PolarHBondContact O-N 2.99Å; A9-T12 PolarHBondContact O-N 2.84Å; A9-L13 WeakPolarHBondContact O-CB 2.78Å; A9-L13 PolarHBondContact O-N 3.41Å; A9-Y57 HydrophobicContact CB-CE2 4.23Å
10W91.3Very high83.8Confident34 Ų3487.9 Ų87.913%0.12945%0.446CS..Hα-helixtrans-59.2-45.1175.1-166.8-110.2000112.2L5 T6 S8 L13 Y14 F41 L56 Y57L5-W10 HydrophobicContact CD2-CD2 4.45Å; L5-W10 HydrophobicContact CD2-CE3 3.54Å; L5-W10 HydrophobicContact CD2-CZ3 4.09Å; T6-W10 PolarHBondContact O-N 3.46Å; T6-W10 VanDerWaalsContact O-N 3.13Å; S8-W10 VanDerWaalsContact C-N 3.3Å; S8-W10 PolarHBondContact O-N 3.16Å; W10-L13 PolarHBondContact O-N 3.21Å; W10-Y14 PolarHBondContact O-N 2.98Å; W10-Y14 VanDerWaalsContact O-N 3.07Å; W10-F41 AromaticContact CD1-CD1 3.85Å; W10-F41 AromaticContact CD1-CE1 3.99Å; W10-F41 HydrophobicContact CD2-CD1 4.09Å; W10-F41 AromaticContact CD2-CE1 3.71Å; W10-F41 HydrophobicContact CD2-CE1 3.71Å; W10-F41 AromaticContact CE2-CD1 3.35Å; W10-F41 AromaticContact CE2-CE1 3.42Å; W10-F41 VanDerWaalsContact CE2-CE1 3.42Å; W10-F41 HydrophobicContact CE3-CE1 4.29Å; W10-F41 HydrophobicContact CG-CD1 4.36Å; W10-F41 HydrophobicContact CG-CE1 4.06Å; W10-F41 HydrophobicContact CH2-CE1 4.31Å; W10-F41 AromaticContact CZ2-CD1 3.63Å; W10-F41 HydrophobicContact CZ2-CD1 3.63Å; W10-F41 AromaticContact CZ2-CE1 3.75Å; W10-F41 HydrophobicContact CZ2-CE1 3.75Å; W10-F41 HydrophobicContact CZ2-CG 4.15Å; W10-F41 HydrophobicContact CZ2-CZ 4.42Å; W10-F41 AromaticContact NE1-CD1 3.22Å; W10-F41 AromaticContact NE1-CE1 3.65Å; W10-F41 WeakPolarHBondContact O-CE1 3.18Å; W10-L56 HydrophobicContact CH2-CB 3.9Å; W10-L56 HydrophobicContact CZ3-CB 4.37Å; W10-Y57 AromaticContact CE3-CD2 3.73Å; W10-Y57 HydrophobicContact CE3-CD2 3.73Å; W10-Y57 HydrophobicContact CZ3-CD2 4.01Å; W10-Y57 HydrophobicContact CZ3-CG 4.45Å
11R92.9Very high84.2Confident178 Ų17883.7 Ų83.767%0.67243%0.425SS*.Hα-helixtrans-66.4-38.8178.1-75.4174.9-178.3-120.62.9112.7R7 S8 A9 K15R7-R11 VanDerWaalsContact O-CG 3.31Å; R7-R11 WeakPolarHBondContact O-CG 3.36Å; R7-R11 PolarHBondContact O-N 3.48Å; R7-R11 VanDerWaalsContact O-N 3.14Å; S8-R11 PolarHBondContact O-N 3.05Å; S8-R11 VanDerWaalsContact O-N 3.11Å; A9-R11 PolarHBondContact O-N 2.99Å; R11-K15 WeakPolarHBondContact O-CG 3.31Å; R11-K15 PolarHBondContact O-N 3.04Å; R11-K15 VanDerWaalsContact O-N 3.11Å
12T95.2Very high86.8Confident76 Ų7676.3 Ų76.347%0.46639%0.39SS..Hα-helixtrans-63.2-49.8176.5-58.60000110.1S8 A9 Y14 K15 D16S8-T12 PolarHBondContact O-N 3.4Å; S8-T12 PolarHBondContact O-OG1 3.04Å; S8-T12 VanDerWaalsContact O-OG1 3.08Å; A9-T12 PolarHBondContact O-N 2.84Å; T12-Y14 VanDerWaalsContact C-N 3.3Å; T12-Y14 PolarHBondContact O-N 3.18Å; T12-K15 PolarHBondContact O-N 2.92Å; T12-D16 PolarHBondContact O-N 2.84Å
13L95.5Very high88.9Confident7 Ų779.9 Ų79.94%0.03738%0.378CS..Hα-helixtrans-57.3-42.8177.9-177.263.2000112.2A9 W10 D16 L17 F41 Y57 Q61 L64A9-L13 WeakPolarHBondContact O-CB 2.78Å; A9-L13 PolarHBondContact O-N 3.41Å; W10-L13 PolarHBondContact O-N 3.21Å; L13-D16 PolarHBondContact O-N 3.34Å; L13-L17 HydrophobicContact CD1-CD1 4.26Å; L13-L17 HydrophobicContact CD1-CG 4.42Å; L13-L17 HydrophobicContact CG-CD1 4.04Å; L13-L17 WeakPolarHBondContact O-CB 3.43Å; L13-L17 WeakPolarHBondContact O-CG 3.45Å; L13-L17 PolarHBondContact O-N 3.33Å; L13-F41 HydrophobicContact CB-CZ 4.28Å; L13-F41 HydrophobicContact CD2-CZ 4.1Å; L13-F41 HydrophobicContact CG-CZ 3.97Å; L13-Y57 HydrophobicContact CB-CD2 4.48Å; L13-Y57 HydrophobicContact CB-CE2 3.9Å; L13-Y57 HydrophobicContact CD2-CD2 3.39Å; L13-Y57 HydrophobicContact CD2-CE2 3.53Å; L13-Y57 HydrophobicContact CD2-CG 4.17Å; L13-Y57 HydrophobicContact CG-CE2 4.3Å; L13-Q61 HydrophobicContact CD1-CG 4.08Å; L13-Q61 HydrophobicContact CD2-CG 4.26Å; L13-L64 HydrophobicContact CD1-CB 4.33Å; L13-L64 HydrophobicContact CD1-CD2 4.02Å
14Y95.9Very high90.5Very high80 Ų8075.7 Ų75.731%0.31435%0.348SS..Hα-helixtrans-57.9-49.6174.4177.5-107.9000112W10 T12 D16 L17 I18 I37 R38 F41W10-Y14 PolarHBondContact O-N 2.98Å; W10-Y14 VanDerWaalsContact O-N 3.07Å; T12-Y14 VanDerWaalsContact C-N 3.3Å; T12-Y14 PolarHBondContact O-N 3.18Å; Y14-D16 VanDerWaalsContact C-N 3.31Å; Y14-D16 PolarHBondContact O-N 3.16Å; Y14-L17 PolarHBondContact O-N 3.42Å; Y14-I18 HydrophobicContact CD1-CG1 4.37Å; Y14-I18 HydrophobicContact CD2-CG1 4.13Å; Y14-I18 HydrophobicContact CE1-CG1 3.98Å; Y14-I18 HydrophobicContact CE2-CD1 3.9Å; Y14-I18 HydrophobicContact CE2-CG1 3.72Å; Y14-I18 HydrophobicContact CG-CG1 4.45Å; Y14-I18 VanDerWaalsContact O-CG1 3.25Å; Y14-I18 WeakPolarHBondContact O-CG1 3.5Å; Y14-I18 PolarHBondContact O-N 2.95Å; Y14-I37 HydrophobicContact CD2-CG2 3.95Å; Y14-I37 HydrophobicContact CE2-CG2 3.99Å; Y14-R38 HydrophobicContact CE2-CG 4.43Å; Y14-F41 HydrophobicContact CD2-CB 4.02Å; Y14-F41 AromaticContact CD2-CD1 3.85Å; Y14-F41 HydrophobicContact CD2-CD1 3.85Å; Y14-F41 AromaticContact CD2-CD2 3.81Å; Y14-F41 HydrophobicContact CD2-CD2 3.81Å; Y14-F41 HydrophobicContact CD2-CE1 4.34Å; Y14-F41 HydrophobicContact CD2-CE2 4.25Å; Y14-F41 AromaticContact CD2-CG 3.59Å; Y14-F41 HydrophobicContact CD2-CG 3.59Å; Y14-F41 HydrophobicContact CE2-CB 4.41Å; Y14-F41 HydrophobicContact CE2-CG 4.4Å; Y14-F41 HydrophobicContact CG-CD1 4.14Å; Y14-F41 HydrophobicContact CG-CE1 4.39Å; Y14-F41 HydrophobicContact CG-CG 4.34Å
15K96.4Very high91.2Very high121 Ų12169.1 Ų69.153%0.52632%0.322SS..Hα-helixtrans-61.6-41.9-178.9-73.8176.9178.8-176.90111.4R11 T12 I18 R19R11-K15 WeakPolarHBondContact O-CG 3.31Å; R11-K15 PolarHBondContact O-N 3.04Å; R11-K15 VanDerWaalsContact O-N 3.11Å; T12-K15 PolarHBondContact O-N 2.92Å; K15-I18 PolarHBondContact O-N 3.46Å; K15-R19 WeakPolarHBondContact O-CB 3.41Å; K15-R19 VanDerWaalsContact O-CG 3.26Å; K15-R19 WeakPolarHBondContact O-CG 3.41Å; K15-R19 PolarHBondContact O-N 3.25Å
