A0A093HVL0_STRCA Loading...

Ankyrin repeat and SAM domain-containing protein 4B

AlphaFold DB , UniProt , Accession A0A093HVL0, Species STRCA (Struthio camelus australis), Gene n/a, Length 413 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
1M48.8Very low85.3Confident190 Ų19063.8 Ų63.894%0.93632%0.323SS*.  01260-93.8170173.600107.3T3 E30M1-T3 PolarHBondContact O-N 3.05Å; M1-E30 PolarHBondContact N-OE1 3.33Å
2S62.4Low85.8Confident74 Ų7460.2 Ų60.252%0.51731%0.313SS..  trans-65.2128.1169.7-173.90000109.4H6S2-H6 WeakPolarHBondContact OG-CB 3.29Å
3T82.1Confident86.5Confident42 Ų4260.8 Ų60.826%0.25832%0.317SS..  trans-80165.5-174.479.30000111.4M1 Y5 H6 K7M1-T3 PolarHBondContact O-N 3.05Å; T3-Y5 PolarHBondContact O-N 2.7Å; T3-Y5 PolarHBondContact OG1-N 3.33Å; T3-H6 VanDerWaalsContact CB-ND1 3.34Å; T3-H6 WeakPolarHBondContact CB-ND1 3.42Å; T3-H6 WeakPolarHBondContact CG2-ND1 3.4Å; T3-H6 PolarHBondContact N-ND1 3.02Å; T3-H6 WeakPolarHBondContact O-CB 3.28Å; T3-H6 PolarHBondContact O-N 3.4Å; T3-H6 VanDerWaalsContact O-N 3.13Å; T3-H6 PolarHBondContact OG1-CE1 2.77Å; T3-H6 PolarHBondContact OG1-N 3.43Å; T3-H6 PolarHBondContact OG1-ND1 2.77Å; T3-K7 PolarHBondContact O-N 2.94Å
4R90.8Very high87Confident119 Ų11960.5 Ų60.545%0.44932%0.315SS..Hα-helixtrans-52.1-31.7174.170.9-175.7-75.5-1453.6112.7A8 L16 E19R4-A8 PolarHBondContact O-N 3.28Å; R4-A8 VanDerWaalsContact O-N 3.13Å; R4-L16 VanDerWaalsContact NH2-CD2 3.35Å; R4-E19 IonicContact CZ-OE1 3.28Å; R4-E19 IonicContact CZ-OE2 3.86Å; R4-E19 IonicContact NH1-OE1 3.57Å; R4-E19 PolarHBondContact NH1-OE1 2.95Å; R4-E19 IonicContact NH1-OE2 3.58Å; R4-E19 PolarHBondContact NH1-OE2 2.89Å; R4-E19 IonicContact NH2-OE1 2.85Å; R4-E19 IonicContact NH2-OE2 3.68Å; R4-E19 PolarHBondContact NH2-OE2 3.32Å
5Y93.1Very high87.4Confident17 Ų1764.9 Ų64.97%0.06733%0.334CS..Hα-helixtrans-84.9-27.2-175.7-55.2-69.2000113T3 A8 A9 L16 A20 D24T3-Y5 PolarHBondContact O-N 2.7Å; T3-Y5 PolarHBondContact OG1-N 3.33Å; Y5-A8 PolarHBondContact O-N 3.36Å; Y5-A9 WeakPolarHBondContact O-CB 3.45Å; Y5-A9 PolarHBondContact O-N 2.93Å; Y5-L16 WeakPolarHBondContact CE1-O 3.29Å; Y5-A20 HydrophobicContact CD1-CB 3.57Å; Y5-A20 HydrophobicContact CE1-CB 3.61Å; Y5-A20 HydrophobicContact CG-CB 4.04Å; Y5-D24 HydrophobicContact CD2-CB 3.51Å; Y5-D24 HydrophobicContact CE2-CB 3.58Å; Y5-D24 VanDerWaalsContact CE2-CG 3.46Å; Y5-D24 WeakPolarHBondContact CE2-OD2 3.47Å; Y5-D24 HydrophobicContact CG-CB 4.39Å
6H93.6Very high87.7Confident1 Ų164.3 Ų64.31%0.00533%0.331CS..Hα-helixtrans-59.8-49.9169.4-69.987.6000110.1S2 T3 A8 A9 A10 T27 D29 M33 L38S2-H6 WeakPolarHBondContact OG-CB 3.29Å; T3-H6 VanDerWaalsContact CB-ND1 3.34Å; T3-H6 WeakPolarHBondContact CB-ND1 3.42Å; T3-H6 WeakPolarHBondContact CG2-ND1 3.4Å; T3-H6 PolarHBondContact N-ND1 3.02Å; T3-H6 WeakPolarHBondContact O-CB 3.28Å; T3-H6 PolarHBondContact O-N 3.4Å; T3-H6 VanDerWaalsContact O-N 3.13Å; T3-H6 PolarHBondContact OG1-CE1 2.77Å; T3-H6 PolarHBondContact OG1-N 3.43Å; T3-H6 PolarHBondContact OG1-ND1 2.77Å; H6-A8 PolarHBondContact O-N 2.9Å; H6-A9 PolarHBondContact O-N 3.35Å; H6-A10 WeakPolarHBondContact O-CB 3.22Å; H6-A10 PolarHBondContact O-N 2.92Å; H6-T27 PolarHBondContact CE1-O 3.1Å; H6-T27 PolarHBondContact CE1-OG1 3.12Å; H6-T27 PolarHBondContact NE2-O 3.12Å; H6-T27 VanDerWaalsContact NE2-O 3.11Å; H6-D29 IonicContact CD2-OD2 2.82Å; H6-D29 PolarHBondContact NE2-N 3.45Å; H6-M33 PolarHBondContact CD2-O 3.38Å; H6-M33 VanDerWaalsContact CD2-O 3.27Å; H6-M33 PolarHBondContact NE2-O 3.45Å; H6-L38 HydrophobicContact CB-CD1 3.6Å; H6-L38 WeakPolarHBondContact O-CD1 3.38Å
7K92.8Very high88Confident136 Ų13660.5 Ų60.559%0.59131%0.312SS*.Hα-helixtrans-62.7-42.9176-173.6171.2-178.2179.50112.1T3 A9 A10 D11T3-K7 PolarHBondContact O-N 2.94Å; K7-A9 VanDerWaalsContact C-N 3.29Å; K7-A9 PolarHBondContact O-N 2.91Å; K7-A10 PolarHBondContact O-N 2.83Å; K7-D11 VanDerWaalsContact CE-OD2 3.27Å; K7-D11 WeakPolarHBondContact CE-OD2 3.29Å; K7-D11 WeakPolarHBondContact CG-OD2 3.41Å; K7-D11 WeakPolarHBondContact O-CB 3.29Å; K7-D11 PolarHBondContact O-N 3.21Å
8A94.1Very high88.2Confident2 Ų261.9 Ų61.92%0.01732%0.315CS..Hα-helixtrans-59.7-39.4176.500000112.6R4 Y5 H6 G12 N13 L16 L17R4-A8 PolarHBondContact O-N 3.28Å; R4-A8 VanDerWaalsContact O-N 3.13Å; Y5-A8 PolarHBondContact O-N 3.36Å; H6-A8 PolarHBondContact O-N 2.9Å; A8-G12 CarbonylContact O-C 3.25Å; A8-G12 PolarHBondContact O-N 3.25Å; A8-N13 HydrophobicContact CB-CB 4.33Å; A8-N13 PolarHBondContact O-N 3.49Å; A8-L16 HydrophobicContact CB-CB 3.74Å; A8-L16 HydrophobicContact CB-CD1 4.12Å; A8-L17 HydrophobicContact CB-CD2 3.97Å; A8-L17 HydrophobicContact CB-CG 4.08Å
9A94.3Very high88.4Confident0 Ų064.7 Ų64.70%033%0.327CS..Hα-helixtrans-68.5-38.917500000112.7Y5 H6 K7 D11 G12 L17 P35 L38 A39 Y44Y5-A9 WeakPolarHBondContact O-CB 3.45Å; Y5-A9 PolarHBondContact O-N 2.93Å; H6-A9 PolarHBondContact O-N 3.35Å; K7-A9 VanDerWaalsContact C-N 3.29Å; K7-A9 PolarHBondContact O-N 2.91Å; A9-D11 VanDerWaalsContact C-N 3.33Å; A9-G12 PolarHBondContact O-N 3.49Å; A9-L17 HydrophobicContact CB-CD2 4.13Å; A9-P35 HydrophobicContact CB-CB 3.93Å; A9-P35 WeakPolarHBondContact CB-O 3.4Å; A9-L38 HydrophobicContact CB-CB 4.1Å; A9-A39 HydrophobicContact CB-CB 4.34Å; A9-Y44 WeakPolarHBondContact O-CD2 3.31Å
10A93Very high88.5Confident21 Ų2161.8 Ų61.817%0.17431%0.313CS..Hα-helixtrans-71.4-25.3176.800000113.9H6 K7 Y44H6-A10 WeakPolarHBondContact O-CB 3.22Å; H6-A10 PolarHBondContact O-N 2.92Å; K7-A10 PolarHBondContact O-N 2.83Å; A10-Y44 VanDerWaalsContact O-CE2 3.25Å; A10-Y44 WeakPolarHBondContact O-CE2 3.27Å
11D92.8Very high88.6Confident100 Ų10062.3 Ų62.354%0.53532%0.319SS..Hα-helixtrans-95.4-7176.6-66.1-20.8000112.3K7 A9 N13K7-D11 VanDerWaalsContact CE-OD2 3.27Å; K7-D11 WeakPolarHBondContact CE-OD2 3.29Å; K7-D11 WeakPolarHBondContact CG-OD2 3.41Å; K7-D11 WeakPolarHBondContact O-CB 3.29Å; K7-D11 PolarHBondContact O-N 3.21Å; A9-D11 VanDerWaalsContact C-N 3.33Å; D11-N13 VanDerWaalsContact C-N 3.32Å; D11-N13 PolarHBondContact O-N 3.24Å
12G92.3Very high90.6Very high20 Ų2062.1 Ų62.121%0.20631%0.308CS..THydrogen-bonded Turntrans70.522.3-175.700000114.5A8 A9 L14A8-G12 CarbonylContact O-C 3.25Å; A8-G12 PolarHBondContact O-N 3.25Å; A9-G12 PolarHBondContact O-N 3.49Å; G12-L14 PolarHBondContact O-N 2.74Å; G12-L14 VanDerWaalsContact O-N 3.09Å
13N94.1Very high91.9Very high68 Ų6866.4 Ų66.436%0.36432%0.317SS..  trans-78.895.6-176.4-171.7-21.1000112.2A8 D11 E15 L16 L17A8-N13 HydrophobicContact CB-CB 4.33Å; A8-N13 PolarHBondContact O-N 3.49Å; D11-N13 VanDerWaalsContact C-N 3.32Å; D11-N13 PolarHBondContact O-N 3.24Å; N13-E15 PolarHBondContact O-N 3Å; N13-E15 PolarHBondContact OD1-N 3.21Å; N13-L16 PolarHBondContact O-N 3.07Å; N13-L17 WeakPolarHBondContact O-CG 3.47Å; N13-L17 PolarHBondContact O-N 2.87Å
14L94.3Very high92.4Very high57 Ų5766.4 Ų66.430%0.29832%0.316SS..Hα-helixtrans-62.2-37.1-176-54.5-179.7000113.9G12 L16 L17 K18 E46 A47G12-L14 PolarHBondContact O-N 2.74Å; G12-L14 VanDerWaalsContact O-N 3.09Å; L14-L16 PolarHBondContact O-N 3.45Å; L14-L17 PolarHBondContact O-N 2.85Å; L14-K18 VanDerWaalsContact O-CG 3.27Å; L14-K18 WeakPolarHBondContact O-CG 3.4Å; L14-K18 PolarHBondContact O-N 2.84Å; L14-E46 HydrophobicContact CD1-CB 4.03Å; L14-E46 HydrophobicContact CD2-CB 3.82Å; L14-A47 HydrophobicContact CD2-CB 3.95Å
15E92.5Very high92.4Very high126 Ų12660.8 Ų60.859%0.58930%0.295SS*.Hα-helixtrans-65.6-40.8-174.8-64.1-53.8122.900111.5N13 K18N13-E15 PolarHBondContact O-N 3Å; N13-E15 PolarHBondContact OD1-N 3.21Å; E15-K18 PolarHBondContact O-N 2.97Å; E15-K18 IonicContact OE1-NZ 2.74Å; E15-K18 PolarHBondContact OE1-NZ 3.36Å; E15-K18 IonicContact OE2-NZ 3.92Å
16L92.4Very high92.4Very high56 Ų5661.3 Ų61.329%0.29330%0.299SS..Hα-helixtrans-70.2-37.1175.3-72.4178.2000112.4R4 Y5 A8 N13 L14 K18 E19R4-L16 VanDerWaalsContact NH2-CD2 3.35Å; Y5-L16 WeakPolarHBondContact CE1-O 3.29Å; A8-L16 HydrophobicContact CB-CB 3.74Å; A8-L16 HydrophobicContact CB-CD1 4.12Å; N13-L16 PolarHBondContact O-N 3.07Å; L14-L16 PolarHBondContact O-N 3.45Å; L16-K18 VanDerWaalsContact C-N 3.3Å; L16-K18 PolarHBondContact O-N 3.32Å; L16-E19 PolarHBondContact O-N 2.93Å
17L92.4Very high92.3Very high0 Ų063.2 Ų63.20%031%0.31CS..Hα-helixtrans-69.3-29.4178.5-66.1171.3000112.4A8 A9 N13 L14 E19 A20 A47 V50 V51A8-L17 HydrophobicContact CB-CD2 3.97Å; A8-L17 HydrophobicContact CB-CG 4.08Å; A9-L17 HydrophobicContact CB-CD2 4.13Å; N13-L17 WeakPolarHBondContact O-CG 3.47Å; N13-L17 PolarHBondContact O-N 2.87Å; L14-L17 PolarHBondContact O-N 2.85Å; L17-E19 VanDerWaalsContact C-N 3.25Å; L17-E19 PolarHBondContact O-N 2.97Å; L17-A20 WeakPolarHBondContact O-CB 3.26Å; L17-A20 PolarHBondContact O-N 2.91Å; L17-A47 HydrophobicContact CD1-CB 3.63Å; L17-V50 HydrophobicContact CB-CG1 4.01Å; L17-V51 HydrophobicContact CB-CG2 4.42Å; L17-V51 HydrophobicContact CD1-CG2 4.06Å; L17-V51 HydrophobicContact CD2-CG2 3.86Å; L17-V51 HydrophobicContact CG-CG2 4.33Å
18K92.8Very high92.2Very high86 Ų8661 Ų6137%0.37431%0.305SS..Hα-helixtrans-65.4-27.3173-74168.6-172.1169.70112.7L14 E15 L16 A20 V50 R54L14-K18 VanDerWaalsContact O-CG 3.27Å; L14-K18 WeakPolarHBondContact O-CG 3.4Å; L14-K18 PolarHBondContact O-N 2.84Å; E15-K18 PolarHBondContact O-N 2.97Å; E15-K18 IonicContact OE1-NZ 2.74Å; E15-K18 PolarHBondContact OE1-NZ 3.36Å; E15-K18 IonicContact OE2-NZ 3.92Å; L16-K18 VanDerWaalsContact C-N 3.3Å; L16-K18 PolarHBondContact O-N 3.32Å; K18-A20 VanDerWaalsContact C-N 3.35Å; K18-V50 HydrophobicContact CG-CG1 3.98Å; K18-R54 PolarHBondContact O-NE 3.4Å; K18-R54 PolarHBondContact O-NH2 2.93Å
19E91.9Very high92.1Very high114 Ų11462 Ų6253%0.53331%0.31SS..Hα-helixtrans-80.6-17.2177.7-161.2-164.714400112.5R4 L16 L17R4-E19 IonicContact CZ-OE1 3.28Å; R4-E19 IonicContact CZ-OE2 3.86Å; R4-E19 IonicContact NH1-OE1 3.57Å; R4-E19 PolarHBondContact NH1-OE1 2.95Å; R4-E19 IonicContact NH1-OE2 3.58Å; R4-E19 PolarHBondContact NH1-OE2 2.89Å; R4-E19 IonicContact NH2-OE1 2.85Å; R4-E19 IonicContact NH2-OE2 3.68Å; R4-E19 PolarHBondContact NH2-OE2 3.32Å; L16-E19 PolarHBondContact O-N 2.93Å; L17-E19 VanDerWaalsContact C-N 3.25Å; L17-E19 PolarHBondContact O-N 2.97Å
20A90.4Very high91.8Very high6 Ų668.9 Ų68.95%0.0534%0.342CS..  trans-66.7143.1-170.700000113.2Y5 L17 K18 L25Y5-A20 HydrophobicContact CD1-CB 3.57Å; Y5-A20 HydrophobicContact CE1-CB 3.61Å; Y5-A20 HydrophobicContact CG-CB 4.04Å; L17-A20 WeakPolarHBondContact O-CB 3.26Å; L17-A20 PolarHBondContact O-N 2.91Å; K18-A20 VanDerWaalsContact C-N 3.35Å; A20-L25 HydrophobicContact CB-CD1 4.21Å; A20-L25 HydrophobicContact CB-CD2 3.65Å; A20-L25 HydrophobicContact CB-CG 3.84Å
21T90.2Very high91.4Very high74 Ų7472.1 Ų72.145%0.45436%0.356SS..  trans-88160.917272.70000111.5K23 D24 L25T21-K23 PolarHBondContact O-N 3.13Å; T21-D24 WeakPolarHBondContact CB-OD2 3.49Å; T21-D24 PolarHBondContact N-OD2 3.38Å; T21-D24 WeakPolarHBondContact O-CB 3.39Å; T21-D24 PolarHBondContact O-N 3.18Å; T21-D24 VanDerWaalsContact O-N 3.09Å; T21-D24 PolarHBondContact OG1-N 3.37Å; T21-D24 PolarHBondContact OG1-OD2 2.74Å; T21-L25 WeakPolarHBondContact O-CG 3.47Å; T21-L25 PolarHBondContact O-N 3.02Å; T21-L25 VanDerWaalsContact O-N 3.15Å
22R91.5Very high91.3Very high185 Ų18567.7 Ų67.770%0.69833%0.334SS*.Hα-helixtrans-54-38175.1-177.3176.8-177.6-173.62.1112.7N26R22-N26 PolarHBondContact O-N 3.19Å; R22-N26 PolarHBondContact O-ND2 2.81Å
23K89.6Confident91.4Very high164 Ų16467.4 Ų67.471%0.71333%0.327SS*.Hα-helixtrans-65.9-45.3179.2-176.5179.8176.6-177.90110.6T21 L25 N26 T27T21-K23 PolarHBondContact O-N 3.13Å; K23-L25 VanDerWaalsContact C-N 3.32Å; K23-L25 PolarHBondContact O-N 3.15Å; K23-N26 PolarHBondContact O-N 3.4Å; K23-T27 WeakPolarHBondContact O-CG2 3.46Å; K23-T27 PolarHBondContact O-N 3.38Å
24D90.8Very high91.4Very high43 Ų4364.1 Ų64.123%0.2331%0.31CS..Hα-helixtrans-60.6-43.3-178.4-61.1-38.1000111.6Y5 T21 N26 T27Y5-D24 HydrophobicContact CD2-CB 3.51Å; Y5-D24 HydrophobicContact CE2-CB 3.58Å; Y5-D24 VanDerWaalsContact CE2-CG 3.46Å; Y5-D24 WeakPolarHBondContact CE2-OD2 3.47Å; Y5-D24 HydrophobicContact CG-CB 4.39Å; T21-D24 WeakPolarHBondContact CB-OD2 3.49Å; T21-D24 PolarHBondContact N-OD2 3.38Å; T21-D24 WeakPolarHBondContact O-CB 3.39Å; T21-D24 PolarHBondContact O-N 3.18Å; T21-D24 VanDerWaalsContact O-N 3.09Å; T21-D24 PolarHBondContact OG1-N 3.37Å; T21-D24 PolarHBondContact OG1-OD2 2.74Å; D24-N26 PolarHBondContact O-N 3.18Å; D24-T27 PolarHBondContact O-N 3.46Å; D24-T27 PolarHBondContact O-OG1 3.35Å
25L92.2Very high91.4Very high0 Ų061.4 Ų61.40%030%0.296CS..Hα-helixtrans-69.2-14.2-179.7-63.4176.1000114.5A20 T21 K23 P35 V51 R54A20-L25 HydrophobicContact CB-CD1 4.21Å; A20-L25 HydrophobicContact CB-CD2 3.65Å; A20-L25 HydrophobicContact CB-CG 3.84Å; T21-L25 WeakPolarHBondContact O-CG 3.47Å; T21-L25 PolarHBondContact O-N 3.02Å; T21-L25 VanDerWaalsContact O-N 3.15Å; K23-L25 VanDerWaalsContact C-N 3.32Å; K23-L25 PolarHBondContact O-N 3.15Å; L25-P35 HydrophobicContact CD2-CB 3.95Å; L25-P35 HydrophobicContact CD2-CG 4.33Å; L25-P35 WeakPolarHBondContact O-CD 3.35Å; L25-V51 HydrophobicContact CB-CG1 4.43Å; L25-V51 HydrophobicContact CD1-CG1 4.23Å; L25-V51 HydrophobicContact CD2-CB 4.47Å; L25-V51 HydrophobicContact CD2-CG1 4.01Å; L25-V51 HydrophobicContact CD2-CG2 3.98Å; L25-V51 HydrophobicContact CG-CG1 4.45Å; L25-R54 HydrophobicContact CD1-CB 3.37Å; L25-R54 HydrophobicContact CD1-CG 4.49Å
26N92.5Very high91.6Very high29 Ų2955.4 Ų55.416%0.15527%0.268CS..THydrogen-bonded Turntrans-112.77.7179.9-68.8-56.3000113.2R22 K23 D24 G55 D57 K60R22-N26 PolarHBondContact O-N 3.19Å; R22-N26 PolarHBondContact O-ND2 2.81Å; K23-N26 PolarHBondContact O-N 3.4Å; D24-N26 PolarHBondContact O-N 3.18Å; N26-G55 PolarHBondContact ND2-O 3.45Å; N26-D57 WeakPolarHBondContact OD1-CB 3.3Å; N26-D57 PolarHBondContact OD1-N 3.33Å; N26-K60 PolarHBondContact O-NZ 3.12Å
27T91.7Very high91.7Very high40 Ų4052.8 Ų52.825%0.24525%0.254CS..  trans-77.4141.6171.9620000111H6 K23 D24H6-T27 PolarHBondContact CE1-O 3.1Å; H6-T27 PolarHBondContact CE1-OG1 3.12Å; H6-T27 PolarHBondContact NE2-O 3.12Å; H6-T27 VanDerWaalsContact NE2-O 3.11Å; K23-T27 WeakPolarHBondContact O-CG2 3.46Å; K23-T27 PolarHBondContact O-N 3.38Å; D24-T27 PolarHBondContact O-N 3.46Å; D24-T27 PolarHBondContact O-OG1 3.35Å
28L91.6Very high91.9Very high90 Ų9053.8 Ų53.847%0.47126%0.259SS..  trans-93.8138.6179.9-59.5168.1000109G32 M33 T34L28-G32 WeakPolarHBondContact CD2-O 3.38Å; L28-M33 WeakPolarHBondContact CA-O 3.36Å; L28-T34 HydrophobicContact CD2-CG2 3.75Å
29D90.8Very high92Very high23 Ų2349.7 Ų49.712%0.12324%0.241CC..  trans-86.3-166.8168.767.213.3000112.1H6 D31 G32 M33H6-D29 IonicContact CD2-OD2 2.82Å; H6-D29 PolarHBondContact NE2-N 3.45Å; D29-D31 PolarHBondContact O-N 3.4Å; D29-D31 PolarHBondContact OD1-N 2.96Å; D29-G32 PolarHBondContact O-N 3.33Å; D29-G32 VanDerWaalsContact O-N 3.11Å; D29-G32 PolarHBondContact OD1-N 3.48Å; D29-M33 PolarHBondContact N-O 2.92Å; D29-M33 WeakPolarHBondContact OD1-CA 3.27Å; D29-M33 WeakPolarHBondContact OD1-CB 3.42Å; D29-M33 PolarHBondContact OD1-N 3Å
30E87.5Confident92.2Very high145 Ų14544.2 Ų44.268%0.67822%0.216SC*.THydrogen-bonded Turntrans-62.9-30.6-179.2-59.9-63.4145.700112.8M1 G32M1-E30 PolarHBondContact N-OE1 3.33Å; E30-G32 VanDerWaalsContact C-N 3.29Å
31D86.1Confident92.5Very high89 Ų8948.7 Ų48.748%0.47623%0.232SC..THydrogen-bonded Turntrans-92.67.7178.7-61.7-47000111.6D29 M33 I63D29-D31 PolarHBondContact O-N 3.4Å; D29-D31 PolarHBondContact OD1-N 2.96Å; D31-M33 HydrophobicContact CB-CG 4.1Å; D31-M33 PolarHBondContact O-N 3.1Å; D31-I63 WeakPolarHBondContact O-CG1 3.45Å
32G90.4Very high92.8Very high6 Ų648.9 Ų48.96%0.06223%0.228CC..SBendtrans7115.6-175.800000113.8L28 D29 E30 D62L28-G32 WeakPolarHBondContact CD2-O 3.38Å; D29-G32 PolarHBondContact O-N 3.33Å; D29-G32 VanDerWaalsContact O-N 3.11Å; D29-G32 PolarHBondContact OD1-N 3.48Å; E30-G32 VanDerWaalsContact C-N 3.29Å; G32-D62 WeakPolarHBondContact O-CA 3.26Å
33M93.6Very high93Very high14 Ų1441.1 Ų41.17%0.06921%0.205CC..  trans-81.8141.8-179.8-59.9-71.6-81.700110.4H6 L28 D29 D31 L37 L38 D62H6-M33 PolarHBondContact CD2-O 3.38Å; H6-M33 VanDerWaalsContact CD2-O 3.27Å; H6-M33 PolarHBondContact NE2-O 3.45Å; L28-M33 WeakPolarHBondContact CA-O 3.36Å; D29-M33 PolarHBondContact N-O 2.92Å; D29-M33 WeakPolarHBondContact OD1-CA 3.27Å; D29-M33 WeakPolarHBondContact OD1-CB 3.42Å; D29-M33 PolarHBondContact OD1-N 3Å; D31-M33 HydrophobicContact CB-CG 4.1Å; D31-M33 PolarHBondContact O-N 3.1Å; M33-L37 HydrophobicContact CB-CB 4.48Å; M33-L37 HydrophobicContact CE-CB 3.76Å; M33-L37 HydrophobicContact SD-CB 4.04Å; M33-L37 HydrophobicContact SD-CD1 4.26Å; M33-L38 HydrophobicContact CB-CD2 4.25Å; M33-L38 HydrophobicContact CB-CG 4.11Å; M33-L38 HydrophobicContact CE-CD2 4.04Å; M33-L38 HydrophobicContact CE-CG 4.46Å; M33-D62 HydrophobicContact SD-CB 3.54Å; M33-D62 VanDerWaalsContact SD-CB 3.54Å
34T94.7Very high93.3Very high0 Ų037.6 Ų37.60%019%0.188CC..  trans-96.2160.1166.662.10000109.6L28 T36 L37 L38 K60L28-T34 HydrophobicContact CD2-CG2 3.75Å; T34-T36 PolarHBondContact O-N 3.5Å; T34-L37 HydrophobicContact CG2-CD1 4.27Å; T34-L37 WeakPolarHBondContact O-CB 3.3Å; T34-L37 PolarHBondContact O-N 2.96Å; T34-L37 WeakPolarHBondContact OG1-CD1 3.46Å; T34-L37 WeakPolarHBondContact OG1-CG 3.32Å; T34-L37 PolarHBondContact OG1-N 2.86Å; T34-L37 VanDerWaalsContact OG1-N 3.14Å; T34-L38 PolarHBondContact O-N 2.92Å; T34-K60 HydrophobicContact CG2-CB 4.49Å; T34-K60 HydrophobicContact CG2-CD 4.16Å; T34-K60 HydrophobicContact CG2-CG 4.08Å
35P94.7Very high93.5Very high0 Ų037.5 Ų37.50%019%0.187CC..Hα-helixtrans-51.9-35.5168.1-30.338.3000113.3A9 L25 L38 A39A9-P35 HydrophobicContact CB-CB 3.93Å; A9-P35 WeakPolarHBondContact CB-O 3.4Å; L25-P35 HydrophobicContact CD2-CB 3.95Å; L25-P35 HydrophobicContact CD2-CG 4.33Å; L25-P35 WeakPolarHBondContact O-CD 3.35Å; P35-L38 PolarHBondContact O-N 3.37Å; P35-A39 PolarHBondContact O-N 3.12Å
36T95.2Very high93.7Very high0 Ų042.8 Ų42.80%021%0.212CC..Hα-helixtrans-62-46.1174.3-42.70000112T34 A39 A40 L48 V51 P68T34-T36 PolarHBondContact O-N 3.5Å; T36-A39 PolarHBondContact O-N 3.11Å; T36-A40 WeakPolarHBondContact O-CB 3.25Å; T36-A40 PolarHBondContact O-N 3.25Å; T36-A40 VanDerWaalsContact O-N 3.11Å; T36-L48 HydrophobicContact CG2-CD1 3.78Å; T36-V51 HydrophobicContact CG2-CG1 4.26Å; T36-V51 WeakPolarHBondContact OG1-CG1 3.39Å; T36-P68 HydrophobicContact CG2-CB 4.37Å; T36-P68 HydrophobicContact CG2-CG 3.9Å
37L95.5Very high93.9Very high0 Ų041.4 Ų41.40%021%0.205CC..Hα-helixtrans-60.9-44177-79.5160.1000111.4M33 T34 A40 Y41 D62 N66 T67 P68M33-L37 HydrophobicContact CB-CB 4.48Å; M33-L37 HydrophobicContact CE-CB 3.76Å; M33-L37 HydrophobicContact SD-CB 4.04Å; M33-L37 HydrophobicContact SD-CD1 4.26Å; T34-L37 HydrophobicContact CG2-CD1 4.27Å; T34-L37 WeakPolarHBondContact O-CB 3.3Å; T34-L37 PolarHBondContact O-N 2.96Å; T34-L37 WeakPolarHBondContact OG1-CD1 3.46Å; T34-L37 WeakPolarHBondContact OG1-CG 3.32Å; T34-L37 PolarHBondContact OG1-N 2.86Å; T34-L37 VanDerWaalsContact OG1-N 3.14Å; L37-A40 PolarHBondContact O-N 2.96Å; L37-Y41 VanDerWaalsContact O-CB 3.28Å; L37-Y41 WeakPolarHBondContact O-CB 3.29Å; L37-Y41 PolarHBondContact O-N 2.91Å; L37-D62 HydrophobicContact CD1-CB 4.16Å; L37-N66 WeakPolarHBondContact CD2-O 3.49Å; L37-T67 VanDerWaalsContact CD2-C 3.48Å; L37-P68 VanDerWaalsContact CD2-CD 3.47Å; L37-P68 HydrophobicContact CD2-CG 3.9Å; L37-P68 VanDerWaalsContact CD2-N 3.35Å; L37-P68 HydrophobicContact CG-CG 4.01Å
38L95.4Very high94.1Very high21 Ų2139.5 Ų39.511%0.1119%0.193CC..Hα-helixtrans-65.5-43.8179.6-70.5168.8000112.4H6 A9 M33 T34 P35 A40 Y41 H42H6-L38 HydrophobicContact CB-CD1 3.6Å; H6-L38 WeakPolarHBondContact O-CD1 3.38Å; A9-L38 HydrophobicContact CB-CB 4.1Å; M33-L38 HydrophobicContact CB-CD2 4.25Å; M33-L38 HydrophobicContact CB-CG 4.11Å; M33-L38 HydrophobicContact CE-CD2 4.04Å; M33-L38 HydrophobicContact CE-CG 4.46Å; T34-L38 PolarHBondContact O-N 2.92Å; P35-L38 PolarHBondContact O-N 3.37Å; L38-A40 VanDerWaalsContact C-N 3.31Å; L38-A40 PolarHBondContact O-N 3.25Å; L38-Y41 PolarHBondContact O-N 3.05Å; L38-H42 PolarHBondContact O-CD2 2.98Å; L38-H42 VanDerWaalsContact O-CD2 3.23Å; L38-H42 PolarHBondContact O-N 2.99Å
