G4LWF4_SCHMA Loading...

CAI-2 protein, putative

AlphaFold DB , UniProt , Accession G4LWF4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 128 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M44.9Very low72.9Confident215 Ų21579.6 Ų79.6100%1.05946%0.455SS*.  0110.9041.1-176.391.200107.5S3M1-S3 PolarHBondContact O-N 3.2Å
2V55Low73.8Confident93 Ų9374.4 Ų74.456%0.56443%0.429SS*.  trans-66.3108.1175.7179.60000106.2A4 K6 I7 F65V2-A4 PolarHBondContact O-N 3.28Å; V2-K6 HydrophobicContact CG1-CB 4.45Å; V2-I7 HydrophobicContact CG1-CD1 3.9Å; V2-I7 HydrophobicContact CG1-CG1 3.61Å; V2-F65 HydrophobicContact CG1-CE1 3.9Å
3S66.6Low74.7Confident70 Ų7068.9 Ų68.949%0.4940%0.397SS..  trans-60.9129.9-179.5-164.30000108.3M1 A5 K6M1-S3 PolarHBondContact O-N 3.2Å; S3-A5 PolarHBondContact O-N 2.99Å; S3-K6 WeakPolarHBondContact O-CB 3.1Å; S3-K6 PolarHBondContact O-N 3Å
4A75.7Confident75.5Confident65 Ų6569.1 Ų69.154%0.53740%0.4SS..Hα-helixtrans-51.2-32.3-177.200000111.9V2 K6 I7 I8V2-A4 PolarHBondContact O-N 3.28Å; A4-K6 VanDerWaalsContact C-N 3.32Å; A4-K6 PolarHBondContact O-N 3.03Å; A4-I7 PolarHBondContact O-N 2.89Å; A4-I7 VanDerWaalsContact O-N 3.17Å; A4-I8 VanDerWaalsContact O-CG1 3.32Å; A4-I8 WeakPolarHBondContact O-CG1 2.95Å; A4-I8 PolarHBondContact O-N 3.21Å
5A73.9Confident76.2Confident34 Ų3468.7 Ų68.728%0.28140%0.398SS..Hα-helixtrans-55.6-40.9173.100000113.5S3 I7 I8 Y9 I122S3-A5 PolarHBondContact O-N 2.99Å; A5-I7 PolarHBondContact O-N 2.83Å; A5-I8 PolarHBondContact O-N 3.11Å; A5-Y9 VanDerWaalsContact O-CB 3.3Å; A5-Y9 WeakPolarHBondContact O-CB 3.34Å; A5-Y9 PolarHBondContact O-N 2.72Å; A5-I122 HydrophobicContact CB-CD1 4.25Å; A5-I122 HydrophobicContact CB-CG1 3.96Å
6K74.6Confident76.6Confident49 Ų4964.4 Ų64.421%0.21337%0.374CS..Hα-helixtrans-65.1-40178.2-62.3-170.9178-171.80111.2V2 S3 A4 Y9 L10 F65V2-K6 HydrophobicContact CG1-CB 4.45Å; S3-K6 WeakPolarHBondContact O-CB 3.1Å; S3-K6 PolarHBondContact O-N 3Å; A4-K6 VanDerWaalsContact C-N 3.32Å; A4-K6 PolarHBondContact O-N 3.03Å; K6-Y9 PolarHBondContact O-N 2.9Å; K6-L10 PolarHBondContact O-N 3.32Å; K6-F65 HydrophobicContact CB-CE1 3.94Å; K6-F65 HydrophobicContact CB-CE2 4.16Å; K6-F65 HydrophobicContact CB-CZ 3.52Å; K6-F65 VanDerWaalsContact O-CZ 3.31Å; K6-F65 WeakPolarHBondContact O-CZ 3.2Å
7I80.5Confident77.1Confident91 Ų9162.1 Ų62.147%0.46736%0.361SS..Hα-helixtrans-66.3-47178.5-58.3172.2000110V2 A4 A5 Y9 L10 V11V2-I7 HydrophobicContact CG1-CD1 3.9Å; V2-I7 HydrophobicContact CG1-CG1 3.61Å; A4-I7 PolarHBondContact O-N 2.89Å; A4-I7 VanDerWaalsContact O-N 3.17Å; A5-I7 PolarHBondContact O-N 2.83Å; I7-Y9 PolarHBondContact O-N 3.48Å; I7-L10 PolarHBondContact O-N 2.94Å; I7-V11 WeakPolarHBondContact O-CG2 3.39Å; I7-V11 PolarHBondContact O-N 3.1Å
8I82.2Confident77.6Confident99 Ų9962.7 Ų62.751%0.50837%0.365SS..Hα-helixtrans-58.9-41.5176.8-64.6163.7000110.1A4 A5 V11 A12 I118A4-I8 VanDerWaalsContact O-CG1 3.32Å; A4-I8 WeakPolarHBondContact O-CG1 2.95Å; A4-I8 PolarHBondContact O-N 3.21Å; A5-I8 PolarHBondContact O-N 3.11Å; I8-V11 PolarHBondContact O-N 2.81Å; I8-A12 WeakPolarHBondContact O-CB 3.36Å; I8-A12 PolarHBondContact O-N 3Å; I8-I118 HydrophobicContact CG2-CD1 4.14Å
9Y80.8Confident77.9Confident15 Ų1560.3 Ų60.36%0.05935%0.352CS..Hα-helixtrans-63.8-41.9177.8-174.2-123.9000113.1A5 K6 I7 A12 I13 V61 I77 L81 C115 I118 A119 I122A5-Y9 VanDerWaalsContact O-CB 3.3Å; A5-Y9 WeakPolarHBondContact O-CB 3.34Å; A5-Y9 PolarHBondContact O-N 2.72Å; K6-Y9 PolarHBondContact O-N 2.9Å; I7-Y9 PolarHBondContact O-N 3.48Å; Y9-A12 PolarHBondContact O-N 3.13Å; Y9-I13 PolarHBondContact O-N 2.95Å; Y9-V61 HydrophobicContact CD1-CB 4.5Å; Y9-V61 HydrophobicContact CD1-CG1 3.56Å; Y9-V61 HydrophobicContact CD1-CG2 4.08Å; Y9-V61 HydrophobicContact CE1-CB 4.05Å; Y9-V61 HydrophobicContact CE1-CG1 3.58Å; Y9-V61 HydrophobicContact CE1-CG2 3.22Å; Y9-I77 WeakPolarHBondContact OH-CG2 3.2Å; Y9-L81 WeakPolarHBondContact OH-CD1 3.42Å; Y9-C115 HydrophobicContact CE2-CB 4.18Å; Y9-C115 VanDerWaalsContact CE2-O 3.25Å; Y9-C115 WeakPolarHBondContact CE2-O 3.4Å; Y9-I118 HydrophobicContact CD2-CB 3.99Å; Y9-I118 HydrophobicContact CD2-CG2 3.7Å; Y9-I118 HydrophobicContact CG-CG2 4.07Å; Y9-A119 HydrophobicContact CE2-CB 3.92Å; Y9-I122 HydrophobicContact CD1-CD1 4.39Å; Y9-I122 HydrophobicContact CG-CD1 4.09Å
10L81.8Confident78Confident62 Ų6257.3 Ų57.333%0.32533%0.334SS..Hα-helixtrans-61.1-46.5174.8-168.7158.2000110.9K6 I7 A12 I13 V14 F65K6-L10 PolarHBondContact O-N 3.32Å; I7-L10 PolarHBondContact O-N 2.94Å; L10-A12 VanDerWaalsContact C-N 3.33Å; L10-A12 PolarHBondContact O-N 3.17Å; L10-I13 WeakPolarHBondContact O-CG2 3.42Å; L10-I13 PolarHBondContact O-N 3.28Å; L10-V14 HydrophobicContact CD2-CG2 3.97Å; L10-V14 WeakPolarHBondContact O-CB 3.44Å; L10-V14 VanDerWaalsContact O-CG2 3.26Å; L10-V14 WeakPolarHBondContact O-CG2 3.46Å; L10-V14 PolarHBondContact O-N 3.4Å; L10-F65 HydrophobicContact CB-CE2 4.05Å; L10-F65 HydrophobicContact CB-CZ 4.27Å; L10-F65 HydrophobicContact CD1-CD2 4.25Å; L10-F65 HydrophobicContact CD1-CE2 3.77Å; L10-F65 HydrophobicContact CD1-CZ 4.01Å; L10-F65 HydrophobicContact CG-CE2 4.45Å
11V86Confident78.2Confident83 Ų8357.9 Ų57.950%0.50334%0.339SS..Hα-helixtrans-63-42.4178.11760000111I7 I8 T15I7-V11 WeakPolarHBondContact O-CG2 3.39Å; I7-V11 PolarHBondContact O-N 3.1Å; I8-V11 PolarHBondContact O-N 2.81Å; V11-T15 WeakPolarHBondContact O-CB 3.44Å; V11-T15 PolarHBondContact O-N 2.91Å; V11-T15 PolarHBondContact O-OG1 3.26Å
12A84.2Confident80Confident17 Ų1750.1 Ų50.114%0.1430%0.301CS..Hα-helixtrans-62-46.5179.100000111.6I8 Y9 L10 T15 A16 C115 I118I8-A12 WeakPolarHBondContact O-CB 3.36Å; I8-A12 PolarHBondContact O-N 3Å; Y9-A12 PolarHBondContact O-N 3.13Å; L10-A12 VanDerWaalsContact C-N 3.33Å; L10-A12 PolarHBondContact O-N 3.17Å; A12-T15 WeakPolarHBondContact O-CB 3.43Å; A12-T15 PolarHBondContact O-N 3.18Å; A12-A16 PolarHBondContact O-N 3.32Å; A12-C115 PolarHBondContact O-SG 3.44Å; A12-C115 VanDerWaalsContact O-SG 3.39Å; A12-I118 HydrophobicContact CB-CD1 3.92Å
13I84.7Confident81.1Confident3 Ų345.7 Ų45.72%0.01527%0.274CS..Hα-helixtrans-71.5-35.5-177.8-157.8154.9000112.5Y9 L10 T15 A16 V17 A57 A58 V61 L81Y9-I13 PolarHBondContact O-N 2.95Å; L10-I13 WeakPolarHBondContact O-CG2 3.42Å; L10-I13 PolarHBondContact O-N 3.28Å; I13-T15 VanDerWaalsContact C-N 3.31Å; I13-T15 PolarHBondContact O-N 3.18Å; I13-A16 WeakPolarHBondContact O-CB 3.31Å; I13-A16 PolarHBondContact O-N 3.4Å; I13-V17 WeakPolarHBondContact O-CG2 3.35Å; I13-V17 PolarHBondContact O-N 3.11Å; I13-A57 HydrophobicContact CD1-CB 3.99Å; I13-A58 HydrophobicContact CD1-CB 4.36Å; I13-A58 HydrophobicContact CG1-CB 4.08Å; I13-A58 HydrophobicContact CG2-CB 4.28Å; I13-V61 HydrophobicContact CD1-CG2 3.75Å; I13-V61 HydrophobicContact CG2-CG2 4.37Å; I13-L81 HydrophobicContact CD1-CD2 4.34Å
14V86.6Confident81.6Confident72 Ų7243.6 Ų43.644%0.43626%0.257SS..Hα-helixtrans-61.6-43.7171.6170.90000110.2L10 A16 V17 V18L10-V14 HydrophobicContact CD2-CG2 3.97Å; L10-V14 WeakPolarHBondContact O-CB 3.44Å; L10-V14 VanDerWaalsContact O-CG2 3.26Å; L10-V14 WeakPolarHBondContact O-CG2 3.46Å; L10-V14 PolarHBondContact O-N 3.4Å; V14-A16 VanDerWaalsContact C-N 3.32Å; V14-A16 PolarHBondContact O-N 3.24Å; V14-V17 PolarHBondContact O-N 3.46Å; V14-V18 HydrophobicContact CG1-CG2 4.47Å; V14-V18 VanDerWaalsContact O-CG2 3.31Å; V14-V18 WeakPolarHBondContact O-CG2 3.25Å; V14-V18 PolarHBondContact O-N 2.74Å
15T85.6Confident81.7Confident62 Ų6244.2 Ų44.238%0.3826%0.263SS..Hα-helixtrans-62.2-40.9176.2-51.60000111.2V11 A12 I13 V17 V18 C19 V111V11-T15 WeakPolarHBondContact O-CB 3.44Å; V11-T15 PolarHBondContact O-N 2.91Å; V11-T15 PolarHBondContact O-OG1 3.26Å; A12-T15 WeakPolarHBondContact O-CB 3.43Å; A12-T15 PolarHBondContact O-N 3.18Å; I13-T15 VanDerWaalsContact C-N 3.31Å; I13-T15 PolarHBondContact O-N 3.18Å; T15-V17 PolarHBondContact O-N 3.37Å; T15-V18 PolarHBondContact O-N 3.29Å; T15-C19 PolarHBondContact O-N 3.15Å; T15-C19 PolarHBondContact O-SG 3.32Å; T15-V111 HydrophobicContact CG2-CG1 4.31Å
16A82.8Confident81.6Confident0 Ų046 Ų460%027%0.266CS..Hα-helixtrans-60.6-46.117600000112.1A12 I13 V14 C19 A20 L54 V111 T112A12-A16 PolarHBondContact O-N 3.32Å; I13-A16 WeakPolarHBondContact O-CB 3.31Å; I13-A16 PolarHBondContact O-N 3.4Å; V14-A16 VanDerWaalsContact C-N 3.32Å; V14-A16 PolarHBondContact O-N 3.24Å; A16-C19 PolarHBondContact O-N 2.88Å; A16-A20 WeakPolarHBondContact O-CB 3.16Å; A16-A20 PolarHBondContact O-N 2.99Å; A16-L54 HydrophobicContact CB-CD1 4.34Å; A16-L54 HydrophobicContact CB-CD2 4.19Å; A16-V111 HydrophobicContact CB-CB 4.31Å; A16-V111 HydrophobicContact CB-CG1 3.75Å; A16-T112 HydrophobicContact CB-CG2 4.22Å
17V84.8Confident81.2Confident26 Ų2643.9 Ų43.916%0.15826%0.258CS..Hα-helixtrans-61.6-45.7177.2171.90000110.4I13 V14 T15 C19 A20 V21 L54 I55 A58I13-V17 WeakPolarHBondContact O-CG2 3.35Å; I13-V17 PolarHBondContact O-N 3.11Å; V14-V17 PolarHBondContact O-N 3.46Å; T15-V17 PolarHBondContact O-N 3.37Å; V17-C19 PolarHBondContact O-N 3.48Å; V17-A20 PolarHBondContact O-N 2.72Å; V17-V21 HydrophobicContact CG1-CG2 4.25Å; V17-V21 WeakPolarHBondContact O-CB 3.48Å; V17-V21 VanDerWaalsContact O-CG2 3.26Å; V17-V21 WeakPolarHBondContact O-CG2 3.39Å; V17-V21 PolarHBondContact O-N 3.04Å; V17-L54 HydrophobicContact CG2-CB 4.28Å; V17-I55 HydrophobicContact CG1-CG1 3.97Å; V17-A58 HydrophobicContact CG2-CB 3.96Å
