A0A087YLM1_POEFO Loading...

Espin like

AlphaFold DB , UniProt , Accession A0A087YLM1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,025 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
1M72.7Confident87.7Confident207 Ų20776.5 Ų76.5100%1.0235%0.351SS*.  0-58.70-70-157.8-71.600113.1L3 H4 R5M1-L3 PolarHBondContact O-N 2.65Å; M1-H4 PolarHBondContact O-N 3.05Å; M1-H4 VanDerWaalsContact O-N 3.1Å; M1-R5 PolarHBondContact O-N 3.14Å; M1-R5 VanDerWaalsContact O-N 3.12Å
2V79.2Confident88.1Confident54 Ų5477.9 Ų77.933%0.32736%0.364SS..Hα-helixtrans-47.9-55-176.71780000113.3H4 R5 A6 L21 Q26 I31V2-H4 VanDerWaalsContact C-N 3.34Å; V2-H4 PolarHBondContact O-N 3.3Å; V2-R5 PolarHBondContact O-N 3.41Å; V2-A6 PolarHBondContact O-N 3.32Å; V2-L21 HydrophobicContact CG1-CD2 4.5Å; V2-Q26 HydrophobicContact CG1-CB 3.83Å; V2-Q26 VanDerWaalsContact CG1-O 3.24Å; V2-Q26 WeakPolarHBondContact CG1-O 3.46Å; V2-I31 HydrophobicContact CG1-CD1 4.26Å
3L82.4Confident88.5Confident72 Ų7275.3 Ų75.338%0.37736%0.364SS..Hα-helixtrans-45.5-52.8175.116960.9000113.4M1 R5 A6 I7 I31 C32M1-L3 PolarHBondContact O-N 2.65Å; L3-R5 VanDerWaalsContact C-N 3.33Å; L3-R5 PolarHBondContact O-N 3.17Å; L3-A6 PolarHBondContact O-N 3.43Å; L3-I7 HydrophobicContact CD1-CD1 3.49Å; L3-I7 VanDerWaalsContact CD1-CD1 3.49Å; L3-I7 HydrophobicContact CD1-CG1 4.11Å; L3-I7 HydrophobicContact CG-CD1 4.41Å; L3-I7 PolarHBondContact O-N 3.41Å; L3-I31 HydrophobicContact CB-CG2 4.24Å; L3-I31 HydrophobicContact CD1-CG2 3.47Å; L3-I31 VanDerWaalsContact CD1-CG2 3.47Å; L3-I31 HydrophobicContact CG-CG2 4.48Å; L3-C32 WeakPolarHBondContact CD1-O 3.35Å; L3-C32 WeakPolarHBondContact CD2-O 3.32Å
4H85Confident88.9Confident135 Ų13574.4 Ų74.463%0.62536%0.362SS*.Hα-helixtrans-64-37-179.7-171.8-47000111.9M1 V2 Q8M1-H4 PolarHBondContact O-N 3.05Å; M1-H4 VanDerWaalsContact O-N 3.1Å; V2-H4 VanDerWaalsContact C-N 3.34Å; V2-H4 PolarHBondContact O-N 3.3Å; H4-Q8 WeakPolarHBondContact O-CB 3.49Å; H4-Q8 PolarHBondContact O-N 3.17Å
5R89.8Confident89.2Confident183 Ų18373.6 Ų73.669%0.69136%0.36SS*.Hα-helixtrans-67.7-43.2174.7-86-172.7164.9-175.8-5.4112M1 V2 L3 A9 L21M1-R5 PolarHBondContact O-N 3.14Å; M1-R5 VanDerWaalsContact O-N 3.12Å; V2-R5 PolarHBondContact O-N 3.41Å; L3-R5 VanDerWaalsContact C-N 3.33Å; L3-R5 PolarHBondContact O-N 3.17Å; R5-A9 VanDerWaalsContact O-CB 3.25Å; R5-A9 WeakPolarHBondContact O-CB 3.49Å; R5-A9 PolarHBondContact O-N 3.47Å; R5-L21 HydrophobicContact CB-CD1 4.2Å
6A89.9Confident89.4Confident0 Ų075.6 Ų75.60%038%0.378CS..Hα-helixtrans-64.6-47-179.200000111.9V2 L3 A10 L21 L27 I31 P39V2-A6 PolarHBondContact O-N 3.32Å; L3-A6 PolarHBondContact O-N 3.43Å; A6-A10 WeakPolarHBondContact O-CB 3.46Å; A6-A10 PolarHBondContact O-N 2.89Å; A6-A10 VanDerWaalsContact O-N 3.15Å; A6-L21 HydrophobicContact CB-CD1 4.03Å; A6-L27 HydrophobicContact CB-CD2 3.9Å; A6-I31 HydrophobicContact CB-CG2 4.22Å; A6-P39 HydrophobicContact CB-CG 4.18Å
7I90.9Very high89.5Confident18 Ų1872.8 Ų72.89%0.09237%0.369CS..Hα-helixtrans-66.4-44.5176.6-73.5-179.8000111.2L3 A9 A10 R11 D33 H42L3-I7 HydrophobicContact CD1-CD1 3.49Å; L3-I7 VanDerWaalsContact CD1-CD1 3.49Å; L3-I7 HydrophobicContact CD1-CG1 4.11Å; L3-I7 HydrophobicContact CG-CD1 4.41Å; L3-I7 PolarHBondContact O-N 3.41Å; I7-A9 PolarHBondContact O-N 3.1Å; I7-A10 PolarHBondContact O-N 3.17Å; I7-R11 WeakPolarHBondContact O-CG 3.49Å; I7-R11 PolarHBondContact O-N 3.46Å; I7-R11 VanDerWaalsContact O-N 3.11Å; I7-D33 HydrophobicContact CD1-CB 3.87Å; I7-H42 HydrophobicContact CG2-CB 4.37Å
8Q93.1Very high89.6Confident59 Ų5968.8 Ų68.828%0.27635%0.349SS..Hα-helixtrans-64.7-42.8-179.1-167.561.429.500111.7H4 A10 R11 D12H4-Q8 WeakPolarHBondContact O-CB 3.49Å; H4-Q8 PolarHBondContact O-N 3.17Å; Q8-A10 VanDerWaalsContact C-N 3.32Å; Q8-A10 PolarHBondContact O-N 3.26Å; Q8-R11 PolarHBondContact O-N 3.07Å; Q8-R11 VanDerWaalsContact O-N 3.11Å; Q8-D12 WeakPolarHBondContact CG-OD2 3.31Å; Q8-D12 PolarHBondContact NE2-OD1 3.03Å; Q8-D12 PolarHBondContact NE2-OD2 3.39Å; Q8-D12 WeakPolarHBondContact O-CB 3.39Å; Q8-D12 PolarHBondContact O-N 3.04Å
9A94.1Very high89.7Confident7 Ų772.7 Ų72.76%0.05836%0.359CS..Hα-helixtrans-60.9-38.3175.100000112.8R5 I7 R11 A13 D14 A17 L18R5-A9 VanDerWaalsContact O-CB 3.25Å; R5-A9 WeakPolarHBondContact O-CB 3.49Å; R5-A9 PolarHBondContact O-N 3.47Å; I7-A9 PolarHBondContact O-N 3.1Å; A9-R11 VanDerWaalsContact C-N 3.32Å; A9-R11 PolarHBondContact O-N 2.96Å; A9-A13 PolarHBondContact O-N 3.06Å; A9-A13 VanDerWaalsContact O-N 3.15Å; A9-D14 HydrophobicContact CB-CB 4.14Å; A9-D14 PolarHBondContact O-N 2.66Å; A9-A17 HydrophobicContact CB-CB 3.82Å; A9-L18 HydrophobicContact CB-CD2 3.82Å; A9-L18 HydrophobicContact CB-CG 3.9Å
10A93.8Very high89.8Confident0 Ų072.7 Ų72.70%037%0.366CS..Hα-helixtrans-66.8-28.6175.100000113.7A6 I7 Q8 P39 H42 A43 R48 L55A6-A10 WeakPolarHBondContact O-CB 3.46Å; A6-A10 PolarHBondContact O-N 2.89Å; A6-A10 VanDerWaalsContact O-N 3.15Å; I7-A10 PolarHBondContact O-N 3.17Å; Q8-A10 VanDerWaalsContact C-N 3.32Å; Q8-A10 PolarHBondContact O-N 3.26Å; A10-P39 HydrophobicContact CB-CB 4.08Å; A10-P39 WeakPolarHBondContact CB-O 3.46Å; A10-H42 HydrophobicContact CB-CB 4.46Å; A10-A43 HydrophobicContact CB-CB 4.36Å; A10-R48 WeakPolarHBondContact O-CG 3.27Å; A10-L55 HydrophobicContact CB-CD1 4.2Å
11R93.6Very high89.8Confident106 Ų10669.7 Ų69.740%0.435%0.351SS..Hα-helixtrans-81.9-39.6175.6-64.1171.470.7-157.15.6112.4I7 Q8 A9 A13 H42 R48I7-R11 WeakPolarHBondContact O-CG 3.49Å; I7-R11 PolarHBondContact O-N 3.46Å; I7-R11 VanDerWaalsContact O-N 3.11Å; Q8-R11 PolarHBondContact O-N 3.07Å; Q8-R11 VanDerWaalsContact O-N 3.11Å; A9-R11 VanDerWaalsContact C-N 3.32Å; A9-R11 PolarHBondContact O-N 2.96Å; R11-A13 VanDerWaalsContact C-N 3.3Å; R11-A13 PolarHBondContact O-N 3.39Å; R11-H42 HydrophobicContact CG-CB 3.91Å; R11-R48 PolarHBondContact O-NE 3.1Å; R11-R48 PolarHBondContact O-NH2 3.41Å
12D93.1Very high90.5Very high94 Ų9461.1 Ų61.150%0.50331%0.313SS..Hα-helixtrans-85.4-2-174.9-64.5-11.9000113.5Q8Q8-D12 WeakPolarHBondContact CG-OD2 3.31Å; Q8-D12 PolarHBondContact NE2-OD1 3.03Å; Q8-D12 PolarHBondContact NE2-OD2 3.39Å; Q8-D12 WeakPolarHBondContact O-CB 3.39Å; Q8-D12 PolarHBondContact O-N 3.04Å
13A92.9Very high90.9Very high44 Ų4463.5 Ų63.536%0.36433%0.332SS..THydrogen-bonded Turntrans68.624.6-175.600000115.6A9 R11 L15 R48 C51A9-A13 PolarHBondContact O-N 3.06Å; A9-A13 VanDerWaalsContact O-N 3.15Å; R11-A13 VanDerWaalsContact C-N 3.3Å; R11-A13 PolarHBondContact O-N 3.39Å; A13-L15 PolarHBondContact O-N 2.81Å; A13-R48 HydrophobicContact CB-CG 4.44Å; A13-C51 VanDerWaalsContact CA-SG 3.53Å
14D93.9Very high91.2Very high63 Ų6363 Ų6334%0.33733%0.334SS..  trans-8181.7-179.8-171.1-4.3000112.3A9 T16 A17 L18A9-D14 HydrophobicContact CB-CB 4.14Å; A9-D14 PolarHBondContact O-N 2.66Å; D14-T16 PolarHBondContact O-N 2.98Å; D14-T16 WeakPolarHBondContact OD1-CA 3.42Å; D14-T16 WeakPolarHBondContact OD1-CB 3.32Å; D14-T16 PolarHBondContact OD1-N 2.84Å; D14-T16 PolarHBondContact OD1-OG1 3.37Å; D14-A17 HydrophobicContact CB-CB 4.14Å; D14-A17 VanDerWaalsContact CG-CB 3.47Å; D14-A17 PolarHBondContact O-N 3.18Å; D14-A17 PolarHBondContact OD1-N 2.96Å; D14-A17 WeakPolarHBondContact OD2-CB 3.46Å; D14-L18 WeakPolarHBondContact O-CG 3.37Å; D14-L18 PolarHBondContact O-N 3.16Å
15L93Very high91Very high62 Ų6259.7 Ų59.733%0.32534%0.337SS..Hα-helixtrans-54.2-27.3170.5-62.8170.4000113A13 R19 D50 C51 L54A13-L15 PolarHBondContact O-N 2.81Å; L15-R19 WeakPolarHBondContact O-CB 3.3Å; L15-R19 WeakPolarHBondContact O-CG 3.48Å; L15-R19 PolarHBondContact O-N 3.41Å; L15-D50 HydrophobicContact CD1-CB 4.22Å; L15-D50 HydrophobicContact CD2-CB 4.27Å; L15-C51 HydrophobicContact CD2-CB 4.3Å; L15-C51 VanDerWaalsContact CD2-SG 3.53Å; L15-L54 HydrophobicContact CB-CD2 4.3Å; L15-L54 HydrophobicContact CD2-CB 4.05Å; L15-L54 HydrophobicContact CD2-CD2 3.62Å; L15-L54 HydrophobicContact CD2-CG 4.45Å
16T93.1Very high90.7Very high106 Ų10655.1 Ų55.165%0.6532%0.324SS*.Hα-helixtrans-79.5-42.4-176.876.20000111.5D14 R19 S20D14-T16 PolarHBondContact O-N 2.98Å; D14-T16 WeakPolarHBondContact OD1-CA 3.42Å; D14-T16 WeakPolarHBondContact OD1-CB 3.32Å; D14-T16 PolarHBondContact OD1-N 2.84Å; D14-T16 PolarHBondContact OD1-OG1 3.37Å; T16-R19 PolarHBondContact O-N 3.04Å; T16-S20 VanDerWaalsContact O-CB 3.3Å; T16-S20 WeakPolarHBondContact O-CB 3.26Å; T16-S20 PolarHBondContact O-N 2.84Å
17A91.6Very high90.4Very high28 Ų2856.3 Ų56.323%0.23133%0.33CS..Hα-helixtrans-64.7-41.4170.700000111.5A9 D14 S20 L21A9-A17 HydrophobicContact CB-CB 3.82Å; D14-A17 HydrophobicContact CB-CB 4.14Å; D14-A17 VanDerWaalsContact CG-CB 3.47Å; D14-A17 PolarHBondContact O-N 3.18Å; D14-A17 PolarHBondContact OD1-N 2.96Å; D14-A17 WeakPolarHBondContact OD2-CB 3.46Å; A17-S20 PolarHBondContact O-N 2.99Å; A17-L21 WeakPolarHBondContact O-CB 3.47Å; A17-L21 VanDerWaalsContact O-CG 3.24Å; A17-L21 WeakPolarHBondContact O-CG 3.24Å; A17-L21 PolarHBondContact O-N 3.16Å
18L91.6Very high90Very high0 Ų057.8 Ų57.80%034%0.342CS..Hα-helixtrans-61-47.1175-69.3179.8000111.9A9 D14 S20 L21 A22 L27 C51 L54 L55A9-L18 HydrophobicContact CB-CD2 3.82Å; A9-L18 HydrophobicContact CB-CG 3.9Å; D14-L18 WeakPolarHBondContact O-CG 3.37Å; D14-L18 PolarHBondContact O-N 3.16Å; L18-S20 VanDerWaalsContact C-N 3.33Å; L18-S20 PolarHBondContact O-N 3.39Å; L18-L21 PolarHBondContact O-N 3.07Å; L18-A22 WeakPolarHBondContact O-CB 3.41Å; L18-A22 PolarHBondContact O-N 3.47Å; L18-L27 HydrophobicContact CD2-CD1 4.22Å; L18-L27 WeakPolarHBondContact O-CD1 3.41Å; L18-C51 HydrophobicContact CD1-CB 3.97Å; L18-L54 HydrophobicContact CB-CD2 3.62Å; L18-L54 HydrophobicContact CD1-CD2 4.07Å; L18-L55 HydrophobicContact CD1-CD1 4.3Å; L18-L55 HydrophobicContact CD1-CD2 4.3Å; L18-L55 HydrophobicContact CD1-CG 4.2Å; L18-L55 HydrophobicContact CD2-CD2 4.2Å
19R91.3Very high89.4Confident144 Ų14459.7 Ų59.754%0.54336%0.359SS..Hα-helixtrans-63.7-35.8175.5-76.9179.7168.3-174.1-3.6112.9L15 T16 A22 S23 L54 D58L15-R19 WeakPolarHBondContact O-CB 3.3Å; L15-R19 WeakPolarHBondContact O-CG 3.48Å; L15-R19 PolarHBondContact O-N 3.41Å; T16-R19 PolarHBondContact O-N 3.04Å; R19-A22 PolarHBondContact O-N 2.73Å; R19-S23 WeakPolarHBondContact O-CB 3.23Å; R19-S23 PolarHBondContact O-N 2.9Å; R19-S23 PolarHBondContact O-OG 2.8Å; R19-L54 HydrophobicContact CG-CD1 3.74Å; R19-L54 HydrophobicContact CG-CD2 3.99Å; R19-L54 VanDerWaalsContact NE-CD1 3.27Å; R19-D58 IonicContact CZ-OD2 2.81Å; R19-D58 IonicContact NE-OD2 2.65Å; R19-D58 IonicContact NH2-OD2 2.65Å; R19-D58 PolarHBondContact NH2-OD2 3.26Å
20S91.9Very high88.9Confident71 Ų7163.2 Ų63.250%0.49739%0.388SS..Hα-helixtrans-65-47.3174.2-175.90000112.2T16 A17 L18 A22 S23 S24T16-S20 VanDerWaalsContact O-CB 3.3Å; T16-S20 WeakPolarHBondContact O-CB 3.26Å; T16-S20 PolarHBondContact O-N 2.84Å; A17-S20 PolarHBondContact O-N 2.99Å; L18-S20 VanDerWaalsContact C-N 3.33Å; L18-S20 PolarHBondContact O-N 3.39Å; S20-A22 VanDerWaalsContact C-N 3.32Å; S20-A22 PolarHBondContact O-N 2.89Å; S20-S23 PolarHBondContact O-N 3.33Å; S20-S23 PolarHBondContact O-OG 3.4Å; S20-S24 PolarHBondContact O-N 3.05Å; S20-S24 VanDerWaalsContact O-N 3.13Å; S20-S24 PolarHBondContact O-OG 3.26Å
21L89.7Confident88.7Confident11 Ų1164.4 Ų64.46%0.05839%0.394CS..Hα-helixtrans-62.8-36.8175.5-69.1166.5000112.1V2 R5 A6 A17 L18 S24 Q26 L27V2-L21 HydrophobicContact CG1-CD2 4.5Å; R5-L21 HydrophobicContact CB-CD1 4.2Å; A6-L21 HydrophobicContact CB-CD1 4.03Å; A17-L21 WeakPolarHBondContact O-CB 3.47Å; A17-L21 VanDerWaalsContact O-CG 3.24Å; A17-L21 WeakPolarHBondContact O-CG 3.24Å; A17-L21 PolarHBondContact O-N 3.16Å; L18-L21 PolarHBondContact O-N 3.07Å; L21-S24 WeakPolarHBondContact CA-OG 3.41Å; L21-S24 PolarHBondContact O-OG 3.23Å; L21-S24 VanDerWaalsContact O-OG 3.13Å; L21-Q26 HydrophobicContact CD2-CB 4.15Å; L21-Q26 CarbonylContact O-C 3.57Å; L21-Q26 WeakPolarHBondContact O-CA 3.29Å; L21-Q26 WeakPolarHBondContact O-CB 3.21Å; L21-Q26 PolarHBondContact O-N 2.98Å; L21-L27 HydrophobicContact CB-CD1 3.94Å; L21-L27 HydrophobicContact CB-CG 3.99Å; L21-L27 PolarHBondContact O-N 3.17Å
22A87.4Confident88.5Confident27 Ų2761.8 Ų61.822%0.22339%0.392CS..Hα-helixtrans-64.7-50.6172.400000112.3L18 R19 S20 S24 G25 L27 L59L18-A22 WeakPolarHBondContact O-CB 3.41Å; L18-A22 PolarHBondContact O-N 3.47Å; R19-A22 PolarHBondContact O-N 2.73Å; S20-A22 VanDerWaalsContact C-N 3.32Å; S20-A22 PolarHBondContact O-N 2.89Å; A22-S24 PolarHBondContact O-N 3.22Å; A22-S24 VanDerWaalsContact O-N 3.11Å; A22-G25 PolarHBondContact O-N 3.31Å; A22-L27 HydrophobicContact CB-CD1 4.19Å; A22-L59 HydrophobicContact CB-CD1 3.75Å; A22-L59 HydrophobicContact CB-CD2 3.42Å; A22-L59 VanDerWaalsContact CB-CD2 3.42Å; A22-L59 HydrophobicContact CB-CG 4.24Å
23S87.9Confident88.5Confident103 Ų10358.9 Ų58.972%0.7238%0.376SS*.Hα-helixtrans-61.4-21.2-179.570.30000114.3R19 S20R19-S23 WeakPolarHBondContact O-CB 3.23Å; R19-S23 PolarHBondContact O-N 2.9Å; R19-S23 PolarHBondContact O-OG 2.8Å; S20-S23 PolarHBondContact O-N 3.33Å; S20-S23 PolarHBondContact O-OG 3.4Å
24S87Confident88.4Confident61 Ų6161.3 Ų61.343%0.42740%0.396SS..THydrogen-bonded Turntrans-95.45.5176.350.90000113.9S20 L21 A22 Q26S20-S24 PolarHBondContact O-N 3.05Å; S20-S24 VanDerWaalsContact O-N 3.13Å; S20-S24 PolarHBondContact O-OG 3.26Å; L21-S24 WeakPolarHBondContact CA-OG 3.41Å; L21-S24 PolarHBondContact O-OG 3.23Å; L21-S24 VanDerWaalsContact O-OG 3.13Å; A22-S24 PolarHBondContact O-N 3.22Å; A22-S24 VanDerWaalsContact O-N 3.11Å; S24-Q26 PolarHBondContact O-N 2.69Å
25G81.9Confident88.2Confident67 Ų6764.2 Ų64.269%0.69141%0.408SS*.THydrogen-bonded Turntrans69.417.8-177.300000113.9A22A22-G25 PolarHBondContact O-N 3.31Å
26Q82.3Confident88.2Confident86 Ų8662 Ų6240%0.40240%0.4SS..  trans-99.78.4-173.4-63.9-1741800113.7V2 L21 S24 I31V2-Q26 HydrophobicContact CG1-CB 3.83Å; V2-Q26 VanDerWaalsContact CG1-O 3.24Å; V2-Q26 WeakPolarHBondContact CG1-O 3.46Å; L21-Q26 HydrophobicContact CD2-CB 4.15Å; L21-Q26 CarbonylContact O-C 3.57Å; L21-Q26 WeakPolarHBondContact O-CA 3.29Å; L21-Q26 WeakPolarHBondContact O-CB 3.21Å; L21-Q26 PolarHBondContact O-N 2.98Å; S24-Q26 PolarHBondContact O-N 2.69Å; Q26-I31 WeakPolarHBondContact O-CD1 3.14Å
27L84.7Confident88.2Confident26 Ų2657 Ų5714%0.13637%0.37CS..  trans-112.1128.4167-92.6166.1000109.7A6 L18 L21 A22 P39 L55 L59A6-L27 HydrophobicContact CB-CD2 3.9Å; L18-L27 HydrophobicContact CD2-CD1 4.22Å; L18-L27 WeakPolarHBondContact O-CD1 3.41Å; L21-L27 HydrophobicContact CB-CD1 3.94Å; L21-L27 HydrophobicContact CB-CG 3.99Å; L21-L27 PolarHBondContact O-N 3.17Å; A22-L27 HydrophobicContact CB-CD1 4.19Å; L27-P39 HydrophobicContact CD2-CG 4.04Å; L27-L55 HydrophobicContact CD1-CD2 4.35Å; L27-L55 HydrophobicContact CD2-CD2 4.32Å; L27-L59 HydrophobicContact CD1-CD1 4.04Å
28S82.8Confident88.3Confident49 Ų4956.1 Ų56.134%0.34336%0.363SS..  trans-154.9158.9177.379.70000110.1A30 I31S28-A30 PolarHBondContact O-N 3.42Å; S28-A30 VanDerWaalsContact O-N 3.14Å; S28-I31 WeakPolarHBondContact O-CB 3.38Å; S28-I31 WeakPolarHBondContact O-CG1 3.47Å; S28-I31 PolarHBondContact O-N 3.41Å; S28-I31 VanDerWaalsContact O-N 3.1Å
29P80.5Confident88.4Confident98 Ų9856.3 Ų56.364%0.63637%0.365SS*.THydrogen-bonded Turntrans-68.2-10.3-178.727.4-35.4000114.2I31 L61 P62P29-I31 VanDerWaalsContact C-N 3.25Å; P29-I31 PolarHBondContact O-N 3.04Å; P29-L61 HydrophobicContact CB-CD2 4.15Å; P29-P62 HydrophobicContact CB-CG 4.2Å
30A83.8Confident88.5Confident81 Ų8149.7 Ų49.767%0.66934%0.34SS*.THydrogen-bonded Turntrans-78.8-6.717300000113.3S28 C32S28-A30 PolarHBondContact O-N 3.42Å; S28-A30 VanDerWaalsContact O-N 3.14Å; A30-C32 PolarHBondContact O-N 3.49Å
31I87.9Confident88.7Confident25 Ų2546.3 Ų46.313%0.12832%0.317CS..  trans-83.398.7179.6-60.7-178.1000109V2 L3 A6 Q26 S28 P29 G38 P39V2-I31 HydrophobicContact CG1-CD1 4.26Å; L3-I31 HydrophobicContact CB-CG2 4.24Å; L3-I31 HydrophobicContact CD1-CG2 3.47Å; L3-I31 VanDerWaalsContact CD1-CG2 3.47Å; L3-I31 HydrophobicContact CG-CG2 4.48Å; A6-I31 HydrophobicContact CB-CG2 4.22Å; Q26-I31 WeakPolarHBondContact O-CD1 3.14Å; S28-I31 WeakPolarHBondContact O-CB 3.38Å; S28-I31 WeakPolarHBondContact O-CG1 3.47Å; S28-I31 PolarHBondContact O-N 3.41Å; S28-I31 VanDerWaalsContact O-N 3.1Å; P29-I31 VanDerWaalsContact C-N 3.25Å; P29-I31 PolarHBondContact O-N 3.04Å; I31-G38 WeakPolarHBondContact O-CA 3.4Å; I31-P39 WeakPolarHBondContact O-CD 3.39Å
32C90.9Very high88.9Confident51 Ų5146.6 Ų46.635%0.34532%0.317SS..  trans-134.7155.8179.2560000111.5L3 A30 A37L3-C32 WeakPolarHBondContact CD1-O 3.35Å; L3-C32 WeakPolarHBondContact CD2-O 3.32Å; A30-C32 PolarHBondContact O-N 3.49Å; C32-A37 WeakPolarHBondContact CA-O 3.39Å
33D91.8Very high89.3Confident34 Ų3445.3 Ų45.318%0.18231%0.307CS..  trans-75.5-176.2170.562.625.1000112.5I7 Q35 G36 A37 H42I7-D33 HydrophobicContact CD1-CB 3.87Å; D33-Q35 PolarHBondContact O-N 2.74Å; D33-Q35 VanDerWaalsContact O-N 3.1Å; D33-Q35 WeakPolarHBondContact OD1-CA 3.38Å; D33-Q35 WeakPolarHBondContact OD1-CB 3.37Å; D33-Q35 PolarHBondContact OD1-N 2.84Å; D33-G36 PolarHBondContact O-N 2.95Å; D33-G36 PolarHBondContact OD1-N 3.1Å; D33-G36 VanDerWaalsContact OD1-N 3.15Å; D33-A37 PolarHBondContact N-O 3.43Å; D33-A37 PolarHBondContact OD1-N 3.1Å; D33-H42 IonicContact OD2-CD2 3.69Å; D33-H42 IonicContact OD2-CE1 2.65Å; D33-H42 PolarHBondContact OD2-CE1 3.45Å; D33-H42 IonicContact OD2-NE2 3.99Å; D33-H42 PolarHBondContact OD2-NE2 3.22Å
