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UPF0358 protein SAOUHSC_01062

AlphaFold DB , UniProt , Accession Q2G2C3, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene n/a, Length 91 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
1M65.6Low91.1Very high216 Ų21695.8 Ų95.8100%1.06453%0.533SS*.  0-47.70-66.1-179.9178.200112.6K3 Q4 A5M1-K3 PolarHBondContact O-N 3.07Å; M1-Q4 PolarHBondContact O-N 3.33Å; M1-A5 PolarHBondContact O-N 3.28Å
2A85.6Confident91.6Very high78 Ų7891.9 Ų91.965%0.64551%0.51SS*.Hα-helixtrans-51.9-47.4-179.700000114.9Q4 A5 T6A2-Q4 VanDerWaalsContact C-N 3.28Å; A2-Q4 PolarHBondContact O-N 3.5Å; A2-A5 PolarHBondContact O-N 3.09Å; A2-T6 PolarHBondContact O-N 2.99Å; A2-T6 PolarHBondContact O-OG1 3.21Å
3K89.1Confident92.1Very high166 Ų16697.4 Ų97.472%0.72253%0.525SS*.Hα-helixtrans-56.6-38.7-179-169.5178.2-180179.70113.3M1 T6 M7M1-K3 PolarHBondContact O-N 3.07Å; K3-T6 PolarHBondContact O-N 3.35Å; K3-M7 HydrophobicContact CG-CE 4.2Å; K3-M7 HydrophobicContact CG-SD 4.5Å; K3-M7 VanDerWaalsContact O-CG 3.32Å; K3-M7 WeakPolarHBondContact O-CG 3.2Å; K3-M7 PolarHBondContact O-N 3.05Å
4Q89Confident92.5Very high110 Ų11097.1 Ų97.151%0.51452%0.519SS..Hα-helixtrans-71-44-179.3-170.6173.310.300111.5M1 A2 T6 M7 K8M1-Q4 PolarHBondContact O-N 3.33Å; A2-Q4 VanDerWaalsContact C-N 3.28Å; A2-Q4 PolarHBondContact O-N 3.5Å; Q4-T6 VanDerWaalsContact C-N 3.3Å; Q4-T6 PolarHBondContact O-N 2.96Å; Q4-M7 HydrophobicContact CB-CE 4.48Å; Q4-M7 PolarHBondContact O-N 3.36Å; Q4-M7 VanDerWaalsContact O-N 3.15Å; Q4-K8 WeakPolarHBondContact O-CG 3.28Å; Q4-K8 PolarHBondContact O-N 2.95Å
5A92.6Very high92.9Very high52 Ų5291.1 Ų91.143%0.4349%0.486SS..Hα-helixtrans-59.8-41.5174.400000111.6M1 A2 M7 K8 N9M1-A5 PolarHBondContact O-N 3.28Å; A2-A5 PolarHBondContact O-N 3.09Å; A5-M7 PolarHBondContact O-N 3.08Å; A5-K8 PolarHBondContact O-N 3.42Å; A5-N9 PolarHBondContact O-N 3.2Å
6T95.5Very high93.3Very high93 Ų9388.4 Ų88.457%0.57148%0.475SS*.Hα-helixtrans-60-43.3173.8-52.60000112A2 K3 Q4 A10A2-T6 PolarHBondContact O-N 2.99Å; A2-T6 PolarHBondContact O-OG1 3.21Å; K3-T6 PolarHBondContact O-N 3.35Å; Q4-T6 VanDerWaalsContact C-N 3.3Å; Q4-T6 PolarHBondContact O-N 2.96Å; T6-A10 VanDerWaalsContact O-CB 3.31Å; T6-A10 WeakPolarHBondContact O-CB 3.49Å; T6-A10 PolarHBondContact O-N 3.11Å
7M96.1Very high93.6Very high84 Ų8489.4 Ų89.441%0.41447%0.473SS..Hα-helixtrans-67.6-38.6177.8-70.9-177-58.300112.7K3 Q4 A5 A10 A11 L64K3-M7 HydrophobicContact CG-CE 4.2Å; K3-M7 HydrophobicContact CG-SD 4.5Å; K3-M7 VanDerWaalsContact O-CG 3.32Å; K3-M7 WeakPolarHBondContact O-CG 3.2Å; K3-M7 PolarHBondContact O-N 3.05Å; Q4-M7 HydrophobicContact CB-CE 4.48Å; Q4-M7 PolarHBondContact O-N 3.36Å; Q4-M7 VanDerWaalsContact O-N 3.15Å; A5-M7 PolarHBondContact O-N 3.08Å; M7-A10 PolarHBondContact O-N 2.9Å; M7-A11 WeakPolarHBondContact O-CB 3.43Å; M7-A11 PolarHBondContact O-N 3.15Å; M7-L64 HydrophobicContact CB-CD2 3.97Å
8K96.6Very high93.8Very high72 Ų7285.8 Ų85.831%0.31346%0.455SS..Hα-helixtrans-60.7-48.8174.6-70.4-167.9170-155.60111.6Q4 A5 A10 A11 L12 G63 L64Q4-K8 WeakPolarHBondContact O-CG 3.28Å; Q4-K8 PolarHBondContact O-N 2.95Å; A5-K8 PolarHBondContact O-N 3.42Å; K8-A10 VanDerWaalsContact C-N 3.32Å; K8-A10 PolarHBondContact O-N 3.42Å; K8-A11 PolarHBondContact O-N 3.21Å; K8-L12 PolarHBondContact O-N 3.04Å; K8-G63 VanDerWaalsContact CE-O 3.23Å; K8-G63 WeakPolarHBondContact CE-O 3.32Å; K8-L64 WeakPolarHBondContact CA-O 3.36Å; K8-L64 WeakPolarHBondContact CB-O 3.43Å; K8-L64 WeakPolarHBondContact CG-O 3.5Å
9N96.4Very high94.1Very high111 Ų11181.3 Ų81.359%0.59443%0.431SS*.Hα-helixtrans-63-39.9177.5-69.8-8.4000111.8A5 K13A5-N9 PolarHBondContact O-N 3.2Å; N9-K13 WeakPolarHBondContact O-CB 3.23Å; N9-K13 PolarHBondContact O-N 2.98Å
10A97.4Very high94.3Very high56 Ų5680.9 Ų80.946%0.46343%0.429SS..Hα-helixtrans-63.7-42.6175.700000111.9T6 M7 K8 K13 Q14T6-A10 VanDerWaalsContact O-CB 3.31Å; T6-A10 WeakPolarHBondContact O-CB 3.49Å; T6-A10 PolarHBondContact O-N 3.11Å; M7-A10 PolarHBondContact O-N 2.9Å; K8-A10 VanDerWaalsContact C-N 3.32Å; K8-A10 PolarHBondContact O-N 3.42Å; A10-K13 PolarHBondContact O-N 3.22Å; A10-Q14 VanDerWaalsContact O-CB 3.29Å; A10-Q14 WeakPolarHBondContact O-CB 3.43Å; A10-Q14 PolarHBondContact O-N 3.29Å
11A97.9Very high94.4Very high16 Ų1681.6 Ų81.613%0.13243%0.43CS..Hα-helixtrans-63-47.8177.800000112M7 K8 K13 Q14 L15 L64 V65M7-A11 WeakPolarHBondContact O-CB 3.43Å; M7-A11 PolarHBondContact O-N 3.15Å; K8-A11 PolarHBondContact O-N 3.21Å; A11-K13 VanDerWaalsContact C-N 3.35Å; A11-K13 PolarHBondContact O-N 2.85Å; A11-Q14 PolarHBondContact O-N 2.91Å; A11-L15 WeakPolarHBondContact O-CG 3.38Å; A11-L15 PolarHBondContact O-N 3.43Å; A11-L64 HydrophobicContact CB-CB 3.91Å; A11-L64 HydrophobicContact CB-CD1 4.45Å; A11-V65 HydrophobicContact CB-CG2 3.88Å
12L97.5Very high95.9Very high49 Ų4971.9 Ų71.926%0.25738%0.382SS..Hα-helixtrans-59.5-44.4175.8-75.7172.5000112.2K8 Q14 T16 V65 D69 I73K8-L12 PolarHBondContact O-N 3.04Å; L12-Q14 VanDerWaalsContact C-N 3.35Å; L12-T16 WeakPolarHBondContact O-CB 3.35Å; L12-T16 PolarHBondContact O-N 2.9Å; L12-T16 PolarHBondContact O-OG1 3.49Å; L12-V65 HydrophobicContact CD2-CB 4.42Å; L12-V65 HydrophobicContact CD2-CG1 3.84Å; L12-V65 HydrophobicContact CD2-CG2 3.97Å; L12-V65 HydrophobicContact CG-CG2 4.18Å; L12-D69 HydrophobicContact CD2-CB 3.77Å; L12-I73 HydrophobicContact CD2-CD1 4.35Å
13K97.9Very high96.4Very high163 Ų16370.1 Ų70.171%0.70936%0.362SS*.Hα-helixtrans-63.6-41177.8-174.1178.7179.9-178.30111.9N9 A10 A11 K17N9-K13 WeakPolarHBondContact O-CB 3.23Å; N9-K13 PolarHBondContact O-N 2.98Å; A10-K13 PolarHBondContact O-N 3.22Å; A11-K13 VanDerWaalsContact C-N 3.35Å; A11-K13 PolarHBondContact O-N 2.85Å; K13-K17 WeakPolarHBondContact O-CB 3.37Å; K13-K17 PolarHBondContact O-N 2.98Å
14Q98.4Very high96.7Very high93 Ų9368.1 Ų68.144%0.43535%0.354SS..Hα-helixtrans-64.9-52.8179.6-173.355.854.800110.6A10 A11 L12 T16 K17 D18A10-Q14 VanDerWaalsContact O-CB 3.29Å; A10-Q14 WeakPolarHBondContact O-CB 3.43Å; A10-Q14 PolarHBondContact O-N 3.29Å; A11-Q14 PolarHBondContact O-N 2.91Å; L12-Q14 VanDerWaalsContact C-N 3.35Å; Q14-T16 PolarHBondContact O-N 3.21Å; Q14-K17 WeakPolarHBondContact O-CA 3.4Å; Q14-K17 VanDerWaalsContact O-CB 3.3Å; Q14-K17 WeakPolarHBondContact O-CB 3.38Å; Q14-K17 PolarHBondContact O-N 3.31Å; Q14-D18 WeakPolarHBondContact CG-OD2 3.33Å; Q14-D18 VanDerWaalsContact NE2-CG 3.31Å; Q14-D18 PolarHBondContact NE2-OD1 2.87Å; Q14-D18 PolarHBondContact NE2-OD2 3.3Å; Q14-D18 VanDerWaalsContact O-CG 3.28Å; Q14-D18 PolarHBondContact O-N 3.22Å