18V86.8Confident80.2Confident73 Ų7342 Ų4244%0.44225%0.252SS..Hα-helixtrans-61-46.2178.1171.50000111V14 T15 A20 V21 I22V14-V18 HydrophobicContact CG1-CG2 4.47Å; V14-V18 VanDerWaalsContact O-CG2 3.31Å; V14-V18 WeakPolarHBondContact O-CG2 3.25Å; V14-V18 PolarHBondContact O-N 2.74Å; T15-V18 PolarHBondContact O-N 3.29Å; V18-A20 VanDerWaalsContact C-N 3.34Å; V18-A20 PolarHBondContact O-N 3.12Å; V18-V21 PolarHBondContact O-N 2.95Å; V18-I22 HydrophobicContact CG1-CD1 3.61Å; V18-I22 HydrophobicContact CG1-CG1 4.35Å; V18-I22 WeakPolarHBondContact O-CB 3.37Å; V18-I22 WeakPolarHBondContact O-CG1 3.49Å; V18-I22 PolarHBondContact O-N 2.96Å
19C82.2Confident79.2Confident16 Ų1638.7 Ų38.711%0.10823%0.234CC..Hα-helixtrans-60.2-42.7176.1-70.70000112.3T15 A16 V17 I22 A23 A108T15-C19 PolarHBondContact O-N 3.15Å; T15-C19 PolarHBondContact O-SG 3.32Å; A16-C19 PolarHBondContact O-N 2.88Å; V17-C19 PolarHBondContact O-N 3.48Å; C19-I22 PolarHBondContact O-N 3.35Å; C19-A23 WeakPolarHBondContact O-CB 3.45Å; C19-A23 PolarHBondContact O-N 2.94Å; C19-A108 HydrophobicContact CB-CB 3.95Å
20A79.9Confident78Confident0 Ų043.9 Ų43.90%026%0.26CS..Hα-helixtrans-66.6-41.2178.900000112.3A16 V17 V18 A23 L24 T51 L54 F88 A108A16-A20 WeakPolarHBondContact O-CB 3.16Å; A16-A20 PolarHBondContact O-N 2.99Å; V17-A20 PolarHBondContact O-N 2.72Å; V18-A20 VanDerWaalsContact C-N 3.34Å; V18-A20 PolarHBondContact O-N 3.12Å; A20-A23 WeakPolarHBondContact O-CB 3.45Å; A20-A23 PolarHBondContact O-N 2.94Å; A20-L24 PolarHBondContact O-N 3.28Å; A20-T51 HydrophobicContact CB-CG2 3.95Å; A20-L54 HydrophobicContact CB-CD1 3.85Å; A20-F88 HydrophobicContact CB-CZ 4.02Å; A20-A108 HydrophobicContact CB-CB 4.44Å
21V83.1Confident76.8Confident71 Ų7148.1 Ų48.143%0.4328%0.276SS..Hα-helixtrans-65.8-41.1175.4172.60000111.2V17 V18 A23 L24 A25 T51V17-V21 HydrophobicContact CG1-CG2 4.25Å; V17-V21 WeakPolarHBondContact O-CB 3.48Å; V17-V21 VanDerWaalsContact O-CG2 3.26Å; V17-V21 WeakPolarHBondContact O-CG2 3.39Å; V17-V21 PolarHBondContact O-N 3.04Å; V18-V21 PolarHBondContact O-N 2.95Å; V21-A23 VanDerWaalsContact C-N 3.34Å; V21-L24 WeakPolarHBondContact O-CB 3.4Å; V21-L24 PolarHBondContact O-N 2.96Å; V21-A25 WeakPolarHBondContact O-CB 3.31Å; V21-A25 PolarHBondContact O-N 3.09Å; V21-T51 HydrophobicContact CG2-CG2 4.18Å
22I82.8Confident75.2Confident52 Ų5251.9 Ų51.927%0.26729%0.293SS..Hα-helixtrans-64.3-41.3175.3-67.5166.2000110.5V18 C19 L24 A25 I26 W104V18-I22 HydrophobicContact CG1-CD1 3.61Å; V18-I22 HydrophobicContact CG1-CG1 4.35Å; V18-I22 WeakPolarHBondContact O-CB 3.37Å; V18-I22 WeakPolarHBondContact O-CG1 3.49Å; V18-I22 PolarHBondContact O-N 2.96Å; C19-I22 PolarHBondContact O-N 3.35Å; I22-L24 VanDerWaalsContact C-N 3.32Å; I22-L24 PolarHBondContact O-N 3.26Å; I22-A25 PolarHBondContact O-N 3.41Å; I22-I26 HydrophobicContact CG2-CD1 3.49Å; I22-I26 VanDerWaalsContact CG2-CD1 3.49Å; I22-I26 HydrophobicContact CG2-CG1 4.22Å; I22-I26 WeakPolarHBondContact O-CB 3.3Å; I22-I26 VanDerWaalsContact O-CG1 3.32Å; I22-I26 WeakPolarHBondContact O-CG1 3.31Å; I22-I26 PolarHBondContact O-N 2.98Å; I22-W104 HydrophobicContact CB-CE3 4.07Å; I22-W104 HydrophobicContact CB-CZ3 4.21Å; I22-W104 HydrophobicContact CD1-CE3 4.47Å; I22-W104 HydrophobicContact CD1-CH2 4.1Å; I22-W104 HydrophobicContact CD1-CZ3 3.77Å; I22-W104 HydrophobicContact CG2-CD2 3.63Å; I22-W104 HydrophobicContact CG2-CE3 3.58Å; I22-W104 HydrophobicContact CG2-CG 4.25Å; I22-W104 HydrophobicContact CG2-CH2 4.02Å; I22-W104 HydrophobicContact CG2-CZ2 4.06Å; I22-W104 HydrophobicContact CG2-CZ3 3.78Å
23A77.1Confident73.7Confident0 Ų056.3 Ų56.30%032%0.315CS..Hα-helixtrans-59.6-43.1174.900000111.3C19 A20 V21 S27 Y101 W104C19-A23 WeakPolarHBondContact O-CB 3.45Å; C19-A23 PolarHBondContact O-N 2.94Å; A20-A23 WeakPolarHBondContact O-CB 3.45Å; A20-A23 PolarHBondContact O-N 2.94Å; V21-A23 VanDerWaalsContact C-N 3.34Å; A23-S27 PolarHBondContact O-N 3.25Å; A23-Y101 WeakPolarHBondContact O-CD2 3.35Å; A23-Y101 WeakPolarHBondContact O-CE2 3.32Å; A23-W104 HydrophobicContact CB-CB 4.07Å
24L78Confident72.2Confident25 Ų2559.8 Ų59.813%0.13135%0.351CS..Hα-helixtrans-63.1-43.7173.2-77.8175.6000112.9A20 V21 I22 I26 S27 L44 I47 I48 T51A20-L24 PolarHBondContact O-N 3.28Å; V21-L24 WeakPolarHBondContact O-CB 3.4Å; V21-L24 PolarHBondContact O-N 2.96Å; I22-L24 VanDerWaalsContact C-N 3.32Å; I22-L24 PolarHBondContact O-N 3.26Å; L24-I26 VanDerWaalsContact C-N 3.34Å; L24-I26 PolarHBondContact O-N 3.47Å; L24-S27 WeakPolarHBondContact O-CB 3.45Å; L24-S27 PolarHBondContact O-N 3.28Å; L24-S27 VanDerWaalsContact O-N 3.13Å; L24-S27 PolarHBondContact O-OG 2.85Å; L24-L44 HydrophobicContact CD2-CD1 4.44Å; L24-I47 HydrophobicContact CD2-CB 4.16Å; L24-I47 HydrophobicContact CD2-CG2 3.44Å; L24-I47 VanDerWaalsContact CD2-CG2 3.44Å; L24-I47 HydrophobicContact CG-CG2 3.81Å; L24-I48 HydrophobicContact CD2-CG1 3.64Å; L24-T51 HydrophobicContact CD1-CG2 3.71Å; L24-T51 WeakPolarHBondContact CD1-OG1 3.44Å
25A76.8Confident70.6Confident79 Ų7964 Ų6465%0.65337%0.37SS*.Hα-helixtrans-67.1-33.7-178.400000112.9V21 I22 S27V21-A25 WeakPolarHBondContact O-CB 3.31Å; V21-A25 PolarHBondContact O-N 3.09Å; I22-A25 PolarHBondContact O-N 3.41Å; A25-S27 VanDerWaalsContact C-N 3.27Å
26I72.8Confident69.3Low70 Ų7063.9 Ų63.936%0.35937%0.369SS..Hα-helixtrans-82.1-9.8176.5-61.8170.1000111.2I22 L24 P28 W104I22-I26 HydrophobicContact CG2-CD1 3.49Å; I22-I26 VanDerWaalsContact CG2-CD1 3.49Å; I22-I26 HydrophobicContact CG2-CG1 4.22Å; I22-I26 WeakPolarHBondContact O-CB 3.3Å; I22-I26 VanDerWaalsContact O-CG1 3.32Å; I22-I26 WeakPolarHBondContact O-CG1 3.31Å; I22-I26 PolarHBondContact O-N 2.98Å; L24-I26 VanDerWaalsContact C-N 3.34Å; L24-I26 PolarHBondContact O-N 3.47Å; I26-P28 WeakPolarHBondContact O-CD 3.47Å; I26-W104 HydrophobicContact CD1-CD2 4.38Å; I26-W104 HydrophobicContact CD1-CG 4.11Å
27S66.4Low68.6Low6 Ų667.7 Ų67.74%0.04239%0.392CS..  trans-58.6116.8-177.675.20000110.3A23 L24 A25 F29 M30A23-S27 PolarHBondContact O-N 3.25Å; L24-S27 WeakPolarHBondContact O-CB 3.45Å; L24-S27 PolarHBondContact O-N 3.28Å; L24-S27 VanDerWaalsContact O-N 3.13Å; L24-S27 PolarHBondContact O-OG 2.85Å; A25-S27 VanDerWaalsContact C-N 3.27Å; S27-F29 PolarHBondContact O-N 2.99Å; S27-F29 VanDerWaalsContact O-N 3.14Å; S27-M30 PolarHBondContact O-N 3.2Å
28P59.4Low68Low52 Ų5272.1 Ų72.134%0.33842%0.42SS..G310 helixtrans-65.7-19-179.330-38.1000111.5I26 M30 K31I26-P28 WeakPolarHBondContact O-CD 3.47Å; P28-M30 VanDerWaalsContact C-N 3.25Å; P28-M30 PolarHBondContact O-N 3.37Å; P28-K31 WeakPolarHBondContact O-CB 3.33Å; P28-K31 PolarHBondContact O-N 2.91Å; P28-K31 VanDerWaalsContact O-N 3.15Å
29F60.7Low67.2Low29 Ų2972 Ų7213%0.12742%0.422CS..G310 helixtrans-71.5-15.8-176.6-44.6-62.1000114S27 K31 V36 Q40 N43 L44 I95 Y101S27-F29 PolarHBondContact O-N 2.99Å; S27-F29 VanDerWaalsContact O-N 3.14Å; F29-K31 VanDerWaalsContact C-N 3.34Å; F29-V36 HydrophobicContact CD1-CG1 4.44Å; F29-Q40 HydrophobicContact CD1-CB 3.84Å; F29-Q40 HydrophobicContact CD1-CG 4.03Å; F29-Q40 HydrophobicContact CE1-CB 3.82Å; F29-Q40 HydrophobicContact CE1-CG 3.53Å; F29-Q40 HydrophobicContact CZ-CG 4.25Å; F29-N43 WeakPolarHBondContact CE2-ND2 3.26Å; F29-L44 HydrophobicContact CB-CB 4.46Å; F29-L44 HydrophobicContact CB-CD1 4.29Å; F29-L44 HydrophobicContact CB-CD2 4.11Å; F29-L44 HydrophobicContact CD2-CD1 4.47Å; F29-I95 HydrophobicContact CE2-CD1 4.16Å; F29-I95 HydrophobicContact CZ-CD1 4.24Å; F29-Y101 HydrophobicContact CE2-CE1 4.19Å
30M55.6Low66.6Low123 Ų12374.3 Ų74.361%0.60643%0.431SS*.G310 helixtrans-81.2-20.9173.5-159.5177.8-69.200111.7S27 P28 N32S27-M30 PolarHBondContact O-N 3.2Å; P28-M30 VanDerWaalsContact C-N 3.25Å; P28-M30 PolarHBondContact O-N 3.37Å; M30-N32 PolarHBondContact O-N 3.35Å
31K55.9Low66.3Low152 Ų15281.3 Ų81.366%0.66146%0.462SS*.SBendtrans-73.5120173-157.1175.2174.1-169.50106.9P28 F29 D33P28-K31 WeakPolarHBondContact O-CB 3.33Å; P28-K31 PolarHBondContact O-N 2.91Å; P28-K31 VanDerWaalsContact O-N 3.15Å; F29-K31 VanDerWaalsContact C-N 3.34Å; K31-D33 PolarHBondContact O-N 3.44Å
32N53.4Low66Low161 Ų16180.8 Ų80.886%0.86146%0.458SS*.  trans-65.943-165-162.533.4000114.9M30 G34M30-N32 PolarHBondContact O-N 3.35Å; N32-G34 PolarHBondContact O-N 3Å
33D51.4Low65.8Low111 Ų11178.3 Ų78.359%0.59445%0.446SS*.  trans-82.6101.9174.1-68.5-37.5000106.8K31 L35 V36K31-D33 PolarHBondContact O-N 3.44Å; D33-L35 PolarHBondContact O-N 3.49Å; D33-V36 WeakPolarHBondContact O-CG2 3.48Å
34G53.1Low65.9Low75 Ų7579.6 Ų79.677%0.77345%0.453SS*.SBendtrans-62.526.1-172.500000116.9N32N32-G34 PolarHBondContact O-N 3Å
35L53.2Low66Low161 Ų16181 Ų8184%0.84346%0.464SS*.  trans-119.833173.9-76.792.3000112.1D33 T37D33-L35 PolarHBondContact O-N 3.49Å; L35-T37 PolarHBondContact O-N 3.17Å
36V59.7Low66.3Low60 Ų6080.1 Ų80.136%0.36445%0.446SS..  trans-68.5117.7174.1-165.70000108.7F29 D33 Q40F29-V36 HydrophobicContact CD1-CG1 4.44Å; D33-V36 WeakPolarHBondContact O-CG2 3.48Å; V36-Q40 HydrophobicContact CG1-CB 3.41Å; V36-Q40 VanDerWaalsContact CG1-CB 3.41Å; V36-Q40 HydrophobicContact CG1-CG 4.5Å
37T68.3Low66.8Low79 Ų7976.8 Ų76.849%0.48543%0.429SS..  trans-64.3152.917760.60000110.2L35 S39 Q40 K41L35-T37 PolarHBondContact O-N 3.17Å; T37-S39 PolarHBondContact O-N 3.36Å; T37-S39 VanDerWaalsContact O-N 3.1Å; T37-Q40 WeakPolarHBondContact O-CB 3.46Å; T37-Q40 PolarHBondContact O-N 3.03Å; T37-Q40 VanDerWaalsContact OG1-CG 3.32Å; T37-Q40 WeakPolarHBondContact OG1-CG 3.3Å; T37-Q40 PolarHBondContact OG1-OE1 3.46Å; T37-K41 PolarHBondContact O-N 3.01Å