34A91.2Very high89.7Confident94 Ų9440.4 Ų40.478%0.77727%0.272SS*.THydrogen-bonded Turntrans-64.1-12.5179.100000113.8
35Q90.9Very high90.1Very high124 Ų12441.6 Ų41.658%0.57927%0.268SS*.THydrogen-bonded Turntrans-101.35.2176.2-6869.834.500111.8D33 A37 S68D33-Q35 PolarHBondContact O-N 2.74Å; D33-Q35 VanDerWaalsContact O-N 3.1Å; D33-Q35 WeakPolarHBondContact OD1-CA 3.38Å; D33-Q35 WeakPolarHBondContact OD1-CB 3.37Å; D33-Q35 PolarHBondContact OD1-N 2.84Å; Q35-A37 VanDerWaalsContact C-N 3.26Å; Q35-A37 PolarHBondContact O-N 2.98Å; Q35-S68 VanDerWaalsContact O-CB 3.3Å; Q35-S68 WeakPolarHBondContact O-CB 3.32Å; Q35-S68 PolarHBondContact O-N 3.16Å; Q35-S68 PolarHBondContact O-OG 3.12Å
36G91.1Very high90.7Very high16 Ų1640.5 Ų40.517%0.16525%0.249CC..SBendtrans77.45.5-178.800000114.2D33D33-G36 PolarHBondContact O-N 2.95Å; D33-G36 PolarHBondContact OD1-N 3.1Å; D33-G36 VanDerWaalsContact OD1-N 3.15Å
37A93.5Very high91.4Very high1 Ų137.6 Ų37.61%0.00824%0.242CC..  trans-84127.2-179.400000110.8C32 D33 Q35 H41 A67C32-A37 WeakPolarHBondContact CA-O 3.39Å; D33-A37 PolarHBondContact N-O 3.43Å; D33-A37 PolarHBondContact OD1-N 3.1Å; Q35-A37 VanDerWaalsContact C-N 3.26Å; Q35-A37 PolarHBondContact O-N 2.98Å; A37-H41 HydrophobicContact CB-CB 3.8Å; A37-A67 HydrophobicContact CB-CB 4.3Å
38G93.4Very high91.9Very high10 Ų1040.8 Ų40.810%0.10325%0.252CS..  trans-94.2178.7-17900000113.6I31 V40 H41 H42I31-G38 WeakPolarHBondContact O-CA 3.4Å; G38-V40 PolarHBondContact O-N 2.95Å; G38-V40 VanDerWaalsContact O-N 3.08Å; G38-H41 PolarHBondContact N-ND1 2.89Å; G38-H41 WeakPolarHBondContact O-CB 3.33Å; G38-H41 PolarHBondContact O-N 2.95Å; G38-H41 VanDerWaalsContact O-N 3.07Å; G38-H42 PolarHBondContact O-CD2 2.88Å; G38-H42 PolarHBondContact O-N 2.95Å; G38-H42 VanDerWaalsContact O-N 3.13Å
39P93.8Very high92.5Very high4 Ų439.4 Ų39.43%0.02624%0.241CC..Hα-helixtrans-50.6-33.1175.4-30.636.1000114.4A6 A10 L27 I31 H42 A43 L55A6-P39 HydrophobicContact CB-CG 4.18Å; A10-P39 HydrophobicContact CB-CB 4.08Å; A10-P39 WeakPolarHBondContact CB-O 3.46Å; L27-P39 HydrophobicContact CD2-CG 4.04Å; I31-P39 WeakPolarHBondContact O-CD 3.39Å; P39-H42 PolarHBondContact O-N 3.29Å; P39-A43 WeakPolarHBondContact O-CB 3.49Å; P39-A43 PolarHBondContact O-N 3.07Å; P39-L55 HydrophobicContact CB-CD1 3.77Å; P39-L55 HydrophobicContact CB-CD2 3.88Å; P39-L55 WeakPolarHBondContact O-CD1 3.34Å
40V94.3Very high93.2Very high4 Ų439.5 Ų39.52%0.02424%0.236CC..Hα-helixtrans-63.2-49.8177.2-173.30000111G38 H42 A43 A44 L52 L55 V56 L61 A73G38-V40 PolarHBondContact O-N 2.95Å; G38-V40 VanDerWaalsContact O-N 3.08Å; V40-H42 VanDerWaalsContact C-N 3.34Å; V40-H42 PolarHBondContact O-N 3.39Å; V40-A43 PolarHBondContact O-N 2.92Å; V40-A44 WeakPolarHBondContact O-CB 3.36Å; V40-A44 PolarHBondContact O-N 3.29Å; V40-L52 HydrophobicContact CG1-CD1 3.61Å; V40-L52 WeakPolarHBondContact O-CD1 3.33Å; V40-L55 HydrophobicContact CG2-CB 4.26Å; V40-V56 HydrophobicContact CG1-CG2 3.84Å; V40-V56 HydrophobicContact CG2-CG2 4.21Å; V40-L61 HydrophobicContact CG2-CB 3.88Å; V40-L61 HydrophobicContact CG2-CD1 4.33Å; V40-A73 HydrophobicContact CG1-CB 3.75Å
41H95.1Very high93.7Very high1 Ų135.7 Ų35.71%0.00521%0.205CC..Hα-helixtrans-56.7-46.1173.3-62.886000111.8A37 G38 A44 R45 S65 A71 D76A37-H41 HydrophobicContact CB-CB 3.8Å; G38-H41 PolarHBondContact N-ND1 2.89Å; G38-H41 WeakPolarHBondContact O-CB 3.33Å; G38-H41 PolarHBondContact O-N 2.95Å; G38-H41 VanDerWaalsContact O-N 3.07Å; H41-A44 PolarHBondContact O-N 3.34Å; H41-R45 WeakPolarHBondContact O-CB 3.23Å; H41-R45 PolarHBondContact O-N 3.03Å; H41-S65 PolarHBondContact CE1-O 3.29Å; H41-S65 PolarHBondContact NE2-O 2.85Å; H41-S65 VanDerWaalsContact NE2-O 3.08Å; H41-A71 PolarHBondContact NE2-O 2.84Å; H41-A71 VanDerWaalsContact NE2-O 3.1Å; H41-D76 WeakPolarHBondContact CB-OD2 3.46Å; H41-D76 IonicContact CD2-OD2 3.17Å; H41-D76 PolarHBondContact CD2-OD2 3.48Å; H41-D76 IonicContact CG-OD2 2.68Å
42H95.3Very high94Very high16 Ų1634.5 Ų34.57%0.07420%0.199CC..Hα-helixtrans-68-37.2-178.5-78.4-83.8000113I7 A10 R11 D33 G38 P39 V40 C46I7-H42 HydrophobicContact CG2-CB 4.37Å; A10-H42 HydrophobicContact CB-CB 4.46Å; R11-H42 HydrophobicContact CG-CB 3.91Å; D33-H42 IonicContact OD2-CD2 3.69Å; D33-H42 IonicContact OD2-CE1 2.65Å; D33-H42 PolarHBondContact OD2-CE1 3.45Å; D33-H42 IonicContact OD2-NE2 3.99Å; D33-H42 PolarHBondContact OD2-NE2 3.22Å; G38-H42 PolarHBondContact O-CD2 2.88Å; G38-H42 PolarHBondContact O-N 2.95Å; G38-H42 VanDerWaalsContact O-N 3.13Å; P39-H42 PolarHBondContact O-N 3.29Å; V40-H42 VanDerWaalsContact C-N 3.34Å; V40-H42 PolarHBondContact O-N 3.39Å; H42-C46 VanDerWaalsContact O-CB 3.28Å; H42-C46 WeakPolarHBondContact O-CB 3.48Å; H42-C46 PolarHBondContact O-N 2.85Å; H42-C46 VanDerWaalsContact O-N 3.08Å
43A95.7Very high94.2Very high0 Ų035.3 Ų35.30%020%0.197CC..Hα-helixtrans-65.8-43.9172.700000112A10 P39 V40 C46 G47 R48 C51 L52 L55A10-A43 HydrophobicContact CB-CB 4.36Å; P39-A43 WeakPolarHBondContact O-CB 3.49Å; P39-A43 PolarHBondContact O-N 3.07Å; V40-A43 PolarHBondContact O-N 2.92Å; A43-C46 PolarHBondContact O-N 3.42Å; A43-G47 PolarHBondContact O-N 3.35Å; A43-R48 HydrophobicContact CB-CB 4.24Å; A43-R48 PolarHBondContact O-N 3.35Å; A43-C51 HydrophobicContact CB-CB 4.16Å; A43-L52 HydrophobicContact CB-CB 4.3Å; A43-L52 HydrophobicContact CB-CD1 4.19Å; A43-L55 HydrophobicContact CB-CD1 4.02Å
44A96.1Very high94.3Very high0 Ų033.9 Ų33.90%019%0.19CC..Hα-helixtrans-66.7-39.4177.900000112.7V40 H41 C46 L52 A73 A77 N82 L89V40-A44 WeakPolarHBondContact O-CB 3.36Å; V40-A44 PolarHBondContact O-N 3.29Å; H41-A44 PolarHBondContact O-N 3.34Å; A44-C46 VanDerWaalsContact C-N 3.33Å; A44-C46 PolarHBondContact O-N 3.47Å; A44-L52 HydrophobicContact CB-CD1 4.06Å; A44-L52 HydrophobicContact CB-CD2 4.22Å; A44-A73 HydrophobicContact CB-CB 3.94Å; A44-A73 WeakPolarHBondContact CB-O 3.18Å; A44-A77 HydrophobicContact CB-CB 4.35Å; A44-N82 PolarHBondContact O-ND2 3.32Å; A44-L89 HydrophobicContact CB-CD1 4.31Å
45R95.1Very high94.3Very high86 Ų8629.4 Ų29.433%0.32515%0.153SC..Hα-helixtrans-68.5-28.5175.4-166-175.7-67.2149.64.3112.8H41 D76 T80 N82H41-R45 WeakPolarHBondContact O-CB 3.23Å; H41-R45 PolarHBondContact O-N 3.03Å; R45-D76 HydrophobicContact CB-CB 4.08Å; R45-D76 IonicContact CZ-OD1 2.76Å; R45-D76 IonicContact CZ-OD2 3.64Å; R45-D76 IonicContact NE-OD1 3.31Å; R45-D76 PolarHBondContact NE-OD1 3.05Å; R45-D76 IonicContact NE-OD2 2.72Å; R45-D76 IonicContact NH2-OD1 2.74Å; R45-D76 PolarHBondContact NH2-OD1 3.46Å; R45-D76 IonicContact NH2-OD2 2.78Å; R45-D76 PolarHBondContact NH2-OD2 2.97Å; R45-T80 HydrophobicContact CG-CG2 3.65Å; R45-N82 VanDerWaalsContact C-ND2 3.29Å; R45-N82 PolarHBondContact O-ND2 3.33Å
46C95.6Very high94.4Very high44 Ų4424 Ų2430%0.29713%0.128SC..THydrogen-bonded Turntrans-99.98.2-178.5-71.30000115.1H42 A43 A44 R48H42-C46 VanDerWaalsContact O-CB 3.28Å; H42-C46 WeakPolarHBondContact O-CB 3.48Å; H42-C46 PolarHBondContact O-N 2.85Å; H42-C46 VanDerWaalsContact O-N 3.08Å; A43-C46 PolarHBondContact O-N 3.42Å; A44-C46 VanDerWaalsContact C-N 3.33Å; A44-C46 PolarHBondContact O-N 3.47Å; C46-R48 HydrophobicContact CB-CG 3.89Å; C46-R48 VanDerWaalsContact O-CD 3.26Å; C46-R48 WeakPolarHBondContact O-CD 3.35Å; C46-R48 PolarHBondContact O-NE 3.06Å
47G95.8Very high94.4Very high25 Ų2526.4 Ų26.426%0.25814%0.142SC..THydrogen-bonded Turntrans6645.2176.700000112.6A43 N82 E85A43-G47 PolarHBondContact O-N 3.35Å; G47-N82 PolarHBondContact N-ND2 3.1Å; G47-E85 WeakPolarHBondContact CA-OE1 3.15Å
48R96.4Very high94.1Very high94 Ų9431.1 Ų31.136%0.35517%0.167SC..  trans-114.159.2-173.6-51-48.5-161.4-170.75.8112.2A10 R11 A13 A43 C46 D50 C51 L52 E85A10-R48 WeakPolarHBondContact O-CG 3.27Å; R11-R48 PolarHBondContact O-NE 3.1Å; R11-R48 PolarHBondContact O-NH2 3.41Å; A13-R48 HydrophobicContact CB-CG 4.44Å; A43-R48 HydrophobicContact CB-CB 4.24Å; A43-R48 PolarHBondContact O-N 3.35Å; C46-R48 HydrophobicContact CB-CG 3.89Å; C46-R48 VanDerWaalsContact O-CD 3.26Å; C46-R48 WeakPolarHBondContact O-CD 3.35Å; C46-R48 PolarHBondContact O-NE 3.06Å; R48-D50 PolarHBondContact O-N 2.88Å; R48-D50 VanDerWaalsContact O-N 3.12Å; R48-C51 HydrophobicContact CB-CB 3.96Å; R48-C51 WeakPolarHBondContact O-CA 3.29Å; R48-C51 WeakPolarHBondContact O-CB 3.24Å; R48-C51 PolarHBondContact O-N 3.12Å; R48-L52 PolarHBondContact O-N 3.25Å; R48-E85 PolarHBondContact N-OE1 3.44Å
49L95.1Very high93.8Very high19 Ų1933.5 Ų33.510%0.09918%0.178CC..Hα-helixtrans-43.4-46.2179.7-175.463000114.1C51 L52 Q53 E85 W88L49-C51 VanDerWaalsContact C-N 3.33Å; L49-C51 PolarHBondContact O-N 3.29Å; L49-L52 WeakPolarHBondContact O-CB 3.25Å; L49-L52 PolarHBondContact O-N 3.21Å; L49-L52 VanDerWaalsContact O-N 3.14Å; L49-Q53 HydrophobicContact CD1-CG 4.37Å; L49-Q53 WeakPolarHBondContact O-CB 3.39Å; L49-Q53 WeakPolarHBondContact O-CG 3.4Å; L49-Q53 PolarHBondContact O-N 2.98Å; L49-E85 HydrophobicContact CB-CG 4.29Å; L49-E85 WeakPolarHBondContact CB-OE1 3.39Å; L49-E85 PolarHBondContact N-OE1 3.13Å; L49-W88 HydrophobicContact CD1-CB 3.59Å; L49-W88 HydrophobicContact CD1-CD2 4.04Å; L49-W88 HydrophobicContact CD1-CG 3.59Å
50D95.4Very high93.4Very high101 Ų10136.3 Ų36.354%0.5421%0.207SC..Hα-helixtrans-65.7-36.6-177.8-52.1-24.9000111.9L15 R48 L54L15-D50 HydrophobicContact CD1-CB 4.22Å; L15-D50 HydrophobicContact CD2-CB 4.27Å; R48-D50 PolarHBondContact O-N 2.88Å; R48-D50 VanDerWaalsContact O-N 3.12Å; D50-L54 WeakPolarHBondContact O-CB 3.22Å; D50-L54 PolarHBondContact O-N 3.16Å
51C94.1Very high93.2Very high1 Ų136.8 Ų36.81%0.00721%0.209CC..Hα-helixtrans-72.7-34.7173.2-66.70000111.7A13 L15 L18 A43 R48 L49 L54 L55A13-C51 VanDerWaalsContact CA-SG 3.53Å; L15-C51 HydrophobicContact CD2-CB 4.3Å; L15-C51 VanDerWaalsContact CD2-SG 3.53Å; L18-C51 HydrophobicContact CD1-CB 3.97Å; A43-C51 HydrophobicContact CB-CB 4.16Å; R48-C51 HydrophobicContact CB-CB 3.96Å; R48-C51 WeakPolarHBondContact O-CA 3.29Å; R48-C51 WeakPolarHBondContact O-CB 3.24Å; R48-C51 PolarHBondContact O-N 3.12Å; L49-C51 VanDerWaalsContact C-N 3.33Å; L49-C51 PolarHBondContact O-N 3.29Å; C51-L54 PolarHBondContact O-N 2.85Å; C51-L55 VanDerWaalsContact O-CB 3.28Å; C51-L55 WeakPolarHBondContact O-CB 3.38Å; C51-L55 WeakPolarHBondContact O-CD1 3.38Å; C51-L55 WeakPolarHBondContact O-CG 3.27Å; C51-L55 PolarHBondContact O-N 3.42Å
52L94.3Very high92.9Very high0 Ų039.9 Ų39.90%023%0.229CC..Hα-helixtrans-65.7-45.2177.4-166.663.2000110.8V40 A43 A44 R48 L49 L55 V56 E85 W88 L89V40-L52 HydrophobicContact CG1-CD1 3.61Å; V40-L52 WeakPolarHBondContact O-CD1 3.33Å; A43-L52 HydrophobicContact CB-CB 4.3Å; A43-L52 HydrophobicContact CB-CD1 4.19Å; A44-L52 HydrophobicContact CB-CD1 4.06Å; A44-L52 HydrophobicContact CB-CD2 4.22Å; R48-L52 PolarHBondContact O-N 3.25Å; L49-L52 WeakPolarHBondContact O-CB 3.25Å; L49-L52 PolarHBondContact O-N 3.21Å; L49-L52 VanDerWaalsContact O-N 3.14Å; L52-L55 PolarHBondContact O-N 2.71Å; L52-V56 WeakPolarHBondContact O-CB 3.4Å; L52-V56 WeakPolarHBondContact O-CG2 3.32Å; L52-V56 PolarHBondContact O-N 3.14Å; L52-E85 HydrophobicContact CD2-CB 3.82Å; L52-E85 HydrophobicContact CD2-CG 4Å; L52-W88 HydrophobicContact CD2-CE3 3.94Å; L52-W88 HydrophobicContact CD2-CZ3 4.28Å; L52-W88 HydrophobicContact CG-CE3 4.03Å; L52-W88 HydrophobicContact CG-CZ3 3.88Å; L52-L89 HydrophobicContact CD1-CD2 4.4Å; L52-L89 HydrophobicContact CD2-CD1 4.03Å; L52-L89 HydrophobicContact CD2-CD2 4.18Å; L52-L89 HydrophobicContact CD2-CG 3.92Å; L52-L89 HydrophobicContact CG-CD2 4.38Å
53Q94.3Very high92.5Very high67 Ų6739.5 Ų39.531%0.31323%0.229SC..Hα-helixtrans-60.1-45.6171.5-75.6175.28.200112.2L49 S57 D58 W88L49-Q53 HydrophobicContact CD1-CG 4.37Å; L49-Q53 WeakPolarHBondContact O-CB 3.39Å; L49-Q53 WeakPolarHBondContact O-CG 3.4Å; L49-Q53 PolarHBondContact O-N 2.98Å; Q53-S57 WeakPolarHBondContact O-CB 3.36Å; Q53-S57 PolarHBondContact O-N 3.36Å; Q53-D58 PolarHBondContact O-N 3.42Å; Q53-W88 HydrophobicContact CB-CZ2 4.26Å; Q53-W88 HydrophobicContact CG-CD2 4.04Å; Q53-W88 VanDerWaalsContact CG-CE2 3.42Å; Q53-W88 HydrophobicContact CG-CH2 4.11Å; Q53-W88 HydrophobicContact CG-CZ2 3.5Å; Q53-W88 VanDerWaalsContact CG-CZ2 3.5Å
54L93.3Very high92Very high5 Ų541.5 Ų41.53%0.02625%0.25CS..Iπ-helixtrans-59.5-48.1174.4175.866.6000111.8L15 L18 R19 D50 C51 D58 L59L15-L54 HydrophobicContact CB-CD2 4.3Å; L15-L54 HydrophobicContact CD2-CB 4.05Å; L15-L54 HydrophobicContact CD2-CD2 3.62Å; L15-L54 HydrophobicContact CD2-CG 4.45Å; L18-L54 HydrophobicContact CB-CD2 3.62Å; L18-L54 HydrophobicContact CD1-CD2 4.07Å; R19-L54 HydrophobicContact CG-CD1 3.74Å; R19-L54 HydrophobicContact CG-CD2 3.99Å; R19-L54 VanDerWaalsContact NE-CD1 3.27Å; D50-L54 WeakPolarHBondContact O-CB 3.22Å; D50-L54 PolarHBondContact O-N 3.16Å; C51-L54 PolarHBondContact O-N 2.85Å; L54-D58 HydrophobicContact CD1-CB 3.83Å; L54-D58 WeakPolarHBondContact CD1-OD2 3.46Å; L54-D58 WeakPolarHBondContact O-CB 3.41Å; L54-L59 HydrophobicContact CD1-CD1 4.31Å; L54-L59 HydrophobicContact CD1-CG 4.32Å; L54-L59 HydrophobicContact CG-CD1 4.1Å; L54-L59 WeakPolarHBondContact O-CB 3.5Å; L54-L59 WeakPolarHBondContact O-CG 3.27Å; L54-L59 PolarHBondContact O-N 3.14Å; L54-L59 VanDerWaalsContact O-N 3.08Å
55L92.1Very high91.7Very high0 Ų043 Ų430%026%0.26CS..Iπ-helixtrans-68-39.8-175.1-74.3165.9000112.2A10 L18 L27 P39 V40 A43 C51 L52 L59 L61A10-L55 HydrophobicContact CB-CD1 4.2Å; L18-L55 HydrophobicContact CD1-CD1 4.3Å; L18-L55 HydrophobicContact CD1-CD2 4.3Å; L18-L55 HydrophobicContact CD1-CG 4.2Å; L18-L55 HydrophobicContact CD2-CD2 4.2Å; L27-L55 HydrophobicContact CD1-CD2 4.35Å; L27-L55 HydrophobicContact CD2-CD2 4.32Å; P39-L55 HydrophobicContact CB-CD1 3.77Å; P39-L55 HydrophobicContact CB-CD2 3.88Å; P39-L55 WeakPolarHBondContact O-CD1 3.34Å; V40-L55 HydrophobicContact CG2-CB 4.26Å; A43-L55 HydrophobicContact CB-CD1 4.02Å; C51-L55 VanDerWaalsContact O-CB 3.28Å; C51-L55 WeakPolarHBondContact O-CB 3.38Å; C51-L55 WeakPolarHBondContact O-CD1 3.38Å; C51-L55 WeakPolarHBondContact O-CG 3.27Å; C51-L55 PolarHBondContact O-N 3.42Å; L52-L55 PolarHBondContact O-N 2.71Å; L55-L59 WeakPolarHBondContact O-CB 3.47Å; L55-L61 HydrophobicContact CB-CD1 4.07Å; L55-L61 HydrophobicContact CD2-CD1 3.61Å; L55-L61 HydrophobicContact CG-CD1 4.45Å; L55-L61 WeakPolarHBondContact O-CB 3.45Å; L55-L61 WeakPolarHBondContact O-CG 3.5Å; L55-L61 PolarHBondContact O-N 2.92Å
56V92.9Very high91.7Very high9 Ų944 Ų446%0.05526%0.264CS..Iπ-helixtrans-90.6-57-175.2176.60000111.8V40 L52 G60 L61 A63 W88 E93V40-V56 HydrophobicContact CG1-CG2 3.84Å; V40-V56 HydrophobicContact CG2-CG2 4.21Å; L52-V56 WeakPolarHBondContact O-CB 3.4Å; L52-V56 WeakPolarHBondContact O-CG2 3.32Å; L52-V56 PolarHBondContact O-N 3.14Å; V56-G60 WeakPolarHBondContact O-CA 3.49Å; V56-G60 PolarHBondContact O-N 2.85Å; V56-L61 WeakPolarHBondContact CA-O 3.45Å; V56-A63 HydrophobicContact CG1-CB 4.03Å; V56-A63 HydrophobicContact CG2-CB 4.3Å; V56-W88 HydrophobicContact CB-CH2 3.93Å; V56-W88 HydrophobicContact CB-CZ3 4.28Å; V56-W88 HydrophobicContact CG1-CH2 4.12Å; V56-W88 HydrophobicContact CG2-CZ3 4.45Å; V56-E93 HydrophobicContact CG1-CG 3.78Å; V56-E93 WeakPolarHBondContact CG1-OE2 3.25Å
57S90.3Very high91.6Very high68 Ų6842.4 Ų42.448%0.47625%0.254SS..Iπ-helixtrans-85.3-41.7-169.4-36.30000113.5Q53 W88 E93Q53-S57 WeakPolarHBondContact O-CB 3.36Å; Q53-S57 PolarHBondContact O-N 3.36Å; S57-W88 WeakPolarHBondContact OG-CH2 3.49Å; S57-W88 VanDerWaalsContact OG-CZ2 3.23Å; S57-W88 WeakPolarHBondContact OG-CZ2 3.36Å; S57-E93 PolarHBondContact OG-OE1 3.48Å
58D87.8Confident91.5Very high100 Ų10046 Ų4654%0.53528%0.275SS..Iπ-helixtrans-76.3-35.3176.6-875.6000111.8R19 Q53 L54R19-D58 IonicContact CZ-OD2 2.81Å; R19-D58 IonicContact NE-OD2 2.65Å; R19-D58 IonicContact NH2-OD2 2.65Å; R19-D58 PolarHBondContact NH2-OD2 3.26Å; Q53-D58 PolarHBondContact O-N 3.42Å; L54-D58 HydrophobicContact CD1-CB 3.83Å; L54-D58 WeakPolarHBondContact CD1-OD2 3.46Å; L54-D58 WeakPolarHBondContact O-CB 3.41Å
59L86.6Confident91.4Very high60 Ų6045.5 Ų45.531%0.31428%0.28SS..THydrogen-bonded Turntrans-112.3-4.5-170.4-62.3179.5000115.1A22 L27 L54 L55 L61A22-L59 HydrophobicContact CB-CD1 3.75Å; A22-L59 HydrophobicContact CB-CD2 3.42Å; A22-L59 VanDerWaalsContact CB-CD2 3.42Å; A22-L59 HydrophobicContact CB-CG 4.24Å; L27-L59 HydrophobicContact CD1-CD1 4.04Å; L54-L59 HydrophobicContact CD1-CD1 4.31Å; L54-L59 HydrophobicContact CD1-CG 4.32Å; L54-L59 HydrophobicContact CG-CD1 4.1Å; L54-L59 WeakPolarHBondContact O-CB 3.5Å; L54-L59 WeakPolarHBondContact O-CG 3.27Å; L54-L59 PolarHBondContact O-N 3.14Å; L54-L59 VanDerWaalsContact O-N 3.08Å; L55-L59 WeakPolarHBondContact O-CB 3.47Å; L59-L61 PolarHBondContact O-N 3.08Å
60G86.1Confident91.3Very high63 Ų6345.3 Ų45.365%0.64928%0.282SS*.  trans71.920.4171.400000115.9V56V56-G60 WeakPolarHBondContact O-CA 3.49Å; V56-G60 PolarHBondContact O-N 2.85Å