16D95.7Very high91.7Very high48 Ų4869.8 Ų69.826%0.25733%0.326SS..Hα-helixtrans-68.9-42.3-178.4-66-20.8000111.6T12 L13 Y14 I18 R19 S20 L64T12-D16 PolarHBondContact O-N 2.84Å; L13-D16 PolarHBondContact O-N 3.34Å; Y14-D16 VanDerWaalsContact C-N 3.31Å; Y14-D16 PolarHBondContact O-N 3.16Å; D16-I18 PolarHBondContact O-N 3.34Å; D16-R19 PolarHBondContact O-N 3.38Å; D16-R19 IonicContact OD1-NH1 3.65Å; D16-R19 PolarHBondContact OD1-NH1 2.92Å; D16-S20 PolarHBondContact O-N 3.09Å; D16-L64 HydrophobicContact CB-CD1 4.03Å; D16-L64 HydrophobicContact CB-CD2 3.89Å
17L95.9Very high91.6Very high3 Ų369.5 Ų69.52%0.01632%0.317CS..Hα-helixtrans-59.4-46172.8-79.7167.9000112.3L13 Y14 R19 S20 A21 I37 F41 A63 L64 L67L13-L17 HydrophobicContact CD1-CD1 4.26Å; L13-L17 HydrophobicContact CD1-CG 4.42Å; L13-L17 HydrophobicContact CG-CD1 4.04Å; L13-L17 WeakPolarHBondContact O-CB 3.43Å; L13-L17 WeakPolarHBondContact O-CG 3.45Å; L13-L17 PolarHBondContact O-N 3.33Å; Y14-L17 PolarHBondContact O-N 3.42Å; L17-R19 VanDerWaalsContact C-N 3.33Å; L17-R19 PolarHBondContact O-N 3.26Å; L17-S20 PolarHBondContact O-N 2.76Å; L17-A21 VanDerWaalsContact O-CB 3.28Å; L17-A21 WeakPolarHBondContact O-CB 3.28Å; L17-A21 PolarHBondContact O-N 2.73Å; L17-I37 HydrophobicContact CB-CD1 3.84Å; L17-I37 HydrophobicContact CB-CG1 4.12Å; L17-I37 HydrophobicContact CB-CG2 3.95Å; L17-I37 HydrophobicContact CD1-CG2 4.38Å; L17-I37 WeakPolarHBondContact O-CD1 3.4Å; L17-F41 HydrophobicContact CD1-CE2 3.52Å; L17-F41 HydrophobicContact CD1-CZ 3.93Å; L17-A63 HydrophobicContact CD2-CB 4.07Å; L17-L64 HydrophobicContact CD2-CB 3.78Å; L17-L64 HydrophobicContact CD2-CD1 4.25Å; L17-L64 HydrophobicContact CG-CB 4.23Å; L17-L64 HydrophobicContact CG-CD1 4.4Å; L17-L67 HydrophobicContact CD2-CD1 3.78Å
18I95.8Very high91.7Very high27 Ų2762.4 Ų62.414%0.13830%0.3CS..Hα-helixtrans-63.6-40177.6-67.3-66000110.8Y14 K15 D16 N22 L34 I37Y14-I18 HydrophobicContact CD1-CG1 4.37Å; Y14-I18 HydrophobicContact CD2-CG1 4.13Å; Y14-I18 HydrophobicContact CE1-CG1 3.98Å; Y14-I18 HydrophobicContact CE2-CD1 3.9Å; Y14-I18 HydrophobicContact CE2-CG1 3.72Å; Y14-I18 HydrophobicContact CG-CG1 4.45Å; Y14-I18 VanDerWaalsContact O-CG1 3.25Å; Y14-I18 WeakPolarHBondContact O-CG1 3.5Å; Y14-I18 PolarHBondContact O-N 2.95Å; K15-I18 PolarHBondContact O-N 3.46Å; D16-I18 PolarHBondContact O-N 3.34Å; I18-N22 WeakPolarHBondContact CG2-ND2 3.39Å; I18-N22 WeakPolarHBondContact O-CB 3.44Å; I18-N22 PolarHBondContact O-N 2.89Å; I18-N22 PolarHBondContact O-ND2 2.95Å; I18-L34 HydrophobicContact CD1-CD2 3.69Å; I18-L34 HydrophobicContact CG2-CD2 4.09Å; I18-I37 HydrophobicContact CD1-CB 4.26Å; I18-I37 HydrophobicContact CD1-CG2 3.78Å; I18-I37 HydrophobicContact CG1-CG2 4.16Å
19R94.5Very high91.6Very high139 Ų13962 Ų6253%0.52529%0.292SS..Hα-helixtrans-63.5-50.5176.5-75.4169.1-174.9154.9-9.1111.6K15 D16 L17 N22 R23K15-R19 WeakPolarHBondContact O-CB 3.41Å; K15-R19 VanDerWaalsContact O-CG 3.26Å; K15-R19 WeakPolarHBondContact O-CG 3.41Å; K15-R19 PolarHBondContact O-N 3.25Å; D16-R19 PolarHBondContact O-N 3.38Å; D16-R19 IonicContact OD1-NH1 3.65Å; D16-R19 PolarHBondContact OD1-NH1 2.92Å; L17-R19 VanDerWaalsContact C-N 3.33Å; L17-R19 PolarHBondContact O-N 3.26Å; R19-N22 PolarHBondContact O-N 3.34Å; R19-R23 WeakPolarHBondContact O-CG 3.49Å; R19-R23 PolarHBondContact O-N 2.89Å
20S91.9Very high91.6Very high10 Ų1062.7 Ų62.77%0.0729%0.29CS..Hα-helixtrans-63.8-42.9179.3-74.10000112D16 L17 N22 R23D16-S20 PolarHBondContact O-N 3.09Å; L17-S20 PolarHBondContact O-N 2.76Å; S20-N22 VanDerWaalsContact C-N 3.28Å; S20-N22 PolarHBondContact O-N 2.91Å; S20-R23 PolarHBondContact O-N 3.48Å; S20-R23 VanDerWaalsContact O-N 3.09Å
21A92.2Very high91.7Very high0 Ų063.9 Ų63.90%030%0.297CS..Hα-helixtrans-61.1-36.4176.200000112.6L17 R23 L24 R30 F33 L34 I37 L67L17-A21 VanDerWaalsContact O-CB 3.28Å; L17-A21 WeakPolarHBondContact O-CB 3.28Å; L17-A21 PolarHBondContact O-N 2.73Å; A21-R23 PolarHBondContact O-N 2.96Å; A21-L24 WeakPolarHBondContact O-CB 3.44Å; A21-L24 WeakPolarHBondContact O-CG 3.41Å; A21-L24 PolarHBondContact O-N 3.3Å; A21-R30 WeakPolarHBondContact O-CG 3.36Å; A21-F33 HydrophobicContact CB-CB 3.97Å; A21-L34 HydrophobicContact CB-CD2 3.92Å; A21-L34 HydrophobicContact CB-CG 4.16Å; A21-I37 HydrophobicContact CB-CD1 3.7Å; A21-L67 HydrophobicContact CB-CD1 4.34Å
22N91.1Very high91.7Very high85 Ų8560.4 Ų60.446%0.45529%0.287SS..Hα-helixtrans-67.4-20.2177.5-85-55.6000114.1I18 R19 S20 L24 R30I18-N22 WeakPolarHBondContact CG2-ND2 3.39Å; I18-N22 WeakPolarHBondContact O-CB 3.44Å; I18-N22 PolarHBondContact O-N 2.89Å; I18-N22 PolarHBondContact O-ND2 2.95Å; R19-N22 PolarHBondContact O-N 3.34Å; S20-N22 VanDerWaalsContact C-N 3.28Å; S20-N22 PolarHBondContact O-N 2.91Å; N22-L24 VanDerWaalsContact C-N 3.33Å; N22-R30 VanDerWaalsContact O-CD 3.32Å; N22-R30 WeakPolarHBondContact O-CD 3.38Å
23R89.3Confident91.6Very high156 Ų15659 Ų5959%0.58928%0.275SS*.THydrogen-bonded Turntrans-85.8-7.3179.8-65.9178.8-177.3178.9-2.6113.3R19 S20 A21 S25 E71R19-R23 WeakPolarHBondContact O-CG 3.49Å; R19-R23 PolarHBondContact O-N 2.89Å; S20-R23 PolarHBondContact O-N 3.48Å; S20-R23 VanDerWaalsContact O-N 3.09Å; A21-R23 PolarHBondContact O-N 2.96Å; R23-S25 PolarHBondContact O-N 3.43Å; R23-E71 HydrophobicContact CB-CG 3.77Å; R23-E71 WeakPolarHBondContact CD-OE1 3.49Å; R23-E71 WeakPolarHBondContact CD-OE2 3.41Å; R23-E71 IonicContact CZ-OE1 3.53Å; R23-E71 IonicContact NE-OE1 3.62Å; R23-E71 IonicContact NH1-OE1 2.7Å; R23-E71 PolarHBondContact NH1-OE1 2.94Å; R23-E71 IonicContact NH1-OE2 3.61Å