39A95.9Very high94.3Very high0 Ų037.6 Ų37.60%018%0.182CC..Hα-helixtrans-60.5-42.5176.200000111.6A9 P35 T36 G43 Y44 A47 L48A9-A39 HydrophobicContact CB-CB 4.34Å; P35-A39 PolarHBondContact O-N 3.12Å; T36-A39 PolarHBondContact O-N 3.11Å; A39-G43 PolarHBondContact O-N 3.29Å; A39-Y44 PolarHBondContact O-N 2.72Å; A39-A47 HydrophobicContact CB-CB 4.22Å; A39-L48 HydrophobicContact CB-CB 4.12Å; A39-L48 HydrophobicContact CB-CD1 4.18Å
40A96.6Very high94.5Very high0 Ų037.6 Ų37.60%018%0.182CC..Hα-helixtrans-69.2-36.8176.600000113T36 L37 L38 G43 L48 P68 A72 H77T36-A40 WeakPolarHBondContact O-CB 3.25Å; T36-A40 PolarHBondContact O-N 3.25Å; T36-A40 VanDerWaalsContact O-N 3.11Å; L37-A40 PolarHBondContact O-N 2.96Å; L38-A40 VanDerWaalsContact C-N 3.31Å; L38-A40 PolarHBondContact O-N 3.25Å; A40-G43 PolarHBondContact O-N 3.39Å; A40-L48 HydrophobicContact CB-CD1 4.12Å; A40-L48 HydrophobicContact CB-CD2 4.27Å; A40-P68 HydrophobicContact CB-CB 3.78Å; A40-P68 WeakPolarHBondContact CB-O 3.39Å; A40-A72 HydrophobicContact CB-CB 4.41Å; A40-H77 PolarHBondContact O-CD2 2.81Å
41Y96.2Very high94.9Very high100 Ų10030.7 Ų30.739%0.39215%0.15SC..Hα-helixtrans-62.7-47.2176.5179.3-98.7000111.9L37 L38 G43 H71 N75 H77L37-Y41 VanDerWaalsContact O-CB 3.28Å; L37-Y41 WeakPolarHBondContact O-CB 3.29Å; L37-Y41 PolarHBondContact O-N 2.91Å; L38-Y41 PolarHBondContact O-N 3.05Å; Y41-G43 VanDerWaalsContact C-N 3.34Å; Y41-H71 HydrophobicContact CD2-CB 4.34Å; Y41-H71 AromaticContact CD2-ND1 3.43Å; Y41-H71 WeakPolarHBondContact CD2-ND1 3.41Å; Y41-N75 WeakPolarHBondContact CD2-ND2 3.48Å; Y41-N75 PolarHBondContact O-ND2 2.87Å; Y41-H77 PolarHBondContact O-CD2 3.47Å; Y41-H77 PolarHBondContact O-NE2 3.49Å
42H95.6Very high95.3Very high78 Ų7826.6 Ų26.636%0.36113%0.129SC..Hα-helixtrans-79.6-15179.4-70-70.2000113.9L38 Y44L38-H42 PolarHBondContact O-CD2 2.98Å; L38-H42 VanDerWaalsContact O-CD2 3.23Å; L38-H42 PolarHBondContact O-N 2.99Å; H42-Y44 HydrophobicContact CB-CD2 3.61Å; H42-Y44 HydrophobicContact CB-CE2 3.43Å; H42-Y44 VanDerWaalsContact CB-CE2 3.43Å
43G95.5Very high95.4Very high22 Ų2234.2 Ų34.223%0.22716%0.156CC..THydrogen-bonded Turntrans83.621.7176.800000114.1A39 A40 Y41 L45 H77 C80A39-G43 PolarHBondContact O-N 3.29Å; A40-G43 PolarHBondContact O-N 3.39Å; Y41-G43 VanDerWaalsContact C-N 3.34Å; G43-L45 PolarHBondContact O-N 3.26Å; G43-L45 VanDerWaalsContact O-N 3.15Å; G43-H77 WeakPolarHBondContact CA-CD2 3.35Å; G43-H77 VanDerWaalsContact CA-CG 3.46Å; G43-H77 WeakPolarHBondContact CA-NE2 3.41Å; G43-H77 PolarHBondContact N-CD2 3.09Å; G43-H77 PolarHBondContact N-NE2 2.95Å; G43-C80 VanDerWaalsContact C-SG 3.59Å
44Y96.6Very high95.4Very high89 Ų8939.8 Ų39.835%0.34918%0.176SC..  trans-81.593.8176.6-62.3-55.1000110.2A9 A10 A39 H42 E46 A47 L48A9-Y44 WeakPolarHBondContact O-CD2 3.31Å; A10-Y44 VanDerWaalsContact O-CE2 3.25Å; A10-Y44 WeakPolarHBondContact O-CE2 3.27Å; A39-Y44 PolarHBondContact O-N 2.72Å; H42-Y44 HydrophobicContact CB-CD2 3.61Å; H42-Y44 HydrophobicContact CB-CE2 3.43Å; H42-Y44 VanDerWaalsContact CB-CE2 3.43Å; Y44-E46 PolarHBondContact O-N 2.94Å; Y44-A47 PolarHBondContact O-N 3.4Å; Y44-L48 VanDerWaalsContact O-CB 3.32Å; Y44-L48 WeakPolarHBondContact O-CB 3.42Å; Y44-L48 PolarHBondContact O-N 3.39Å
45L96.3Very high95.3Very high41 Ų4141.1 Ų41.122%0.21519%0.189CC..Hα-helixtrans-56.8-51.4-180176.865.5000111.7G43 A47 L48 E49 H79 F83G43-L45 PolarHBondContact O-N 3.26Å; G43-L45 VanDerWaalsContact O-N 3.15Å; L45-A47 VanDerWaalsContact C-N 3.29Å; L45-A47 PolarHBondContact O-N 3.34Å; L45-L48 WeakPolarHBondContact O-CB 3.28Å; L45-L48 PolarHBondContact O-N 3.3Å; L45-L48 VanDerWaalsContact O-N 3.12Å; L45-E49 HydrophobicContact CD1-CG 4.32Å; L45-E49 HydrophobicContact CG-CG 4.45Å; L45-E49 WeakPolarHBondContact O-CG 3.45Å; L45-E49 PolarHBondContact O-N 3.01Å; L45-H79 HydrophobicContact CD1-CB 4.49Å; L45-H79 HydrophobicContact CD2-CB 4.05Å; L45-F83 HydrophobicContact CD1-CB 3.64Å; L45-F83 HydrophobicContact CD1-CG 4.09Å
46E96.2Very high95.2Very high111 Ų11141.2 Ų41.252%0.51919%0.191SC..Hα-helixtrans-64.1-37.9-175.1-60.781.5179.500111.4L14 Y44 E49 V50L14-E46 HydrophobicContact CD1-CB 4.03Å; L14-E46 HydrophobicContact CD2-CB 3.82Å; Y44-E46 PolarHBondContact O-N 2.94Å; E46-E49 PolarHBondContact O-N 3.12Å; E46-V50 VanDerWaalsContact O-CG2 3.31Å; E46-V50 WeakPolarHBondContact O-CG2 3.32Å; E46-V50 PolarHBondContact O-N 3.5Å; E46-V50 VanDerWaalsContact O-N 3.07Å
47A95.7Very high95.2Very high0 Ų044.4 Ų44.40%021%0.207CC..Hα-helixtrans-65.7-44.6175.100000110.8L14 L17 A39 Y44 L45 E49 V50 V51L14-A47 HydrophobicContact CD2-CB 3.95Å; L17-A47 HydrophobicContact CD1-CB 3.63Å; A39-A47 HydrophobicContact CB-CB 4.22Å; Y44-A47 PolarHBondContact O-N 3.4Å; L45-A47 VanDerWaalsContact C-N 3.29Å; L45-A47 PolarHBondContact O-N 3.34Å; A47-E49 VanDerWaalsContact C-N 3.35Å; A47-E49 PolarHBondContact O-N 2.92Å; A47-V50 PolarHBondContact O-N 3.03Å; A47-V51 WeakPolarHBondContact O-CB 3.36Å; A47-V51 VanDerWaalsContact O-CG2 3.23Å; A47-V51 WeakPolarHBondContact O-CG2 3.23Å; A47-V51 PolarHBondContact O-N 3.18Å
48L96Very high95.1Very high0 Ų045.2 Ų45.20%021%0.213CC..Hα-helixtrans-61.3-42.9177.4-172.862.8000111.5T36 A39 A40 Y44 L45 V51 C52 C80 F83 L84T36-L48 HydrophobicContact CG2-CD1 3.78Å; A39-L48 HydrophobicContact CB-CB 4.12Å; A39-L48 HydrophobicContact CB-CD1 4.18Å; A40-L48 HydrophobicContact CB-CD1 4.12Å; A40-L48 HydrophobicContact CB-CD2 4.27Å; Y44-L48 VanDerWaalsContact O-CB 3.32Å; Y44-L48 WeakPolarHBondContact O-CB 3.42Å; Y44-L48 PolarHBondContact O-N 3.39Å; L45-L48 WeakPolarHBondContact O-CB 3.28Å; L45-L48 PolarHBondContact O-N 3.3Å; L45-L48 VanDerWaalsContact O-N 3.12Å; L48-V51 PolarHBondContact O-N 3.23Å; L48-C52 WeakPolarHBondContact O-CB 3.38Å; L48-C52 PolarHBondContact O-N 3.07Å; L48-C52 PolarHBondContact O-SG 3.06Å; L48-C52 VanDerWaalsContact O-SG 3.4Å; L48-C80 HydrophobicContact CD2-CB 3.87Å; L48-F83 HydrophobicContact CD2-CD1 3.87Å; L48-F83 HydrophobicContact CD2-CE1 4.41Å; L48-F83 HydrophobicContact CG-CD1 3.93Å; L48-F83 HydrophobicContact CG-CE1 3.98Å; L48-L84 HydrophobicContact CD1-CD2 4.37Å; L48-L84 HydrophobicContact CD2-CD1 4.15Å; L48-L84 HydrophobicContact CD2-CD2 4.13Å; L48-L84 HydrophobicContact CD2-CG 3.93Å; L48-L84 HydrophobicContact CG-CD2 4.47Å
49E95.8Very high95.1Very high50 Ų5047.3 Ų47.323%0.23422%0.224CC..Hα-helixtrans-60.3-47.1175.2-70-165.2-177.400112.4L45 E46 A47 R53 F83L45-E49 HydrophobicContact CD1-CG 4.32Å; L45-E49 HydrophobicContact CG-CG 4.45Å; L45-E49 WeakPolarHBondContact O-CG 3.45Å; L45-E49 PolarHBondContact O-N 3.01Å; E46-E49 PolarHBondContact O-N 3.12Å; A47-E49 VanDerWaalsContact C-N 3.35Å; A47-E49 PolarHBondContact O-N 2.92Å; E49-R53 WeakPolarHBondContact O-CB 3.48Å; E49-R53 VanDerWaalsContact O-CG 3.26Å; E49-R53 WeakPolarHBondContact O-CG 3.4Å; E49-R53 PolarHBondContact O-N 2.98Å; E49-R53 IonicContact OE2-CZ 3.55Å; E49-R53 VanDerWaalsContact OE2-CZ 3.28Å; E49-R53 IonicContact OE2-NH1 2.87Å; E49-R53 PolarHBondContact OE2-NH1 3.42Å; E49-R53 IonicContact OE2-NH2 3.81Å; E49-R53 PolarHBondContact OE2-NH2 3.48Å; E49-F83 HydrophobicContact CB-CE2 4.27Å; E49-F83 HydrophobicContact CB-CZ 4.22Å; E49-F83 HydrophobicContact CG-CD2 3.77Å; E49-F83 HydrophobicContact CG-CE1 4.4Å; E49-F83 HydrophobicContact CG-CE2 3.62Å; E49-F83 HydrophobicContact CG-CG 4.26Å; E49-F83 HydrophobicContact CG-CZ 3.95Å
50V95.5Very high94.9Very high23 Ų2350.7 Ų50.714%0.13924%0.239CC..Hα-helixtrans-62.5-451791700000110.6L17 K18 E46 A47 R53 R54L17-V50 HydrophobicContact CB-CG1 4.01Å; K18-V50 HydrophobicContact CG-CG1 3.98Å; E46-V50 VanDerWaalsContact O-CG2 3.31Å; E46-V50 WeakPolarHBondContact O-CG2 3.32Å; E46-V50 PolarHBondContact O-N 3.5Å; E46-V50 VanDerWaalsContact O-N 3.07Å; A47-V50 PolarHBondContact O-N 3.03Å; V50-R53 PolarHBondContact O-N 3.15Å; V50-R54 HydrophobicContact CG1-CG 4.49Å; V50-R54 WeakPolarHBondContact O-CB 3.34Å; V50-R54 VanDerWaalsContact O-CG 3.28Å; V50-R54 WeakPolarHBondContact O-CG 3.44Å; V50-R54 PolarHBondContact O-N 3.37Å
51V94.9Very high94.8Very high0 Ų051.8 Ų51.80%025%0.246CC..Hα-helixtrans-63.2-47.7-179.5168.50000111.2L17 L25 T36 A47 L48 R54 G55 G56L17-V51 HydrophobicContact CB-CG2 4.42Å; L17-V51 HydrophobicContact CD1-CG2 4.06Å; L17-V51 HydrophobicContact CD2-CG2 3.86Å; L17-V51 HydrophobicContact CG-CG2 4.33Å; L25-V51 HydrophobicContact CB-CG1 4.43Å; L25-V51 HydrophobicContact CD1-CG1 4.23Å; L25-V51 HydrophobicContact CD2-CB 4.47Å; L25-V51 HydrophobicContact CD2-CG1 4.01Å; L25-V51 HydrophobicContact CD2-CG2 3.98Å; L25-V51 HydrophobicContact CG-CG1 4.45Å; T36-V51 HydrophobicContact CG2-CG1 4.26Å; T36-V51 WeakPolarHBondContact OG1-CG1 3.39Å; A47-V51 WeakPolarHBondContact O-CB 3.36Å; A47-V51 VanDerWaalsContact O-CG2 3.23Å; A47-V51 WeakPolarHBondContact O-CG2 3.23Å; A47-V51 PolarHBondContact O-N 3.18Å; L48-V51 PolarHBondContact O-N 3.23Å; V51-R54 PolarHBondContact O-N 3.48Å; V51-G55 PolarHBondContact O-N 3.1Å; V51-G56 PolarHBondContact O-N 3.44Å
52C94.8Very high94.7Very high4 Ų447.2 Ų47.23%0.02723%0.228CC..Hα-helixtrans-63.2-44.1177.8-73.10000111.8L48 R54 G55 F83 F87L48-C52 WeakPolarHBondContact O-CB 3.38Å; L48-C52 PolarHBondContact O-N 3.07Å; L48-C52 PolarHBondContact O-SG 3.06Å; L48-C52 VanDerWaalsContact O-SG 3.4Å; C52-R54 PolarHBondContact O-N 3.02Å; C52-G55 PolarHBondContact O-N 2.98Å; C52-F83 HydrophobicContact CB-CE1 4Å; C52-F83 HydrophobicContact CB-CZ 3.94Å; C52-F87 HydrophobicContact CB-CD1 4.31Å; C52-F87 HydrophobicContact CB-CD2 4.1Å; C52-F87 HydrophobicContact CB-CE1 3.95Å; C52-F87 HydrophobicContact CB-CE2 3.71Å; C52-F87 HydrophobicContact CB-CG 4.39Å; C52-F87 HydrophobicContact CB-CZ 3.64Å
53R93.6Very high94.5Very high166 Ų16647 Ų4763%0.62623%0.229SC*.Hα-helixtrans-62.3-26.5175.3-73.4178.9-173124.66.9113.4E49 V50 G55E49-R53 WeakPolarHBondContact O-CB 3.48Å; E49-R53 VanDerWaalsContact O-CG 3.26Å; E49-R53 WeakPolarHBondContact O-CG 3.4Å; E49-R53 PolarHBondContact O-N 2.98Å; E49-R53 IonicContact OE2-CZ 3.55Å; E49-R53 VanDerWaalsContact OE2-CZ 3.28Å; E49-R53 IonicContact OE2-NH1 2.87Å; E49-R53 PolarHBondContact OE2-NH1 3.42Å; E49-R53 IonicContact OE2-NH2 3.81Å; E49-R53 PolarHBondContact OE2-NH2 3.48Å; V50-R53 PolarHBondContact O-N 3.15Å; R53-G55 VanDerWaalsContact C-N 3.3Å
54R92.9Very high94.2Very high131 Ų13152.6 Ų52.649%0.49424%0.244SC..THydrogen-bonded Turntrans-86.54.3176.3-73.7-71.8-165.1-158.51.5113.5K18 L25 V50 V51 C52K18-R54 PolarHBondContact O-NE 3.4Å; K18-R54 PolarHBondContact O-NH2 2.93Å; L25-R54 HydrophobicContact CD1-CB 3.37Å; L25-R54 HydrophobicContact CD1-CG 4.49Å; V50-R54 HydrophobicContact CG1-CG 4.49Å; V50-R54 WeakPolarHBondContact O-CB 3.34Å; V50-R54 VanDerWaalsContact O-CG 3.28Å; V50-R54 WeakPolarHBondContact O-CG 3.44Å; V50-R54 PolarHBondContact O-N 3.37Å; V51-R54 PolarHBondContact O-N 3.48Å; C52-R54 PolarHBondContact O-N 3.02Å
55G92Very high94.1Very high27 Ų2748.4 Ų48.428%0.27823%0.228SC..THydrogen-bonded Turntrans93.119.1176.900000114.6N26 V51 C52 R53 D57N26-G55 PolarHBondContact ND2-O 3.45Å; V51-G55 PolarHBondContact O-N 3.1Å; C52-G55 PolarHBondContact O-N 2.98Å; R53-G55 VanDerWaalsContact C-N 3.3Å; G55-D57 PolarHBondContact O-N 2.87Å
56G94Very high94Very high3 Ų347.9 Ų47.93%0.03123%0.225CC..  trans-64.5127.6165.200000110.6V51 P58V51-G56 PolarHBondContact O-N 3.44Å; G56-P58 WeakPolarHBondContact O-CD 3.43Å
57D94.4Very high94Very high66 Ų6642.9 Ų42.935%0.35320%0.202SC..  trans-75.4120.2-178-175.5-13.6000110.6N26 G55 D59 K60N26-D57 WeakPolarHBondContact OD1-CB 3.3Å; N26-D57 PolarHBondContact OD1-N 3.33Å; G55-D57 PolarHBondContact O-N 2.87Å; D57-D59 VanDerWaalsContact C-N 3.33Å; D57-D59 PolarHBondContact OD1-N 2.88Å; D57-K60 HydrophobicContact CB-CB 4Å; D57-K60 PolarHBondContact OD1-N 3.47Å
58P93.9Very high94.1Very high17 Ų1742.9 Ų42.911%0.1120%0.202CC..SBendtrans-79.1-11.5-179.736-39.7000113.8G56 P68 L84 F87 A89G56-P58 WeakPolarHBondContact O-CD 3.43Å; P58-P68 VanDerWaalsContact O-CD 3.23Å; P58-P68 WeakPolarHBondContact O-CD 3.35Å; P58-P68 WeakPolarHBondContact O-CG 3.37Å; P58-L84 HydrophobicContact CB-CD2 4.13Å; P58-F87 HydrophobicContact CB-CD1 4.16Å; P58-F87 HydrophobicContact CB-CE1 4.47Å; P58-F87 HydrophobicContact CG-CD1 3.85Å; P58-F87 HydrophobicContact CG-CE1 3.91Å; P58-A89 HydrophobicContact CB-CB 4.07Å
59D93.9Very high94.1Very high65 Ų6542.9 Ų42.935%0.34820%0.202SC..SBendtrans-102.3-6.5-179.1-75.9-25.5000112.7D57 C61 N90D57-D59 VanDerWaalsContact C-N 3.33Å; D57-D59 PolarHBondContact OD1-N 2.88Å; D59-C61 PolarHBondContact O-N 3.4Å; D59-N90 WeakPolarHBondContact OD1-CB 3.08Å; D59-N90 PolarHBondContact OD1-N 3.01Å
60K93.4Very high94.2Very high71 Ų7140.6 Ų40.631%0.30919%0.192SC..  trans-71.5126.8179.9-164.2149.7-172.9-177.20111.3N26 T34 D57 P68N26-K60 PolarHBondContact O-NZ 3.12Å; T34-K60 HydrophobicContact CG2-CB 4.49Å; T34-K60 HydrophobicContact CG2-CD 4.16Å; T34-K60 HydrophobicContact CG2-CG 4.08Å; D57-K60 HydrophobicContact CB-CB 4Å; D57-K60 PolarHBondContact OD1-N 3.47Å; K60-P68 VanDerWaalsContact O-CD 3.29Å; K60-P68 WeakPolarHBondContact O-CD 3.42Å
61C93.8Very high94.2Very high23 Ų2340.5 Ų40.516%0.15519%0.19CC..  trans-102.2163.7-17465.70000114D59 G65 N66 T67 Q146D59-C61 PolarHBondContact O-N 3.4Å; C61-G65 WeakPolarHBondContact CB-O 3.44Å; C61-N66 CarbonylContact C-O 3.56Å; C61-N66 WeakPolarHBondContact CA-O 3.48Å; C61-N66 WeakPolarHBondContact CB-O 3.47Å; C61-T67 HydrophobicContact CB-CG2 4.16Å; C61-Q146 PolarHBondContact SG-NE2 3.3Å; C61-Q146 VanDerWaalsContact SG-NE2 3.43Å
62D93.6Very high94.3Very high4 Ų440.5 Ų40.52%0.02119%0.19CC..  trans-81.6-175.5172.367.517.7000113.1G32 M33 L37 W64 G65 N66 H71G32-D62 WeakPolarHBondContact O-CA 3.26Å; M33-D62 HydrophobicContact SD-CB 3.54Å; M33-D62 VanDerWaalsContact SD-CB 3.54Å; L37-D62 HydrophobicContact CD1-CB 4.16Å; D62-W64 HydrophobicContact CB-CE3 4.41Å; D62-W64 PolarHBondContact O-N 3.42Å; D62-W64 VanDerWaalsContact OD1-C 3.31Å; D62-W64 VanDerWaalsContact OD1-CA 3.32Å; D62-W64 WeakPolarHBondContact OD1-CA 3.47Å; D62-W64 WeakPolarHBondContact OD1-CB 3.4Å; D62-W64 PolarHBondContact OD1-N 3.36Å; D62-G65 PolarHBondContact O-N 2.99Å; D62-G65 PolarHBondContact OD1-N 2.8Å; D62-N66 PolarHBondContact N-O 3.39Å; D62-N66 PolarHBondContact OD1-N 3.05Å; D62-N66 WeakPolarHBondContact OD2-CB 3.37Å; D62-N66 PolarHBondContact OD2-ND2 3.29Å; D62-H71 IonicContact OD2-CE1 2.81Å; D62-H71 PolarHBondContact OD2-CE1 3.29Å; D62-H71 IonicContact OD2-NE2 3.47Å; D62-H71 PolarHBondContact OD2-NE2 3.42Å
63I90.8Very high94.4Very high73 Ų7340.3 Ų40.337%0.37419%0.188SC..THydrogen-bonded Turntrans-62.9-19.8178.163.6-179.7000113.9D31 N96D31-I63 WeakPolarHBondContact O-CG1 3.45Å; I63-N96 PolarHBondContact O-ND2 3.07Å; I63-N96 VanDerWaalsContact O-ND2 3.11Å
64W90.9Very high94.5Very high140 Ų14034.1 Ų34.153%0.5317%0.17SC..THydrogen-bonded Turntrans-94.82.4177.2-57.5-74.1000112.3D62 N66 N96D62-W64 HydrophobicContact CB-CE3 4.41Å; D62-W64 PolarHBondContact O-N 3.42Å; D62-W64 VanDerWaalsContact OD1-C 3.31Å; D62-W64 VanDerWaalsContact OD1-CA 3.32Å; D62-W64 WeakPolarHBondContact OD1-CA 3.47Å; D62-W64 WeakPolarHBondContact OD1-CB 3.4Å; D62-W64 PolarHBondContact OD1-N 3.36Å; W64-N66 VanDerWaalsContact C-N 3.29Å; W64-N96 VanDerWaalsContact CA-ND2 3.33Å; W64-N96 WeakPolarHBondContact CA-ND2 3.38Å; W64-N96 VanDerWaalsContact O-CB 3.26Å; W64-N96 WeakPolarHBondContact O-CB 2.98Å; W64-N96 PolarHBondContact O-N 3.4Å; W64-N96 PolarHBondContact O-ND2 2.96Å
65G92.8Very high94.6Very high2 Ų230 Ų302%0.02116%0.158CC..  trans80.25.4-178.900000113.8C61 D62 T67C61-G65 WeakPolarHBondContact CB-O 3.44Å; D62-G65 PolarHBondContact O-N 2.99Å; D62-G65 PolarHBondContact OD1-N 2.8Å; G65-T67 PolarHBondContact O-N 2.99Å
66N95.4Very high94.8Very high29 Ų2930 Ų3016%0.15516%0.157CC..  trans-75.7128.3178.1-59.5-62.1000110.5L37 C61 D62 W64 H70 H71L37-N66 WeakPolarHBondContact CD2-O 3.49Å; C61-N66 CarbonylContact C-O 3.56Å; C61-N66 WeakPolarHBondContact CA-O 3.48Å; C61-N66 WeakPolarHBondContact CB-O 3.47Å; D62-N66 PolarHBondContact N-O 3.39Å; D62-N66 PolarHBondContact OD1-N 3.05Å; D62-N66 WeakPolarHBondContact OD2-CB 3.37Å; D62-N66 PolarHBondContact OD2-ND2 3.29Å; W64-N66 VanDerWaalsContact C-N 3.29Å; N66-H70 HydrophobicContact CB-CB 3.9Å; N66-H71 WeakPolarHBondContact CB-NE2 3.19Å
67T96.1Very high95Very high7 Ų732.4 Ų32.44%0.04317%0.167CC..  trans-84.9166.717166.80000111.1L37 C61 G65 L69 H70 H71 A93L37-T67 VanDerWaalsContact CD2-C 3.48Å; C61-T67 HydrophobicContact CB-CG2 4.16Å; G65-T67 PolarHBondContact O-N 2.99Å; T67-L69 PolarHBondContact O-N 3.17Å; T67-L69 VanDerWaalsContact O-N 3.11Å; T67-H70 PolarHBondContact N-ND1 3.33Å; T67-H70 WeakPolarHBondContact O-CB 3.25Å; T67-H70 PolarHBondContact O-N 2.97Å; T67-H70 PolarHBondContact OG1-ND1 3.18Å; T67-H71 PolarHBondContact O-N 2.94Å; T67-A93 HydrophobicContact CG2-CB 3.75Å
68P96.7Very high95.1Very high0 Ų030.7 Ų30.70%016%0.159CC..Hα-helixtrans-49.7-36.6171.6-30.234.7000113T36 L37 A40 P58 K60 H71 A72 L84T36-P68 HydrophobicContact CG2-CB 4.37Å; T36-P68 HydrophobicContact CG2-CG 3.9Å; L37-P68 VanDerWaalsContact CD2-CD 3.47Å; L37-P68 HydrophobicContact CD2-CG 3.9Å; L37-P68 VanDerWaalsContact CD2-N 3.35Å; L37-P68 HydrophobicContact CG-CG 4.01Å; A40-P68 HydrophobicContact CB-CB 3.78Å; A40-P68 WeakPolarHBondContact CB-O 3.39Å; P58-P68 VanDerWaalsContact O-CD 3.23Å; P58-P68 WeakPolarHBondContact O-CD 3.35Å; P58-P68 WeakPolarHBondContact O-CG 3.37Å; K60-P68 VanDerWaalsContact O-CD 3.29Å; K60-P68 WeakPolarHBondContact O-CD 3.42Å; P68-H71 PolarHBondContact O-N 3.22Å; P68-A72 WeakPolarHBondContact O-CB 3.2Å; P68-A72 PolarHBondContact O-N 3.36Å; P68-L84 HydrophobicContact CB-CD1 4.05Å; P68-L84 HydrophobicContact CB-CD2 4.26Å
69L97.3Very high95.2Very high0 Ų036.4 Ų36.40%018%0.184CC..Hα-helixtrans-67.7-38.1177.7-168.660000112.4T67 A73 V81 L84 I85 I91 P101 L117T67-L69 PolarHBondContact O-N 3.17Å; T67-L69 VanDerWaalsContact O-N 3.11Å; L69-A73 WeakPolarHBondContact O-CB 3.47Å; L69-A73 PolarHBondContact O-N 3Å; L69-V81 HydrophobicContact CD1-CB 4.44Å; L69-V81 HydrophobicContact CD1-CG1 4.12Å; L69-V81 HydrophobicContact CD1-CG2 4.43Å; L69-L84 HydrophobicContact CB-CD1 4.27Å; L69-L84 HydrophobicContact CD1-CB 3.92Å; L69-L84 HydrophobicContact CD1-CD1 4.08Å; L69-I85 HydrophobicContact CD1-CG1 4.45Å; L69-I91 HydrophobicContact CD2-CB 4.49Å; L69-I91 HydrophobicContact CD2-CG1 4.44Å; L69-P101 HydrophobicContact CB-CB 4.46Å; L69-P101 HydrophobicContact CB-CG 4.27Å; L69-P101 HydrophobicContact CD2-CB 4.18Å; L69-P101 HydrophobicContact CD2-CG 3.96Å; L69-P101 HydrophobicContact CG-CB 3.88Å; L69-P101 HydrophobicContact CG-CG 4Å; L69-L117 HydrophobicContact CD1-CD2 4.26Å; L69-L117 HydrophobicContact CD2-CD2 4.14Å; L69-L117 HydrophobicContact CG-CD2 4.36Å
70H97.1Very high95.4Very high2 Ų233.4 Ų33.41%0.00917%0.169CC..Hα-helixtrans-60.2-48.8173-73.385.8000111.1N66 T67 A73 C74 A93 R99 P101N66-H70 HydrophobicContact CB-CB 3.9Å; T67-H70 PolarHBondContact N-ND1 3.33Å; T67-H70 WeakPolarHBondContact O-CB 3.25Å; T67-H70 PolarHBondContact O-N 2.97Å; T67-H70 PolarHBondContact OG1-ND1 3.18Å; H70-A73 PolarHBondContact O-N 3.28Å; H70-C74 WeakPolarHBondContact O-CB 3.28Å; H70-C74 PolarHBondContact O-N 2.9Å; H70-A93 PolarHBondContact CE1-O 3.21Å; H70-R99 PolarHBondContact NE2-O 3.01Å; H70-R99 VanDerWaalsContact NE2-O 3.07Å; H70-P101 WeakPolarHBondContact NE2-CD 3.41Å
71H96.4Very high95.6Very high21 Ų2130 Ų3010%0.09715%0.154CC..Hα-helixtrans-63.7-47.2-179.2-78.2-60.6000112.3Y41 D62 N66 T67 P68 A73 N75Y41-H71 HydrophobicContact CD2-CB 4.34Å; Y41-H71 AromaticContact CD2-ND1 3.43Å; Y41-H71 WeakPolarHBondContact CD2-ND1 3.41Å; D62-H71 IonicContact OD2-CE1 2.81Å; D62-H71 PolarHBondContact OD2-CE1 3.29Å; D62-H71 IonicContact OD2-NE2 3.47Å; D62-H71 PolarHBondContact OD2-NE2 3.42Å; N66-H71 WeakPolarHBondContact CB-NE2 3.19Å; T67-H71 PolarHBondContact O-N 2.94Å; P68-H71 PolarHBondContact O-N 3.22Å; H71-A73 VanDerWaalsContact C-N 3.33Å; H71-A73 PolarHBondContact O-N 3.45Å; H71-N75 WeakPolarHBondContact O-CB 3.49Å; H71-N75 PolarHBondContact O-N 3.44Å