61L89.1Confident91.4Very high13 Ų1340.9 Ų40.97%0.06826%0.259CS..  trans-75.1137.7174.9-63.2167.3000110.6P29 V40 L55 V56 L59 A63P29-L61 HydrophobicContact CB-CD2 4.15Å; V40-L61 HydrophobicContact CG2-CB 3.88Å; V40-L61 HydrophobicContact CG2-CD1 4.33Å; L55-L61 HydrophobicContact CB-CD1 4.07Å; L55-L61 HydrophobicContact CD2-CD1 3.61Å; L55-L61 HydrophobicContact CG-CD1 4.45Å; L55-L61 WeakPolarHBondContact O-CB 3.45Å; L55-L61 WeakPolarHBondContact O-CG 3.5Å; L55-L61 PolarHBondContact O-N 2.92Å; V56-L61 WeakPolarHBondContact CA-O 3.45Å; L59-L61 PolarHBondContact O-N 3.08Å; L61-A63 PolarHBondContact O-N 3.35Å
62P88.9Confident91.4Very high66 Ų6640.8 Ų40.843%0.42926%0.259SS..  trans-68117.7-17524.6-32.3000112.4P29 G64 S65P29-P62 HydrophobicContact CB-CG 4.2Å; P62-G64 VanDerWaalsContact C-N 3.31Å; P62-G64 PolarHBondContact O-N 3.14Å; P62-S65 VanDerWaalsContact O-CB 3.24Å; P62-S65 WeakPolarHBondContact O-CB 3.34Å; P62-S65 PolarHBondContact O-N 3.02Å; P62-S65 PolarHBondContact O-OG 3.33Å
63A87.8Confident91.5Very high9 Ų940.8 Ų40.87%0.07426%0.259CS..THydrogen-bonded Turntrans-56.6-42.517400000112.7V56 L61 S65 L89 E93V56-A63 HydrophobicContact CG1-CB 4.03Å; V56-A63 HydrophobicContact CG2-CB 4.3Å; L61-A63 PolarHBondContact O-N 3.35Å; A63-S65 PolarHBondContact O-N 3.04Å; A63-S65 VanDerWaalsContact O-N 3.12Å; A63-L89 HydrophobicContact CB-CD2 3.9Å; A63-E93 HydrophobicContact CB-CB 3.84Å; A63-E93 HydrophobicContact CB-CG 4.45Å
64G85.9Confident91.6Very high42 Ų4237.8 Ų37.843%0.43325%0.245SC..THydrogen-bonded Turntrans-75.217.6174.500000115.2P62 R66P62-G64 VanDerWaalsContact C-N 3.31Å; P62-G64 PolarHBondContact O-N 3.14Å; G64-R66 WeakPolarHBondContact O-CG 3.19Å
65S89.6Confident91.7Very high30 Ų3037.7 Ų37.721%0.2125%0.245CC..  trans-60.2138.917343.60000110.8H41 P62 A63 T72H41-S65 PolarHBondContact CE1-O 3.29Å; H41-S65 PolarHBondContact NE2-O 2.85Å; H41-S65 VanDerWaalsContact NE2-O 3.08Å; P62-S65 VanDerWaalsContact O-CB 3.24Å; P62-S65 WeakPolarHBondContact O-CB 3.34Å; P62-S65 PolarHBondContact O-N 3.02Å; P62-S65 PolarHBondContact O-OG 3.33Å; A63-S65 PolarHBondContact O-N 3.04Å; A63-S65 VanDerWaalsContact O-N 3.12Å; S65-T72 WeakPolarHBondContact O-CA 3.24Å
66R93.6Very high91.9Very high108 Ų10838.6 Ų38.641%0.40825%0.25SC..BIsolated β-bridgetrans-115.5129.6-172.9-45.1-160.376.7121.61110.2G64 G70 A71 T72 D99 G100G64-R66 WeakPolarHBondContact O-CG 3.19Å; R66-G70 VanDerWaalsContact CZ-O 3.31Å; R66-G70 PolarHBondContact NE-O 3.41Å; R66-G70 PolarHBondContact NH2-O 3.42Å; R66-A71 WeakPolarHBondContact CA-O 3.35Å; R66-T72 HydrophobicContact CG-CG2 4.22Å; R66-D99 IonicContact CZ-OD1 3.19Å; R66-D99 IonicContact NH1-OD1 3.74Å; R66-D99 PolarHBondContact NH1-OD1 3.29Å; R66-D99 IonicContact NH2-OD1 2.72Å; R66-G100 PolarHBondContact NH2-O 2.99Å
67A94.2Very high92.1Very high11 Ų1138.2 Ų38.29%0.09125%0.247CC..  trans-71.4173.917200000111.2A37 N69 G70 A71A37-A67 HydrophobicContact CB-CB 4.3Å; A67-N69 PolarHBondContact O-N 2.97Å; A67-N69 VanDerWaalsContact O-N 3.1Å; A67-G70 WeakPolarHBondContact O-CA 3.35Å; A67-G70 PolarHBondContact O-N 2.85Å; A67-A71 PolarHBondContact N-O 2.86Å
68S94.3Very high92.5Very high99 Ų9935 Ų3569%0.69223%0.225SC*.THydrogen-bonded Turntrans-62.9-19.2-176-60.90000114.3Q35Q35-S68 VanDerWaalsContact O-CB 3.3Å; Q35-S68 WeakPolarHBondContact O-CB 3.32Å; Q35-S68 PolarHBondContact O-N 3.16Å; Q35-S68 PolarHBondContact O-OG 3.12Å
69N93.1Very high92.9Very high85 Ų8530.9 Ų30.946%0.45521%0.205SC..THydrogen-bonded Turntrans-9310.1170.971.9-29.1000113.3A67 A71 A102A67-N69 PolarHBondContact O-N 2.97Å; A67-N69 VanDerWaalsContact O-N 3.1Å; N69-A71 VanDerWaalsContact C-N 3.31Å; N69-A71 PolarHBondContact O-N 3.34Å; N69-A71 VanDerWaalsContact OD1-CB 3.28Å; N69-A71 WeakPolarHBondContact OD1-CB 3.38Å; N69-A71 PolarHBondContact OD1-N 3.08Å; N69-A102 WeakPolarHBondContact O-CB 3.47Å; N69-A102 PolarHBondContact O-N 2.98Å
70G94.6Very high93.4Very high15 Ų1530 Ų3016%0.15520%0.202CC..SBendtrans79.1-1.3-17700000115.8R66 A67R66-G70 VanDerWaalsContact CZ-O 3.31Å; R66-G70 PolarHBondContact NE-O 3.41Å; R66-G70 PolarHBondContact NH2-O 3.42Å; A67-G70 WeakPolarHBondContact O-CA 3.35Å; A67-G70 PolarHBondContact O-N 2.85Å
71A95.8Very high93.9Very high7 Ų728.2 Ų28.26%0.05818%0.184CC..  trans-71.4136.4-177.500000112.9H41 R66 A67 N69 H75H41-A71 PolarHBondContact NE2-O 2.84Å; H41-A71 VanDerWaalsContact NE2-O 3.1Å; R66-A71 WeakPolarHBondContact CA-O 3.35Å; A67-A71 PolarHBondContact N-O 2.86Å; N69-A71 VanDerWaalsContact C-N 3.31Å; N69-A71 PolarHBondContact O-N 3.34Å; N69-A71 VanDerWaalsContact OD1-CB 3.28Å; N69-A71 WeakPolarHBondContact OD1-CB 3.38Å; N69-A71 PolarHBondContact OD1-N 3.08Å; A71-H75 HydrophobicContact CB-CB 3.95Å
72T95.6Very high94.3Very high0 Ų029.3 Ų29.30%019%0.189CC..BIsolated β-bridgetrans-91.8169.6173.168.10000111.7S65 R66 A74 H75 D76S65-T72 WeakPolarHBondContact O-CA 3.24Å; R66-T72 HydrophobicContact CG-CG2 4.22Å; T72-A74 PolarHBondContact O-N 3.17Å; T72-A74 VanDerWaalsContact O-N 3.16Å; T72-A74 PolarHBondContact OG1-N 3.17Å; T72-H75 PolarHBondContact N-ND1 2.85Å; T72-H75 VanDerWaalsContact O-CB 3.31Å; T72-H75 WeakPolarHBondContact O-CB 3.38Å; T72-H75 PolarHBondContact O-N 2.88Å; T72-H75 PolarHBondContact OG1-ND1 2.73Å; T72-D76 PolarHBondContact O-N 3.21Å
73A95.1Very high94.7Very high0 Ų027.7 Ų27.70%018%0.177CC..Hα-helixtrans-57.2-28.9172.900000113.2V40 A44 D76 A77 L89V40-A73 HydrophobicContact CG1-CB 3.75Å; A44-A73 HydrophobicContact CB-CB 3.94Å; A44-A73 WeakPolarHBondContact CB-O 3.18Å; A73-D76 PolarHBondContact O-N 3.06Å; A73-A77 PolarHBondContact O-N 3.46Å; A73-L89 HydrophobicContact CB-CD1 3.89Å; A73-L89 HydrophobicContact CB-CD2 4.49Å
74A96.2Very high95.1Very high3 Ų334.5 Ų34.53%0.02520%0.2CC..Hα-helixtrans-68.6-34.9173.800000112.5T72 D76 A77 A78 L86 L89 C95T72-A74 PolarHBondContact O-N 3.17Å; T72-A74 VanDerWaalsContact O-N 3.16Å; T72-A74 PolarHBondContact OG1-N 3.17Å; A74-D76 VanDerWaalsContact C-N 3.34Å; A74-A77 PolarHBondContact O-N 2.74Å; A74-A78 VanDerWaalsContact O-CB 3.26Å; A74-A78 WeakPolarHBondContact O-CB 3.48Å; A74-A78 PolarHBondContact O-N 3.04Å; A74-L86 HydrophobicContact CB-CD1 3.76Å; A74-L86 WeakPolarHBondContact O-CD1 3.02Å; A74-L89 HydrophobicContact CB-CD1 4.29Å; A74-C95 HydrophobicContact CB-CB 4.39Å
75H96.9Very high95.6Very high3 Ų333 Ų331%0.01418%0.182CC..Hα-helixtrans-63.5-42.3173.1-70.566000111A71 T72 A78 A79 D99 D101 A105 L110A71-H75 HydrophobicContact CB-CB 3.95Å; T72-H75 PolarHBondContact N-ND1 2.85Å; T72-H75 VanDerWaalsContact O-CB 3.31Å; T72-H75 WeakPolarHBondContact O-CB 3.38Å; T72-H75 PolarHBondContact O-N 2.88Å; T72-H75 PolarHBondContact OG1-ND1 2.73Å; H75-A78 PolarHBondContact O-N 3.27Å; H75-A79 VanDerWaalsContact O-CB 3.28Å; H75-A79 WeakPolarHBondContact O-CB 3.19Å; H75-A79 PolarHBondContact O-N 3.18Å; H75-D99 PolarHBondContact CE1-O 3.04Å; H75-D99 PolarHBondContact NE2-O 3.35Å; H75-D99 VanDerWaalsContact NE2-O 3.14Å; H75-D101 PolarHBondContact NE2-N 3.08Å; H75-A105 PolarHBondContact CD2-O 2.94Å; H75-A105 PolarHBondContact NE2-O 3.35Å; H75-A105 VanDerWaalsContact NE2-O 3.08Å; H75-L110 HydrophobicContact CB-CD1 3.58Å
76D96.6Very high95.9Very high20 Ų2031.6 Ų31.611%0.10717%0.172CC..Hα-helixtrans-64.5-45.4176.8-91.3-47.1000112.7H41 R45 T72 A73 A74 A79 T80H41-D76 WeakPolarHBondContact CB-OD2 3.46Å; H41-D76 IonicContact CD2-OD2 3.17Å; H41-D76 PolarHBondContact CD2-OD2 3.48Å; H41-D76 IonicContact CG-OD2 2.68Å; R45-D76 HydrophobicContact CB-CB 4.08Å; R45-D76 IonicContact CZ-OD1 2.76Å; R45-D76 IonicContact CZ-OD2 3.64Å; R45-D76 IonicContact NE-OD1 3.31Å; R45-D76 PolarHBondContact NE-OD1 3.05Å; R45-D76 IonicContact NE-OD2 2.72Å; R45-D76 IonicContact NH2-OD1 2.74Å; R45-D76 PolarHBondContact NH2-OD1 3.46Å; R45-D76 IonicContact NH2-OD2 2.78Å; R45-D76 PolarHBondContact NH2-OD2 2.97Å; T72-D76 PolarHBondContact O-N 3.21Å; A73-D76 PolarHBondContact O-N 3.06Å; A74-D76 VanDerWaalsContact C-N 3.34Å; D76-A79 PolarHBondContact O-N 2.89Å; D76-T80 WeakPolarHBondContact O-CB 3.48Å; D76-T80 WeakPolarHBondContact O-CG2 3.39Å; D76-T80 PolarHBondContact O-N 3.47Å; D76-T80 VanDerWaalsContact O-N 3.1Å; D76-T80 PolarHBondContact O-OG1 3.42Å
77A97.1Very high96.1Very high0 Ų029.1 Ų29.10%017%0.165CC..Hα-helixtrans-62.1-44.417500000111.7A44 A73 A74 T80 G81 N82 E85 L86A44-A77 HydrophobicContact CB-CB 4.35Å; A73-A77 PolarHBondContact O-N 3.46Å; A74-A77 PolarHBondContact O-N 2.74Å; A77-T80 PolarHBondContact O-N 3.29Å; A77-T80 PolarHBondContact O-OG1 3.16Å; A77-G81 PolarHBondContact O-N 3.45Å; A77-N82 HydrophobicContact CB-CB 4.32Å; A77-N82 PolarHBondContact O-N 3.46Å; A77-E85 HydrophobicContact CB-CB 4.27Å; A77-L86 HydrophobicContact CB-CB 3.93Å
78A97.7Very high96.1Very high0 Ų030 Ų300%017%0.166CC..Hα-helixtrans-66.7-38.1179.300000113.1A74 H75 L86 A107 R116 V119A74-A78 VanDerWaalsContact O-CB 3.26Å; A74-A78 WeakPolarHBondContact O-CB 3.48Å; A74-A78 PolarHBondContact O-N 3.04Å; H75-A78 PolarHBondContact O-N 3.27Å; A78-L86 HydrophobicContact CB-CD1 4.37Å; A78-L86 HydrophobicContact CB-CD2 4Å; A78-A107 HydrophobicContact CB-CB 3.86Å; A78-R116 WeakPolarHBondContact O-CG 3.39Å; A78-V119 HydrophobicContact CB-CG1 4.07Å
79A97.3Very high96.2Very high14 Ų1425.2 Ų25.212%0.11613%0.133CC..Hα-helixtrans-67.2-35.2175.400000113H75 D76 L110 F114 R116H75-A79 VanDerWaalsContact O-CB 3.28Å; H75-A79 WeakPolarHBondContact O-CB 3.19Å; H75-A79 PolarHBondContact O-N 3.18Å; D76-A79 PolarHBondContact O-N 2.89Å; A79-L110 HydrophobicContact CB-CB 4.16Å; A79-L110 HydrophobicContact CB-CD1 4.47Å; A79-F114 HydrophobicContact CB-CD2 3.64Å; A79-F114 HydrophobicContact CB-CE2 3.71Å; A79-F114 VanDerWaalsContact O-CB 3.32Å; A79-F114 WeakPolarHBondContact O-CB 3.47Å; A79-R116 PolarHBondContact O-NE 3.37Å; A79-R116 PolarHBondContact O-NH2 2.95Å; A79-R116 VanDerWaalsContact O-NH2 3.09Å
80T97Very high96.2Very high43 Ų4322.5 Ų22.526%0.26412%0.12SC..Hα-helixtrans-86.2-22.3-178.147.90000113.9R45 D76 A77 N82 R116R45-T80 HydrophobicContact CG-CG2 3.65Å; D76-T80 WeakPolarHBondContact O-CB 3.48Å; D76-T80 WeakPolarHBondContact O-CG2 3.39Å; D76-T80 PolarHBondContact O-N 3.47Å; D76-T80 VanDerWaalsContact O-N 3.1Å; D76-T80 PolarHBondContact O-OG1 3.42Å; A77-T80 PolarHBondContact O-N 3.29Å; A77-T80 PolarHBondContact O-OG1 3.16Å; T80-N82 PolarHBondContact OG1-ND2 2.88Å; T80-R116 VanDerWaalsContact O-CZ 3.25Å; T80-R116 PolarHBondContact O-NE 2.9Å; T80-R116 PolarHBondContact O-NH2 3.41Å
81G96.6Very high96.1Very high25 Ų2527.6 Ų27.626%0.25814%0.139SC..THydrogen-bonded Turntrans94.911.2-176.700000113.9A77 I83A77-G81 PolarHBondContact O-N 3.45Å; G81-I83 VanDerWaalsContact C-N 3.26Å; G81-I83 PolarHBondContact O-N 2.97Å
82N97.1Very high95.8Very high35 Ų3536 Ų3619%0.18717%0.17CC..  trans-78.873.9-176.5-63.9-24.5000110.5A44 R45 G47 A77 T80 R84 E85 L86A44-N82 PolarHBondContact O-ND2 3.32Å; R45-N82 VanDerWaalsContact C-ND2 3.29Å; R45-N82 PolarHBondContact O-ND2 3.33Å; G47-N82 PolarHBondContact N-ND2 3.1Å; A77-N82 HydrophobicContact CB-CB 4.32Å; A77-N82 PolarHBondContact O-N 3.46Å; T80-N82 PolarHBondContact OG1-ND2 2.88Å; N82-R84 VanDerWaalsContact C-N 3.32Å; N82-R84 PolarHBondContact O-N 3.39Å; N82-E85 HydrophobicContact CB-CB 4.24Å; N82-E85 HydrophobicContact CB-CG 4.44Å; N82-E85 PolarHBondContact O-N 2.95Å; N82-L86 PolarHBondContact O-N 3.13Å
83I96.2Very high95.4Very high32 Ų3239.3 Ų39.316%0.16419%0.185CC..Hα-helixtrans-61.6-34.4-170.3-169.2170.4000113.6G81 L86 Q87 E118 V119 W122G81-I83 VanDerWaalsContact C-N 3.26Å; G81-I83 PolarHBondContact O-N 2.97Å; I83-L86 PolarHBondContact O-N 3.14Å; I83-Q87 HydrophobicContact CG1-CG 4.37Å; I83-Q87 VanDerWaalsContact O-CB 3.29Å; I83-Q87 WeakPolarHBondContact O-CB 3.31Å; I83-Q87 VanDerWaalsContact O-CG 3.27Å; I83-Q87 WeakPolarHBondContact O-CG 3.34Å; I83-Q87 PolarHBondContact O-N 3.12Å; I83-E118 HydrophobicContact CD1-CB 4.05Å; I83-V119 HydrophobicContact CB-CG2 3.92Å; I83-V119 HydrophobicContact CG1-CG2 4.26Å; I83-W122 HydrophobicContact CD1-CB 3.91Å; I83-W122 HydrophobicContact CD1-CG 4.32Å
84R96.8Very high94.7Very high152 Ų15242.2 Ų42.257%0.57422%0.215SC*.Hα-helixtrans-69.3-41.9-179.1-64.4176.164.1-148.1-3111.7N82 W88N82-R84 VanDerWaalsContact C-N 3.32Å; N82-R84 PolarHBondContact O-N 3.39Å; R84-W88 VanDerWaalsContact O-CB 3.24Å; R84-W88 WeakPolarHBondContact O-CB 3.5Å; R84-W88 PolarHBondContact O-N 2.84Å
85E95.9Very high94.3Very high10 Ų1042.6 Ų42.65%0.04722%0.217CC..Hα-helixtrans-66-41.6175.3-70.769.1-163.700110.8G47 R48 L49 L52 A77 N82 W88 L89G47-E85 WeakPolarHBondContact CA-OE1 3.15Å; R48-E85 PolarHBondContact N-OE1 3.44Å; L49-E85 HydrophobicContact CB-CG 4.29Å; L49-E85 WeakPolarHBondContact CB-OE1 3.39Å; L49-E85 PolarHBondContact N-OE1 3.13Å; L52-E85 HydrophobicContact CD2-CB 3.82Å; L52-E85 HydrophobicContact CD2-CG 4Å; A77-E85 HydrophobicContact CB-CB 4.27Å; N82-E85 HydrophobicContact CB-CB 4.24Å; N82-E85 HydrophobicContact CB-CG 4.44Å; N82-E85 PolarHBondContact O-N 2.95Å; E85-W88 PolarHBondContact O-N 2.8Å; E85-L89 VanDerWaalsContact O-CG 3.27Å; E85-L89 WeakPolarHBondContact O-CG 3.41Å; E85-L89 PolarHBondContact O-N 3.32Å
86L96.8Very high94.1Very high1 Ų145.2 Ų45.21%0.00524%0.236CC..Hα-helixtrans-65.1-50.6175.9-179.464.6000112.4A74 A77 A78 N82 I83 W88 L89 V90 V119 W122 L123A74-L86 HydrophobicContact CB-CD1 3.76Å; A74-L86 WeakPolarHBondContact O-CD1 3.02Å; A77-L86 HydrophobicContact CB-CB 3.93Å; A78-L86 HydrophobicContact CB-CD1 4.37Å; A78-L86 HydrophobicContact CB-CD2 4Å; N82-L86 PolarHBondContact O-N 3.13Å; I83-L86 PolarHBondContact O-N 3.14Å; L86-W88 VanDerWaalsContact C-N 3.25Å; L86-W88 PolarHBondContact O-N 3.5Å; L86-L89 PolarHBondContact O-N 3.23Å; L86-V90 HydrophobicContact CD1-CG2 4.29Å; L86-V90 WeakPolarHBondContact O-CG2 3.48Å; L86-V90 PolarHBondContact O-N 2.91Å; L86-V90 VanDerWaalsContact O-N 3.07Å; L86-V119 HydrophobicContact CD2-CG1 3.56Å; L86-W122 HydrophobicContact CD2-CE3 3.98Å; L86-W122 HydrophobicContact CD2-CZ3 3.72Å; L86-W122 HydrophobicContact CG-CE3 4.34Å; L86-W122 HydrophobicContact CG-CH2 4.39Å; L86-W122 HydrophobicContact CG-CZ3 3.68Å; L86-L123 HydrophobicContact CD2-CD1 4.26Å; L86-L123 HydrophobicContact CD2-CD2 4.17Å; L86-L123 HydrophobicContact CD2-CG 4.13Å
87Q96.6Very high93.8Very high56 Ų5645.2 Ų45.226%0.26224%0.236SC..Hα-helixtrans-50.5-49.3173.3-84.2166-10.400110.8I83 V90 E91 W122I83-Q87 HydrophobicContact CG1-CG 4.37Å; I83-Q87 VanDerWaalsContact O-CB 3.29Å; I83-Q87 WeakPolarHBondContact O-CB 3.31Å; I83-Q87 VanDerWaalsContact O-CG 3.27Å; I83-Q87 WeakPolarHBondContact O-CG 3.34Å; I83-Q87 PolarHBondContact O-N 3.12Å; Q87-V90 PolarHBondContact O-N 3.5Å; Q87-E91 VanDerWaalsContact O-CB 3.26Å; Q87-E91 WeakPolarHBondContact O-CB 3.31Å; Q87-E91 WeakPolarHBondContact O-CG 3.44Å; Q87-E91 PolarHBondContact O-N 3.25Å; Q87-W122 HydrophobicContact CB-CZ2 4.17Å; Q87-W122 HydrophobicContact CG-CD2 3.89Å; Q87-W122 HydrophobicContact CG-CE3 4.48Å; Q87-W122 HydrophobicContact CG-CG 4.4Å; Q87-W122 HydrophobicContact CG-CH2 4.16Å; Q87-W122 HydrophobicContact CG-CZ2 3.5Å; Q87-W122 VanDerWaalsContact NE2-CD1 3.33Å
88W95.8Very high93.7Very high29 Ų2948.5 Ų48.511%0.1125%0.252CS..Hα-helixtrans-64.2-44.3-178.5-174.684.2000113.1L49 L52 Q53 V56 S57 R84 E85 L86 V90 R92 E93L49-W88 HydrophobicContact CD1-CB 3.59Å; L49-W88 HydrophobicContact CD1-CD2 4.04Å; L49-W88 HydrophobicContact CD1-CG 3.59Å; L52-W88 HydrophobicContact CD2-CE3 3.94Å; L52-W88 HydrophobicContact CD2-CZ3 4.28Å; L52-W88 HydrophobicContact CG-CE3 4.03Å; L52-W88 HydrophobicContact CG-CZ3 3.88Å; Q53-W88 HydrophobicContact CB-CZ2 4.26Å; Q53-W88 HydrophobicContact CG-CD2 4.04Å; Q53-W88 VanDerWaalsContact CG-CE2 3.42Å; Q53-W88 HydrophobicContact CG-CH2 4.11Å; Q53-W88 HydrophobicContact CG-CZ2 3.5Å; Q53-W88 VanDerWaalsContact CG-CZ2 3.5Å; V56-W88 HydrophobicContact CB-CH2 3.93Å; V56-W88 HydrophobicContact CB-CZ3 4.28Å; V56-W88 HydrophobicContact CG1-CH2 4.12Å; V56-W88 HydrophobicContact CG2-CZ3 4.45Å; S57-W88 WeakPolarHBondContact OG-CH2 3.49Å; S57-W88 VanDerWaalsContact OG-CZ2 3.23Å; S57-W88 WeakPolarHBondContact OG-CZ2 3.36Å; R84-W88 VanDerWaalsContact O-CB 3.24Å; R84-W88 WeakPolarHBondContact O-CB 3.5Å; R84-W88 PolarHBondContact O-N 2.84Å; E85-W88 PolarHBondContact O-N 2.8Å; L86-W88 VanDerWaalsContact C-N 3.25Å; L86-W88 PolarHBondContact O-N 3.5Å; W88-V90 VanDerWaalsContact C-N 3.33Å; W88-V90 PolarHBondContact O-N 3.41Å; W88-R92 HydrophobicContact CG-CG 4.22Å; W88-R92 WeakPolarHBondContact O-CB 3.49Å; W88-R92 WeakPolarHBondContact O-CG 3.4Å; W88-R92 PolarHBondContact O-N 2.97Å; W88-E93 HydrophobicContact CE3-CG 4.25Å; W88-E93 HydrophobicContact CH2-CG 3.3Å; W88-E93 VanDerWaalsContact CH2-OE1 3.24Å; W88-E93 WeakPolarHBondContact CH2-OE1 3.49Å; W88-E93 HydrophobicContact CZ2-CG 3.8Å; W88-E93 VanDerWaalsContact CZ2-OE1 3.29Å; W88-E93 WeakPolarHBondContact CZ2-OE1 3.41Å; W88-E93 HydrophobicContact CZ3-CG 3.57Å