24L86.3Confident91.7Very high4 Ų459 Ų592%0.02128%0.275CS..  trans-63.3129.7174.3-63174.4000110.3A21 N22 N29 R30 F33 L67 E70 E74A21-L24 WeakPolarHBondContact O-CB 3.44Å; A21-L24 WeakPolarHBondContact O-CG 3.41Å; A21-L24 PolarHBondContact O-N 3.3Å; N22-L24 VanDerWaalsContact C-N 3.33Å; L24-N29 HydrophobicContact CD1-CB 4.28Å; L24-R30 HydrophobicContact CB-CB 4.17Å; L24-R30 PolarHBondContact O-NH1 3.41Å; L24-F33 HydrophobicContact CD1-CB 4.4Å; L24-F33 HydrophobicContact CD1-CD2 3.38Å; L24-F33 HydrophobicContact CD1-CE2 4Å; L24-F33 HydrophobicContact CD1-CG 4.18Å; L24-L67 HydrophobicContact CD1-CD2 3.9Å; L24-E70 HydrophobicContact CD2-CB 4.12Å; L24-E74 VanDerWaalsContact C-OE2 3.31Å; L24-E74 WeakPolarHBondContact CA-OE2 3.36Å; L24-E74 WeakPolarHBondContact CB-OE2 3.19Å; L24-E74 WeakPolarHBondContact CD2-OE2 3.14Å
25S83.4Confident91.7Very high41 Ų4163 Ų6329%0.28729%0.289SS..SBendtrans-71.1-41.7-177.867.60000110.9R23 Y27 R30 E74R23-S25 PolarHBondContact O-N 3.43Å; S25-Y27 PolarHBondContact O-N 3.01Å; S25-R30 PolarHBondContact O-NH1 3.22Å; S25-E74 PolarHBondContact N-OE2 2.7Å; S25-E74 PolarHBondContact OG-OE1 3.42Å; S25-E74 PolarHBondContact OG-OE2 2.92Å
26N86.3Confident91.5Very high65 Ų6565.1 Ų65.135%0.34829%0.294SS..SBendtrans-71.5117.6177.6-174.9-60.9000111.6S28 N29 R30N26-S28 PolarHBondContact O-N 3.14Å; N26-S28 WeakPolarHBondContact OD1-CB 3.32Å; N26-S28 PolarHBondContact OD1-N 3.13Å; N26-N29 HydrophobicContact CB-CB 4.05Å; N26-N29 PolarHBondContact O-N 3.36Å; N26-N29 PolarHBondContact OD1-N 3.04Å; N26-R30 WeakPolarHBondContact O-CB 3.45Å; N26-R30 PolarHBondContact O-N 3.05Å
27Y86.2Confident91.5Very high70 Ų7063.4 Ų63.428%0.27529%0.285SS..Hα-helixtrans-54.6-48.2179.3-178.3-98.4000113.2S25 N29 R30 Q31 E85S25-Y27 PolarHBondContact O-N 3.01Å; Y27-N29 VanDerWaalsContact C-N 3.32Å; Y27-N29 PolarHBondContact O-N 3.24Å; Y27-R30 WeakPolarHBondContact O-CB 3.27Å; Y27-R30 PolarHBondContact O-N 3.44Å; Y27-Q31 HydrophobicContact CD1-CG 3.91Å; Y27-Q31 HydrophobicContact CD2-CG 4.18Å; Y27-Q31 HydrophobicContact CE1-CG 3.47Å; Y27-Q31 VanDerWaalsContact CE1-CG 3.47Å; Y27-Q31 HydrophobicContact CE2-CG 3.78Å; Y27-Q31 HydrophobicContact CG-CG 4.25Å; Y27-Q31 WeakPolarHBondContact O-CG 3.35Å; Y27-Q31 PolarHBondContact O-N 3.11Å; Y27-E85 VanDerWaalsContact CB-OE1 3.25Å; Y27-E85 WeakPolarHBondContact CB-OE1 3.25Å; Y27-E85 HydrophobicContact CD2-CG 3.85Å; Y27-E85 WeakPolarHBondContact CD2-OE1 3.31Å; Y27-E85 HydrophobicContact CE2-CG 4.4Å; Y27-E85 HydrophobicContact CG-CG 4.47Å
28S88.9Confident91.5Very high69 Ų6969.7 Ų69.748%0.48331%0.308SS..Hα-helixtrans-62.7-43.5-176-60.10000110.4N26 F32N26-S28 PolarHBondContact O-N 3.14Å; N26-S28 WeakPolarHBondContact OD1-CB 3.32Å; N26-S28 PolarHBondContact OD1-N 3.13Å; S28-F32 WeakPolarHBondContact O-CB 3.38Å; S28-F32 PolarHBondContact O-N 3.2Å
29N87.5Confident91.4Very high66 Ų6670.4 Ų70.435%0.35331%0.312SS..Hα-helixtrans-61.7-50.6173.6-69.8-14.6000110.5L24 N26 Y27 Q31 F32 F33L24-N29 HydrophobicContact CD1-CB 4.28Å; N26-N29 HydrophobicContact CB-CB 4.05Å; N26-N29 PolarHBondContact O-N 3.36Å; N26-N29 PolarHBondContact OD1-N 3.04Å; Y27-N29 VanDerWaalsContact C-N 3.32Å; Y27-N29 PolarHBondContact O-N 3.24Å; N29-Q31 PolarHBondContact O-N 3.1Å; N29-F32 PolarHBondContact O-N 3.43Å; N29-F33 HydrophobicContact CB-CD2 4.32Å; N29-F33 HydrophobicContact CB-CE2 4.32Å; N29-F33 WeakPolarHBondContact O-CD2 3.47Å; N29-F33 PolarHBondContact O-N 3.35Å
30R91.7Very high91.3Very high38 Ų3866 Ų6614%0.14330%0.297CS..Hα-helixtrans-52.9-51.9177.8-179.6160.872.9-98.81.8112A21 N22 L24 S25 N26 Y27 F32 F33 L34 E85A21-R30 WeakPolarHBondContact O-CG 3.36Å; N22-R30 VanDerWaalsContact O-CD 3.32Å; N22-R30 WeakPolarHBondContact O-CD 3.38Å; L24-R30 HydrophobicContact CB-CB 4.17Å; L24-R30 PolarHBondContact O-NH1 3.41Å; S25-R30 PolarHBondContact O-NH1 3.22Å; N26-R30 WeakPolarHBondContact O-CB 3.45Å; N26-R30 PolarHBondContact O-N 3.05Å; Y27-R30 WeakPolarHBondContact O-CB 3.27Å; Y27-R30 PolarHBondContact O-N 3.44Å; R30-F32 PolarHBondContact O-N 2.83Å; R30-F33 PolarHBondContact O-N 3.04Å; R30-L34 HydrophobicContact CG-CD1 3.87Å; R30-L34 HydrophobicContact CG-CG 4.48Å; R30-L34 WeakPolarHBondContact O-CB 3.31Å; R30-L34 WeakPolarHBondContact O-CG 3.26Å; R30-L34 PolarHBondContact O-N 3.44Å; R30-E85 IonicContact CZ-OE1 2.63Å; R30-E85 IonicContact NH1-OE1 3.56Å; R30-E85 IonicContact NH2-OE1 3.83Å; R30-E85 PolarHBondContact NH2-OE1 2.92Å
31Q94Very high91.3Very high58 Ų5866 Ų6627%0.27130%0.296SS..Hα-helixtrans-65.4-40.1179.6-66.2-50.6-4000112.6Y27 N29 R35Y27-Q31 HydrophobicContact CD1-CG 3.91Å; Y27-Q31 HydrophobicContact CD2-CG 4.18Å; Y27-Q31 HydrophobicContact CE1-CG 3.47Å; Y27-Q31 VanDerWaalsContact CE1-CG 3.47Å; Y27-Q31 HydrophobicContact CE2-CG 3.78Å; Y27-Q31 HydrophobicContact CG-CG 4.25Å; Y27-Q31 WeakPolarHBondContact O-CG 3.35Å; Y27-Q31 PolarHBondContact O-N 3.11Å; N29-Q31 PolarHBondContact O-N 3.1Å; Q31-R35 WeakPolarHBondContact O-CB 3.34Å; Q31-R35 PolarHBondContact O-N 2.93Å
32F93Very high91.3Very high106 Ų10672.2 Ų72.247%0.46532%0.32SS..Hα-helixtrans-60.6-51.7176.8174.4-99.3000111.4S28 N29 R30 R35 R36S28-F32 WeakPolarHBondContact O-CB 3.38Å; S28-F32 PolarHBondContact O-N 3.2Å; N29-F32 PolarHBondContact O-N 3.43Å; R30-F32 PolarHBondContact O-N 2.83Å; F32-R35 PolarHBondContact O-N 3.03Å; F32-R36 WeakPolarHBondContact O-CB 3.5Å; F32-R36 PolarHBondContact O-N 2.88Å