15L98.6Very high96.9Very high7 Ų766.1 Ų66.14%0.03735%0.347CS..Hα-helixtrans-58.8-35.1178-67170.5000113.1A11 A19 L52 E55 V56 A59 V65 I73A11-L15 WeakPolarHBondContact O-CG 3.38Å; A11-L15 PolarHBondContact O-N 3.43Å; L15-A19 WeakPolarHBondContact O-CB 3.45Å; L15-A19 PolarHBondContact O-N 3.01Å; L15-L52 HydrophobicContact CD2-CD1 4.25Å; L15-E55 HydrophobicContact CD2-CB 3.75Å; L15-V56 HydrophobicContact CD1-CG2 4.17Å; L15-V56 HydrophobicContact CD2-CG2 4.01Å; L15-A59 HydrophobicContact CD1-CB 4.07Å; L15-V65 HydrophobicContact CD1-CG1 4.43Å; L15-V65 HydrophobicContact CD1-CG2 3.78Å; L15-I73 HydrophobicContact CB-CD1 3.85Å; L15-I73 HydrophobicContact CD1-CD1 4.4Å
16T98.1Very high96.8Very high49 Ų4963.6 Ų63.630%0.30133%0.326SS..Hα-helixtrans-66.7-41.4174.9-56.10000111.3L12 Q14 A19 D20 R76L12-T16 WeakPolarHBondContact O-CB 3.35Å; L12-T16 PolarHBondContact O-N 2.9Å; L12-T16 PolarHBondContact O-OG1 3.49Å; Q14-T16 PolarHBondContact O-N 3.21Å; T16-A19 PolarHBondContact O-N 3.47Å; T16-D20 VanDerWaalsContact O-CG 3.23Å; T16-D20 PolarHBondContact O-N 3.23Å; T16-R76 PolarHBondContact O-NH2 3.32Å
17K98.4Very high96.6Very high104 Ų10464.2 Ų64.245%0.45232%0.321SS..Hα-helixtrans-64.1-43.6176-176.1177.8-178.6-82.90111.4K13 Q14 A19 D20 E21K13-K17 WeakPolarHBondContact O-CB 3.37Å; K13-K17 PolarHBondContact O-N 2.98Å; Q14-K17 WeakPolarHBondContact O-CA 3.4Å; Q14-K17 VanDerWaalsContact O-CB 3.3Å; Q14-K17 WeakPolarHBondContact O-CB 3.38Å; Q14-K17 PolarHBondContact O-N 3.31Å; K17-A19 VanDerWaalsContact C-N 3.31Å; K17-A19 PolarHBondContact O-N 3.43Å; K17-D20 PolarHBondContact O-N 3.39Å; K17-D20 VanDerWaalsContact O-N 3.14Å; K17-E21 WeakPolarHBondContact CE-OE1 3.42Å; K17-E21 IonicContact NZ-OE1 2.64Å; K17-E21 PolarHBondContact NZ-OE1 3.02Å; K17-E21 WeakPolarHBondContact O-CG 3.5Å; K17-E21 PolarHBondContact O-N 2.9Å
18D98.3Very high96.3Very high25 Ų2562.9 Ų62.913%0.13432%0.317CS..Hα-helixtrans-64.5-38.8179.3-59-34.2000110.8Q14 E21 I22 L52Q14-D18 WeakPolarHBondContact CG-OD2 3.33Å; Q14-D18 VanDerWaalsContact NE2-CG 3.31Å; Q14-D18 PolarHBondContact NE2-OD1 2.87Å; Q14-D18 PolarHBondContact NE2-OD2 3.3Å; Q14-D18 VanDerWaalsContact O-CG 3.28Å; Q14-D18 PolarHBondContact O-N 3.22Å; D18-E21 PolarHBondContact O-N 2.91Å; D18-I22 WeakPolarHBondContact O-CG1 3.46Å; D18-I22 PolarHBondContact O-N 3.47Å; D18-L52 HydrophobicContact CB-CD1 3.95Å
19A98.4Very high95.9Very high0 Ų061.3 Ų61.30%031%0.311CS..Hα-helixtrans-61.7-43.1170.900000113L15 T16 K17 E21 I22 L23 L52 I73 L77L15-A19 WeakPolarHBondContact O-CB 3.45Å; L15-A19 PolarHBondContact O-N 3.01Å; T16-A19 PolarHBondContact O-N 3.47Å; K17-A19 VanDerWaalsContact C-N 3.31Å; K17-A19 PolarHBondContact O-N 3.43Å; A19-E21 VanDerWaalsContact C-N 3.33Å; A19-I22 PolarHBondContact O-N 3.24Å; A19-L23 PolarHBondContact O-N 3.1Å; A19-L23 VanDerWaalsContact O-N 3.08Å; A19-L52 HydrophobicContact CB-CD2 3.76Å; A19-I73 HydrophobicContact CB-CG2 4.03Å; A19-L77 HydrophobicContact CB-CB 4.39Å; A19-L77 HydrophobicContact CB-CD2 4.06Å; A19-L77 WeakPolarHBondContact O-CD1 3.47Å
20D98Very high95.4Very high73 Ų7356.5 Ų56.539%0.3929%0.285SS..Hα-helixtrans-66.9-34.8177.6-64.9-20.5000111.7T16 K17 L23 H24 R76T16-D20 VanDerWaalsContact O-CG 3.23Å; T16-D20 PolarHBondContact O-N 3.23Å; K17-D20 PolarHBondContact O-N 3.39Å; K17-D20 VanDerWaalsContact O-N 3.14Å; D20-L23 PolarHBondContact O-N 2.89Å; D20-H24 WeakPolarHBondContact O-CB 3.41Å; D20-H24 PolarHBondContact O-N 3.02Å; D20-R76 IonicContact OD1-CZ 3.24Å; D20-R76 VanDerWaalsContact OD1-CZ 3.24Å; D20-R76 IonicContact OD1-NH1 2.78Å; D20-R76 PolarHBondContact OD1-NH1 3.2Å; D20-R76 IonicContact OD1-NH2 2.76Å; D20-R76 PolarHBondContact OD1-NH2 3.32Å
21E97.5Very high94.8Very high97 Ų9758.2 Ų58.245%0.45329%0.287SS..Hα-helixtrans-67.2-40.7175-75.6179.9-166.500112.1K17 D18 A19 H24 L25K17-E21 WeakPolarHBondContact CE-OE1 3.42Å; K17-E21 IonicContact NZ-OE1 2.64Å; K17-E21 PolarHBondContact NZ-OE1 3.02Å; K17-E21 WeakPolarHBondContact O-CG 3.5Å; K17-E21 PolarHBondContact O-N 2.9Å; D18-E21 PolarHBondContact O-N 2.91Å; A19-E21 VanDerWaalsContact C-N 3.33Å; E21-H24 PolarHBondContact O-N 3.49Å; E21-L25 WeakPolarHBondContact O-CB 3.32Å; E21-L25 PolarHBondContact O-N 3.35Å
22I96.8Very high94.2Very high11 Ų1163 Ų636%0.05631%0.31CS..Hα-helixtrans-59.2-50.8172.1-69.7166.9000110.1D18 A19 H24 L25 I26 Q48 L52 L77D18-I22 WeakPolarHBondContact O-CG1 3.46Å; D18-I22 PolarHBondContact O-N 3.47Å; A19-I22 PolarHBondContact O-N 3.24Å; I22-H24 VanDerWaalsContact C-N 3.28Å; I22-H24 PolarHBondContact O-N 3.43Å; I22-L25 PolarHBondContact O-N 3.34Å; I22-I26 HydrophobicContact CG2-CG1 4.33Å; I22-I26 VanDerWaalsContact O-CG1 3.31Å; I22-I26 WeakPolarHBondContact O-CG1 3.42Å; I22-I26 PolarHBondContact O-N 3.36Å; I22-Q48 HydrophobicContact CD1-CB 4.21Å; I22-Q48 HydrophobicContact CG1-CB 4.17Å; I22-Q48 HydrophobicContact CG2-CB 3.86Å; I22-Q48 HydrophobicContact CG2-CG 4.5Å; I22-L52 HydrophobicContact CD1-CB 3.79Å; I22-L52 HydrophobicContact CD1-CD2 4.13Å; I22-L52 HydrophobicContact CD1-CG 4.45Å; I22-L77 HydrophobicContact CB-CD2 4.3Å; I22-L77 HydrophobicContact CD1-CD2 4.18Å; I22-L77 HydrophobicContact CG2-CD1 4.37Å; I22-L77 HydrophobicContact CG2-CD2 4.15Å
23L95.9Very high93.1Very high42 Ų4267.5 Ų67.522%0.2233%0.334CS..Hα-helixtrans-57.9-42178.5-178.662.2000111.8A19 D20 K27 L77 E80 L81 L84A19-L23 PolarHBondContact O-N 3.1Å; A19-L23 VanDerWaalsContact O-N 3.08Å; D20-L23 PolarHBondContact O-N 2.89Å; L23-K27 WeakPolarHBondContact O-CB 3.4Å; L23-K27 PolarHBondContact O-N 3.46Å; L23-L77 HydrophobicContact CB-CD1 4.02Å; L23-E80 HydrophobicContact CD1-CB 3.93Å; L23-E80 HydrophobicContact CD2-CB 3.86Å; L23-E80 HydrophobicContact CD2-CG 4.31Å; L23-L81 HydrophobicContact CD1-CD2 3.87Å; L23-L81 HydrophobicContact CD1-CG 4.39Å; L23-L84 HydrophobicContact CD1-CD2 4.23Å
24H95.1Very high91.6Very high123 Ų12361.7 Ų61.757%0.56931%0.312SS*.Hα-helixtrans-64-45.9176.9179.958.4000112.3D20 E21 I22 I26 K27 V28D20-H24 WeakPolarHBondContact O-CB 3.41Å; D20-H24 PolarHBondContact O-N 3.02Å; E21-H24 PolarHBondContact O-N 3.49Å; I22-H24 VanDerWaalsContact C-N 3.28Å; I22-H24 PolarHBondContact O-N 3.43Å; H24-I26 PolarHBondContact O-N 3.04Å; H24-K27 PolarHBondContact O-N 3.02Å; H24-V28 WeakPolarHBondContact O-CG2 3.37Å; H24-V28 PolarHBondContact O-N 2.97Å