89L94.8Very high93.6Very high0 Ų050.5 Ų50.50%026%0.263CS..Hα-helixtrans-62-37.6177.2-74.4166.9000112.9A44 L52 A63 A73 A74 E85 L86 E93 G94 C95A44-L89 HydrophobicContact CB-CD1 4.31Å; L52-L89 HydrophobicContact CD1-CD2 4.4Å; L52-L89 HydrophobicContact CD2-CD1 4.03Å; L52-L89 HydrophobicContact CD2-CD2 4.18Å; L52-L89 HydrophobicContact CD2-CG 3.92Å; L52-L89 HydrophobicContact CG-CD2 4.38Å; A63-L89 HydrophobicContact CB-CD2 3.9Å; A73-L89 HydrophobicContact CB-CD1 3.89Å; A73-L89 HydrophobicContact CB-CD2 4.49Å; A74-L89 HydrophobicContact CB-CD1 4.29Å; E85-L89 VanDerWaalsContact O-CG 3.27Å; E85-L89 WeakPolarHBondContact O-CG 3.41Å; E85-L89 PolarHBondContact O-N 3.32Å; L86-L89 PolarHBondContact O-N 3.23Å; L89-E93 CarbonylContact O-C 3.46Å; L89-G94 PolarHBondContact O-N 2.96Å; L89-G94 VanDerWaalsContact O-N 3.17Å; L89-C95 HydrophobicContact CB-CB 4.42Å; L89-C95 WeakPolarHBondContact O-CB 3.18Å; L89-C95 PolarHBondContact O-N 3.48Å
90V93.8Very high93.5Very high28 Ų2851 Ų5117%0.1727%0.269CS..Hα-helixtrans-79.2-52.3-179.6173.90000111.3L86 Q87 W88 G94 V97 W122L86-V90 HydrophobicContact CD1-CG2 4.29Å; L86-V90 WeakPolarHBondContact O-CG2 3.48Å; L86-V90 PolarHBondContact O-N 2.91Å; L86-V90 VanDerWaalsContact O-N 3.07Å; Q87-V90 PolarHBondContact O-N 3.5Å; W88-V90 VanDerWaalsContact C-N 3.33Å; W88-V90 PolarHBondContact O-N 3.41Å; V90-G94 WeakPolarHBondContact O-CA 3.39Å; V90-G94 PolarHBondContact O-N 3.45Å; V90-V97 HydrophobicContact CG1-CG1 3.83Å; V90-V97 HydrophobicContact CG2-CG1 3.92Å; V90-W122 HydrophobicContact CB-CH2 3.93Å; V90-W122 HydrophobicContact CG1-CH2 4.11Å; V90-W122 HydrophobicContact CG2-CH2 4.03Å
91E92Very high93.4Very high122 Ų12250.3 Ų50.357%0.5726%0.264SS*.Hα-helixtrans-77.5-22.7-171.5-64.8176.3-166.300114.3Q87 W122Q87-E91 VanDerWaalsContact O-CB 3.26Å; Q87-E91 WeakPolarHBondContact O-CB 3.31Å; Q87-E91 WeakPolarHBondContact O-CG 3.44Å; Q87-E91 PolarHBondContact O-N 3.25Å; E91-W122 HydrophobicContact CG-CZ2 4.48Å
92R89.4Confident93.4Very high183 Ų18352.9 Ų52.969%0.69128%0.282SS*.THydrogen-bonded Turntrans-115.2-43.9-172.2-48.6-64.1-70.8-174-4.6112.8W88W88-R92 HydrophobicContact CG-CG 4.22Å; W88-R92 WeakPolarHBondContact O-CB 3.49Å; W88-R92 WeakPolarHBondContact O-CG 3.4Å; W88-R92 PolarHBondContact O-N 2.97Å
93E87Confident93.3Very high70 Ų7053 Ų5333%0.32729%0.289SS..THydrogen-bonded Turntrans-101.3-1.2-177.1-58.3-65.3162.600112.9V56 S57 A63 W88 L89 C95V56-E93 HydrophobicContact CG1-CG 3.78Å; V56-E93 WeakPolarHBondContact CG1-OE2 3.25Å; S57-E93 PolarHBondContact OG-OE1 3.48Å; A63-E93 HydrophobicContact CB-CB 3.84Å; A63-E93 HydrophobicContact CB-CG 4.45Å; W88-E93 HydrophobicContact CE3-CG 4.25Å; W88-E93 HydrophobicContact CH2-CG 3.3Å; W88-E93 VanDerWaalsContact CH2-OE1 3.24Å; W88-E93 WeakPolarHBondContact CH2-OE1 3.49Å; W88-E93 HydrophobicContact CZ2-CG 3.8Å; W88-E93 VanDerWaalsContact CZ2-OE1 3.29Å; W88-E93 WeakPolarHBondContact CZ2-OE1 3.41Å; W88-E93 HydrophobicContact CZ3-CG 3.57Å; L89-E93 CarbonylContact O-C 3.46Å; E93-C95 PolarHBondContact O-N 3.06Å
94G81.6Confident93.2Very high61 Ų6152.7 Ų52.763%0.62929%0.293SS*.  trans74.221.9168.900000115.7L89 V90L89-G94 PolarHBondContact O-N 2.96Å; L89-G94 VanDerWaalsContact O-N 3.17Å; V90-G94 WeakPolarHBondContact O-CA 3.39Å; V90-G94 PolarHBondContact O-N 3.45Å
95C88.1Confident93.3Very high10 Ų1045.6 Ų45.67%0.06827%0.267CS..  trans-61.9136.3171-67.40000111A74 L89 E93A74-C95 HydrophobicContact CB-CB 4.39Å; L89-C95 HydrophobicContact CB-CB 4.42Å; L89-C95 WeakPolarHBondContact O-CB 3.18Å; L89-C95 PolarHBondContact O-N 3.48Å; E93-C95 PolarHBondContact O-N 3.06Å
96S91Very high93.4Very high58 Ų5845.4 Ų45.441%0.40627%0.267SS..  trans-77.9136.5179.5-174.50000110.9E98 D99S96-E98 PolarHBondContact O-N 2.72Å; S96-E98 PolarHBondContact OG-N 3.01Å; S96-E98 VanDerWaalsContact OG-N 3.16Å; S96-D99 WeakPolarHBondContact CB-OD2 3.41Å; S96-D99 PolarHBondContact N-OD2 2.96Å; S96-D99 WeakPolarHBondContact O-CB 3.48Å; S96-D99 PolarHBondContact O-N 3.3Å
97V92.1Very high93.4Very high20 Ų2045.5 Ų45.512%0.12127%0.267CS..THydrogen-bonded Turntrans-67.9-22.2169-62.70000112.3V90 L123 V126V90-V97 HydrophobicContact CG1-CG1 3.83Å; V90-V97 HydrophobicContact CG2-CG1 3.92Å; V97-L123 HydrophobicContact CB-CD2 4.04Å; V97-L123 HydrophobicContact CG1-CD2 3.7Å; V97-V126 HydrophobicContact CG1-CG2 3.93Å
98E94.6Very high93.5Very high69 Ų6942.9 Ų42.932%0.32226%0.255SS..THydrogen-bonded Turntrans-96.38.9175.9-60.2-53.9122.300113.3S96 G100 G128 V129S96-E98 PolarHBondContact O-N 2.72Å; S96-E98 PolarHBondContact OG-N 3.01Å; S96-E98 VanDerWaalsContact OG-N 3.16Å; E98-G100 PolarHBondContact O-N 2.85Å; E98-G100 VanDerWaalsContact O-N 3.16Å; E98-G128 VanDerWaalsContact OE1-CA 3.31Å; E98-G128 WeakPolarHBondContact OE1-CA 3.49Å; E98-V129 HydrophobicContact CG-CG2 4.23Å; E98-V129 PolarHBondContact OE1-N 2.99Å; E98-V129 WeakPolarHBondContact OE2-CB 3.29Å
99D94.3Very high93.6Very high42 Ų4241.5 Ų41.523%0.22525%0.25CC..  trans-60.2118.4162.1-92.2-60.3000108.2R66 H75 S96 T106R66-D99 IonicContact CZ-OD1 3.19Å; R66-D99 IonicContact NH1-OD1 3.74Å; R66-D99 PolarHBondContact NH1-OD1 3.29Å; R66-D99 IonicContact NH2-OD1 2.72Å; H75-D99 PolarHBondContact CE1-O 3.04Å; H75-D99 PolarHBondContact NE2-O 3.35Å; H75-D99 VanDerWaalsContact NE2-O 3.14Å; S96-D99 WeakPolarHBondContact CB-OD2 3.41Å; S96-D99 PolarHBondContact N-OD2 2.96Å; S96-D99 WeakPolarHBondContact O-CB 3.48Å; S96-D99 PolarHBondContact O-N 3.3Å; D99-T106 WeakPolarHBondContact O-CA 3.43Å
100G95.4Very high93.7Very high24 Ų2442.3 Ų42.325%0.24725%0.254CS..BIsolated β-bridgetrans-99.1148.3170.500000112R66 E98R66-G100 PolarHBondContact NH2-O 2.99Å; E98-G100 PolarHBondContact O-N 2.85Å; E98-G100 VanDerWaalsContact O-N 3.16Å
101D95.9Very high94Very high30 Ų3041 Ų4116%0.1625%0.246CC..  trans-72.4-169.4173.577.1-0.4000113.1H75 A103 G104 A105H75-D101 PolarHBondContact NE2-N 3.08Å; D101-A103 PolarHBondContact O-N 3.02Å; D101-A103 WeakPolarHBondContact OD1-CA 3.45Å; D101-A103 WeakPolarHBondContact OD1-CB 3.38Å; D101-A103 PolarHBondContact OD1-N 3.07Å; D101-G104 WeakPolarHBondContact O-CA 3.39Å; D101-G104 PolarHBondContact O-N 3.04Å; D101-G104 PolarHBondContact OD1-N 3.43Å; D101-G104 VanDerWaalsContact OD1-N 3.17Å; D101-A105 PolarHBondContact N-O 3.17Å; D101-A105 WeakPolarHBondContact OD1-CB 3.32Å; D101-A105 PolarHBondContact OD1-N 3.12Å
102A95.8Very high94.3Very high78 Ų7835.1 Ų35.165%0.64522%0.219SC*.THydrogen-bonded Turntrans-67.1-12.2179.200000114.3N69N69-A102 WeakPolarHBondContact O-CB 3.47Å; N69-A102 PolarHBondContact O-N 2.98Å
103A94.6Very high94.7Very high39 Ų3932.6 Ų32.632%0.32221%0.209SC..THydrogen-bonded Turntrans-995.2168.200000112.4D101 A105 T134 T135D101-A103 PolarHBondContact O-N 3.02Å; D101-A103 WeakPolarHBondContact OD1-CA 3.45Å; D101-A103 WeakPolarHBondContact OD1-CB 3.38Å; D101-A103 PolarHBondContact OD1-N 3.07Å; A103-A105 PolarHBondContact O-N 2.92Å; A103-T134 CarbonylContact O-C 3.55Å; A103-T134 VanDerWaalsContact O-CA 3.32Å; A103-T134 WeakPolarHBondContact O-CA 3.41Å; A103-T134 WeakPolarHBondContact O-CB 3.18Å; A103-T135 PolarHBondContact O-N 3.19Å; A103-T135 PolarHBondContact O-OG1 3.07Å
104G95.9Very high95.1Very high24 Ų2433.5 Ų33.525%0.24721%0.212CC..  trans72.112.6-174.300000113.9D101 T106D101-G104 WeakPolarHBondContact O-CA 3.39Å; D101-G104 PolarHBondContact O-N 3.04Å; D101-G104 PolarHBondContact OD1-N 3.43Å; D101-G104 VanDerWaalsContact OD1-N 3.17Å; G104-T106 PolarHBondContact O-N 2.97Å
105A97.6Very high95.9Very high4 Ų431.7 Ų31.73%0.03319%0.194CC..  trans-79.3113.5178.300000109.7H75 D101 A103 H109 T134H75-A105 PolarHBondContact CD2-O 2.94Å; H75-A105 PolarHBondContact NE2-O 3.35Å; H75-A105 VanDerWaalsContact NE2-O 3.08Å; D101-A105 PolarHBondContact N-O 3.17Å; D101-A105 WeakPolarHBondContact OD1-CB 3.32Å; D101-A105 PolarHBondContact OD1-N 3.12Å; A103-A105 PolarHBondContact O-N 2.92Å; A105-H109 HydrophobicContact CB-CB 3.97Å; A105-T134 HydrophobicContact CB-CG2 3.92Å
106T97.9Very high96.3Very high6 Ų635.6 Ų35.64%0.03721%0.207CC..BIsolated β-bridgetrans-76171.617667.90000112.5D99 G104 L108 H109 L110D99-T106 WeakPolarHBondContact O-CA 3.43Å; G104-T106 PolarHBondContact O-N 2.97Å; T106-L108 PolarHBondContact O-N 3.3Å; T106-L108 VanDerWaalsContact O-N 3.12Å; T106-H109 PolarHBondContact N-ND1 2.87Å; T106-H109 VanDerWaalsContact N-ND1 3.16Å; T106-H109 WeakPolarHBondContact O-CB 3.29Å; T106-H109 PolarHBondContact O-N 3.32Å; T106-H109 PolarHBondContact OG1-ND1 2.9Å; T106-L110 PolarHBondContact O-N 2.88Å
107A97.2Very high96.6Very high2 Ų235.3 Ų35.32%0.01720%0.202CC..Hα-helixtrans-50-37.5173.700000113A78 L110 A111 L123A78-A107 HydrophobicContact CB-CB 3.86Å; A107-L110 PolarHBondContact O-N 2.95Å; A107-A111 WeakPolarHBondContact O-CB 3.48Å; A107-A111 PolarHBondContact O-N 3.41Å; A107-L123 HydrophobicContact CB-CD1 3.98Å; A107-L123 HydrophobicContact CB-CD2 4.25Å
108L98.1Very high96.9Very high1 Ų140.7 Ų40.71%0.00523%0.226CC..Hα-helixtrans-68.3-35178.6-175.462.3000112.8T106 L110 A112 T120 L123 L124 P140 L156T106-L108 PolarHBondContact O-N 3.3Å; T106-L108 VanDerWaalsContact O-N 3.12Å; L108-L110 VanDerWaalsContact C-N 3.34Å; L108-A112 WeakPolarHBondContact O-CB 3.39Å; L108-A112 PolarHBondContact O-N 3.37Å; L108-T120 HydrophobicContact CD1-CG2 3.96Å; L108-L123 HydrophobicContact CB-CD1 4.2Å; L108-L123 HydrophobicContact CD1-CB 3.98Å; L108-L123 HydrophobicContact CD1-CD1 4.32Å; L108-L124 HydrophobicContact CD1-CD2 4.37Å; L108-L124 HydrophobicContact CD1-CG 4.26Å; L108-L124 HydrophobicContact CD2-CD2 3.89Å; L108-P140 HydrophobicContact CD2-CG 4.13Å; L108-P140 HydrophobicContact CG-CB 4.23Å; L108-P140 HydrophobicContact CG-CG 4.03Å; L108-L156 HydrophobicContact CD1-CD2 4.11Å; L108-L156 HydrophobicContact CD2-CD2 4.08Å; L108-L156 HydrophobicContact CG-CD2 4.16Å
109H98.4Very high97.1Very high0 Ų037.5 Ų37.50%021%0.212CC..Hα-helixtrans-64.7-39.9173.8-66.982.2000111.4A105 T106 R113 A132 A138 P140 Y143A105-H109 HydrophobicContact CB-CB 3.97Å; T106-H109 PolarHBondContact N-ND1 2.87Å; T106-H109 VanDerWaalsContact N-ND1 3.16Å; T106-H109 WeakPolarHBondContact O-CB 3.29Å; T106-H109 PolarHBondContact O-N 3.32Å; T106-H109 PolarHBondContact OG1-ND1 2.9Å; H109-R113 VanDerWaalsContact O-CB 3.28Å; H109-R113 WeakPolarHBondContact O-CB 3.28Å; H109-R113 PolarHBondContact O-N 3.31Å; H109-A132 PolarHBondContact NE2-O 2.91Å; H109-A138 PolarHBondContact NE2-O 2.85Å; H109-P140 WeakPolarHBondContact NE2-CD 3.35Å; H109-Y143 HydrophobicContact CB-CD2 4.25Å; H109-Y143 HydrophobicContact CB-CE2 4.36Å; H109-Y143 AromaticContact CD2-CD2 3.82Å; H109-Y143 AromaticContact CD2-CE2 3.71Å
110L98Very high97.3Very high17 Ų1735.5 Ų35.59%0.08920%0.201CC..Hα-helixtrans-73.7-39.4178.7-62.1-178.4000112.3H75 A79 T106 A107 L108 A112 R113 F114H75-L110 HydrophobicContact CB-CD1 3.58Å; A79-L110 HydrophobicContact CB-CB 4.16Å; A79-L110 HydrophobicContact CB-CD1 4.47Å; T106-L110 PolarHBondContact O-N 2.88Å; A107-L110 PolarHBondContact O-N 2.95Å; L108-L110 VanDerWaalsContact C-N 3.34Å; L110-A112 VanDerWaalsContact C-N 3.3Å; L110-A112 PolarHBondContact O-N 3.17Å; L110-R113 PolarHBondContact O-N 2.91Å; L110-F114 VanDerWaalsContact O-CD2 3.29Å; L110-F114 WeakPolarHBondContact O-CD2 3.44Å; L110-F114 PolarHBondContact O-N 3.45Å
111A98.3Very high97.4Very high0 Ų039.9 Ų39.90%022%0.215CC..Hα-helixtrans-57-45.4171.900000111.5A107 G115 R116 V119 L123A107-A111 WeakPolarHBondContact O-CB 3.48Å; A107-A111 PolarHBondContact O-N 3.41Å; A111-G115 PolarHBondContact O-N 3.5Å; A111-G115 VanDerWaalsContact O-N 3.12Å; A111-R116 HydrophobicContact CB-CB 4.32Å; A111-R116 PolarHBondContact O-N 3Å; A111-V119 HydrophobicContact CB-CB 4.28Å; A111-V119 HydrophobicContact CB-CG1 3.6Å; A111-L123 HydrophobicContact CB-CD1 4.12Å
112A98.2Very high97.5Very high0 Ų039.7 Ų39.70%021%0.212CC..Hα-helixtrans-62.3-46.7173.800000112.6L108 L110 F114 G115 P140 A144 L156L108-A112 WeakPolarHBondContact O-CB 3.39Å; L108-A112 PolarHBondContact O-N 3.37Å; L110-A112 VanDerWaalsContact C-N 3.3Å; L110-A112 PolarHBondContact O-N 3.17Å; A112-F114 VanDerWaalsContact C-N 3.25Å; A112-F114 PolarHBondContact O-N 3.31Å; A112-G115 PolarHBondContact O-N 3.13Å; A112-P140 HydrophobicContact CB-CB 4.11Å; A112-P140 WeakPolarHBondContact CB-O 3.12Å; A112-A144 HydrophobicContact CB-CB 4.1Å; A112-L156 HydrophobicContact CB-CD1 3.89Å
113R97.8Very high97.6Very high129 Ų12936 Ų3649%0.48718%0.181SC..Hα-helixtrans-59.5-31-179.7-176.1176.1-176.51782.2113.8H109 L110 Y143 N147H109-R113 VanDerWaalsContact O-CB 3.28Å; H109-R113 WeakPolarHBondContact O-CB 3.28Å; H109-R113 PolarHBondContact O-N 3.31Å; L110-R113 PolarHBondContact O-N 2.91Å; R113-Y143 HydrophobicContact CB-CD1 3.79Å; R113-Y143 HydrophobicContact CB-CG 4.24Å; R113-Y143 HydrophobicContact CG-CD1 3.87Å; R113-N147 WeakPolarHBondContact O-CB 3.33Å; R113-N147 PolarHBondContact O-OD1 3.49Å; R113-N147 VanDerWaalsContact O-OD1 3.12Å
114F97.2Very high97.7Very high89 Ų8935.5 Ų35.539%0.3917%0.173SC..THydrogen-bonded Turntrans-111.115.6-179.3-63-71.1000113.3A79 L110 A112 R116A79-F114 HydrophobicContact CB-CD2 3.64Å; A79-F114 HydrophobicContact CB-CE2 3.71Å; A79-F114 VanDerWaalsContact O-CB 3.32Å; A79-F114 WeakPolarHBondContact O-CB 3.47Å; L110-F114 VanDerWaalsContact O-CD2 3.29Å; L110-F114 WeakPolarHBondContact O-CD2 3.44Å; L110-F114 PolarHBondContact O-N 3.45Å; A112-F114 VanDerWaalsContact C-N 3.25Å; A112-F114 PolarHBondContact O-N 3.31Å; F114-R116 VanDerWaalsContact C-N 3.32Å; F114-R116 HydrophobicContact CB-CG 4.18Å; F114-R116 WeakPolarHBondContact O-CD 3.41Å; F114-R116 PolarHBondContact O-N 3.5Å; F114-R116 PolarHBondContact O-NE 2.92Å
115G96.6Very high97.7Very high24 Ų2438.6 Ų38.625%0.24719%0.191CC..THydrogen-bonded Turntrans64.328.9173.200000114.9A111 A112 V117 N147 C152A111-G115 PolarHBondContact O-N 3.5Å; A111-G115 VanDerWaalsContact O-N 3.12Å; A112-G115 PolarHBondContact O-N 3.13Å; G115-V117 PolarHBondContact O-N 3.02Å; G115-N147 WeakPolarHBondContact CA-ND2 3.33Å; G115-N147 PolarHBondContact N-ND2 3.48Å; G115-C152 VanDerWaalsContact C-SG 3.6Å
116R97.9Very high97.6Very high92 Ų9241.4 Ų41.435%0.34721%0.208SC..  trans-81.982.7-175.1-51.2-52.2-176-171.6-1.4110.5A78 A79 T80 A111 F114 V119 T120A78-R116 WeakPolarHBondContact O-CG 3.39Å; A79-R116 PolarHBondContact O-NE 3.37Å; A79-R116 PolarHBondContact O-NH2 2.95Å; A79-R116 VanDerWaalsContact O-NH2 3.09Å; T80-R116 VanDerWaalsContact O-CZ 3.25Å; T80-R116 PolarHBondContact O-NE 2.9Å; T80-R116 PolarHBondContact O-NH2 3.41Å; A111-R116 HydrophobicContact CB-CB 4.32Å; A111-R116 PolarHBondContact O-N 3Å; F114-R116 VanDerWaalsContact C-N 3.32Å; F114-R116 HydrophobicContact CB-CG 4.18Å; F114-R116 WeakPolarHBondContact O-CD 3.41Å; F114-R116 PolarHBondContact O-N 3.5Å; F114-R116 PolarHBondContact O-NE 2.92Å; R116-V119 HydrophobicContact CB-CB 3.89Å; R116-V119 HydrophobicContact CB-CG2 4.3Å; R116-V119 PolarHBondContact O-N 2.99Å; R116-T120 WeakPolarHBondContact O-CB 3.31Å; R116-T120 PolarHBondContact O-N 2.94Å; R116-T120 PolarHBondContact O-OG1 3.11Å
117V97.8Very high97.3Very high51 Ų5143.7 Ų43.731%0.30923%0.232SC..Hα-helixtrans-55.9-55.9-173.8-175.10000112.2G115 V119 T120 E121 T151 L155G115-V117 PolarHBondContact O-N 3.02Å; V117-V119 VanDerWaalsContact C-N 3.3Å; V117-V119 PolarHBondContact O-N 3.12Å; V117-T120 WeakPolarHBondContact O-CA 3.38Å; V117-T120 WeakPolarHBondContact O-CB 3.39Å; V117-T120 PolarHBondContact O-N 3.45Å; V117-E121 PolarHBondContact O-N 3.13Å; V117-T151 HydrophobicContact CG1-CG2 3.68Å; V117-T151 HydrophobicContact CG2-CG2 4.35Å; V117-L155 HydrophobicContact CG1-CD1 4.13Å
118E97.9Very high97.1Very high133 Ų13343.9 Ų43.962%0.62124%0.235SC*.Hα-helixtrans-57.8-41.2-178.6-60.1176.4-174.600112.4I83 W122I83-E118 HydrophobicContact CD1-CB 4.05Å; E118-W122 WeakPolarHBondContact O-CB 3.46Å; E118-W122 PolarHBondContact O-N 2.8Å
119V98.2Very high97Very high2 Ų246.7 Ų46.71%0.01225%0.252CS..Hα-helixtrans-68.5-37.7176170.40000111.5A78 I83 L86 A111 R116 V117 L123A78-V119 HydrophobicContact CB-CG1 4.07Å; I83-V119 HydrophobicContact CB-CG2 3.92Å; I83-V119 HydrophobicContact CG1-CG2 4.26Å; L86-V119 HydrophobicContact CD2-CG1 3.56Å; A111-V119 HydrophobicContact CB-CB 4.28Å; A111-V119 HydrophobicContact CB-CG1 3.6Å; R116-V119 HydrophobicContact CB-CB 3.89Å; R116-V119 HydrophobicContact CB-CG2 4.3Å; R116-V119 PolarHBondContact O-N 2.99Å; V117-V119 VanDerWaalsContact C-N 3.3Å; V117-V119 PolarHBondContact O-N 3.12Å; V119-L123 HydrophobicContact CG1-CD1 3.71Å; V119-L123 HydrophobicContact CG1-CG 4.23Å; V119-L123 WeakPolarHBondContact O-CB 3.28Å; V119-L123 VanDerWaalsContact O-CG 3.25Å; V119-L123 WeakPolarHBondContact O-CG 3.28Å; V119-L123 PolarHBondContact O-N 2.85Å
120T98.2Very high96.9Very high0 Ų047.1 Ų47.10%026%0.255CS..Hα-helixtrans-65.3-47.5177.4-55.20000110.1L108 R116 V117 L124 C152 L155 L156L108-T120 HydrophobicContact CD1-CG2 3.96Å; R116-T120 WeakPolarHBondContact O-CB 3.31Å; R116-T120 PolarHBondContact O-N 2.94Å; R116-T120 PolarHBondContact O-OG1 3.11Å; V117-T120 WeakPolarHBondContact O-CA 3.38Å; V117-T120 WeakPolarHBondContact O-CB 3.39Å; V117-T120 PolarHBondContact O-N 3.45Å; T120-L124 HydrophobicContact CG2-CD1 4.21Å; T120-L124 VanDerWaalsContact O-CG 3.23Å; T120-L124 WeakPolarHBondContact O-CG 3.39Å; T120-L124 PolarHBondContact O-N 3.19Å; T120-C152 HydrophobicContact CG2-CB 4.3Å; T120-C152 PolarHBondContact OG1-SG 3.28Å; T120-L155 HydrophobicContact CG2-CD1 4.43Å; T120-L156 HydrophobicContact CG2-CD1 4.46Å; T120-L156 HydrophobicContact CG2-CD2 4.35Å; T120-L156 HydrophobicContact CG2-CG 4.13Å