72A97.1Very high95.7Very high0 Ų030.5 Ų30.50%016%0.157CC..Hα-helixtrans-60.1-43.3176.800000111.8A40 P68 G76 H77 C80 V81 L84A40-A72 HydrophobicContact CB-CB 4.41Å; P68-A72 WeakPolarHBondContact O-CB 3.2Å; P68-A72 PolarHBondContact O-N 3.36Å; A72-G76 PolarHBondContact O-N 3.15Å; A72-G76 VanDerWaalsContact O-N 3.07Å; A72-H77 HydrophobicContact CB-CB 4.44Å; A72-H77 PolarHBondContact O-N 3.3Å; A72-C80 HydrophobicContact CB-CB 3.9Å; A72-V81 HydrophobicContact CB-CG2 3.8Å; A72-L84 HydrophobicContact CB-CD1 4.16Å
73A96.9Very high95.9Very high0 Ų031.7 Ų31.70%016%0.162CC..Hα-helixtrans-72.4-41.3-177.900000112.8L69 H70 H71 G76 V81 P101 A105 R110 L117L69-A73 WeakPolarHBondContact O-CB 3.47Å; L69-A73 PolarHBondContact O-N 3Å; H70-A73 PolarHBondContact O-N 3.28Å; H71-A73 VanDerWaalsContact C-N 3.33Å; H71-A73 PolarHBondContact O-N 3.45Å; A73-G76 PolarHBondContact O-N 3.04Å; A73-V81 HydrophobicContact CB-CG2 4.06Å; A73-P101 HydrophobicContact CB-CB 4.41Å; A73-A105 HydrophobicContact CB-CB 4.02Å; A73-R110 WeakPolarHBondContact O-CG 3.4Å; A73-L117 HydrophobicContact CB-CD1 3.83Å
74C95.6Very high96.2Very high35 Ų3528.2 Ų28.224%0.23615%0.145CC..Hα-helixtrans-63.2-42.3176.2-1790000111.8H70 R108 R110H70-C74 WeakPolarHBondContact O-CB 3.28Å; H70-C74 PolarHBondContact O-N 2.9Å; C74-R108 VanDerWaalsContact SG-CG 3.58Å; C74-R110 PolarHBondContact O-NE 2.82Å
75N95.3Very high96.4Very high46 Ų4622.9 Ų22.925%0.24613%0.126CC..Hα-helixtrans-79.1-19.5-179.7-71.4-21.8000113.2Y41 H71 R110Y41-N75 WeakPolarHBondContact CD2-ND2 3.48Å; Y41-N75 PolarHBondContact O-ND2 2.87Å; H71-N75 WeakPolarHBondContact O-CB 3.49Å; H71-N75 PolarHBondContact O-N 3.44Å; N75-R110 PolarHBondContact O-NE 3.28Å; N75-R110 PolarHBondContact O-NH2 3.45Å; N75-R110 VanDerWaalsContact O-NH2 3.12Å
76G95.6Very high96.5Very high25 Ų2531.4 Ų31.426%0.25816%0.162SC..THydrogen-bonded Turntrans91.123.8178.200000113.8A72 A73 V78A72-G76 PolarHBondContact O-N 3.15Å; A72-G76 VanDerWaalsContact O-N 3.07Å; A73-G76 PolarHBondContact O-N 3.04Å; G76-V78 VanDerWaalsContact C-N 3.32Å; G76-V78 PolarHBondContact O-N 3.19Å
77H97Very high96.5Very high54 Ų5434.2 Ų34.225%0.2517%0.173CC..  trans-8277.2-178.9-61.4-47.1000110.8A40 Y41 G43 A72 H79 C80 V81A40-H77 PolarHBondContact O-CD2 2.81Å; Y41-H77 PolarHBondContact O-CD2 3.47Å; Y41-H77 PolarHBondContact O-NE2 3.49Å; G43-H77 WeakPolarHBondContact CA-CD2 3.35Å; G43-H77 VanDerWaalsContact CA-CG 3.46Å; G43-H77 WeakPolarHBondContact CA-NE2 3.41Å; G43-H77 PolarHBondContact N-CD2 3.09Å; G43-H77 PolarHBondContact N-NE2 2.95Å; A72-H77 HydrophobicContact CB-CB 4.44Å; A72-H77 PolarHBondContact O-N 3.3Å; H77-H79 VanDerWaalsContact C-N 3.28Å; H77-H79 PolarHBondContact O-N 3.48Å; H77-C80 HydrophobicContact CB-CB 3.94Å; H77-C80 WeakPolarHBondContact O-CB 3.34Å; H77-C80 PolarHBondContact O-N 3.5Å; H77-V81 WeakPolarHBondContact O-CG2 3.35Å; H77-V81 PolarHBondContact O-N 3.46Å
78V96.8Very high96.3Very high30 Ų3036.5 Ų36.518%0.18220%0.198CC..Hα-helixtrans-51.4-43-173.6176.70000113.2G76 V81 S82 E112 I116G76-V78 VanDerWaalsContact C-N 3.32Å; G76-V78 PolarHBondContact O-N 3.19Å; V78-V81 PolarHBondContact O-N 3.25Å; V78-S82 WeakPolarHBondContact O-CB 3.06Å; V78-S82 PolarHBondContact O-N 3.39Å; V78-S82 PolarHBondContact O-OG 3.22Å; V78-E112 HydrophobicContact CG2-CB 3.85Å; V78-I116 HydrophobicContact CG1-CD1 3.48Å; V78-I116 VanDerWaalsContact CG1-CD1 3.48Å
79H97.3Very high96.2Very high138 Ų13836.6 Ų36.664%0.63920%0.199SC*.Hα-helixtrans-69.5-40-179.6-59-52.9000112.3L45 H77 S82 F83L45-H79 HydrophobicContact CD1-CB 4.49Å; L45-H79 HydrophobicContact CD2-CB 4.05Å; H77-H79 VanDerWaalsContact C-N 3.28Å; H77-H79 PolarHBondContact O-N 3.48Å; H79-S82 PolarHBondContact O-N 3.32Å; H79-F83 WeakPolarHBondContact O-CB 3.43Å; H79-F83 PolarHBondContact O-N 2.83Å
80C97.3Very high96.1Very high2 Ų237 Ų371%0.01420%0.202CC..Hα-helixtrans-64.7-41.5174.6-62.90000111.6G43 L48 A72 H77 F83 L84G43-C80 VanDerWaalsContact C-SG 3.59Å; L48-C80 HydrophobicContact CD2-CB 3.87Å; A72-C80 HydrophobicContact CB-CB 3.9Å; H77-C80 HydrophobicContact CB-CB 3.94Å; H77-C80 WeakPolarHBondContact O-CB 3.34Å; H77-C80 PolarHBondContact O-N 3.5Å; C80-F83 PolarHBondContact O-N 3.02Å; C80-L84 WeakPolarHBondContact O-CB 3.23Å; C80-L84 VanDerWaalsContact O-CG 3.3Å; C80-L84 WeakPolarHBondContact O-CG 3.29Å; C80-L84 PolarHBondContact O-N 3.47Å
81V97.3Very high96Very high0 Ų037.2 Ų37.20%020%0.203CC..Hα-helixtrans-59-49174.4171.40000110.6L69 A72 A73 H77 V78 F83 L84 I85 I116 L117L69-V81 HydrophobicContact CD1-CB 4.44Å; L69-V81 HydrophobicContact CD1-CG1 4.12Å; L69-V81 HydrophobicContact CD1-CG2 4.43Å; A72-V81 HydrophobicContact CB-CG2 3.8Å; A73-V81 HydrophobicContact CB-CG2 4.06Å; H77-V81 WeakPolarHBondContact O-CG2 3.35Å; H77-V81 PolarHBondContact O-N 3.46Å; V78-V81 PolarHBondContact O-N 3.25Å; V81-F83 VanDerWaalsContact C-N 3.3Å; V81-F83 PolarHBondContact O-N 3.25Å; V81-L84 PolarHBondContact O-N 2.92Å; V81-I85 HydrophobicContact CG1-CD1 3.72Å; V81-I85 VanDerWaalsContact O-CG1 3.27Å; V81-I85 WeakPolarHBondContact O-CG1 3.42Å; V81-I85 PolarHBondContact O-N 3.41Å; V81-I116 HydrophobicContact CG1-CG2 4.32Å; V81-L117 HydrophobicContact CG1-CD1 4.44Å; V81-L117 HydrophobicContact CG1-CD2 4.09Å; V81-L117 HydrophobicContact CG1-CG 4Å
82S97Very high96Very high33 Ų3337.3 Ų37.323%0.23120%0.203CC..Hα-helixtrans-60.9-40.3179.1-59.40000112.1V78 H79 K86V78-S82 WeakPolarHBondContact O-CB 3.06Å; V78-S82 PolarHBondContact O-N 3.39Å; V78-S82 PolarHBondContact O-OG 3.22Å; H79-S82 PolarHBondContact O-N 3.32Å; S82-K86 VanDerWaalsContact O-CG 3.29Å; S82-K86 WeakPolarHBondContact O-CG 3.41Å; S82-K86 PolarHBondContact O-N 2.95Å
83F97.4Very high95.9Very high29 Ų2937.7 Ų37.713%0.12721%0.206CC..Hα-helixtrans-64.7-50176.1170.9-101.6000111.9L45 L48 E49 C52 H79 C80 V81 I85 K86 F87L45-F83 HydrophobicContact CD1-CB 3.64Å; L45-F83 HydrophobicContact CD1-CG 4.09Å; L48-F83 HydrophobicContact CD2-CD1 3.87Å; L48-F83 HydrophobicContact CD2-CE1 4.41Å; L48-F83 HydrophobicContact CG-CD1 3.93Å; L48-F83 HydrophobicContact CG-CE1 3.98Å; E49-F83 HydrophobicContact CB-CE2 4.27Å; E49-F83 HydrophobicContact CB-CZ 4.22Å; E49-F83 HydrophobicContact CG-CD2 3.77Å; E49-F83 HydrophobicContact CG-CE1 4.4Å; E49-F83 HydrophobicContact CG-CE2 3.62Å; E49-F83 HydrophobicContact CG-CG 4.26Å; E49-F83 HydrophobicContact CG-CZ 3.95Å; C52-F83 HydrophobicContact CB-CE1 4Å; C52-F83 HydrophobicContact CB-CZ 3.94Å; H79-F83 WeakPolarHBondContact O-CB 3.43Å; H79-F83 PolarHBondContact O-N 2.83Å; C80-F83 PolarHBondContact O-N 3.02Å; V81-F83 VanDerWaalsContact C-N 3.3Å; V81-F83 PolarHBondContact O-N 3.25Å; F83-I85 VanDerWaalsContact C-N 3.32Å; F83-I85 PolarHBondContact O-N 2.9Å; F83-K86 CarbonylContact O-C 3.6Å; F83-K86 PolarHBondContact O-N 3.37Å; F83-K86 VanDerWaalsContact O-N 3.13Å; F83-F87 HydrophobicContact CE1-CB 4.4Å; F83-F87 HydrophobicContact CE2-CD2 4.34Å; F83-F87 HydrophobicContact CZ-CB 4.24Å; F83-F87 AromaticContact CZ-CD2 3.84Å; F83-F87 HydrophobicContact CZ-CD2 3.84Å; F83-F87 HydrophobicContact CZ-CG 4.2Å; F83-F87 WeakPolarHBondContact O-CB 3.37Å; F83-F87 PolarHBondContact O-N 3.02Å
84L96.7Very high95.9Very high0 Ų039.6 Ų39.60%022%0.216CC..Hα-helixtrans-61.4-39.5-178.5-73.4168.4000112.3L48 P58 P68 L69 A72 C80 V81 F87 G88 A89L48-L84 HydrophobicContact CD1-CD2 4.37Å; L48-L84 HydrophobicContact CD2-CD1 4.15Å; L48-L84 HydrophobicContact CD2-CD2 4.13Å; L48-L84 HydrophobicContact CD2-CG 3.93Å; L48-L84 HydrophobicContact CG-CD2 4.47Å; P58-L84 HydrophobicContact CB-CD2 4.13Å; P68-L84 HydrophobicContact CB-CD1 4.05Å; P68-L84 HydrophobicContact CB-CD2 4.26Å; L69-L84 HydrophobicContact CB-CD1 4.27Å; L69-L84 HydrophobicContact CD1-CB 3.92Å; L69-L84 HydrophobicContact CD1-CD1 4.08Å; A72-L84 HydrophobicContact CB-CD1 4.16Å; C80-L84 WeakPolarHBondContact O-CB 3.23Å; C80-L84 VanDerWaalsContact O-CG 3.3Å; C80-L84 WeakPolarHBondContact O-CG 3.29Å; C80-L84 PolarHBondContact O-N 3.47Å; V81-L84 PolarHBondContact O-N 2.92Å; L84-F87 PolarHBondContact O-N 3.27Å; L84-G88 PolarHBondContact O-N 3.38Å; L84-A89 HydrophobicContact CB-CB 4.14Å; L84-A89 VanDerWaalsContact O-CB 3.26Å; L84-A89 WeakPolarHBondContact O-CB 3.38Å; L84-A89 PolarHBondContact O-N 3.23Å
85I95.7Very high95.8Very high27 Ų2738 Ų3814%0.13821%0.205CC..Hα-helixtrans-61.1-47.6174.2-69.6166.2000110.6L69 V81 F83 F87 G88 I91 I116 L117 A120L69-I85 HydrophobicContact CD1-CG1 4.45Å; V81-I85 HydrophobicContact CG1-CD1 3.72Å; V81-I85 VanDerWaalsContact O-CG1 3.27Å; V81-I85 WeakPolarHBondContact O-CG1 3.42Å; V81-I85 PolarHBondContact O-N 3.41Å; F83-I85 VanDerWaalsContact C-N 3.32Å; F83-I85 PolarHBondContact O-N 2.9Å; I85-F87 VanDerWaalsContact C-N 3.31Å; I85-F87 PolarHBondContact O-N 3.42Å; I85-G88 PolarHBondContact O-N 3.11Å; I85-G88 VanDerWaalsContact O-N 3.15Å; I85-I91 HydrophobicContact CG1-CD1 4.15Å; I85-I91 HydrophobicContact CG1-CG1 4.35Å; I85-I91 HydrophobicContact CG2-CD1 4.05Å; I85-I116 HydrophobicContact CD1-CG2 3.77Å; I85-L117 HydrophobicContact CD1-CD2 3.84Å; I85-L117 HydrophobicContact CD1-CG 4.47Å; I85-L117 HydrophobicContact CG1-CD2 4.36Å; I85-A120 HydrophobicContact CD1-CB 4.04Å; I85-A120 HydrophobicContact CG2-CB 3.82Å
86K95.1Very high95.7Very high181 Ų18137.4 Ų37.479%0.78720%0.202SC*.Hα-helixtrans-66.5-33.1178.6-72.9176.6-179.7-177.10112.8S82 F83 G88S82-K86 VanDerWaalsContact O-CG 3.29Å; S82-K86 WeakPolarHBondContact O-CG 3.41Å; S82-K86 PolarHBondContact O-N 2.95Å; F83-K86 CarbonylContact O-C 3.6Å; F83-K86 PolarHBondContact O-N 3.37Å; F83-K86 VanDerWaalsContact O-N 3.13Å; K86-G88 PolarHBondContact O-N 3.01Å
87F94.6Very high95.5Very high88 Ų8841.6 Ų41.639%0.38622%0.218SC..Hα-helixtrans-71.3-15176.2-166.3-96.4000112.4C52 P58 F83 L84 I85C52-F87 HydrophobicContact CB-CD1 4.31Å; C52-F87 HydrophobicContact CB-CD2 4.1Å; C52-F87 HydrophobicContact CB-CE1 3.95Å; C52-F87 HydrophobicContact CB-CE2 3.71Å; C52-F87 HydrophobicContact CB-CG 4.39Å; C52-F87 HydrophobicContact CB-CZ 3.64Å; P58-F87 HydrophobicContact CB-CD1 4.16Å; P58-F87 HydrophobicContact CB-CE1 4.47Å; P58-F87 HydrophobicContact CG-CD1 3.85Å; P58-F87 HydrophobicContact CG-CE1 3.91Å; F83-F87 HydrophobicContact CE1-CB 4.4Å; F83-F87 HydrophobicContact CE2-CD2 4.34Å; F83-F87 HydrophobicContact CZ-CB 4.24Å; F83-F87 AromaticContact CZ-CD2 3.84Å; F83-F87 HydrophobicContact CZ-CD2 3.84Å; F83-F87 HydrophobicContact CZ-CG 4.2Å; F83-F87 WeakPolarHBondContact O-CB 3.37Å; F83-F87 PolarHBondContact O-N 3.02Å; L84-F87 PolarHBondContact O-N 3.27Å; I85-F87 VanDerWaalsContact C-N 3.31Å; I85-F87 PolarHBondContact O-N 3.42Å
88G92Very high95.3Very high55 Ų5543.7 Ų43.757%0.56723%0.231SC*.THydrogen-bonded Turntrans96.619.1176.300000114.6L84 I85 K86L84-G88 PolarHBondContact O-N 3.38Å; I85-G88 PolarHBondContact O-N 3.11Å; I85-G88 VanDerWaalsContact O-N 3.15Å; K86-G88 PolarHBondContact O-N 3.01Å
89A95.2Very high95.2Very high2 Ų246.8 Ų46.82%0.01724%0.239CC..  trans-58.8146.6172.900000111.3P58 L84 I91P58-A89 HydrophobicContact CB-CB 4.07Å; L84-A89 HydrophobicContact CB-CB 4.14Å; L84-A89 VanDerWaalsContact O-CB 3.26Å; L84-A89 WeakPolarHBondContact O-CB 3.38Å; L84-A89 PolarHBondContact O-N 3.23Å; A89-I91 PolarHBondContact O-N 3.47Å
90N94.8Very high95.2Very high10 Ų1041.5 Ų41.55%0.05322%0.217CC..  trans-71.2104.6179.8-174.64.6000111.4D59 F92 A93 L135D59-N90 WeakPolarHBondContact OD1-CB 3.08Å; D59-N90 PolarHBondContact OD1-N 3.01Å; N90-F92 PolarHBondContact O-N 3.41Å; N90-F92 PolarHBondContact OD1-N 3.21Å; N90-A93 HydrophobicContact CB-CB 4.5Å; N90-A93 WeakPolarHBondContact O-CB 3.26Å; N90-A93 PolarHBondContact O-N 3.49Å; N90-L135 PolarHBondContact ND2-O 2.83Å
91I95.9Very high95.1Very high5 Ų541.4 Ų41.43%0.02622%0.216CC..THydrogen-bonded Turntrans-63.2-24.3178.4-50.2-177.4000112L69 I85 A89 P101 L117 A120 Q124L69-I91 HydrophobicContact CD2-CB 4.49Å; L69-I91 HydrophobicContact CD2-CG1 4.44Å; I85-I91 HydrophobicContact CG1-CD1 4.15Å; I85-I91 HydrophobicContact CG1-CG1 4.35Å; I85-I91 HydrophobicContact CG2-CD1 4.05Å; A89-I91 PolarHBondContact O-N 3.47Å; I91-P101 WeakPolarHBondContact O-CD 3.48Å; I91-L117 HydrophobicContact CG2-CD2 3.88Å; I91-A120 HydrophobicContact CD1-CB 3.72Å; I91-Q124 HydrophobicContact CD1-CG 4.5Å
92F95.4Very high95Very high24 Ų2443.7 Ų43.711%0.10523%0.228CC..THydrogen-bonded Turntrans-99.113.1-177.8-50.7-73.3000113.3N90 A121 V132 L135 K136 A139N90-F92 PolarHBondContact O-N 3.41Å; N90-F92 PolarHBondContact OD1-N 3.21Å; F92-A121 HydrophobicContact CE1-CB 4.05Å; F92-A121 HydrophobicContact CZ-CB 4.15Å; F92-V132 HydrophobicContact CD2-CG1 4.34Å; F92-V132 HydrophobicContact CE1-CG1 4.33Å; F92-V132 HydrophobicContact CE2-CB 4.28Å; F92-V132 HydrophobicContact CE2-CG1 3.71Å; F92-V132 HydrophobicContact CE2-CG2 3.96Å; F92-V132 HydrophobicContact CZ-CG1 3.69Å; F92-V132 HydrophobicContact CZ-CG2 4.22Å; F92-L135 HydrophobicContact CD2-CB 4.17Å; F92-L135 HydrophobicContact CD2-CD1 4.48Å; F92-K136 HydrophobicContact CB-CG 3.85Å; F92-K136 HydrophobicContact CD1-CG 4.2Å; F92-K136 HydrophobicContact CD2-CG 4.36Å; F92-K136 HydrophobicContact CG-CG 3.87Å; F92-A139 WeakPolarHBondContact O-CB 3.42Å
93A95.3Very high95Very high7 Ų746.8 Ų46.86%0.05824%0.239CC..  trans-53.7150173.200000110.8T67 H70 N90 T100 P101T67-A93 HydrophobicContact CG2-CB 3.75Å; H70-A93 PolarHBondContact CE1-O 3.21Å; N90-A93 HydrophobicContact CB-CB 4.5Å; N90-A93 WeakPolarHBondContact O-CB 3.26Å; N90-A93 PolarHBondContact O-N 3.49Å; A93-T100 WeakPolarHBondContact O-CA 3.48Å; A93-P101 VanDerWaalsContact O-CD 3.26Å; A93-P101 WeakPolarHBondContact O-CD 3.41Å
94L96.1Very high94.8Very high40 Ų4045.7 Ų45.721%0.20924%0.235CC..  trans-121.6134.7-179.2-64.1175.5000109.7L98 R99 T100 A139 A143L94-L98 HydrophobicContact CD1-CD2 4.43Å; L94-R99 WeakPolarHBondContact CA-O 3.4Å; L94-T100 HydrophobicContact CD2-CG2 3.6Å; L94-A139 HydrophobicContact CG-CB 4.26Å; L94-A143 HydrophobicContact CB-CB 3.83Å
95D94.5Very high94.8Very high2 Ų245.7 Ų45.71%0.01124%0.235CC..  trans-76.6-179.1169.174.72000111.8D97 L98 R99D95-D97 PolarHBondContact O-N 2.87Å; D95-D97 VanDerWaalsContact OD1-C 3.25Å; D95-D97 VanDerWaalsContact OD1-CA 3.31Å; D95-D97 WeakPolarHBondContact OD1-CA 3.44Å; D95-D97 WeakPolarHBondContact OD1-CB 3.27Å; D95-D97 PolarHBondContact OD1-N 3.04Å; D95-L98 PolarHBondContact O-N 2.87Å; D95-L98 PolarHBondContact OD1-N 3.31Å; D95-R99 PolarHBondContact N-O 2.9Å; D95-R99 WeakPolarHBondContact OD1-CB 3.37Å; D95-R99 PolarHBondContact OD1-N 2.84Å; D95-R99 IonicContact OD1-NE 2.86Å; D95-R99 IonicContact OD2-CZ 3.59Å; D95-R99 VanDerWaalsContact OD2-CZ 3.27Å; D95-R99 IonicContact OD2-NE 2.7Å; D95-R99 PolarHBondContact OD2-NE 2.95Å; D95-R99 IonicContact OD2-NH2 3.46Å; D95-R99 PolarHBondContact OD2-NH2 3.47Å
96N92.3Very high94.8Very high34 Ų3446.9 Ų46.918%0.18225%0.249CC..THydrogen-bonded Turntrans-65.4-20.5177.8-72.2-9.2000113.5I63 W64 I147I63-N96 PolarHBondContact O-ND2 3.07Å; I63-N96 VanDerWaalsContact O-ND2 3.11Å; W64-N96 VanDerWaalsContact CA-ND2 3.33Å; W64-N96 WeakPolarHBondContact CA-ND2 3.38Å; W64-N96 VanDerWaalsContact O-CB 3.26Å; W64-N96 WeakPolarHBondContact O-CB 2.98Å; W64-N96 PolarHBondContact O-N 3.4Å; W64-N96 PolarHBondContact O-ND2 2.96Å; N96-I147 HydrophobicContact CB-CG1 4.42Å
97D91.3Very high94.8Very high112 Ų11241.8 Ų41.860%0.59924%0.236SC*.THydrogen-bonded Turntrans-88.98.1174.4-62.8-38.2000111.8D95 R99D95-D97 PolarHBondContact O-N 2.87Å; D95-D97 VanDerWaalsContact OD1-C 3.25Å; D95-D97 VanDerWaalsContact OD1-CA 3.31Å; D95-D97 WeakPolarHBondContact OD1-CA 3.44Å; D95-D97 WeakPolarHBondContact OD1-CB 3.27Å; D95-D97 PolarHBondContact OD1-N 3.04Å; D97-R99 HydrophobicContact CB-CG 4.15Å; D97-R99 PolarHBondContact O-N 2.88Å; D97-R99 IonicContact OD2-CZ 3.74Å; D97-R99 VanDerWaalsContact OD2-CZ 3.27Å; D97-R99 IonicContact OD2-NE 3.59Å; D97-R99 IonicContact OD2-NH1 3.42Å; D97-R99 IonicContact OD2-NH2 2.9Å; D97-R99 PolarHBondContact OD2-NH2 3.01Å
98L93.9Very high94.7Very high99 Ų9943.6 Ų43.652%0.51824%0.24SC..  trans59.129.8-176.2-54.4176.6000113.7L94 D95 A143 I147L94-L98 HydrophobicContact CD1-CD2 4.43Å; D95-L98 PolarHBondContact O-N 2.87Å; D95-L98 PolarHBondContact OD1-N 3.31Å; L98-A143 HydrophobicContact CD2-CB 4.06Å; L98-I147 HydrophobicContact CD2-CD1 3.86Å; L98-I147 HydrophobicContact CG-CD1 4.42Å
99R94.5Very high94.8Very high95 Ų9547.1 Ų47.136%0.35825%0.246SC..  trans-93.7145174.3-59.3177.3-61.9-157-10.6110.6H70 L94 D95 D97 E103H70-R99 PolarHBondContact NE2-O 3.01Å; H70-R99 VanDerWaalsContact NE2-O 3.07Å; L94-R99 WeakPolarHBondContact CA-O 3.4Å; D95-R99 PolarHBondContact N-O 2.9Å; D95-R99 WeakPolarHBondContact OD1-CB 3.37Å; D95-R99 PolarHBondContact OD1-N 2.84Å; D95-R99 IonicContact OD1-NE 2.86Å; D95-R99 IonicContact OD2-CZ 3.59Å; D95-R99 VanDerWaalsContact OD2-CZ 3.27Å; D95-R99 IonicContact OD2-NE 2.7Å; D95-R99 PolarHBondContact OD2-NE 2.95Å; D95-R99 IonicContact OD2-NH2 3.46Å; D95-R99 PolarHBondContact OD2-NH2 3.47Å; D97-R99 HydrophobicContact CB-CG 4.15Å; D97-R99 PolarHBondContact O-N 2.88Å; D97-R99 IonicContact OD2-CZ 3.74Å; D97-R99 VanDerWaalsContact OD2-CZ 3.27Å; D97-R99 IonicContact OD2-NE 3.59Å; D97-R99 IonicContact OD2-NH1 3.42Å; D97-R99 IonicContact OD2-NH2 2.9Å; D97-R99 PolarHBondContact OD2-NH2 3.01Å; R99-E103 VanDerWaalsContact CA-OE2 3.27Å; R99-E103 WeakPolarHBondContact CA-OE2 3.35Å; R99-E103 HydrophobicContact CB-CB 4.25Å
100T96Very high94.9Very high27 Ų2751.3 Ų51.317%0.16626%0.262CS..  trans-83.9162.4171.258.70000111.7A93 L94 L102 E103 A104A93-T100 WeakPolarHBondContact O-CA 3.48Å; L94-T100 HydrophobicContact CD2-CG2 3.6Å; T100-L102 PolarHBondContact O-N 2.95Å; T100-L102 VanDerWaalsContact O-N 3.17Å; T100-E103 PolarHBondContact N-OE2 2.85Å; T100-E103 PolarHBondContact O-N 2.82Å; T100-E103 WeakPolarHBondContact OG1-CG 3.27Å; T100-E103 PolarHBondContact OG1-N 3.11Å; T100-E103 PolarHBondContact OG1-OE2 3.11Å; T100-E103 VanDerWaalsContact OG1-OE2 3.09Å; T100-A104 PolarHBondContact O-N 2.74Å
101P95.6Very high94.9Very high0 Ų056.6 Ų56.60%029%0.29CS..Hα-helixtrans-56.1-32.3171.9-2430.7000113.2L69 H70 A73 I91 A93 A105 L117L69-P101 HydrophobicContact CB-CB 4.46Å; L69-P101 HydrophobicContact CB-CG 4.27Å; L69-P101 HydrophobicContact CD2-CB 4.18Å; L69-P101 HydrophobicContact CD2-CG 3.96Å; L69-P101 HydrophobicContact CG-CB 3.88Å; L69-P101 HydrophobicContact CG-CG 4Å; H70-P101 WeakPolarHBondContact NE2-CD 3.41Å; A73-P101 HydrophobicContact CB-CB 4.41Å; I91-P101 WeakPolarHBondContact O-CD 3.48Å; A93-P101 VanDerWaalsContact O-CD 3.26Å; A93-P101 WeakPolarHBondContact O-CD 3.41Å; P101-A105 WeakPolarHBondContact O-CB 3.37Å; P101-A105 PolarHBondContact O-N 3.17Å; P101-L117 HydrophobicContact CB-CD1 4.38Å
102L96.4Very high94.9Very high47 Ų4763 Ų6325%0.24632%0.32CS..Hα-helixtrans-63.9-48.1175.2178.666.2000111.3T100 A105 A106 V114 L117 D118T100-L102 PolarHBondContact O-N 2.95Å; T100-L102 VanDerWaalsContact O-N 3.17Å; L102-A105 PolarHBondContact O-N 3.41Å; L102-A106 WeakPolarHBondContact O-CB 3.45Å; L102-A106 PolarHBondContact O-N 3.07Å; L102-V114 HydrophobicContact CD1-CB 4.23Å; L102-V114 HydrophobicContact CD1-CG1 3.82Å; L102-V114 HydrophobicContact CD1-CG2 4.47Å; L102-V114 WeakPolarHBondContact CD1-O 3.07Å; L102-L117 HydrophobicContact CB-CB 4.41Å; L102-L117 HydrophobicContact CD1-CB 3.77Å; L102-D118 HydrophobicContact CD1-CB 4.39Å
103E95.5Very high94.9Very high99 Ų9961.9 Ų61.946%0.46332%0.315SS..Hα-helixtrans-67.5-36.6177.5-70.8163.7156.100111.7R99 T100 A106 S107R99-E103 VanDerWaalsContact CA-OE2 3.27Å; R99-E103 WeakPolarHBondContact CA-OE2 3.35Å; R99-E103 HydrophobicContact CB-CB 4.25Å; T100-E103 PolarHBondContact N-OE2 2.85Å; T100-E103 PolarHBondContact O-N 2.82Å; T100-E103 WeakPolarHBondContact OG1-CG 3.27Å; T100-E103 PolarHBondContact OG1-N 3.11Å; T100-E103 PolarHBondContact OG1-OE2 3.11Å; T100-E103 VanDerWaalsContact OG1-OE2 3.09Å; E103-A106 PolarHBondContact O-N 3.07Å; E103-S107 WeakPolarHBondContact O-CB 3.48Å; E103-S107 PolarHBondContact O-N 3.48Å