25L92.8Very high90.2Very high68 Ų6863.8 Ų63.836%0.35633%0.325SS..Hα-helixtrans-59-48.3178.9179.565000111.2E21 I22 K27 V28 Q29E21-L25 WeakPolarHBondContact O-CB 3.32Å; E21-L25 PolarHBondContact O-N 3.35Å; I22-L25 PolarHBondContact O-N 3.34Å; L25-K27 VanDerWaalsContact C-N 3.34Å; L25-K27 PolarHBondContact O-N 2.94Å; L25-V28 PolarHBondContact O-N 3.3Å; L25-Q29 WeakPolarHBondContact O-CG 3.41Å; L25-Q29 PolarHBondContact O-N 2.99Å
26I91.3Very high88.8Confident0 Ų063.9 Ų63.90%033%0.327CS..Hα-helixtrans-62.2-42.8179-64.1-58.1000110.7I22 H24 V28 Q29 L30 Y41 V44 L45 L81 L84I22-I26 HydrophobicContact CG2-CG1 4.33Å; I22-I26 VanDerWaalsContact O-CG1 3.31Å; I22-I26 WeakPolarHBondContact O-CG1 3.42Å; I22-I26 PolarHBondContact O-N 3.36Å; H24-I26 PolarHBondContact O-N 3.04Å; I26-V28 PolarHBondContact O-N 2.96Å; I26-Q29 PolarHBondContact O-N 3.18Å; I26-L30 HydrophobicContact CG2-CD1 4.19Å; I26-L30 WeakPolarHBondContact O-CG 3.35Å; I26-L30 PolarHBondContact O-N 3.5Å; I26-Y41 HydrophobicContact CG2-CE2 3.67Å; I26-Y41 WeakPolarHBondContact CG2-OH 3.47Å; I26-V44 HydrophobicContact CD1-CG1 4.33Å; I26-L45 HydrophobicContact CD1-CD1 3.91Å; I26-L45 HydrophobicContact CG1-CD1 3.88Å; I26-L45 HydrophobicContact CG2-CD1 4.38Å; I26-L81 HydrophobicContact CB-CD2 3.97Å; I26-L81 HydrophobicContact CG1-CD2 3.95Å; I26-L81 HydrophobicContact CG2-CD2 3.92Å; I26-L84 HydrophobicContact CB-CD2 4.38Å; I26-L84 HydrophobicContact CG2-CD2 3.76Å
27K90.7Very high87.3Confident106 Ų10666.1 Ų66.146%0.46134%0.344SS..Hα-helixtrans-59.4-46.9175-176.8176.4179.5178.40112.3L23 H24 L25 Q29 L30 D31 L84L23-K27 WeakPolarHBondContact O-CB 3.4Å; L23-K27 PolarHBondContact O-N 3.46Å; H24-K27 PolarHBondContact O-N 3.02Å; L25-K27 VanDerWaalsContact C-N 3.34Å; L25-K27 PolarHBondContact O-N 2.94Å; K27-Q29 VanDerWaalsContact C-N 3.28Å; K27-Q29 PolarHBondContact O-N 3.11Å; K27-L30 PolarHBondContact O-N 3.22Å; K27-D31 WeakPolarHBondContact O-CB 3.29Å; K27-D31 VanDerWaalsContact O-CG 3.3Å; K27-D31 PolarHBondContact O-N 3.49Å; K27-L84 HydrophobicContact CB-CD2 4.09Å; K27-L84 HydrophobicContact CG-CD1 4.41Å
28V90.3Very high86.3Confident55 Ų5563.6 Ų63.633%0.33334%0.339SS..Hα-helixtrans-61.6-37.8177.3170.50000111.2H24 L25 I26 N32H24-V28 WeakPolarHBondContact O-CG2 3.37Å; H24-V28 PolarHBondContact O-N 2.97Å; L25-V28 PolarHBondContact O-N 3.3Å; I26-V28 PolarHBondContact O-N 2.96Å; V28-N32 WeakPolarHBondContact O-CB 3.46Å; V28-N32 PolarHBondContact O-N 3.4Å; V28-N32 VanDerWaalsContact O-N 3.17Å; V28-N32 PolarHBondContact O-ND2 3.08Å
29Q87.4Confident85.4Confident39 Ų3967 Ų6718%0.18236%0.363CS..Hα-helixtrans-67.2-40177-73.3177.9-200112.7L25 I26 K27 L33 T34L25-Q29 WeakPolarHBondContact O-CG 3.41Å; L25-Q29 PolarHBondContact O-N 2.99Å; I26-Q29 PolarHBondContact O-N 3.18Å; K27-Q29 VanDerWaalsContact C-N 3.28Å; K27-Q29 PolarHBondContact O-N 3.11Å; Q29-L33 WeakPolarHBondContact O-CA 3.41Å; Q29-L33 PolarHBondContact O-N 3.48Å; Q29-T34 VanDerWaalsContact C-OG1 3.25Å; Q29-T34 PolarHBondContact O-N 3.23Å; Q29-T34 PolarHBondContact O-OG1 2.87Å
30L86Confident84.7Confident10 Ų1072.1 Ų72.15%0.05239%0.39CS..Hα-helixtrans-69.8-40.1176-71.5172.4000112.1I26 K27 N32 P36 Y41 L84 F88I26-L30 HydrophobicContact CG2-CD1 4.19Å; I26-L30 WeakPolarHBondContact O-CG 3.35Å; I26-L30 PolarHBondContact O-N 3.5Å; K27-L30 PolarHBondContact O-N 3.22Å; L30-N32 VanDerWaalsContact C-N 3.27Å; L30-N32 PolarHBondContact O-N 2.92Å; L30-P36 HydrophobicContact CD2-CB 4.02Å; L30-P36 HydrophobicContact CD2-CG 3.88Å; L30-Y41 HydrophobicContact CD1-CE2 4.03Å; L30-Y41 HydrophobicContact CD2-CD2 3.97Å; L30-Y41 HydrophobicContact CD2-CE2 3.55Å; L30-Y41 HydrophobicContact CG-CD2 4.47Å; L30-Y41 HydrophobicContact CG-CE2 3.71Å; L30-L84 HydrophobicContact CD1-CD1 4.25Å; L30-L84 HydrophobicContact CD1-CD2 3.74Å; L30-L84 HydrophobicContact CD1-CG 3.54Å; L30-F88 HydrophobicContact CB-CD1 4.02Å; L30-F88 HydrophobicContact CB-CD2 4.29Å; L30-F88 HydrophobicContact CB-CE1 3.67Å; L30-F88 HydrophobicContact CB-CE2 3.95Å; L30-F88 HydrophobicContact CB-CG 4.32Å; L30-F88 HydrophobicContact CB-CZ 3.62Å; L30-F88 HydrophobicContact CD1-CD2 3.91Å; L30-F88 HydrophobicContact CD1-CE2 4.03Å; L30-F88 HydrophobicContact CD1-CG 4.31Å; L30-F88 HydrophobicContact CD2-CG 4.48Å
31D86Confident84Confident93 Ų9368.8 Ų68.850%0.49737%0.371SS..Hα-helixtrans-66.5-26.9178.7-74.3-23.8000112.7K27 F88K27-D31 WeakPolarHBondContact O-CB 3.29Å; K27-D31 VanDerWaalsContact O-CG 3.3Å; K27-D31 PolarHBondContact O-N 3.49Å; D31-F88 WeakPolarHBondContact OD1-CZ 3.41Å
32N84Confident83.4Confident116 Ų11667.7 Ų67.762%0.6237%0.366SS*.Hα-helixtrans-123.5-31-168.1-64.7-81000116.4V28 L30V28-N32 WeakPolarHBondContact O-CB 3.46Å; V28-N32 PolarHBondContact O-N 3.4Å; V28-N32 VanDerWaalsContact O-N 3.17Å; V28-N32 PolarHBondContact O-ND2 3.08Å; L30-N32 VanDerWaalsContact C-N 3.27Å; L30-N32 PolarHBondContact O-N 2.92Å
33L74.9Confident83.1Confident143 Ų14372.9 Ų72.975%0.74939%0.39SS*.THydrogen-bonded Turntrans-135-20.8-156.7-64.1175.1000115.6Q29Q29-L33 WeakPolarHBondContact O-CA 3.41Å; Q29-L33 PolarHBondContact O-N 3.48Å
34T67.2Low82.9Confident41 Ų4172.8 Ų72.825%0.25239%0.391SS..  trans-133.7136.4-165.653.10000112.9Q29Q29-T34 VanDerWaalsContact C-OG1 3.25Å; Q29-T34 PolarHBondContact O-N 3.23Å; Q29-T34 PolarHBondContact O-OG1 2.87Å
35L69Low82.7Confident137 Ų13767.9 Ų67.972%0.71737%0.369SS*.  trans-74.8128.8157.6-70.2166000106.8S37 C38L35-S37 PolarHBondContact O-N 3.18Å; L35-S37 VanDerWaalsContact O-N 3.1Å; L35-C38 VanDerWaalsContact O-CB 3.23Å; L35-C38 WeakPolarHBondContact O-CB 3.41Å; L35-C38 PolarHBondContact O-N 3.4Å
36P67.9Low82.8Confident10 Ų1069.6 Ų69.67%0.06538%0.379CS..THydrogen-bonded Turntrans-55.5-33.6-178.2-15.321.4000112.2L30 C38 Y41 F88L30-P36 HydrophobicContact CD2-CB 4.02Å; L30-P36 HydrophobicContact CD2-CG 3.88Å; P36-C38 PolarHBondContact O-N 3.06Å; P36-Y41 WeakPolarHBondContact O-CD1 3.37Å; P36-F88 HydrophobicContact CB-CB 4.29Å; P36-F88 HydrophobicContact CG-CB 3.26Å; P36-F88 HydrophobicContact CG-CG 4.26Å
37S68.3Low83Confident95 Ų9574.1 Ų74.166%0.66441%0.407SS*.THydrogen-bonded Turntrans-76.42.8-178.3-41.90000114.4L35L35-S37 PolarHBondContact O-N 3.18Å; L35-S37 VanDerWaalsContact O-N 3.1Å
38C76.1Confident83.2Confident52 Ų5272.1 Ų72.135%0.35140%0.399SS..  trans-75.6126.8177.1-173.10000109.8L35 P36 L40 Y41L35-C38 VanDerWaalsContact O-CB 3.23Å; L35-C38 WeakPolarHBondContact O-CB 3.41Å; L35-C38 PolarHBondContact O-N 3.4Å; P36-C38 PolarHBondContact O-N 3.06Å; C38-L40 PolarHBondContact O-N 3.44Å; C38-Y41 VanDerWaalsContact O-CB 3.29Å; C38-Y41 WeakPolarHBondContact O-CB 3.48Å; C38-Y41 PolarHBondContact O-N 2.88Å