121E97.9Very high96.9Very high116 Ų11650.2 Ų50.254%0.54228%0.275SS..Hα-helixtrans-60.4-49176.4-175.3173.2-150.200111.7V117 L124 S125 L155V117-E121 PolarHBondContact O-N 3.13Å; E121-L124 PolarHBondContact O-N 3.11Å; E121-S125 PolarHBondContact O-N 3.26Å; E121-L155 HydrophobicContact CB-CD1 3.94Å
122W98.1Very high96.8Very high26 Ų2651.1 Ų51.110%0.09828%0.283CS..Hα-helixtrans-65.3-43.6179.1176.781.7000112.4I83 L86 Q87 V90 E91 E118 L124 S125 V126I83-W122 HydrophobicContact CD1-CB 3.91Å; I83-W122 HydrophobicContact CD1-CG 4.32Å; L86-W122 HydrophobicContact CD2-CE3 3.98Å; L86-W122 HydrophobicContact CD2-CZ3 3.72Å; L86-W122 HydrophobicContact CG-CE3 4.34Å; L86-W122 HydrophobicContact CG-CH2 4.39Å; L86-W122 HydrophobicContact CG-CZ3 3.68Å; Q87-W122 HydrophobicContact CB-CZ2 4.17Å; Q87-W122 HydrophobicContact CG-CD2 3.89Å; Q87-W122 HydrophobicContact CG-CE3 4.48Å; Q87-W122 HydrophobicContact CG-CG 4.4Å; Q87-W122 HydrophobicContact CG-CH2 4.16Å; Q87-W122 HydrophobicContact CG-CZ2 3.5Å; Q87-W122 VanDerWaalsContact NE2-CD1 3.33Å; V90-W122 HydrophobicContact CB-CH2 3.93Å; V90-W122 HydrophobicContact CG1-CH2 4.11Å; V90-W122 HydrophobicContact CG2-CH2 4.03Å; E91-W122 HydrophobicContact CG-CZ2 4.48Å; E118-W122 WeakPolarHBondContact O-CB 3.46Å; E118-W122 PolarHBondContact O-N 2.8Å; W122-L124 VanDerWaalsContact C-N 3.32Å; W122-L124 PolarHBondContact O-N 3.14Å; W122-S125 WeakPolarHBondContact CA-OG 3.48Å; W122-S125 WeakPolarHBondContact O-CB 3.39Å; W122-S125 PolarHBondContact O-N 3.38Å; W122-S125 PolarHBondContact O-OG 2.97Å; W122-V126 HydrophobicContact CD2-CG1 4.38Å; W122-V126 HydrophobicContact CE3-CG2 4.44Å; W122-V126 HydrophobicContact CH2-CG1 4.42Å; W122-V126 HydrophobicContact CH2-CG2 4.01Å; W122-V126 HydrophobicContact CZ2-CG1 3.71Å; W122-V126 HydrophobicContact CZ2-CG2 4.13Å; W122-V126 HydrophobicContact CZ3-CG2 4.17Å; W122-V126 PolarHBondContact O-N 3.07Å; W122-V126 VanDerWaalsContact O-N 3.07Å
123L97.7Very high96.7Very high1 Ų156.3 Ų56.31%0.00531%0.307CS..Hα-helixtrans-60-41.1177.1-81.3171.5000111.9L86 V97 A107 L108 A111 V119 V126 G127 G128L86-L123 HydrophobicContact CD2-CD1 4.26Å; L86-L123 HydrophobicContact CD2-CD2 4.17Å; L86-L123 HydrophobicContact CD2-CG 4.13Å; V97-L123 HydrophobicContact CB-CD2 4.04Å; V97-L123 HydrophobicContact CG1-CD2 3.7Å; A107-L123 HydrophobicContact CB-CD1 3.98Å; A107-L123 HydrophobicContact CB-CD2 4.25Å; L108-L123 HydrophobicContact CB-CD1 4.2Å; L108-L123 HydrophobicContact CD1-CB 3.98Å; L108-L123 HydrophobicContact CD1-CD1 4.32Å; A111-L123 HydrophobicContact CB-CD1 4.12Å; V119-L123 HydrophobicContact CG1-CD1 3.71Å; V119-L123 HydrophobicContact CG1-CG 4.23Å; V119-L123 WeakPolarHBondContact O-CB 3.28Å; V119-L123 VanDerWaalsContact O-CG 3.25Å; V119-L123 WeakPolarHBondContact O-CG 3.28Å; V119-L123 PolarHBondContact O-N 2.85Å; L123-V126 WeakPolarHBondContact O-CG2 3.26Å; L123-V126 PolarHBondContact O-N 3.38Å; L123-G127 PolarHBondContact O-N 2.89Å; L123-G128 WeakPolarHBondContact O-CA 3.34Å; L123-G128 PolarHBondContact O-N 3.38Å
124L96.9Very high96.7Very high28 Ų2850.5 Ų50.515%0.14729%0.286CS..Hα-helixtrans-63.2-42.6172.5-67.7169.1000111.3L108 T120 E121 W122 V126 G127 A130 L155 L156 E159L108-L124 HydrophobicContact CD1-CD2 4.37Å; L108-L124 HydrophobicContact CD1-CG 4.26Å; L108-L124 HydrophobicContact CD2-CD2 3.89Å; T120-L124 HydrophobicContact CG2-CD1 4.21Å; T120-L124 VanDerWaalsContact O-CG 3.23Å; T120-L124 WeakPolarHBondContact O-CG 3.39Å; T120-L124 PolarHBondContact O-N 3.19Å; E121-L124 PolarHBondContact O-N 3.11Å; W122-L124 VanDerWaalsContact C-N 3.32Å; W122-L124 PolarHBondContact O-N 3.14Å; L124-V126 VanDerWaalsContact C-N 3.26Å; L124-V126 PolarHBondContact O-N 3.44Å; L124-G127 PolarHBondContact O-N 3.49Å; L124-A130 HydrophobicContact CD2-CB 3.89Å; L124-L155 HydrophobicContact CD1-CB 3.93Å; L124-L156 HydrophobicContact CD1-CD2 4.41Å; L124-L156 HydrophobicContact CD2-CD2 4.29Å; L124-E159 HydrophobicContact CD1-CG 4.24Å; L124-E159 HydrophobicContact CD2-CB 4.46Å; L124-E159 HydrophobicContact CD2-CG 4.27Å
125S96.1Very high96.7Very high90 Ų9051.7 Ų51.763%0.62930%0.301SS*.Hα-helixtrans-63.3-27.2179.6810000114.7E121 W122E121-S125 PolarHBondContact O-N 3.26Å; W122-S125 WeakPolarHBondContact CA-OG 3.48Å; W122-S125 WeakPolarHBondContact O-CB 3.39Å; W122-S125 PolarHBondContact O-N 3.38Å; W122-S125 PolarHBondContact O-OG 2.97Å
126V94.6Very high96.5Very high62 Ų6253.3 Ų53.338%0.37631%0.307SS..THydrogen-bonded Turntrans-94.29.1175.3-57.40000113.4V97 W122 L123 L124V97-V126 HydrophobicContact CG1-CG2 3.93Å; W122-V126 HydrophobicContact CD2-CG1 4.38Å; W122-V126 HydrophobicContact CE3-CG2 4.44Å; W122-V126 HydrophobicContact CH2-CG1 4.42Å; W122-V126 HydrophobicContact CH2-CG2 4.01Å; W122-V126 HydrophobicContact CZ2-CG1 3.71Å; W122-V126 HydrophobicContact CZ2-CG2 4.13Å; W122-V126 HydrophobicContact CZ3-CG2 4.17Å; W122-V126 PolarHBondContact O-N 3.07Å; W122-V126 VanDerWaalsContact O-N 3.07Å; L123-V126 WeakPolarHBondContact O-CG2 3.26Å; L123-V126 PolarHBondContact O-N 3.38Å; L124-V126 VanDerWaalsContact C-N 3.26Å; L124-V126 PolarHBondContact O-N 3.44Å
127G91.5Very high96.4Very high54 Ų5449.6 Ų49.656%0.55730%0.298SS*.THydrogen-bonded Turntrans97.415.7172.100000116.1L123 L124L123-G127 PolarHBondContact O-N 2.89Å; L124-G127 PolarHBondContact O-N 3.49Å
128G94.3Very high96.4Very high7 Ų747.4 Ų47.47%0.07229%0.285CS..  trans-61.9132.117700000113E98 L123 A130E98-G128 VanDerWaalsContact OE1-CA 3.31Å; E98-G128 WeakPolarHBondContact OE1-CA 3.49Å; L123-G128 WeakPolarHBondContact O-CA 3.34Å; L123-G128 PolarHBondContact O-N 3.38Å; G128-A130 PolarHBondContact O-N 3.47Å
129V96Very high96.5Very high59 Ų5941.2 Ų41.236%0.35826%0.256SS..  trans-85.499.3-164.5-176.40000111.9E98 T131 A132E98-V129 HydrophobicContact CG-CG2 4.23Å; E98-V129 PolarHBondContact OE1-N 2.99Å; E98-V129 WeakPolarHBondContact OE2-CB 3.29Å; V129-T131 WeakPolarHBondContact CG1-OG1 3.38Å; V129-T131 PolarHBondContact O-N 3.24Å; V129-A132 HydrophobicContact CB-CB 4.19Å; V129-A132 HydrophobicContact CG1-CB 4.28Å; V129-A132 VanDerWaalsContact O-CB 3.3Å; V129-A132 WeakPolarHBondContact O-CB 3.4Å; V129-A132 PolarHBondContact O-N 2.83Å
130A96.6Very high96.5Very high9 Ų941.1 Ų41.17%0.07426%0.256CS..THydrogen-bonded Turntrans-59.4-11176.400000115.4L124 G128 L156 E159 A160L124-A130 HydrophobicContact CD2-CB 3.89Å; G128-A130 PolarHBondContact O-N 3.47Å; A130-L156 HydrophobicContact CB-CD2 4.05Å; A130-E159 HydrophobicContact CB-CB 4.36Å; A130-A160 HydrophobicContact CB-CB 3.8Å
131T97.1Very high96.5Very high83 Ų8341.1 Ų41.151%0.50926%0.256SS..THydrogen-bonded Turntrans-106.33.1175.2610000114.3V129 A160V129-T131 WeakPolarHBondContact CG1-OG1 3.38Å; V129-T131 PolarHBondContact O-N 3.24Å; T131-A160 HydrophobicContact CG2-CB 3.68Å
132A96.3Very high96.5Very high19 Ų1935.8 Ų35.816%0.15723%0.231CC..  trans-60.6149.8175.600000110.3H109 V129 V139H109-A132 PolarHBondContact NE2-O 2.91Å; V129-A132 HydrophobicContact CB-CB 4.19Å; V129-A132 HydrophobicContact CG1-CB 4.28Å; V129-A132 VanDerWaalsContact O-CB 3.3Å; V129-A132 WeakPolarHBondContact O-CB 3.4Å; V129-A132 PolarHBondContact O-N 2.83Å; A132-V139 VanDerWaalsContact O-CA 3.27Å; A132-V139 WeakPolarHBondContact O-CA 3.4Å; A132-V139 WeakPolarHBondContact O-CB 3.49Å; A132-V139 WeakPolarHBondContact O-CG1 3.48Å
133Q96.7Very high96.5Very high108 Ų10836.6 Ų36.651%0.50524%0.235SC..  trans-124.8135.4-175.2-72.9-176.7-42.800111G137 V139Q133-G137 PolarHBondContact NE2-O 2.8Å; Q133-V139 HydrophobicContact CG-CG1 3.67Å
134T97.4Very high96.5Very high8 Ų836.6 Ų36.65%0.04923%0.234CC..  trans-67.8172.4165.760.90000112A103 A105 C136 G137 A138 Y143A103-T134 CarbonylContact O-C 3.55Å; A103-T134 VanDerWaalsContact O-CA 3.32Å; A103-T134 WeakPolarHBondContact O-CA 3.41Å; A103-T134 WeakPolarHBondContact O-CB 3.18Å; A105-T134 HydrophobicContact CB-CG2 3.92Å; T134-C136 PolarHBondContact O-N 3.4Å; T134-C136 VanDerWaalsContact O-N 3.14Å; T134-C136 PolarHBondContact OG1-N 3.1Å; T134-C136 PolarHBondContact OG1-SG 3.08Å; T134-G137 WeakPolarHBondContact O-CA 3.31Å; T134-G137 PolarHBondContact O-N 2.88Å; T134-A138 PolarHBondContact N-O 3.47Å; T134-A138 VanDerWaalsContact N-O 3.13Å; T134-A138 WeakPolarHBondContact OG1-CB 3.43Å; T134-A138 PolarHBondContact OG1-N 2.92Å; T134-A138 VanDerWaalsContact OG1-N 3.11Å; T134-A138 PolarHBondContact OG1-O 3.34Å; T134-Y143 HydrophobicContact CG2-CE2 3.93Å
135T96.2Very high96.6Very high114 Ų11435.2 Ų35.270%0.69923%0.227SC*.THydrogen-bonded Turntrans-60.2-20173.155.40000113.6A103A103-T135 PolarHBondContact O-N 3.19Å; A103-T135 PolarHBondContact O-OG1 3.07Å
136C93.9Very high96.7Very high57 Ų5732.4 Ų32.439%0.38521%0.209SC..THydrogen-bonded Turntrans-96.817.4170.565.50000113.7T134 A138 T168 A169T134-C136 PolarHBondContact O-N 3.4Å; T134-C136 VanDerWaalsContact O-N 3.14Å; T134-C136 PolarHBondContact OG1-N 3.1Å; T134-C136 PolarHBondContact OG1-SG 3.08Å; C136-A138 PolarHBondContact O-N 3.42Å; C136-T168 WeakPolarHBondContact O-CB 3.45Å; C136-A169 WeakPolarHBondContact O-CB 3.48Å; C136-A169 PolarHBondContact O-N 3.18Å
137G95.7Very high96.8Very high15 Ų1532.5 Ų32.516%0.15521%0.208CC..  trans72.81.617600000115.4Q133 T134 V139Q133-G137 PolarHBondContact NE2-O 2.8Å; T134-G137 WeakPolarHBondContact O-CA 3.31Å; T134-G137 PolarHBondContact O-N 2.88Å; G137-V139 PolarHBondContact O-N 3.42Å
138A97.9Very high97.1Very high5 Ų530.4 Ų30.44%0.04119%0.186CC..  trans-76.8119.8-176.800000110.8H109 T134 C136 H142 Y143 T168H109-A138 PolarHBondContact NE2-O 2.85Å; T134-A138 PolarHBondContact N-O 3.47Å; T134-A138 VanDerWaalsContact N-O 3.13Å; T134-A138 WeakPolarHBondContact OG1-CB 3.43Å; T134-A138 PolarHBondContact OG1-N 2.92Å; T134-A138 VanDerWaalsContact OG1-N 3.11Å; T134-A138 PolarHBondContact OG1-O 3.34Å; C136-A138 PolarHBondContact O-N 3.42Å; A138-H142 HydrophobicContact CB-CB 4.19Å; A138-Y143 HydrophobicContact CB-CE2 3.88Å; A138-T168 HydrophobicContact CB-CG2 3.95Å
139V98.2Very high97.2Very high2 Ų230.7 Ų30.71%0.01219%0.189CC..  trans-80.1162.2166.6-540000111.7A132 Q133 G137 A141 H142 C163A132-V139 VanDerWaalsContact O-CA 3.27Å; A132-V139 WeakPolarHBondContact O-CA 3.4Å; A132-V139 WeakPolarHBondContact O-CB 3.49Å; A132-V139 WeakPolarHBondContact O-CG1 3.48Å; Q133-V139 HydrophobicContact CG-CG1 3.67Å; G137-V139 PolarHBondContact O-N 3.42Å; V139-A141 HydrophobicContact CG2-CB 4.06Å; V139-A141 PolarHBondContact O-N 2.93Å; V139-H142 VanDerWaalsContact CG2-ND1 3.33Å; V139-H142 WeakPolarHBondContact CG2-ND1 3.36Å; V139-H142 PolarHBondContact N-ND1 2.81Å; V139-H142 WeakPolarHBondContact O-CB 3.42Å; V139-H142 PolarHBondContact O-N 3.13Å; V139-H142 PolarHBondContact O-ND1 3.1Å; V139-H142 VanDerWaalsContact O-ND1 3.17Å; V139-C163 HydrophobicContact CG2-CB 3.98Å
140P98.3Very high97.3Very high0 Ų030 Ų300%018%0.183CC..Hα-helixtrans-54.4-29.3-177.8-27.335.1000115L108 H109 A112 H142 Y143 A144 L156L108-P140 HydrophobicContact CD2-CG 4.13Å; L108-P140 HydrophobicContact CG-CB 4.23Å; L108-P140 HydrophobicContact CG-CG 4.03Å; H109-P140 WeakPolarHBondContact NE2-CD 3.35Å; A112-P140 HydrophobicContact CB-CB 4.11Å; A112-P140 WeakPolarHBondContact CB-O 3.12Å; P140-H142 VanDerWaalsContact C-N 3.26Å; P140-H142 PolarHBondContact O-N 3.3Å; P140-Y143 WeakPolarHBondContact O-CB 3.28Å; P140-Y143 PolarHBondContact O-N 3.33Å; P140-Y143 VanDerWaalsContact O-N 3.07Å; P140-A144 PolarHBondContact O-N 3.29Å; P140-L156 HydrophobicContact CB-CD1 3.88Å; P140-L156 HydrophobicContact CB-CD2 3.87Å
141A98.3Very high97.4Very high1 Ų133 Ų331%0.00820%0.2CC..Hα-helixtrans-59.3-32.4175.900000113.4V139 A145 L153 L157 C163 P174V139-A141 HydrophobicContact CG2-CB 4.06Å; V139-A141 PolarHBondContact O-N 2.93Å; A141-A145 VanDerWaalsContact O-CB 3.28Å; A141-A145 WeakPolarHBondContact O-CB 3.37Å; A141-A145 PolarHBondContact O-N 2.85Å; A141-L153 HydrophobicContact CB-CD1 3.86Å; A141-L153 WeakPolarHBondContact O-CD1 3.2Å; A141-L157 HydrophobicContact CB-CD2 4.22Å; A141-C163 HydrophobicContact CB-CB 4.28Å; A141-P174 HydrophobicContact CB-CG 4.47Å
142H98.6Very high97.4Very high3 Ų329 Ų291%0.01418%0.176CC..Hα-helixtrans-64.1-42.5173.5-64.690.7000111.4A138 V139 P140 A145 A146 R166 A172 L177A138-H142 HydrophobicContact CB-CB 4.19Å; V139-H142 VanDerWaalsContact CG2-ND1 3.33Å; V139-H142 WeakPolarHBondContact CG2-ND1 3.36Å; V139-H142 PolarHBondContact N-ND1 2.81Å; V139-H142 WeakPolarHBondContact O-CB 3.42Å; V139-H142 PolarHBondContact O-N 3.13Å; V139-H142 PolarHBondContact O-ND1 3.1Å; V139-H142 VanDerWaalsContact O-ND1 3.17Å; P140-H142 VanDerWaalsContact C-N 3.26Å; P140-H142 PolarHBondContact O-N 3.3Å; H142-A145 PolarHBondContact O-N 3.49Å; H142-A146 WeakPolarHBondContact O-CB 3.33Å; H142-A146 PolarHBondContact O-N 3.1Å; H142-R166 PolarHBondContact NE2-O 3.18Å; H142-A172 PolarHBondContact NE2-O 2.9Å; H142-L177 HydrophobicContact CB-CD1 3.63Å
143Y98.4Very high97.5Very high44 Ų4428.1 Ų28.117%0.17317%0.169CC..Hα-helixtrans-68.9-40.8179.2-72.9-82.1000112.1H109 R113 T134 A138 P140 A145 N147H109-Y143 HydrophobicContact CB-CD2 4.25Å; H109-Y143 HydrophobicContact CB-CE2 4.36Å; H109-Y143 AromaticContact CD2-CD2 3.82Å; H109-Y143 AromaticContact CD2-CE2 3.71Å; R113-Y143 HydrophobicContact CB-CD1 3.79Å; R113-Y143 HydrophobicContact CB-CG 4.24Å; R113-Y143 HydrophobicContact CG-CD1 3.87Å; T134-Y143 HydrophobicContact CG2-CE2 3.93Å; A138-Y143 HydrophobicContact CB-CE2 3.88Å; P140-Y143 WeakPolarHBondContact O-CB 3.28Å; P140-Y143 PolarHBondContact O-N 3.33Å; P140-Y143 VanDerWaalsContact O-N 3.07Å; Y143-A145 VanDerWaalsContact C-N 3.34Å; Y143-N147 VanDerWaalsContact O-CB 3.3Å; Y143-N147 WeakPolarHBondContact O-CB 3.41Å; Y143-N147 PolarHBondContact O-N 2.85Å; Y143-N147 VanDerWaalsContact O-N 3.08Å
144A98.4Very high97.6Very high0 Ų026.3 Ų26.30%016%0.16CC..Hα-helixtrans-63.2-39.9173.200000111.9A112 P140 G148 G149 C152 L153 L156A112-A144 HydrophobicContact CB-CB 4.1Å; P140-A144 PolarHBondContact O-N 3.29Å; A144-G148 PolarHBondContact O-N 3.4Å; A144-G148 VanDerWaalsContact O-N 3.17Å; A144-G149 PolarHBondContact O-N 3.13Å; A144-C152 HydrophobicContact CB-CB 4.06Å; A144-L153 HydrophobicContact CB-CB 3.94Å; A144-L153 HydrophobicContact CB-CD1 4.28Å; A144-L156 HydrophobicContact CB-CD1 3.92Å
145A98.4Very high97.6Very high0 Ų027.5 Ų27.50%017%0.166CC..Hα-helixtrans-69.5-45.217900000112.9A141 H142 Y143 N147 G148 L153 P174 A178 H183 V186A141-A145 VanDerWaalsContact O-CB 3.28Å; A141-A145 WeakPolarHBondContact O-CB 3.37Å; A141-A145 PolarHBondContact O-N 2.85Å; H142-A145 PolarHBondContact O-N 3.49Å; Y143-A145 VanDerWaalsContact C-N 3.34Å; A145-N147 VanDerWaalsContact C-N 3.27Å; A145-N147 PolarHBondContact O-N 3.14Å; A145-G148 PolarHBondContact O-N 2.84Å; A145-G148 VanDerWaalsContact O-N 3.08Å; A145-L153 HydrophobicContact CB-CD1 4.5Å; A145-L153 HydrophobicContact CB-CD2 4.33Å; A145-P174 HydrophobicContact CB-CB 3.96Å; A145-P174 VanDerWaalsContact CB-O 3.28Å; A145-P174 WeakPolarHBondContact CB-O 3.5Å; A145-A178 HydrophobicContact CB-CB 4.36Å; A145-H183 PolarHBondContact O-CD2 3Å; A145-H183 VanDerWaalsContact O-CD2 3.29Å; A145-V186 HydrophobicContact CB-CG1 4.16Å
146A98Very high97.7Very high30 Ų3022.1 Ų22.125%0.24813%0.133CC..Hα-helixtrans-63.2-30.1175.100000113.2H142 L177 E181 H183H142-A146 WeakPolarHBondContact O-CB 3.33Å; H142-A146 PolarHBondContact O-N 3.1Å; A146-L177 HydrophobicContact CB-CB 4.2Å; A146-E181 HydrophobicContact CB-CG 4.43Å; A146-H183 PolarHBondContact O-CD2 3.19Å; A146-H183 PolarHBondContact O-NE2 2.88Å
147N97.4Very high97.8Very high64 Ų6419.5 Ų19.534%0.34212%0.115SC..THydrogen-bonded Turntrans-84.9-6174.8-17670000113.5R113 G115 Y143 A145 G149R113-N147 WeakPolarHBondContact O-CB 3.33Å; R113-N147 PolarHBondContact O-OD1 3.49Å; R113-N147 VanDerWaalsContact O-OD1 3.12Å; G115-N147 WeakPolarHBondContact CA-ND2 3.33Å; G115-N147 PolarHBondContact N-ND2 3.48Å; Y143-N147 VanDerWaalsContact O-CB 3.3Å; Y143-N147 WeakPolarHBondContact O-CB 3.41Å; Y143-N147 PolarHBondContact O-N 2.85Å; Y143-N147 VanDerWaalsContact O-N 3.08Å; A145-N147 VanDerWaalsContact C-N 3.27Å; A145-N147 PolarHBondContact O-N 3.14Å; N147-G149 PolarHBondContact O-N 2.95Å
148G97.1Very high97.9Very high10 Ų1024.7 Ų24.710%0.10314%0.136CC..THydrogen-bonded Turntrans69.414.1-17500000114.3A144 A145 L150 H183 H185A144-G148 PolarHBondContact O-N 3.4Å; A144-G148 VanDerWaalsContact O-N 3.17Å; A145-G148 PolarHBondContact O-N 2.84Å; A145-G148 VanDerWaalsContact O-N 3.08Å; G148-L150 VanDerWaalsContact C-N 3.28Å; G148-L150 PolarHBondContact O-N 3.11Å; G148-H183 WeakPolarHBondContact CA-ND1 3.32Å; G148-H183 PolarHBondContact N-CD2 3.38Å; G148-H183 VanDerWaalsContact N-CD2 3.28Å; G148-H185 PolarHBondContact O-NE2 3.29Å
149G96.3Very high97.8Very high13 Ų1330 Ų3013%0.13416%0.16CC..  trans-77.469.4-174.300000112.6A144 N147 T151 C152 L153A144-G149 PolarHBondContact O-N 3.13Å; N147-G149 PolarHBondContact O-N 2.95Å; G149-T151 VanDerWaalsContact C-N 3.32Å; G149-T151 PolarHBondContact O-N 2.95Å; G149-C152 WeakPolarHBondContact O-CB 3.28Å; G149-C152 PolarHBondContact O-N 3.38Å; G149-L153 PolarHBondContact O-N 3.48Å