33F93.4Very high91.1Very high46 Ų4676.1 Ų76.120%0.20233%0.328CS..Hα-helixtrans-64.1-44.4179.7-76.7-69.4000111.6A21 L24 N29 R30 R35 R36 I37 F66 L67A21-F33 HydrophobicContact CB-CB 3.97Å; L24-F33 HydrophobicContact CD1-CB 4.4Å; L24-F33 HydrophobicContact CD1-CD2 3.38Å; L24-F33 HydrophobicContact CD1-CE2 4Å; L24-F33 HydrophobicContact CD1-CG 4.18Å; N29-F33 HydrophobicContact CB-CD2 4.32Å; N29-F33 HydrophobicContact CB-CE2 4.32Å; N29-F33 WeakPolarHBondContact O-CD2 3.47Å; N29-F33 PolarHBondContact O-N 3.35Å; R30-F33 PolarHBondContact O-N 3.04Å; F33-R35 VanDerWaalsContact C-N 3.31Å; F33-R35 PolarHBondContact O-N 2.97Å; F33-R36 PolarHBondContact O-N 3.11Å; F33-I37 HydrophobicContact CB-CD1 4.49Å; F33-I37 WeakPolarHBondContact O-CB 3.46Å; F33-I37 WeakPolarHBondContact O-CD1 3.46Å; F33-I37 WeakPolarHBondContact O-CG1 3.45Å; F33-I37 PolarHBondContact O-N 3.11Å; F33-F66 HydrophobicContact CE1-CE1 4.2Å; F33-F66 AromaticContact CZ-CE1 3.79Å; F33-F66 HydrophobicContact CZ-CE1 3.79Å; F33-L67 HydrophobicContact CB-CD2 4.3Å; F33-L67 HydrophobicContact CD1-CD2 3.83Å; F33-L67 HydrophobicContact CD2-CD2 3.96Å; F33-L67 HydrophobicContact CE1-CD2 4.1Å; F33-L67 HydrophobicContact CE2-CD2 4.24Å; F33-L67 HydrophobicContact CG-CD2 3.77Å; F33-L67 HydrophobicContact CZ-CD2 4.31Å
34L95.6Very high91Very high6 Ų668.9 Ų68.93%0.03130%0.302CS..Hα-helixtrans-57.4-43.4176.6-73171.8000112.2I18 A21 R30 R38I18-L34 HydrophobicContact CD1-CD2 3.69Å; I18-L34 HydrophobicContact CG2-CD2 4.09Å; A21-L34 HydrophobicContact CB-CD2 3.92Å; A21-L34 HydrophobicContact CB-CG 4.16Å; R30-L34 HydrophobicContact CG-CD1 3.87Å; R30-L34 HydrophobicContact CG-CG 4.48Å; R30-L34 WeakPolarHBondContact O-CB 3.31Å; R30-L34 WeakPolarHBondContact O-CG 3.26Å; R30-L34 PolarHBondContact O-N 3.44Å; L34-R38 VanDerWaalsContact O-CG 3.31Å; L34-R38 WeakPolarHBondContact O-CG 3.47Å; L34-R38 PolarHBondContact O-N 3.06Å; L34-R38 VanDerWaalsContact O-N 3.11Å
35R96Very high91Very high166 Ų16677.8 Ų77.863%0.62634%0.335SS*.Hα-helixtrans-64.9-47.6177.1-166.5-179.5-56.1-104.4-0.6111.1Q31 F32 F33 I37 R38 D39Q31-R35 WeakPolarHBondContact O-CB 3.34Å; Q31-R35 PolarHBondContact O-N 2.93Å; F32-R35 PolarHBondContact O-N 3.03Å; F33-R35 VanDerWaalsContact C-N 3.31Å; F33-R35 PolarHBondContact O-N 2.97Å; R35-I37 PolarHBondContact O-N 2.94Å; R35-R38 PolarHBondContact O-N 3.11Å; R35-D39 PolarHBondContact O-N 3.49Å
36R93.9Very high91.2Very high164 Ų16483 Ų8362%0.61936%0.355SS*.Hα-helixtrans-63.8-39.1-179.1-167.3161.2-179152-3.5112.6F32 F33 D39 H40F32-R36 WeakPolarHBondContact O-CB 3.5Å; F32-R36 PolarHBondContact O-N 2.88Å; F33-R36 PolarHBondContact O-N 3.11Å; R36-D39 PolarHBondContact O-N 2.97Å; R36-H40 WeakPolarHBondContact O-CB 3.2Å; R36-H40 PolarHBondContact O-N 2.92Å
37I95.3Very high91.3Very high12 Ų1282.7 Ų82.76%0.06235%0.352CS..Hα-helixtrans-61.2-50.7173.1-68.1157.8000109.8Y14 L17 I18 A21 F33 R35 D39 H40 F41 L67Y14-I37 HydrophobicContact CD2-CG2 3.95Å; Y14-I37 HydrophobicContact CE2-CG2 3.99Å; L17-I37 HydrophobicContact CB-CD1 3.84Å; L17-I37 HydrophobicContact CB-CG1 4.12Å; L17-I37 HydrophobicContact CB-CG2 3.95Å; L17-I37 HydrophobicContact CD1-CG2 4.38Å; L17-I37 WeakPolarHBondContact O-CD1 3.4Å; I18-I37 HydrophobicContact CD1-CB 4.26Å; I18-I37 HydrophobicContact CD1-CG2 3.78Å; I18-I37 HydrophobicContact CG1-CG2 4.16Å; A21-I37 HydrophobicContact CB-CD1 3.7Å; F33-I37 HydrophobicContact CB-CD1 4.49Å; F33-I37 WeakPolarHBondContact O-CB 3.46Å; F33-I37 WeakPolarHBondContact O-CD1 3.46Å; F33-I37 WeakPolarHBondContact O-CG1 3.45Å; F33-I37 PolarHBondContact O-N 3.11Å; R35-I37 PolarHBondContact O-N 2.94Å; I37-D39 VanDerWaalsContact C-N 3.31Å; I37-D39 PolarHBondContact O-N 3.31Å; I37-H40 PolarHBondContact O-N 3.19Å; I37-F41 HydrophobicContact CG2-CD2 3.97Å; I37-F41 HydrophobicContact CG2-CE2 4.15Å; I37-F41 VanDerWaalsContact O-CD2 3.26Å; I37-F41 WeakPolarHBondContact O-CD2 3.33Å; I37-F41 PolarHBondContact O-N 3.01Å; I37-L67 HydrophobicContact CD1-CD1 4.09Å
38R95.3Very high91.3Very high136 Ų13685 Ų8551%0.51337%0.373SS..Hα-helixtrans-58.6-43179.1-72.7170-179.3159.71112.2Y14 L34 R35 F41 R42Y14-R38 HydrophobicContact CE2-CG 4.43Å; L34-R38 VanDerWaalsContact O-CG 3.31Å; L34-R38 WeakPolarHBondContact O-CG 3.47Å; L34-R38 PolarHBondContact O-N 3.06Å; L34-R38 VanDerWaalsContact O-N 3.11Å; R35-R38 PolarHBondContact O-N 3.11Å; R38-F41 PolarHBondContact O-N 3.07Å; R38-R42 WeakPolarHBondContact O-CB 3.41Å; R38-R42 PolarHBondContact O-N 3.3Å
39D93.6Very high91.4Very high42 Ų4284.8 Ų84.823%0.22537%0.367CS..Hα-helixtrans-65.3-42.8178.2-75.4-29000112.7R35 R36 I37 F41 R42 R43R35-D39 PolarHBondContact O-N 3.49Å; R36-D39 PolarHBondContact O-N 2.97Å; I37-D39 VanDerWaalsContact C-N 3.31Å; I37-D39 PolarHBondContact O-N 3.31Å; D39-F41 VanDerWaalsContact C-N 3.35Å; D39-F41 PolarHBondContact O-N 2.88Å; D39-R42 PolarHBondContact O-N 3.08Å; D39-R42 IonicContact OD1-CZ 3.85Å; D39-R42 IonicContact OD1-NE 2.91Å; D39-R42 IonicContact OD1-NH2 2.73Å; D39-R42 PolarHBondContact OD1-NH2 2.88Å; D39-R43 WeakPolarHBondContact O-CG 3.48Å; D39-R43 PolarHBondContact O-N 3.48Å
40H92.2Very high91.3Very high45 Ų4586.3 Ų86.321%0.20838%0.38CS..Hα-helixtrans-58.4-47.2175.4-173.687.7000111.5R36 I37 R43 G44 L56R36-H40 WeakPolarHBondContact O-CB 3.2Å; R36-H40 PolarHBondContact O-N 2.92Å; I37-H40 PolarHBondContact O-N 3.19Å; H40-R43 PolarHBondContact O-N 3.33Å; H40-G44 PolarHBondContact O-N 3.34Å; H40-L56 VanDerWaalsContact CE1-CD2 3.44Å; H40-L56 WeakPolarHBondContact CE1-CD2 3.13Å; H40-L56 PolarHBondContact NE2-O 3.5Å