104A94.4Very high95Very high6 Ų663.3 Ų63.35%0.0532%0.323CS..Hα-helixtrans-60.8-45.6173.300000111.4T100 S107 R108T100-A104 PolarHBondContact O-N 2.74Å; A104-S107 PolarHBondContact O-N 3.35Å; A104-S107 PolarHBondContact O-OG 3.2Å; A104-R108 WeakPolarHBondContact O-CG 3.49Å
105A96Very high95Very high0 Ų063.8 Ų63.80%033%0.33CS..Hα-helixtrans-62.4-42.6174.100000112.7A73 P101 L102 R108 D109 R110 C113 V114 L117A73-A105 HydrophobicContact CB-CB 4.02Å; P101-A105 WeakPolarHBondContact O-CB 3.37Å; P101-A105 PolarHBondContact O-N 3.17Å; L102-A105 PolarHBondContact O-N 3.41Å; A105-R108 PolarHBondContact O-N 2.89Å; A105-D109 PolarHBondContact O-N 3.07Å; A105-R110 HydrophobicContact CB-CB 4.21Å; A105-R110 PolarHBondContact O-N 2.87Å; A105-C113 HydrophobicContact CB-CB 4.12Å; A105-V114 HydrophobicContact CB-CG2 3.73Å; A105-L117 HydrophobicContact CB-CD1 4.42Å
106A95.7Very high95.1Very high52 Ų5266 Ų6643%0.4334%0.341SS..Hα-helixtrans-63.7-40178.500000111.9L102 E103 R108 D109 V114L102-A106 WeakPolarHBondContact O-CB 3.45Å; L102-A106 PolarHBondContact O-N 3.07Å; E103-A106 PolarHBondContact O-N 3.07Å; A106-R108 PolarHBondContact O-N 3.44Å; A106-R108 VanDerWaalsContact O-N 3.11Å; A106-D109 PolarHBondContact O-N 3.1Å; A106-V114 HydrophobicContact CB-CG2 4.09Å
107S94.4Very high95.3Very high74 Ų7464.4 Ų64.452%0.51733%0.332SS..Hα-helixtrans-64.2-16.3177.976.70000114.2E103 A104E103-S107 WeakPolarHBondContact O-CB 3.48Å; E103-S107 PolarHBondContact O-N 3.48Å; A104-S107 PolarHBondContact O-N 3.35Å; A104-S107 PolarHBondContact O-OG 3.2Å
108R93.6Very high95.5Very high125 Ų12563 Ų6347%0.47233%0.325SS..THydrogen-bonded Turntrans-112.210-177.6-64.9-67.4-56.3156.46.3112.8C74 A104 A105 A106 R110C74-R108 VanDerWaalsContact SG-CG 3.58Å; A104-R108 WeakPolarHBondContact O-CG 3.49Å; A105-R108 PolarHBondContact O-N 2.89Å; A106-R108 PolarHBondContact O-N 3.44Å; A106-R108 VanDerWaalsContact O-N 3.11Å; R108-R110 VanDerWaalsContact C-N 3.26Å; R108-R110 HydrophobicContact CB-CG 3.89Å; R108-R110 WeakPolarHBondContact O-CD 3.27Å; R108-R110 PolarHBondContact O-N 3.09Å
109D94.4Very high95.6Very high129 Ų12963.9 Ų63.969%0.6933%0.325SS*.THydrogen-bonded Turntrans55.535.2-177.5-57.6-50.4000113.7A105 A106 N111A105-D109 PolarHBondContact O-N 3.07Å; A106-D109 PolarHBondContact O-N 3.1Å; D109-N111 VanDerWaalsContact C-N 3.33Å; D109-N111 PolarHBondContact O-N 3.31Å; D109-N111 VanDerWaalsContact O-N 3.12Å
110R96.3Very high95.6Very high90 Ų9059.8 Ų59.834%0.3431%0.311SS..  trans-87.467.7178.4-54.2-48.2-166.4-17312.6111.6A73 C74 N75 A105 R108 E112 C113 V114A73-R110 WeakPolarHBondContact O-CG 3.4Å; C74-R110 PolarHBondContact O-NE 2.82Å; N75-R110 PolarHBondContact O-NE 3.28Å; N75-R110 PolarHBondContact O-NH2 3.45Å; N75-R110 VanDerWaalsContact O-NH2 3.12Å; A105-R110 HydrophobicContact CB-CB 4.21Å; A105-R110 PolarHBondContact O-N 2.87Å; R108-R110 VanDerWaalsContact C-N 3.26Å; R108-R110 HydrophobicContact CB-CG 3.89Å; R108-R110 WeakPolarHBondContact O-CD 3.27Å; R108-R110 PolarHBondContact O-N 3.09Å; R110-E112 VanDerWaalsContact C-N 3.3Å; R110-E112 PolarHBondContact O-N 3.38Å; R110-C113 HydrophobicContact CB-CB 4.13Å; R110-C113 PolarHBondContact O-N 2.96Å; R110-C113 VanDerWaalsContact O-N 3.1Å; R110-V114 WeakPolarHBondContact O-CG2 3.38Å; R110-V114 PolarHBondContact O-N 2.87Å
111N94.6Very high95.5Very high122 Ų12259.3 Ų59.365%0.65231%0.31SS*.Hα-helixtrans-53.9-39-171.9-65.3-36.3000114.7D109 V114 S115D109-N111 VanDerWaalsContact C-N 3.33Å; D109-N111 PolarHBondContact O-N 3.31Å; D109-N111 VanDerWaalsContact O-N 3.12Å; N111-V114 PolarHBondContact O-N 3.37Å; N111-S115 PolarHBondContact O-N 2.9Å
112E95.9Very high95.5Very high138 Ų13862.7 Ų62.765%0.64533%0.331SS*.Hα-helixtrans-66-45178.7-67.7-176-167.100111.9V78 R110 V114 S115 I116V78-E112 HydrophobicContact CG2-CB 3.85Å; R110-E112 VanDerWaalsContact C-N 3.3Å; R110-E112 PolarHBondContact O-N 3.38Å; E112-V114 VanDerWaalsContact C-N 3.33Å; E112-V114 PolarHBondContact O-N 3.32Å; E112-S115 PolarHBondContact O-N 2.87Å; E112-I116 WeakPolarHBondContact O-CG1 3.41Å; E112-I116 PolarHBondContact O-N 3.36Å; E112-I116 VanDerWaalsContact O-N 3.1Å
113C95.9Very high95.3Very high1 Ų166.1 Ų66.11%0.00735%0.345CS..Hα-helixtrans-62.7-41.5175-650000111.4A105 R110 I116 L117A105-C113 HydrophobicContact CB-CB 4.12Å; R110-C113 HydrophobicContact CB-CB 4.13Å; R110-C113 PolarHBondContact O-N 2.96Å; R110-C113 VanDerWaalsContact O-N 3.1Å; C113-I116 PolarHBondContact O-N 3.13Å; C113-L117 WeakPolarHBondContact O-CB 3.49Å; C113-L117 WeakPolarHBondContact O-CG 3.18Å; C113-L117 PolarHBondContact O-N 3.32Å
114V96.8Very high95.2Very high37 Ų3763.7 Ų63.722%0.22433%0.334CS..Hα-helixtrans-58.8-48.3175.7172.10000110.7L102 A105 A106 R110 N111 E112 I116 L117 D118L102-V114 HydrophobicContact CD1-CB 4.23Å; L102-V114 HydrophobicContact CD1-CG1 3.82Å; L102-V114 HydrophobicContact CD1-CG2 4.47Å; L102-V114 WeakPolarHBondContact CD1-O 3.07Å; A105-V114 HydrophobicContact CB-CG2 3.73Å; A106-V114 HydrophobicContact CB-CG2 4.09Å; R110-V114 WeakPolarHBondContact O-CG2 3.38Å; R110-V114 PolarHBondContact O-N 2.87Å; N111-V114 PolarHBondContact O-N 3.37Å; E112-V114 VanDerWaalsContact C-N 3.33Å; E112-V114 PolarHBondContact O-N 3.32Å; V114-I116 VanDerWaalsContact C-N 3.32Å; V114-I116 PolarHBondContact O-N 3.48Å; V114-L117 PolarHBondContact O-N 3.07Å; V114-D118 VanDerWaalsContact O-CB 3.29Å; V114-D118 WeakPolarHBondContact O-CB 3.2Å; V114-D118 PolarHBondContact O-N 3.24Å
115S96.9Very high95.1Very high51 Ų5167.1 Ų67.136%0.35735%0.351SS..Hα-helixtrans-61.4-39.8179.5-174.60000112.7N111 E112 K119N111-S115 PolarHBondContact O-N 2.9Å; E112-S115 PolarHBondContact O-N 2.87Å; S115-K119 WeakPolarHBondContact O-CB 3.26Å; S115-K119 WeakPolarHBondContact O-CD 3.48Å; S115-K119 VanDerWaalsContact O-CG 3.22Å; S115-K119 WeakPolarHBondContact O-CG 3.35Å; S115-K119 PolarHBondContact O-N 3.19Å; S115-K119 VanDerWaalsContact O-N 3.12Å; S115-K119 PolarHBondContact OG-NZ 3.18Å
116I97Very high94.9Very high47 Ų4774.6 Ų74.624%0.24139%0.388CS..Hα-helixtrans-70-45.1179.2-68.6167.4000111V78 V81 I85 E112 C113 V114 K119 A120V78-I116 HydrophobicContact CG1-CD1 3.48Å; V78-I116 VanDerWaalsContact CG1-CD1 3.48Å; V81-I116 HydrophobicContact CG1-CG2 4.32Å; I85-I116 HydrophobicContact CD1-CG2 3.77Å; E112-I116 WeakPolarHBondContact O-CG1 3.41Å; E112-I116 PolarHBondContact O-N 3.36Å; E112-I116 VanDerWaalsContact O-N 3.1Å; C113-I116 PolarHBondContact O-N 3.13Å; V114-I116 VanDerWaalsContact C-N 3.32Å; V114-I116 PolarHBondContact O-N 3.48Å; I116-K119 PolarHBondContact O-N 3.37Å; I116-A120 VanDerWaalsContact O-CB 3.3Å; I116-A120 WeakPolarHBondContact O-CB 3.49Å; I116-A120 PolarHBondContact O-N 3.15Å
117L95.9Very high94.7Very high1 Ų178.3 Ų78.31%0.00540%0.4CS..Hα-helixtrans-65.5-40.4179.9-75.6164.9000111.8L69 A73 V81 I85 I91 P101 L102 A105 C113 V114 A120 A121L69-L117 HydrophobicContact CD1-CD2 4.26Å; L69-L117 HydrophobicContact CD2-CD2 4.14Å; L69-L117 HydrophobicContact CG-CD2 4.36Å; A73-L117 HydrophobicContact CB-CD1 3.83Å; V81-L117 HydrophobicContact CG1-CD1 4.44Å; V81-L117 HydrophobicContact CG1-CD2 4.09Å; V81-L117 HydrophobicContact CG1-CG 4Å; I85-L117 HydrophobicContact CD1-CD2 3.84Å; I85-L117 HydrophobicContact CD1-CG 4.47Å; I85-L117 HydrophobicContact CG1-CD2 4.36Å; I91-L117 HydrophobicContact CG2-CD2 3.88Å; P101-L117 HydrophobicContact CB-CD1 4.38Å; L102-L117 HydrophobicContact CB-CB 4.41Å; L102-L117 HydrophobicContact CD1-CB 3.77Å; A105-L117 HydrophobicContact CB-CD1 4.42Å; C113-L117 WeakPolarHBondContact O-CB 3.49Å; C113-L117 WeakPolarHBondContact O-CG 3.18Å; C113-L117 PolarHBondContact O-N 3.32Å; V114-L117 PolarHBondContact O-N 3.07Å; L117-A120 PolarHBondContact O-N 3.42Å; L117-A121 VanDerWaalsContact O-CB 3.25Å; L117-A121 WeakPolarHBondContact O-CB 3.44Å; L117-A121 PolarHBondContact O-N 2.64Å
118D96.1Very high94.6Very high84 Ų8479.2 Ų79.245%0.44940%0.4SS..Hα-helixtrans-65.4-47177-174.354000111.7L102 V114 A120 A121 T122L102-D118 HydrophobicContact CD1-CB 4.39Å; V114-D118 VanDerWaalsContact O-CB 3.29Å; V114-D118 WeakPolarHBondContact O-CB 3.2Å; V114-D118 PolarHBondContact O-N 3.24Å; D118-A120 PolarHBondContact O-N 3.29Å; D118-A121 PolarHBondContact O-N 3.09Å; D118-T122 WeakPolarHBondContact O-CG2 3.49Å; D118-T122 PolarHBondContact O-N 2.81Å; D118-T122 PolarHBondContact O-OG1 2.77Å
119K95.9Very high94.6Very high116 Ų11677 Ų7750%0.50440%0.401SS..Hα-helixtrans-56.9-49.9172.8-74.9170.9-177.2167.50111.5S115 I116 A121 T122 E123S115-K119 WeakPolarHBondContact O-CB 3.26Å; S115-K119 WeakPolarHBondContact O-CD 3.48Å; S115-K119 VanDerWaalsContact O-CG 3.22Å; S115-K119 WeakPolarHBondContact O-CG 3.35Å; S115-K119 PolarHBondContact O-N 3.19Å; S115-K119 VanDerWaalsContact O-N 3.12Å; S115-K119 PolarHBondContact OG-NZ 3.18Å; I116-K119 PolarHBondContact O-N 3.37Å; K119-A121 VanDerWaalsContact C-N 3.32Å; K119-A121 PolarHBondContact O-N 3.39Å; K119-T122 PolarHBondContact O-N 3.23Å; K119-T122 PolarHBondContact O-OG1 3.45Å; K119-E123 WeakPolarHBondContact O-CB 3.37Å; K119-E123 VanDerWaalsContact O-CG 3.29Å; K119-E123 WeakPolarHBondContact O-CG 3.34Å; K119-E123 PolarHBondContact O-N 3.46Å
120A95.1Very high94.5Very high9 Ų979.6 Ų79.67%0.07441%0.406CS..Hα-helixtrans-62.2-38.6179.100000112.6I85 I91 I116 L117 D118 Q124I85-A120 HydrophobicContact CD1-CB 4.04Å; I85-A120 HydrophobicContact CG2-CB 3.82Å; I91-A120 HydrophobicContact CD1-CB 3.72Å; I116-A120 VanDerWaalsContact O-CB 3.3Å; I116-A120 WeakPolarHBondContact O-CB 3.49Å; I116-A120 PolarHBondContact O-N 3.15Å; L117-A120 PolarHBondContact O-N 3.42Å; D118-A120 PolarHBondContact O-N 3.29Å; A120-Q124 WeakPolarHBondContact O-CB 3.35Å; A120-Q124 WeakPolarHBondContact O-CG 3.49Å; A120-Q124 PolarHBondContact O-N 2.74Å
121A94Very high94.3Very high17 Ų1781.8 Ų81.814%0.1442%0.418CS..Hα-helixtrans-66.5-43177.200000112.1F92 L117 D118 K119 N125F92-A121 HydrophobicContact CE1-CB 4.05Å; F92-A121 HydrophobicContact CZ-CB 4.15Å; L117-A121 VanDerWaalsContact O-CB 3.25Å; L117-A121 WeakPolarHBondContact O-CB 3.44Å; L117-A121 PolarHBondContact O-N 2.64Å; D118-A121 PolarHBondContact O-N 3.09Å; K119-A121 VanDerWaalsContact C-N 3.32Å; K119-A121 PolarHBondContact O-N 3.39Å; A121-N125 WeakPolarHBondContact O-CB 3.49Å; A121-N125 PolarHBondContact O-N 2.89Å
122T94.1Very high94.3Very high71 Ų7176.1 Ų76.144%0.43639%0.388SS..Hα-helixtrans-65.6-43.7175.958.40000111.6D118 K119 N125 M126D118-T122 WeakPolarHBondContact O-CG2 3.49Å; D118-T122 PolarHBondContact O-N 2.81Å; D118-T122 PolarHBondContact O-OG1 2.77Å; K119-T122 PolarHBondContact O-N 3.23Å; K119-T122 PolarHBondContact O-OG1 3.45Å; T122-N125 PolarHBondContact O-N 3.2Å; T122-M126 VanDerWaalsContact O-CG 3.29Å; T122-M126 WeakPolarHBondContact O-CG 3.21Å; T122-M126 PolarHBondContact O-N 3.29Å
123E93.7Very high94.2Very high119 Ų11973.3 Ų73.356%0.55638%0.384SS*.Hα-helixtrans-59-48.7175.3-74.3171.8-171.900111.7K119 N125 M126 L127K119-E123 WeakPolarHBondContact O-CB 3.37Å; K119-E123 VanDerWaalsContact O-CG 3.29Å; K119-E123 WeakPolarHBondContact O-CG 3.34Å; K119-E123 PolarHBondContact O-N 3.46Å; E123-N125 VanDerWaalsContact C-N 3.29Å; E123-N125 PolarHBondContact O-N 3.4Å; E123-M126 PolarHBondContact O-N 3.01Å; E123-L127 WeakPolarHBondContact O-CB 3.43Å; E123-L127 VanDerWaalsContact O-CG 3.29Å; E123-L127 WeakPolarHBondContact O-CG 3.48Å; E123-L127 PolarHBondContact O-N 3.41Å
124Q92.3Very high94.2Very high49 Ų4981 Ų8123%0.22942%0.417CS..Hα-helixtrans-62-36.7177.1-75-170.85.400112.7I91 A120 N128 V132I91-Q124 HydrophobicContact CD1-CG 4.5Å; A120-Q124 WeakPolarHBondContact O-CB 3.35Å; A120-Q124 WeakPolarHBondContact O-CG 3.49Å; A120-Q124 PolarHBondContact O-N 2.74Å; Q124-N128 PolarHBondContact O-N 3.05Å; Q124-V132 HydrophobicContact CB-CG2 4.07Å
125N92.7Very high94.1Very high77 Ų7781.2 Ų81.241%0.41242%0.417SS..Hα-helixtrans-70.1-36.7177.9-170.761.1000112.5A121 T122 E123 P129 V132A121-N125 WeakPolarHBondContact O-CB 3.49Å; A121-N125 PolarHBondContact O-N 2.89Å; T122-N125 PolarHBondContact O-N 3.2Å; E123-N125 VanDerWaalsContact C-N 3.29Å; E123-N125 PolarHBondContact O-N 3.4Å; N125-P129 WeakPolarHBondContact O-CD 3.24Å; N125-V132 HydrophobicContact CB-CG2 4.35Å
126M92.6Very high94Very high157 Ų15784 Ų8477%0.77342%0.422SS*.Hα-helixtrans-69.7-40.1174.9-70-62.5-68.900112T122 E123T122-M126 VanDerWaalsContact O-CG 3.29Å; T122-M126 WeakPolarHBondContact O-CG 3.21Å; T122-M126 PolarHBondContact O-N 3.29Å; E123-M126 PolarHBondContact O-N 3.01Å
127L91.8Very high93.9Very high130 Ų13083.3 Ų83.368%0.68142%0.424SS*.Hα-helixtrans-68.6-49.4178.5-70.9169000111.7E123E123-L127 WeakPolarHBondContact O-CB 3.43Å; E123-L127 VanDerWaalsContact O-CG 3.29Å; E123-L127 WeakPolarHBondContact O-CG 3.48Å; E123-L127 PolarHBondContact O-N 3.41Å
128N91.8Very high93.8Very high94 Ų9487.2 Ų87.250%0.50344%0.442SS..  trans-15184.9-172.7-80.5-62.6000113Q124 K130 K131 V132Q124-N128 PolarHBondContact O-N 3.05Å; N128-K130 VanDerWaalsContact C-N 3.27Å; N128-K130 PolarHBondContact O-N 3.14Å; N128-K131 HydrophobicContact CB-CB 3.74Å; N128-K131 PolarHBondContact O-N 3.15Å; N128-K131 VanDerWaalsContact O-N 3.11Å; N128-V132 PolarHBondContact O-N 2.89Å; N128-V132 VanDerWaalsContact O-N 3.12Å
129P93.1Very high93.7Very high78 Ų7883.3 Ų83.351%0.50642%0.422SS..Hα-helixtrans-64.2-31.4-178.624.5-33.8000112.9N125 V132 S133N125-P129 WeakPolarHBondContact O-CD 3.24Å; P129-V132 PolarHBondContact O-N 3.27Å; P129-S133 PolarHBondContact O-N 3.43Å
130K93.1Very high93.7Very high184 Ų18482.9 Ų82.980%0.842%0.421SS*.Hα-helixtrans-65-41.4174.9-66.9-177.1-178.6174.90111.9N128 S133 K134N128-K130 VanDerWaalsContact C-N 3.27Å; N128-K130 PolarHBondContact O-N 3.14Å; K130-S133 PolarHBondContact O-N 2.86Å; K130-K134 PolarHBondContact O-N 3.02Å
131K91.9Very high93.6Very high135 Ų13588.9 Ų88.959%0.58744%0.442SS*.Hα-helixtrans-64.2-44.7176.9-174.8175.9179.9174.60110.4N128 S133 K134 L135N128-K131 HydrophobicContact CB-CB 3.74Å; N128-K131 PolarHBondContact O-N 3.15Å; N128-K131 VanDerWaalsContact O-N 3.11Å; K131-S133 VanDerWaalsContact C-N 3.34Å; K131-S133 PolarHBondContact O-N 3.35Å; K131-K134 WeakPolarHBondContact O-CB 3.24Å; K131-K134 PolarHBondContact O-N 3.02Å; K131-K134 VanDerWaalsContact O-N 3.15Å; K131-L135 HydrophobicContact CG-CD1 4.2Å; K131-L135 HydrophobicContact CG-CG 4.45Å; K131-L135 WeakPolarHBondContact O-CG 3.18Å; K131-L135 PolarHBondContact O-N 2.86Å
132V93.7Very high93.6Very high4 Ų491.1 Ų91.12%0.02445%0.452CS..Hα-helixtrans-58.6-44.3175.61720000111.7F92 Q124 N125 N128 P129 K134 L135 K136F92-V132 HydrophobicContact CD2-CG1 4.34Å; F92-V132 HydrophobicContact CE1-CG1 4.33Å; F92-V132 HydrophobicContact CE2-CB 4.28Å; F92-V132 HydrophobicContact CE2-CG1 3.71Å; F92-V132 HydrophobicContact CE2-CG2 3.96Å; F92-V132 HydrophobicContact CZ-CG1 3.69Å; F92-V132 HydrophobicContact CZ-CG2 4.22Å; Q124-V132 HydrophobicContact CB-CG2 4.07Å; N125-V132 HydrophobicContact CB-CG2 4.35Å; N128-V132 PolarHBondContact O-N 2.89Å; N128-V132 VanDerWaalsContact O-N 3.12Å; P129-V132 PolarHBondContact O-N 3.27Å; V132-K134 VanDerWaalsContact C-N 3.35Å; V132-K134 PolarHBondContact O-N 3.05Å; V132-L135 PolarHBondContact O-N 3.46Å; V132-K136 HydrophobicContact CG1-CD 4.09Å; V132-K136 HydrophobicContact CG1-CG 4.42Å; V132-K136 WeakPolarHBondContact O-CB 3.5Å; V132-K136 WeakPolarHBondContact O-CG 3.34Å; V132-K136 PolarHBondContact O-N 2.82Å
133S94.8Very high93.5Very high78 Ų7887.8 Ų87.855%0.54543%0.432SS..Hα-helixtrans-59.8-43.4175.3-174.40000112.2P129 K130 K131 K136 A137P129-S133 PolarHBondContact O-N 3.43Å; K130-S133 PolarHBondContact O-N 2.86Å; K131-S133 VanDerWaalsContact C-N 3.34Å; K131-S133 PolarHBondContact O-N 3.35Å; S133-K136 PolarHBondContact O-N 3.03Å; S133-A137 WeakPolarHBondContact O-CB 3.33Å; S133-A137 PolarHBondContact O-N 2.95Å
134K94.9Very high93.5Very high162 Ų16285.8 Ų85.870%0.70442%0.422SS*.Hα-helixtrans-62.4-44.3175.1-171.1-178.8178.9-1750112K130 K131 V132 A137 Q138K130-K134 PolarHBondContact O-N 3.02Å; K131-K134 WeakPolarHBondContact O-CB 3.24Å; K131-K134 PolarHBondContact O-N 3.02Å; K131-K134 VanDerWaalsContact O-N 3.15Å; V132-K134 VanDerWaalsContact C-N 3.35Å; V132-K134 PolarHBondContact O-N 3.05Å; K134-A137 PolarHBondContact O-N 3.3Å; K134-Q138 WeakPolarHBondContact O-CB 3.49Å; K134-Q138 PolarHBondContact O-N 3.39Å
135L94.4Very high93.5Very high42 Ų4289.7 Ų89.722%0.2244%0.438CS..Hα-helixtrans-64.1-41.9178.3-72.6173.5000112.3N90 F92 K131 V132 Q138 A139N90-L135 PolarHBondContact ND2-O 2.83Å; F92-L135 HydrophobicContact CD2-CB 4.17Å; F92-L135 HydrophobicContact CD2-CD1 4.48Å; K131-L135 HydrophobicContact CG-CD1 4.2Å; K131-L135 HydrophobicContact CG-CG 4.45Å; K131-L135 WeakPolarHBondContact O-CG 3.18Å; K131-L135 PolarHBondContact O-N 2.86Å; V132-L135 PolarHBondContact O-N 3.46Å; L135-Q138 PolarHBondContact O-N 3.08Å; L135-A139 WeakPolarHBondContact O-CB 3.4Å; L135-A139 PolarHBondContact O-N 3.46Å
136K94.6Very high93.3Very high109 Ų10989.1 Ų89.147%0.47443%0.433SS..Hα-helixtrans-63.5-45.3174.2-73.9179.9176.8-176.10111.8F92 V132 S133 Q138 A139 Q140F92-K136 HydrophobicContact CB-CG 3.85Å; F92-K136 HydrophobicContact CD1-CG 4.2Å; F92-K136 HydrophobicContact CD2-CG 4.36Å; F92-K136 HydrophobicContact CG-CG 3.87Å; V132-K136 HydrophobicContact CG1-CD 4.09Å; V132-K136 HydrophobicContact CG1-CG 4.42Å; V132-K136 WeakPolarHBondContact O-CB 3.5Å; V132-K136 WeakPolarHBondContact O-CG 3.34Å; V132-K136 PolarHBondContact O-N 2.82Å; S133-K136 PolarHBondContact O-N 3.03Å; K136-Q138 VanDerWaalsContact C-N 3.29Å; K136-Q138 PolarHBondContact O-N 3.44Å; K136-A139 PolarHBondContact O-N 3.42Å; K136-Q140 PolarHBondContact O-N 2.84Å
137A94.9Very high93.3Very high34 Ų3483.7 Ų83.728%0.28141%0.407SS..Hα-helixtrans-63.5-36.3175.600000112.2S133 K134 R141S133-A137 WeakPolarHBondContact O-CB 3.33Å; S133-A137 PolarHBondContact O-N 2.95Å; K134-A137 PolarHBondContact O-N 3.3Å; A137-R141 WeakPolarHBondContact O-CG 3.42Å; A137-R141 PolarHBondContact O-N 2.92Å; A137-R141 VanDerWaalsContact O-N 3.09Å
138Q94.4Very high93.3Very high82 Ų8284.6 Ų84.638%0.38340%0.401SS..Hα-helixtrans-67.1-44.7174.6-173.561.130.600111.6K134 L135 K136 Q140 R141 N142K134-Q138 WeakPolarHBondContact O-CB 3.49Å; K134-Q138 PolarHBondContact O-N 3.39Å; L135-Q138 PolarHBondContact O-N 3.08Å; K136-Q138 VanDerWaalsContact C-N 3.29Å; K136-Q138 PolarHBondContact O-N 3.44Å; Q138-Q140 VanDerWaalsContact C-N 3.32Å; Q138-Q140 PolarHBondContact O-N 3.01Å; Q138-R141 PolarHBondContact O-N 3.43Å; Q138-N142 PolarHBondContact NE2-OD1 3.03Å; Q138-N142 WeakPolarHBondContact O-CB 3.44Å; Q138-N142 VanDerWaalsContact O-CG 3.27Å; Q138-N142 PolarHBondContact O-N 3.26Å
139A94.1Very high93.2Very high3 Ų384.7 Ų84.73%0.02540%0.399CS..Hα-helixtrans-58.9-44.4176.300000111.7F92 L94 L135 K136 N142 A143F92-A139 WeakPolarHBondContact O-CB 3.42Å; L94-A139 HydrophobicContact CG-CB 4.26Å; L135-A139 WeakPolarHBondContact O-CB 3.4Å; L135-A139 PolarHBondContact O-N 3.46Å; K136-A139 PolarHBondContact O-N 3.42Å; A139-N142 PolarHBondContact O-N 3.47Å; A139-A143 WeakPolarHBondContact O-CB 3.49Å; A139-A143 PolarHBondContact O-N 2.92Å
140Q95.1Very high93Very high106 Ų10682.7 Ų82.750%0.49539%0.386SS..Hα-helixtrans-61.4-47.5176.2-175.5171.71.100112.2K136 Q138 N142 A143 E144K136-Q140 PolarHBondContact O-N 2.84Å; Q138-Q140 VanDerWaalsContact C-N 3.32Å; Q138-Q140 PolarHBondContact O-N 3.01Å; Q140-N142 VanDerWaalsContact C-N 3.29Å; Q140-N142 PolarHBondContact O-N 2.94Å; Q140-A143 PolarHBondContact O-N 2.77Å; Q140-E144 WeakPolarHBondContact CG-OE1 3.31Å; Q140-E144 PolarHBondContact NE2-OE1 3.3Å; Q140-E144 WeakPolarHBondContact O-CB 3.48Å; Q140-E144 VanDerWaalsContact O-CG 3.32Å; Q140-E144 WeakPolarHBondContact O-CG 3.38Å; Q140-E144 PolarHBondContact O-N 2.9Å
141R94.3Very high92.8Very high136 Ų13678.8 Ų78.851%0.51337%0.371SS..Hα-helixtrans-61.8-37.7176.3-72.6-176.5-168.4106.40.5112.5A137 Q138 K145A137-R141 WeakPolarHBondContact O-CG 3.42Å; A137-R141 PolarHBondContact O-N 2.92Å; A137-R141 VanDerWaalsContact O-N 3.09Å; Q138-R141 PolarHBondContact O-N 3.43Å; R141-K145 VanDerWaalsContact O-CG 3.28Å; R141-K145 WeakPolarHBondContact O-CG 3.47Å; R141-K145 PolarHBondContact O-N 3.23Å; R141-K145 VanDerWaalsContact O-N 3.17Å