39P80.3Confident83.6Confident97 Ų9771.1 Ų71.163%0.6339%0.391SS*.Hα-helixtrans-52.9-30.9178.7-28.435.1000114.2Y41 E42 E43P39-Y41 VanDerWaalsContact C-N 3.28Å; P39-Y41 PolarHBondContact O-N 2.98Å; P39-E42 PolarHBondContact O-N 3.4Å; P39-E43 PolarHBondContact O-N 3.27Å; P39-E43 VanDerWaalsContact O-N 3.15Å
40L82.3Confident84.1Confident107 Ų10775.8 Ų75.856%0.5641%0.411SS*.Hα-helixtrans-64.1-31.4176.9-175.562.9000112.9C38 V44C38-L40 PolarHBondContact O-N 3.44Å; L40-V44 VanDerWaalsContact O-CG2 3.27Å; L40-V44 WeakPolarHBondContact O-CG2 3.31Å; L40-V44 PolarHBondContact O-N 3.36Å; L40-V44 VanDerWaalsContact O-N 3.09Å
41Y84.2Confident84.7Confident2 Ų276.7 Ų76.71%0.00842%0.423CS..Hα-helixtrans-64.2-47.6176.4169.7-92.5000110.8I26 L30 P36 C38 P39 E43 V44 L45 H85I26-Y41 HydrophobicContact CG2-CE2 3.67Å; I26-Y41 WeakPolarHBondContact CG2-OH 3.47Å; L30-Y41 HydrophobicContact CD1-CE2 4.03Å; L30-Y41 HydrophobicContact CD2-CD2 3.97Å; L30-Y41 HydrophobicContact CD2-CE2 3.55Å; L30-Y41 HydrophobicContact CG-CD2 4.47Å; L30-Y41 HydrophobicContact CG-CE2 3.71Å; P36-Y41 WeakPolarHBondContact O-CD1 3.37Å; C38-Y41 VanDerWaalsContact O-CB 3.29Å; C38-Y41 WeakPolarHBondContact O-CB 3.48Å; C38-Y41 PolarHBondContact O-N 2.88Å; P39-Y41 VanDerWaalsContact C-N 3.28Å; P39-Y41 PolarHBondContact O-N 2.98Å; Y41-E43 PolarHBondContact O-N 3.01Å; Y41-V44 PolarHBondContact O-N 3.38Å; Y41-L45 HydrophobicContact CE1-CD2 4.19Å; Y41-L45 WeakPolarHBondContact O-CB 3.43Å; Y41-L45 PolarHBondContact O-N 2.85Å; Y41-H85 AromaticContact CE1-CD2 3.89Å
42E86Confident85.2Confident74 Ų7472.4 Ų72.435%0.34640%0.4SS..Hα-helixtrans-62.4-42178.1-64.4-64.6173.600111.5P39 V44 L45 D46 H85P39-E42 PolarHBondContact O-N 3.4Å; E42-V44 VanDerWaalsContact C-N 3.33Å; E42-V44 PolarHBondContact O-N 3.12Å; E42-L45 WeakPolarHBondContact O-CB 3.29Å; E42-L45 PolarHBondContact O-N 3.29Å; E42-D46 WeakPolarHBondContact O-CB 3.44Å; E42-D46 PolarHBondContact O-N 3.08Å; E42-H85 IonicContact OE1-CD2 3.8Å; E42-H85 IonicContact OE1-NE2 3.62Å
43E90.3Very high85.9Confident120 Ų12070 Ų7056%0.56139%0.385SS*.Hα-helixtrans-61.6-39.6176.2-71.7179.4-17700112.8P39 Y41 T47P39-E43 PolarHBondContact O-N 3.27Å; P39-E43 VanDerWaalsContact O-N 3.15Å; Y41-E43 PolarHBondContact O-N 3.01Å; E43-T47 WeakPolarHBondContact O-CB 3.48Å; E43-T47 PolarHBondContact O-N 3.4Å; E43-T47 PolarHBondContact O-OG1 3.05Å
44V90.5Very high87.1Confident40 Ų4067.9 Ų67.924%0.24237%0.369CS..Hα-helixtrans-66.5-46.5175.4170.50000110I26 L40 Y41 E42 D46 T47 Q48I26-V44 HydrophobicContact CD1-CG1 4.33Å; L40-V44 VanDerWaalsContact O-CG2 3.27Å; L40-V44 WeakPolarHBondContact O-CG2 3.31Å; L40-V44 PolarHBondContact O-N 3.36Å; L40-V44 VanDerWaalsContact O-N 3.09Å; Y41-V44 PolarHBondContact O-N 3.38Å; E42-V44 VanDerWaalsContact C-N 3.33Å; E42-V44 PolarHBondContact O-N 3.12Å; V44-D46 PolarHBondContact O-N 3.12Å; V44-T47 PolarHBondContact O-N 2.76Å; V44-Q48 HydrophobicContact CG1-CG 4.45Å; V44-Q48 VanDerWaalsContact O-CG 3.29Å; V44-Q48 WeakPolarHBondContact O-CG 3.43Å; V44-Q48 PolarHBondContact O-N 3.05Å
45L91.6Very high88.5Confident20 Ų2070.4 Ų70.411%0.10538%0.378CS..Hα-helixtrans-57.5-50.3178.4-170.767000111.4I26 Y41 E42 T47 Q48 M49 L81I26-L45 HydrophobicContact CD1-CD1 3.91Å; I26-L45 HydrophobicContact CG1-CD1 3.88Å; I26-L45 HydrophobicContact CG2-CD1 4.38Å; Y41-L45 HydrophobicContact CE1-CD2 4.19Å; Y41-L45 WeakPolarHBondContact O-CB 3.43Å; Y41-L45 PolarHBondContact O-N 2.85Å; E42-L45 WeakPolarHBondContact O-CB 3.29Å; E42-L45 PolarHBondContact O-N 3.29Å; L45-T47 VanDerWaalsContact C-N 3.31Å; L45-T47 PolarHBondContact O-N 3.41Å; L45-Q48 PolarHBondContact O-N 3.4Å; L45-M49 WeakPolarHBondContact O-CB 3.49Å; L45-M49 VanDerWaalsContact O-CG 3.31Å; L45-M49 WeakPolarHBondContact O-CG 3.28Å; L45-M49 PolarHBondContact O-N 2.78Å; L45-L81 HydrophobicContact CD1-CB 4.38Å; L45-L81 HydrophobicContact CD1-CD1 3.65Å; L45-L81 HydrophobicContact CD1-CD2 3.77Å; L45-L81 HydrophobicContact CD1-CG 4.12Å
46D93.5Very high90Very high104 Ų10464 Ų6456%0.55635%0.345SS*.Hα-helixtrans-60.3-41.6178.6-80.4-17.1000111.8E42 V44 M49 F50E42-D46 WeakPolarHBondContact O-CB 3.44Å; E42-D46 PolarHBondContact O-N 3.08Å; V44-D46 PolarHBondContact O-N 3.12Å; D46-M49 PolarHBondContact O-N 2.85Å; D46-F50 VanDerWaalsContact O-CB 3.25Å; D46-F50 WeakPolarHBondContact O-CB 3.32Å; D46-F50 PolarHBondContact O-N 2.84Å
47T96.4Very high91.4Very high96 Ų9665.6 Ų65.659%0.58935%0.353SS*.Hα-helixtrans-64.5-42.5178.1-60.20000111.5E43 V44 L45 G51E43-T47 WeakPolarHBondContact O-CB 3.48Å; E43-T47 PolarHBondContact O-N 3.4Å; E43-T47 PolarHBondContact O-OG1 3.05Å; V44-T47 PolarHBondContact O-N 2.76Å; L45-T47 VanDerWaalsContact C-N 3.31Å; L45-T47 PolarHBondContact O-N 3.41Å; T47-G51 PolarHBondContact O-N 2.78Å
48Q96Very high92.9Very high64 Ų6467.5 Ų67.530%0.29935%0.35SS..Hα-helixtrans-64.9-46.4177-66.9-63.7-23.600111.3I22 V44 L45 F50 G51 L52I22-Q48 HydrophobicContact CD1-CB 4.21Å; I22-Q48 HydrophobicContact CG1-CB 4.17Å; I22-Q48 HydrophobicContact CG2-CB 3.86Å; I22-Q48 HydrophobicContact CG2-CG 4.5Å; V44-Q48 HydrophobicContact CG1-CG 4.45Å; V44-Q48 VanDerWaalsContact O-CG 3.29Å; V44-Q48 WeakPolarHBondContact O-CG 3.43Å; V44-Q48 PolarHBondContact O-N 3.05Å; L45-Q48 PolarHBondContact O-N 3.4Å; Q48-F50 PolarHBondContact O-N 3.44Å; Q48-G51 PolarHBondContact O-N 3.01Å; Q48-L52 PolarHBondContact O-N 2.73Å
49M97.1Very high93.9Very high33 Ų3365.4 Ų65.416%0.16334%0.336CS..Hα-helixtrans-61.2-43.7177.4-72.3-63.3-73.500111.7L45 D46 L52 Q53 M74 L77 E78 L81L45-M49 WeakPolarHBondContact O-CB 3.49Å; L45-M49 VanDerWaalsContact O-CG 3.31Å; L45-M49 WeakPolarHBondContact O-CG 3.28Å; L45-M49 PolarHBondContact O-N 2.78Å; D46-M49 PolarHBondContact O-N 2.85Å; M49-L52 PolarHBondContact O-N 3.5Å; M49-Q53 WeakPolarHBondContact O-CB 3.47Å; M49-Q53 PolarHBondContact O-N 3.47Å; M49-M74 HydrophobicContact CE-CE 3.78Å; M49-M74 HydrophobicContact SD-CE 4.43Å; M49-L77 HydrophobicContact CE-CD2 4.49Å; M49-L77 HydrophobicContact CE-CG 4.49Å; M49-L77 HydrophobicContact SD-CD2 3.48Å; M49-L77 WeakPolarHBondContact SD-CD2 3.34Å; M49-L77 HydrophobicContact SD-CG 3.75Å; M49-E78 HydrophobicContact CE-CB 4.15Å; M49-L81 HydrophobicContact CG-CD1 4.21Å; M49-L81 HydrophobicContact SD-CD1 3.53Å; M49-L81 VanDerWaalsContact SD-CD1 3.53Å