41F92.4Very high91.3Very high11 Ų1190 Ų905%0.04840%0.402CS..Hα-helixtrans-73-30.2-179.2-83.2-98.9000113.4W10 L13 Y14 L17 I37 R38 D39 R45W10-F41 AromaticContact CD1-CD1 3.85Å; W10-F41 AromaticContact CD1-CE1 3.99Å; W10-F41 HydrophobicContact CD2-CD1 4.09Å; W10-F41 AromaticContact CD2-CE1 3.71Å; W10-F41 HydrophobicContact CD2-CE1 3.71Å; W10-F41 AromaticContact CE2-CD1 3.35Å; W10-F41 AromaticContact CE2-CE1 3.42Å; W10-F41 VanDerWaalsContact CE2-CE1 3.42Å; W10-F41 HydrophobicContact CE3-CE1 4.29Å; W10-F41 HydrophobicContact CG-CD1 4.36Å; W10-F41 HydrophobicContact CG-CE1 4.06Å; W10-F41 HydrophobicContact CH2-CE1 4.31Å; W10-F41 AromaticContact CZ2-CD1 3.63Å; W10-F41 HydrophobicContact CZ2-CD1 3.63Å; W10-F41 AromaticContact CZ2-CE1 3.75Å; W10-F41 HydrophobicContact CZ2-CE1 3.75Å; W10-F41 HydrophobicContact CZ2-CG 4.15Å; W10-F41 HydrophobicContact CZ2-CZ 4.42Å; W10-F41 AromaticContact NE1-CD1 3.22Å; W10-F41 AromaticContact NE1-CE1 3.65Å; W10-F41 WeakPolarHBondContact O-CE1 3.18Å; L13-F41 HydrophobicContact CB-CZ 4.28Å; L13-F41 HydrophobicContact CD2-CZ 4.1Å; L13-F41 HydrophobicContact CG-CZ 3.97Å; Y14-F41 HydrophobicContact CD2-CB 4.02Å; Y14-F41 AromaticContact CD2-CD1 3.85Å; Y14-F41 HydrophobicContact CD2-CD1 3.85Å; Y14-F41 AromaticContact CD2-CD2 3.81Å; Y14-F41 HydrophobicContact CD2-CD2 3.81Å; Y14-F41 HydrophobicContact CD2-CE1 4.34Å; Y14-F41 HydrophobicContact CD2-CE2 4.25Å; Y14-F41 AromaticContact CD2-CG 3.59Å; Y14-F41 HydrophobicContact CD2-CG 3.59Å; Y14-F41 HydrophobicContact CE2-CB 4.41Å; Y14-F41 HydrophobicContact CE2-CG 4.4Å; Y14-F41 HydrophobicContact CG-CD1 4.14Å; Y14-F41 HydrophobicContact CG-CE1 4.39Å; Y14-F41 HydrophobicContact CG-CG 4.34Å; L17-F41 HydrophobicContact CD1-CE2 3.52Å; L17-F41 HydrophobicContact CD1-CZ 3.93Å; I37-F41 HydrophobicContact CG2-CD2 3.97Å; I37-F41 HydrophobicContact CG2-CE2 4.15Å; I37-F41 VanDerWaalsContact O-CD2 3.26Å; I37-F41 WeakPolarHBondContact O-CD2 3.33Å; I37-F41 PolarHBondContact O-N 3.01Å; R38-F41 PolarHBondContact O-N 3.07Å; D39-F41 VanDerWaalsContact C-N 3.35Å; D39-F41 PolarHBondContact O-N 2.88Å; F41-R45 WeakPolarHBondContact O-CG 3.35Å; F41-R45 PolarHBondContact O-N 2.97Å; F41-R45 VanDerWaalsContact O-N 3.16Å
42R91.3Very high91.1Very high131 Ų13189.3 Ų89.349%0.49440%0.402SS..Hα-helixtrans-63.7-51.2172178.4170.355.7165.4-2.2110.6R38 D39 G44 R45R38-R42 WeakPolarHBondContact O-CB 3.41Å; R38-R42 PolarHBondContact O-N 3.3Å; D39-R42 PolarHBondContact O-N 3.08Å; D39-R42 IonicContact OD1-CZ 3.85Å; D39-R42 IonicContact OD1-NE 2.91Å; D39-R42 IonicContact OD1-NH2 2.73Å; D39-R42 PolarHBondContact OD1-NH2 2.88Å; R42-G44 PolarHBondContact O-N 3.39Å; R42-R45 WeakPolarHBondContact O-CB 3.16Å; R42-R45 PolarHBondContact O-N 3.35Å
43R87.7Confident90.9Very high167 Ų16787.6 Ų87.663%0.6339%0.394SS*.Hα-helixtrans-60.2-44.5176.8-68.9-179.9-178.9116.7-1.2111.9D39 H40 R45 E46 E47D39-R43 WeakPolarHBondContact O-CG 3.48Å; D39-R43 PolarHBondContact O-N 3.48Å; H40-R43 PolarHBondContact O-N 3.33Å; R43-R45 PolarHBondContact O-N 3.37Å; R43-E46 PolarHBondContact O-N 2.93Å; R43-E46 VanDerWaalsContact O-N 3.16Å; R43-E47 PolarHBondContact O-N 3.21Å
44G86.9Confident90.8Very high4 Ų488.8 Ų88.84%0.04140%0.401CS..Hα-helixtrans-66.9-17.2178.900000115.3H40 R42H40-G44 PolarHBondContact O-N 3.34Å; R42-G44 PolarHBondContact O-N 3.39Å
45R86.5Confident90.6Very high190 Ų19093.8 Ų93.872%0.71742%0.424SS*.Hα-helixtrans-74.9-30.9173.1-84.9-166.7-63.8-1780.1113.1F41 R42 R43F41-R45 WeakPolarHBondContact O-CG 3.35Å; F41-R45 PolarHBondContact O-N 2.97Å; F41-R45 VanDerWaalsContact O-N 3.16Å; R42-R45 WeakPolarHBondContact O-CB 3.16Å; R42-R45 PolarHBondContact O-N 3.35Å; R43-R45 PolarHBondContact O-N 3.37Å
46E86.6Confident90.4Very high152 Ų15287.3 Ų87.371%0.7140%0.401SS*.Hα-helixtrans-85.4-18.1-179.1-68.9165.6-165.300111.8R43R43-E46 PolarHBondContact O-N 2.93Å; R43-E46 VanDerWaalsContact O-N 3.16Å
47E88.6Confident90.3Very high57 Ų5781.6 Ų81.627%0.26638%0.38SS..  trans-62.1137.7175.8-172.952.2-103.100111.3R43 D49 V52 K53 L56R43-E47 PolarHBondContact O-N 3.21Å; E47-D49 WeakPolarHBondContact OE1-CB 3.39Å; E47-D49 PolarHBondContact OE1-N 2.95Å; E47-V52 HydrophobicContact CG-CB 3.71Å; E47-V52 HydrophobicContact CG-CG1 3.7Å; E47-V52 WeakPolarHBondContact OE2-CG1 3.26Å; E47-K53 HydrophobicContact CB-CG 4.29Å; E47-K53 HydrophobicContact CG-CG 4.07Å; E47-K53 WeakPolarHBondContact O-CE 3.5Å; E47-K53 PolarHBondContact O-NZ 3.06Å; E47-L56 HydrophobicContact CB-CD1 4.45Å
48T87.6Confident90.2Very high119 Ų11985.9 Ų85.973%0.7340%0.398SS*.  trans-111.5-26.5176.950.50000111.9P50T48-P50 VanDerWaalsContact O-CD 3.31Å; T48-P50 WeakPolarHBondContact O-CD 3.28Å
49D89.8Confident90.2Very high65 Ų6585 Ų8535%0.34840%0.398SS..  trans-68.1117.8179.4-173.4-22.5000110.9E47 L51 V52 K53E47-D49 WeakPolarHBondContact OE1-CB 3.39Å; E47-D49 PolarHBondContact OE1-N 2.95Å; D49-L51 VanDerWaalsContact C-N 3.28Å; D49-L51 PolarHBondContact O-N 2.99Å; D49-L51 WeakPolarHBondContact OD1-CB 3.41Å; D49-L51 PolarHBondContact OD1-N 3.46Å; D49-V52 HydrophobicContact CB-CB 4.03Å; D49-V52 HydrophobicContact CB-CG2 3.75Å; D49-V52 PolarHBondContact O-N 3.47Å; D49-K53 PolarHBondContact O-N 3.41Å
50P86.8Confident90.2Very high98 Ų9883.2 Ų83.264%0.63639%0.389SS*.Hα-helixtrans-57.5-36.7176.9-2434.7000113.8T48 K53 E54T48-P50 VanDerWaalsContact O-CD 3.31Å; T48-P50 WeakPolarHBondContact O-CD 3.28Å; P50-K53 PolarHBondContact O-N 3.23Å; P50-E54 PolarHBondContact O-N 3.42Å
51L90Very high90.3Very high114 Ų11484.9 Ų84.960%0.59740%0.397SS*.Hα-helixtrans-68.3-39.7179.7-69.4170.9000111.1D49 E54 Q55D49-L51 VanDerWaalsContact C-N 3.28Å; D49-L51 PolarHBondContact O-N 2.99Å; D49-L51 WeakPolarHBondContact OD1-CB 3.41Å; D49-L51 PolarHBondContact OD1-N 3.46Å; L51-E54 PolarHBondContact O-N 2.9Å; L51-Q55 WeakPolarHBondContact O-CG 3.42Å; L51-Q55 PolarHBondContact O-N 3.46Å; L51-Q55 PolarHBondContact O-NE2 2.95Å
52V90.1Very high90.4Very high45 Ų4590.4 Ų90.427%0.27342%0.423SS..Hα-helixtrans-68.9-40.4176.9-177.30000110.2E47 D49 E54 Q55 L56E47-V52 HydrophobicContact CG-CB 3.71Å; E47-V52 HydrophobicContact CG-CG1 3.7Å; E47-V52 WeakPolarHBondContact OE2-CG1 3.26Å; D49-V52 HydrophobicContact CB-CB 4.03Å; D49-V52 HydrophobicContact CB-CG2 3.75Å; D49-V52 PolarHBondContact O-N 3.47Å; V52-E54 VanDerWaalsContact C-N 3.32Å; V52-E54 PolarHBondContact O-N 2.99Å; V52-Q55 PolarHBondContact O-N 2.8Å; V52-L56 HydrophobicContact CG1-CD1 4.06Å; V52-L56 HydrophobicContact CG1-CG 4.26Å; V52-L56 WeakPolarHBondContact O-CB 3.25Å; V52-L56 VanDerWaalsContact O-CG 3.28Å; V52-L56 WeakPolarHBondContact O-CG 3.4Å; V52-L56 PolarHBondContact O-N 3.43Å