150L97.8Very high97.6Very high44 Ų4430.2 Ų30.223%0.2316%0.161CC..Hα-helixtrans-50.5-44.7-173178.559.6000113.5G148 L153 Q154 V186 Y189G148-L150 VanDerWaalsContact C-N 3.28Å; G148-L150 PolarHBondContact O-N 3.11Å; L150-L153 CarbonylContact O-C 3.55Å; L150-L153 WeakPolarHBondContact O-CB 3.12Å; L150-L153 PolarHBondContact O-N 2.8Å; L150-Q154 HydrophobicContact CD1-CG 4.21Å; L150-Q154 HydrophobicContact CG-CG 4.47Å; L150-Q154 WeakPolarHBondContact O-CB 3.38Å; L150-Q154 VanDerWaalsContact O-CG 3.31Å; L150-Q154 WeakPolarHBondContact O-CG 3.32Å; L150-Q154 PolarHBondContact O-N 3.47Å; L150-V186 HydrophobicContact CB-CG2 4.05Å; L150-V186 HydrophobicContact CD1-CG2 4.34Å; L150-Y189 HydrophobicContact CD1-CD1 3.43Å; L150-Y189 VanDerWaalsContact CD1-CD1 3.43Å; L150-Y189 HydrophobicContact CD1-CD2 4.21Å; L150-Y189 HydrophobicContact CD1-CE1 4.09Å; L150-Y189 HydrophobicContact CD1-CG 3.5Å
151T98.1Very high97.5Very high72 Ų7233.7 Ų33.744%0.44218%0.184SC..Hα-helixtrans-67.5-39.5179.9-38.70000112.6V117 G149 L153 Q154 L155V117-T151 HydrophobicContact CG1-CG2 3.68Å; V117-T151 HydrophobicContact CG2-CG2 4.35Å; G149-T151 VanDerWaalsContact C-N 3.32Å; G149-T151 PolarHBondContact O-N 2.95Å; T151-L153 VanDerWaalsContact C-N 3.32Å; T151-L153 PolarHBondContact O-N 2.85Å; T151-Q154 PolarHBondContact O-N 3.1Å; T151-L155 WeakPolarHBondContact O-CG 3.45Å; T151-L155 PolarHBondContact O-N 3.32Å; T151-L155 VanDerWaalsContact O-N 3.1Å
152C97.9Very high97.2Very high0 Ų044.3 Ų44.30%022%0.224CC..Hα-helixtrans-62-42.6171.8-64.40000110.9G115 T120 A144 G149 Q154 L155 L156G115-C152 VanDerWaalsContact C-SG 3.6Å; T120-C152 HydrophobicContact CG2-CB 4.3Å; T120-C152 PolarHBondContact OG1-SG 3.28Å; A144-C152 HydrophobicContact CB-CB 4.06Å; G149-C152 WeakPolarHBondContact O-CB 3.28Å; G149-C152 PolarHBondContact O-N 3.38Å; C152-Q154 VanDerWaalsContact C-N 3.34Å; C152-Q154 PolarHBondContact O-N 2.76Å; C152-L155 PolarHBondContact O-N 3.39Å; C152-L156 WeakPolarHBondContact O-CB 3.4Å; C152-L156 WeakPolarHBondContact O-CD1 3.42Å; C152-L156 WeakPolarHBondContact O-CG 3.02Å; C152-L156 PolarHBondContact O-N 2.91Å
153L98.4Very high97Very high0 Ų044.3 Ų44.30%022%0.224CC..Hα-helixtrans-66.4-35177.7-174.665.5000112.4A141 A144 A145 G149 L150 T151 L157 V186 Y189 L190A141-L153 HydrophobicContact CB-CD1 3.86Å; A141-L153 WeakPolarHBondContact O-CD1 3.2Å; A144-L153 HydrophobicContact CB-CB 3.94Å; A144-L153 HydrophobicContact CB-CD1 4.28Å; A145-L153 HydrophobicContact CB-CD1 4.5Å; A145-L153 HydrophobicContact CB-CD2 4.33Å; G149-L153 PolarHBondContact O-N 3.48Å; L150-L153 CarbonylContact O-C 3.55Å; L150-L153 WeakPolarHBondContact O-CB 3.12Å; L150-L153 PolarHBondContact O-N 2.8Å; T151-L153 VanDerWaalsContact C-N 3.32Å; T151-L153 PolarHBondContact O-N 2.85Å; L153-L157 HydrophobicContact CD1-CD1 3.84Å; L153-L157 HydrophobicContact CD1-CG 3.98Å; L153-L157 HydrophobicContact CG-CD1 3.95Å; L153-L157 HydrophobicContact CG-CG 4.35Å; L153-L157 WeakPolarHBondContact O-CB 3.5Å; L153-L157 WeakPolarHBondContact O-CG 3.37Å; L153-L157 PolarHBondContact O-N 3.35Å; L153-V186 HydrophobicContact CD2-CG1 3.46Å; L153-V186 VanDerWaalsContact CD2-CG1 3.46Å; L153-Y189 HydrophobicContact CD2-CD1 4.25Å; L153-Y189 HydrophobicContact CD2-CE1 4.3Å; L153-Y189 HydrophobicContact CG-CE1 4.3Å; L153-L190 HydrophobicContact CD2-CD1 4.2Å; L153-L190 HydrophobicContact CD2-CD2 4.01Å; L153-L190 HydrophobicContact CD2-CG 3.99Å
154Q98.1Very high97Very high70 Ų7043.1 Ų43.133%0.32722%0.221SC..Hα-helixtrans-62-49.4174.3-80.2167.3-1600111.6L150 T151 C152 Q158 Y189 R194L150-Q154 HydrophobicContact CD1-CG 4.21Å; L150-Q154 HydrophobicContact CG-CG 4.47Å; L150-Q154 WeakPolarHBondContact O-CB 3.38Å; L150-Q154 VanDerWaalsContact O-CG 3.31Å; L150-Q154 WeakPolarHBondContact O-CG 3.32Å; L150-Q154 PolarHBondContact O-N 3.47Å; T151-Q154 PolarHBondContact O-N 3.1Å; C152-Q154 VanDerWaalsContact C-N 3.34Å; C152-Q154 PolarHBondContact O-N 2.76Å; Q154-Q158 WeakPolarHBondContact O-CB 3.43Å; Q154-Q158 PolarHBondContact O-N 3.27Å; Q154-Y189 WeakPolarHBondContact CA-OH 3.28Å; Q154-Y189 HydrophobicContact CG-CD2 4.49Å; Q154-Y189 HydrophobicContact CG-CE1 3.91Å; Q154-Y189 HydrophobicContact CG-CE2 3.76Å; Q154-Y189 VanDerWaalsContact CG-CZ 3.42Å; Q154-Y189 WeakPolarHBondContact CG-OH 3.48Å; Q154-R194 PolarHBondContact O-NH2 3.04Å
155L97.9Very high96.9Very high33 Ų3345.8 Ų45.817%0.17324%0.235CC..Hα-helixtrans-60.1-50174.6-66.5167.9000111.5V117 T120 E121 L124 T151 C152 L157 Q158 E159V117-L155 HydrophobicContact CG1-CD1 4.13Å; T120-L155 HydrophobicContact CG2-CD1 4.43Å; E121-L155 HydrophobicContact CB-CD1 3.94Å; L124-L155 HydrophobicContact CD1-CB 3.93Å; T151-L155 WeakPolarHBondContact O-CG 3.45Å; T151-L155 PolarHBondContact O-N 3.32Å; T151-L155 VanDerWaalsContact O-N 3.1Å; C152-L155 PolarHBondContact O-N 3.39Å; L155-L157 PolarHBondContact O-N 2.98Å; L155-Q158 WeakPolarHBondContact O-CB 3.42Å; L155-Q158 PolarHBondContact O-N 2.91Å; L155-Q158 VanDerWaalsContact O-N 3.1Å; L155-E159 PolarHBondContact O-N 3.14Å; L155-E159 VanDerWaalsContact O-N 3.17Å
156L98.1Very high96.9Very high2 Ų252 Ų521%0.0126%0.259CS..Hα-helixtrans-63.3-38.1-178.2-71.7166.7000113.2L108 A112 T120 L124 A130 P140 A144 C152 A160L108-L156 HydrophobicContact CD1-CD2 4.11Å; L108-L156 HydrophobicContact CD2-CD2 4.08Å; L108-L156 HydrophobicContact CG-CD2 4.16Å; A112-L156 HydrophobicContact CB-CD1 3.89Å; T120-L156 HydrophobicContact CG2-CD1 4.46Å; T120-L156 HydrophobicContact CG2-CD2 4.35Å; T120-L156 HydrophobicContact CG2-CG 4.13Å; L124-L156 HydrophobicContact CD1-CD2 4.41Å; L124-L156 HydrophobicContact CD2-CD2 4.29Å; A130-L156 HydrophobicContact CB-CD2 4.05Å; P140-L156 HydrophobicContact CB-CD1 3.88Å; P140-L156 HydrophobicContact CB-CD2 3.87Å; A144-L156 HydrophobicContact CB-CD1 3.92Å; C152-L156 WeakPolarHBondContact O-CB 3.4Å; C152-L156 WeakPolarHBondContact O-CD1 3.42Å; C152-L156 WeakPolarHBondContact O-CG 3.02Å; C152-L156 PolarHBondContact O-N 2.91Å; L156-A160 WeakPolarHBondContact O-CB 3.46Å; L156-A160 PolarHBondContact O-N 3.21Å
157L97.5Very high96.8Very high1 Ų153.6 Ų53.61%0.00526%0.261CS..Hα-helixtrans-84-9.9175.5-65.5-179.4000113.3A141 L153 L155 P161 C163 V164 Y189 L190 R194A141-L157 HydrophobicContact CB-CD2 4.22Å; L153-L157 HydrophobicContact CD1-CD1 3.84Å; L153-L157 HydrophobicContact CD1-CG 3.98Å; L153-L157 HydrophobicContact CG-CD1 3.95Å; L153-L157 HydrophobicContact CG-CG 4.35Å; L153-L157 WeakPolarHBondContact O-CB 3.5Å; L153-L157 WeakPolarHBondContact O-CG 3.37Å; L153-L157 PolarHBondContact O-N 3.35Å; L155-L157 PolarHBondContact O-N 2.98Å; L157-P161 WeakPolarHBondContact O-CA 3.4Å; L157-P161 WeakPolarHBondContact O-CG 3.24Å; L157-C163 HydrophobicContact CD2-CB 3.93Å; L157-V164 HydrophobicContact CD2-CB 4.35Å; L157-Y189 HydrophobicContact CD1-CE1 4.35Å; L157-L190 HydrophobicContact CD1-CD2 3.71Å; L157-R194 HydrophobicContact CD1-CG 4.26Å; L157-R194 PolarHBondContact O-NH1 2.79Å
158Q96.1Very high96.8Very high125 Ų12551.1 Ų51.158%0.58425%0.249SC*.Hα-helixtrans-73-49.3166.5-176.9175.7-59.900110.1Q154 L155 P161Q154-Q158 WeakPolarHBondContact O-CB 3.43Å; Q154-Q158 PolarHBondContact O-N 3.27Å; L155-Q158 WeakPolarHBondContact O-CB 3.42Å; L155-Q158 PolarHBondContact O-N 2.91Å; L155-Q158 VanDerWaalsContact O-N 3.1Å; Q158-P161 WeakPolarHBondContact O-CD 3.36Å
159E95.9Very high96.7Very high117 Ų11753.7 Ų53.755%0.54727%0.269SS..Hα-helixtrans-74.7-36.7178.3-62-51122.800112.8L124 A130 L155L124-E159 HydrophobicContact CD1-CG 4.24Å; L124-E159 HydrophobicContact CD2-CB 4.46Å; L124-E159 HydrophobicContact CD2-CG 4.27Å; A130-E159 HydrophobicContact CB-CB 4.36Å; L155-E159 PolarHBondContact O-N 3.14Å; L155-E159 VanDerWaalsContact O-N 3.17Å
160A95.4Very high96.6Very high6 Ų657.1 Ų57.15%0.0529%0.287CS..  trans-125.269.7178.500000113.5A130 T131 L156 R162 C163A130-A160 HydrophobicContact CB-CB 3.8Å; T131-A160 HydrophobicContact CG2-CB 3.68Å; L156-A160 WeakPolarHBondContact O-CB 3.46Å; L156-A160 PolarHBondContact O-N 3.21Å; A160-R162 PolarHBondContact O-N 3.46Å; A160-R162 VanDerWaalsContact O-N 3.1Å; A160-C163 HydrophobicContact CB-CB 4.36Å; A160-C163 WeakPolarHBondContact O-CB 3.43Å; A160-C163 PolarHBondContact O-N 3.24Å
161P94.6Very high96.5Very high73 Ų7355 Ų5547%0.47428%0.276SS..G310 helixtrans-56.2-32.4179.5-2432.3000113.8L157 Q158 C163 V164L157-P161 WeakPolarHBondContact O-CA 3.4Å; L157-P161 WeakPolarHBondContact O-CG 3.24Å; Q158-P161 WeakPolarHBondContact O-CD 3.36Å; P161-C163 PolarHBondContact O-N 3.13Å; P161-V164 WeakPolarHBondContact O-CG1 3.47Å; P161-V164 PolarHBondContact O-N 3.03Å
162R92.5Very high96.5Very high224 Ų22451.8 Ų51.885%0.84526%0.257SS*.G310 helixtrans-66.1-4.5177.2-65.7-177.4179172.70.1114.2A160A160-R162 PolarHBondContact O-N 3.46Å; A160-R162 VanDerWaalsContact O-N 3.1Å
163C94.9Very high96.5Very high3 Ų352 Ų522%0.0226%0.258CS..G310 helixtrans-84.3-11.3175.8-72.30000114.3V139 A141 L157 A160 P161 N165 R166V139-C163 HydrophobicContact CG2-CB 3.98Å; A141-C163 HydrophobicContact CB-CB 4.28Å; L157-C163 HydrophobicContact CD2-CB 3.93Å; A160-C163 HydrophobicContact CB-CB 4.36Å; A160-C163 WeakPolarHBondContact O-CB 3.43Å; A160-C163 PolarHBondContact O-N 3.24Å; P161-C163 PolarHBondContact O-N 3.13Å; C163-N165 VanDerWaalsContact C-N 3.33Å; C163-N165 PolarHBondContact O-N 2.99Å; C163-R166 HydrophobicContact CB-CG 4.46Å; C163-R166 PolarHBondContact O-N 3.11Å
164V97.3Very high96.6Very high19 Ų1952 Ų5212%0.11526%0.258CS..THydrogen-bonded Turntrans-55.1-43.2-176.566.60000113.5L157 P161 P174 L190 R194 A196L157-V164 HydrophobicContact CD2-CB 4.35Å; P161-V164 WeakPolarHBondContact O-CG1 3.47Å; P161-V164 PolarHBondContact O-N 3.03Å; V164-P174 WeakPolarHBondContact O-CD 3.34Å; V164-L190 HydrophobicContact CG2-CD2 3.97Å; V164-R194 HydrophobicContact CG2-CB 3.93Å; V164-A196 HydrophobicContact CG2-CB 3.72Å
165N97.4Very high96.6Very high55 Ų5548.7 Ų48.729%0.29424%0.242SC..THydrogen-bonded Turntrans-112.626-179.1-69.7-15000112.2C163 A196 D197 L200C163-N165 VanDerWaalsContact C-N 3.33Å; C163-N165 PolarHBondContact O-N 2.99Å; N165-A196 VanDerWaalsContact OD1-CA 3.25Å; N165-A196 WeakPolarHBondContact OD1-CA 3.29Å; N165-D197 PolarHBondContact ND2-N 2.66Å; N165-D197 PolarHBondContact OD1-N 2.83Å; N165-L200 HydrophobicContact CB-CD1 3.77Å
166R97.2Very high96.6Very high132 Ų13247.8 Ų47.850%0.49824%0.237SC..  trans-71.2149.8169-77.1-67.4-168-178.77.4109.7H142 C163 T173 P174H142-R166 PolarHBondContact NE2-O 3.18Å; C163-R166 HydrophobicContact CB-CG 4.46Å; C163-R166 PolarHBondContact O-N 3.11Å; R166-T173 VanDerWaalsContact O-CA 3.32Å; R166-T173 WeakPolarHBondContact O-CA 3.28Å; R166-P174 VanDerWaalsContact O-CD 3.29Å; R166-P174 WeakPolarHBondContact O-CD 3.43Å
167Q97.5Very high96.6Very high62 Ų6249.1 Ų49.129%0.2924%0.244SC..  trans-115.5144.5177-66.4-178.8-78.500110G171 A172 T173 T201Q167-G171 VanDerWaalsContact CG-O 3.31Å; Q167-G171 WeakPolarHBondContact CG-O 3.47Å; Q167-G171 PolarHBondContact NE2-O 3.23Å; Q167-A172 WeakPolarHBondContact CA-O 3.5Å; Q167-T173 HydrophobicContact CG-CG2 3.8Å; Q167-T201 PolarHBondContact NE2-O 3.39Å
168T97.6Very high96.7Very high13 Ų1349.1 Ų49.18%0.0824%0.244CC..  trans-70.7178.2167.6630000111.8C136 A138 T170 G171 A172C136-T168 WeakPolarHBondContact O-CB 3.45Å; A138-T168 HydrophobicContact CB-CG2 3.95Å; T168-T170 PolarHBondContact O-N 3.07Å; T168-T170 VanDerWaalsContact O-N 3.11Å; T168-T170 PolarHBondContact OG1-N 2.99Å; T168-T170 VanDerWaalsContact OG1-N 3.13Å; T168-T170 PolarHBondContact OG1-OG1 3Å; T168-G171 PolarHBondContact O-N 3.21Å; T168-G171 PolarHBondContact OG1-N 3.09Å; T168-A172 HydrophobicContact CG2-CB 4.48Å; T168-A172 PolarHBondContact N-O 2.8Å; T168-A172 PolarHBondContact OG1-N 3.36Å; T168-A172 VanDerWaalsContact OG1-N 3.16Å
169A95.3Very high96.8Very high63 Ų6343.1 Ų43.152%0.52122%0.216SC..THydrogen-bonded Turntrans-62.8-7.1167.300000114.2C136 Y203C136-A169 WeakPolarHBondContact O-CB 3.48Å; C136-A169 PolarHBondContact O-N 3.18Å; A169-Y203 VanDerWaalsContact O-CD2 3.29Å; A169-Y203 WeakPolarHBondContact O-CD2 3.43Å; A169-Y203 WeakPolarHBondContact O-CE2 3.17Å
170T93.6Very high96.9Very high86 Ų8639.8 Ų39.853%0.52820%0.2SC..THydrogen-bonded Turntrans-105.95.4169.961.50000112.8T168 A172 A202 Y203T168-T170 PolarHBondContact O-N 3.07Å; T168-T170 VanDerWaalsContact O-N 3.11Å; T168-T170 PolarHBondContact OG1-N 2.99Å; T168-T170 VanDerWaalsContact OG1-N 3.13Å; T168-T170 PolarHBondContact OG1-OG1 3Å; T170-A172 VanDerWaalsContact C-N 3.26Å; T170-A172 PolarHBondContact O-N 2.81Å; T170-A202 WeakPolarHBondContact O-CB 3.28Å; T170-Y203 VanDerWaalsContact C-CD2 3.46Å; T170-Y203 PolarHBondContact O-N 2.82Å
171G96.1Very high97Very high0 Ų042.7 Ų42.70%021%0.213CC..  trans81.7-6.3-177.500000114.9Q167 T168 T173Q167-G171 VanDerWaalsContact CG-O 3.31Å; Q167-G171 WeakPolarHBondContact CG-O 3.47Å; Q167-G171 PolarHBondContact NE2-O 3.23Å; T168-G171 PolarHBondContact O-N 3.21Å; T168-G171 PolarHBondContact OG1-N 3.09Å; G171-T173 PolarHBondContact O-N 3.39Å
172A97.7Very high97.1Very high4 Ų440.5 Ų40.53%0.03320%0.204CC..  trans-69.2132.1-177.100000111.8H142 Q167 T168 T170 Y176 L177H142-A172 PolarHBondContact NE2-O 2.9Å; Q167-A172 WeakPolarHBondContact CA-O 3.5Å; T168-A172 HydrophobicContact CG2-CB 4.48Å; T168-A172 PolarHBondContact N-O 2.8Å; T168-A172 PolarHBondContact OG1-N 3.36Å; T168-A172 VanDerWaalsContact OG1-N 3.16Å; T170-A172 VanDerWaalsContact C-N 3.26Å; T170-A172 PolarHBondContact O-N 2.81Å; A172-Y176 HydrophobicContact CB-CD1 3.58Å; A172-Y176 HydrophobicContact CB-CE1 4.1Å; A172-Y176 HydrophobicContact CB-CG 4.07Å; A172-L177 HydrophobicContact CB-CD2 4.3Å; A172-L177 HydrophobicContact CB-CG 4.37Å
173T98.4Very high97.4Very high3 Ų333 Ų332%0.01818%0.178CC..  trans-91.2167.6173.562.20000112.2R166 Q167 G171 L175 Y176 L177 L200R166-T173 VanDerWaalsContact O-CA 3.32Å; R166-T173 WeakPolarHBondContact O-CA 3.28Å; Q167-T173 HydrophobicContact CG-CG2 3.8Å; G171-T173 PolarHBondContact O-N 3.39Å; T173-L175 PolarHBondContact O-N 3.4Å; T173-L175 PolarHBondContact OG1-N 2.79Å; T173-Y176 WeakPolarHBondContact O-CB 3.47Å; T173-Y176 PolarHBondContact O-N 2.89Å; T173-Y176 WeakPolarHBondContact OG1-CB 3.37Å; T173-Y176 PolarHBondContact OG1-N 3.35Å; T173-L177 WeakPolarHBondContact O-CG 3.43Å; T173-L177 PolarHBondContact O-N 3.44Å; T173-L200 HydrophobicContact CG2-CB 4.03Å; T173-L200 HydrophobicContact CG2-CD1 3.88Å
174P98.5Very high97.6Very high0 Ų035 Ų350%019%0.188CC..Hα-helixtrans-53.8-37.1167-27.135.3000112.9A141 A145 V164 R166 A178 L190A141-P174 HydrophobicContact CB-CG 4.47Å; A145-P174 HydrophobicContact CB-CB 3.96Å; A145-P174 VanDerWaalsContact CB-O 3.28Å; A145-P174 WeakPolarHBondContact CB-O 3.5Å; V164-P174 WeakPolarHBondContact O-CD 3.34Å; R166-P174 VanDerWaalsContact O-CD 3.29Å; R166-P174 WeakPolarHBondContact O-CD 3.43Å; P174-A178 WeakPolarHBondContact O-CB 3.44Å; P174-A178 PolarHBondContact O-N 3.45Å; P174-L190 HydrophobicContact CB-CD1 4.26Å; P174-L190 HydrophobicContact CB-CD2 4.44Å
175L98.6Very high97.6Very high1 Ų138 Ų381%0.00520%0.201CC..Hα-helixtrans-66.3-47.3175.2177.662.3000111.6T173 L177 A178 C179 A187 L190 V191 A196 V198 C208T173-L175 PolarHBondContact O-N 3.4Å; T173-L175 PolarHBondContact OG1-N 2.79Å; L175-L177 VanDerWaalsContact C-N 3.27Å; L175-L177 PolarHBondContact O-N 2.96Å; L175-A178 PolarHBondContact O-N 3.21Å; L175-C179 WeakPolarHBondContact O-CB 3.48Å; L175-C179 PolarHBondContact O-N 3.14Å; L175-C179 PolarHBondContact O-SG 3.32Å; L175-A187 HydrophobicContact CD1-CB 4.01Å; L175-L190 HydrophobicContact CB-CD1 4.19Å; L175-L190 HydrophobicContact CD1-CB 4.27Å; L175-L190 HydrophobicContact CD1-CD1 4.42Å; L175-V191 HydrophobicContact CD1-CG2 3.9Å; L175-V191 HydrophobicContact CD2-CG2 3.76Å; L175-A196 HydrophobicContact CB-CB 4.24Å; L175-A196 HydrophobicContact CD2-CB 4Å; L175-V198 HydrophobicContact CD2-CG1 4.01Å; L175-C208 HydrophobicContact CG-CB 4.37Å
176Y98.5Very high97.7Very high15 Ų1535.4 Ų35.46%0.05919%0.187CC..Hα-helixtrans-52.9-46.6175.5-176.4-80.6000111.4A172 T173 C179 Q180 A202 M206 A211A172-Y176 HydrophobicContact CB-CD1 3.58Å; A172-Y176 HydrophobicContact CB-CE1 4.1Å; A172-Y176 HydrophobicContact CB-CG 4.07Å; T173-Y176 WeakPolarHBondContact O-CB 3.47Å; T173-Y176 PolarHBondContact O-N 2.89Å; T173-Y176 WeakPolarHBondContact OG1-CB 3.37Å; T173-Y176 PolarHBondContact OG1-N 3.35Å; Y176-C179 PolarHBondContact O-N 3.39Å; Y176-Q180 WeakPolarHBondContact O-CB 3.32Å; Y176-Q180 PolarHBondContact O-N 3.21Å; Y176-A202 HydrophobicContact CD2-CB 4.31Å; Y176-A202 HydrophobicContact CE2-CB 3.8Å; Y176-M206 HydrophobicContact CE2-CB 3.98Å; Y176-M206 WeakPolarHBondContact CE2-O 3.2Å; Y176-A211 HydrophobicContact CD1-CB 4.35Å; Y176-A211 HydrophobicContact CD2-CB 4.2Å; Y176-A211 HydrophobicContact CE1-CB 3.93Å; Y176-A211 HydrophobicContact CE2-CB 3.76Å; Y176-A211 HydrophobicContact CG-CB 4.47Å
177L98.5Very high97.7Very high30 Ų3029.1 Ų29.116%0.15716%0.163CC..Hα-helixtrans-69.6-39.3179.6-65.5172.9000113.1H142 A146 A172 T173 L175 C179 Q180 E181H142-L177 HydrophobicContact CB-CD1 3.63Å; A146-L177 HydrophobicContact CB-CB 4.2Å; A172-L177 HydrophobicContact CB-CD2 4.3Å; A172-L177 HydrophobicContact CB-CG 4.37Å; T173-L177 WeakPolarHBondContact O-CG 3.43Å; T173-L177 PolarHBondContact O-N 3.44Å; L175-L177 VanDerWaalsContact C-N 3.27Å; L175-L177 PolarHBondContact O-N 2.96Å; L177-C179 VanDerWaalsContact C-N 3.28Å; L177-C179 PolarHBondContact O-N 2.89Å; L177-Q180 PolarHBondContact O-N 2.86Å; L177-E181 PolarHBondContact O-N 2.9Å