142N92.8Very high92.9Very high63 Ų6379.5 Ų79.534%0.33737%0.374SS..Hα-helixtrans-66.6-50.1177.7-74-5.3000110.3Q138 A139 Q140 E144 K145 Q146Q138-N142 PolarHBondContact NE2-OD1 3.03Å; Q138-N142 WeakPolarHBondContact O-CB 3.44Å; Q138-N142 VanDerWaalsContact O-CG 3.27Å; Q138-N142 PolarHBondContact O-N 3.26Å; A139-N142 PolarHBondContact O-N 3.47Å; Q140-N142 VanDerWaalsContact C-N 3.29Å; Q140-N142 PolarHBondContact O-N 2.94Å; N142-E144 PolarHBondContact O-N 2.73Å; N142-K145 WeakPolarHBondContact O-CB 3.35Å; N142-K145 PolarHBondContact O-N 2.81Å; N142-K145 VanDerWaalsContact O-N 3.14Å; N142-Q146 WeakPolarHBondContact O-CG 3.43Å; N142-Q146 PolarHBondContact O-N 2.88Å
143A92.2Very high92.6Very high2 Ų286.1 Ų86.12%0.01740%0.398CS..Hα-helixtrans-60.3-43.6177.600000112.4L94 L98 A139 Q140 K145 Q146 I147L94-A143 HydrophobicContact CB-CB 3.83Å; L98-A143 HydrophobicContact CD2-CB 4.06Å; A139-A143 WeakPolarHBondContact O-CB 3.49Å; A139-A143 PolarHBondContact O-N 2.92Å; Q140-A143 PolarHBondContact O-N 2.77Å; A143-K145 VanDerWaalsContact C-N 3.28Å; A143-K145 PolarHBondContact O-N 2.99Å; A143-Q146 PolarHBondContact O-N 3.29Å; A143-Q146 VanDerWaalsContact O-N 3.1Å; A143-I147 WeakPolarHBondContact O-CB 3.42Å; A143-I147 VanDerWaalsContact O-CG1 3.3Å; A143-I147 WeakPolarHBondContact O-CG1 3.4Å; A143-I147 PolarHBondContact O-N 2.86Å
144E93.3Very high92.2Very high76 Ų7688.2 Ų88.236%0.35540%0.399SS..Hα-helixtrans-58.9-38.6175.3-75.8175.8-163.800112.5Q140 N142 R148Q140-E144 WeakPolarHBondContact CG-OE1 3.31Å; Q140-E144 PolarHBondContact NE2-OE1 3.3Å; Q140-E144 WeakPolarHBondContact O-CB 3.48Å; Q140-E144 VanDerWaalsContact O-CG 3.32Å; Q140-E144 WeakPolarHBondContact O-CG 3.38Å; Q140-E144 PolarHBondContact O-N 2.9Å; N142-E144 PolarHBondContact O-N 2.73Å; E144-R148 WeakPolarHBondContact O-CB 3.34Å; E144-R148 VanDerWaalsContact O-CG 3.24Å; E144-R148 WeakPolarHBondContact O-CG 3.49Å; E144-R148 PolarHBondContact O-N 3Å; E144-R148 VanDerWaalsContact O-N 3.09Å
145K92.5Very high92.1Very high131 Ų13185.8 Ų85.857%0.5739%0.394SS*.Hα-helixtrans-66.1-44174.7-73.8171.9-177.6179.70111.3R141 N142 A143 R148 E149R141-K145 VanDerWaalsContact O-CG 3.28Å; R141-K145 WeakPolarHBondContact O-CG 3.47Å; R141-K145 PolarHBondContact O-N 3.23Å; R141-K145 VanDerWaalsContact O-N 3.17Å; N142-K145 WeakPolarHBondContact O-CB 3.35Å; N142-K145 PolarHBondContact O-N 2.81Å; N142-K145 VanDerWaalsContact O-N 3.14Å; A143-K145 VanDerWaalsContact C-N 3.28Å; A143-K145 PolarHBondContact O-N 2.99Å; K145-R148 PolarHBondContact O-N 2.95Å; K145-E149 PolarHBondContact O-N 3.45Å
146Q89.5Confident92Very high66 Ų6691.1 Ų91.131%0.30842%0.416SS..Hα-helixtrans-64.6-46.1179.7-62.8-54.5-12.700111.8C61 N142 A143 R148 E149 C150C61-Q146 PolarHBondContact SG-NE2 3.3Å; C61-Q146 VanDerWaalsContact SG-NE2 3.43Å; N142-Q146 WeakPolarHBondContact O-CG 3.43Å; N142-Q146 PolarHBondContact O-N 2.88Å; A143-Q146 PolarHBondContact O-N 3.29Å; A143-Q146 VanDerWaalsContact O-N 3.1Å; Q146-R148 PolarHBondContact O-N 3.29Å; Q146-E149 PolarHBondContact O-N 2.94Å; Q146-E149 VanDerWaalsContact O-N 3.11Å; Q146-C150 WeakPolarHBondContact O-CB 3.15Å; Q146-C150 PolarHBondContact O-N 3.33Å
147I92.2Very high91.8Very high43 Ų4390.9 Ų90.922%0.22142%0.416CS..Hα-helixtrans-59.1-47.6177-67.4165.8000110.2N96 L98 A143 E149 C150 E151N96-I147 HydrophobicContact CB-CG1 4.42Å; L98-I147 HydrophobicContact CD2-CD1 3.86Å; L98-I147 HydrophobicContact CG-CD1 4.42Å; A143-I147 WeakPolarHBondContact O-CB 3.42Å; A143-I147 VanDerWaalsContact O-CG1 3.3Å; A143-I147 WeakPolarHBondContact O-CG1 3.4Å; A143-I147 PolarHBondContact O-N 2.86Å; I147-E149 VanDerWaalsContact C-N 3.28Å; I147-E149 PolarHBondContact O-N 3.09Å; I147-C150 WeakPolarHBondContact O-CB 3.39Å; I147-C150 PolarHBondContact O-N 2.95Å; I147-C150 VanDerWaalsContact O-N 3.13Å; I147-E151 HydrophobicContact CG2-CG 4.34Å; I147-E151 WeakPolarHBondContact O-CG 3.49Å; I147-E151 PolarHBondContact O-N 3.41Å
148R92.8Very high91.6Very high149 Ų14994.1 Ų94.156%0.56243%0.426SS*.Hα-helixtrans-59.8-36.8176-76177.9-167.6173.19.7113E144 K145 Q146 K152E144-R148 WeakPolarHBondContact O-CB 3.34Å; E144-R148 VanDerWaalsContact O-CG 3.24Å; E144-R148 WeakPolarHBondContact O-CG 3.49Å; E144-R148 PolarHBondContact O-N 3Å; E144-R148 VanDerWaalsContact O-N 3.09Å; K145-R148 PolarHBondContact O-N 2.95Å; Q146-R148 PolarHBondContact O-N 3.29Å; R148-K152 WeakPolarHBondContact O-CB 3.27Å; R148-K152 VanDerWaalsContact O-CG 3.22Å; R148-K152 WeakPolarHBondContact O-CG 3.2Å; R148-K152 PolarHBondContact O-N 3.46Å
149E89.2Confident91.5Very high96 Ų9696.2 Ų96.245%0.44944%0.435SS..Hα-helixtrans-71.2-38.4176.8-162.2-177.514200111.6K145 Q146 I147 K152 R153K145-E149 PolarHBondContact O-N 3.45Å; Q146-E149 PolarHBondContact O-N 2.94Å; Q146-E149 VanDerWaalsContact O-N 3.11Å; I147-E149 VanDerWaalsContact C-N 3.28Å; I147-E149 PolarHBondContact O-N 3.09Å; E149-K152 PolarHBondContact O-N 3.48Å; E149-R153 WeakPolarHBondContact O-CB 3.47Å; E149-R153 PolarHBondContact O-N 2.67Å; E149-R153 IonicContact OE1-CZ 3.42Å; E149-R153 IonicContact OE1-NH1 2.9Å; E149-R153 IonicContact OE1-NH2 3.27Å; E149-R153 PolarHBondContact OE1-NH2 3.34Å
150C87.7Confident91.5Very high35 Ų35100.6 Ų100.624%0.23646%0.455CS..Hα-helixtrans-62.6-48.3174.5-163.20000111.2Q146 I147 K152 R153 Q154Q146-C150 WeakPolarHBondContact O-CB 3.15Å; Q146-C150 PolarHBondContact O-N 3.33Å; I147-C150 WeakPolarHBondContact O-CB 3.39Å; I147-C150 PolarHBondContact O-N 2.95Å; I147-C150 VanDerWaalsContact O-N 3.13Å; C150-K152 PolarHBondContact O-N 3.42Å; C150-R153 WeakPolarHBondContact O-CB 3.13Å; C150-R153 PolarHBondContact O-N 3.43Å; C150-R153 VanDerWaalsContact O-N 3.15Å; C150-Q154 WeakPolarHBondContact O-CG 3.43Å; C150-Q154 PolarHBondContact O-N 3.13Å
151E90.4Very high91.2Very high103 Ų10399.8 Ų99.848%0.48145%0.452SS..Hα-helixtrans-57.2-48.5174.4-72.9174.6167.600111.6I147 R153 Q154 D155I147-E151 HydrophobicContact CG2-CG 4.34Å; I147-E151 WeakPolarHBondContact O-CG 3.49Å; I147-E151 PolarHBondContact O-N 3.41Å; E151-R153 VanDerWaalsContact C-N 3.27Å; E151-R153 PolarHBondContact O-N 3.17Å; E151-Q154 WeakPolarHBondContact O-CB 3.39Å; E151-Q154 PolarHBondContact O-N 3.46Å; E151-Q154 VanDerWaalsContact O-N 3.13Å; E151-D155 WeakPolarHBondContact O-CB 3.33Å; E151-D155 PolarHBondContact O-N 3.47Å
152K92.3Very high91Very high149 Ų14997.1 Ų97.165%0.64845%0.448SS*.Hα-helixtrans-58.1-39.1176.4-78.2173.3-177.7179.80112.8R148 E149 C150 K156R148-K152 WeakPolarHBondContact O-CB 3.27Å; R148-K152 VanDerWaalsContact O-CG 3.22Å; R148-K152 WeakPolarHBondContact O-CG 3.2Å; R148-K152 PolarHBondContact O-N 3.46Å; E149-K152 PolarHBondContact O-N 3.48Å; C150-K152 PolarHBondContact O-N 3.42Å; K152-K156 WeakPolarHBondContact O-CB 2.97Å; K152-K156 PolarHBondContact O-N 3.23Å
153R87.3Confident90.9Very high143 Ų14399.8 Ų99.854%0.5446%0.459SS..Hα-helixtrans-69.2-40178.9-165.6-178.5-84.195.2-2.4110.4E149 C150 E151 H157E149-R153 WeakPolarHBondContact O-CB 3.47Å; E149-R153 PolarHBondContact O-N 2.67Å; E149-R153 IonicContact OE1-CZ 3.42Å; E149-R153 IonicContact OE1-NH1 2.9Å; E149-R153 IonicContact OE1-NH2 3.27Å; E149-R153 PolarHBondContact OE1-NH2 3.34Å; C150-R153 WeakPolarHBondContact O-CB 3.13Å; C150-R153 PolarHBondContact O-N 3.43Å; C150-R153 VanDerWaalsContact O-N 3.15Å; E151-R153 VanDerWaalsContact C-N 3.27Å; E151-R153 PolarHBondContact O-N 3.17Å; R153-H157 WeakPolarHBondContact O-CB 3.24Å; R153-H157 PolarHBondContact O-N 2.92Å; R153-H157 VanDerWaalsContact O-N 3.08Å
154Q88.1Confident90.8Very high122 Ų122102.8 Ų102.857%0.5747%0.474SS*.Hα-helixtrans-64.6-46.5173.6-69.4177.618.400112C150 E151 K156 H157 Q158C150-Q154 WeakPolarHBondContact O-CG 3.43Å; C150-Q154 PolarHBondContact O-N 3.13Å; E151-Q154 WeakPolarHBondContact O-CB 3.39Å; E151-Q154 PolarHBondContact O-N 3.46Å; E151-Q154 VanDerWaalsContact O-N 3.13Å; Q154-K156 VanDerWaalsContact C-N 3.34Å; Q154-K156 PolarHBondContact O-N 3.33Å; Q154-H157 PolarHBondContact O-N 3.01Å; Q154-Q158 WeakPolarHBondContact O-CB 3.47Å; Q154-Q158 PolarHBondContact O-N 3.1Å
155D92.7Very high90.6Very high111 Ų111105.3 Ų105.359%0.59448%0.481SS*.Hα-helixtrans-60.9-42177.5-77.9-19.4000112E151 Q158 H159E151-D155 WeakPolarHBondContact O-CB 3.33Å; E151-D155 PolarHBondContact O-N 3.47Å; D155-Q158 PolarHBondContact O-N 3.47Å; D155-H159 WeakPolarHBondContact O-CB 3.45Å; D155-H159 PolarHBondContact O-N 3.44Å
156K92.4Very high90.2Very high154 Ų154103.9 Ų103.967%0.6748%0.478SS*.Hα-helixtrans-61.6-45.7175.8-174.8-179.2177.7-174.50111.1K152 Q154 H159 E160K152-K156 WeakPolarHBondContact O-CB 2.97Å; K152-K156 PolarHBondContact O-N 3.23Å; Q154-K156 VanDerWaalsContact C-N 3.34Å; Q154-K156 PolarHBondContact O-N 3.33Å; K156-H159 PolarHBondContact O-N 3.37Å; K156-E160 WeakPolarHBondContact O-CB 3.11Å; K156-E160 PolarHBondContact O-N 3.11Å
157H89.1Confident90Very high105 Ų105108.2 Ų108.249%0.48650%0.496SS..Hα-helixtrans-63.5-44.4176.9-177.371.5000111.8R153 Q154 H159 E160 M161R153-H157 WeakPolarHBondContact O-CB 3.24Å; R153-H157 PolarHBondContact O-N 2.92Å; R153-H157 VanDerWaalsContact O-N 3.08Å; Q154-H157 PolarHBondContact O-N 3.01Å; H157-H159 PolarHBondContact O-N 3.27Å; H157-E160 PolarHBondContact O-N 3.35Å; H157-M161 WeakPolarHBondContact CE1-CE 3.02Å; H157-M161 WeakPolarHBondContact O-CB 3.37Å; H157-M161 WeakPolarHBondContact O-CG 3.45Å; H157-M161 PolarHBondContact O-N 2.95Å
158Q91.1Very high89.4Confident102 Ų102113.1 Ų113.148%0.47752%0.518SS..Hα-helixtrans-64.7-40.1177.5-173.461.853.500111.6Q154 D155 M161 N162Q154-Q158 WeakPolarHBondContact O-CB 3.47Å; Q154-Q158 PolarHBondContact O-N 3.1Å; D155-Q158 PolarHBondContact O-N 3.47Å; Q158-M161 PolarHBondContact O-N 3.29Å; Q158-N162 PolarHBondContact NE2-OD1 2.83Å; Q158-N162 VanDerWaalsContact O-CB 3.26Å; Q158-N162 WeakPolarHBondContact O-CB 3.42Å; Q158-N162 PolarHBondContact O-N 3.07Å; Q158-N162 PolarHBondContact O-ND2 3.47Å
159H93.4Very high88.8Confident126 Ų126112.9 Ų112.958%0.58352%0.521SS*.Hα-helixtrans-62.6-44.3174.6-176.877.9000111.4D155 K156 H157 N162 Q163D155-H159 WeakPolarHBondContact O-CB 3.45Å; D155-H159 PolarHBondContact O-N 3.44Å; K156-H159 PolarHBondContact O-N 3.37Å; H157-H159 PolarHBondContact O-N 3.27Å; H159-N162 PolarHBondContact O-N 3.2Å; H159-Q163 VanDerWaalsContact O-CB 3.25Å; H159-Q163 WeakPolarHBondContact O-CB 3.44Å; H159-Q163 PolarHBondContact O-N 3.38Å
160E92.9Very high87.6Confident94 Ų94115 Ų11544%0.43954%0.535SS..Hα-helixtrans-62.8-43.8175.8-174.2174.1-177.600111.7K156 H157 Q163 N164K156-E160 WeakPolarHBondContact O-CB 3.11Å; K156-E160 PolarHBondContact O-N 3.11Å; H157-E160 PolarHBondContact O-N 3.35Å; E160-Q163 PolarHBondContact O-N 3.25Å; E160-N164 WeakPolarHBondContact O-CB 3.32Å; E160-N164 VanDerWaalsContact O-CG 3.31Å; E160-N164 PolarHBondContact O-N 3.32Å; E160-N164 PolarHBondContact O-ND2 3.15Å
161M89Confident86Confident90 Ų90115.6 Ų115.644%0.44355%0.547SS..Hα-helixtrans-62.4-44.1174.5-72.1-60.5159.700112H157 Q158 N164 Y165H157-M161 WeakPolarHBondContact CE1-CE 3.02Å; H157-M161 WeakPolarHBondContact O-CB 3.37Å; H157-M161 WeakPolarHBondContact O-CG 3.45Å; H157-M161 PolarHBondContact O-N 2.95Å; Q158-M161 PolarHBondContact O-N 3.29Å; M161-N164 PolarHBondContact O-N 3.2Å; M161-Y165 VanDerWaalsContact O-CB 3.28Å; M161-Y165 WeakPolarHBondContact O-CB 3.32Å; M161-Y165 PolarHBondContact O-N 3.29Å
162N91.3Very high84.2Confident79 Ų79116.3 Ų116.342%0.42256%0.563SS.*Hα-helixtrans-65.5-38.9176.5-72.1-13.9000111.6Q158 H159 Y165 M166Q158-N162 PolarHBondContact NE2-OD1 2.83Å; Q158-N162 VanDerWaalsContact O-CB 3.26Å; Q158-N162 WeakPolarHBondContact O-CB 3.42Å; Q158-N162 PolarHBondContact O-N 3.07Å; Q158-N162 PolarHBondContact O-ND2 3.47Å; H159-N162 PolarHBondContact O-N 3.2Å; N162-Y165 PolarHBondContact O-N 2.77Å; N162-M166 WeakPolarHBondContact O-CB 3.5Å; N162-M166 VanDerWaalsContact O-CG 3.23Å; N162-M166 WeakPolarHBondContact O-CG 3.3Å; N162-M166 PolarHBondContact O-N 3.23Å
163Q90.6Very high82.2Confident120 Ų120114.9 Ų114.956%0.56157%0.566SS**Hα-helixtrans-64.5-46176.3-174.4-175.836.800110.9H159 E160 M166 K167H159-Q163 VanDerWaalsContact O-CB 3.25Å; H159-Q163 WeakPolarHBondContact O-CB 3.44Å; H159-Q163 PolarHBondContact O-N 3.38Å; E160-Q163 PolarHBondContact O-N 3.25Å; Q163-M166 PolarHBondContact O-N 3.35Å; Q163-K167 VanDerWaalsContact O-CB 3.27Å; Q163-K167 WeakPolarHBondContact O-CB 3.26Å; Q163-K167 PolarHBondContact O-N 3.39Å
164N88.9Confident80.3Confident65 Ų65115.8 Ų115.835%0.34858%0.582SS.*Hα-helixtrans-63.7-44.6176.1-73.1-19.9000111.3E160 M161 M166 K167 E168E160-N164 WeakPolarHBondContact O-CB 3.32Å; E160-N164 VanDerWaalsContact O-CG 3.31Å; E160-N164 PolarHBondContact O-N 3.32Å; E160-N164 PolarHBondContact O-ND2 3.15Å; M161-N164 PolarHBondContact O-N 3.2Å; N164-M166 PolarHBondContact O-N 2.98Å; N164-K167 WeakPolarHBondContact O-CB 3.38Å; N164-K167 PolarHBondContact O-N 3.02Å; N164-E168 WeakPolarHBondContact O-CG 3.3Å; N164-E168 PolarHBondContact O-N 3.18Å
165Y89.6Confident78.2Confident128 Ų128114.4 Ų114.450%0.50259%0.586SS.*Hα-helixtrans-60.6-44.4175.5176.2-106.6000112.4M161 N162 E168 K169M161-Y165 VanDerWaalsContact O-CB 3.28Å; M161-Y165 WeakPolarHBondContact O-CB 3.32Å; M161-Y165 PolarHBondContact O-N 3.29Å; N162-Y165 PolarHBondContact O-N 2.77Å; Y165-E168 PolarHBondContact O-N 2.95Å; Y165-K169 HydrophobicContact CE1-CD 4.14Å; Y165-K169 VanDerWaalsContact O-CB 3.22Å; Y165-K169 WeakPolarHBondContact O-CB 3.33Å; Y165-K169 PolarHBondContact O-N 3.12Å
166M83.9Confident76.2Confident101 Ų101114.7 Ų114.750%0.49860%0.596SS.*Hα-helixtrans-65.6-38.7175.1-71.7-63.7-174.800111.6N162 Q163 N164 K169 L170N162-M166 WeakPolarHBondContact O-CB 3.5Å; N162-M166 VanDerWaalsContact O-CG 3.23Å; N162-M166 WeakPolarHBondContact O-CG 3.3Å; N162-M166 PolarHBondContact O-N 3.23Å; Q163-M166 PolarHBondContact O-N 3.35Å; N164-M166 PolarHBondContact O-N 2.98Å; M166-K169 PolarHBondContact O-N 2.76Å; M166-L170 HydrophobicContact CB-CD1 4.27Å; M166-L170 VanDerWaalsContact O-CB 3.32Å; M166-L170 WeakPolarHBondContact O-CB 3.5Å; M166-L170 WeakPolarHBondContact O-CD1 3.44Å; M166-L170 PolarHBondContact O-N 2.98Å
167K85.1Confident73.8Confident157 Ų157118.8 Ų118.868%0.68361%0.608SS**Hα-helixtrans-63.3-41175.7-175.1-179.4178-175.40112.1Q163 N164 G171Q163-K167 VanDerWaalsContact O-CB 3.27Å; Q163-K167 WeakPolarHBondContact O-CB 3.26Å; Q163-K167 PolarHBondContact O-N 3.39Å; N164-K167 WeakPolarHBondContact O-CB 3.38Å; N164-K167 PolarHBondContact O-N 3.02Å; K167-G171 WeakPolarHBondContact O-CA 3.28Å; K167-G171 PolarHBondContact O-N 3.08Å; K167-G171 VanDerWaalsContact O-N 3.13Å
168E78.9Confident71.4Confident146 Ų146117 Ų11768%0.68262%0.618SS**Hα-helixtrans-66.9-42.5173.4-72.8-177.4170.300111.4N164 Y165 G171N164-E168 WeakPolarHBondContact O-CG 3.3Å; N164-E168 PolarHBondContact O-N 3.18Å; Y165-E168 PolarHBondContact O-N 2.95Å; E168-G171 CarbonylContact O-C 3.57Å; E168-G171 PolarHBondContact O-N 3.01Å; E168-G171 VanDerWaalsContact O-N 3.16Å
169K80.4Confident69.2Low145 Ų145118.4 Ų118.463%0.6363%0.634SS**Hα-helixtrans-68.3-35.2179.3-169.8171.7-178.21760113.5Y165 M166 G171Y165-K169 HydrophobicContact CE1-CD 4.14Å; Y165-K169 VanDerWaalsContact O-CB 3.22Å; Y165-K169 WeakPolarHBondContact O-CB 3.33Å; Y165-K169 PolarHBondContact O-N 3.12Å; M166-K169 PolarHBondContact O-N 2.76Å; K169-G171 VanDerWaalsContact C-N 3.3Å
170L64.1Low66.8Low140 Ų140121.5 Ų121.573%0.73365%0.648SS**THydrogen-bonded Turntrans-85.10.6173.4-82.5116.7000113M166M166-L170 HydrophobicContact CB-CD1 4.27Å; M166-L170 VanDerWaalsContact O-CB 3.32Å; M166-L170 WeakPolarHBondContact O-CB 3.5Å; M166-L170 WeakPolarHBondContact O-CD1 3.44Å; M166-L170 PolarHBondContact O-N 2.98Å
171G53.9Low64.7Low48 Ų48122.4 Ų122.450%0.49567%0.665SS.*  trans-138.430.2-162.800000117K167 E168 K169 V173K167-G171 WeakPolarHBondContact O-CA 3.28Å; K167-G171 PolarHBondContact O-N 3.08Å; K167-G171 VanDerWaalsContact O-N 3.13Å; E168-G171 CarbonylContact O-C 3.57Å; E168-G171 PolarHBondContact O-N 3.01Å; E168-G171 VanDerWaalsContact O-N 3.16Å; K169-G171 VanDerWaalsContact C-N 3.3Å; G171-V173 PolarHBondContact O-N 3.42Å
172S52.7Low62.5Low117 Ų117129.9 Ų129.982%0.81869%0.688SS**  trans-88.152.7151.9-179.10000110.5
173V51.1Low60.1Low119 Ų119129.6 Ų129.672%0.72170%0.704SS**  trans-148.781.7166.2-116.20000107.3G171G171-V173 PolarHBondContact O-N 3.42Å
174N47.4Very low57.8Low162 Ų162133.2 Ų133.287%0.86672%0.718SS**  trans-159.687.7144-94.8-8.9000109.9
175S43.1Very low55.5Low94 Ų94136.4 Ų136.466%0.65774%0.739SS**  46.2108.3128.2-162.30000118.5R177S175-R177 PolarHBondContact O-N 2.96Å
176S50.6Low53.3Low116 Ų116135.6 Ų135.681%0.81175%0.752SS**  trans-26.7110.7140.952.70000113.8
177R43Very low51.3Low240 Ų240136.5 Ų136.591%0.90677%0.768SS**  trans-147.294.9154.6-124.7176.8161.2128.2-2111.4S175S175-R177 PolarHBondContact O-N 2.96Å
178G37.9Very low49.1Very low69 Ų69136.4 Ų136.471%0.71178%0.775SS**  trans67.7102.1130.700000117.7H180G178-H180 PolarHBondContact O-N 3.19Å
179T45.3Very low47.2Very low130 Ų130139.1 Ų139.180%0.79879%0.785SS**  trans-38.5126.9148.349.50000113.1
180H43Very low45.1Very low191 Ų191138.1 Ų138.188%0.88479%0.791SS**  trans-150.3107.1139.7-80.5-56.5000110.4G178G178-H180 PolarHBondContact O-N 3.19Å
181S49.2Very low43.8Very low113 Ų113136 Ų13679%0.7979%0.787SS**  trans-64.9126.4159.957.60000110.2
182R42.3Very low42.8Very low248 Ų248140.6 Ų140.694%0.93680%0.801SS**  trans-150.3108146.1-84.7-163.9142.7106.6-3.9109
183G41.7Very low41.9Very low73 Ų73141.7 Ų141.775%0.75380%0.803SS**  trans-76.1146161.200000110.6
184K41.4Very low41.4Very low195 Ų195141.7 Ų141.785%0.84880%0.803SS**  trans179.5120.3133-106.5179.1-177.5-178.20112.3
185V40.8Very low41.1Very low133 Ų133141.1 Ų141.181%0.80681%0.806SS**  trans55.9138.9141.4-56.50000123
186S43.3Very low40.7Very low111 Ų111140.7 Ų140.778%0.77680%0.803SS**  trans-54.9146.7166.450.60000115.4
187S41.8Very low39.9Very low119 Ų119144.3 Ų144.383%0.83280%0.804SS**  trans-142114.1142.761.70000110.6
188L39.5Very low40Very low155 Ų155138.3 Ų138.381%0.81280%0.799SS**  trans-61.1136.1155.9-66.4158000108.7
189F38.8Very low40.5Very low204 Ų204143.7 Ų143.790%0.89580%0.803SS**  -172.4130.7127.7-86.7-64000110.4
190T37.1Very low40.1Very low124 Ų124145.2 Ų145.276%0.76181%0.806SS**  trans-49.5160.8163.541.70000113.1
191S36.3Very low39.9Very low94 Ų94143.4 Ų143.466%0.65780%0.802SS**  cis-178.1160.815290000109.5
192N32.1Very low39.6Very low146 Ų146147.5 Ų147.578%0.78181%0.806SS**  trans65.3119.9151.4-64.4-5.9000120.3
193T34.3Very low39.3Very low139 Ų139141.6 Ų141.685%0.85379%0.793SS**  -170.6128.2110.539.50000111.9
194T39.7Very low39.5Very low120 Ų120144.5 Ų144.574%0.73680%0.796SS**  trans-17.5141.915756.70000118.7
195T40.9Very low39.1Very low150 Ų150143.8 Ų143.892%0.9279%0.793SS**  -176.5156.9112.735.50000111.5
196S36.6Very low39.2Very low85 Ų85147 Ų14759%0.59480%0.796SS**  trans-118.4161.5-167.4-169.80000110.8
197F33.7Very low38.9Very low192 Ų192149.6 Ų149.684%0.84280%0.8SS**  trans70.2142.1167.2-55.4-71.3000116
198S45Very low38.5Very low113 Ų113154 Ų15479%0.7980%0.804SS**  cis-159.315546.456.10000115.2
199K48.3Very low38.3Very low182 Ų182151.4 Ų151.479%0.79181%0.806SS**  trans-35.6145.6161.3-59.4165.3179.2175.80114.6
200N36.9Very low38.1Very low162 Ų162151 Ų15187%0.86680%0.804SS**  -161.8112.9126.9-96.9-21.7000112.9
201L37.3Very low37.8Very low153 Ų153153.5 Ų153.580%0.80180%0.804SS**  trans-54.7142.5152.1-136.487.6000109.9
202K42.8Very low37.4Very low199 Ų199154.7 Ų154.787%0.86581%0.808SS**  trans-176.9115.8134.1-97.8160-167.5-174.30112.1
203D36.5Very low37.3Very low125 Ų125152.7 Ų152.767%0.66881%0.811SS**  trans-40.1141.9154.5-80.4-56.6000113.7
204T46.7Very low37Very low133 Ų133149.7 Ų149.782%0.81681%0.808SS**  trans-146101.4139.438.80000110.3
205F31.9Very low36.4Very low181 Ų181152.1 Ų152.179%0.79482%0.816SS**  trans-57.1133.8157-85.2-98.6000110.3