53K89.8Confident90.4Very high69 Ų6986.1 Ų86.130%0.342%0.416SS..Hα-helixtrans-57.8-44.3172.6-78179.3176.8155.20112.5E47 D49 P50 L56 Y57E47-K53 HydrophobicContact CB-CG 4.29Å; E47-K53 HydrophobicContact CG-CG 4.07Å; E47-K53 WeakPolarHBondContact O-CE 3.5Å; E47-K53 PolarHBondContact O-NZ 3.06Å; D49-K53 PolarHBondContact O-N 3.41Å; P50-K53 PolarHBondContact O-N 3.23Å; K53-L56 PolarHBondContact O-N 3.44Å; K53-Y57 WeakPolarHBondContact O-CB 3.42Å; K53-Y57 PolarHBondContact O-N 3.04Å
54E90.2Very high90.7Very high72 Ų7279.8 Ų79.834%0.33639%0.394SS..Hα-helixtrans-64.3-41.9179-159.6-168.8156.600111.3P50 L51 V52 Y57 K58P50-E54 PolarHBondContact O-N 3.42Å; L51-E54 PolarHBondContact O-N 2.9Å; V52-E54 VanDerWaalsContact C-N 3.32Å; V52-E54 PolarHBondContact O-N 2.99Å; E54-Y57 WeakPolarHBondContact O-CB 3.48Å; E54-Y57 PolarHBondContact O-N 3.32Å; E54-K58 WeakPolarHBondContact O-CG 3.47Å; E54-K58 PolarHBondContact O-N 2.92Å; E54-K58 VanDerWaalsContact OE1-CE 3.27Å; E54-K58 WeakPolarHBondContact OE1-CE 3.38Å; E54-K58 IonicContact OE1-NZ 2.76Å; E54-K58 PolarHBondContact OE1-NZ 3.21Å
55Q92.1Very high91Very high110 Ų11086.4 Ų86.451%0.51442%0.422SS..Hα-helixtrans-63.5-43.5174.2-74.8175.863.200112.4L51 V52 Y57 K58 K59L51-Q55 WeakPolarHBondContact O-CG 3.42Å; L51-Q55 PolarHBondContact O-N 3.46Å; L51-Q55 PolarHBondContact O-NE2 2.95Å; V52-Q55 PolarHBondContact O-N 2.8Å; Q55-Y57 VanDerWaalsContact C-N 3.27Å; Q55-Y57 PolarHBondContact O-N 3.42Å; Q55-K58 PolarHBondContact O-N 2.91Å; Q55-K59 WeakPolarHBondContact O-CB 3.39Å; Q55-K59 WeakPolarHBondContact O-CG 3.46Å; Q55-K59 PolarHBondContact O-N 2.91Å
56L91.7Very high91.1Very high30 Ų3082.2 Ų82.216%0.15741%0.409CS..Hα-helixtrans-63.4-35.5176.6-72172000111.7W10 H40 E47 V52 K53 G60W10-L56 HydrophobicContact CH2-CB 3.9Å; W10-L56 HydrophobicContact CZ3-CB 4.37Å; H40-L56 VanDerWaalsContact CE1-CD2 3.44Å; H40-L56 WeakPolarHBondContact CE1-CD2 3.13Å; H40-L56 PolarHBondContact NE2-O 3.5Å; E47-L56 HydrophobicContact CB-CD1 4.45Å; V52-L56 HydrophobicContact CG1-CD1 4.06Å; V52-L56 HydrophobicContact CG1-CG 4.26Å; V52-L56 WeakPolarHBondContact O-CB 3.25Å; V52-L56 VanDerWaalsContact O-CG 3.28Å; V52-L56 WeakPolarHBondContact O-CG 3.4Å; V52-L56 PolarHBondContact O-N 3.43Å; K53-L56 PolarHBondContact O-N 3.44Å; L56-G60 PolarHBondContact O-N 2.91Å
57Y92.3Very high91.2Very high44 Ų4475.1 Ų75.117%0.17338%0.376CS..Hα-helixtrans-67-48.6174.3-173.4-104.6000111.5L5 A9 W10 L13 K53 E54 Q55 K59 G60 Q61L5-Y57 HydrophobicContact CD1-CD1 3.55Å; L5-Y57 HydrophobicContact CD1-CD2 3.89Å; L5-Y57 HydrophobicContact CD1-CE1 4.02Å; L5-Y57 HydrophobicContact CD1-CE2 4.32Å; L5-Y57 HydrophobicContact CD1-CG 3.45Å; L5-Y57 VanDerWaalsContact CD1-CG 3.45Å; L5-Y57 HydrophobicContact CD2-CD2 3.77Å; L5-Y57 HydrophobicContact CD2-CG 3.87Å; L5-Y57 HydrophobicContact CG-CD2 4.26Å; L5-Y57 HydrophobicContact CG-CG 4.23Å; A9-Y57 HydrophobicContact CB-CE2 4.23Å; W10-Y57 AromaticContact CE3-CD2 3.73Å; W10-Y57 HydrophobicContact CE3-CD2 3.73Å; W10-Y57 HydrophobicContact CZ3-CD2 4.01Å; W10-Y57 HydrophobicContact CZ3-CG 4.45Å; L13-Y57 HydrophobicContact CB-CD2 4.48Å; L13-Y57 HydrophobicContact CB-CE2 3.9Å; L13-Y57 HydrophobicContact CD2-CD2 3.39Å; L13-Y57 HydrophobicContact CD2-CE2 3.53Å; L13-Y57 HydrophobicContact CD2-CG 4.17Å; L13-Y57 HydrophobicContact CG-CE2 4.3Å; K53-Y57 WeakPolarHBondContact O-CB 3.42Å; K53-Y57 PolarHBondContact O-N 3.04Å; E54-Y57 WeakPolarHBondContact O-CB 3.48Å; E54-Y57 PolarHBondContact O-N 3.32Å; Q55-Y57 VanDerWaalsContact C-N 3.27Å; Q55-Y57 PolarHBondContact O-N 3.42Å; Y57-K59 VanDerWaalsContact C-N 3.34Å; Y57-K59 PolarHBondContact O-N 2.9Å; Y57-G60 CarbonylContact O-C 3.58Å; Y57-G60 WeakPolarHBondContact O-CA 3.2Å; Y57-G60 PolarHBondContact O-N 3.25Å; Y57-Q61 HydrophobicContact CD1-CG 4.14Å; Y57-Q61 HydrophobicContact CE1-CG 3.87Å; Y57-Q61 WeakPolarHBondContact O-CG 3.32Å; Y57-Q61 PolarHBondContact O-N 2.96Å
58K93.4Very high91.1Very high102 Ų10274.7 Ų74.744%0.44338%0.379SS..Hα-helixtrans-56.5-46.7175.9-75.7175.7-175.6162.80111.5E54 Q55 G60 Q61 E62E54-K58 WeakPolarHBondContact O-CG 3.47Å; E54-K58 PolarHBondContact O-N 2.92Å; E54-K58 VanDerWaalsContact OE1-CE 3.27Å; E54-K58 WeakPolarHBondContact OE1-CE 3.38Å; E54-K58 IonicContact OE1-NZ 2.76Å; E54-K58 PolarHBondContact OE1-NZ 3.21Å; Q55-K58 PolarHBondContact O-N 2.91Å; K58-G60 VanDerWaalsContact C-N 3.3Å; K58-G60 PolarHBondContact O-N 2.91Å; K58-Q61 WeakPolarHBondContact O-CB 3.44Å; K58-Q61 PolarHBondContact O-N 3.39Å; K58-Q61 VanDerWaalsContact O-N 3.11Å; K58-E62 WeakPolarHBondContact O-CG 3.44Å; K58-E62 PolarHBondContact O-N 2.83Å
59K93.4Very high90.9Very high119 Ų11977.7 Ų77.752%0.51738%0.377SS..Hα-helixtrans-58-40.6173.9-75.1178.6179.8176.20112.5Q55 Y57 E62 A63Q55-K59 WeakPolarHBondContact O-CB 3.39Å; Q55-K59 WeakPolarHBondContact O-CG 3.46Å; Q55-K59 PolarHBondContact O-N 2.91Å; Y57-K59 VanDerWaalsContact C-N 3.34Å; Y57-K59 PolarHBondContact O-N 2.9Å; K59-E62 PolarHBondContact O-N 3.37Å; K59-A63 WeakPolarHBondContact O-CB 3.28Å; K59-A63 PolarHBondContact O-N 3.39Å
60G93.8Very high90.2Very high3 Ų377.7 Ų77.73%0.03138%0.375CS..Hα-helixtrans-67-37.6175.800000112.9L56 Y57 K58 A63 L64L56-G60 PolarHBondContact O-N 2.91Å; Y57-G60 CarbonylContact O-C 3.58Å; Y57-G60 WeakPolarHBondContact O-CA 3.2Å; Y57-G60 PolarHBondContact O-N 3.25Å; K58-G60 VanDerWaalsContact C-N 3.3Å; K58-G60 PolarHBondContact O-N 2.91Å; G60-A63 PolarHBondContact O-N 3.35Å; G60-L64 PolarHBondContact O-N 3.29Å