38T71Confident67.7Low120 Ų12080 Ų8074%0.73644%0.444SS*.Hα-helixtrans-51.7-38.7-179.8-490000111.8K41 V42T38-K41 PolarHBondContact O-N 3.33Å; T38-V42 WeakPolarHBondContact O-CG2 3.32Å; T38-V42 PolarHBondContact O-N 3.3Å; T38-V42 VanDerWaalsContact O-N 3.14Å
39S70Confident69Low69 Ų6981.6 Ų81.648%0.48345%0.449SS..Hα-helixtrans-61.9-42.5176.6-50.50000113.1T37 K41 V42 N43 V94T37-S39 PolarHBondContact O-N 3.36Å; T37-S39 VanDerWaalsContact O-N 3.1Å; S39-K41 PolarHBondContact O-N 2.87Å; S39-V42 PolarHBondContact O-N 3.39Å; S39-N43 PolarHBondContact O-N 3.48Å; S39-V94 WeakPolarHBondContact O-CG1 3.5Å
40Q71.1Confident70Confident66 Ų6680.2 Ų80.231%0.30844%0.443SS..Hα-helixtrans-67.1-37.8179.5-72.3171-28.500112.2F29 V36 T37 V42 N43 L44F29-Q40 HydrophobicContact CD1-CB 3.84Å; F29-Q40 HydrophobicContact CD1-CG 4.03Å; F29-Q40 HydrophobicContact CE1-CB 3.82Å; F29-Q40 HydrophobicContact CE1-CG 3.53Å; F29-Q40 HydrophobicContact CZ-CG 4.25Å; V36-Q40 HydrophobicContact CG1-CB 3.41Å; V36-Q40 VanDerWaalsContact CG1-CB 3.41Å; V36-Q40 HydrophobicContact CG1-CG 4.5Å; T37-Q40 WeakPolarHBondContact O-CB 3.46Å; T37-Q40 PolarHBondContact O-N 3.03Å; T37-Q40 VanDerWaalsContact OG1-CG 3.32Å; T37-Q40 WeakPolarHBondContact OG1-CG 3.3Å; T37-Q40 PolarHBondContact OG1-OE1 3.46Å; Q40-V42 VanDerWaalsContact C-N 3.33Å; Q40-N43 PolarHBondContact O-N 2.95Å; Q40-L44 PolarHBondContact O-N 2.97Å
41K73.3Confident71.4Confident147 Ų14774.5 Ų74.564%0.63942%0.416SS*.Hα-helixtrans-64.2-39.5175-172.9175.5-179.7-179.70111.6T37 T38 S39 S45T37-K41 PolarHBondContact O-N 3.01Å; T38-K41 PolarHBondContact O-N 3.33Å; S39-K41 PolarHBondContact O-N 2.87Å; K41-S45 WeakPolarHBondContact O-CB 3.39Å; K41-S45 PolarHBondContact O-N 3.44Å; K41-S45 VanDerWaalsContact O-N 3.08Å; K41-S45 PolarHBondContact O-OG 3.46Å
42V75.8Confident72.9Confident59 Ų5971.2 Ų71.236%0.35841%0.408SS..Hα-helixtrans-63.2-47.7175.1172.40000110.3T38 S39 Q40 L44 S45 F46T38-V42 WeakPolarHBondContact O-CG2 3.32Å; T38-V42 PolarHBondContact O-N 3.3Å; T38-V42 VanDerWaalsContact O-N 3.14Å; S39-V42 PolarHBondContact O-N 3.39Å; Q40-V42 VanDerWaalsContact C-N 3.33Å; V42-L44 PolarHBondContact O-N 3.32Å; V42-S45 WeakPolarHBondContact O-CB 3.43Å; V42-S45 PolarHBondContact O-N 3.32Å; V42-F46 HydrophobicContact CG1-CD2 3.61Å; V42-F46 HydrophobicContact CG1-CE2 3.48Å; V42-F46 VanDerWaalsContact CG1-CE2 3.48Å; V42-F46 VanDerWaalsContact O-CD2 3.28Å; V42-F46 WeakPolarHBondContact O-CD2 3.45Å; V42-F46 PolarHBondContact O-N 2.95Å
43N78.6Confident74.5Confident0 Ų065 Ų650%037%0.374CS..Hα-helixtrans-56.5-49.4176.3167.167.6000112.6F29 S39 Q40 S45 F46 I47 A91 V94 I95 Y101F29-N43 WeakPolarHBondContact CE2-ND2 3.26Å; S39-N43 PolarHBondContact O-N 3.48Å; Q40-N43 PolarHBondContact O-N 2.95Å; N43-S45 PolarHBondContact O-N 2.94Å; N43-F46 PolarHBondContact O-N 3Å; N43-I47 PolarHBondContact O-N 3.26Å; N43-I47 VanDerWaalsContact O-N 3.07Å; N43-I47 WeakPolarHBondContact OD1-CD1 3.41Å; N43-A91 VanDerWaalsContact OD1-CA 3.29Å; N43-A91 WeakPolarHBondContact OD1-CA 3.26Å; N43-A91 VanDerWaalsContact OD1-CB 3.26Å; N43-A91 WeakPolarHBondContact OD1-CB 3.37Å; N43-A91 PolarHBondContact OD1-O 2.9Å; N43-V94 HydrophobicContact CB-CB 4.36Å; N43-V94 HydrophobicContact CB-CG1 4.05Å; N43-I95 HydrophobicContact CB-CG1 4.35Å; N43-I95 VanDerWaalsContact ND2-CD1 3.29Å; N43-I95 WeakPolarHBondContact ND2-CD1 3.48Å; N43-Y101 PolarHBondContact ND2-OH 3.22Å; N43-Y101 VanDerWaalsContact ND2-OH 3.12Å
44L78.5Confident76Confident28 Ų2859.7 Ų59.715%0.14735%0.346CS..Hα-helixtrans-58.6-41.2179.2-174.369000111L24 F29 Q40 V42 I47 I48L24-L44 HydrophobicContact CD2-CD1 4.44Å; F29-L44 HydrophobicContact CB-CB 4.46Å; F29-L44 HydrophobicContact CB-CD1 4.29Å; F29-L44 HydrophobicContact CB-CD2 4.11Å; F29-L44 HydrophobicContact CD2-CD1 4.47Å; Q40-L44 PolarHBondContact O-N 2.97Å; V42-L44 PolarHBondContact O-N 3.32Å; L44-I47 PolarHBondContact O-N 2.86Å; L44-I48 HydrophobicContact CD1-CD1 4.49Å; L44-I48 HydrophobicContact CD2-CD1 4.46Å; L44-I48 HydrophobicContact CG-CD1 3.94Å; L44-I48 VanDerWaalsContact O-CG1 3.24Å; L44-I48 WeakPolarHBondContact O-CG1 3.32Å; L44-I48 PolarHBondContact O-N 3.5Å
45S81Confident77.7Confident53 Ų5359.3 Ų59.337%0.37133%0.326SS..Hα-helixtrans-62.2-46.1178-54.60000111.6K41 V42 N43 I47 I48 I49K41-S45 WeakPolarHBondContact O-CB 3.39Å; K41-S45 PolarHBondContact O-N 3.44Å; K41-S45 VanDerWaalsContact O-N 3.08Å; K41-S45 PolarHBondContact O-OG 3.46Å; V42-S45 WeakPolarHBondContact O-CB 3.43Å; V42-S45 PolarHBondContact O-N 3.32Å; N43-S45 PolarHBondContact O-N 2.94Å; S45-I47 VanDerWaalsContact C-N 3.32Å; S45-I47 PolarHBondContact O-N 3.3Å; S45-I48 PolarHBondContact O-N 3.37Å; S45-I49 WeakPolarHBondContact O-CB 3.43Å; S45-I49 WeakPolarHBondContact O-CD1 3.48Å; S45-I49 WeakPolarHBondContact O-CG1 3.32Å; S45-I49 PolarHBondContact O-N 3.37Å
46F83.6Confident79.3Confident62 Ų6254.7 Ų54.727%0.27230%0.304SS..Hα-helixtrans-63.1-35.7178.2-85.4-72.2000113.1V42 N43 I49 G50 I90 A91V42-F46 HydrophobicContact CG1-CD2 3.61Å; V42-F46 HydrophobicContact CG1-CE2 3.48Å; V42-F46 VanDerWaalsContact CG1-CE2 3.48Å; V42-F46 VanDerWaalsContact O-CD2 3.28Å; V42-F46 WeakPolarHBondContact O-CD2 3.45Å; V42-F46 PolarHBondContact O-N 2.95Å; N43-F46 PolarHBondContact O-N 3Å; F46-I49 PolarHBondContact O-N 3.47Å; F46-G50 PolarHBondContact O-N 2.94Å; F46-I90 HydrophobicContact CD1-CB 4.45Å; F46-I90 HydrophobicContact CD1-CD1 4.45Å; F46-I90 HydrophobicContact CD1-CG2 4.19Å; F46-I90 HydrophobicContact CD2-CG2 3.84Å; F46-I90 HydrophobicContact CE1-CD1 4.04Å; F46-I90 HydrophobicContact CE1-CG2 4.16Å; F46-I90 HydrophobicContact CE2-CG2 3.8Å; F46-I90 HydrophobicContact CG-CG2 4.05Å; F46-I90 HydrophobicContact CZ-CG2 3.98Å; F46-A91 HydrophobicContact CB-CB 4.29Å
47I83.5Confident80.4Confident0 Ų051.9 Ų51.90%029%0.287CS..Hα-helixtrans-74.5-38.4178.6-68.4170.2000111.4L24 N43 L44 S45 I49 G50 T51 F88 A91 Y101 L105L24-I47 HydrophobicContact CD2-CB 4.16Å; L24-I47 HydrophobicContact CD2-CG2 3.44Å; L24-I47 VanDerWaalsContact CD2-CG2 3.44Å; L24-I47 HydrophobicContact CG-CG2 3.81Å; N43-I47 PolarHBondContact O-N 3.26Å; N43-I47 VanDerWaalsContact O-N 3.07Å; N43-I47 WeakPolarHBondContact OD1-CD1 3.41Å; L44-I47 PolarHBondContact O-N 2.86Å; S45-I47 VanDerWaalsContact C-N 3.32Å; S45-I47 PolarHBondContact O-N 3.3Å; I47-I49 VanDerWaalsContact C-N 3.33Å; I47-G50 PolarHBondContact O-N 3.48Å; I47-T51 VanDerWaalsContact O-CB 3.3Å; I47-T51 WeakPolarHBondContact O-CB 3.37Å; I47-T51 PolarHBondContact O-N 2.91Å; I47-T51 PolarHBondContact O-OG1 3.47Å; I47-F88 HydrophobicContact CG2-CE1 4.33Å; I47-A91 HydrophobicContact CD1-CB 3.65Å; I47-A91 HydrophobicContact CG1-CB 3.35Å; I47-Y101 HydrophobicContact CD1-CE1 3.91Å; I47-Y101 HydrophobicContact CD1-CE2 4.48Å; I47-Y101 VanDerWaalsContact CD1-CZ 3.48Å; I47-Y101 WeakPolarHBondContact CD1-OH 3.45Å; I47-L105 HydrophobicContact CD1-CD1 3.47Å; I47-L105 VanDerWaalsContact CD1-CD1 3.47Å; I47-L105 HydrophobicContact CD1-CD2 3.76Å; I47-L105 HydrophobicContact CD1-CG 4.28Å; I47-L105 HydrophobicContact CG1-CD1 3.8Å; I47-L105 HydrophobicContact CG2-CD1 4.26Å
48I84.9Confident81.1Confident72 Ų7248.7 Ų48.737%0.36927%0.269SS..Hα-helixtrans-59.6-48.6172.5-68.2166.8000109.2L24 L44 S45 G50 T51 V52L24-I48 HydrophobicContact CD2-CG1 3.64Å; L44-I48 HydrophobicContact CD1-CD1 4.49Å; L44-I48 HydrophobicContact CD2-CD1 4.46Å; L44-I48 HydrophobicContact CG-CD1 3.94Å; L44-I48 VanDerWaalsContact O-CG1 3.24Å; L44-I48 WeakPolarHBondContact O-CG1 3.32Å; L44-I48 PolarHBondContact O-N 3.5Å; S45-I48 PolarHBondContact O-N 3.37Å; I48-G50 PolarHBondContact O-N 2.91Å; I48-T51 PolarHBondContact O-N 3.24Å; I48-V52 HydrophobicContact CG2-CG2 4.41Å; I48-V52 VanDerWaalsContact O-CG2 3.29Å; I48-V52 WeakPolarHBondContact O-CG2 2.94Å; I48-V52 PolarHBondContact O-N 3.49Å
49I86Confident81.8Confident86 Ų8647.2 Ų47.244%0.44126%0.255SS..Hα-helixtrans-60.9-46.6178.3-66.4162000110.9S45 F46 I47 T51 V52 L53S45-I49 WeakPolarHBondContact O-CB 3.43Å; S45-I49 WeakPolarHBondContact O-CD1 3.48Å; S45-I49 WeakPolarHBondContact O-CG1 3.32Å; S45-I49 PolarHBondContact O-N 3.37Å; F46-I49 PolarHBondContact O-N 3.47Å; I47-I49 VanDerWaalsContact C-N 3.33Å; I49-T51 VanDerWaalsContact C-N 3.3Å; I49-T51 PolarHBondContact O-N 3.2Å; I49-V52 PolarHBondContact O-N 3.19Å; I49-L53 HydrophobicContact CG2-CD1 4.03Å; I49-L53 WeakPolarHBondContact O-CB 3.41Å; I49-L53 WeakPolarHBondContact O-CG 3.5Å; I49-L53 PolarHBondContact O-N 2.95Å
50G83Confident82.3Confident0 Ų045.3 Ų45.30%024%0.24CC..Hα-helixtrans-60.9-38177.400000113F46 I47 I48 L54F46-G50 PolarHBondContact O-N 2.94Å; I47-G50 PolarHBondContact O-N 3.48Å; I48-G50 PolarHBondContact O-N 2.91Å; G50-L54 PolarHBondContact O-N 2.96Å
51T83.8Confident82.6Confident4 Ų442.3 Ų42.33%0.02523%0.226CC..Hα-helixtrans-72-41.2177.6-55.60000111.5A20 V21 L24 I47 I48 I49 L53 L54 I55A20-T51 HydrophobicContact CB-CG2 3.95Å; V21-T51 HydrophobicContact CG2-CG2 4.18Å; L24-T51 HydrophobicContact CD1-CG2 3.71Å; L24-T51 WeakPolarHBondContact CD1-OG1 3.44Å; I47-T51 VanDerWaalsContact O-CB 3.3Å; I47-T51 WeakPolarHBondContact O-CB 3.37Å; I47-T51 PolarHBondContact O-N 2.91Å; I47-T51 PolarHBondContact O-OG1 3.47Å; I48-T51 PolarHBondContact O-N 3.24Å; I49-T51 VanDerWaalsContact C-N 3.3Å; I49-T51 PolarHBondContact O-N 3.2Å; T51-L53 VanDerWaalsContact C-N 3.32Å; T51-L53 PolarHBondContact O-N 3.33Å; T51-L54 WeakPolarHBondContact O-CB 3.41Å; T51-L54 PolarHBondContact O-N 3.43Å; T51-I55 HydrophobicContact CG2-CD1 4.07Å; T51-I55 VanDerWaalsContact O-CG1 3.31Å; T51-I55 WeakPolarHBondContact O-CG1 3.48Å; T51-I55 PolarHBondContact O-N 2.9Å