206K44.2Very low35.8Very low200 Ų200149.4 Ų149.487%0.8781%0.809SS**  trans-136.8103.6156.3-74.3-163.7179-179.30111.4
207L37.2Very low35.4Very low165 Ų165148.4 Ų148.486%0.86481%0.813SS**  trans-59.9134.5155.9-78.8145.2000110.4
208K33.2Very low35.3Very low211 Ų211146.3 Ų146.392%0.91781%0.81SS**  trans-142.9111.7150-93.3-162.9175.7-177.40110.1
209A33.9Very low34.7Very low102 Ų102148.4 Ų148.484%0.84381%0.807SS**  trans-88.3146.2156.200000109.2
210K35.1Very low33.6Very low195 Ų195147.5 Ų147.585%0.84881%0.806SS**  trans159.4102.6132.7-170.1167.5-177.8177.10112.7
211K31.8Very low33.2Very low176 Ų176146.9 Ų146.977%0.76581%0.808SS**  52.9132.8118-158.2172.2174.7173.20121.5
212T27.6Very low32.9Very low120 Ų120148.6 Ų148.674%0.73681%0.812SS**  trans103.6129138.127.90000123.5
213A29.5Very low32.3Very low104 Ų104145 Ų14586%0.8681%0.812SS**  trans75.5129.4155.100000116.8
214G27.3Very low31.9Very low75 Ų75147.1 Ų147.177%0.77382%0.823SS**  cis145.5127.76.100000107.2
215N28.2Very low31Very low171 Ų171144.1 Ų144.191%0.91482%0.819SS**  trans-165.3149.9150.1-152.424.9000111.8
216A28.8Very low30.9Very low93 Ų93144 Ų14477%0.76982%0.821SS**  trans-84.8166.1-16000000116.2
217G28Very low30.1Very low65 Ų65142 Ų14267%0.6782%0.815SS**  140.2111.8127.500000118
218N30.9Very low29.6Very low148 Ų148141.3 Ų141.379%0.79181%0.811SS**  trans92.3103.9145.7-60.4-2.6000117.9
219Q31.7Very low29.4Very low156 Ų156136.4 Ų136.473%0.72980%0.804SS**  80.599.584.1-83-176-1.100111.2
220E26Very low29.3Very low164 Ų164141.2 Ų141.277%0.76681%0.806SS**  98.3115.190.6-90.5-175.5-169.200110.8
221T29.5Very low29.1Very low149 Ų149138.5 Ų138.591%0.91480%0.801SS**  -174.5148.3122.822.40000112.2
222Q29.3Very low29.1Very low189 Ų189141.9 Ų141.988%0.88381%0.809SS**  trans-66.9151.7-167.7-65.1157.1-1000115.5
223S30.1Very low29.4Very low123 Ų123146.3 Ų146.386%0.8681%0.812SS**  -158.6132128.761.60000112
224N28.8Very low29.7Very low169 Ų169147 Ų14790%0.90481%0.806SS**  trans-68145.2-179.6-88.3-24.8000114.7
225G27Very low30.2Very low70 Ų70149.9 Ų149.972%0.72281%0.808SS**  trans40123.813300000122.4
226Q29.9Very low30.4Very low179 Ų179147.6 Ų147.684%0.83680%0.8SS**  -173.5127.196.3-110.7177-49.400112.7
227E27.8Very low30.5Very low159 Ų159151.2 Ų151.274%0.74380%0.803SS**  trans44.9115.6139.2-68.5177173.100123.2
228D27Very low30.9Very low149 Ų149156.5 Ų156.580%0.79781%0.81SS**  76.5123.2124.3-80.5-17.3000124.3
229S28.2Very low31.2Very low108 Ų108156.4 Ų156.476%0.75581%0.809SS**  trans102.8108.5132.265.30000120.6
230K33.2Very low31.2Very low203 Ų203158.5 Ų158.588%0.88382%0.816SS**  trans6992.8148.1-72.7177.5177.1170.40118.7
231D30.1Very low31.5Very low139 Ų139158 Ų15874%0.74382%0.819SS**  trans-123.6102.1151.8-114.7-8.7000110.1R233D231-R233 PolarHBondContact O-N 3.41Å; D231-R233 IonicContact OD2-NH1 3.85Å
232R32.9Very low32.2Very low247 Ų247159.9 Ų159.993%0.93282%0.817SS**  trans-81.389.9164.4-91.9-179.9165.1170.9-5.6107.5
233R33Very low32.6Very low213 Ų213159.2 Ų159.280%0.80481%0.811SS**  trans-100.495.2158.3-88.4-176.1172.2119.3-6.1108.5D231D231-R233 PolarHBondContact O-N 3.41Å; D231-R233 IonicContact OD2-NH1 3.85Å
234T35.8Very low33.1Very low119 Ų119161.4 Ų161.473%0.7381%0.813SS**  trans-100.996.3163.948.90000108.7V236T234-V236 PolarHBondContact O-N 2.64Å
235T37.7Very low33.7Very low135 Ų135161.7 Ų161.783%0.82881%0.809SS**  trans-61.2108.5151.4-56.70000107.3
236V31.8Very low34.3Very low122 Ų122165.8 Ų165.874%0.73981%0.814SS**  trans-12998.3166.8-1800000107.7T234T234-V236 PolarHBondContact O-N 2.64Å
237M32.5Very low34.7Very low169 Ų169166.1 Ų166.183%0.83382%0.816SS**  trans-114.2106.8160.6-165.7165.4-179.200103.7
238H35.5Very low35.3Very low176 Ų176166.4 Ų166.482%0.81582%0.821SS**  trans170.588.8162.2-92.9-64.8000105.9
239L36.6Very low35.9Very low147 Ų147165.9 Ų165.977%0.7782%0.818SS**  59.894.780-118.177.7000113.5
240F32.3Very low36.4Very low199 Ų199167.1 Ų167.187%0.87382%0.816SS**  trans27.6111.3144.4-66.4-88.3000118.4
241D32.6Very low36.4Very low155 Ų155165.1 Ų165.183%0.82982%0.815SS**  trans-104.1113.9162.2-1563.6000107.8K243D241-K243 PolarHBondContact O-N 3.3Å
242E45.2Very low36.8Very low187 Ų187166.4 Ų166.487%0.87482%0.821SS**  trans-87.884.7179.4-77.8-178.2154.100110.4
243K36.4Very low37Very low176 Ų176165.2 Ų165.277%0.76582%0.817SS**  trans-152.188.2164-86-175.6179165.10108.6D241D241-K243 PolarHBondContact O-N 3.3Å
244D40.7Very low37.3Very low168 Ų168163.8 Ų163.890%0.89882%0.819SS**SBendtrans-168.316.6159.7-88-26000113.7
245E42.4Very low37.2Very low176 Ų176165 Ų16582%0.82282%0.82SS**  trans-105.11.1-176.9-66.5-153165.700116.2E247E245-E247 PolarHBondContact O-N 2.85Å
246D37.8Very low36.9Very low155 Ų155166 Ų16683%0.82982%0.82SS**THydrogen-bonded Turntrans-87.54.9-173.6-74.8-36.3000115.5
247E40.3Very low36.8Very low187 Ų187169.2 Ų169.287%0.87482%0.824SS**THydrogen-bonded Turntrans-104.60.2-174.5-127.5173.3-166.300115.4E245E245-E247 PolarHBondContact O-N 2.85Å
248L40.1Very low36.7Very low164 Ų164166.6 Ų166.686%0.85982%0.823SS**SBendtrans-108.93.2-177.7-72.1174000115.4
249L39.5Very low36.6Very low139 Ų139165.3 Ų165.373%0.72882%0.822SS**SBendtrans-104.71.2-173.4-83.4168.8000116
250N37.3Very low36.6Very low133 Ų133165.8 Ų165.871%0.71183%0.825SS**SBendtrans-91.3-10.8-178.3-83.5-21.8000115.3
251D34.7Very low36.6Very low162 Ų162164.1 Ų164.187%0.86683%0.826SS**THydrogen-bonded Turntrans-967.5-171.1-95.93.6000116.1
252L37.7Very low37.2Very low166 Ų166161.6 Ų161.687%0.86982%0.82SS**THydrogen-bonded Turntrans-115.214179.6-77.8170.4000114.6E254L252-E254 PolarHBondContact O-N 3.26Å
253R36.5Very low37.6Very low221 Ų221162.2 Ų162.283%0.83482%0.823SS**  trans-89.912-174-102.4-174.1-176.7-176.33.4116.9
254E39.2Very low38.4Very low183 Ų183160.8 Ų160.886%0.85582%0.823SS**  trans-129.479.9175.8-70.2-156.7174.400113.4L252L252-E254 PolarHBondContact O-N 3.26Å
255I34.3Very low39Very low146 Ų146156.3 Ų156.375%0.74981%0.805SS**  trans-141.8106147.3-55.2-176.4000109.2F257I255-F257 HydrophobicContact CG2-CD2 3.68Å; I255-F257 HydrophobicContact CG2-CE2 3.54Å
256N32.2Very low39.7Very low155 Ų155153 Ų15383%0.82979%0.792SS**  trans-71.1128.5170.3-78.9-54.8000111.2
257F29.6Very low40.4Very low189 Ų189151.7 Ų151.783%0.82978%0.779SS**  trans-143102.7156.2-82.7-73.4000112.4I255I255-F257 HydrophobicContact CG2-CD2 3.68Å; I255-F257 HydrophobicContact CG2-CE2 3.54Å
258S29.6Very low41Very low115 Ų115151.5 Ų151.580%0.80478%0.775SS**  trans20.2117.2142.4-171.80000120.2
259D34.5Very low41.8Very low149 Ų149151.8 Ų151.880%0.79777%0.765SS**  trans-56.6126.6159.2-73.8-48.5000113.3
260N35Very low42.3Very low157 Ų157151.7 Ų151.784%0.8477%0.772SS**  trans167.394.6137-92.5-33.3000110.9
261D33.5Very low43.2Very low164 Ų164149.6 Ų149.688%0.87778%0.782SS**  -170.2115.6125.6-114-16000110.8Q263D261-Q263 PolarHBondContact O-N 3.31Å
262S45Very low44.3Very low102 Ų102147.3 Ų147.371%0.71377%0.769SS**  trans-77.2109.8-179.352.40000111.5L264S262-L264 PolarHBondContact O-N 2.95Å; S262-L264 VanDerWaalsContact O-N 3.14Å
263Q53.2Low44.8Very low200 Ų200142.4 Ų142.494%0.93576%0.758SS**  trans-72.3102.7165.9-73.1-168.4-11.600110.1D261D261-Q263 PolarHBondContact O-N 3.31Å
264L52.6Low45.5Very low145 Ų145141.2 Ų141.276%0.75976%0.76SS**  trans-71.5132.7172.2-76.1162.3000110.8S262 I266S262-L264 PolarHBondContact O-N 2.95Å; S262-L264 VanDerWaalsContact O-N 3.14Å; L264-I266 PolarHBondContact O-N 3.31Å
265S54.9Low46.1Very low74 Ų74137.8 Ų137.852%0.51775%0.746SS.*  trans-48.7133.2175.7-176.50000112.7F267 K268S265-F267 PolarHBondContact O-N 2.83Å; S265-F267 WeakPolarHBondContact OG-CD2 3.32Å; S265-K268 PolarHBondContact O-N 2.95Å
266I57Low46.7Very low108 Ų108136.7 Ų136.755%0.55475%0.746SS**G310 helixtrans-55.5-21.5-175.1-130.1165.9000113.3L264 K268L264-I266 PolarHBondContact O-N 3.31Å; I266-K268 VanDerWaalsContact C-N 3.28Å; I266-K268 PolarHBondContact O-N 3.28Å
267F51.2Low47.1Very low127 Ų127137.8 Ų137.856%0.55774%0.744SS**G310 helixtrans-80.75.9-176.5-56.5-67.8000115.3S265S265-F267 PolarHBondContact O-N 2.83Å; S265-F267 WeakPolarHBondContact OG-CD2 3.32Å
268K52.9Low47.6Very low182 Ų182131.9 Ų131.979%0.79174%0.736SS**G310 helixtrans-121.616.6179.2-67.5-172.2179.5178.70114.6S265 I266S265-K268 PolarHBondContact O-N 2.95Å; I266-K268 VanDerWaalsContact C-N 3.28Å; I266-K268 PolarHBondContact O-N 3.28Å
269R57.2Low48.2Very low171 Ų171138 Ų13865%0.64574%0.741SS**  trans-75.1134.4178.1-69.1-173.8176.7-148.10.4111.7G271 L272R269-G271 PolarHBondContact O-N 3.47Å; R269-L272 PolarHBondContact O-N 2.89Å
270P51.1Low48.1Very low137 Ų137139 Ų13989%0.8975%0.747SS**THydrogen-bonded Turntrans-61.8127.3172.6-14.227.8000109.5
271G55.7Low48.2Very low88 Ų88139.4 Ų139.491%0.90775%0.748SS**THydrogen-bonded Turntrans107.7-14.3-179.600000115.3R269R269-G271 PolarHBondContact O-N 3.47Å
272L58Low48.5Very low114 Ų114136.3 Ų136.360%0.59775%0.745SS**SBendtrans-111.4102.7170.1-155.470.3000107.4R269R269-L272 PolarHBondContact O-N 2.89Å
273G47.6Very low47.9Very low63 Ų63135.7 Ų135.765%0.64975%0.746SS**  trans-49.8146.5-175.300000112.6I275G273-I275 PolarHBondContact O-N 3.44Å
274K50.5Low47.1Very low197 Ų197133.3 Ų133.386%0.85774%0.74SS**  trans-56.2109.4-179.8-76179.3177.2175.70110.4
275I52.6Low46.2Very low110 Ų110134.7 Ų134.756%0.56475%0.746SS**  trans-86.4113170.8-62170000107.5G273 F277G273-I275 PolarHBondContact O-N 3.44Å; I275-F277 HydrophobicContact CG2-CD2 4.5Å; I275-F277 HydrophobicContact CG2-CE2 4.09Å; I275-F277 HydrophobicContact CG2-CZ 4.22Å
276V47.6Very low45.2Very low124 Ų124138.4 Ų138.475%0.75276%0.76SS**  trans-104.4119173.7-177.60000107.4G278V276-G278 PolarHBondContact O-N 3.01Å
277F40.4Very low44.8Very low178 Ų178138.2 Ų138.278%0.78177%0.766SS**  trans-77.3106.9170.7-71-82000109I275 R279I275-F277 HydrophobicContact CG2-CD2 4.5Å; I275-F277 HydrophobicContact CG2-CE2 4.09Å; I275-F277 HydrophobicContact CG2-CZ 4.22Å; F277-R279 PolarHBondContact O-N 3.02Å
278G39Very low43.9Very low65 Ų65141.6 Ų141.667%0.6778%0.784SS**  trans-69.5120.5171.500000110.6V276V276-G278 PolarHBondContact O-N 3.01Å
279R41.8Very low42.9Very low243 Ų243137.9 Ų137.992%0.91779%0.786SS**  trans-66.3125.4162.6-78.6168.7134.1162.4-4.9108.4F277 L281F277-R279 PolarHBondContact O-N 3.02Å; R279-L281 PolarHBondContact O-N 2.88Å; R279-L281 VanDerWaalsContact O-N 3.13Å
280N33.8Very low42.1Very low170 Ų170137.2 Ų137.291%0.90979%0.794SS**  trans-70.1106.2170.1-74.6-7.6000109.6
281L37.2Very low41.5Very low166 Ų166136.3 Ų136.387%0.86979%0.788SS**  trans-107.2134162.1-153.284.9000107.4R279R279-L281 PolarHBondContact O-N 2.88Å; R279-L281 VanDerWaalsContact O-N 3.13Å
282A38.7Very low40.5Very low98 Ų98137.7 Ų137.781%0.8178%0.784SS**  trans-65.5137.2176.800000112.2
283A33.7Very low39.1Very low89 Ų89135.6 Ų135.674%0.73679%0.79SS**  trans167.2130.7138.400000110.6
284D34.8Very low38.4Very low150 Ų150142.9 Ų142.980%0.80280%0.804SS**  trans35.7122.3148.9-58-25.8000121
285I34.3Very low37.5Very low175 Ų175141.6 Ų141.690%0.89780%0.8SS**  -167.6132.5127.1-87.3143.1000108.8
286N34.1Very low36.6Very low152 Ų152141.9 Ų141.981%0.81381%0.813SS**  trans-77.8168.4179.8-134.611.4000111.8
287P49.7Very low36Very low103 Ų103142.2 Ų142.267%0.66981%0.809SS**  trans-93.4152.4-15637.3-36000113.7
288E32Very low35.4Very low199 Ų199138.9 Ų138.993%0.9381%0.807SS**  trans177.5155.2140.7-104.6173.6169.800111.6
289A32.1Very low34.9Very low103 Ų103145 Ų14585%0.85182%0.816SS**  trans88.498.5176.300000118.3
290I39.6Very low34.4Very low157 Ų157142.7 Ų142.781%0.80581%0.813SS**  trans-81.4152.5166.5-51.8162.9000108.7
291P38.7Very low34.2Very low119 Ų119143.9 Ų143.977%0.77382%0.815SS**  -138.2134.896.311.612.8000113.4
292S33.4Very low33.9Very low117 Ų117141.4 Ų141.482%0.81881%0.811SS**  68115.396.5176.90000115.5
293G30.5Very low33.9Very low69 Ų69142.3 Ų142.371%0.71181%0.812SS**  trans126.189.4155.900000115.2
294K32.8Very low33.8Very low217 Ų217145.7 Ų145.794%0.94381%0.812SS**  trans-123.894.1152.1-78.7-167.2178-1780108.5
295E30Very low33.7Very low169 Ų169146.2 Ų146.279%0.7981%0.814SS**  trans-62.6137159.4-71.4175.315100109.4I297E295-I297 PolarHBondContact O-N 3.19Å
296S35.4Very low33.6Very low117 Ų117148 Ų14882%0.81882%0.816SS**  trans-66118.8164.949.60000110.1
297I34.4Very low33.5Very low130 Ų130148.5 Ų148.567%0.66781%0.814SS**  trans-125.599.9163-63.4172000107.9E295 F299E295-I297 PolarHBondContact O-N 3.19Å; I297-F299 HydrophobicContact CG2-CD2 3.75Å; I297-F299 HydrophobicContact CG2-CE2 3.76Å
298S28.1Very low32.7Very low108 Ų108152.9 Ų152.976%0.75583%0.825SS**  trans-68.2129161.354.80000109.5
299F28.2Very low32.8Very low193 Ų193151.8 Ų151.885%0.84682%0.82SS**  trans-109.7107.5158.8-100-87.7000109I297I297-F299 HydrophobicContact CG2-CD2 3.75Å; I297-F299 HydrophobicContact CG2-CE2 3.76Å
300K31.9Very low32.6Very low196 Ų196155.2 Ų155.285%0.85282%0.823SS**  trans-67.6138.3157.5-79.5176.5171.1179.70107.8
301M29.3Very low32.1Very low195 Ų195152 Ų15296%0.96182%0.82SS**  trans-116.1135.1165.8-149.2168.4-178.800109.2
302S30.8Very low31.9Very low113 Ų113154.6 Ų154.679%0.7982%0.822SS**  trans-78.5135.9-156.7-47.10000113.9E304S302-E304 PolarHBondContact O-N 3.43Å
303S37.2Very low31.7Very low117 Ų117156.9 Ų156.982%0.81883%0.825SS**  trans-70.9101.1156.542.30000109.7
304E31.6Very low31.6Very low160 Ų160156.9 Ų156.975%0.74883%0.825SS**  trans-171.880.3162.1-108.6168.7-152.400109.9S302S302-E304 PolarHBondContact O-N 3.43Å
305L33.3Very low31.5Very low161 Ų161157.7 Ų157.784%0.84382%0.822SS**SBendtrans-152.744.7156.2-145.9101.1000112.1
306F32.6Very low31.8Very low212 Ų212157.5 Ų157.593%0.9382%0.821SS**  trans-148.284.9159.8-78.3-74.1000108.3
307Q31.1Very low31.5Very low164 Ų164158.4 Ų158.477%0.76682%0.817SS**  trans-116.8102.7158.3-77.2177.611.200106.5
308H33.5Very low31.4Very low195 Ų195160 Ų16090%0.90383%0.827SS**  trans-129.9121.9147.7-110.1-73.5000107.2
309E33.5Very low32Very low176 Ų176159 Ų15982%0.82283%0.825SS**  trans-58.5141.6-174.4-59.7170.1141.700111.9
310N27.8Very low32.4Very low174 Ų174158 Ų15893%0.9382%0.823SS**  trans-147.4105.1150.2-93.1-30.1000107.8
311A29.9Very low32.5Very low90 Ų90154.9 Ų154.974%0.74482%0.815SS**  trans-126.8117.9165.500000109
312E34.3Very low32.7Very low174 Ų174152.7 Ų152.781%0.81381%0.808SS**  trans63.3117.9145-57.9-173.5165.500120.2
313N29.2Very low32.9Very low165 Ų165151.5 Ų151.588%0.88281%0.805SS**  -175.5139.6104.6-89.3-48.4000111.1
314G29.6Very low33.3Very low68 Ų68152.7 Ų152.770%0.70180%0.802SS**  trans-90.5160174.600000113.8
315R30.4Very low33.8Very low234 Ų234150.3 Ų150.388%0.88380%0.798SS**  166.5127.7129.5-92.5173-176.1161.43.4111.4
316E34.9Very low34Very low165 Ų165147.3 Ų147.377%0.77179%0.788SS**  trans37.2136.9135.8-66.6172.6174.300122.9
317D31Very low34.5Very low136 Ų136148 Ų14873%0.72779%0.785SS**  trans67.9114.2149.3-57.9-19000120.5
318D31.7Very low35.1Very low164 Ų164146.4 Ų146.488%0.87778%0.782SS**  167.6156.195.6-98-35.5000112.9
319A39.7Very low35.7Very low86 Ų86146.3 Ų146.371%0.71178%0.782SS**  trans-79.4164.9-175.500000115.1
320E37.1Very low36.3Very low173 Ų173144.9 Ų144.981%0.80878%0.775SS**  trans95.3113.7154.9-60.2-165.1175.500121.2
321N34.8Very low37.4Very low130 Ų130144.8 Ų144.870%0.69577%0.769SS**  trans80.4122.1130.4-88-32.8000123.1
322N32.8Very low38.1Very low149 Ų149146.2 Ų146.280%0.79776%0.764SS**  trans69.8109.6144-86-34.9000119.3
323A34.2Very low38.4Very low88 Ų88143.5 Ų143.573%0.72776%0.758SS**  -177.1123.691.100000111.7V325A323-V325 PolarHBondContact O-N 3.07Å
324N45.9Very low39Very low143 Ų143144.6 Ų144.677%0.76575%0.75SS**  trans-19.8108.2160.6-161.826000116.6P326N324-P326 WeakPolarHBondContact OD1-CD 3.45Å; N324-P326 VanDerWaalsContact OD1-CG 3.28Å; N324-P326 WeakPolarHBondContact OD1-CG 3.44Å
325V42.8Very low39.8Very low109 Ų109148.1 Ų148.166%0.66175%0.753SS**  trans-139.995.9153.2-168.50000108.7A323 W327A323-V325 PolarHBondContact O-N 3.07Å; V325-W327 VanDerWaalsContact C-N 3.35Å; V325-W327 VanDerWaalsContact CG1-CD1 3.5Å; V325-W327 PolarHBondContact O-N 3.16Å
326P38.3Very low40.6Very low99 Ų99143.8 Ų143.864%0.64375%0.748SS**  trans-81.578.9178.4-10.528.1000110.9N324N324-P326 WeakPolarHBondContact OD1-CD 3.45Å; N324-P326 VanDerWaalsContact OD1-CG 3.28Å; N324-P326 WeakPolarHBondContact OD1-CG 3.44Å
327W41.4Very low41.5Very low226 Ų226144.7 Ų144.786%0.85675%0.752SS**  trans-93.994.4147.4-60.499.7000105V325 E329V325-W327 VanDerWaalsContact C-N 3.35Å; V325-W327 VanDerWaalsContact CG1-CD1 3.5Å; V325-W327 PolarHBondContact O-N 3.16Å; W327-E329 PolarHBondContact O-N 3.33Å
328N44Very low42.8Very low131 Ų131145.4 Ų145.470%0.70175%0.751SS**  trans-54.3114158.8-99.32.3000105.3E330N328-E330 HydrophobicContact CB-CG 4.44Å; N328-E330 PolarHBondContact O-N 3.05Å
329E47.2Very low44.1Very low193 Ų193140.4 Ų140.490%0.90274%0.738SS**  trans-60.771.9149.4-73.6175.2159.300106.8W327 E331W327-E329 PolarHBondContact O-N 3.33Å; E329-E331 PolarHBondContact O-N 3Å
330E45.8Very low45.4Very low145 Ų145145.3 Ų145.368%0.67875%0.746SS**  trans-63.592.3145.1-81.4178.3-172.800103.8N328 L332N328-E330 HydrophobicContact CB-CG 4.44Å; N328-E330 PolarHBondContact O-N 3.05Å; E330-L332 PolarHBondContact O-N 3.26Å
331E50.9Low47.4Very low173 Ų173140.9 Ų140.981%0.80873%0.728SS**  trans-53.183.8148.3-163.6172.5-147.400104.9E329 V333E329-E331 PolarHBondContact O-N 3Å; E331-V333 PolarHBondContact O-N 2.84Å
332L43.3Very low49.9Very low120 Ų120137 Ų13763%0.62871%0.709SS**  trans-54.295.2160.9-92.8162.7000103.2E330 W334E330-L332 PolarHBondContact O-N 3.26Å; L332-W334 PolarHBondContact O-N 3.32Å
333V41.4Very low52.7Low116 Ų116134.4 Ų134.470%0.70370%0.7SS**  trans-68.892.5160179.40000103.1E331 D335E331-V333 PolarHBondContact O-N 2.84Å; V333-D335 PolarHBondContact O-N 3.1Å
334W41.9Very low55.4Low189 Ų189130.4 Ų130.472%0.71667%0.667SS**  trans-57132.7161.9-67.363.3000105L332 D336L332-W334 PolarHBondContact O-N 3.32Å; W334-D336 PolarHBondContact O-N 3.31Å
335D46.8Very low57.6Low142 Ų142126.8 Ų126.876%0.75965%0.645SS**  trans-67.179.9-179.5-147.86000106.8V333 E337 E338V333-D335 PolarHBondContact O-N 3.1Å; D335-E337 PolarHBondContact O-N 3.36Å; D335-E338 PolarHBondContact O-N 2.89Å
336D46.8Very low59.9Low143 Ų143125.5 Ų125.577%0.76564%0.637SS**THydrogen-bonded Turntrans-68.814.1-176-67.3-23.8000112.4W334W334-D336 PolarHBondContact O-N 3.31Å
337E54.2Low62.5Low184 Ų184121.5 Ų121.586%0.8661%0.61SS**THydrogen-bonded Turntrans-90.3-2.4173.7-81.3-160.4163.500114.4D335D335-E337 PolarHBondContact O-N 3.36Å
338E57.7Low64.9Low151 Ų151110.8 Ų110.871%0.70657%0.569SS**SBendtrans-93.396.7154.2-94.2179.9-171.400107.2D335 E340D335-E338 PolarHBondContact O-N 2.89Å; E338-E340 PolarHBondContact O-N 3.14Å; E338-E340 VanDerWaalsContact O-N 3.1Å
339G59.4Low67.1Low59 Ų59107 Ų10761%0.60856%0.556SS**  trans-45.5125173.300000109.1N341G339-N341 PolarHBondContact O-N 3Å
340E67Low69.2Low188 Ų188101.4 Ų101.488%0.87954%0.538SS*.  trans-39106.1-171.9-63.7179165.400110.9E338 T342E338-E340 PolarHBondContact O-N 3.14Å; E338-E340 VanDerWaalsContact O-N 3.1Å; E340-T342 PolarHBondContact O-N 3.44Å
341N77.8Confident71.2Confident80 Ų8097.4 Ų97.443%0.42852%0.52SS..  trans-56.7120.7-178.5-73.6-44.8000107.9G339 E345 V346G339-N341 PolarHBondContact O-N 3Å; N341-E345 WeakPolarHBondContact CA-OE2 3.32Å; N341-E345 HydrophobicContact CB-CG 4.42Å; N341-V346 HydrophobicContact CB-CG2 3.75Å
342T88.4Confident72.9Confident50 Ų5096.4 Ų96.431%0.30752%0.517SS..  trans-62.4149.4-175.463.30000109.6E340 L344 E345 V346E340-T342 PolarHBondContact O-N 3.44Å; T342-L344 PolarHBondContact O-N 3.27Å; T342-E345 PolarHBondContact N-OE2 3.38Å; T342-E345 WeakPolarHBondContact O-CA 3.08Å; T342-E345 WeakPolarHBondContact O-CB 3.28Å; T342-E345 PolarHBondContact O-N 3.26Å; T342-E345 VanDerWaalsContact OG1-CB 3.26Å; T342-E345 WeakPolarHBondContact OG1-CB 3.49Å; T342-E345 PolarHBondContact OG1-N 3.23Å; T342-E345 VanDerWaalsContact OG1-N 3.15Å; T342-V346 PolarHBondContact O-N 3.17Å