61Q94.7Very high89.5Confident80 Ų8074.4 Ų74.437%0.37435%0.351SS..Hα-helixtrans-66.2-39.1174.4-68.3-174.7-59.700112.1L13 Y57 K58 L64 K65L13-Q61 HydrophobicContact CD1-CG 4.08Å; L13-Q61 HydrophobicContact CD2-CG 4.26Å; Y57-Q61 HydrophobicContact CD1-CG 4.14Å; Y57-Q61 HydrophobicContact CE1-CG 3.87Å; Y57-Q61 WeakPolarHBondContact O-CG 3.32Å; Y57-Q61 PolarHBondContact O-N 2.96Å; K58-Q61 WeakPolarHBondContact O-CB 3.44Å; K58-Q61 PolarHBondContact O-N 3.39Å; K58-Q61 VanDerWaalsContact O-N 3.11Å; Q61-L64 PolarHBondContact O-N 3.03Å; Q61-K65 WeakPolarHBondContact O-CG 3.32Å; Q61-K65 PolarHBondContact O-N 3.02Å
62E94.7Very high88.4Confident127 Ų12773.2 Ų73.259%0.59335%0.353SS*.Hα-helixtrans-63.3-45.1173.1-71.5171.5171.200111.5K58 K59 L64 K65 F66K58-E62 WeakPolarHBondContact O-CG 3.44Å; K58-E62 PolarHBondContact O-N 2.83Å; K59-E62 PolarHBondContact O-N 3.37Å; E62-L64 VanDerWaalsContact C-N 3.28Å; E62-L64 PolarHBondContact O-N 3.25Å; E62-K65 PolarHBondContact O-N 3.11Å; E62-F66 PolarHBondContact O-N 3.35Å
63A92.2Very high87.2Confident42 Ų4276 Ų7635%0.34737%0.365SS..Hα-helixtrans-60.9-37.1175.100000112.2L17 K59 G60 F66 L67L17-A63 HydrophobicContact CD2-CB 4.07Å; K59-A63 WeakPolarHBondContact O-CB 3.28Å; K59-A63 PolarHBondContact O-N 3.39Å; G60-A63 PolarHBondContact O-N 3.35Å; A63-F66 PolarHBondContact O-N 3.32Å; A63-L67 WeakPolarHBondContact O-CB 3.42Å; A63-L67 WeakPolarHBondContact O-CG 3.06Å; A63-L67 PolarHBondContact O-N 3.3Å
64L93.6Very high85.8Confident34 Ų3474 Ų7418%0.17836%0.357CS..Hα-helixtrans-64.3-46.5175.5-17960.7000110.9L13 D16 L17 G60 Q61 E62 F66 L67 S68L13-L64 HydrophobicContact CD1-CB 4.33Å; L13-L64 HydrophobicContact CD1-CD2 4.02Å; D16-L64 HydrophobicContact CB-CD1 4.03Å; D16-L64 HydrophobicContact CB-CD2 3.89Å; L17-L64 HydrophobicContact CD2-CB 3.78Å; L17-L64 HydrophobicContact CD2-CD1 4.25Å; L17-L64 HydrophobicContact CG-CB 4.23Å; L17-L64 HydrophobicContact CG-CD1 4.4Å; G60-L64 PolarHBondContact O-N 3.29Å; Q61-L64 PolarHBondContact O-N 3.03Å; E62-L64 VanDerWaalsContact C-N 3.28Å; E62-L64 PolarHBondContact O-N 3.25Å; L64-F66 VanDerWaalsContact C-N 3.27Å; L64-F66 PolarHBondContact O-N 3.31Å; L64-L67 PolarHBondContact O-N 3.42Å; L64-S68 PolarHBondContact O-N 2.73Å; L64-S68 PolarHBondContact O-OG 3.05Å
65K92.1Very high84.3Confident143 Ų14375.3 Ų75.362%0.62237%0.369SS*.Hα-helixtrans-58.7-39.9175.5-71.3176.4-177.8177.90112Q61 E62 R69Q61-K65 WeakPolarHBondContact O-CG 3.32Å; Q61-K65 PolarHBondContact O-N 3.02Å; E62-K65 PolarHBondContact O-N 3.11Å; K65-R69 VanDerWaalsContact O-CG 3.28Å; K65-R69 WeakPolarHBondContact O-CG 3.45Å; K65-R69 PolarHBondContact O-N 3.31Å
66F90.2Very high82.5Confident102 Ų10277.4 Ų77.445%0.44738%0.384SS..Hα-helixtrans-63.4-52.1175.5176.3-95.4000111.3F33 E62 A63 L64 S68 R69 E70F33-F66 HydrophobicContact CE1-CE1 4.2Å; F33-F66 AromaticContact CZ-CE1 3.79Å; F33-F66 HydrophobicContact CZ-CE1 3.79Å; E62-F66 PolarHBondContact O-N 3.35Å; A63-F66 PolarHBondContact O-N 3.32Å; L64-F66 VanDerWaalsContact C-N 3.27Å; L64-F66 PolarHBondContact O-N 3.31Å; F66-S68 PolarHBondContact O-N 3.37Å; F66-R69 WeakPolarHBondContact O-CB 3.45Å; F66-R69 PolarHBondContact O-N 3.09Å; F66-R69 VanDerWaalsContact O-N 3.11Å; F66-E70 HydrophobicContact CD1-CG 4.2Å; F66-E70 HydrophobicContact CE1-CG 3.66Å; F66-E70 HydrophobicContact CE2-CG 4.12Å; F66-E70 HydrophobicContact CZ-CG 3.61Å; F66-E70 PolarHBondContact O-N 3.4Å
67L88.8Confident80.5Confident3 Ų382 Ų822%0.01641%0.409CS..Hα-helixtrans-62.1-39.6-179-75.9169.7000113L17 A21 L24 F33 I37 A63 L64 R69 E70 E71L17-L67 HydrophobicContact CD2-CD1 3.78Å; A21-L67 HydrophobicContact CB-CD1 4.34Å; L24-L67 HydrophobicContact CD1-CD2 3.9Å; F33-L67 HydrophobicContact CB-CD2 4.3Å; F33-L67 HydrophobicContact CD1-CD2 3.83Å; F33-L67 HydrophobicContact CD2-CD2 3.96Å; F33-L67 HydrophobicContact CE1-CD2 4.1Å; F33-L67 HydrophobicContact CE2-CD2 4.24Å; F33-L67 HydrophobicContact CG-CD2 3.77Å; F33-L67 HydrophobicContact CZ-CD2 4.31Å; I37-L67 HydrophobicContact CD1-CD1 4.09Å; A63-L67 WeakPolarHBondContact O-CB 3.42Å; A63-L67 WeakPolarHBondContact O-CG 3.06Å; A63-L67 PolarHBondContact O-N 3.3Å; L64-L67 PolarHBondContact O-N 3.42Å; L67-R69 VanDerWaalsContact C-N 3.27Å; L67-R69 PolarHBondContact O-N 2.9Å; L67-E70 PolarHBondContact O-N 3.37Å; L67-E71 WeakPolarHBondContact O-CB 3.42Å; L67-E71 PolarHBondContact O-N 2.96Å
68S85.3Confident78.7Confident48 Ų4888.4 Ų88.434%0.33644%0.438SS..Hα-helixtrans-65.9-29.6176.7-56.60000112.8L64 F66 S72L64-S68 PolarHBondContact O-N 2.73Å; L64-S68 PolarHBondContact O-OG 3.05Å; F66-S68 PolarHBondContact O-N 3.37Å; S68-S72 PolarHBondContact O-N 3.43Å; S68-S72 PolarHBondContact O-OG 2.94Å
69R83.7Confident76.9Confident181 Ų18186.8 Ų86.868%0.68344%0.443SS*.Hα-helixtrans-72.7-46.9173.4-72.2171.6180-171-0.9111.4K65 F66 L67 E71 S72 I73K65-R69 VanDerWaalsContact O-CG 3.28Å; K65-R69 WeakPolarHBondContact O-CG 3.45Å; K65-R69 PolarHBondContact O-N 3.31Å; F66-R69 WeakPolarHBondContact O-CB 3.45Å; F66-R69 PolarHBondContact O-N 3.09Å; F66-R69 VanDerWaalsContact O-N 3.11Å; L67-R69 VanDerWaalsContact C-N 3.27Å; L67-R69 PolarHBondContact O-N 2.9Å; R69-E71 VanDerWaalsContact C-N 3.31Å; R69-E71 PolarHBondContact O-N 3.31Å; R69-S72 WeakPolarHBondContact O-CB 3.36Å; R69-S72 PolarHBondContact O-N 3.07Å; R69-S72 VanDerWaalsContact O-N 3.11Å; R69-I73 WeakPolarHBondContact O-CG1 3.49Å; R69-I73 PolarHBondContact O-N 3.31Å