50F98.1Very high94.8Very high137 Ų13762.2 Ų62.260%0.60132%0.315SS*.Hα-helixtrans-62.7-44.8175.5-177.2-101.9000111.5D46 Q48 L52 Q53 K54D46-F50 VanDerWaalsContact O-CB 3.25Å; D46-F50 WeakPolarHBondContact O-CB 3.32Å; D46-F50 PolarHBondContact O-N 2.84Å; Q48-F50 PolarHBondContact O-N 3.44Å; F50-L52 PolarHBondContact O-N 2.91Å; F50-Q53 PolarHBondContact O-N 2.93Å; F50-K54 HydrophobicContact CD1-CG 4.18Å; F50-K54 HydrophobicContact CE1-CD 4.06Å; F50-K54 HydrophobicContact CE1-CG 3.84Å; F50-K54 HydrophobicContact CE2-CD 4.14Å; F50-K54 HydrophobicContact CZ-CD 3.76Å; F50-K54 HydrophobicContact CZ-CG 4.08Å; F50-K54 WeakPolarHBondContact O-CG 3.48Å; F50-K54 PolarHBondContact O-N 3.06Å
51G98.1Very high95.5Very high29 Ų2964.8 Ų64.830%0.29932%0.321SS..Hα-helixtrans-53.6-53.6175.900000112.2T47 Q48 Q53 K54 E55T47-G51 PolarHBondContact O-N 2.78Å; Q48-G51 PolarHBondContact O-N 3.01Å; G51-Q53 VanDerWaalsContact C-N 3.34Å; G51-Q53 PolarHBondContact O-N 3.39Å; G51-K54 WeakPolarHBondContact O-CB 3.31Å; G51-K54 PolarHBondContact O-N 3.22Å; G51-K54 VanDerWaalsContact O-N 3.11Å; G51-E55 PolarHBondContact O-N 3.43Å
52L98.5Very high96.1Very high3 Ų369.4 Ų69.42%0.01635%0.346CS..Hα-helixtrans-61.6-41177.6-17764.6000112.2L15 D18 A19 I22 Q48 M49 F50 K54 E55 V56 I73 M74 L77L15-L52 HydrophobicContact CD2-CD1 4.25Å; D18-L52 HydrophobicContact CB-CD1 3.95Å; A19-L52 HydrophobicContact CB-CD2 3.76Å; I22-L52 HydrophobicContact CD1-CB 3.79Å; I22-L52 HydrophobicContact CD1-CD2 4.13Å; I22-L52 HydrophobicContact CD1-CG 4.45Å; Q48-L52 PolarHBondContact O-N 2.73Å; M49-L52 PolarHBondContact O-N 3.5Å; F50-L52 PolarHBondContact O-N 2.91Å; L52-K54 PolarHBondContact O-N 3.45Å; L52-E55 WeakPolarHBondContact O-CB 3.25Å; L52-E55 PolarHBondContact O-N 3.02Å; L52-E55 VanDerWaalsContact O-N 3.08Å; L52-V56 HydrophobicContact CG-CG2 4.46Å; L52-V56 WeakPolarHBondContact O-CG2 3.39Å; L52-V56 PolarHBondContact O-N 3.24Å; L52-I73 HydrophobicContact CD2-CG2 4.49Å; L52-M74 HydrophobicContact CB-SD 4.24Å; L52-M74 HydrophobicContact CD2-CE 4.43Å; L52-M74 HydrophobicContact CD2-SD 3.63Å; L52-M74 HydrophobicContact CG-SD 3.69Å; L52-L77 HydrophobicContact CD2-CD2 3.47Å; L52-L77 VanDerWaalsContact CD2-CD2 3.47Å
53Q98.5Very high96.6Very high67 Ų6767.6 Ų67.631%0.31335%0.347SS..Hα-helixtrans-59.6-36.7176.5-175.360.669.300111.9M49 F50 G51 E55 V56 D57 M74M49-Q53 WeakPolarHBondContact O-CB 3.47Å; M49-Q53 PolarHBondContact O-N 3.47Å; F50-Q53 PolarHBondContact O-N 2.93Å; G51-Q53 VanDerWaalsContact C-N 3.34Å; G51-Q53 PolarHBondContact O-N 3.39Å; Q53-E55 VanDerWaalsContact C-N 3.35Å; Q53-V56 PolarHBondContact O-N 3.28Å; Q53-D57 PolarHBondContact NE2-OD1 3.06Å; Q53-D57 WeakPolarHBondContact O-CB 3.39Å; Q53-D57 VanDerWaalsContact O-CG 3.23Å; Q53-D57 PolarHBondContact O-N 3Å; Q53-M74 HydrophobicContact CB-CE 3.98Å
54K98.6Very high96.9Very high97 Ų9763.7 Ų63.742%0.42233%0.33SS..Hα-helixtrans-65.8-37.2175.3-65.2-50.7-61.5178.70112.4F50 G51 L52 F58F50-K54 HydrophobicContact CD1-CG 4.18Å; F50-K54 HydrophobicContact CE1-CD 4.06Å; F50-K54 HydrophobicContact CE1-CG 3.84Å; F50-K54 HydrophobicContact CE2-CD 4.14Å; F50-K54 HydrophobicContact CZ-CD 3.76Å; F50-K54 HydrophobicContact CZ-CG 4.08Å; F50-K54 WeakPolarHBondContact O-CG 3.48Å; F50-K54 PolarHBondContact O-N 3.06Å; G51-K54 WeakPolarHBondContact O-CB 3.31Å; G51-K54 PolarHBondContact O-N 3.22Å; G51-K54 VanDerWaalsContact O-N 3.11Å; L52-K54 PolarHBondContact O-N 3.45Å; K54-F58 WeakPolarHBondContact O-CB 3.47Å; K54-F58 PolarHBondContact O-N 2.79Å
55E98.4Very high97.3Very high94 Ų9462 Ų6244%0.43932%0.32SS..Hα-helixtrans-69-44.1176.3-65.3-177.6-161.600111.8L15 G51 L52 Q53 D57 F58 A59L15-E55 HydrophobicContact CD2-CB 3.75Å; G51-E55 PolarHBondContact O-N 3.43Å; L52-E55 WeakPolarHBondContact O-CB 3.25Å; L52-E55 PolarHBondContact O-N 3.02Å; L52-E55 VanDerWaalsContact O-N 3.08Å; Q53-E55 VanDerWaalsContact C-N 3.35Å; E55-D57 PolarHBondContact O-N 3.33Å; E55-F58 WeakPolarHBondContact O-CB 3.3Å; E55-F58 PolarHBondContact O-N 2.9Å; E55-A59 PolarHBondContact O-N 2.89Å
56V98.6Very high97.6Very high3 Ų365.8 Ų65.82%0.01834%0.34CS..Hα-helixtrans-57.2-50.2172.4172.30000110.2L15 L52 Q53 F58 A59 V60 G70 M74L15-V56 HydrophobicContact CD1-CG2 4.17Å; L15-V56 HydrophobicContact CD2-CG2 4.01Å; L52-V56 HydrophobicContact CG-CG2 4.46Å; L52-V56 WeakPolarHBondContact O-CG2 3.39Å; L52-V56 PolarHBondContact O-N 3.24Å; Q53-V56 PolarHBondContact O-N 3.28Å; V56-F58 VanDerWaalsContact C-N 3.26Å; V56-F58 PolarHBondContact O-N 2.95Å; V56-A59 PolarHBondContact O-N 3.27Å; V56-V60 HydrophobicContact CG1-CG2 4.31Å; V56-V60 WeakPolarHBondContact O-CB 3.34Å; V56-V60 VanDerWaalsContact O-CG2 3.28Å; V56-V60 WeakPolarHBondContact O-CG2 3.47Å; V56-V60 PolarHBondContact O-N 3.26Å; V56-G70 VanDerWaalsContact CG1-CA 3.5Å; V56-M74 HydrophobicContact CG2-CG 4.4Å; V56-M74 HydrophobicContact CG2-SD 4.1Å
57D98.5Very high97.8Very high44 Ų4468.4 Ų68.424%0.23534%0.342CS..Hα-helixtrans-57.9-40.4178-80.1-4.8000112.1Q53 E55 K61Q53-D57 PolarHBondContact NE2-OD1 3.06Å; Q53-D57 WeakPolarHBondContact O-CB 3.39Å; Q53-D57 VanDerWaalsContact O-CG 3.23Å; Q53-D57 PolarHBondContact O-N 3Å; E55-D57 PolarHBondContact O-N 3.33Å; D57-K61 WeakPolarHBondContact O-CB 3.46Å; D57-K61 WeakPolarHBondContact O-CD 3.35Å; D57-K61 WeakPolarHBondContact O-CG 3.31Å; D57-K61 PolarHBondContact O-N 2.9Å
58F98.5Very high97.8Very high134 Ų13468.5 Ų68.559%0.58834%0.336SS*.Hα-helixtrans-65-48177.5179.1-103.9000111.3K54 E55 V56 V60 K61 L62K54-F58 WeakPolarHBondContact O-CB 3.47Å; K54-F58 PolarHBondContact O-N 2.79Å; E55-F58 WeakPolarHBondContact O-CB 3.3Å; E55-F58 PolarHBondContact O-N 2.9Å; V56-F58 VanDerWaalsContact C-N 3.26Å; V56-F58 PolarHBondContact O-N 2.95Å; F58-V60 VanDerWaalsContact C-N 3.34Å; F58-V60 PolarHBondContact O-N 3.19Å; F58-K61 PolarHBondContact O-N 3.15Å; F58-L62 HydrophobicContact CD1-CD1 4.08Å; F58-L62 HydrophobicContact CE1-CD1 3.47Å; F58-L62 VanDerWaalsContact CE1-CD1 3.47Å; F58-L62 HydrophobicContact CE1-CG 4.39Å; F58-L62 HydrophobicContact CE2-CD1 4.27Å; F58-L62 HydrophobicContact CZ-CD1 3.59Å; F58-L62 HydrophobicContact CZ-CG 4.31Å; F58-L62 WeakPolarHBondContact O-CG 3.43Å; F58-L62 PolarHBondContact O-N 3.02Å
59A98.2Very high97.9Very high8 Ų868.6 Ų68.67%0.06634%0.338CS..Hα-helixtrans-63.1-38.5178.100000112.6L15 E55 V56 L62 G63 L64 V65L15-A59 HydrophobicContact CD1-CB 4.07Å; E55-A59 PolarHBondContact O-N 2.89Å; V56-A59 PolarHBondContact O-N 3.27Å; A59-L62 PolarHBondContact O-N 3.08Å; A59-G63 PolarHBondContact O-N 3.02Å; A59-L64 PolarHBondContact O-N 3.47Å; A59-V65 HydrophobicContact CB-CB 4.07Å; A59-V65 HydrophobicContact CB-CG2 3.75Å; A59-V65 PolarHBondContact O-N 3.38Å