52V87.5Confident82.9Confident82 Ų8239.6 Ų39.650%0.49722%0.218SC..Hα-helixtrans-60.9-44.4174.1170.40000110.3I48 I49 L54 I55 V56I48-V52 HydrophobicContact CG2-CG2 4.41Å; I48-V52 VanDerWaalsContact O-CG2 3.29Å; I48-V52 WeakPolarHBondContact O-CG2 2.94Å; I48-V52 PolarHBondContact O-N 3.49Å; I49-V52 PolarHBondContact O-N 3.19Å; V52-L54 VanDerWaalsContact C-N 3.32Å; V52-L54 PolarHBondContact O-N 2.97Å; V52-I55 PolarHBondContact O-N 3.42Å; V52-V56 WeakPolarHBondContact O-CG2 3.25Å; V52-V56 PolarHBondContact O-N 3.44Å
53L86.6Confident83.1Confident30 Ų3040 Ų4016%0.15722%0.217CC..Hα-helixtrans-59.6-42174.5-74.4167.4000111.8I49 T51 I55 V56 A57 L80 L83 A84I49-L53 HydrophobicContact CG2-CD1 4.03Å; I49-L53 WeakPolarHBondContact O-CB 3.41Å; I49-L53 WeakPolarHBondContact O-CG 3.5Å; I49-L53 PolarHBondContact O-N 2.95Å; T51-L53 VanDerWaalsContact C-N 3.32Å; T51-L53 PolarHBondContact O-N 3.33Å; L53-I55 PolarHBondContact O-N 3.49Å; L53-V56 PolarHBondContact O-N 3.25Å; L53-A57 WeakPolarHBondContact O-CB 3.33Å; L53-A57 PolarHBondContact O-N 3.24Å; L53-L80 HydrophobicContact CD2-CD2 4.49Å; L53-L80 HydrophobicContact CD2-CG 4.2Å; L53-L80 WeakPolarHBondContact O-CD2 3.46Å; L53-L83 HydrophobicContact CD1-CB 4.26Å; L53-L83 HydrophobicContact CD1-CD2 3.73Å; L53-L83 HydrophobicContact CD1-CG 3.92Å; L53-L83 HydrophobicContact CD2-CD2 4.1Å; L53-A84 HydrophobicContact CB-CB 4.17Å
54L84.4Confident82.8Confident0 Ų041.7 Ų41.70%023%0.227CC..Hα-helixtrans-62.6-41.1174.6-94.4178000113.3A16 V17 A20 G50 T51 V52 A57 A58 L81 A84 F88 T112A16-L54 HydrophobicContact CB-CD1 4.34Å; A16-L54 HydrophobicContact CB-CD2 4.19Å; V17-L54 HydrophobicContact CG2-CB 4.28Å; A20-L54 HydrophobicContact CB-CD1 3.85Å; G50-L54 PolarHBondContact O-N 2.96Å; T51-L54 WeakPolarHBondContact O-CB 3.41Å; T51-L54 PolarHBondContact O-N 3.43Å; V52-L54 VanDerWaalsContact C-N 3.32Å; V52-L54 PolarHBondContact O-N 2.97Å; L54-A57 WeakPolarHBondContact O-CB 3.29Å; L54-A57 PolarHBondContact O-N 2.95Å; L54-A58 WeakPolarHBondContact O-CB 3.44Å; L54-A58 PolarHBondContact O-N 2.93Å; L54-L81 HydrophobicContact CD2-CD2 3.8Å; L54-A84 HydrophobicContact CG-CB 4.24Å; L54-F88 HydrophobicContact CD1-CE2 3.63Å; L54-F88 HydrophobicContact CD1-CZ 3.76Å; L54-F88 HydrophobicContact CG-CE2 4.24Å; L54-T112 HydrophobicContact CD1-CG2 3.54Å; L54-T112 HydrophobicContact CD2-CG2 3.64Å; L54-T112 HydrophobicContact CG-CG2 3.95Å
55I87.9Confident82.4Confident68 Ų6843.7 Ų43.735%0.34924%0.235SC..Hα-helixtrans-64-44.5177.6-69.1165.5000109.9V17 T51 V52 L53 A57 A58 I59V17-I55 HydrophobicContact CG1-CG1 3.97Å; T51-I55 HydrophobicContact CG2-CD1 4.07Å; T51-I55 VanDerWaalsContact O-CG1 3.31Å; T51-I55 WeakPolarHBondContact O-CG1 3.48Å; T51-I55 PolarHBondContact O-N 2.9Å; V52-I55 PolarHBondContact O-N 3.42Å; L53-I55 PolarHBondContact O-N 3.49Å; I55-A57 VanDerWaalsContact C-N 3.33Å; I55-A57 PolarHBondContact O-N 2.88Å; I55-A58 WeakPolarHBondContact O-CB 3.42Å; I55-A58 PolarHBondContact O-N 3.46Å; I55-I59 HydrophobicContact CG2-CD1 4.03Å; I55-I59 WeakPolarHBondContact O-CG1 3.44Å; I55-I59 PolarHBondContact O-N 3.33Å
56V86.2Confident82Confident64 Ų6447.8 Ų47.839%0.38825%0.251SS..Hα-helixtrans-62-42.7175.4176.70000110.6V52 L53 A58 I59 L60 L80V52-V56 WeakPolarHBondContact O-CG2 3.25Å; V52-V56 PolarHBondContact O-N 3.44Å; L53-V56 PolarHBondContact O-N 3.25Å; V56-A58 PolarHBondContact O-N 2.94Å; V56-I59 PolarHBondContact O-N 3.3Å; V56-L60 HydrophobicContact CG1-CD1 4.35Å; V56-L60 WeakPolarHBondContact O-CG 3.34Å; V56-L60 PolarHBondContact O-N 3.49Å; V56-L80 HydrophobicContact CB-CD2 3.88Å; V56-L80 HydrophobicContact CG1-CD2 3.65Å
57A82.5Confident81.1Confident0 Ų051.4 Ų51.40%027%0.267CS..Hα-helixtrans-58.5-47.6174.800000110.9I13 L53 L54 I55 I59 L60 V61 L80 L81I13-A57 HydrophobicContact CD1-CB 3.99Å; L53-A57 WeakPolarHBondContact O-CB 3.33Å; L53-A57 PolarHBondContact O-N 3.24Å; L54-A57 WeakPolarHBondContact O-CB 3.29Å; L54-A57 PolarHBondContact O-N 2.95Å; I55-A57 VanDerWaalsContact C-N 3.33Å; I55-A57 PolarHBondContact O-N 2.88Å; A57-I59 VanDerWaalsContact C-N 3.32Å; A57-I59 PolarHBondContact O-N 2.71Å; A57-L60 WeakPolarHBondContact O-CB 3.26Å; A57-L60 PolarHBondContact O-N 3.37Å; A57-L60 VanDerWaalsContact O-N 3.09Å; A57-V61 VanDerWaalsContact O-CG2 3.31Å; A57-V61 WeakPolarHBondContact O-CG2 3.31Å; A57-V61 PolarHBondContact O-N 2.87Å; A57-L80 HydrophobicContact CB-CB 4.29Å; A57-L80 HydrophobicContact CB-CD2 4.01Å; A57-L81 HydrophobicContact CB-CD2 4.48Å
58A83.7Confident80Confident13 Ų1359.8 Ų59.811%0.10730%0.3CS..Hα-helixtrans-58.1-41.9177.300000112.5I13 V17 L54 I55 V56 V61 I62I13-A58 HydrophobicContact CD1-CB 4.36Å; I13-A58 HydrophobicContact CG1-CB 4.08Å; I13-A58 HydrophobicContact CG2-CB 4.28Å; V17-A58 HydrophobicContact CG2-CB 3.96Å; L54-A58 WeakPolarHBondContact O-CB 3.44Å; L54-A58 PolarHBondContact O-N 2.93Å; I55-A58 WeakPolarHBondContact O-CB 3.42Å; I55-A58 PolarHBondContact O-N 3.46Å; V56-A58 PolarHBondContact O-N 2.94Å; A58-V61 WeakPolarHBondContact O-CB 3.33Å; A58-V61 PolarHBondContact O-N 2.9Å; A58-I62 WeakPolarHBondContact O-CG1 3.48Å; A58-I62 PolarHBondContact O-N 3.28Å; A58-I62 VanDerWaalsContact O-N 3.1Å
59I85.4Confident78.8Confident88 Ų8862.3 Ų62.345%0.45131%0.314SS..Hα-helixtrans-63.4-43175.4-65.2163.5000110.7I55 V56 A57 V61 I62 I63I55-I59 HydrophobicContact CG2-CD1 4.03Å; I55-I59 WeakPolarHBondContact O-CG1 3.44Å; I55-I59 PolarHBondContact O-N 3.33Å; V56-I59 PolarHBondContact O-N 3.3Å; A57-I59 VanDerWaalsContact C-N 3.32Å; A57-I59 PolarHBondContact O-N 2.71Å; I59-V61 VanDerWaalsContact C-N 3.3Å; I59-V61 PolarHBondContact O-N 2.91Å; I59-I62 PolarHBondContact O-N 3.31Å; I59-I62 VanDerWaalsContact O-N 3.17Å; I59-I63 HydrophobicContact CG2-CD1 3.88Å; I59-I63 HydrophobicContact CG2-CG1 4.44Å; I59-I63 WeakPolarHBondContact O-CG1 3.41Å; I59-I63 PolarHBondContact O-N 2.9Å
60L81.2Confident77.7Confident29 Ų2961.3 Ų61.315%0.15231%0.312CS..Hα-helixtrans-62.5-36.5176.3-68.5171.9000112.1V56 A57 I63 T64 F73 V76 I77 L80V56-L60 HydrophobicContact CG1-CD1 4.35Å; V56-L60 WeakPolarHBondContact O-CG 3.34Å; V56-L60 PolarHBondContact O-N 3.49Å; A57-L60 WeakPolarHBondContact O-CB 3.26Å; A57-L60 PolarHBondContact O-N 3.37Å; A57-L60 VanDerWaalsContact O-N 3.09Å; L60-I63 PolarHBondContact O-N 3.29Å; L60-T64 WeakPolarHBondContact O-CB 3.49Å; L60-T64 PolarHBondContact O-N 2.96Å; L60-T64 PolarHBondContact O-OG1 3.23Å; L60-F73 HydrophobicContact CD2-CD1 4.19Å; L60-F73 HydrophobicContact CD2-CE1 4.43Å; L60-V76 HydrophobicContact CD1-CG1 3.91Å; L60-I77 HydrophobicContact CB-CD1 4.12Å; L60-I77 HydrophobicContact CB-CG1 3.79Å; L60-I77 HydrophobicContact CD1-CG1 4.32Å; L60-L80 HydrophobicContact CD1-CD2 4.2Å
61V77.3Confident77.1Confident4 Ų466.4 Ų66.42%0.02434%0.337CS..Hα-helixtrans-60.5-47.1173.1-179.30000110.5Y9 I13 A57 A58 I59 I63 T64 F65 I77Y9-V61 HydrophobicContact CD1-CB 4.5Å; Y9-V61 HydrophobicContact CD1-CG1 3.56Å; Y9-V61 HydrophobicContact CD1-CG2 4.08Å; Y9-V61 HydrophobicContact CE1-CB 4.05Å; Y9-V61 HydrophobicContact CE1-CG1 3.58Å; Y9-V61 HydrophobicContact CE1-CG2 3.22Å; I13-V61 HydrophobicContact CD1-CG2 3.75Å; I13-V61 HydrophobicContact CG2-CG2 4.37Å; A57-V61 VanDerWaalsContact O-CG2 3.31Å; A57-V61 WeakPolarHBondContact O-CG2 3.31Å; A57-V61 PolarHBondContact O-N 2.87Å; A58-V61 WeakPolarHBondContact O-CB 3.33Å; A58-V61 PolarHBondContact O-N 2.9Å; I59-V61 VanDerWaalsContact C-N 3.3Å; I59-V61 PolarHBondContact O-N 2.91Å; V61-I63 VanDerWaalsContact C-N 3.31Å; V61-I63 PolarHBondContact O-N 2.93Å; V61-T64 WeakPolarHBondContact O-CB 3.35Å; V61-T64 PolarHBondContact O-N 2.96Å; V61-T64 VanDerWaalsContact O-N 3.13Å; V61-F65 HydrophobicContact CG1-CD2 4.29Å; V61-F65 HydrophobicContact CG1-CE2 4.18Å; V61-F65 WeakPolarHBondContact O-CD2 3.31Å; V61-F65 PolarHBondContact O-N 3.48Å; V61-F65 VanDerWaalsContact O-N 3.11Å; V61-I77 HydrophobicContact CG2-CD1 4.26Å; V61-I77 HydrophobicContact CG2-CG2 4.42Å
62I80.4Confident76.7Confident90 Ų9070.8 Ų70.846%0.46236%0.363SS..Hα-helixtrans-61.4-40.4178.3-64.4165.7000110.9A58 I59 T64 F65A58-I62 WeakPolarHBondContact O-CG1 3.48Å; A58-I62 PolarHBondContact O-N 3.28Å; A58-I62 VanDerWaalsContact O-N 3.1Å; I59-I62 PolarHBondContact O-N 3.31Å; I59-I62 VanDerWaalsContact O-N 3.17Å; I62-T64 VanDerWaalsContact C-N 3.33Å; I62-T64 PolarHBondContact O-N 3.3Å; I62-F65 WeakPolarHBondContact O-CB 3.43Å; I62-F65 PolarHBondContact O-N 3.45Å
63I79Confident76.1Confident67 Ų6770 Ų7034%0.34435%0.354SS..Hα-helixtrans-65-39.1175.9-65.7166000111.2I59 L60 V61 F65 I66 K67I59-I63 HydrophobicContact CG2-CD1 3.88Å; I59-I63 HydrophobicContact CG2-CG1 4.44Å; I59-I63 WeakPolarHBondContact O-CG1 3.41Å; I59-I63 PolarHBondContact O-N 2.9Å; L60-I63 PolarHBondContact O-N 3.29Å; V61-I63 VanDerWaalsContact C-N 3.31Å; V61-I63 PolarHBondContact O-N 2.93Å; I63-F65 PolarHBondContact O-N 3.5Å; I63-I66 PolarHBondContact O-N 2.94Å; I63-K67 PolarHBondContact O-N 3.48Å
64T73.5Confident75.5Confident36 Ų3670 Ų7022%0.22135%0.353CS..Hα-helixtrans-66-21.1177-51.90000112.3L60 V61 I62L60-T64 WeakPolarHBondContact O-CB 3.49Å; L60-T64 PolarHBondContact O-N 2.96Å; L60-T64 PolarHBondContact O-OG1 3.23Å; V61-T64 WeakPolarHBondContact O-CB 3.35Å; V61-T64 PolarHBondContact O-N 2.96Å; V61-T64 VanDerWaalsContact O-N 3.13Å; I62-T64 VanDerWaalsContact C-N 3.33Å; I62-T64 PolarHBondContact O-N 3.3Å