178A98.6Very high97.8Very high0 Ų029.3 Ų29.30%016%0.164CC..Hα-helixtrans-61.5-39.2172.600000111.7A145 P174 L175 G182 H183 V186 A187 L190A145-A178 HydrophobicContact CB-CB 4.36Å; P174-A178 WeakPolarHBondContact O-CB 3.44Å; P174-A178 PolarHBondContact O-N 3.45Å; L175-A178 PolarHBondContact O-N 3.21Å; A178-G182 PolarHBondContact O-N 3.27Å; A178-H183 PolarHBondContact O-N 3.46Å; A178-V186 HydrophobicContact CB-CB 4.19Å; A178-V186 HydrophobicContact CB-CG1 3.59Å; A178-A187 HydrophobicContact CB-CB 4.47Å; A178-L190 HydrophobicContact CB-CD1 4.21Å
179C98.5Very high97.8Very high0 Ų029.6 Ų29.60%016%0.164CC..Hα-helixtrans-70.8-39.8176.9-70.40000112.9L175 Y176 L177 G182 C208 A212 R217 V220L175-C179 WeakPolarHBondContact O-CB 3.48Å; L175-C179 PolarHBondContact O-N 3.14Å; L175-C179 PolarHBondContact O-SG 3.32Å; Y176-C179 PolarHBondContact O-N 3.39Å; L177-C179 VanDerWaalsContact C-N 3.28Å; L177-C179 PolarHBondContact O-N 2.89Å; C179-G182 PolarHBondContact O-N 3.35Å; C179-C208 HydrophobicContact CB-CB 3.99Å; C179-C208 WeakPolarHBondContact CB-O 3.15Å; C179-A212 HydrophobicContact CB-CB 4.28Å; C179-R217 WeakPolarHBondContact O-CG 3.4Å; C179-V220 HydrophobicContact CB-CG1 3.94Å
180Q97.9Very high97.9Very high47 Ų4726.6 Ų26.622%0.2214%0.139CC..Hα-helixtrans-60.5-44.3173.5-171.6-175-83.300111.7Y176 L177 A211 M215 R217Y176-Q180 WeakPolarHBondContact O-CB 3.32Å; Y176-Q180 PolarHBondContact O-N 3.21Å; L177-Q180 PolarHBondContact O-N 2.86Å; Q180-A211 HydrophobicContact CB-CB 4.11Å; Q180-M215 HydrophobicContact CG-CG 3.73Å; Q180-M215 WeakPolarHBondContact O-CB 3.45Å; Q180-M215 WeakPolarHBondContact O-CG 3.47Å; Q180-R217 PolarHBondContact O-NE 3.15Å; Q180-R217 PolarHBondContact O-NH2 2.95Å
181E97.6Very high98.1Very high67 Ų6724 Ų2431%0.31312%0.123SC..Hα-helixtrans-87.3-6.1-178-57.9-47.2146.300114.5A146 L177 H183 R217A146-E181 HydrophobicContact CB-CG 4.43Å; L177-E181 PolarHBondContact O-N 2.9Å; E181-H183 WeakPolarHBondContact CB-NE2 3.34Å; E181-R217 PolarHBondContact O-NE 3.05Å; E181-R217 IonicContact OE2-NH2 2.71Å; E181-R217 PolarHBondContact OE2-NH2 3.43Å; E181-R217 VanDerWaalsContact OE2-NH2 3.15Å
182G97.5Very high98.2Very high27 Ų2728.3 Ų28.328%0.27815%0.15SC..THydrogen-bonded Turntrans87.613.9172.100000115.4A178 C179 L184A178-G182 PolarHBondContact O-N 3.27Å; C179-G182 PolarHBondContact O-N 3.35Å; G182-L184 VanDerWaalsContact C-N 3.29Å; G182-L184 PolarHBondContact O-N 3.21Å
183H98.4Very high98.1Very high66 Ų6633.3 Ų33.331%0.30618%0.176SC..  trans-79.373.1-175.1-60.7-58.3000111.8A145 A146 G148 A178 E181 H185 V186 A187A145-H183 PolarHBondContact O-CD2 3Å; A145-H183 VanDerWaalsContact O-CD2 3.29Å; A146-H183 PolarHBondContact O-CD2 3.19Å; A146-H183 PolarHBondContact O-NE2 2.88Å; G148-H183 WeakPolarHBondContact CA-ND1 3.32Å; G148-H183 PolarHBondContact N-CD2 3.38Å; G148-H183 VanDerWaalsContact N-CD2 3.28Å; A178-H183 PolarHBondContact O-N 3.46Å; E181-H183 WeakPolarHBondContact CB-NE2 3.34Å; H183-H185 VanDerWaalsContact C-N 3.29Å; H183-H185 PolarHBondContact O-N 3.47Å; H183-V186 HydrophobicContact CB-CB 4.01Å; H183-V186 HydrophobicContact CB-CG2 4.33Å; H183-V186 WeakPolarHBondContact O-CA 3.46Å; H183-V186 WeakPolarHBondContact O-CB 3.44Å; H183-V186 PolarHBondContact O-N 3.04Å; H183-A187 PolarHBondContact O-N 2.91Å
184L98.3Very high98Very high45 Ų4536.9 Ų36.924%0.23619%0.189CC..Hα-helixtrans-50.2-44.3-176.6174.259.8000113.5G182 V186 A187 Q188 A219 V220 W223G182-L184 VanDerWaalsContact C-N 3.29Å; G182-L184 PolarHBondContact O-N 3.21Å; L184-V186 VanDerWaalsContact C-N 3.26Å; L184-V186 PolarHBondContact O-N 2.98Å; L184-A187 PolarHBondContact O-N 3.31Å; L184-Q188 HydrophobicContact CD1-CG 3.96Å; L184-Q188 HydrophobicContact CG-CG 4.42Å; L184-Q188 WeakPolarHBondContact O-CB 3.47Å; L184-Q188 VanDerWaalsContact O-CG 3.28Å; L184-Q188 WeakPolarHBondContact O-CG 3.44Å; L184-Q188 PolarHBondContact O-N 3.38Å; L184-A219 HydrophobicContact CD2-CB 4.06Å; L184-V220 HydrophobicContact CB-CG2 4.12Å; L184-W223 HydrophobicContact CD1-CB 3.39Å; L184-W223 HydrophobicContact CD1-CD2 3.99Å; L184-W223 HydrophobicContact CD1-CE3 4.32Å; L184-W223 HydrophobicContact CD1-CG 3.54Å
185H98.3Very high97.8Very high82 Ų8239.3 Ų39.338%0.3821%0.214SC..Hα-helixtrans-63.8-29.2178.860.1-61.6000113.2G148 H183 Y189G148-H185 PolarHBondContact O-NE2 3.29Å; H183-H185 VanDerWaalsContact C-N 3.29Å; H183-H185 PolarHBondContact O-N 3.47Å; H185-Y189 WeakPolarHBondContact O-CB 3.4Å; H185-Y189 PolarHBondContact O-N 2.9Å
186V98.6Very high97.7Very high0 Ų039.7 Ų39.70%022%0.217CC..Hα-helixtrans-80.4-43.3172.9168.20000111.3A145 L150 L153 A178 H183 L184 Q188 Y189 L190A145-V186 HydrophobicContact CB-CG1 4.16Å; L150-V186 HydrophobicContact CB-CG2 4.05Å; L150-V186 HydrophobicContact CD1-CG2 4.34Å; L153-V186 HydrophobicContact CD2-CG1 3.46Å; L153-V186 VanDerWaalsContact CD2-CG1 3.46Å; A178-V186 HydrophobicContact CB-CB 4.19Å; A178-V186 HydrophobicContact CB-CG1 3.59Å; H183-V186 HydrophobicContact CB-CB 4.01Å; H183-V186 HydrophobicContact CB-CG2 4.33Å; H183-V186 WeakPolarHBondContact O-CA 3.46Å; H183-V186 WeakPolarHBondContact O-CB 3.44Å; H183-V186 PolarHBondContact O-N 3.04Å; L184-V186 VanDerWaalsContact C-N 3.26Å; L184-V186 PolarHBondContact O-N 2.98Å; V186-Q188 VanDerWaalsContact C-N 3.31Å; V186-Q188 PolarHBondContact O-N 3.08Å; V186-Y189 PolarHBondContact O-N 3.23Å; V186-L190 HydrophobicContact CG1-CD1 3.69Å; V186-L190 HydrophobicContact CG1-CG 4.21Å; V186-L190 WeakPolarHBondContact O-CB 3.3Å; V186-L190 WeakPolarHBondContact O-CG 3.35Å; V186-L190 PolarHBondContact O-N 3.22Å
187A98.3Very high97.6Very high0 Ų041.9 Ų41.90%023%0.23CC..Hα-helixtrans-60.5-42.3177.500000111.6L175 A178 H183 L184 V191L175-A187 HydrophobicContact CD1-CB 4.01Å; A178-A187 HydrophobicContact CB-CB 4.47Å; H183-A187 PolarHBondContact O-N 2.91Å; L184-A187 PolarHBondContact O-N 3.31Å; A187-V191 WeakPolarHBondContact O-CG2 3.32Å; A187-V191 PolarHBondContact O-N 3.25Å
188Q98.3Very high97.5Very high66 Ų6640.7 Ų40.731%0.30822%0.224SC..Hα-helixtrans-54-67169.9-78.8170.4-14.700110.7L184 V186 L190 V191 T192 W223L184-Q188 HydrophobicContact CD1-CG 3.96Å; L184-Q188 HydrophobicContact CG-CG 4.42Å; L184-Q188 WeakPolarHBondContact O-CB 3.47Å; L184-Q188 VanDerWaalsContact O-CG 3.28Å; L184-Q188 WeakPolarHBondContact O-CG 3.44Å; L184-Q188 PolarHBondContact O-N 3.38Å; V186-Q188 VanDerWaalsContact C-N 3.31Å; V186-Q188 PolarHBondContact O-N 3.08Å; Q188-L190 PolarHBondContact O-N 3.12Å; Q188-L190 VanDerWaalsContact O-N 3.14Å; Q188-V191 PolarHBondContact O-N 3.37Å; Q188-T192 PolarHBondContact O-N 3.07Å; Q188-T192 PolarHBondContact O-OG1 3.32Å; Q188-W223 HydrophobicContact CB-CZ2 4.45Å; Q188-W223 HydrophobicContact CG-CD2 3.81Å; Q188-W223 VanDerWaalsContact CG-CE2 3.49Å; Q188-W223 HydrophobicContact CG-CE3 4.35Å; Q188-W223 HydrophobicContact CG-CG 4.26Å; Q188-W223 HydrophobicContact CG-CH2 4.38Å; Q188-W223 HydrophobicContact CG-CZ2 3.82Å; Q188-W223 VanDerWaalsContact NE2-CD1 3.32Å
189Y98.4Very high97.4Very high19 Ų1944.7 Ų44.78%0.07524%0.243CC..Hα-helixtrans-53.2-38.1-177.8165.4-99.9000113.9L150 L153 Q154 L157 H185 V186 D193 R194L150-Y189 HydrophobicContact CD1-CD1 3.43Å; L150-Y189 VanDerWaalsContact CD1-CD1 3.43Å; L150-Y189 HydrophobicContact CD1-CD2 4.21Å; L150-Y189 HydrophobicContact CD1-CE1 4.09Å; L150-Y189 HydrophobicContact CD1-CG 3.5Å; L153-Y189 HydrophobicContact CD2-CD1 4.25Å; L153-Y189 HydrophobicContact CD2-CE1 4.3Å; L153-Y189 HydrophobicContact CG-CE1 4.3Å; Q154-Y189 WeakPolarHBondContact CA-OH 3.28Å; Q154-Y189 HydrophobicContact CG-CD2 4.49Å; Q154-Y189 HydrophobicContact CG-CE1 3.91Å; Q154-Y189 HydrophobicContact CG-CE2 3.76Å; Q154-Y189 VanDerWaalsContact CG-CZ 3.42Å; Q154-Y189 WeakPolarHBondContact CG-OH 3.48Å; L157-Y189 HydrophobicContact CD1-CE1 4.35Å; H185-Y189 WeakPolarHBondContact O-CB 3.4Å; H185-Y189 PolarHBondContact O-N 2.9Å; V186-Y189 PolarHBondContact O-N 3.23Å; Y189-D193 HydrophobicContact CD2-CB 3.6Å; Y189-D193 HydrophobicContact CE2-CB 3.82Å; Y189-D193 HydrophobicContact CG-CB 4.47Å; Y189-D193 WeakPolarHBondContact O-CB 3.23Å; Y189-D193 PolarHBondContact O-N 2.87Å; Y189-D193 VanDerWaalsContact O-N 3.13Å; Y189-R194 HydrophobicContact CE1-CG 3.98Å; Y189-R194 HydrophobicContact CE2-CG 4.15Å; Y189-R194 PolarHBondContact O-N 3.47Å; Y189-R194 VanDerWaalsContact OH-CZ 3.27Å; Y189-R194 PolarHBondContact OH-NE 3.03Å; Y189-R194 PolarHBondContact OH-NH2 2.85Å
190L98.3Very high97.3Very high0 Ų046.9 Ų46.90%025%0.254CS..Hα-helixtrans-60.9-46.4175.9-81.1170.2000111.7L153 L157 V164 P174 L175 A178 V186 Q188 R194 G195 A196L153-L190 HydrophobicContact CD2-CD1 4.2Å; L153-L190 HydrophobicContact CD2-CD2 4.01Å; L153-L190 HydrophobicContact CD2-CG 3.99Å; L157-L190 HydrophobicContact CD1-CD2 3.71Å; V164-L190 HydrophobicContact CG2-CD2 3.97Å; P174-L190 HydrophobicContact CB-CD1 4.26Å; P174-L190 HydrophobicContact CB-CD2 4.44Å; L175-L190 HydrophobicContact CB-CD1 4.19Å; L175-L190 HydrophobicContact CD1-CB 4.27Å; L175-L190 HydrophobicContact CD1-CD1 4.42Å; A178-L190 HydrophobicContact CB-CD1 4.21Å; V186-L190 HydrophobicContact CG1-CD1 3.69Å; V186-L190 HydrophobicContact CG1-CG 4.21Å; V186-L190 WeakPolarHBondContact O-CB 3.3Å; V186-L190 WeakPolarHBondContact O-CG 3.35Å; V186-L190 PolarHBondContact O-N 3.22Å; Q188-L190 PolarHBondContact O-N 3.12Å; Q188-L190 VanDerWaalsContact O-N 3.14Å; L190-R194 CarbonylContact O-C 3.55Å; L190-R194 WeakPolarHBondContact O-CB 3.36Å; L190-R194 PolarHBondContact O-N 2.98Å; L190-G195 PolarHBondContact O-N 3.39Å; L190-G195 VanDerWaalsContact O-N 3.12Å; L190-A196 VanDerWaalsContact C-CB 3.49Å; L190-A196 HydrophobicContact CB-CB 3.86Å; L190-A196 WeakPolarHBondContact O-CB 3.35Å; L190-A196 PolarHBondContact O-N 3.26Å
191V97.8Very high97.2Very high31 Ų3147.5 Ų47.519%0.18826%0.261CS..Hα-helixtrans-78.5-53.4-179.3176.20000111.5L175 A187 Q188 G195 A196 V198 W223 T228L175-V191 HydrophobicContact CD1-CG2 3.9Å; L175-V191 HydrophobicContact CD2-CG2 3.76Å; A187-V191 WeakPolarHBondContact O-CG2 3.32Å; A187-V191 PolarHBondContact O-N 3.25Å; Q188-V191 PolarHBondContact O-N 3.37Å; V191-G195 WeakPolarHBondContact O-CA 3.37Å; V191-G195 PolarHBondContact O-N 3.16Å; V191-G195 VanDerWaalsContact O-N 3.14Å; V191-A196 HydrophobicContact CG2-CB 4.32Å; V191-V198 HydrophobicContact CG1-CG1 4.32Å; V191-V198 HydrophobicContact CG2-CG1 3.8Å; V191-W223 HydrophobicContact CB-CH2 3.86Å; V191-W223 HydrophobicContact CG1-CH2 4.07Å; V191-W223 HydrophobicContact CG2-CH2 4.17Å; V191-W223 HydrophobicContact CG2-CZ3 4.33Å; V191-T228 HydrophobicContact CG1-CG2 4.29Å
192T96.4Very high97.1Very high92 Ų9244.4 Ų44.456%0.56425%0.247SC*.Hα-helixtrans-73.6-39.5-170.653.10000113.9Q188 W223Q188-T192 PolarHBondContact O-N 3.07Å; Q188-T192 PolarHBondContact O-OG1 3.32Å; T192-W223 HydrophobicContact CG2-CZ2 4.16Å
193D96.4Very high96.9Very high109 Ų10948.7 Ų48.758%0.58326%0.256SS*.THydrogen-bonded Turntrans-102.4-24.6-172.6-59.1-125.4000112Y189Y189-D193 HydrophobicContact CD2-CB 3.6Å; Y189-D193 HydrophobicContact CE2-CB 3.82Å; Y189-D193 HydrophobicContact CG-CB 4.47Å; Y189-D193 WeakPolarHBondContact O-CB 3.23Å; Y189-D193 PolarHBondContact O-N 2.87Å; Y189-D193 VanDerWaalsContact O-N 3.13Å
194R96.6Very high96.4Very high77 Ų7748.9 Ų48.929%0.29126%0.259SS..THydrogen-bonded Turntrans-120.2-2.8-174.6-60.6-58.2-168.3130.510.3115.4Q154 L157 V164 Y189 L190Q154-R194 PolarHBondContact O-NH2 3.04Å; L157-R194 HydrophobicContact CD1-CG 4.26Å; L157-R194 PolarHBondContact O-NH1 2.79Å; V164-R194 HydrophobicContact CG2-CB 3.93Å; Y189-R194 HydrophobicContact CE1-CG 3.98Å; Y189-R194 HydrophobicContact CE2-CG 4.15Å; Y189-R194 PolarHBondContact O-N 3.47Å; Y189-R194 VanDerWaalsContact OH-CZ 3.27Å; Y189-R194 PolarHBondContact OH-NE 3.03Å; Y189-R194 PolarHBondContact OH-NH2 2.85Å; L190-R194 CarbonylContact O-C 3.55Å; L190-R194 WeakPolarHBondContact O-CB 3.36Å; L190-R194 PolarHBondContact O-N 2.98Å
195G94.1Very high96.2Very high52 Ų5247.2 Ų47.254%0.53625%0.253SS..  trans64.937.8175.200000113.7L190 V191L190-G195 PolarHBondContact O-N 3.39Å; L190-G195 VanDerWaalsContact O-N 3.12Å; V191-G195 WeakPolarHBondContact O-CA 3.37Å; V191-G195 PolarHBondContact O-N 3.16Å; V191-G195 VanDerWaalsContact O-N 3.14Å
196A97.2Very high96.1Very high8 Ų844 Ų447%0.06624%0.238CC..  trans-61.8137.1172.500000110.9V164 N165 L175 L190 V191 V198V164-A196 HydrophobicContact CG2-CB 3.72Å; N165-A196 VanDerWaalsContact OD1-CA 3.25Å; N165-A196 WeakPolarHBondContact OD1-CA 3.29Å; L175-A196 HydrophobicContact CB-CB 4.24Å; L175-A196 HydrophobicContact CD2-CB 4Å; L190-A196 VanDerWaalsContact C-CB 3.49Å; L190-A196 HydrophobicContact CB-CB 3.86Å; L190-A196 WeakPolarHBondContact O-CB 3.35Å; L190-A196 PolarHBondContact O-N 3.26Å; V191-A196 HydrophobicContact CG2-CB 4.32Å; A196-V198 PolarHBondContact O-N 3.1Å
197D96.3Very high96Very high62 Ų6244.2 Ų44.233%0.33224%0.24SC..  trans-85.1114.6-177.3-175.3-7000110.3N165 H199 L200N165-D197 PolarHBondContact ND2-N 2.66Å; N165-D197 PolarHBondContact OD1-N 2.83Å; D197-H199 VanDerWaalsContact C-N 3.25Å; D197-H199 PolarHBondContact O-N 3.23Å; D197-H199 WeakPolarHBondContact OD1-CB 3.48Å; D197-H199 IonicContact OD1-CD2 2.64Å; D197-H199 IonicContact OD1-CG 3.2Å; D197-H199 PolarHBondContact OD1-N 2.99Å; D197-L200 HydrophobicContact CB-CD1 3.86Å; D197-L200 HydrophobicContact CB-CG 3.89Å
198V96.7Very high96Very high5 Ų544.4 Ų44.43%0.0324%0.241CC..THydrogen-bonded Turntrans-72.7-17.6-179.6-59.20000113L175 V191 A196 T228 V230L175-V198 HydrophobicContact CD2-CG1 4.01Å; V191-V198 HydrophobicContact CG1-CG1 4.32Å; V191-V198 HydrophobicContact CG2-CG1 3.8Å; A196-V198 PolarHBondContact O-N 3.1Å; V198-T228 HydrophobicContact CG1-CG2 4.19Å; V198-V230 HydrophobicContact CG2-CB 4.49Å
199H95.6Very high96Very high84 Ų8441.2 Ų41.239%0.38923%0.226SC..THydrogen-bonded Turntrans-91.5-7.9-175.6-56.5-72.2000113.1D197 T201 D229D197-H199 VanDerWaalsContact C-N 3.25Å; D197-H199 PolarHBondContact O-N 3.23Å; D197-H199 WeakPolarHBondContact OD1-CB 3.48Å; D197-H199 IonicContact OD1-CD2 2.64Å; D197-H199 IonicContact OD1-CG 3.2Å; D197-H199 PolarHBondContact OD1-N 2.99Å; H199-T201 PolarHBondContact O-N 3.42Å; H199-D229 IonicContact CD2-OD2 2.8Å; H199-D229 PolarHBondContact CE1-O 3.36Å; H199-D229 IonicContact CE1-OD1 3.19Å; H199-D229 IonicContact CE1-OD2 2.72Å; H199-D229 PolarHBondContact CE1-OD2 3.35Å; H199-D229 VanDerWaalsContact NE2-CG 3.28Å; H199-D229 IonicContact NE2-OD1 2.62Å; H199-D229 PolarHBondContact NE2-OD1 2.83Å; H199-D229 IonicContact NE2-OD2 2.92Å; H199-D229 PolarHBondContact NE2-OD2 3.05Å
200L96.1Very high95.9Very high45 Ų4540.4 Ų40.424%0.23622%0.223CC..PPolyproline II helixtrans-66.4123.9174.5-71.6175.1000111.2N165 T173 D197N165-L200 HydrophobicContact CB-CD1 3.77Å; T173-L200 HydrophobicContact CG2-CB 4.03Å; T173-L200 HydrophobicContact CG2-CD1 3.88Å; D197-L200 HydrophobicContact CB-CD1 3.86Å; D197-L200 HydrophobicContact CB-CG 3.89Å
201T96.2Very high95.9Very high60 Ų6040.4 Ų40.437%0.36822%0.223SC..PPolyproline II helixtrans-94.3150.6177.851.20000112.2Q167 H199 G205 M206 T207Q167-T201 PolarHBondContact NE2-O 3.39Å; H199-T201 PolarHBondContact O-N 3.42Å; T201-G205 VanDerWaalsContact CG2-O 3.23Å; T201-G205 WeakPolarHBondContact CG2-O 3.26Å; T201-M206 CarbonylContact C-O 3.42Å; T201-M206 WeakPolarHBondContact CA-O 3.47Å; T201-T207 HydrophobicContact CG2-CG2 3.82Å
202A95.4Very high95.9Very high3 Ų339 Ų393%0.02521%0.214CC..PPolyproline II helixtrans-67.8167.9160.100000110.8T170 Y176 D204 G205 M206T170-A202 WeakPolarHBondContact O-CB 3.28Å; Y176-A202 HydrophobicContact CD2-CB 4.31Å; Y176-A202 HydrophobicContact CE2-CB 3.8Å; A202-D204 WeakPolarHBondContact CB-OD1 3.42Å; A202-D204 PolarHBondContact O-N 3.46Å; A202-G205 WeakPolarHBondContact O-CA 3.19Å; A202-G205 PolarHBondContact O-N 3.15Å; A202-M206 PolarHBondContact N-O 3.08Å
203Y94.1Very high96Very high117 Ų11734.6 Ų34.646%0.45919%0.187SC..THydrogen-bonded Turntrans-74.4-6.1-174.9-64.5-22.5000114A169 T170 R237A169-Y203 VanDerWaalsContact O-CD2 3.29Å; A169-Y203 WeakPolarHBondContact O-CD2 3.43Å; A169-Y203 WeakPolarHBondContact O-CE2 3.17Å; T170-Y203 VanDerWaalsContact C-CD2 3.46Å; T170-Y203 PolarHBondContact O-N 2.82Å; Y203-R237 PolarHBondContact O-NE 3.33Å; Y203-R237 PolarHBondContact O-NH1 3.09Å; Y203-R237 VanDerWaalsContact O-NH1 3.15Å; Y203-R237 PolarHBondContact O-NH2 2.99Å
204D88.1Confident96Very high69 Ų6931.4 Ų31.437%0.36917%0.169SC..THydrogen-bonded Turntrans-83.6-11.6163.743.637.1000112.5A202 M206 R237A202-D204 WeakPolarHBondContact CB-OD1 3.42Å; A202-D204 PolarHBondContact O-N 3.46Å; D204-M206 VanDerWaalsContact OD1-CB 3.29Å; D204-M206 WeakPolarHBondContact OD1-CB 3.45Å; D204-M206 WeakPolarHBondContact OD1-CG 3.47Å; D204-M206 PolarHBondContact OD1-N 2.94Å; D204-R237 WeakPolarHBondContact O-CB 3.48Å; D204-R237 WeakPolarHBondContact O-CG 3.46Å; D204-R237 PolarHBondContact O-N 3.33Å