60V98.2Very high97.9Very high30 Ų3067 Ų6718%0.18233%0.331CS..Hα-helixtrans-63.7-44.5173.91710000111V56 F58 L62 G63 V65 R67V56-V60 HydrophobicContact CG1-CG2 4.31Å; V56-V60 WeakPolarHBondContact O-CB 3.34Å; V56-V60 VanDerWaalsContact O-CG2 3.28Å; V56-V60 WeakPolarHBondContact O-CG2 3.47Å; V56-V60 PolarHBondContact O-N 3.26Å; F58-V60 VanDerWaalsContact C-N 3.34Å; F58-V60 PolarHBondContact O-N 3.19Å; V60-L62 VanDerWaalsContact C-N 3.25Å; V60-L62 PolarHBondContact O-N 2.87Å; V60-G63 PolarHBondContact O-N 2.86Å; V60-V65 WeakPolarHBondContact CA-O 3.43Å; V60-V65 HydrophobicContact CG2-CB 4.33Å; V60-V65 HydrophobicContact CG2-CG1 4.25Å; V60-V65 WeakPolarHBondContact CG2-O 3.49Å; V60-R67 HydrophobicContact CG1-CB 4.35Å
61K97.8Very high97.9Very high162 Ų16266 Ų6670%0.70433%0.326SS*.Hα-helixtrans-62.7-31.6177.4-76169.4-174.5176.40113D57 F58 G63D57-K61 WeakPolarHBondContact O-CB 3.46Å; D57-K61 WeakPolarHBondContact O-CD 3.35Å; D57-K61 WeakPolarHBondContact O-CG 3.31Å; D57-K61 PolarHBondContact O-N 2.9Å; F58-K61 PolarHBondContact O-N 3.15Å; K61-G63 VanDerWaalsContact C-N 3.25Å; K61-G63 PolarHBondContact O-N 3.14Å
62L97.1Very high97.9Very high98 Ų9869.3 Ų69.351%0.51333%0.334SS..THydrogen-bonded Turntrans-80.2-3.6174.1-65.6-176.3000113.6F58 A59 V60 L64F58-L62 HydrophobicContact CD1-CD1 4.08Å; F58-L62 HydrophobicContact CE1-CD1 3.47Å; F58-L62 VanDerWaalsContact CE1-CD1 3.47Å; F58-L62 HydrophobicContact CE1-CG 4.39Å; F58-L62 HydrophobicContact CE2-CD1 4.27Å; F58-L62 HydrophobicContact CZ-CD1 3.59Å; F58-L62 HydrophobicContact CZ-CG 4.31Å; F58-L62 WeakPolarHBondContact O-CG 3.43Å; F58-L62 PolarHBondContact O-N 3.02Å; A59-L62 PolarHBondContact O-N 3.08Å; V60-L62 VanDerWaalsContact C-N 3.25Å; V60-L62 PolarHBondContact O-N 2.87Å; L62-L64 HydrophobicContact CB-CD1 4.04Å; L62-L64 HydrophobicContact CB-CG 3.91Å; L62-L64 HydrophobicContact CD1-CD1 4.04Å; L62-L64 PolarHBondContact O-N 3.13Å
63G96.5Very high97.9Very high36 Ų3669.8 Ų69.837%0.37134%0.336SS..THydrogen-bonded Turntrans6722.7-175.700000113.4K8 A59 V60 K61K8-G63 VanDerWaalsContact CE-O 3.23Å; K8-G63 WeakPolarHBondContact CE-O 3.32Å; A59-G63 PolarHBondContact O-N 3.02Å; V60-G63 PolarHBondContact O-N 2.86Å; K61-G63 VanDerWaalsContact C-N 3.25Å; K61-G63 PolarHBondContact O-N 3.14Å
64L97.3Very high97.9Very high39 Ų3967.5 Ų67.520%0.20433%0.326CS..SBendtrans-86.4-26.3178-65177.4000112.3M7 K8 A11 A59 L62M7-L64 HydrophobicContact CB-CD2 3.97Å; K8-L64 WeakPolarHBondContact CA-O 3.36Å; K8-L64 WeakPolarHBondContact CB-O 3.43Å; K8-L64 WeakPolarHBondContact CG-O 3.5Å; A11-L64 HydrophobicContact CB-CB 3.91Å; A11-L64 HydrophobicContact CB-CD1 4.45Å; A59-L64 PolarHBondContact O-N 3.47Å; L62-L64 HydrophobicContact CB-CD1 4.04Å; L62-L64 HydrophobicContact CB-CG 3.91Å; L62-L64 HydrophobicContact CD1-CD1 4.04Å; L62-L64 PolarHBondContact O-N 3.13Å
65V97.7Very high97.9Very high5 Ų565.9 Ų65.93%0.0332%0.322CS..SBendtrans-133.9135.6-177.6172.80000108.4A11 L12 L15 A59 V60 D69A11-V65 HydrophobicContact CB-CG2 3.88Å; L12-V65 HydrophobicContact CD2-CB 4.42Å; L12-V65 HydrophobicContact CD2-CG1 3.84Å; L12-V65 HydrophobicContact CD2-CG2 3.97Å; L12-V65 HydrophobicContact CG-CG2 4.18Å; L15-V65 HydrophobicContact CD1-CG1 4.43Å; L15-V65 HydrophobicContact CD1-CG2 3.78Å; A59-V65 HydrophobicContact CB-CB 4.07Å; A59-V65 HydrophobicContact CB-CG2 3.75Å; A59-V65 PolarHBondContact O-N 3.38Å; V60-V65 WeakPolarHBondContact CA-O 3.43Å; V60-V65 HydrophobicContact CG2-CB 4.33Å; V60-V65 HydrophobicContact CG2-CG1 4.25Å; V60-V65 WeakPolarHBondContact CG2-O 3.49Å; V65-D69 HydrophobicContact CG1-CB 4.13Å
66D97.4Very high97.9Very high99 Ų9966 Ų6653%0.52932%0.318SS..  trans-73.9144173.1-72.4-43.6000109.9E68 D69 G70D66-E68 PolarHBondContact O-N 3.15Å; D66-E68 VanDerWaalsContact O-N 3.09Å; D66-D69 PolarHBondContact O-N 2.76Å; D66-D69 VanDerWaalsContact O-N 3.08Å; D66-G70 PolarHBondContact O-N 3.34Å
67R97.5Very high97.8Very high158 Ų15866 Ų6660%0.59632%0.318SS*.Hα-helixtrans-54.5-34.9-177178.5178.5-67.6-79.41.4112.3V60 K71V60-R67 HydrophobicContact CG1-CB 4.35Å; R67-K71 WeakPolarHBondContact O-CG 3.4Å; R67-K71 PolarHBondContact O-N 3.38Å; R67-K71 VanDerWaalsContact O-N 3.11Å
68E97.9Very high97.8Very high98 Ų9868.9 Ų68.946%0.45833%0.33SS..Hα-helixtrans-71.1-44.5179.6-167.854.3-146.200111.7D66 G70 K71 Q72D66-E68 PolarHBondContact O-N 3.15Å; D66-E68 VanDerWaalsContact O-N 3.09Å; E68-G70 VanDerWaalsContact C-N 3.28Å; E68-G70 PolarHBondContact O-N 2.9Å; E68-K71 WeakPolarHBondContact O-CB 3.43Å; E68-K71 PolarHBondContact O-N 3.09Å; E68-K71 VanDerWaalsContact O-N 3.1Å; E68-Q72 WeakPolarHBondContact O-CG 3.45Å; E68-Q72 PolarHBondContact O-N 3.23Å; E68-Q72 PolarHBondContact OE1-NE2 3.03Å
69D97.7Very high97.7Very high66 Ų6668 Ų6835%0.35333%0.326SS..Hα-helixtrans-58.4-44175.1-63.5-26.6000111.2L12 V65 D66 K71 Q72 I73L12-D69 HydrophobicContact CD2-CB 3.77Å; V65-D69 HydrophobicContact CG1-CB 4.13Å; D66-D69 PolarHBondContact O-N 2.76Å; D66-D69 VanDerWaalsContact O-N 3.08Å; D69-K71 VanDerWaalsContact C-N 3.34Å; D69-K71 PolarHBondContact O-N 3.47Å; D69-Q72 PolarHBondContact O-N 2.87Å; D69-I73 WeakPolarHBondContact O-CG1 3.39Å; D69-I73 PolarHBondContact O-N 3.46Å
70G98Very high97.6Very high1 Ų171 Ų711%0.0134%0.339CS..Hα-helixtrans-57.6-44.5174.800000112.8V56 D66 E68 I73 M74V56-G70 VanDerWaalsContact CG1-CA 3.5Å; D66-G70 PolarHBondContact O-N 3.34Å; E68-G70 VanDerWaalsContact C-N 3.28Å; E68-G70 PolarHBondContact O-N 2.9Å; G70-I73 PolarHBondContact O-N 3.39Å; G70-M74 WeakPolarHBondContact O-CG 3.46Å; G70-M74 PolarHBondContact O-N 3.24Å
71K97.9Very high97.4Very high115 Ų11569.9 Ų69.950%0.533%0.331SS..Hα-helixtrans-63.4-40.2175-75.4176.5177.7-177.40112.5R67 E68 D69 I73 M74 L75R67-K71 WeakPolarHBondContact O-CG 3.4Å; R67-K71 PolarHBondContact O-N 3.38Å; R67-K71 VanDerWaalsContact O-N 3.11Å; E68-K71 WeakPolarHBondContact O-CB 3.43Å; E68-K71 PolarHBondContact O-N 3.09Å; E68-K71 VanDerWaalsContact O-N 3.1Å; D69-K71 VanDerWaalsContact C-N 3.34Å; D69-K71 PolarHBondContact O-N 3.47Å; K71-I73 VanDerWaalsContact C-N 3.32Å; K71-I73 PolarHBondContact O-N 2.99Å; K71-M74 PolarHBondContact O-N 3.41Å; K71-L75 WeakPolarHBondContact O-CB 3.29Å; K71-L75 PolarHBondContact O-N 3.3Å