65F70.2Confident75.4Confident70 Ų7074.1 Ų74.131%0.30737%0.374SS..Hα-helixtrans-71.6-34.2169.1-94.5-92.5000112.9V2 K6 L10 V61 I62 I63V2-F65 HydrophobicContact CG1-CE1 3.9Å; K6-F65 HydrophobicContact CB-CE1 3.94Å; K6-F65 HydrophobicContact CB-CE2 4.16Å; K6-F65 HydrophobicContact CB-CZ 3.52Å; K6-F65 VanDerWaalsContact O-CZ 3.31Å; K6-F65 WeakPolarHBondContact O-CZ 3.2Å; L10-F65 HydrophobicContact CB-CE2 4.05Å; L10-F65 HydrophobicContact CB-CZ 4.27Å; L10-F65 HydrophobicContact CD1-CD2 4.25Å; L10-F65 HydrophobicContact CD1-CE2 3.77Å; L10-F65 HydrophobicContact CD1-CZ 4.01Å; L10-F65 HydrophobicContact CG-CE2 4.45Å; V61-F65 HydrophobicContact CG1-CD2 4.29Å; V61-F65 HydrophobicContact CG1-CE2 4.18Å; V61-F65 WeakPolarHBondContact O-CD2 3.31Å; V61-F65 PolarHBondContact O-N 3.48Å; V61-F65 VanDerWaalsContact O-N 3.11Å; I62-F65 WeakPolarHBondContact O-CB 3.43Å; I62-F65 PolarHBondContact O-N 3.45Å; I63-F65 PolarHBondContact O-N 3.5Å
66I72.1Confident75.1Confident139 Ų13973.7 Ų73.771%0.71338%0.375SS*.Hα-helixtrans-83.1-40-176.6-60.8171.5000110.9I63I63-I66 PolarHBondContact O-N 2.94Å
67K64.3Low75Confident138 Ų13870.9 Ų70.960%0.636%0.358SS*.SBendtrans-99.4116.4177.7-76.2-166.3166.1-173.30110.2I63 D69I63-K67 PolarHBondContact O-N 3.48Å; K67-D69 VanDerWaalsContact C-N 3.26Å; K67-D69 PolarHBondContact O-N 2.87Å
68Y60.9Low75.1Confident176 Ų17672.7 Ų72.769%0.6937%0.367SS*.  trans-66.9-20.8-166-148.1-94.4000114.7
69D58.1Low75.3Confident124 Ų12476.5 Ų76.566%0.66339%0.389SS*.  trans-160.6126.5-176.3-126.1-42.1000113.7K67K67-D69 VanDerWaalsContact C-N 3.26Å; K67-D69 PolarHBondContact O-N 2.87Å
70T64.7Low75.3Confident66 Ų6673.8 Ų73.841%0.40538%0.375SS..  trans-171.399.1155.88.40000105.2V72 F73T70-V72 PolarHBondContact O-N 3.38Å; T70-F73 VanDerWaalsContact CB-CD2 3.46Å; T70-F73 HydrophobicContact CG2-CD2 4.46Å; T70-F73 HydrophobicContact CG2-CE2 4.36Å; T70-F73 PolarHBondContact O-N 3.15Å; T70-F73 WeakPolarHBondContact OG1-CD2 3.49Å; T70-F73 WeakPolarHBondContact OG1-CE2 3.36Å
71M69.9Low75.5Confident107 Ų10772.4 Ų72.453%0.52737%0.367SS..Hα-helixtrans-43.8-29.5174.4-67.1-177.6173.500112.8F73 M74 I75M71-F73 PolarHBondContact O-N 3.25Å; M71-M74 WeakPolarHBondContact O-CB 3.49Å; M71-M74 PolarHBondContact O-N 3.48Å; M71-I75 WeakPolarHBondContact O-CG1 3.26Å; M71-I75 PolarHBondContact O-N 3.3Å; M71-I75 VanDerWaalsContact O-N 3.11Å
72V76Confident75.9Confident95 Ų9573.3 Ų73.358%0.57638%0.378SS*.Hα-helixtrans-54.9-45.9173.2-173.10000112.8T70 M74 I75 V76T70-V72 PolarHBondContact O-N 3.38Å; V72-M74 VanDerWaalsContact C-N 3.3Å; V72-M74 PolarHBondContact O-N 2.84Å; V72-I75 PolarHBondContact O-N 3.39Å; V72-V76 HydrophobicContact CG1-CG2 4.4Å; V72-V76 VanDerWaalsContact O-CG2 3.25Å; V72-V76 WeakPolarHBondContact O-CG2 3.38Å; V72-V76 PolarHBondContact O-N 2.83Å
73F74.2Confident76.3Confident66 Ų6673.2 Ų73.229%0.28938%0.378SS..Hα-helixtrans-64.4-38.2179.5-73.7-89.4000111.5L60 T70 M71 V76 I77L60-F73 HydrophobicContact CD2-CD1 4.19Å; L60-F73 HydrophobicContact CD2-CE1 4.43Å; T70-F73 VanDerWaalsContact CB-CD2 3.46Å; T70-F73 HydrophobicContact CG2-CD2 4.46Å; T70-F73 HydrophobicContact CG2-CE2 4.36Å; T70-F73 PolarHBondContact O-N 3.15Å; T70-F73 WeakPolarHBondContact OG1-CD2 3.49Å; T70-F73 WeakPolarHBondContact OG1-CE2 3.36Å; M71-F73 PolarHBondContact O-N 3.25Å; F73-V76 PolarHBondContact O-N 3.23Å; F73-I77 WeakPolarHBondContact O-CB 3.44Å; F73-I77 WeakPolarHBondContact O-CD1 3.41Å; F73-I77 WeakPolarHBondContact O-CG1 3.28Å; F73-I77 PolarHBondContact O-N 2.93Å
74M74.5Confident76.5Confident30 Ų3070 Ų7015%0.14836%0.361CS..Hα-helixtrans-62.3-44.8176.5-76.9-162.459.900112.1M71 V72 V76 I77 I78 A119 I122 W123M71-M74 WeakPolarHBondContact O-CB 3.49Å; M71-M74 PolarHBondContact O-N 3.48Å; V72-M74 VanDerWaalsContact C-N 3.3Å; V72-M74 PolarHBondContact O-N 2.84Å; M74-V76 VanDerWaalsContact C-N 3.33Å; M74-V76 PolarHBondContact O-N 2.89Å; M74-I77 PolarHBondContact O-N 3.34Å; M74-I78 WeakPolarHBondContact O-CG1 3.32Å; M74-I78 PolarHBondContact O-N 3.39Å; M74-A119 WeakPolarHBondContact CE-O 3.4Å; M74-I122 HydrophobicContact CE-CB 4.05Å; M74-I122 HydrophobicContact CE-CG2 3.76Å; M74-I122 HydrophobicContact SD-CG2 4.09Å; M74-W123 HydrophobicContact CE-CB 3.47Å; M74-W123 VanDerWaalsContact CE-CB 3.47Å; M74-W123 HydrophobicContact CE-CG 4.16Å; M74-W123 VanDerWaalsContact CE-N 3.27Å
75I81Confident77.2Confident86 Ų8669.3 Ų69.344%0.44136%0.356SS..Hα-helixtrans-61.1-45.6175.9-65.3163.8000110M71 V72 I77 I78 V79M71-I75 WeakPolarHBondContact O-CG1 3.26Å; M71-I75 PolarHBondContact O-N 3.3Å; M71-I75 VanDerWaalsContact O-N 3.11Å; V72-I75 PolarHBondContact O-N 3.39Å; I75-I77 VanDerWaalsContact C-N 3.3Å; I75-I77 PolarHBondContact O-N 2.98Å; I75-I78 PolarHBondContact O-N 2.88Å; I75-V79 HydrophobicContact CG2-CG2 4.4Å; I75-V79 VanDerWaalsContact O-CG2 3.32Å; I75-V79 WeakPolarHBondContact O-CG2 3.45Å; I75-V79 PolarHBondContact O-N 3.32Å
76V83.3Confident78Confident59 Ų5970.6 Ų70.636%0.35837%0.366SS..Hα-helixtrans-59.6-41.51781730000111.3L60 V72 F73 M74 V79 L80L60-V76 HydrophobicContact CD1-CG1 3.91Å; V72-V76 HydrophobicContact CG1-CG2 4.4Å; V72-V76 VanDerWaalsContact O-CG2 3.25Å; V72-V76 WeakPolarHBondContact O-CG2 3.38Å; V72-V76 PolarHBondContact O-N 2.83Å; F73-V76 PolarHBondContact O-N 3.23Å; M74-V76 VanDerWaalsContact C-N 3.33Å; M74-V76 PolarHBondContact O-N 2.89Å; V76-V79 PolarHBondContact O-N 3.45Å; V76-L80 HydrophobicContact CG1-CD1 4.11Å; V76-L80 WeakPolarHBondContact O-CB 3.49Å; V76-L80 PolarHBondContact O-N 3.43Å
77I82.9Confident78.5Confident6 Ų664.6 Ų64.63%0.03134%0.336CS..Hα-helixtrans-64-44.4177.3-70.5161.4000111.2Y9 L60 V61 F73 M74 I75 V79 L80 L81Y9-I77 WeakPolarHBondContact OH-CG2 3.2Å; L60-I77 HydrophobicContact CB-CD1 4.12Å; L60-I77 HydrophobicContact CB-CG1 3.79Å; L60-I77 HydrophobicContact CD1-CG1 4.32Å; V61-I77 HydrophobicContact CG2-CD1 4.26Å; V61-I77 HydrophobicContact CG2-CG2 4.42Å; F73-I77 WeakPolarHBondContact O-CB 3.44Å; F73-I77 WeakPolarHBondContact O-CD1 3.41Å; F73-I77 WeakPolarHBondContact O-CG1 3.28Å; F73-I77 PolarHBondContact O-N 2.93Å; M74-I77 PolarHBondContact O-N 3.34Å; I75-I77 VanDerWaalsContact C-N 3.3Å; I75-I77 PolarHBondContact O-N 2.98Å; I77-V79 VanDerWaalsContact C-N 3.33Å; I77-V79 PolarHBondContact O-N 3.26Å; I77-L80 PolarHBondContact O-N 3.32Å; I77-L81 HydrophobicContact CG2-CD1 4.06Å; I77-L81 HydrophobicContact CG2-CG 4.49Å; I77-L81 WeakPolarHBondContact O-CB 3.48Å; I77-L81 WeakPolarHBondContact O-CG 3.42Å; I77-L81 PolarHBondContact O-N 3.36Å
78I85Confident79.3Confident38 Ų3858 Ų5820%0.19531%0.307CS..Hα-helixtrans-61.5-44.2177.4-67.8166.3000110.4M74 I75 L81 G82 A119 I120 W123M74-I78 WeakPolarHBondContact O-CG1 3.32Å; M74-I78 PolarHBondContact O-N 3.39Å; I75-I78 PolarHBondContact O-N 2.88Å; I78-L81 PolarHBondContact O-N 2.97Å; I78-G82 PolarHBondContact O-N 3.5Å; I78-A119 HydrophobicContact CG1-CB 4.03Å; I78-I120 HydrophobicContact CD1-CG1 4.33Å; I78-W123 HydrophobicContact CD1-CB 4.31Å; I78-W123 HydrophobicContact CD1-CG 4.41Å
79V86.7Confident80.5Confident93 Ų9353.1 Ų53.156%0.56429%0.292SS*.Hα-helixtrans-63.8-43.2177.4174.30000111.1I75 V76 I77 L81 G82 L83I75-V79 HydrophobicContact CG2-CG2 4.4Å; I75-V79 VanDerWaalsContact O-CG2 3.32Å; I75-V79 WeakPolarHBondContact O-CG2 3.45Å; I75-V79 PolarHBondContact O-N 3.32Å; V76-V79 PolarHBondContact O-N 3.45Å; I77-V79 VanDerWaalsContact C-N 3.33Å; I77-V79 PolarHBondContact O-N 3.26Å; V79-L81 PolarHBondContact O-N 2.94Å; V79-G82 PolarHBondContact O-N 3.38Å; V79-L83 WeakPolarHBondContact O-CB 3.3Å; V79-L83 PolarHBondContact O-N 2.85Å
80L86.3Confident81.7Confident30 Ų3050.5 Ų50.516%0.15728%0.278CS..Hα-helixtrans-62-43.4176.7-114.881.8000112.1L53 V56 A57 L60 V76 I77 L83 A84L53-L80 HydrophobicContact CD2-CD2 4.49Å; L53-L80 HydrophobicContact CD2-CG 4.2Å; L53-L80 WeakPolarHBondContact O-CD2 3.46Å; V56-L80 HydrophobicContact CB-CD2 3.88Å; V56-L80 HydrophobicContact CG1-CD2 3.65Å; A57-L80 HydrophobicContact CB-CB 4.29Å; A57-L80 HydrophobicContact CB-CD2 4.01Å; L60-L80 HydrophobicContact CD1-CD2 4.2Å; V76-L80 HydrophobicContact CG1-CD1 4.11Å; V76-L80 WeakPolarHBondContact O-CB 3.49Å; V76-L80 PolarHBondContact O-N 3.43Å; I77-L80 PolarHBondContact O-N 3.32Å; L80-L83 PolarHBondContact O-N 3.27Å; L80-A84 WeakPolarHBondContact O-CB 3.04Å; L80-A84 PolarHBondContact O-N 3.01Å
81L84.8Confident82.4Confident0 Ų047.4 Ų47.40%026%0.258CS..Hα-helixtrans-64.3-42.2176.8-75.9173000111.3Y9 I13 L54 A57 I77 I78 V79 L83 A84 I85 C115 L116 A119Y9-L81 WeakPolarHBondContact OH-CD1 3.42Å; I13-L81 HydrophobicContact CD1-CD2 4.34Å; L54-L81 HydrophobicContact CD2-CD2 3.8Å; A57-L81 HydrophobicContact CB-CD2 4.48Å; I77-L81 HydrophobicContact CG2-CD1 4.06Å; I77-L81 HydrophobicContact CG2-CG 4.49Å; I77-L81 WeakPolarHBondContact O-CB 3.48Å; I77-L81 WeakPolarHBondContact O-CG 3.42Å; I77-L81 PolarHBondContact O-N 3.36Å; I78-L81 PolarHBondContact O-N 2.97Å; V79-L81 PolarHBondContact O-N 2.94Å; L81-L83 VanDerWaalsContact C-N 3.33Å; L81-L83 PolarHBondContact O-N 2.9Å; L81-A84 PolarHBondContact O-N 3.36Å; L81-I85 VanDerWaalsContact O-CG1 3.28Å; L81-I85 WeakPolarHBondContact O-CG1 3.39Å; L81-I85 PolarHBondContact O-N 3.48Å; L81-C115 HydrophobicContact CD1-CB 4.21Å; L81-C115 HydrophobicContact CD2-CB 4.28Å; L81-L116 HydrophobicContact CB-CB 4.33Å; L81-L116 HydrophobicContact CB-CD1 4.11Å; L81-L116 HydrophobicContact CD1-CB 4.34Å; L81-A119 HydrophobicContact CD1-CB 4.4Å