343P91Very high75Confident93 Ų9391.1 Ų91.160%0.60449%0.489SS*.Hα-helixtrans-53.2-30.8176-28.835.5000113.2F347 L367P343-F347 VanDerWaalsContact O-CB 3.24Å; P343-F347 WeakPolarHBondContact O-CB 3.37Å; P343-F347 PolarHBondContact O-N 3.39Å; P343-F347 VanDerWaalsContact O-N 3.08Å; P343-L367 HydrophobicContact CB-CB 4.44Å; P343-L367 HydrophobicContact CB-CD2 3.89Å
344L91.3Very high77.2Confident5 Ų590.6 Ų90.63%0.02648%0.482CS..Hα-helixtrans-67.3-45.8173.5178.865.3000112.4T342 F347 L348 L357 F360 I365 L367 L370T342-L344 PolarHBondContact O-N 3.27Å; L344-F347 PolarHBondContact O-N 2.91Å; L344-L348 HydrophobicContact CD1-CD1 4.06Å; L344-L348 HydrophobicContact CD1-CG 4.18Å; L344-L348 HydrophobicContact CG-CD1 4.03Å; L344-L348 HydrophobicContact CG-CG 4.48Å; L344-L348 WeakPolarHBondContact O-CB 3.43Å; L344-L348 WeakPolarHBondContact O-CG 3.36Å; L344-L348 PolarHBondContact O-N 3.28Å; L344-L357 HydrophobicContact CD2-CD1 4.17Å; L344-L357 HydrophobicContact CG-CD1 4.22Å; L344-F360 HydrophobicContact CD2-CB 3.89Å; L344-I365 WeakPolarHBondContact CD2-O 3.37Å; L344-L367 HydrophobicContact CB-CB 4.32Å; L344-L367 HydrophobicContact CD1-CD1 4.45Å; L344-L370 HydrophobicContact CD1-CD2 3.65Å
345E91.9Very high79.3Confident66 Ų6689 Ų8931%0.30848%0.483SS..Hα-helixtrans-61.3-47.2177.7174168.1-151.300111.9N341 T342 F347 L348 A349 L357N341-E345 WeakPolarHBondContact CA-OE2 3.32Å; N341-E345 HydrophobicContact CB-CG 4.42Å; T342-E345 PolarHBondContact N-OE2 3.38Å; T342-E345 WeakPolarHBondContact O-CA 3.08Å; T342-E345 WeakPolarHBondContact O-CB 3.28Å; T342-E345 PolarHBondContact O-N 3.26Å; T342-E345 VanDerWaalsContact OG1-CB 3.26Å; T342-E345 WeakPolarHBondContact OG1-CB 3.49Å; T342-E345 PolarHBondContact OG1-N 3.23Å; T342-E345 VanDerWaalsContact OG1-N 3.15Å; E345-F347 VanDerWaalsContact C-N 3.29Å; E345-F347 PolarHBondContact O-N 3.14Å; E345-L348 PolarHBondContact O-N 2.64Å; E345-A349 VanDerWaalsContact O-CB 3.24Å; E345-A349 WeakPolarHBondContact O-CB 3.47Å; E345-A349 PolarHBondContact O-N 3.12Å; E345-L357 HydrophobicContact CB-CD1 4.14Å; E345-L357 HydrophobicContact CB-CD2 4Å; E345-L357 HydrophobicContact CG-CD2 3.85Å
346V91.8Very high81.2Confident83 Ų8383.7 Ų83.750%0.50345%0.453SS..Hα-helixtrans-61.1-41.2175.4-179.20000110.9N341 T342 S350N341-V346 HydrophobicContact CB-CG2 3.75Å; T342-V346 PolarHBondContact O-N 3.17Å; V346-S350 WeakPolarHBondContact O-CB 3.31Å; V346-S350 PolarHBondContact O-N 3.4Å
347F92.3Very high83.2Confident15 Ų1578.3 Ų78.37%0.06642%0.424CS..Hα-helixtrans-64.2-48.4177.7177.1-103.7000112.1P343 L344 E345 S350 Q351 L367 L370 A394 M395 R398P343-F347 VanDerWaalsContact O-CB 3.24Å; P343-F347 WeakPolarHBondContact O-CB 3.37Å; P343-F347 PolarHBondContact O-N 3.39Å; P343-F347 VanDerWaalsContact O-N 3.08Å; L344-F347 PolarHBondContact O-N 2.91Å; E345-F347 VanDerWaalsContact C-N 3.29Å; E345-F347 PolarHBondContact O-N 3.14Å; F347-S350 PolarHBondContact O-N 3.47Å; F347-S350 PolarHBondContact O-OG 2.9Å; F347-Q351 PolarHBondContact O-N 3.39Å; F347-L367 HydrophobicContact CB-CD1 3.8Å; F347-L367 HydrophobicContact CB-CD2 4.49Å; F347-L367 HydrophobicContact CD1-CD1 3.62Å; F347-L367 HydrophobicContact CD2-CD1 4.22Å; F347-L367 HydrophobicContact CE1-CD1 4.23Å; F347-L367 HydrophobicContact CG-CD1 3.6Å; F347-L370 HydrophobicContact CD1-CD2 4.11Å; F347-L370 HydrophobicContact CE1-CD2 3.92Å; F347-A394 HydrophobicContact CE2-CB 4.31Å; F347-A394 HydrophobicContact CZ-CB 3.78Å; F347-M395 HydrophobicContact CZ-CG 4.48Å; F347-R398 HydrophobicContact CE2-CB 4.36Å
348L91.8Very high84.8Confident1 Ų173.5 Ų73.51%0.00541%0.409CS..Hα-helixtrans-65.9-40.1178.6-69.8175.4000112.1L344 E345 S350 Q351 M352 L353 L357 F360L344-L348 HydrophobicContact CD1-CD1 4.06Å; L344-L348 HydrophobicContact CD1-CG 4.18Å; L344-L348 HydrophobicContact CG-CD1 4.03Å; L344-L348 HydrophobicContact CG-CG 4.48Å; L344-L348 WeakPolarHBondContact O-CB 3.43Å; L344-L348 WeakPolarHBondContact O-CG 3.36Å; L344-L348 PolarHBondContact O-N 3.28Å; E345-L348 PolarHBondContact O-N 2.64Å; L348-S350 VanDerWaalsContact C-N 3.31Å; L348-S350 PolarHBondContact O-N 2.54Å; L348-Q351 CarbonylContact O-C 3.59Å; L348-Q351 PolarHBondContact O-N 3.01Å; L348-Q351 VanDerWaalsContact O-N 3.08Å; L348-M352 PolarHBondContact O-N 2.64Å; L348-L353 HydrophobicContact CD2-CB 4.19Å; L348-L353 PolarHBondContact O-N 3.31Å; L348-L357 HydrophobicContact CD1-CB 4.09Å; L348-L357 HydrophobicContact CD1-CD1 4Å; L348-F360 HydrophobicContact CD1-CD2 3.69Å; L348-F360 HydrophobicContact CD1-CE2 4.07Å; L348-F360 HydrophobicContact CD2-CD2 4.48Å; L348-F360 HydrophobicContact CD2-CE2 4.04Å
349A91.1Very high86.2Confident50 Ų5067.6 Ų67.641%0.41338%0.383SS..Hα-helixtrans-59.6-41.6174.700000111.5E345 Q351 M352E345-A349 VanDerWaalsContact O-CB 3.24Å; E345-A349 WeakPolarHBondContact O-CB 3.47Å; E345-A349 PolarHBondContact O-N 3.12Å; A349-Q351 PolarHBondContact O-N 3.36Å; A349-Q351 VanDerWaalsContact O-N 3.16Å; A349-M352 PolarHBondContact O-N 3.16Å; A349-M352 VanDerWaalsContact O-N 3.07Å
350S89.8Confident87.6Confident76 Ų7664.8 Ų64.853%0.53135%0.354SS..Hα-helixtrans-61.6-24.1176.580.90000113.9V346 F347 L348V346-S350 WeakPolarHBondContact O-CB 3.31Å; V346-S350 PolarHBondContact O-N 3.4Å; F347-S350 PolarHBondContact O-N 3.47Å; F347-S350 PolarHBondContact O-OG 2.9Å; L348-S350 VanDerWaalsContact C-N 3.31Å; L348-S350 PolarHBondContact O-N 2.54Å
351Q88.8Confident88.6Confident62 Ų6261 Ų6129%0.2934%0.338SS..THydrogen-bonded Turntrans-100.23.5179.7-57.4-52-50.500113.1F347 L348 A349 L353 A394F347-Q351 PolarHBondContact O-N 3.39Å; L348-Q351 CarbonylContact O-C 3.59Å; L348-Q351 PolarHBondContact O-N 3.01Å; L348-Q351 VanDerWaalsContact O-N 3.08Å; A349-Q351 PolarHBondContact O-N 3.36Å; A349-Q351 VanDerWaalsContact O-N 3.16Å; Q351-L353 VanDerWaalsContact C-N 3.34Å; Q351-L353 HydrophobicContact CB-CD1 3.97Å; Q351-L353 HydrophobicContact CB-CG 4.18Å; Q351-A394 VanDerWaalsContact CD-CB 3.48Å; Q351-A394 HydrophobicContact CG-CB 3.6Å
352M86.3Confident89.1Confident152 Ų15264.5 Ų64.575%0.74935%0.345SS*.THydrogen-bonded Turntrans56.945.3-173.5-54.9-67.1-61.200112.1L348 A349L348-M352 PolarHBondContact O-N 2.64Å; A349-M352 PolarHBondContact O-N 3.16Å; A349-M352 VanDerWaalsContact O-N 3.07Å
353L87.3Confident89Confident8 Ų867.1 Ų67.14%0.04235%0.354CS..  trans-127.729.5-177.5-67.1176000112.4L348 Q351 E355 F356 P387 K390 V391L348-L353 HydrophobicContact CD2-CB 4.19Å; L348-L353 PolarHBondContact O-N 3.31Å; Q351-L353 VanDerWaalsContact C-N 3.34Å; Q351-L353 HydrophobicContact CB-CD1 3.97Å; Q351-L353 HydrophobicContact CB-CG 4.18Å; L353-E355 PolarHBondContact O-N 3.37Å; L353-F356 HydrophobicContact CB-CD2 4.19Å; L353-F356 HydrophobicContact CD2-CD2 3.97Å; L353-F356 HydrophobicContact CD2-CE2 3.9Å; L353-F356 PolarHBondContact O-N 3.11Å; L353-F356 VanDerWaalsContact O-N 3.14Å; L353-P387 HydrophobicContact CD2-CB 3.9Å; L353-K390 HydrophobicContact CD1-CB 4.12Å; L353-V391 HydrophobicContact CD1-CG2 3.36Å
354D87.3Confident88.8Confident106 Ų10671.7 Ų71.757%0.56736%0.364SS*.G310 helixtrans-57.6-30.4178.453.7-65.7000113.1F356 L357D354-F356 PolarHBondContact O-N 3.13Å; D354-F356 VanDerWaalsContact O-N 3.13Å; D354-L357 WeakPolarHBondContact O-CB 3.44Å; D354-L357 PolarHBondContact O-N 3.14Å; D354-L357 VanDerWaalsContact O-N 3.12Å
355E86.7Confident88.7Confident155 Ų15572.8 Ų72.872%0.72437%0.37SS*.G310 helixtrans-57.9-26.7176.1-172.2176.9-174.300113.5L353 P358L353-E355 PolarHBondContact O-N 3.37Å; E355-P358 WeakPolarHBondContact O-CD 3.47Å
356F86.9Confident88.7Confident30 Ų3074 Ų7413%0.13238%0.378CS..G310 helixtrans-90.1-8.7-177.8-62.7-81.3000113.6L353 D354 P358 V359 F360 M383 P387L353-F356 HydrophobicContact CB-CD2 4.19Å; L353-F356 HydrophobicContact CD2-CD2 3.97Å; L353-F356 HydrophobicContact CD2-CE2 3.9Å; L353-F356 PolarHBondContact O-N 3.11Å; L353-F356 VanDerWaalsContact O-N 3.14Å; D354-F356 PolarHBondContact O-N 3.13Å; D354-F356 VanDerWaalsContact O-N 3.13Å; F356-P358 VanDerWaalsContact C-CD 3.5Å; F356-V359 WeakPolarHBondContact O-CB 3.37Å; F356-V359 PolarHBondContact O-N 3.2Å; F356-F360 HydrophobicContact CB-CD2 4.11Å; F356-F360 HydrophobicContact CB-CE2 3.68Å; F356-F360 WeakPolarHBondContact O-CD2 3.24Å; F356-F360 PolarHBondContact O-N 2.92Å; F356-M383 HydrophobicContact CD1-CE 3.97Å; F356-M383 HydrophobicContact CD1-CG 3.96Å; F356-M383 HydrophobicContact CD1-SD 4.44Å; F356-M383 HydrophobicContact CD2-CE 4.38Å; F356-M383 HydrophobicContact CE1-CE 4.29Å; F356-M383 HydrophobicContact CE1-CG 4.16Å; F356-M383 HydrophobicContact CG-CE 4.03Å; F356-P387 HydrophobicContact CD2-CB 4.36Å; F356-P387 HydrophobicContact CE1-CB 4.39Å; F356-P387 HydrophobicContact CE2-CB 3.5Å; F356-P387 HydrophobicContact CE2-CG 3.78Å; F356-P387 HydrophobicContact CZ-CB 3.53Å; F356-P387 HydrophobicContact CZ-CG 3.6Å
357L89Confident88.7Confident31 Ų3170.7 Ų70.716%0.16236%0.358CS..Hα-helixtrans-54.7-44.3179.5-178.966.5000113L344 E345 L348 D354 V359 F360 M361L344-L357 HydrophobicContact CD2-CD1 4.17Å; L344-L357 HydrophobicContact CG-CD1 4.22Å; E345-L357 HydrophobicContact CB-CD1 4.14Å; E345-L357 HydrophobicContact CB-CD2 4Å; E345-L357 HydrophobicContact CG-CD2 3.85Å; L348-L357 HydrophobicContact CD1-CB 4.09Å; L348-L357 HydrophobicContact CD1-CD1 4Å; D354-L357 WeakPolarHBondContact O-CB 3.44Å; D354-L357 PolarHBondContact O-N 3.14Å; D354-L357 VanDerWaalsContact O-N 3.12Å; L357-V359 PolarHBondContact O-N 3.25Å; L357-F360 PolarHBondContact O-N 3.46Å; L357-M361 HydrophobicContact CD1-CG 4.09Å; L357-M361 HydrophobicContact CG-CG 4.26Å; L357-M361 WeakPolarHBondContact O-CB 3.45Å; L357-M361 VanDerWaalsContact O-CG 3.27Å; L357-M361 WeakPolarHBondContact O-CG 3.38Å; L357-M361 PolarHBondContact O-N 3.44Å
358P87.7Confident88.6Confident83 Ų8375.8 Ų75.854%0.53939%0.385SS..Hα-helixtrans-64-26177.6-21.834.6000113.8E355 F356 R362E355-P358 WeakPolarHBondContact O-CD 3.47Å; F356-P358 VanDerWaalsContact C-CD 3.5Å; P358-R362 VanDerWaalsContact O-CB 3.27Å; P358-R362 WeakPolarHBondContact O-CB 3.25Å; P358-R362 PolarHBondContact O-N 3.42Å; P358-R362 VanDerWaalsContact O-N 3.1Å
359V87Confident88.6Confident26 Ų2677.5 Ų77.516%0.15840%0.4CS..Hα-helixtrans-72.3-48.5177.4178.20000109.9F356 L357 R362 E363 I381F356-V359 WeakPolarHBondContact O-CB 3.37Å; F356-V359 PolarHBondContact O-N 3.2Å; L357-V359 PolarHBondContact O-N 3.25Å; V359-R362 PolarHBondContact O-N 2.94Å; V359-E363 PolarHBondContact O-N 2.86Å; V359-E363 VanDerWaalsContact O-N 3.17Å; V359-I381 HydrophobicContact CG1-CB 4.08Å; V359-I381 HydrophobicContact CG1-CD1 4.42Å
360F89.4Confident88.6Confident1 Ų175.1 Ų75.10%0.00438%0.38CS..Hα-helixtrans-65-39.8177.3-65.6-66.6000112.3L344 L348 F356 L357 R362 E363 K364 I365 L370 L378 I381 M383L344-F360 HydrophobicContact CD2-CB 3.89Å; L348-F360 HydrophobicContact CD1-CD2 3.69Å; L348-F360 HydrophobicContact CD1-CE2 4.07Å; L348-F360 HydrophobicContact CD2-CD2 4.48Å; L348-F360 HydrophobicContact CD2-CE2 4.04Å; F356-F360 HydrophobicContact CB-CD2 4.11Å; F356-F360 HydrophobicContact CB-CE2 3.68Å; F356-F360 WeakPolarHBondContact O-CD2 3.24Å; F356-F360 PolarHBondContact O-N 2.92Å; L357-F360 PolarHBondContact O-N 3.46Å; F360-R362 PolarHBondContact O-N 3Å; F360-E363 CarbonylContact O-C 3.57Å; F360-E363 PolarHBondContact O-N 3.44Å; F360-K364 PolarHBondContact O-N 3.09Å; F360-I365 HydrophobicContact CB-CB 4.32Å; F360-I365 HydrophobicContact CD1-CB 4.1Å; F360-I365 HydrophobicContact CD1-CD1 3.98Å; F360-I365 HydrophobicContact CD1-CG2 4.03Å; F360-I365 PolarHBondContact O-N 3.45Å; F360-L370 HydrophobicContact CD1-CD1 4.29Å; F360-L370 HydrophobicContact CE1-CD1 3.59Å; F360-L370 HydrophobicContact CZ-CD1 3.94Å; F360-L378 HydrophobicContact CE1-CD2 4.05Å; F360-L378 HydrophobicContact CZ-CD2 4.31Å; F360-I381 HydrophobicContact CD1-CD1 4.1Å; F360-I381 HydrophobicContact CE1-CD1 3.44Å; F360-I381 VanDerWaalsContact CE1-CD1 3.44Å; F360-I381 HydrophobicContact CZ-CD1 3.97Å; F360-M383 HydrophobicContact CE1-SD 4.28Å; F360-M383 HydrophobicContact CE2-SD 4.29Å; F360-M383 HydrophobicContact CZ-CE 4.29Å; F360-M383 HydrophobicContact CZ-SD 3.55Å; F360-M383 VanDerWaalsContact CZ-SD 3.55Å
361M87.6Confident88.7Confident109 Ų10972.3 Ų72.354%0.53736%0.359SS..Hα-helixtrans-65.6-37176.4-68.6-62-7700112.6L357 K364L357-M361 HydrophobicContact CD1-CG 4.09Å; L357-M361 HydrophobicContact CG-CG 4.26Å; L357-M361 WeakPolarHBondContact O-CB 3.45Å; L357-M361 VanDerWaalsContact O-CG 3.27Å; L357-M361 WeakPolarHBondContact O-CG 3.38Å; L357-M361 PolarHBondContact O-N 3.44Å; M361-K364 PolarHBondContact O-N 2.94Å
362R87.7Confident88.7Confident152 Ų15276.4 Ų76.457%0.57438%0.382SS*.Hα-helixtrans-64.4-41.2176179.9176.562.5-111.74.7112.1P358 V359 F360 K364P358-R362 VanDerWaalsContact O-CB 3.27Å; P358-R362 WeakPolarHBondContact O-CB 3.25Å; P358-R362 PolarHBondContact O-N 3.42Å; P358-R362 VanDerWaalsContact O-N 3.1Å; V359-R362 PolarHBondContact O-N 2.94Å; F360-R362 PolarHBondContact O-N 3Å; R362-K364 PolarHBondContact O-N 3.11Å
363E86.1Confident88.9Confident106 Ų10670.2 Ų70.250%0.49535%0.354SS..THydrogen-bonded Turntrans-83.31.5177.7-60.6-55.4141.700113.2V359 F360 I365 I381V359-E363 PolarHBondContact O-N 2.86Å; V359-E363 VanDerWaalsContact O-N 3.17Å; F360-E363 CarbonylContact O-C 3.57Å; F360-E363 PolarHBondContact O-N 3.44Å; E363-I365 VanDerWaalsContact C-N 3.27Å; E363-I365 HydrophobicContact CB-CD1 3.84Å; E363-I365 HydrophobicContact CB-CG1 3.96Å; E363-I365 PolarHBondContact O-N 2.83Å; E363-I381 HydrophobicContact CG-CG2 4.09Å
364K87.6Confident89Confident189 Ų18971.9 Ų71.982%0.82237%0.366SS*.THydrogen-bonded Turntrans55.739.2-178-54.7-177.6178.2-176.80113.2F360 M361 R362F360-K364 PolarHBondContact O-N 3.09Å; M361-K364 PolarHBondContact O-N 2.94Å; R362-K364 PolarHBondContact O-N 3.11Å
365I89.1Confident89.2Confident28 Ų2869.4 Ų69.414%0.14435%0.352CS..  trans-90.3117.6175.3-61.2171000107.5L344 F360 E363 A369 L370L344-I365 WeakPolarHBondContact CD2-O 3.37Å; F360-I365 HydrophobicContact CB-CB 4.32Å; F360-I365 HydrophobicContact CD1-CB 4.1Å; F360-I365 HydrophobicContact CD1-CD1 3.98Å; F360-I365 HydrophobicContact CD1-CG2 4.03Å; F360-I365 PolarHBondContact O-N 3.45Å; E363-I365 VanDerWaalsContact C-N 3.27Å; E363-I365 HydrophobicContact CB-CD1 3.84Å; E363-I365 HydrophobicContact CB-CG1 3.96Å; E363-I365 PolarHBondContact O-N 2.83Å; I365-A369 HydrophobicContact CG2-CB 4.04Å; I365-L370 HydrophobicContact CG2-CB 4.02Å
366D91.8Very high89.3Confident92 Ų9268 Ų6849%0.49235%0.346SS..  trans-90.3179.7170.66213.4000111.3D368 A369 L370D366-D368 VanDerWaalsContact C-N 3.31Å; D366-D368 PolarHBondContact O-N 2.86Å; D366-D368 PolarHBondContact OD1-N 3.11Å; D366-A369 PolarHBondContact O-N 3.43Å; D366-A369 WeakPolarHBondContact OD1-CB 3.42Å; D366-A369 PolarHBondContact OD1-N 3.3Å; D366-L370 WeakPolarHBondContact O-CB 3.45Å; D366-L370 PolarHBondContact O-N 3.13Å
367L91.4Very high89.4Confident12 Ų1270.2 Ų70.26%0.06336%0.359CS..Hα-helixtrans-62-39.2-178.8-177.460.9000111.9P343 L344 F347 L370 M371P343-L367 HydrophobicContact CB-CB 4.44Å; P343-L367 HydrophobicContact CB-CD2 3.89Å; L344-L367 HydrophobicContact CB-CB 4.32Å; L344-L367 HydrophobicContact CD1-CD1 4.45Å; F347-L367 HydrophobicContact CB-CD1 3.8Å; F347-L367 HydrophobicContact CB-CD2 4.49Å; F347-L367 HydrophobicContact CD1-CD1 3.62Å; F347-L367 HydrophobicContact CD2-CD1 4.22Å; F347-L367 HydrophobicContact CE1-CD1 4.23Å; F347-L367 HydrophobicContact CG-CD1 3.6Å; L367-L370 WeakPolarHBondContact O-CB 3.45Å; L367-L370 PolarHBondContact O-N 3.4Å; L367-M371 WeakPolarHBondContact O-CG 3.09Å; L367-M371 PolarHBondContact O-N 3.3Å
368D90.6Very high89.3Confident122 Ų12268.7 Ų68.765%0.65235%0.351SS*.Hα-helixtrans-70.6-39.6-178.1-70.1-24.5000111.6D366 M371D366-D368 VanDerWaalsContact C-N 3.31Å; D366-D368 PolarHBondContact O-N 2.86Å; D366-D368 PolarHBondContact OD1-N 3.11Å; D368-M371 WeakPolarHBondContact O-CB 3.3Å; D368-M371 PolarHBondContact O-N 3.02Å
369A91.6Very high89.3Confident37 Ų3770.1 Ų70.131%0.30635%0.351SS..Hα-helixtrans-64.1-42171.400000111.4I365 D366 M371 L372 C373I365-A369 HydrophobicContact CG2-CB 4.04Å; D366-A369 PolarHBondContact O-N 3.43Å; D366-A369 WeakPolarHBondContact OD1-CB 3.42Å; D366-A369 PolarHBondContact OD1-N 3.3Å; A369-M371 PolarHBondContact O-N 3.11Å; A369-L372 PolarHBondContact O-N 3.26Å; A369-C373 PolarHBondContact O-N 3.21Å; A369-C373 PolarHBondContact O-SG 3.3Å; A369-C373 VanDerWaalsContact O-SG 3.38Å
370L91.9Very high89.2Confident0 Ų073.1 Ų73.10%037%0.373CS..Hα-helixtrans-57.9-38.5175.6-177.661.6000111.2L344 F347 F360 I365 D366 L367 L372 C373 L378 V391 M395L344-L370 HydrophobicContact CD1-CD2 3.65Å; F347-L370 HydrophobicContact CD1-CD2 4.11Å; F347-L370 HydrophobicContact CE1-CD2 3.92Å; F360-L370 HydrophobicContact CD1-CD1 4.29Å; F360-L370 HydrophobicContact CE1-CD1 3.59Å; F360-L370 HydrophobicContact CZ-CD1 3.94Å; I365-L370 HydrophobicContact CG2-CB 4.02Å; D366-L370 WeakPolarHBondContact O-CB 3.45Å; D366-L370 PolarHBondContact O-N 3.13Å; L367-L370 WeakPolarHBondContact O-CB 3.45Å; L367-L370 PolarHBondContact O-N 3.4Å; L370-L372 PolarHBondContact O-N 3.41Å; L370-L372 VanDerWaalsContact O-N 3.15Å; L370-C373 WeakPolarHBondContact O-CB 3.5Å; L370-C373 PolarHBondContact O-N 3.35Å; L370-L378 HydrophobicContact CD1-CD2 3.96Å; L370-V391 HydrophobicContact CD1-CG1 4.06Å; L370-V391 HydrophobicContact CD2-CG1 4.39Å; L370-V391 HydrophobicContact CG-CG1 4.47Å; L370-M395 HydrophobicContact CD1-SD 4.38Å; L370-M395 HydrophobicContact CG-SD 4.27Å; L370-M395 WeakPolarHBondContact O-CE 3.44Å; L370-M395 VanDerWaalsContact O-SD 3.41Å
371M91Very high88.9Confident17 Ų1774.3 Ų74.38%0.08438%0.379CS..THydrogen-bonded Turntrans-65.2-15.2177.9-67.1-66-81.300113.8L367 D368 A369 M395 R398 K399 L402L367-M371 WeakPolarHBondContact O-CG 3.09Å; L367-M371 PolarHBondContact O-N 3.3Å; D368-M371 WeakPolarHBondContact O-CB 3.3Å; D368-M371 PolarHBondContact O-N 3.02Å; A369-M371 PolarHBondContact O-N 3.11Å; M371-M395 HydrophobicContact SD-CB 4.05Å; M371-M395 HydrophobicContact SD-CG 3.94Å; M371-R398 HydrophobicContact CE-CB 3.92Å; M371-R398 HydrophobicContact CE-CG 3.78Å; M371-R398 HydrophobicContact SD-CG 4.46Å; M371-K399 HydrophobicContact CE-CB 4.46Å; M371-K399 HydrophobicContact CE-CD 4.41Å; M371-K399 HydrophobicContact CE-CG 3.45Å; M371-K399 VanDerWaalsContact CE-CG 3.45Å; M371-K399 WeakPolarHBondContact O-CE 3.42Å; M371-K399 PolarHBondContact O-NZ 2.93Å; M371-L402 HydrophobicContact CE-CD1 4.5Å
372L89.8Confident88.6Confident149 Ų14977.6 Ų77.678%0.7839%0.393SS*.THydrogen-bonded Turntrans-101.5-10.7178.6-60.5175.3000113.6A369 L370A369-L372 PolarHBondContact O-N 3.26Å; L370-L372 PolarHBondContact O-N 3.41Å; L370-L372 VanDerWaalsContact O-N 3.15Å
373C89.9Confident88.6Confident22 Ų2270.7 Ų70.715%0.14937%0.368CS..  trans-65.3141.2-179.6-67.70000112.7A369 L370 D377 L378A369-C373 PolarHBondContact O-N 3.21Å; A369-C373 PolarHBondContact O-SG 3.3Å; A369-C373 VanDerWaalsContact O-SG 3.38Å; L370-C373 WeakPolarHBondContact O-CB 3.5Å; L370-C373 PolarHBondContact O-N 3.35Å; C373-D377 HydrophobicContact CB-CB 4.1Å; C373-L378 HydrophobicContact CB-CD2 4.18Å; C373-L378 HydrophobicContact CB-CG 4.35Å
374S89.8Confident88.6Confident43 Ų4372.5 Ų72.530%0.30138%0.376SS..  trans-90.1173168.6830000112.6E376 D377 L378S374-E376 VanDerWaalsContact CB-OE2 3.28Å; S374-E376 WeakPolarHBondContact CB-OE2 3.37Å; S374-E376 PolarHBondContact O-N 2.94Å; S374-E376 PolarHBondContact OG-N 3.15Å; S374-E376 PolarHBondContact OG-OE2 3.24Å; S374-D377 PolarHBondContact N-OD2 3.16Å; S374-D377 PolarHBondContact O-N 3.05Å; S374-D377 PolarHBondContact OG-N 3.31Å; S374-D377 PolarHBondContact OG-OD2 3.14Å; S374-L378 PolarHBondContact O-N 3.5Å; S374-L378 VanDerWaalsContact O-N 3.16Å
375D89.9Confident88.5Confident53 Ų5368.1 Ų68.128%0.28336%0.361SS..Hα-helixtrans-60.4-35.3174.3-170.754.5000111.3L378 Q379 R388 L392D375-L378 PolarHBondContact O-N 3.02Å; D375-Q379 WeakPolarHBondContact O-CB 3.43Å; D375-Q379 PolarHBondContact O-N 3.27Å; D375-R388 VanDerWaalsContact OD1-CD 3.25Å; D375-R388 WeakPolarHBondContact OD1-CD 3.33Å; D375-R388 WeakPolarHBondContact OD1-CG 3.5Å; D375-R388 IonicContact OD1-CZ 3.27Å; D375-R388 IonicContact OD1-NE 3.65Å; D375-R388 PolarHBondContact OD1-NE 3.5Å; D375-R388 IonicContact OD1-NH2 2.81Å; D375-R388 PolarHBondContact OD1-NH2 2.8Å; D375-R388 IonicContact OD2-CZ 2.73Å; D375-R388 IonicContact OD2-NE 3.8Å; D375-R388 IonicContact OD2-NH2 2.88Å; D375-R388 PolarHBondContact OD2-NH2 3.42Å; D375-L392 HydrophobicContact CB-CD1 3.91Å; D375-L392 VanDerWaalsContact OD1-CD1 3.3Å; D375-L392 WeakPolarHBondContact OD1-CD1 3.41Å