72Q98.1Very high97.1Very high98 Ų9864.7 Ų64.746%0.45832%0.316SS..Hα-helixtrans-65.2-36.2179.3-66.7-56.7-38.800111.8E68 D69 R76E68-Q72 WeakPolarHBondContact O-CG 3.45Å; E68-Q72 PolarHBondContact O-N 3.23Å; E68-Q72 PolarHBondContact OE1-NE2 3.03Å; D69-Q72 PolarHBondContact O-N 2.87Å; Q72-R76 VanDerWaalsContact O-CB 3.29Å; Q72-R76 WeakPolarHBondContact O-CB 3.31Å; Q72-R76 PolarHBondContact O-N 3.24Å
73I98.1Very high96.8Very high14 Ų1465.6 Ų65.67%0.07232%0.315CS..Hα-helixtrans-60.9-49.9173.2-66.6168000110.4L12 L15 A19 L52 D69 G70 K71 R76 L77L12-I73 HydrophobicContact CD2-CD1 4.35Å; L15-I73 HydrophobicContact CB-CD1 3.85Å; L15-I73 HydrophobicContact CD1-CD1 4.4Å; A19-I73 HydrophobicContact CB-CG2 4.03Å; L52-I73 HydrophobicContact CD2-CG2 4.49Å; D69-I73 WeakPolarHBondContact O-CG1 3.39Å; D69-I73 PolarHBondContact O-N 3.46Å; G70-I73 PolarHBondContact O-N 3.39Å; K71-I73 VanDerWaalsContact C-N 3.32Å; K71-I73 PolarHBondContact O-N 2.99Å; I73-R76 PolarHBondContact O-N 3.45Å; I73-L77 PolarHBondContact O-N 2.94Å; I73-L77 VanDerWaalsContact O-N 3.08Å
74M98.4Very high96.5Very high18 Ų1865 Ų659%0.08930%0.303CS..Hα-helixtrans-63.2-46.5-179.8-63.7-57.4-59.500112M49 L52 Q53 V56 G70 K71 R76 L77 E78M49-M74 HydrophobicContact CE-CE 3.78Å; M49-M74 HydrophobicContact SD-CE 4.43Å; L52-M74 HydrophobicContact CB-SD 4.24Å; L52-M74 HydrophobicContact CD2-CE 4.43Å; L52-M74 HydrophobicContact CD2-SD 3.63Å; L52-M74 HydrophobicContact CG-SD 3.69Å; Q53-M74 HydrophobicContact CB-CE 3.98Å; V56-M74 HydrophobicContact CG2-CG 4.4Å; V56-M74 HydrophobicContact CG2-SD 4.1Å; G70-M74 WeakPolarHBondContact O-CG 3.46Å; G70-M74 PolarHBondContact O-N 3.24Å; K71-M74 PolarHBondContact O-N 3.41Å; M74-R76 VanDerWaalsContact C-N 3.31Å; M74-R76 PolarHBondContact O-N 3.32Å; M74-L77 PolarHBondContact O-N 3.47Å; M74-E78 WeakPolarHBondContact O-CB 3.15Å; M74-E78 PolarHBondContact O-N 3.02Å
75L97.9Very high95.9Very high64 Ų6465.5 Ų65.534%0.33531%0.305SS..Hα-helixtrans-64.3-36.3179.8-177.565.4000112.1K71 K79K71-L75 WeakPolarHBondContact O-CB 3.29Å; K71-L75 PolarHBondContact O-N 3.3Å; L75-K79 HydrophobicContact CG-CD 4.4Å; L75-K79 WeakPolarHBondContact O-CB 3.39Å; L75-K79 VanDerWaalsContact O-CG 3.28Å; L75-K79 WeakPolarHBondContact O-CG 3.44Å; L75-K79 PolarHBondContact O-N 3.24Å; L75-K79 VanDerWaalsContact O-N 3.12Å
76R98.1Very high95.4Very high95 Ų9570.6 Ų70.636%0.35833%0.328SS..Hα-helixtrans-61.6-50.3173.1-179.7-172.971.7115.70.1110.1T16 D20 Q72 I73 M74 K79 E80T16-R76 PolarHBondContact O-NH2 3.32Å; D20-R76 IonicContact OD1-CZ 3.24Å; D20-R76 VanDerWaalsContact OD1-CZ 3.24Å; D20-R76 IonicContact OD1-NH1 2.78Å; D20-R76 PolarHBondContact OD1-NH1 3.2Å; D20-R76 IonicContact OD1-NH2 2.76Å; D20-R76 PolarHBondContact OD1-NH2 3.32Å; Q72-R76 VanDerWaalsContact O-CB 3.29Å; Q72-R76 WeakPolarHBondContact O-CB 3.31Å; Q72-R76 PolarHBondContact O-N 3.24Å; I73-R76 PolarHBondContact O-N 3.45Å; M74-R76 VanDerWaalsContact C-N 3.31Å; M74-R76 PolarHBondContact O-N 3.32Å; R76-K79 PolarHBondContact O-N 3.35Å; R76-E80 WeakPolarHBondContact O-CG 3.42Å; R76-E80 PolarHBondContact O-N 2.98Å; R76-E80 VanDerWaalsContact O-N 3.12Å
77L98Very high94.8Very high3 Ų368.7 Ų68.72%0.01633%0.326CS..Hα-helixtrans-61.6-47.9-178.9179.357.3000111.4A19 I22 L23 M49 L52 I73 M74 K79 E80 L81A19-L77 HydrophobicContact CB-CB 4.39Å; A19-L77 HydrophobicContact CB-CD2 4.06Å; A19-L77 WeakPolarHBondContact O-CD1 3.47Å; I22-L77 HydrophobicContact CB-CD2 4.3Å; I22-L77 HydrophobicContact CD1-CD2 4.18Å; I22-L77 HydrophobicContact CG2-CD1 4.37Å; I22-L77 HydrophobicContact CG2-CD2 4.15Å; L23-L77 HydrophobicContact CB-CD1 4.02Å; M49-L77 HydrophobicContact CE-CD2 4.49Å; M49-L77 HydrophobicContact CE-CG 4.49Å; M49-L77 HydrophobicContact SD-CD2 3.48Å; M49-L77 WeakPolarHBondContact SD-CD2 3.34Å; M49-L77 HydrophobicContact SD-CG 3.75Å; L52-L77 HydrophobicContact CD2-CD2 3.47Å; L52-L77 VanDerWaalsContact CD2-CD2 3.47Å; I73-L77 PolarHBondContact O-N 2.94Å; I73-L77 VanDerWaalsContact O-N 3.08Å; M74-L77 PolarHBondContact O-N 3.47Å; L77-K79 VanDerWaalsContact C-N 3.33Å; L77-K79 PolarHBondContact O-N 3.28Å; L77-E80 PolarHBondContact O-N 2.98Å; L77-E80 VanDerWaalsContact O-N 3.15Å; L77-L81 HydrophobicContact CD1-CD1 3.75Å; L77-L81 HydrophobicContact CD1-CD2 4.44Å; L77-L81 HydrophobicContact CD1-CG 3.9Å; L77-L81 HydrophobicContact CD2-CD1 4.37Å; L77-L81 HydrophobicContact CG-CD1 3.65Å; L77-L81 HydrophobicContact CG-CG 4.27Å; L77-L81 VanDerWaalsContact O-CG 3.31Å; L77-L81 WeakPolarHBondContact O-CG 3.29Å; L77-L81 PolarHBondContact O-N 2.86Å
78E96.8Very high94.1Very high106 Ų10664 Ų6450%0.49531%0.31SS..Hα-helixtrans-53.6-49176.9-175-178.1-175.200111.4M49 M74 E80 L81 S82M49-E78 HydrophobicContact CE-CB 4.15Å; M74-E78 WeakPolarHBondContact O-CB 3.15Å; M74-E78 PolarHBondContact O-N 3.02Å; E78-E80 PolarHBondContact O-N 2.87Å; E78-L81 PolarHBondContact O-N 2.64Å; E78-S82 PolarHBondContact O-N 3.07Å; E78-S82 PolarHBondContact O-OG 2.96Å
79K96.8Very high93.1Very high114 Ų11462.3 Ų62.350%0.49631%0.307SS..Hα-helixtrans-60.8-41.4178-75.2173.1-179.71750113.3L75 R76 L77 K83L75-K79 HydrophobicContact CG-CD 4.4Å; L75-K79 WeakPolarHBondContact O-CB 3.39Å; L75-K79 VanDerWaalsContact O-CG 3.28Å; L75-K79 WeakPolarHBondContact O-CG 3.44Å; L75-K79 PolarHBondContact O-N 3.24Å; L75-K79 VanDerWaalsContact O-N 3.12Å; R76-K79 PolarHBondContact O-N 3.35Å; L77-K79 VanDerWaalsContact C-N 3.33Å; L77-K79 PolarHBondContact O-N 3.28Å; K79-K83 VanDerWaalsContact O-CG 3.32Å; K79-K83 WeakPolarHBondContact O-CG 3.35Å; K79-K83 PolarHBondContact O-N 3.27Å; K79-K83 VanDerWaalsContact O-N 3.13Å
80E96.1Very high91.8Very high73 Ų7366.4 Ų66.434%0.34133%0.328SS..Hα-helixtrans-69.7-38.9179.2-67.5-58.8121.300111.5L23 R76 L77 E78 K83 L84L23-E80 HydrophobicContact CD1-CB 3.93Å; L23-E80 HydrophobicContact CD2-CB 3.86Å; L23-E80 HydrophobicContact CD2-CG 4.31Å; R76-E80 WeakPolarHBondContact O-CG 3.42Å; R76-E80 PolarHBondContact O-N 2.98Å; R76-E80 VanDerWaalsContact O-N 3.12Å; L77-E80 PolarHBondContact O-N 2.98Å; L77-E80 VanDerWaalsContact O-N 3.15Å; E78-E80 PolarHBondContact O-N 2.87Å; E80-K83 PolarHBondContact O-N 3.21Å; E80-K83 IonicContact OE1-NZ 2.73Å; E80-K83 PolarHBondContact OE1-NZ 3.47Å; E80-L84 WeakPolarHBondContact O-CB 3.38Å; E80-L84 PolarHBondContact O-N 3.38Å