82G86.6Confident82.8Confident24 Ų2444.1 Ų44.125%0.24724%0.243CC..Hα-helixtrans-59.6-43.3174.200000112.2I78 V79 I85 L86I78-G82 PolarHBondContact O-N 3.5Å; V79-G82 PolarHBondContact O-N 3.38Å; G82-I85 PolarHBondContact O-N 3.31Å; G82-L86 WeakPolarHBondContact O-CG 3.42Å; G82-L86 PolarHBondContact O-N 2.92Å
83L87.4Confident83Confident87 Ų8745.1 Ų45.146%0.45525%0.249SC..Hα-helixtrans-67.1-38.8177.6-162.571.3000112.2L53 V79 L80 L81 L86 C87L53-L83 HydrophobicContact CD1-CB 4.26Å; L53-L83 HydrophobicContact CD1-CD2 3.73Å; L53-L83 HydrophobicContact CD1-CG 3.92Å; L53-L83 HydrophobicContact CD2-CD2 4.1Å; V79-L83 WeakPolarHBondContact O-CB 3.3Å; V79-L83 PolarHBondContact O-N 2.85Å; L80-L83 PolarHBondContact O-N 3.27Å; L81-L83 VanDerWaalsContact C-N 3.33Å; L81-L83 PolarHBondContact O-N 2.9Å; L83-L86 PolarHBondContact O-N 3.42Å; L83-C87 PolarHBondContact O-N 3.21Å; L83-C87 PolarHBondContact O-SG 3.19Å
84A84.2Confident82.9Confident0 Ų044.4 Ų44.40%025%0.25CC..Hα-helixtrans-63.4-43.3174.400000111.5L53 L54 L80 L81 L86 C87 F88L53-A84 HydrophobicContact CB-CB 4.17Å; L54-A84 HydrophobicContact CG-CB 4.24Å; L80-A84 WeakPolarHBondContact O-CB 3.04Å; L80-A84 PolarHBondContact O-N 3.01Å; L81-A84 PolarHBondContact O-N 3.36Å; A84-L86 PolarHBondContact O-N 3.12Å; A84-C87 WeakPolarHBondContact O-CB 3.24Å; A84-C87 PolarHBondContact O-N 3.01Å; A84-F88 HydrophobicContact CB-CE2 4.33Å; A84-F88 WeakPolarHBondContact O-CD2 3.32Å; A84-F88 PolarHBondContact O-N 3.39Å
85I87.3Confident82.5Confident21 Ų2144.2 Ų44.211%0.10825%0.249CC..Hα-helixtrans-59.7-46.7175.3-70.6162.4000110.5L81 G82 C87 F88 I89 T112 L116L81-I85 VanDerWaalsContact O-CG1 3.28Å; L81-I85 WeakPolarHBondContact O-CG1 3.39Å; L81-I85 PolarHBondContact O-N 3.48Å; G82-I85 PolarHBondContact O-N 3.31Å; I85-C87 VanDerWaalsContact C-N 3.29Å; I85-C87 PolarHBondContact O-N 3.37Å; I85-F88 PolarHBondContact O-N 3.48Å; I85-F88 VanDerWaalsContact O-N 3.12Å; I85-I89 HydrophobicContact CG2-CD1 3.68Å; I85-I89 HydrophobicContact CG2-CG1 4.24Å; I85-I89 VanDerWaalsContact O-CG1 3.3Å; I85-I89 WeakPolarHBondContact O-CG1 3.43Å; I85-I89 PolarHBondContact O-N 3.46Å; I85-T112 WeakPolarHBondContact CG1-OG1 3.49Å; I85-L116 HydrophobicContact CD1-CB 4.22Å; I85-L116 HydrophobicContact CD1-CD1 3.75Å
86L87.1Confident81.3Confident98 Ų9846.6 Ų46.651%0.51326%0.263SS..Hα-helixtrans-58.5-42176.1-73.3174.5000111.9G82 L83 A84 F88 I89 I90G82-L86 WeakPolarHBondContact O-CG 3.42Å; G82-L86 PolarHBondContact O-N 2.92Å; L83-L86 PolarHBondContact O-N 3.42Å; A84-L86 PolarHBondContact O-N 3.12Å; L86-F88 VanDerWaalsContact C-N 3.35Å; L86-F88 PolarHBondContact O-N 2.86Å; L86-I89 PolarHBondContact O-N 2.97Å; L86-I90 WeakPolarHBondContact O-CD1 3.43Å; L86-I90 VanDerWaalsContact O-CG1 3.24Å; L86-I90 WeakPolarHBondContact O-CG1 3.46Å; L86-I90 PolarHBondContact O-N 3Å
87C83.6Confident80.2Confident12 Ų1251.2 Ų51.28%0.08128%0.282CS..Hα-helixtrans-60.9-42.8175.3-67.10000111.9L83 A84 I85 A91L83-C87 PolarHBondContact O-N 3.21Å; L83-C87 PolarHBondContact O-SG 3.19Å; A84-C87 WeakPolarHBondContact O-CB 3.24Å; A84-C87 PolarHBondContact O-N 3.01Å; I85-C87 VanDerWaalsContact C-N 3.29Å; I85-C87 PolarHBondContact O-N 3.37Å; C87-A91 VanDerWaalsContact O-CB 3.3Å; C87-A91 WeakPolarHBondContact O-CB 3.3Å; C87-A91 PolarHBondContact O-N 3.19Å
88F81.5Confident79.4Confident0 Ų054.5 Ų54.50%030%0.3CS..Hα-helixtrans-68.4-35.6176.9-68.6-55.8000113.1A20 I47 L54 A84 I85 L86 A91 L92 L105 L109 T112A20-F88 HydrophobicContact CB-CZ 4.02Å; I47-F88 HydrophobicContact CG2-CE1 4.33Å; L54-F88 HydrophobicContact CD1-CE2 3.63Å; L54-F88 HydrophobicContact CD1-CZ 3.76Å; L54-F88 HydrophobicContact CG-CE2 4.24Å; A84-F88 HydrophobicContact CB-CE2 4.33Å; A84-F88 WeakPolarHBondContact O-CD2 3.32Å; A84-F88 PolarHBondContact O-N 3.39Å; I85-F88 PolarHBondContact O-N 3.48Å; I85-F88 VanDerWaalsContact O-N 3.12Å; L86-F88 VanDerWaalsContact C-N 3.35Å; L86-F88 PolarHBondContact O-N 2.86Å; F88-A91 PolarHBondContact O-N 3Å; F88-L92 WeakPolarHBondContact O-CG 3.19Å; F88-L92 PolarHBondContact O-N 3.18Å; F88-L105 HydrophobicContact CD1-CD1 3.71Å; F88-L105 HydrophobicContact CE1-CD1 4.19Å; F88-L109 HydrophobicContact CB-CB 4.39Å; F88-L109 HydrophobicContact CB-CD1 4.06Å; F88-T112 HydrophobicContact CD2-CG2 4.29Å; F88-T112 HydrophobicContact CE2-CG2 3.93Å
89I85.8Confident78.4Confident74 Ų7457.9 Ų57.938%0.37932%0.324SS..Hα-helixtrans-64.6-48.4174.9-67.9168.4000110.2I85 L86 A91 L92 V93 L109I85-I89 HydrophobicContact CG2-CD1 3.68Å; I85-I89 HydrophobicContact CG2-CG1 4.24Å; I85-I89 VanDerWaalsContact O-CG1 3.3Å; I85-I89 WeakPolarHBondContact O-CG1 3.43Å; I85-I89 PolarHBondContact O-N 3.46Å; L86-I89 PolarHBondContact O-N 2.97Å; I89-A91 VanDerWaalsContact C-N 3.27Å; I89-A91 PolarHBondContact O-N 3.3Å; I89-L92 WeakPolarHBondContact O-CB 3.48Å; I89-L92 PolarHBondContact O-N 2.75Å; I89-L92 VanDerWaalsContact O-N 3.16Å; I89-V93 WeakPolarHBondContact O-CG2 3.48Å; I89-V93 PolarHBondContact O-N 3.34Å; I89-L109 HydrophobicContact CG1-CD1 3.71Å
90I82.9Confident77.7Confident69 Ų6963.4 Ų63.435%0.35434%0.335SS..Hα-helixtrans-60.1-42.5178.4-65.5162.5000110.1F46 L86 L92 V93 V94F46-I90 HydrophobicContact CD1-CB 4.45Å; F46-I90 HydrophobicContact CD1-CD1 4.45Å; F46-I90 HydrophobicContact CD1-CG2 4.19Å; F46-I90 HydrophobicContact CD2-CG2 3.84Å; F46-I90 HydrophobicContact CE1-CD1 4.04Å; F46-I90 HydrophobicContact CE1-CG2 4.16Å; F46-I90 HydrophobicContact CE2-CG2 3.8Å; F46-I90 HydrophobicContact CG-CG2 4.05Å; F46-I90 HydrophobicContact CZ-CG2 3.98Å; L86-I90 WeakPolarHBondContact O-CD1 3.43Å; L86-I90 VanDerWaalsContact O-CG1 3.24Å; L86-I90 WeakPolarHBondContact O-CG1 3.46Å; L86-I90 PolarHBondContact O-N 3Å; I90-L92 PolarHBondContact O-N 3.39Å; I90-V93 PolarHBondContact O-N 3.35Å; I90-V94 HydrophobicContact CG2-CG2 4.41Å; I90-V94 VanDerWaalsContact O-CG2 3.25Å; I90-V94 WeakPolarHBondContact O-CG2 3.48Å; I90-V94 PolarHBondContact O-N 3.07Å
91A79.2Confident76.8Confident0 Ų062.1 Ų62.10%033%0.328CS..Hα-helixtrans-60.2-42.7175.900000113.2N43 F46 I47 C87 F88 I89 V93 V94 L105N43-A91 VanDerWaalsContact OD1-CA 3.29Å; N43-A91 WeakPolarHBondContact OD1-CA 3.26Å; N43-A91 VanDerWaalsContact OD1-CB 3.26Å; N43-A91 WeakPolarHBondContact OD1-CB 3.37Å; N43-A91 PolarHBondContact OD1-O 2.9Å; F46-A91 HydrophobicContact CB-CB 4.29Å; I47-A91 HydrophobicContact CD1-CB 3.65Å; I47-A91 HydrophobicContact CG1-CB 3.35Å; C87-A91 VanDerWaalsContact O-CB 3.3Å; C87-A91 WeakPolarHBondContact O-CB 3.3Å; C87-A91 PolarHBondContact O-N 3.19Å; F88-A91 PolarHBondContact O-N 3Å; I89-A91 VanDerWaalsContact C-N 3.27Å; I89-A91 PolarHBondContact O-N 3.3Å; A91-V93 PolarHBondContact O-N 3.08Å; A91-V94 PolarHBondContact O-N 2.75Å; A91-L105 HydrophobicContact CB-CD2 4.3Å
92L78.9Confident76.4Confident38 Ų3865.1 Ų65.120%0.19934%0.344CS..Hα-helixtrans-62.9-39.7175.7-82.4158.9000112.8F88 I89 I90 V94 L102 L105 L106 L109F88-L92 WeakPolarHBondContact O-CG 3.19Å; F88-L92 PolarHBondContact O-N 3.18Å; I89-L92 WeakPolarHBondContact O-CB 3.48Å; I89-L92 PolarHBondContact O-N 2.75Å; I89-L92 VanDerWaalsContact O-N 3.16Å; I90-L92 PolarHBondContact O-N 3.39Å; L92-V94 VanDerWaalsContact C-N 3.35Å; L92-L102 HydrophobicContact CD2-CD1 4.17Å; L92-L102 HydrophobicContact CD2-CG 3.95Å; L92-L105 HydrophobicContact CD2-CD2 3.81Å; L92-L105 HydrophobicContact CD2-CG 4.27Å; L92-L105 HydrophobicContact CG-CD2 3.69Å; L92-L105 HydrophobicContact CG-CG 4.15Å; L92-L106 HydrophobicContact CD1-CD1 4.4Å; L92-L109 HydrophobicContact CD1-CD1 3.5Å; L92-L109 VanDerWaalsContact CD1-CD1 3.5Å
93V79.2Confident76Confident117 Ų11765.9 Ų65.971%0.70935%0.352SS*.Hα-helixtrans-71.1-29.6-178173.40000112.4I89 I90 A91 I95I89-V93 WeakPolarHBondContact O-CG2 3.48Å; I89-V93 PolarHBondContact O-N 3.34Å; I90-V93 PolarHBondContact O-N 3.35Å; A91-V93 PolarHBondContact O-N 3.08Å; V93-I95 VanDerWaalsContact C-N 3.3Å; V93-I95 PolarHBondContact O-N 2.94Å
94V73.5Confident75.5Confident51 Ų5166.7 Ų66.731%0.30935%0.349SS..THydrogen-bonded Turntrans-80-10.7-175.6174.40000112.8S39 N43 I90 A91 L92S39-V94 WeakPolarHBondContact O-CG1 3.5Å; N43-V94 HydrophobicContact CB-CB 4.36Å; N43-V94 HydrophobicContact CB-CG1 4.05Å; I90-V94 HydrophobicContact CG2-CG2 4.41Å; I90-V94 VanDerWaalsContact O-CG2 3.25Å; I90-V94 WeakPolarHBondContact O-CG2 3.48Å; I90-V94 PolarHBondContact O-N 3.07Å; A91-V94 PolarHBondContact O-N 2.75Å; L92-V94 VanDerWaalsContact C-N 3.35Å
95I66.2Low75.3Confident26 Ų2666.7 Ų66.713%0.13335%0.349CS..  trans-96142.2-173.6-91.5175.8000114.2F29 N43 V93 Y101 L102F29-I95 HydrophobicContact CE2-CD1 4.16Å; F29-I95 HydrophobicContact CZ-CD1 4.24Å; N43-I95 HydrophobicContact CB-CG1 4.35Å; N43-I95 VanDerWaalsContact ND2-CD1 3.29Å; N43-I95 WeakPolarHBondContact ND2-CD1 3.48Å; V93-I95 VanDerWaalsContact C-N 3.3Å; V93-I95 PolarHBondContact O-N 2.94Å; I95-Y101 HydrophobicContact CD1-CD1 3.6Å; I95-Y101 HydrophobicContact CD1-CE1 3.21Å; I95-L102 HydrophobicContact CG2-CD1 3.97Å
96D55.8Low75.1Confident136 Ų13669.1 Ų69.173%0.72736%0.362SS*.  trans-106.2126.4153.9-103-51.2000110.9N98D96-N98 PolarHBondContact O-N 3.25Å
97M59.9Low74.9Confident156 Ų15666.3 Ų66.377%0.76835%0.353SS*.SBendtrans71.923.9140.3-57-83.7-16400122.1P99M97-P99 WeakPolarHBondContact O-CD 3.46Å