70E75.7Confident75Confident65 Ų6587.1 Ų87.130%0.30446%0.458SS..Hα-helixtrans-59.9-42.3177.6-71.8-65.2118.500111.7L24 F66 L67 S72 I73 E74L24-E70 HydrophobicContact CD2-CB 4.12Å; F66-E70 HydrophobicContact CD1-CG 4.2Å; F66-E70 HydrophobicContact CE1-CG 3.66Å; F66-E70 HydrophobicContact CE2-CG 4.12Å; F66-E70 HydrophobicContact CZ-CG 3.61Å; F66-E70 PolarHBondContact O-N 3.4Å; L67-E70 PolarHBondContact O-N 3.37Å; E70-S72 VanDerWaalsContact C-N 3.26Å; E70-S72 PolarHBondContact O-N 3.11Å; E70-I73 PolarHBondContact O-N 3.26Å; E70-E74 PolarHBondContact O-N 3.4Å
71E70.6Confident73.4Confident29 Ų2997.1 Ų97.114%0.13649%0.494CS..Hα-helixtrans-55.2-42.7174.2-176.4-167.5153.500112R23 L67 R69 I73 E74 V75R23-E71 HydrophobicContact CB-CG 3.77Å; R23-E71 WeakPolarHBondContact CD-OE1 3.49Å; R23-E71 WeakPolarHBondContact CD-OE2 3.41Å; R23-E71 IonicContact CZ-OE1 3.53Å; R23-E71 IonicContact NE-OE1 3.62Å; R23-E71 IonicContact NH1-OE1 2.7Å; R23-E71 PolarHBondContact NH1-OE1 2.94Å; R23-E71 IonicContact NH1-OE2 3.61Å; L67-E71 WeakPolarHBondContact O-CB 3.42Å; L67-E71 PolarHBondContact O-N 2.96Å; R69-E71 VanDerWaalsContact C-N 3.31Å; R69-E71 PolarHBondContact O-N 3.31Å; E71-I73 VanDerWaalsContact C-N 3.26Å; E71-I73 PolarHBondContact O-N 2.63Å; E71-E74 PolarHBondContact O-N 3.41Å; E71-V75 WeakPolarHBondContact O-CG2 3.06Å; E71-V75 PolarHBondContact O-N 3.48Å; E71-V75 VanDerWaalsContact O-N 3.16Å
72S68Low71.8Confident90 Ų9097.3 Ų97.363%0.62950%0.497SS*.Hα-helixtrans-66.6-29.1-179.9-57.50000112.4S68 R69 E70S68-S72 PolarHBondContact O-N 3.43Å; S68-S72 PolarHBondContact O-OG 2.94Å; R69-S72 WeakPolarHBondContact O-CB 3.36Å; R69-S72 PolarHBondContact O-N 3.07Å; R69-S72 VanDerWaalsContact O-N 3.11Å; E70-S72 VanDerWaalsContact C-N 3.26Å; E70-S72 PolarHBondContact O-N 3.11Å
73I64.6Low70.4Confident104 Ų10497.5 Ų97.553%0.53351%0.507SS..Hα-helixtrans-81.3-44.7178.7-62.1167000110.3R69 E70 E71 V75 N76R69-I73 WeakPolarHBondContact O-CG1 3.49Å; R69-I73 PolarHBondContact O-N 3.31Å; E70-I73 PolarHBondContact O-N 3.26Å; E71-I73 VanDerWaalsContact C-N 3.26Å; E71-I73 PolarHBondContact O-N 2.63Å; I73-V75 VanDerWaalsContact C-N 3.34Å; I73-V75 PolarHBondContact O-N 3.29Å; I73-N76 PolarHBondContact O-N 2.79Å
74E60.3Low69.3Low27 Ų27101.7 Ų101.713%0.12652%0.522CS..Hα-helixtrans-69.2-26.2-177.8-85.1-169.1154.400113.7L24 S25 E70 E71 N76 N77L24-E74 VanDerWaalsContact C-OE2 3.31Å; L24-E74 WeakPolarHBondContact CA-OE2 3.36Å; L24-E74 WeakPolarHBondContact CB-OE2 3.19Å; L24-E74 WeakPolarHBondContact CD2-OE2 3.14Å; S25-E74 PolarHBondContact N-OE2 2.7Å; S25-E74 PolarHBondContact OG-OE1 3.42Å; S25-E74 PolarHBondContact OG-OE2 2.92Å; E70-E74 PolarHBondContact O-N 3.4Å; E71-E74 PolarHBondContact O-N 3.41Å; E74-N76 PolarHBondContact O-N 2.96Å; E74-N76 VanDerWaalsContact O-N 3.1Å; E74-N77 CarbonylContact O-C 3.3Å; E74-N77 VanDerWaalsContact O-C 3.3Å; E74-N77 PolarHBondContact O-N 3.24Å
75V58.4Low67.7Low99 Ų99102.7 Ų102.760%0.653%0.526SS*.THydrogen-bonded Turntrans-55.6-29.4173.6163.70000111.8E71 I73E71-V75 WeakPolarHBondContact O-CG2 3.06Å; E71-V75 PolarHBondContact O-N 3.48Å; E71-V75 VanDerWaalsContact O-N 3.16Å; I73-V75 VanDerWaalsContact C-N 3.34Å; I73-V75 PolarHBondContact O-N 3.29Å
76N54Low65.6Low154 Ų154107 Ų10782%0.82455%0.548SS*.THydrogen-bonded Turntrans-86.2-13.2178.8-13813.2000113.4I73 E74I73-N76 PolarHBondContact O-N 2.79Å; E74-N76 PolarHBondContact O-N 2.96Å; E74-N76 VanDerWaalsContact O-N 3.1Å
77N50.2Low64.3Low125 Ų125107.2 Ų107.267%0.66855%0.553SS**  trans-126.669-174.4-117.4-22.6000109.9E74 A79E74-N77 CarbonylContact O-C 3.3Å; E74-N77 VanDerWaalsContact O-C 3.3Å; E74-N77 PolarHBondContact O-N 3.24Å; N77-A79 VanDerWaalsContact C-N 3.33Å; N77-A79 PolarHBondContact O-N 3.41Å
78K54.2Low63Low180 Ų180112.7 Ų112.778%0.78358%0.581SS**  trans-73.487.1174.8-71.2-170.1-178.3178.90110.2
79A55.3Low61.8Low68 Ų68116.3 Ų116.356%0.56260%0.595SS**PPolyproline II helixtrans-63145.6166.200000110.4N77N77-A79 VanDerWaalsContact C-N 3.33Å; N77-A79 PolarHBondContact O-N 3.41Å
80P55.1Low60.5Low126 Ų126112.5 Ų112.582%0.81859%0.589SS**PPolyproline II helixtrans-61.4139.9178.623.3-31.2000111.2
81R59.8Low59.6Low212 Ų212115.4 Ų115.480%0.861%0.607SS**PPolyproline II helixtrans-61141.3-179.8-73.4-170.1-87.3-111.8-0.8111.2E85R81-E85 WeakPolarHBondContact CB-OE2 3.44Å; R81-E85 WeakPolarHBondContact CD-OE2 3.32Å; R81-E85 WeakPolarHBondContact CG-OE2 2.84Å
82L60.4Low58.8Low84 Ų84121.2 Ų121.244%0.4464%0.639SS.*PPolyproline II helixtrans-71.4148.2176.6-73.6166.2000110.3I84 E85L82-I84 HydrophobicContact CB-CG1 4.32Å; L82-I84 PolarHBondContact O-N 3.16Å; L82-E85 WeakPolarHBondContact O-CB 3.4Å; L82-E85 PolarHBondContact O-N 3.36Å
83V65.3Low58.2Low131 Ų131123.4 Ų123.479%0.79464%0.639SS**G310 helixtrans-55.7-22.8-176.9-171.50000113.3E85V83-E85 PolarHBondContact O-N 3.1Å
84I69.3Low57.7Low130 Ų130124.9 Ų124.967%0.66765%0.647SS**G310 helixtrans-74.4-5.7178.5-13.9170.9000113.3L82L82-I84 HydrophobicContact CB-CG1 4.32Å; L82-I84 PolarHBondContact O-N 3.16Å
85E60.8Low57.5Low55 Ų55133.1 Ų133.126%0.25769%0.691SS.*G310 helixtrans-96.911.1-179.1-59.7-170.7158.100114.2Y27 R30 R81 L82 V83Y27-E85 VanDerWaalsContact CB-OE1 3.25Å; Y27-E85 WeakPolarHBondContact CB-OE1 3.25Å; Y27-E85 HydrophobicContact CD2-CG 3.85Å; Y27-E85 WeakPolarHBondContact CD2-OE1 3.31Å; Y27-E85 HydrophobicContact CE2-CG 4.4Å; Y27-E85 HydrophobicContact CG-CG 4.47Å; R30-E85 IonicContact CZ-OE1 2.63Å; R30-E85 IonicContact NH1-OE1 3.56Å; R30-E85 IonicContact NH2-OE1 3.83Å; R30-E85 PolarHBondContact NH2-OE1 2.92Å; R81-E85 WeakPolarHBondContact CB-OE2 3.44Å; R81-E85 WeakPolarHBondContact CD-OE2 3.32Å; R81-E85 WeakPolarHBondContact CG-OE2 2.84Å; L82-E85 WeakPolarHBondContact O-CB 3.4Å; L82-E85 PolarHBondContact O-N 3.36Å; V83-E85 PolarHBondContact O-N 3.1Å
86H46.7Very low57.4Low233 Ų233136.2 Ų136.2100%1.07970%0.699SS**  trans-89.40177.8-85.1-71.6000114.1

Retrieved 86 of 86 residues in 101.3 ms (Link to these results)

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