81L93.6Very high89.7Confident6 Ų674.8 Ų74.83%0.03138%0.378CS..Hα-helixtrans-66.3-40.2174.5-67.7167.9000112L23 I26 L45 M49 L77 E78 L84 H85L23-L81 HydrophobicContact CD1-CD2 3.87Å; L23-L81 HydrophobicContact CD1-CG 4.39Å; I26-L81 HydrophobicContact CB-CD2 3.97Å; I26-L81 HydrophobicContact CG1-CD2 3.95Å; I26-L81 HydrophobicContact CG2-CD2 3.92Å; L45-L81 HydrophobicContact CD1-CB 4.38Å; L45-L81 HydrophobicContact CD1-CD1 3.65Å; L45-L81 HydrophobicContact CD1-CD2 3.77Å; L45-L81 HydrophobicContact CD1-CG 4.12Å; M49-L81 HydrophobicContact CG-CD1 4.21Å; M49-L81 HydrophobicContact SD-CD1 3.53Å; M49-L81 VanDerWaalsContact SD-CD1 3.53Å; L77-L81 HydrophobicContact CD1-CD1 3.75Å; L77-L81 HydrophobicContact CD1-CD2 4.44Å; L77-L81 HydrophobicContact CD1-CG 3.9Å; L77-L81 HydrophobicContact CD2-CD1 4.37Å; L77-L81 HydrophobicContact CG-CD1 3.65Å; L77-L81 HydrophobicContact CG-CG 4.27Å; L77-L81 VanDerWaalsContact O-CG 3.31Å; L77-L81 WeakPolarHBondContact O-CG 3.29Å; L77-L81 PolarHBondContact O-N 2.86Å; E78-L81 PolarHBondContact O-N 2.64Å; L81-L84 WeakPolarHBondContact O-CB 3.35Å; L81-L84 PolarHBondContact O-N 3.01Å; L81-H85 WeakPolarHBondContact O-CB 3.28Å; L81-H85 PolarHBondContact O-N 3.2Å
82S91.5Very high89.3Confident53 Ų5372.8 Ų72.837%0.37137%0.372SS..Hα-helixtrans-61.7-46175-58.40000111.9E78 L84 H85 E86E78-S82 PolarHBondContact O-N 3.07Å; E78-S82 PolarHBondContact O-OG 2.96Å; S82-L84 VanDerWaalsContact C-N 3.27Å; S82-L84 PolarHBondContact O-N 2.99Å; S82-H85 PolarHBondContact O-N 3.1Å; S82-E86 WeakPolarHBondContact O-CB 3.23Å; S82-E86 WeakPolarHBondContact O-CG 3.27Å; S82-E86 PolarHBondContact O-N 2.88Å
83K92.1Very high88.8Confident116 Ų11671.4 Ų71.450%0.50437%0.367SS..Hα-helixtrans-59.3-41.2175.2-71.5171.2-171.6169.80111.9K79 E80 A87K79-K83 VanDerWaalsContact O-CG 3.32Å; K79-K83 WeakPolarHBondContact O-CG 3.35Å; K79-K83 PolarHBondContact O-N 3.27Å; K79-K83 VanDerWaalsContact O-N 3.13Å; E80-K83 PolarHBondContact O-N 3.21Å; E80-K83 IonicContact OE1-NZ 2.73Å; E80-K83 PolarHBondContact OE1-NZ 3.47Å; K83-A87 WeakPolarHBondContact O-CB 3.38Å; K83-A87 PolarHBondContact O-N 3.47Å
84L89.3Confident88.3Confident24 Ų2474.6 Ų74.613%0.12638%0.384CS..Hα-helixtrans-64.6-47.3178.4-173.166.6000110.3L23 I26 K27 L30 E80 L81 S82 E86 A87 F88L23-L84 HydrophobicContact CD1-CD2 4.23Å; I26-L84 HydrophobicContact CB-CD2 4.38Å; I26-L84 HydrophobicContact CG2-CD2 3.76Å; K27-L84 HydrophobicContact CB-CD2 4.09Å; K27-L84 HydrophobicContact CG-CD1 4.41Å; L30-L84 HydrophobicContact CD1-CD1 4.25Å; L30-L84 HydrophobicContact CD1-CD2 3.74Å; L30-L84 HydrophobicContact CD1-CG 3.54Å; E80-L84 WeakPolarHBondContact O-CB 3.38Å; E80-L84 PolarHBondContact O-N 3.38Å; L81-L84 WeakPolarHBondContact O-CB 3.35Å; L81-L84 PolarHBondContact O-N 3.01Å; S82-L84 VanDerWaalsContact C-N 3.27Å; S82-L84 PolarHBondContact O-N 2.99Å; L84-E86 PolarHBondContact O-N 2.94Å; L84-A87 PolarHBondContact O-N 3.29Å; L84-F88 HydrophobicContact CD1-CD2 4.24Å; L84-F88 HydrophobicContact CD1-CE2 3.7Å; L84-F88 HydrophobicContact CG-CE2 4.4Å; L84-F88 VanDerWaalsContact O-CD2 3.28Å; L84-F88 WeakPolarHBondContact O-CD2 3.47Å; L84-F88 PolarHBondContact O-N 3.48Å
85H85.9Confident87.7Confident49 Ų4977.9 Ų77.923%0.22740%0.401CS..Hα-helixtrans-60.4-44.6176.1178.4-89.2000112.7Y41 E42 L81 S82 A87 F88 T89Y41-H85 AromaticContact CE1-CD2 3.89Å; E42-H85 IonicContact OE1-CD2 3.8Å; E42-H85 IonicContact OE1-NE2 3.62Å; L81-H85 WeakPolarHBondContact O-CB 3.28Å; L81-H85 PolarHBondContact O-N 3.2Å; S82-H85 PolarHBondContact O-N 3.1Å; H85-A87 PolarHBondContact O-N 2.96Å; H85-F88 PolarHBondContact O-N 3.27Å; H85-T89 PolarHBondContact CE1-OG1 3.17Å; H85-T89 VanDerWaalsContact CE1-OG1 3.3Å; H85-T89 WeakPolarHBondContact O-CB 3.4Å; H85-T89 PolarHBondContact O-N 2.98Å; H85-T89 PolarHBondContact O-OG1 3.34Å
86E86.5Confident87.1Confident113 Ų11378.8 Ų78.853%0.52841%0.405SS..Hα-helixtrans-59.5-44.1175.6-74.9173-170.100112S82 L84 F88 T89 L90S82-E86 WeakPolarHBondContact O-CB 3.23Å; S82-E86 WeakPolarHBondContact O-CG 3.27Å; S82-E86 PolarHBondContact O-N 2.88Å; L84-E86 PolarHBondContact O-N 2.94Å; E86-F88 PolarHBondContact O-N 2.9Å; E86-T89 PolarHBondContact O-N 2.86Å; E86-L90 WeakPolarHBondContact O-CB 3.4Å; E86-L90 WeakPolarHBondContact O-CG 3.46Å; E86-L90 PolarHBondContact O-N 2.83Å; E86-L90 VanDerWaalsContact O-N 3.07Å
87A86.1Confident86.4Confident59 Ų5977.7 Ų77.749%0.48841%0.409SS..Hα-helixtrans-61.6-29.4-178.900000113.4K83 L84 H85 V91K83-A87 WeakPolarHBondContact O-CB 3.38Å; K83-A87 PolarHBondContact O-N 3.47Å; L84-A87 PolarHBondContact O-N 3.29Å; H85-A87 PolarHBondContact O-N 2.96Å; A87-V91 WeakPolarHBondContact O-CG2 3.37Å
88F81Confident85.5Confident60 Ų6083.1 Ų83.126%0.26344%0.437SS..Hα-helixtrans-96.2-17.8178.1-75.3-104.5000113.8L30 D31 P36 L84 H85 E86L30-F88 HydrophobicContact CB-CD1 4.02Å; L30-F88 HydrophobicContact CB-CD2 4.29Å; L30-F88 HydrophobicContact CB-CE1 3.67Å; L30-F88 HydrophobicContact CB-CE2 3.95Å; L30-F88 HydrophobicContact CB-CG 4.32Å; L30-F88 HydrophobicContact CB-CZ 3.62Å; L30-F88 HydrophobicContact CD1-CD2 3.91Å; L30-F88 HydrophobicContact CD1-CE2 4.03Å; L30-F88 HydrophobicContact CD1-CG 4.31Å; L30-F88 HydrophobicContact CD2-CG 4.48Å; D31-F88 WeakPolarHBondContact OD1-CZ 3.41Å; P36-F88 HydrophobicContact CB-CB 4.29Å; P36-F88 HydrophobicContact CG-CB 3.26Å; P36-F88 HydrophobicContact CG-CG 4.26Å; L84-F88 HydrophobicContact CD1-CD2 4.24Å; L84-F88 HydrophobicContact CD1-CE2 3.7Å; L84-F88 HydrophobicContact CG-CE2 4.4Å; L84-F88 VanDerWaalsContact O-CD2 3.28Å; L84-F88 WeakPolarHBondContact O-CD2 3.47Å; L84-F88 PolarHBondContact O-N 3.48Å; H85-F88 PolarHBondContact O-N 3.27Å; E86-F88 PolarHBondContact O-N 2.9Å
89T78.1Confident84.7Confident62 Ų6281.3 Ų81.338%0.3843%0.432SS..Hα-helixtrans-87.4-20.8177-53.30000112.3H85 E86 V91H85-T89 PolarHBondContact CE1-OG1 3.17Å; H85-T89 VanDerWaalsContact CE1-OG1 3.3Å; H85-T89 WeakPolarHBondContact O-CB 3.4Å; H85-T89 PolarHBondContact O-N 2.98Å; H85-T89 PolarHBondContact O-OG1 3.34Å; E86-T89 PolarHBondContact O-N 2.86Å; T89-V91 VanDerWaalsContact C-N 3.31Å
90L70.2Confident83.7Confident152 Ų15278.6 Ų78.680%0.79643%0.427SS*.  trans-88.99.8176.8-66.6174.1000113.9E86E86-L90 WeakPolarHBondContact O-CB 3.4Å; E86-L90 WeakPolarHBondContact O-CG 3.46Å; E86-L90 PolarHBondContact O-N 2.83Å; E86-L90 VanDerWaalsContact O-N 3.07Å
91V53.9Low82.5Confident176 Ų17679.1 Ų79.1100%1.06744%0.435SS*.  trans-103.40174.31800000109.7A87 T89A87-V91 WeakPolarHBondContact O-CG2 3.37Å; T89-V91 VanDerWaalsContact C-N 3.31Å

Retrieved 91 of 91 residues in 73.8 ms (Link to these results)

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