98N64.5Low74.8Confident75 Ų7565.7 Ų65.740%0.40135%0.349SS..  trans-10497.5164.6-92.731.2000112.8D96 R100 Y101 L102D96-N98 PolarHBondContact O-N 3.25Å; N98-R100 PolarHBondContact O-N 2.66Å; N98-Y101 PolarHBondContact O-N 3.42Å; N98-L102 WeakPolarHBondContact O-CB 3.33Å; N98-L102 PolarHBondContact O-N 3.43Å
99P64.9Low75Confident109 Ų10966.9 Ų66.971%0.70836%0.355SS*.Hα-helixtrans-64.5-35.4-170.423.4-33.5000113.5M97 G103M97-P99 WeakPolarHBondContact O-CD 3.46Å; P99-G103 PolarHBondContact O-N 3.28Å
100R71.3Confident75Confident209 Ų20970.5 Ų70.579%0.78936%0.364SS*.Hα-helixtrans-65.5-46.1178.5-65.3179.681.5174.74.9111.3N98 W104N98-R100 PolarHBondContact O-N 2.66Å; R100-W104 VanDerWaalsContact O-CD1 3.24Å; R100-W104 PolarHBondContact O-N 3.46Å
101Y68.7Low75.1Confident2 Ų268.6 Ų68.61%0.00836%0.356CS..Hα-helixtrans-67.7-44.7-179.9177.3-103000111.8A23 F29 N43 I47 I95 N98 G103 W104 L105A23-Y101 WeakPolarHBondContact O-CD2 3.35Å; A23-Y101 WeakPolarHBondContact O-CE2 3.32Å; F29-Y101 HydrophobicContact CE2-CE1 4.19Å; N43-Y101 PolarHBondContact ND2-OH 3.22Å; N43-Y101 VanDerWaalsContact ND2-OH 3.12Å; I47-Y101 HydrophobicContact CD1-CE1 3.91Å; I47-Y101 HydrophobicContact CD1-CE2 4.48Å; I47-Y101 VanDerWaalsContact CD1-CZ 3.48Å; I47-Y101 WeakPolarHBondContact CD1-OH 3.45Å; I95-Y101 HydrophobicContact CD1-CD1 3.6Å; I95-Y101 HydrophobicContact CD1-CE1 3.21Å; N98-Y101 PolarHBondContact O-N 3.42Å; Y101-G103 VanDerWaalsContact C-N 3.29Å; Y101-G103 PolarHBondContact O-N 2.95Å; Y101-W104 PolarHBondContact O-N 2.95Å; Y101-L105 HydrophobicContact CE1-CD2 4.04Å; Y101-L105 WeakPolarHBondContact O-CB 3.24Å; Y101-L105 PolarHBondContact O-N 3.4Å
102L75.3Confident75.3Confident63 Ų6368.6 Ų68.633%0.3336%0.356SS..Hα-helixtrans-63.7-36.2-178.3-161.9125.9000111.8L92 I95 N98 L105 L106L92-L102 HydrophobicContact CD2-CD1 4.17Å; L92-L102 HydrophobicContact CD2-CG 3.95Å; I95-L102 HydrophobicContact CG2-CD1 3.97Å; N98-L102 WeakPolarHBondContact O-CB 3.33Å; N98-L102 PolarHBondContact O-N 3.43Å; L102-L105 PolarHBondContact O-N 2.93Å; L102-L106 WeakPolarHBondContact O-CB 3.28Å; L102-L106 PolarHBondContact O-N 3.42Å
103G79.1Confident75.7Confident41 Ų4171.3 Ų71.342%0.42337%0.366SS..Hα-helixtrans-61.3-45.8174.500000113.3P99 Y101 A107P99-G103 PolarHBondContact O-N 3.28Å; Y101-G103 VanDerWaalsContact C-N 3.29Å; Y101-G103 PolarHBondContact O-N 2.95Å; G103-A107 WeakPolarHBondContact O-CB 3.25Å; G103-A107 PolarHBondContact O-N 2.89Å
104W77.4Confident76Confident103 Ų10370.3 Ų70.339%0.3936%0.356SS..Hα-helixtrans-70.1-37177.7-77.1100.6000112.7I22 A23 I26 R100 Y101 A107 A108I22-W104 HydrophobicContact CB-CE3 4.07Å; I22-W104 HydrophobicContact CB-CZ3 4.21Å; I22-W104 HydrophobicContact CD1-CE3 4.47Å; I22-W104 HydrophobicContact CD1-CH2 4.1Å; I22-W104 HydrophobicContact CD1-CZ3 3.77Å; I22-W104 HydrophobicContact CG2-CD2 3.63Å; I22-W104 HydrophobicContact CG2-CE3 3.58Å; I22-W104 HydrophobicContact CG2-CG 4.25Å; I22-W104 HydrophobicContact CG2-CH2 4.02Å; I22-W104 HydrophobicContact CG2-CZ2 4.06Å; I22-W104 HydrophobicContact CG2-CZ3 3.78Å; A23-W104 HydrophobicContact CB-CB 4.07Å; I26-W104 HydrophobicContact CD1-CD2 4.38Å; I26-W104 HydrophobicContact CD1-CG 4.11Å; R100-W104 VanDerWaalsContact O-CD1 3.24Å; R100-W104 PolarHBondContact O-N 3.46Å; Y101-W104 PolarHBondContact O-N 2.95Å; W104-A107 PolarHBondContact O-N 3.25Å; W104-A108 WeakPolarHBondContact O-CB 3.3Å; W104-A108 PolarHBondContact O-N 3.3Å
105L78.5Confident76.5Confident1 Ų167.9 Ų67.91%0.00534%0.341CS..Hα-helixtrans-66-43176.5-169.367.1000111.5I47 F88 A91 L92 Y101 L102 A108 L109I47-L105 HydrophobicContact CD1-CD1 3.47Å; I47-L105 VanDerWaalsContact CD1-CD1 3.47Å; I47-L105 HydrophobicContact CD1-CD2 3.76Å; I47-L105 HydrophobicContact CD1-CG 4.28Å; I47-L105 HydrophobicContact CG1-CD1 3.8Å; I47-L105 HydrophobicContact CG2-CD1 4.26Å; F88-L105 HydrophobicContact CD1-CD1 3.71Å; F88-L105 HydrophobicContact CE1-CD1 4.19Å; A91-L105 HydrophobicContact CB-CD2 4.3Å; L92-L105 HydrophobicContact CD2-CD2 3.81Å; L92-L105 HydrophobicContact CD2-CG 4.27Å; L92-L105 HydrophobicContact CG-CD2 3.69Å; L92-L105 HydrophobicContact CG-CG 4.15Å; Y101-L105 HydrophobicContact CE1-CD2 4.04Å; Y101-L105 WeakPolarHBondContact O-CB 3.24Å; Y101-L105 PolarHBondContact O-N 3.4Å; L102-L105 PolarHBondContact O-N 2.93Å; L105-A108 PolarHBondContact O-N 3.31Å; L105-L109 PolarHBondContact O-N 3.31Å
106L83.3Confident77.3Confident71 Ų7168 Ų6837%0.37234%0.342SS..Hα-helixtrans-66.2-40.1176.1-172.364.3000111.2L92 L102 L109 W110L92-L106 HydrophobicContact CD1-CD1 4.4Å; L102-L106 WeakPolarHBondContact O-CB 3.28Å; L102-L106 PolarHBondContact O-N 3.42Å; L106-L109 PolarHBondContact O-N 2.66Å; L106-W110 VanDerWaalsContact O-CD1 3.22Å; L106-W110 PolarHBondContact O-N 3.46Å
107A83.1Confident78.8Confident39 Ų3965.5 Ų65.532%0.32233%0.329SS..Hα-helixtrans-60.3-46.7172.600000111.3G103 W104 L109 W110 V111G103-A107 WeakPolarHBondContact O-CB 3.25Å; G103-A107 PolarHBondContact O-N 2.89Å; W104-A107 PolarHBondContact O-N 3.25Å; A107-L109 VanDerWaalsContact C-N 3.32Å; A107-L109 PolarHBondContact O-N 3.13Å; A107-W110 PolarHBondContact O-N 3.18Å; A107-V111 VanDerWaalsContact O-CG2 3.26Å; A107-V111 WeakPolarHBondContact O-CG2 3.37Å; A107-V111 PolarHBondContact O-N 3.21Å
108A81.3Confident79.9Confident0 Ų059.7 Ų59.70%030%0.3CS..Hα-helixtrans-57.4-45.9175.500000111.2C19 A20 W104 L105 W110 V111 T112C19-A108 HydrophobicContact CB-CB 3.95Å; A20-A108 HydrophobicContact CB-CB 4.44Å; W104-A108 WeakPolarHBondContact O-CB 3.3Å; W104-A108 PolarHBondContact O-N 3.3Å; L105-A108 PolarHBondContact O-N 3.31Å; A108-W110 PolarHBondContact O-N 2.94Å; A108-V111 PolarHBondContact O-N 3.43Å; A108-T112 VanDerWaalsContact O-CG2 3.32Å; A108-T112 WeakPolarHBondContact O-CG2 3.26Å; A108-T112 PolarHBondContact O-N 3.19Å; A108-T112 PolarHBondContact O-OG1 3.3Å
109L85.1Confident80.7Confident25 Ų2556.3 Ų56.313%0.13128%0.282CS..Hα-helixtrans-57.7-49.1176.4-175.7148.5000111.9F88 I89 L92 L105 L106 A107 V111 T112 F113F88-L109 HydrophobicContact CB-CB 4.39Å; F88-L109 HydrophobicContact CB-CD1 4.06Å; I89-L109 HydrophobicContact CG1-CD1 3.71Å; L92-L109 HydrophobicContact CD1-CD1 3.5Å; L92-L109 VanDerWaalsContact CD1-CD1 3.5Å; L105-L109 PolarHBondContact O-N 3.31Å; L106-L109 PolarHBondContact O-N 2.66Å; A107-L109 VanDerWaalsContact C-N 3.32Å; A107-L109 PolarHBondContact O-N 3.13Å; L109-V111 VanDerWaalsContact C-N 3.35Å; L109-V111 PolarHBondContact O-N 2.91Å; L109-T112 WeakPolarHBondContact CA-OG1 3.29Å; L109-T112 PolarHBondContact O-N 3.28Å; L109-T112 PolarHBondContact O-OG1 3.03Å; L109-F113 PolarHBondContact O-N 3.16Å
110W86.4Confident81.6Confident149 Ų14954.1 Ų54.156%0.56426%0.264SS*.Hα-helixtrans-63.3-39.2178.7-82.9109000112.9L106 A107 A108 F113 L114L106-W110 VanDerWaalsContact O-CD1 3.22Å; L106-W110 PolarHBondContact O-N 3.46Å; A107-W110 PolarHBondContact O-N 3.18Å; A108-W110 PolarHBondContact O-N 2.94Å; W110-F113 HydrophobicContact CE3-CD1 4.44Å; W110-F113 HydrophobicContact CZ3-CD1 4.33Å; W110-F113 WeakPolarHBondContact O-CB 3.38Å; W110-F113 PolarHBondContact O-N 3.14Å; W110-L114 WeakPolarHBondContact O-CG 3.43Å; W110-L114 PolarHBondContact O-N 3.39Å
111V85.2Confident82.2Confident30 Ų3048.3 Ų48.318%0.18225%0.248CC..Hα-helixtrans-68.4-37.5177.1-175.30000110.6T15 A16 A107 A108 L109 F113 L114 C115T15-V111 HydrophobicContact CG2-CG1 4.31Å; A16-V111 HydrophobicContact CB-CB 4.31Å; A16-V111 HydrophobicContact CB-CG1 3.75Å; A107-V111 VanDerWaalsContact O-CG2 3.26Å; A107-V111 WeakPolarHBondContact O-CG2 3.37Å; A107-V111 PolarHBondContact O-N 3.21Å; A108-V111 PolarHBondContact O-N 3.43Å; L109-V111 VanDerWaalsContact C-N 3.35Å; L109-V111 PolarHBondContact O-N 2.91Å; V111-F113 VanDerWaalsContact C-N 3.31Å; V111-F113 PolarHBondContact O-N 3Å; V111-L114 PolarHBondContact O-N 3.45Å; V111-C115 PolarHBondContact O-N 3.38Å; V111-C115 PolarHBondContact O-SG 2.99Å
112T84.5Confident82.7Confident0 Ų049.1 Ų49.10%025%0.252CS..Hα-helixtrans-63.7-36.4172.360.10000112.9A16 L54 I85 F88 A108 L109 C115 L116A16-T112 HydrophobicContact CB-CG2 4.22Å; L54-T112 HydrophobicContact CD1-CG2 3.54Å; L54-T112 HydrophobicContact CD2-CG2 3.64Å; L54-T112 HydrophobicContact CG-CG2 3.95Å; I85-T112 WeakPolarHBondContact CG1-OG1 3.49Å; F88-T112 HydrophobicContact CD2-CG2 4.29Å; F88-T112 HydrophobicContact CE2-CG2 3.93Å; A108-T112 VanDerWaalsContact O-CG2 3.32Å; A108-T112 WeakPolarHBondContact O-CG2 3.26Å; A108-T112 PolarHBondContact O-N 3.19Å; A108-T112 PolarHBondContact O-OG1 3.3Å; L109-T112 WeakPolarHBondContact CA-OG1 3.29Å; L109-T112 PolarHBondContact O-N 3.28Å; L109-T112 PolarHBondContact O-OG1 3.03Å; T112-C115 WeakPolarHBondContact O-CB 3.48Å; T112-C115 PolarHBondContact O-N 3.47Å; T112-L116 PolarHBondContact O-N 2.95Å
113F86.3Confident82.8Confident94 Ų9450.7 Ų50.741%0.41225%0.254SS..Hα-helixtrans-64.5-44.8175.7-171.4-96.8000111.4L109 W110 V111 C115 L116 L117L109-F113 PolarHBondContact O-N 3.16Å; W110-F113 HydrophobicContact CE3-CD1 4.44Å; W110-F113 HydrophobicContact CZ3-CD1 4.33Å; W110-F113 WeakPolarHBondContact O-CB 3.38Å; W110-F113 PolarHBondContact O-N 3.14Å; V111-F113 VanDerWaalsContact C-N 3.31Å; V111-F113 PolarHBondContact O-N 3Å; F113-C115 VanDerWaalsContact C-N 3.32Å; F113-C115 PolarHBondContact O-N 3.29Å; F113-L116 PolarHBondContact O-N 2.99Å; F113-L117 PolarHBondContact O-N 2.96Å