376E89.6Confident88.5Confident125 Ų12568.7 Ų68.758%0.58437%0.374SS*.Hα-helixtrans-66.8-38.3176.2-60.379.8-170.800112.3S374 Q379 S380S374-E376 VanDerWaalsContact CB-OE2 3.28Å; S374-E376 WeakPolarHBondContact CB-OE2 3.37Å; S374-E376 PolarHBondContact O-N 2.94Å; S374-E376 PolarHBondContact OG-N 3.15Å; S374-E376 PolarHBondContact OG-OE2 3.24Å; E376-Q379 WeakPolarHBondContact O-CB 3.22Å; E376-Q379 PolarHBondContact O-N 3.4Å; E376-S380 PolarHBondContact O-N 3.15Å
377D88.3Confident88.4Confident77 Ų7765.6 Ų65.641%0.41236%0.359SS..Hα-helixtrans-64.9-44.9177.3-63.7-35.3000110.6C373 S374 Q379 S380 I381C373-D377 HydrophobicContact CB-CB 4.1Å; S374-D377 PolarHBondContact N-OD2 3.16Å; S374-D377 PolarHBondContact O-N 3.05Å; S374-D377 PolarHBondContact OG-N 3.31Å; S374-D377 PolarHBondContact OG-OD2 3.14Å; D377-Q379 VanDerWaalsContact C-N 3.27Å; D377-Q379 PolarHBondContact O-N 3.27Å; D377-S380 WeakPolarHBondContact O-CB 3.41Å; D377-S380 PolarHBondContact O-N 2.97Å; D377-S380 VanDerWaalsContact O-N 3.12Å; D377-S380 PolarHBondContact O-OG 2.7Å; D377-I381 PolarHBondContact O-N 2.86Å
378L88.4Confident88.4Confident0 Ų066.2 Ų66.20%036%0.36CS..Hα-helixtrans-67.2-29.8175.7-61.5179.9000112.2F360 L370 C373 S374 D375 I381 M383 R388 V391 L392F360-L378 HydrophobicContact CE1-CD2 4.05Å; F360-L378 HydrophobicContact CZ-CD2 4.31Å; L370-L378 HydrophobicContact CD1-CD2 3.96Å; C373-L378 HydrophobicContact CB-CD2 4.18Å; C373-L378 HydrophobicContact CB-CG 4.35Å; S374-L378 PolarHBondContact O-N 3.5Å; S374-L378 VanDerWaalsContact O-N 3.16Å; D375-L378 PolarHBondContact O-N 3.02Å; L378-I381 HydrophobicContact CD2-CD1 3.93Å; L378-I381 WeakPolarHBondContact O-CG1 3.4Å; L378-M383 HydrophobicContact CB-SD 4.35Å; L378-M383 HydrophobicContact CD2-SD 4.06Å; L378-M383 WeakPolarHBondContact O-CB 3.31Å; L378-M383 PolarHBondContact O-N 3.47Å; L378-R388 HydrophobicContact CB-CG 3.72Å; L378-R388 HydrophobicContact CD1-CG 4.09Å; L378-V391 HydrophobicContact CD1-CB 4.28Å; L378-V391 HydrophobicContact CD1-CG1 3.96Å; L378-L392 HydrophobicContact CD1-CD2 3.81Å; L378-L392 HydrophobicContact CD1-CG 3.86Å
379Q86.9Confident88.4Confident112 Ų11266.6 Ų66.652%0.52336%0.356SS..Hα-helixtrans-69-35.2172.1-174.417420.900112D375 E376 D377 I381 Q382D375-Q379 WeakPolarHBondContact O-CB 3.43Å; D375-Q379 PolarHBondContact O-N 3.27Å; E376-Q379 WeakPolarHBondContact O-CB 3.22Å; E376-Q379 PolarHBondContact O-N 3.4Å; D377-Q379 VanDerWaalsContact C-N 3.27Å; D377-Q379 PolarHBondContact O-N 3.27Å; Q379-I381 VanDerWaalsContact C-N 3.28Å; Q379-I381 PolarHBondContact O-N 3.46Å; Q379-Q382 PolarHBondContact O-N 3.49Å; Q379-Q382 VanDerWaalsContact O-N 3.11Å
380S84.8Confident88.4Confident90 Ų9070.8 Ų70.863%0.62937%0.368SS*.Hα-helixtrans-65-31.6179.780.80000113E376 D377 Q382E376-S380 PolarHBondContact O-N 3.15Å; D377-S380 WeakPolarHBondContact O-CB 3.41Å; D377-S380 PolarHBondContact O-N 2.97Å; D377-S380 VanDerWaalsContact O-N 3.12Å; D377-S380 PolarHBondContact O-OG 2.7Å; S380-Q382 PolarHBondContact O-N 2.92Å
381I84.1Confident88.4Confident25 Ų2570.8 Ų70.813%0.12837%0.368CS..THydrogen-bonded Turntrans-84.216.5174.860.2168.2000113.5V359 F360 E363 D377 L378 Q379 M383V359-I381 HydrophobicContact CG1-CB 4.08Å; V359-I381 HydrophobicContact CG1-CD1 4.42Å; F360-I381 HydrophobicContact CD1-CD1 4.1Å; F360-I381 HydrophobicContact CE1-CD1 3.44Å; F360-I381 VanDerWaalsContact CE1-CD1 3.44Å; F360-I381 HydrophobicContact CZ-CD1 3.97Å; E363-I381 HydrophobicContact CG-CG2 4.09Å; D377-I381 PolarHBondContact O-N 2.86Å; L378-I381 HydrophobicContact CD2-CD1 3.93Å; L378-I381 WeakPolarHBondContact O-CG1 3.4Å; Q379-I381 VanDerWaalsContact C-N 3.28Å; Q379-I381 PolarHBondContact O-N 3.46Å; I381-M383 VanDerWaalsContact C-N 3.3Å; I381-M383 HydrophobicContact CD1-CG 3.86Å; I381-M383 HydrophobicContact CD1-SD 3.58Å; I381-M383 VanDerWaalsContact CD1-SD 3.58Å; I381-M383 HydrophobicContact CG1-CG 3.92Å; I381-M383 HydrophobicContact CG1-SD 4.23Å; I381-M383 PolarHBondContact O-N 3.05Å
382Q80.7Confident88.5Confident178 Ų17871.9 Ų71.983%0.83237%0.374SS*.THydrogen-bonded Turntrans62.128.1176.7-56.4-178.3-16.500114.9Q379 S380Q379-Q382 PolarHBondContact O-N 3.49Å; Q379-Q382 VanDerWaalsContact O-N 3.11Å; S380-Q382 PolarHBondContact O-N 2.92Å
383M86.6Confident88.6Confident8 Ų868.7 Ų68.74%0.03936%0.357CS..  trans-74.1131.9172.6-69-17670.100111.8F356 F360 L378 I381 P387 R388 V391F356-M383 HydrophobicContact CD1-CE 3.97Å; F356-M383 HydrophobicContact CD1-CG 3.96Å; F356-M383 HydrophobicContact CD1-SD 4.44Å; F356-M383 HydrophobicContact CD2-CE 4.38Å; F356-M383 HydrophobicContact CE1-CE 4.29Å; F356-M383 HydrophobicContact CE1-CG 4.16Å; F356-M383 HydrophobicContact CG-CE 4.03Å; F360-M383 HydrophobicContact CE1-SD 4.28Å; F360-M383 HydrophobicContact CE2-SD 4.29Å; F360-M383 HydrophobicContact CZ-CE 4.29Å; F360-M383 HydrophobicContact CZ-SD 3.55Å; F360-M383 VanDerWaalsContact CZ-SD 3.55Å; L378-M383 HydrophobicContact CB-SD 4.35Å; L378-M383 HydrophobicContact CD2-SD 4.06Å; L378-M383 WeakPolarHBondContact O-CB 3.31Å; L378-M383 PolarHBondContact O-N 3.47Å; I381-M383 VanDerWaalsContact C-N 3.3Å; I381-M383 HydrophobicContact CD1-CG 3.86Å; I381-M383 HydrophobicContact CD1-SD 3.58Å; I381-M383 VanDerWaalsContact CD1-SD 3.58Å; I381-M383 HydrophobicContact CG1-CG 3.92Å; I381-M383 HydrophobicContact CG1-SD 4.23Å; I381-M383 PolarHBondContact O-N 3.05Å; M383-P387 HydrophobicContact CE-CB 4.1Å; M383-R388 HydrophobicContact CB-CB 4.27Å; M383-V391 HydrophobicContact CE-CG2 3.73Å
384E86.3Confident88.8Confident143 Ų14367.9 Ų67.967%0.66835%0.352SS*.  trans-67.2152.8175.9-61.2-173.5169.900112G386 P387 R388E384-G386 PolarHBondContact O-N 3.13Å; E384-G386 VanDerWaalsContact O-N 3.08Å; E384-P387 HydrophobicContact CB-CG 4.45Å; E384-P387 WeakPolarHBondContact O-CD 3.47Å; E384-R388 WeakPolarHBondContact O-CB 3.41Å; E384-R388 PolarHBondContact O-N 2.9Å
385L85.2Confident88.9Confident97 Ų9766 Ų6651%0.50834%0.339SS..Hα-helixtrans-54.8-34.3-172.9-171.267.4000113.7R388 K389L385-R388 VanDerWaalsContact CD1-NH2 3.29Å; L385-K389 WeakPolarHBondContact O-CB 3.27Å; L385-K389 VanDerWaalsContact O-CG 3.31Å; L385-K389 WeakPolarHBondContact O-CG 3.5Å; L385-K389 PolarHBondContact O-N 3.13Å; L385-K389 VanDerWaalsContact O-N 3.15Å
386G89.2Confident89.1Confident41 Ų4167.5 Ų67.542%0.42335%0.347SS..Hα-helixtrans-68.6-65.6179.700000113E384 R388 K389 K390E384-G386 PolarHBondContact O-N 3.13Å; E384-G386 VanDerWaalsContact O-N 3.08Å; G386-R388 PolarHBondContact O-N 3.08Å; G386-K389 PolarHBondContact O-N 3.01Å; G386-K390 PolarHBondContact O-N 2.87Å; G386-K390 VanDerWaalsContact O-N 3.14Å
387P90.3Very high89.1Confident27 Ų2769 Ų6918%0.17535%0.347CS..Hα-helixtrans-51.6-40.8173.5-29.436.3000113.3L353 F356 M383 E384 K389 K390 V391L353-P387 HydrophobicContact CD2-CB 3.9Å; F356-P387 HydrophobicContact CD2-CB 4.36Å; F356-P387 HydrophobicContact CE1-CB 4.39Å; F356-P387 HydrophobicContact CE2-CB 3.5Å; F356-P387 HydrophobicContact CE2-CG 3.78Å; F356-P387 HydrophobicContact CZ-CB 3.53Å; F356-P387 HydrophobicContact CZ-CG 3.6Å; M383-P387 HydrophobicContact CE-CB 4.1Å; E384-P387 HydrophobicContact CB-CG 4.45Å; E384-P387 WeakPolarHBondContact O-CD 3.47Å; P387-K389 PolarHBondContact O-N 3.41Å; P387-K390 WeakPolarHBondContact O-CB 3.36Å; P387-K390 PolarHBondContact O-N 3.42Å; P387-K390 VanDerWaalsContact O-N 3.16Å; P387-V391 WeakPolarHBondContact O-CG2 3.5Å; P387-V391 PolarHBondContact O-N 2.94Å
388R90.8Very high89.3Confident24 Ų2470.2 Ų70.29%0.09135%0.346CS..Hα-helixtrans-59.1-48.9178.5-169.2173.881.4-167.322.9112.9D375 L378 M383 E384 L385 G386 K390 V391 L392D375-R388 VanDerWaalsContact OD1-CD 3.25Å; D375-R388 WeakPolarHBondContact OD1-CD 3.33Å; D375-R388 WeakPolarHBondContact OD1-CG 3.5Å; D375-R388 IonicContact OD1-CZ 3.27Å; D375-R388 IonicContact OD1-NE 3.65Å; D375-R388 PolarHBondContact OD1-NE 3.5Å; D375-R388 IonicContact OD1-NH2 2.81Å; D375-R388 PolarHBondContact OD1-NH2 2.8Å; D375-R388 IonicContact OD2-CZ 2.73Å; D375-R388 IonicContact OD2-NE 3.8Å; D375-R388 IonicContact OD2-NH2 2.88Å; D375-R388 PolarHBondContact OD2-NH2 3.42Å; L378-R388 HydrophobicContact CB-CG 3.72Å; L378-R388 HydrophobicContact CD1-CG 4.09Å; M383-R388 HydrophobicContact CB-CB 4.27Å; E384-R388 WeakPolarHBondContact O-CB 3.41Å; E384-R388 PolarHBondContact O-N 2.9Å; L385-R388 VanDerWaalsContact CD1-NH2 3.29Å; G386-R388 PolarHBondContact O-N 3.08Å; R388-K390 VanDerWaalsContact C-N 3.3Å; R388-K390 PolarHBondContact O-N 3.08Å; R388-V391 PolarHBondContact O-N 3.2Å; R388-L392 WeakPolarHBondContact O-CG 3.48Å; R388-L392 PolarHBondContact O-N 2.8Å
389K91.3Very high89.5Confident131 Ų13173.7 Ų73.757%0.5736%0.361SS*.Hα-helixtrans-62.9-35.4175.1-77.3-178176.3-172.10112.7L385 G386 P387 N393L385-K389 WeakPolarHBondContact O-CB 3.27Å; L385-K389 VanDerWaalsContact O-CG 3.31Å; L385-K389 WeakPolarHBondContact O-CG 3.5Å; L385-K389 PolarHBondContact O-N 3.13Å; L385-K389 VanDerWaalsContact O-N 3.15Å; G386-K389 PolarHBondContact O-N 3.01Å; P387-K389 PolarHBondContact O-N 3.41Å; K389-N393 WeakPolarHBondContact O-CB 3.21Å; K389-N393 PolarHBondContact O-N 3.42Å
390K92.2Very high89.7Confident124 Ų12474.4 Ų74.454%0.53936%0.364SS..Hα-helixtrans-64.6-45.6175.8-70.8-179178.9-177.70111.6L353 G386 P387 R388 N393 A394L353-K390 HydrophobicContact CD1-CB 4.12Å; G386-K390 PolarHBondContact O-N 2.87Å; G386-K390 VanDerWaalsContact O-N 3.14Å; P387-K390 WeakPolarHBondContact O-CB 3.36Å; P387-K390 PolarHBondContact O-N 3.42Å; P387-K390 VanDerWaalsContact O-N 3.16Å; R388-K390 VanDerWaalsContact C-N 3.3Å; R388-K390 PolarHBondContact O-N 3.08Å; K390-N393 PolarHBondContact O-N 3.28Å; K390-A394 WeakPolarHBondContact O-CB 3.4Å; K390-A394 PolarHBondContact O-N 2.79Å
391V91.7Very high89.9Confident1 Ų173 Ų731%0.00636%0.358CS..Hα-helixtrans-59.5-48.8175.5173.60000111L353 L370 L378 M383 P387 R388 N393 A394 M395L353-V391 HydrophobicContact CD1-CG2 3.36Å; L370-V391 HydrophobicContact CD1-CG1 4.06Å; L370-V391 HydrophobicContact CD2-CG1 4.39Å; L370-V391 HydrophobicContact CG-CG1 4.47Å; L378-V391 HydrophobicContact CD1-CB 4.28Å; L378-V391 HydrophobicContact CD1-CG1 3.96Å; M383-V391 HydrophobicContact CE-CG2 3.73Å; P387-V391 WeakPolarHBondContact O-CG2 3.5Å; P387-V391 PolarHBondContact O-N 2.94Å; R388-V391 PolarHBondContact O-N 3.2Å; V391-N393 PolarHBondContact O-N 3.48Å; V391-A394 PolarHBondContact O-N 3.36Å; V391-M395 HydrophobicContact CG1-CG 4.23Å; V391-M395 HydrophobicContact CG1-SD 3.63Å; V391-M395 WeakPolarHBondContact O-CB 3.28Å; V391-M395 VanDerWaalsContact O-CG 3.24Å; V391-M395 WeakPolarHBondContact O-CG 3.37Å; V391-M395 PolarHBondContact O-N 3.4Å
392L92Very high90.1Very high40 Ų4077.4 Ų77.421%0.20938%0.381CS..Hα-helixtrans-60.2-45.3179.5-70.6171.9000112.3D375 L378 R388 A394 M395 D396D375-L392 HydrophobicContact CB-CD1 3.91Å; D375-L392 VanDerWaalsContact OD1-CD1 3.3Å; D375-L392 WeakPolarHBondContact OD1-CD1 3.41Å; L378-L392 HydrophobicContact CD1-CD2 3.81Å; L378-L392 HydrophobicContact CD1-CG 3.86Å; R388-L392 WeakPolarHBondContact O-CG 3.48Å; R388-L392 PolarHBondContact O-N 2.8Å; L392-A394 VanDerWaalsContact C-N 3.34Å; L392-A394 PolarHBondContact O-N 2.83Å; L392-M395 HydrophobicContact CD2-CE 4.31Å; L392-M395 HydrophobicContact CD2-SD 4.26Å; L392-M395 WeakPolarHBondContact O-CB 3.25Å; L392-M395 PolarHBondContact O-N 3.3Å; L392-D396 PolarHBondContact O-N 3.46Å
393N93.6Very high90.5Very high81 Ų8176.8 Ų76.843%0.43338%0.376SS..Hα-helixtrans-63.7-40.8176.8-166.5-34.4000111.5K389 K390 V391 D396 R397K389-N393 WeakPolarHBondContact O-CB 3.21Å; K389-N393 PolarHBondContact O-N 3.42Å; K390-N393 PolarHBondContact O-N 3.28Å; V391-N393 PolarHBondContact O-N 3.48Å; N393-D396 PolarHBondContact O-N 2.84Å; N393-R397 VanDerWaalsContact O-CG 3.31Å; N393-R397 WeakPolarHBondContact O-CG 3.26Å; N393-R397 PolarHBondContact O-N 2.93Å; N393-R397 PolarHBondContact OD1-NE 3.31Å
394A92.9Very high90.7Very high5 Ų582.6 Ų82.64%0.04141%0.407CS..Hα-helixtrans-64-40.8175.700000112.4F347 Q351 K390 V391 L392 R397 R398F347-A394 HydrophobicContact CE2-CB 4.31Å; F347-A394 HydrophobicContact CZ-CB 3.78Å; Q351-A394 VanDerWaalsContact CD-CB 3.48Å; Q351-A394 HydrophobicContact CG-CB 3.6Å; K390-A394 WeakPolarHBondContact O-CB 3.4Å; K390-A394 PolarHBondContact O-N 2.79Å; V391-A394 PolarHBondContact O-N 3.36Å; L392-A394 VanDerWaalsContact C-N 3.34Å; L392-A394 PolarHBondContact O-N 2.83Å; A394-R397 PolarHBondContact O-N 3.39Å; A394-R398 WeakPolarHBondContact O-CB 3.27Å; A394-R398 PolarHBondContact O-N 3.41Å
395M93Very high90.5Very high3 Ų380.8 Ų80.82%0.01541%0.408CS..Hα-helixtrans-60.1-46.2173.6-7216453.100110.8F347 L370 M371 V391 L392 R398 K399F347-M395 HydrophobicContact CZ-CG 4.48Å; L370-M395 HydrophobicContact CD1-SD 4.38Å; L370-M395 HydrophobicContact CG-SD 4.27Å; L370-M395 WeakPolarHBondContact O-CE 3.44Å; L370-M395 VanDerWaalsContact O-SD 3.41Å; M371-M395 HydrophobicContact SD-CB 4.05Å; M371-M395 HydrophobicContact SD-CG 3.94Å; V391-M395 HydrophobicContact CG1-CG 4.23Å; V391-M395 HydrophobicContact CG1-SD 3.63Å; V391-M395 WeakPolarHBondContact O-CB 3.28Å; V391-M395 VanDerWaalsContact O-CG 3.24Å; V391-M395 WeakPolarHBondContact O-CG 3.37Å; V391-M395 PolarHBondContact O-N 3.4Å; L392-M395 HydrophobicContact CD2-CE 4.31Å; L392-M395 HydrophobicContact CD2-SD 4.26Å; L392-M395 WeakPolarHBondContact O-CB 3.25Å; L392-M395 PolarHBondContact O-N 3.3Å; M395-R398 PolarHBondContact O-N 3.29Å; M395-K399 VanDerWaalsContact O-CG 3.32Å; M395-K399 WeakPolarHBondContact O-CG 3.23Å; M395-K399 PolarHBondContact O-N 2.87Å
396D92.6Very high90.4Very high85 Ų8579.1 Ų79.146%0.45541%0.414SS..Hα-helixtrans-64.6-43.9179.3-74-25.1000112.3L392 N393 R398 K399 Q400L392-D396 PolarHBondContact O-N 3.46Å; N393-D396 PolarHBondContact O-N 2.84Å; D396-R398 VanDerWaalsContact C-N 3.33Å; D396-R398 PolarHBondContact O-N 3.49Å; D396-K399 PolarHBondContact O-N 3.4Å; D396-Q400 VanDerWaalsContact O-CG 3.3Å; D396-Q400 WeakPolarHBondContact O-CG 3.45Å; D396-Q400 PolarHBondContact O-N 3.4Å
397R91.4Very high90Very high157 Ų15786.5 Ų86.559%0.59244%0.435SS*.Hα-helixtrans-58.5-44.9173.8-72.5174.6-173.3-164.2-4.5111.6N393 A394 Q400 A401N393-R397 VanDerWaalsContact O-CG 3.31Å; N393-R397 WeakPolarHBondContact O-CG 3.26Å; N393-R397 PolarHBondContact O-N 2.93Å; N393-R397 PolarHBondContact OD1-NE 3.31Å; A394-R397 PolarHBondContact O-N 3.39Å; R397-Q400 PolarHBondContact O-N 2.87Å; R397-A401 WeakPolarHBondContact O-CB 3.36Å; R397-A401 PolarHBondContact O-N 3.46Å
398R92.5Very high89.4Confident102 Ų10291.8 Ų91.839%0.38547%0.467SS..Hα-helixtrans-64.5-43177.2-176.3175.4179.381-0.2111.5F347 M371 A394 M395 D396 Q400 A401 L402F347-R398 HydrophobicContact CE2-CB 4.36Å; M371-R398 HydrophobicContact CE-CB 3.92Å; M371-R398 HydrophobicContact CE-CG 3.78Å; M371-R398 HydrophobicContact SD-CG 4.46Å; A394-R398 WeakPolarHBondContact O-CB 3.27Å; A394-R398 PolarHBondContact O-N 3.41Å; M395-R398 PolarHBondContact O-N 3.29Å; D396-R398 VanDerWaalsContact C-N 3.33Å; D396-R398 PolarHBondContact O-N 3.49Å; R398-Q400 VanDerWaalsContact C-N 3.32Å; R398-Q400 PolarHBondContact O-N 2.86Å; R398-A401 PolarHBondContact O-N 3.35Å; R398-L402 HydrophobicContact CG-CD1 4.3Å; R398-L402 WeakPolarHBondContact O-CG 3.2Å; R398-L402 PolarHBondContact O-N 2.78Å
399K91.4Very high88.8Confident74 Ų7495.7 Ų95.732%0.32249%0.494SS..Hα-helixtrans-59.7-41.8174.4-73.9175.4-175.4172.20111.6M371 M395 D396 L402 K403M371-K399 HydrophobicContact CE-CB 4.46Å; M371-K399 HydrophobicContact CE-CD 4.41Å; M371-K399 HydrophobicContact CE-CG 3.45Å; M371-K399 VanDerWaalsContact CE-CG 3.45Å; M371-K399 WeakPolarHBondContact O-CE 3.42Å; M371-K399 PolarHBondContact O-NZ 2.93Å; M395-K399 VanDerWaalsContact O-CG 3.32Å; M395-K399 WeakPolarHBondContact O-CG 3.23Å; M395-K399 PolarHBondContact O-N 2.87Å; D396-K399 PolarHBondContact O-N 3.4Å; K399-L402 PolarHBondContact O-N 3.19Å; K399-K403 WeakPolarHBondContact O-CG 3.22Å; K399-K403 PolarHBondContact O-N 2.85Å
400Q91.3Very high88.1Confident126 Ų12697 Ų9759%0.58951%0.507SS*.Hα-helixtrans-66-42.5177.3-72.3173.57.900112D396 R397 R398 L402 K403 N404D396-Q400 VanDerWaalsContact O-CG 3.3Å; D396-Q400 WeakPolarHBondContact O-CG 3.45Å; D396-Q400 PolarHBondContact O-N 3.4Å; R397-Q400 PolarHBondContact O-N 2.87Å; R398-Q400 VanDerWaalsContact C-N 3.32Å; R398-Q400 PolarHBondContact O-N 2.86Å; Q400-L402 VanDerWaalsContact C-N 3.33Å; Q400-L402 PolarHBondContact O-N 3.42Å; Q400-K403 PolarHBondContact O-N 3.39Å; Q400-N404 PolarHBondContact O-N 3.3Å
401A89.1Confident87.2Confident61 Ų6196.9 Ų96.950%0.50452%0.516SS..Hα-helixtrans-63.6-37.3175.600000112.5R397 R398 N404R397-A401 WeakPolarHBondContact O-CB 3.36Å; R397-A401 PolarHBondContact O-N 3.46Å; R398-A401 PolarHBondContact O-N 3.35Å; A401-N404 CarbonylContact O-C 3.56Å; A401-N404 VanDerWaalsContact O-C 3.25Å
402L87.8Confident85.9Confident117 Ų117108.7 Ų108.761%0.61356%0.561SS**Hα-helixtrans-69.1-33.9174.6-71.9171.6000112.7M371 R398 K399 Q400M371-L402 HydrophobicContact CE-CD1 4.5Å; R398-L402 HydrophobicContact CG-CD1 4.3Å; R398-L402 WeakPolarHBondContact O-CG 3.2Å; R398-L402 PolarHBondContact O-N 2.78Å; K399-L402 PolarHBondContact O-N 3.19Å; Q400-L402 VanDerWaalsContact C-N 3.33Å; Q400-L402 PolarHBondContact O-N 3.42Å
403K90.1Very high84.1Confident165 Ų165117.8 Ų117.872%0.71761%0.608SS**Hα-helixtrans-72.7-37175.3-74.8176.8-179.4-176.80112.4K399 Q400 P405K399-K403 WeakPolarHBondContact O-CG 3.22Å; K399-K403 PolarHBondContact O-N 2.85Å; Q400-K403 PolarHBondContact O-N 3.39Å; K403-P405 VanDerWaalsContact C-CD 3.45Å; K403-P405 WeakPolarHBondContact O-CD 3.32Å
404N89.6Confident83.6Confident130 Ų130119.6 Ų119.670%0.69562%0.617SS**SBendtrans-12371.4-177.3-63.4-34000110.5Q400 A401 G406Q400-N404 PolarHBondContact O-N 3.3Å; A401-N404 CarbonylContact O-C 3.56Å; A401-N404 VanDerWaalsContact O-C 3.25Å; N404-G406 PolarHBondContact O-N 2.87Å; N404-G406 VanDerWaalsContact O-N 3.1Å
405P82.9Confident83.1Confident106 Ų106125.6 Ų125.669%0.68865%0.647SS**  trans-64.8115.3173.627.8-32.4000107.7K403K403-P405 VanDerWaalsContact C-CD 3.45Å; K403-P405 WeakPolarHBondContact O-CD 3.32Å
406G82.4Confident82.6Confident62 Ų62132.4 Ų132.464%0.63968%0.683SS**  trans-57.9170.3-179.700000112.6N404 T408N404-G406 PolarHBondContact O-N 2.87Å; N404-G406 VanDerWaalsContact O-N 3.1Å; G406-T408 PolarHBondContact O-N 3.16Å; G406-T408 VanDerWaalsContact O-N 3.07Å
407K81.3Confident82Confident195 Ų195135.2 Ų135.285%0.84870%0.696SS**  trans-64.9112.2177.3-170.2176.6-177179.90109.7T409K407-T409 HydrophobicContact CG-CG2 4.48Å; K407-T409 PolarHBondContact O-N 3.13Å
408T78Confident81.4Confident138 Ų138133.9 Ų133.985%0.84770%0.702SS**  trans-67.3117.5172.1510000109G406G406-T408 PolarHBondContact O-N 3.16Å; G406-T408 VanDerWaalsContact O-N 3.07Å
409T77.8Confident80.6Confident107 Ų107136 Ų13666%0.65672%0.724SS**  trans-115.6126.3173.953.60000109.1K407 T411K407-T409 HydrophobicContact CG-CG2 4.48Å; K407-T409 PolarHBondContact O-N 3.13Å; T409-T411 PolarHBondContact O-N 2.8Å
410D77.7Confident79.9Confident158 Ų158140.4 Ų140.485%0.84575%0.752SS**  trans-60.1120.7173.2-71-27.9000109.4R412D410-R412 PolarHBondContact O-N 3.46Å
411T71.6Confident79Confident121 Ų121141.5 Ų141.574%0.74277%0.765SS**  trans-65101.8166.841.30000107.1T409 L413T409-T411 PolarHBondContact O-N 2.8Å; T411-L413 PolarHBondContact O-N 3.17Å
412R64.7Low78.2Confident249 Ų249148.3 Ų148.394%0.9479%0.787SS**  trans-65.2102168.1-70.3-176.7177.2179.6-1.5107D410D410-R412 PolarHBondContact O-N 3.46Å
413L53.9Low77.3Confident231 Ų231151.1 Ų151.1100%1.20980%0.802SS**  trans-77.30172.9-81.8160.8000110.8T411T411-L413 PolarHBondContact O-N 3.17Å

Retrieved 413 of 413 residues in 96.7 ms (Link to these results)

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