114L86Confident82.9Confident96 Ų9652.5 Ų52.550%0.50325%0.253SS..Hα-helixtrans-61.3-40.4173.2-70.2174.8000111.9W110 V111 L116 L117 I118W110-L114 WeakPolarHBondContact O-CG 3.43Å; W110-L114 PolarHBondContact O-N 3.39Å; V111-L114 PolarHBondContact O-N 3.45Å; L114-L116 VanDerWaalsContact C-N 3.34Å; L114-L116 PolarHBondContact O-N 3.35Å; L114-L117 PolarHBondContact O-N 2.92Å; L114-I118 WeakPolarHBondContact O-CD1 3.29Å; L114-I118 VanDerWaalsContact O-CG1 3.26Å; L114-I118 WeakPolarHBondContact O-CG1 3.49Å; L114-I118 PolarHBondContact O-N 3.12Å
115C83Confident82.9Confident0 Ų052 Ų520%026%0.261CS..Hα-helixtrans-59.8-45.5174.7-68.10000111.5Y9 A12 L81 V111 T112 F113 L117 I118 A119Y9-C115 HydrophobicContact CE2-CB 4.18Å; Y9-C115 VanDerWaalsContact CE2-O 3.25Å; Y9-C115 WeakPolarHBondContact CE2-O 3.4Å; A12-C115 PolarHBondContact O-SG 3.44Å; A12-C115 VanDerWaalsContact O-SG 3.39Å; L81-C115 HydrophobicContact CD1-CB 4.21Å; L81-C115 HydrophobicContact CD2-CB 4.28Å; V111-C115 PolarHBondContact O-N 3.38Å; V111-C115 PolarHBondContact O-SG 2.99Å; T112-C115 WeakPolarHBondContact O-CB 3.48Å; T112-C115 PolarHBondContact O-N 3.47Å; F113-C115 VanDerWaalsContact C-N 3.32Å; F113-C115 PolarHBondContact O-N 3.29Å; C115-L117 VanDerWaalsContact C-N 3.33Å; C115-L117 PolarHBondContact O-N 3.19Å; C115-I118 PolarHBondContact O-N 3.49Å; C115-A119 WeakPolarHBondContact O-CB 2.77Å; C115-A119 PolarHBondContact O-N 3.44Å
116L84.2Confident82.4Confident30 Ų3056.3 Ų56.316%0.15728%0.284CS..Hα-helixtrans-62.3-42.3178.1-176.2145.6000111.2L81 I85 T112 F113 L114 I118 A119 I120L81-L116 HydrophobicContact CB-CB 4.33Å; L81-L116 HydrophobicContact CB-CD1 4.11Å; L81-L116 HydrophobicContact CD1-CB 4.34Å; I85-L116 HydrophobicContact CD1-CB 4.22Å; I85-L116 HydrophobicContact CD1-CD1 3.75Å; T112-L116 PolarHBondContact O-N 2.95Å; F113-L116 PolarHBondContact O-N 2.99Å; L114-L116 VanDerWaalsContact C-N 3.34Å; L114-L116 PolarHBondContact O-N 3.35Å; L116-I118 PolarHBondContact O-N 2.87Å; L116-A119 WeakPolarHBondContact O-CB 3.18Å; L116-A119 PolarHBondContact O-N 2.96Å; L116-I120 HydrophobicContact CD2-CD1 3.47Å; L116-I120 VanDerWaalsContact CD2-CD1 3.47Å; L116-I120 HydrophobicContact CD2-CG1 4.34Å; L116-I120 HydrophobicContact CG-CD1 4.35Å; L116-I120 WeakPolarHBondContact O-CG1 3.43Å; L116-I120 PolarHBondContact O-N 2.71Å
117L86.1Confident81.6Confident83 Ų8356.6 Ų56.644%0.43529%0.289SS..Hα-helixtrans-62.3-44.7177.6-165.3126.1000111.9F113 L114 C115 A119 I120 I121F113-L117 PolarHBondContact O-N 2.96Å; L114-L117 PolarHBondContact O-N 2.92Å; C115-L117 VanDerWaalsContact C-N 3.33Å; C115-L117 PolarHBondContact O-N 3.19Å; L117-A119 VanDerWaalsContact C-N 3.34Å; L117-A119 PolarHBondContact O-N 2.96Å; L117-I120 PolarHBondContact O-N 3.15Å; L117-I121 HydrophobicContact CD2-CD1 3.73Å; L117-I121 HydrophobicContact CG-CD1 4.48Å; L117-I121 WeakPolarHBondContact O-CG1 3.21Å; L117-I121 PolarHBondContact O-N 3.37Å
118I84.1Confident80.1Confident33 Ų3363.4 Ų63.417%0.16932%0.32CS..Hα-helixtrans-63.5-41.2175.5-63.7159.9000110.8I8 Y9 A12 L114 C115 L116 I120 I121 I122I8-I118 HydrophobicContact CG2-CD1 4.14Å; Y9-I118 HydrophobicContact CD2-CB 3.99Å; Y9-I118 HydrophobicContact CD2-CG2 3.7Å; Y9-I118 HydrophobicContact CG-CG2 4.07Å; A12-I118 HydrophobicContact CB-CD1 3.92Å; L114-I118 WeakPolarHBondContact O-CD1 3.29Å; L114-I118 VanDerWaalsContact O-CG1 3.26Å; L114-I118 WeakPolarHBondContact O-CG1 3.49Å; L114-I118 PolarHBondContact O-N 3.12Å; C115-I118 PolarHBondContact O-N 3.49Å; L116-I118 PolarHBondContact O-N 2.87Å; I118-I120 VanDerWaalsContact C-N 3.32Å; I118-I120 PolarHBondContact O-N 3.34Å; I118-I121 PolarHBondContact O-N 3.14Å; I118-I122 HydrophobicContact CG2-CD1 3.86Å; I118-I122 HydrophobicContact CG2-CG1 4.38Å; I118-I122 VanDerWaalsContact O-CG1 3.3Å; I118-I122 WeakPolarHBondContact O-CG1 3.36Å; I118-I122 PolarHBondContact O-N 3.25Å
119A82Confident80.1Confident4 Ų466.6 Ų66.63%0.03334%0.336CS..Hα-helixtrans-61.5-40.1177.500000112Y9 M74 I78 L81 C115 L116 L117 W123Y9-A119 HydrophobicContact CE2-CB 3.92Å; M74-A119 WeakPolarHBondContact CE-O 3.4Å; I78-A119 HydrophobicContact CG1-CB 4.03Å; L81-A119 HydrophobicContact CD1-CB 4.4Å; C115-A119 WeakPolarHBondContact O-CB 2.77Å; C115-A119 PolarHBondContact O-N 3.44Å; L116-A119 WeakPolarHBondContact O-CB 3.18Å; L116-A119 PolarHBondContact O-N 2.96Å; L117-A119 VanDerWaalsContact C-N 3.34Å; L117-A119 PolarHBondContact O-N 2.96Å; A119-W123 WeakPolarHBondContact O-CB 3.48Å; A119-W123 PolarHBondContact O-N 3.38Å
120I83.8Confident79.8Confident63 Ų6368.8 Ų68.832%0.32335%0.347SS..Hα-helixtrans-66.1-43.5175.1-67.8170.9000111.2I78 L116 L117 I118 I122 W123 I124I78-I120 HydrophobicContact CD1-CG1 4.33Å; L116-I120 HydrophobicContact CD2-CD1 3.47Å; L116-I120 VanDerWaalsContact CD2-CD1 3.47Å; L116-I120 HydrophobicContact CD2-CG1 4.34Å; L116-I120 HydrophobicContact CG-CD1 4.35Å; L116-I120 WeakPolarHBondContact O-CG1 3.43Å; L116-I120 PolarHBondContact O-N 2.71Å; L117-I120 PolarHBondContact O-N 3.15Å; I118-I120 VanDerWaalsContact C-N 3.32Å; I118-I120 PolarHBondContact O-N 3.34Å; I120-I122 VanDerWaalsContact C-N 3.34Å; I120-I122 PolarHBondContact O-N 3.49Å; I120-W123 WeakPolarHBondContact O-CA 3.34Å; I120-W123 VanDerWaalsContact O-CB 3.32Å; I120-W123 WeakPolarHBondContact O-CB 3.17Å; I120-W123 PolarHBondContact O-N 3.07Å; I120-I124 HydrophobicContact CG2-CD1 3.81Å; I120-I124 HydrophobicContact CG2-CG1 4.37Å; I120-I124 WeakPolarHBondContact O-CG1 3.32Å; I120-I124 PolarHBondContact O-N 3.1Å
121I82.3Confident79.4Confident87 Ų8764.3 Ų64.345%0.44634%0.335SS..Hα-helixtrans-59.9-47.8177.4-67.6164.3000110.1L117 I118 W123 I124 T125L117-I121 HydrophobicContact CD2-CD1 3.73Å; L117-I121 HydrophobicContact CG-CD1 4.48Å; L117-I121 WeakPolarHBondContact O-CG1 3.21Å; L117-I121 PolarHBondContact O-N 3.37Å; I118-I121 PolarHBondContact O-N 3.14Å; I121-W123 PolarHBondContact O-N 3.26Å; I121-I124 PolarHBondContact O-N 3.45Å; I121-T125 WeakPolarHBondContact O-CB 3.35Å; I121-T125 PolarHBondContact O-N 3.24Å; I121-T125 PolarHBondContact O-OG1 3.32Å
122I78.9Confident79.1Confident19 Ų1966.4 Ų66.410%0.09734%0.344CS..Hα-helixtrans-59.1-36.9175.8-65.5169.9000110.1A5 Y9 M74 I118 I120 N126A5-I122 HydrophobicContact CB-CD1 4.25Å; A5-I122 HydrophobicContact CB-CG1 3.96Å; Y9-I122 HydrophobicContact CD1-CD1 4.39Å; Y9-I122 HydrophobicContact CG-CD1 4.09Å; M74-I122 HydrophobicContact CE-CB 4.05Å; M74-I122 HydrophobicContact CE-CG2 3.76Å; M74-I122 HydrophobicContact SD-CG2 4.09Å; I118-I122 HydrophobicContact CG2-CD1 3.86Å; I118-I122 HydrophobicContact CG2-CG1 4.38Å; I118-I122 VanDerWaalsContact O-CG1 3.3Å; I118-I122 WeakPolarHBondContact O-CG1 3.36Å; I118-I122 PolarHBondContact O-N 3.25Å; I120-I122 VanDerWaalsContact C-N 3.34Å; I120-I122 PolarHBondContact O-N 3.49Å; I122-N126 VanDerWaalsContact CG2-ND2 3.31Å; I122-N126 WeakPolarHBondContact CG2-ND2 3.33Å; I122-N126 PolarHBondContact O-N 2.72Å; I122-N126 VanDerWaalsContact O-N 3.12Å; I122-N126 PolarHBondContact O-ND2 3.27Å
123W79Confident78.8Confident96 Ų9670.5 Ų70.536%0.36437%0.366SS..Hα-helixtrans-65.5-49.5-179.1-173.866.4000111.2M74 I78 A119 I120 I121 N126 T127M74-W123 HydrophobicContact CE-CB 3.47Å; M74-W123 VanDerWaalsContact CE-CB 3.47Å; M74-W123 HydrophobicContact CE-CG 4.16Å; M74-W123 VanDerWaalsContact CE-N 3.27Å; I78-W123 HydrophobicContact CD1-CB 4.31Å; I78-W123 HydrophobicContact CD1-CG 4.41Å; A119-W123 WeakPolarHBondContact O-CB 3.48Å; A119-W123 PolarHBondContact O-N 3.38Å; I120-W123 WeakPolarHBondContact O-CA 3.34Å; I120-W123 VanDerWaalsContact O-CB 3.32Å; I120-W123 WeakPolarHBondContact O-CB 3.17Å; I120-W123 PolarHBondContact O-N 3.07Å; I121-W123 PolarHBondContact O-N 3.26Å; W123-N126 PolarHBondContact O-N 2.96Å; W123-T127 PolarHBondContact O-N 2.97Å; W123-T127 PolarHBondContact O-OG1 3.45Å
124I80.3Confident78.3Confident79 Ų7968.9 Ų68.941%0.40536%0.363SS..Hα-helixtrans-61.1-49.1178.6-64168.6000109.9I120 I121 N126 T127 D128I120-I124 HydrophobicContact CG2-CD1 3.81Å; I120-I124 HydrophobicContact CG2-CG1 4.37Å; I120-I124 WeakPolarHBondContact O-CG1 3.32Å; I120-I124 PolarHBondContact O-N 3.1Å; I121-I124 PolarHBondContact O-N 3.45Å; I124-N126 PolarHBondContact O-N 3.45Å; I124-T127 PolarHBondContact O-N 3.3Å; I124-D128 PolarHBondContact O-N 3.49Å; I124-D128 VanDerWaalsContact O-N 3.15Å
125T76.8Confident77.7Confident92 Ų9267 Ų6756%0.56435%0.353SS*.Hα-helixtrans-65.2-21.5-178.2-52.70000114.4I121I121-T125 WeakPolarHBondContact O-CB 3.35Å; I121-T125 PolarHBondContact O-N 3.24Å; I121-T125 PolarHBondContact O-OG1 3.32Å
126N69.9Low77.3Confident92 Ų9272.2 Ų72.249%0.49238%0.38SS..Hα-helixtrans-92.9-7.3172.1-70.6-73.5000113I122 W123 I124I122-N126 VanDerWaalsContact CG2-ND2 3.31Å; I122-N126 WeakPolarHBondContact CG2-ND2 3.33Å; I122-N126 PolarHBondContact O-N 2.72Å; I122-N126 VanDerWaalsContact O-N 3.12Å; I122-N126 PolarHBondContact O-ND2 3.27Å; W123-N126 PolarHBondContact O-N 2.96Å; I124-N126 PolarHBondContact O-N 3.45Å
127T66.5Low76.7Confident77 Ų7775.7 Ų75.747%0.47240%0.398SS..Hα-helixtrans-93.7-27.5178-52.10000111.7W123 I124W123-T127 PolarHBondContact O-N 2.97Å; W123-T127 PolarHBondContact O-OG1 3.45Å; I124-T127 PolarHBondContact O-N 3.3Å
128D51.2Low75.9Confident183 Ų18375 Ų7598%0.97940%0.395SS*.  trans-77.30170.2-62.3-48000112.4I124I124-D128 PolarHBondContact O-N 3.49Å; I124-D128 VanDerWaalsContact O-N 3.15Å

Retrieved 128 of 128 residues in 50.1 ms (Link to these results)

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