205G93.4Very high96Very high11 Ų1130.3 Ų30.311%0.11317%0.167CC..SBendtrans96.5-7.2-174.900000114.3T201 A202 T207T201-G205 VanDerWaalsContact CG2-O 3.23Å; T201-G205 WeakPolarHBondContact CG2-O 3.26Å; A202-G205 WeakPolarHBondContact O-CA 3.19Å; A202-G205 PolarHBondContact O-N 3.15Å; G205-T207 PolarHBondContact O-N 2.97Å
206M96.3Very high96.1Very high14 Ų1428.6 Ų28.67%0.06915%0.15CC..  trans-66.2129.8-178.3-64.7-174.27800111.4Y176 T201 A202 D204 H210 H214 D236 F245Y176-M206 HydrophobicContact CE2-CB 3.98Å; Y176-M206 WeakPolarHBondContact CE2-O 3.2Å; T201-M206 CarbonylContact C-O 3.42Å; T201-M206 WeakPolarHBondContact CA-O 3.47Å; A202-M206 PolarHBondContact N-O 3.08Å; D204-M206 VanDerWaalsContact OD1-CB 3.29Å; D204-M206 WeakPolarHBondContact OD1-CB 3.45Å; D204-M206 WeakPolarHBondContact OD1-CG 3.47Å; D204-M206 PolarHBondContact OD1-N 2.94Å; M206-H210 HydrophobicContact CB-CB 3.94Å; M206-H210 HydrophobicContact CE-CB 3.69Å; M206-H210 HydrophobicContact CG-CB 4.27Å; M206-H214 HydrophobicContact CE-CB 4.23Å; M206-D236 HydrophobicContact CG-CB 4.29Å; M206-F245 HydrophobicContact CE-CD1 3.93Å; M206-F245 HydrophobicContact CE-CD2 4.23Å; M206-F245 HydrophobicContact CE-CE1 3.64Å; M206-F245 HydrophobicContact CE-CE2 3.96Å; M206-F245 HydrophobicContact CE-CG 4.21Å; M206-F245 HydrophobicContact CE-CZ 3.66Å; M206-F245 HydrophobicContact CG-CZ 4.32Å; M206-F245 HydrophobicContact SD-CE1 4.23Å; M206-F245 HydrophobicContact SD-CZ 4.04Å
207T97.1Very high96.1Very high5 Ų532.1 Ų32.13%0.03116%0.162CC..  trans-83.3170.8168.973.30000111.2T201 G205 L209 H210 A211 C234T201-T207 HydrophobicContact CG2-CG2 3.82Å; G205-T207 PolarHBondContact O-N 2.97Å; T207-L209 PolarHBondContact O-N 2.85Å; T207-L209 VanDerWaalsContact O-N 3.17Å; T207-L209 PolarHBondContact OG1-N 2.72Å; T207-H210 PolarHBondContact N-ND1 3.11Å; T207-H210 WeakPolarHBondContact O-CB 3.43Å; T207-H210 PolarHBondContact O-N 3.13Å; T207-H210 PolarHBondContact OG1-ND1 3.24Å; T207-A211 PolarHBondContact O-N 2.87Å; T207-A211 VanDerWaalsContact O-N 3.13Å; T207-C234 HydrophobicContact CG2-CB 4.19Å
208C96.9Very high96.2Very high3 Ų332.2 Ų32.22%0.0216%0.16CC..Hα-helixtrans-58.6-27173.4660000113.5L175 C179 A212L175-C208 HydrophobicContact CG-CB 4.37Å; C179-C208 HydrophobicContact CB-CB 3.99Å; C179-C208 WeakPolarHBondContact CB-O 3.15Å; C208-A212 WeakPolarHBondContact O-CB 3.25Å; C208-A212 PolarHBondContact O-N 2.85Å
209L98.1Very high96.3Very high0 Ų034.5 Ų34.50%018%0.18CC..Hα-helixtrans-69.5-40.3173179.663.9000112T207 A212 A213 V221 L224 V225 V230 L232 A242T207-L209 PolarHBondContact O-N 2.85Å; T207-L209 VanDerWaalsContact O-N 3.17Å; T207-L209 PolarHBondContact OG1-N 2.72Å; L209-A212 PolarHBondContact O-N 2.82Å; L209-A213 VanDerWaalsContact O-CB 3.32Å; L209-A213 WeakPolarHBondContact O-CB 3.3Å; L209-A213 PolarHBondContact O-N 3.39Å; L209-V221 HydrophobicContact CD1-CB 4.39Å; L209-V221 HydrophobicContact CD1-CG1 3.83Å; L209-V221 HydrophobicContact CD1-CG2 4.17Å; L209-L224 HydrophobicContact CB-CD1 4.37Å; L209-L224 HydrophobicContact CD1-CB 4.49Å; L209-L224 HydrophobicContact CD1-CD1 4.32Å; L209-V225 HydrophobicContact CD1-CG2 3.68Å; L209-V225 HydrophobicContact CD2-CG2 4.32Å; L209-V230 HydrophobicContact CB-CG2 3.92Å; L209-V230 HydrophobicContact CD2-CG1 4.13Å; L209-V230 HydrophobicContact CD2-CG2 4.19Å; L209-L232 HydrophobicContact CD2-CD2 3.99Å; L209-A242 HydrophobicContact CD2-CB 4.22Å; L209-A242 HydrophobicContact CG-CB 3.9Å
210H97.8Very high96.4Very high1 Ų130.6 Ų30.61%0.00516%0.161CC..Hα-helixtrans-62.7-44175.2-6675.7000110.6M206 T207 A213 H214 C234 A240 T241 A242 F245M206-H210 HydrophobicContact CB-CB 3.94Å; M206-H210 HydrophobicContact CE-CB 3.69Å; M206-H210 HydrophobicContact CG-CB 4.27Å; T207-H210 PolarHBondContact N-ND1 3.11Å; T207-H210 WeakPolarHBondContact O-CB 3.43Å; T207-H210 PolarHBondContact O-N 3.13Å; T207-H210 PolarHBondContact OG1-ND1 3.24Å; H210-A213 PolarHBondContact O-N 3.06Å; H210-H214 WeakPolarHBondContact O-CB 3.38Å; H210-H214 PolarHBondContact O-N 3.45Å; H210-C234 PolarHBondContact CE1-O 3.11Å; H210-C234 PolarHBondContact NE2-O 2.64Å; H210-A240 PolarHBondContact NE2-O 3.49Å; H210-T241 WeakPolarHBondContact NE2-CA 3.37Å; H210-A242 PolarHBondContact CD2-N 3.02Å; H210-A242 PolarHBondContact NE2-N 3.37Å; H210-A242 VanDerWaalsContact NE2-N 3.14Å; H210-F245 HydrophobicContact CB-CD2 4.39Å; H210-F245 AromaticContact CD2-CD2 3.79Å; H210-F245 AromaticContact CD2-CE2 3.82Å
211A97.4Very high96.5Very high1 Ų128.5 Ų28.51%0.00815%0.151CC..Hα-helixtrans-62.1-43.9176.700000113Y176 Q180 T207 M215Y176-A211 HydrophobicContact CD1-CB 4.35Å; Y176-A211 HydrophobicContact CD2-CB 4.2Å; Y176-A211 HydrophobicContact CE1-CB 3.93Å; Y176-A211 HydrophobicContact CE2-CB 3.76Å; Y176-A211 HydrophobicContact CG-CB 4.47Å; Q180-A211 HydrophobicContact CB-CB 4.11Å; T207-A211 PolarHBondContact O-N 2.87Å; T207-A211 VanDerWaalsContact O-N 3.13Å; A211-M215 WeakPolarHBondContact O-CB 3.36Å; A211-M215 WeakPolarHBondContact O-CG 3.36Å; A211-M215 PolarHBondContact O-N 3.38Å; A211-M215 VanDerWaalsContact O-N 3.13Å
212A98.3Very high96.6Very high0 Ų028.8 Ų28.80%015%0.15CC..Hα-helixtrans-65.6-39.7176.700000112.4C179 C208 L209 G216 R217 V220 V221 L224C179-A212 HydrophobicContact CB-CB 4.28Å; C208-A212 WeakPolarHBondContact O-CB 3.25Å; C208-A212 PolarHBondContact O-N 2.85Å; L209-A212 PolarHBondContact O-N 2.82Å; A212-G216 PolarHBondContact O-N 3.26Å; A212-R217 HydrophobicContact CB-CB 4.28Å; A212-R217 PolarHBondContact O-N 3.15Å; A212-V220 HydrophobicContact CB-CB 4.27Å; A212-V220 HydrophobicContact CB-CG1 3.83Å; A212-V221 HydrophobicContact CB-CG2 3.63Å; A212-L224 HydrophobicContact CB-CD1 4.41Å
213A97.9Very high96.7Very high0 Ų029.8 Ų29.80%015%0.153CC..Hα-helixtrans-65.2-50.8175.500000112L209 H210 M215 G216 A242 A246 H251 I254L209-A213 VanDerWaalsContact O-CB 3.32Å; L209-A213 WeakPolarHBondContact O-CB 3.3Å; L209-A213 PolarHBondContact O-N 3.39Å; H210-A213 PolarHBondContact O-N 3.06Å; A213-M215 PolarHBondContact O-N 3.37Å; A213-G216 PolarHBondContact O-N 2.91Å; A213-G216 VanDerWaalsContact O-N 3.08Å; A213-A242 HydrophobicContact CB-CB 4.04Å; A213-A242 WeakPolarHBondContact CB-O 3.46Å; A213-A246 HydrophobicContact CB-CB 4.45Å; A213-H251 PolarHBondContact O-CD2 3.17Å; A213-I254 HydrophobicContact CB-CG2 4.05Å
214H96.4Very high96.9Very high42 Ų4224.2 Ų24.219%0.19413%0.131CC..Hα-helixtrans-57.9-33.6179.1-171.7-158.3000112.7M206 H210 F245 R249 H251M206-H214 HydrophobicContact CE-CB 4.23Å; H210-H214 WeakPolarHBondContact O-CB 3.38Å; H210-H214 PolarHBondContact O-N 3.45Å; H214-F245 HydrophobicContact CB-CB 3.92Å; H214-F245 HydrophobicContact CB-CD1 3.93Å; H214-F245 HydrophobicContact CB-CG 4.18Å; H214-F245 AromaticContact CD2-CD1 3.7Å; H214-F245 AromaticContact CG-CD1 3.69Å; H214-R249 PolarHBondContact CD2-NE 3.28Å; H214-R249 VanDerWaalsContact CD2-NE 3.3Å; H214-R249 PolarHBondContact NE2-NE 3.08Å; H214-R249 PolarHBondContact NE2-NH2 3.17Å; H214-R249 WeakPolarHBondContact O-CD 3.24Å; H214-R249 PolarHBondContact O-NH1 2.9Å; H214-H251 PolarHBondContact O-NE2 3.3Å
215M96.4Very high97.3Very high54 Ų5421.7 Ų21.727%0.26612%0.118SC..THydrogen-bonded Turntrans-97.210.2179.6-60.9-58.9155.800114.5Q180 A211 A213 R217 R249Q180-M215 HydrophobicContact CG-CG 3.73Å; Q180-M215 WeakPolarHBondContact O-CB 3.45Å; Q180-M215 WeakPolarHBondContact O-CG 3.47Å; A211-M215 WeakPolarHBondContact O-CB 3.36Å; A211-M215 WeakPolarHBondContact O-CG 3.36Å; A211-M215 PolarHBondContact O-N 3.38Å; A211-M215 VanDerWaalsContact O-N 3.13Å; A213-M215 PolarHBondContact O-N 3.37Å; M215-R217 VanDerWaalsContact C-N 3.28Å; M215-R217 HydrophobicContact CB-CG 3.85Å; M215-R217 VanDerWaalsContact O-CD 3.24Å; M215-R217 WeakPolarHBondContact O-CD 3.34Å; M215-R217 PolarHBondContact O-N 3.18Å; M215-R217 PolarHBondContact O-NE 2.73Å; M215-R249 PolarHBondContact SD-NH1 2.63Å; M215-R249 VanDerWaalsContact SD-NH1 3.36Å
216G96.6Very high97.4Very high17 Ų1724.5 Ų24.518%0.17513%0.133CC..THydrogen-bonded Turntrans68.123.7174.700000114.6A212 A213 Q218 H251A212-G216 PolarHBondContact O-N 3.26Å; A213-G216 PolarHBondContact O-N 2.91Å; A213-G216 VanDerWaalsContact O-N 3.08Å; G216-Q218 PolarHBondContact O-N 3.34Å; G216-H251 WeakPolarHBondContact CA-CE1 3.3Å; G216-H251 VanDerWaalsContact CA-ND1 3.27Å; G216-H251 WeakPolarHBondContact CA-ND1 3.43Å; G216-H251 PolarHBondContact N-NE2 2.88Å
217R98Very high97.3Very high82 Ų8232 Ų3231%0.30916%0.162SC..  trans-82.664.4-171.1-51.2-52.1-168.2-166.77.3111.9C179 Q180 E181 A212 M215 A219 V220 V221C179-R217 WeakPolarHBondContact O-CG 3.4Å; Q180-R217 PolarHBondContact O-NE 3.15Å; Q180-R217 PolarHBondContact O-NH2 2.95Å; E181-R217 PolarHBondContact O-NE 3.05Å; E181-R217 IonicContact OE2-NH2 2.71Å; E181-R217 PolarHBondContact OE2-NH2 3.43Å; E181-R217 VanDerWaalsContact OE2-NH2 3.15Å; A212-R217 HydrophobicContact CB-CB 4.28Å; A212-R217 PolarHBondContact O-N 3.15Å; M215-R217 VanDerWaalsContact C-N 3.28Å; M215-R217 HydrophobicContact CB-CG 3.85Å; M215-R217 VanDerWaalsContact O-CD 3.24Å; M215-R217 WeakPolarHBondContact O-CD 3.34Å; M215-R217 PolarHBondContact O-N 3.18Å; M215-R217 PolarHBondContact O-NE 2.73Å; R217-A219 PolarHBondContact O-N 2.97Å; R217-V220 HydrophobicContact CB-CB 4.11Å; R217-V220 HydrophobicContact CB-CG2 4.29Å; R217-V220 WeakPolarHBondContact O-CA 3.16Å; R217-V220 WeakPolarHBondContact O-CB 3.32Å; R217-V220 PolarHBondContact O-N 3.27Å; R217-V221 PolarHBondContact O-N 2.86Å
218Q97.4Very high97.3Very high64 Ų6433 Ų3330%0.29917%0.168SC..Hα-helixtrans-34-63-177.3-53.5-61.4-22.400113.2G216 V220 V221 D222G216-Q218 PolarHBondContact O-N 3.34Å; Q218-V220 VanDerWaalsContact C-N 3.26Å; Q218-V220 PolarHBondContact O-N 2.91Å; Q218-V221 PolarHBondContact O-N 3.2Å; Q218-V221 VanDerWaalsContact O-N 3.08Å; Q218-D222 WeakPolarHBondContact O-CB 3.45Å; Q218-D222 PolarHBondContact O-N 3.44Å
219A98Very high97.1Very high53 Ų5338.6 Ų38.644%0.43820%0.198SC..Hα-helixtrans-64.7-25.3-174.600000114.1L184 R217 W223L184-A219 HydrophobicContact CD2-CB 4.06Å; R217-A219 PolarHBondContact O-N 2.97Å; A219-W223 WeakPolarHBondContact O-CB 3.47Å; A219-W223 PolarHBondContact O-N 2.92Å
220V98.4Very high96.9Very high1 Ų139 Ų391%0.00620%0.201CC..Hα-helixtrans-77.1-43.9172.81760000110.6C179 L184 A212 R217 Q218 W223 L224C179-V220 HydrophobicContact CB-CG1 3.94Å; L184-V220 HydrophobicContact CB-CG2 4.12Å; A212-V220 HydrophobicContact CB-CB 4.27Å; A212-V220 HydrophobicContact CB-CG1 3.83Å; R217-V220 HydrophobicContact CB-CB 4.11Å; R217-V220 HydrophobicContact CB-CG2 4.29Å; R217-V220 WeakPolarHBondContact O-CA 3.16Å; R217-V220 WeakPolarHBondContact O-CB 3.32Å; R217-V220 PolarHBondContact O-N 3.27Å; Q218-V220 VanDerWaalsContact C-N 3.26Å; Q218-V220 PolarHBondContact O-N 2.91Å; V220-W223 PolarHBondContact O-N 3.15Å; V220-L224 HydrophobicContact CG1-CD1 3.84Å; V220-L224 HydrophobicContact CG1-CG 4.14Å; V220-L224 WeakPolarHBondContact O-CB 3.34Å; V220-L224 VanDerWaalsContact O-CG 3.31Å; V220-L224 WeakPolarHBondContact O-CG 3.46Å; V220-L224 PolarHBondContact O-N 2.92Å
221V98.2Very high96.5Very high1 Ų140.1 Ų40.11%0.00621%0.212CC..Hα-helixtrans-63.1-47.5175.3175.70000110.6L209 A212 R217 Q218 W223 L224 V225 I254 L258L209-V221 HydrophobicContact CD1-CB 4.39Å; L209-V221 HydrophobicContact CD1-CG1 3.83Å; L209-V221 HydrophobicContact CD1-CG2 4.17Å; A212-V221 HydrophobicContact CB-CG2 3.63Å; R217-V221 PolarHBondContact O-N 2.86Å; Q218-V221 PolarHBondContact O-N 3.2Å; Q218-V221 VanDerWaalsContact O-N 3.08Å; V221-W223 PolarHBondContact O-N 2.97Å; V221-L224 PolarHBondContact O-N 3.1Å; V221-V225 HydrophobicContact CG1-CG2 3.83Å; V221-V225 VanDerWaalsContact O-CB 3.25Å; V221-V225 WeakPolarHBondContact O-CB 3.3Å; V221-V225 VanDerWaalsContact O-CG2 3.27Å; V221-V225 WeakPolarHBondContact O-CG2 3.48Å; V221-V225 PolarHBondContact O-N 3.28Å; V221-I254 HydrophobicContact CB-CG2 4.5Å; V221-I254 HydrophobicContact CG1-CG2 4.11Å; V221-I254 HydrophobicContact CG2-CD1 3.98Å; V221-I254 HydrophobicContact CG2-CG1 4.48Å; V221-I254 HydrophobicContact CG2-CG2 4.21Å; V221-L258 HydrophobicContact CG1-CD2 4.37Å
222D97.6Very high96.3Very high67 Ų6741.6 Ų41.636%0.35822%0.22SC..Hα-helixtrans-49-48.1173.2-98-48.6000111.5Q218 T226 K257Q218-D222 WeakPolarHBondContact O-CB 3.45Å; Q218-D222 PolarHBondContact O-N 3.44Å; D222-T226 WeakPolarHBondContact O-CB 3.45Å; D222-T226 PolarHBondContact O-N 2.85Å; D222-T226 VanDerWaalsContact O-N 3.16Å; D222-T226 PolarHBondContact O-OG1 3.31Å; D222-K257 VanDerWaalsContact OD1-CD 3.25Å; D222-K257 WeakPolarHBondContact OD1-CD 3.35Å; D222-K257 WeakPolarHBondContact OD1-CE 3.47Å; D222-K257 IonicContact OD1-NZ 3.56Å; D222-K257 PolarHBondContact OD1-NZ 3.36Å
223W98.1Very high96Very high24 Ų2445.1 Ų45.19%0.09124%0.244CC..Hα-helixtrans-72.2-48.4-177.8-177.479.6000112.8L184 Q188 V191 T192 A219 V220 V221 V225 T226 Y227 T228L184-W223 HydrophobicContact CD1-CB 3.39Å; L184-W223 HydrophobicContact CD1-CD2 3.99Å; L184-W223 HydrophobicContact CD1-CE3 4.32Å; L184-W223 HydrophobicContact CD1-CG 3.54Å; Q188-W223 HydrophobicContact CB-CZ2 4.45Å; Q188-W223 HydrophobicContact CG-CD2 3.81Å; Q188-W223 VanDerWaalsContact CG-CE2 3.49Å; Q188-W223 HydrophobicContact CG-CE3 4.35Å; Q188-W223 HydrophobicContact CG-CG 4.26Å; Q188-W223 HydrophobicContact CG-CH2 4.38Å; Q188-W223 HydrophobicContact CG-CZ2 3.82Å; Q188-W223 VanDerWaalsContact NE2-CD1 3.32Å; V191-W223 HydrophobicContact CB-CH2 3.86Å; V191-W223 HydrophobicContact CG1-CH2 4.07Å; V191-W223 HydrophobicContact CG2-CH2 4.17Å; V191-W223 HydrophobicContact CG2-CZ3 4.33Å; T192-W223 HydrophobicContact CG2-CZ2 4.16Å; A219-W223 WeakPolarHBondContact O-CB 3.47Å; A219-W223 PolarHBondContact O-N 2.92Å; V220-W223 PolarHBondContact O-N 3.15Å; V221-W223 PolarHBondContact O-N 2.97Å; W223-V225 PolarHBondContact O-N 3.39Å; W223-T226 PolarHBondContact O-N 3.13Å; W223-Y227 AromaticContact CD1-CD2 3.28Å; W223-Y227 AromaticContact CD1-CE2 3.89Å; W223-Y227 AromaticContact CD1-CG 3.98Å; W223-Y227 HydrophobicContact CG-CD2 4.01Å; W223-Y227 AromaticContact NE1-CD2 3.62Å; W223-Y227 AromaticContact NE1-CG 3.81Å; W223-Y227 WeakPolarHBondContact O-CB 3.41Å; W223-Y227 WeakPolarHBondContact O-CD2 3.42Å; W223-Y227 PolarHBondContact O-N 3.28Å; W223-T228 HydrophobicContact CE3-CG2 4.48Å; W223-T228 HydrophobicContact CH2-CG2 3.67Å; W223-T228 HydrophobicContact CZ2-CG2 4.35Å; W223-T228 HydrophobicContact CZ3-CG2 3.76Å
224L97.7Very high95.8Very high0 Ų047.3 Ų47.30%026%0.259CS..Hα-helixtrans-54.6-51.4177-75.7174000111L209 A212 V220 V221 T226 T228 V230L209-L224 HydrophobicContact CB-CD1 4.37Å; L209-L224 HydrophobicContact CD1-CB 4.49Å; L209-L224 HydrophobicContact CD1-CD1 4.32Å; A212-L224 HydrophobicContact CB-CD1 4.41Å; V220-L224 HydrophobicContact CG1-CD1 3.84Å; V220-L224 HydrophobicContact CG1-CG 4.14Å; V220-L224 WeakPolarHBondContact O-CB 3.34Å; V220-L224 VanDerWaalsContact O-CG 3.31Å; V220-L224 WeakPolarHBondContact O-CG 3.46Å; V220-L224 PolarHBondContact O-N 2.92Å; V221-L224 PolarHBondContact O-N 3.1Å; L224-T226 VanDerWaalsContact C-N 3.29Å; L224-T226 PolarHBondContact O-N 3.23Å; L224-T228 HydrophobicContact CD2-CG2 4.24Å; L224-T228 WeakPolarHBondContact O-CB 3.47Å; L224-T228 PolarHBondContact O-N 3.17Å; L224-T228 PolarHBondContact O-OG1 2.96Å; L224-V230 HydrophobicContact CB-CG1 4.22Å
225V96.9Very high95.7Very high15 Ų1549 Ų499%0.09127%0.267CS..Hα-helixtrans-71.8-20.8-175.3173.40000112.8L209 V221 W223 L232 L258 V261L209-V225 HydrophobicContact CD1-CG2 3.68Å; L209-V225 HydrophobicContact CD2-CG2 4.32Å; V221-V225 HydrophobicContact CG1-CG2 3.83Å; V221-V225 VanDerWaalsContact O-CB 3.25Å; V221-V225 WeakPolarHBondContact O-CB 3.3Å; V221-V225 VanDerWaalsContact O-CG2 3.27Å; V221-V225 WeakPolarHBondContact O-CG2 3.48Å; V221-V225 PolarHBondContact O-N 3.28Å; W223-V225 PolarHBondContact O-N 3.39Å; V225-L232 HydrophobicContact CB-CD2 4.27Å; V225-L232 HydrophobicContact CG1-CD1 4.39Å; V225-L232 HydrophobicContact CG1-CD2 3.88Å; V225-L232 HydrophobicContact CG2-CD2 3.7Å; V225-L258 HydrophobicContact CG2-CD2 4.1Å; V225-V261 HydrophobicContact CG1-CB 3.77Å; V225-V261 HydrophobicContact CG1-CG1 3.69Å; V225-V261 HydrophobicContact CG1-CG2 3.82Å
226T95.9Very high95.6Very high71 Ų7147.3 Ų47.344%0.43626%0.259SS..Hα-helixtrans-100.4-26.2-178.9-47.90000113.3D222 W223 L224 K257D222-T226 WeakPolarHBondContact O-CB 3.45Å; D222-T226 PolarHBondContact O-N 2.85Å; D222-T226 VanDerWaalsContact O-N 3.16Å; D222-T226 PolarHBondContact O-OG1 3.31Å; W223-T226 PolarHBondContact O-N 3.13Å; L224-T226 VanDerWaalsContact C-N 3.29Å; L224-T226 PolarHBondContact O-N 3.23Å; T226-K257 PolarHBondContact OG1-NZ 2.94Å
227Y95Very high95.4Very high170 Ų17055 Ų5567%0.66728%0.283SS*.Hα-helixtrans-127.72-170.6-58.9-81.7000115W223W223-Y227 AromaticContact CD1-CD2 3.28Å; W223-Y227 AromaticContact CD1-CE2 3.89Å; W223-Y227 AromaticContact CD1-CG 3.98Å; W223-Y227 HydrophobicContact CG-CD2 4.01Å; W223-Y227 AromaticContact NE1-CD2 3.62Å; W223-Y227 AromaticContact NE1-CG 3.81Å; W223-Y227 WeakPolarHBondContact O-CB 3.41Å; W223-Y227 WeakPolarHBondContact O-CD2 3.42Å; W223-Y227 PolarHBondContact O-N 3.28Å
228T95.3Very high94.9Very high27 Ų2756.3 Ų56.317%0.16629%0.292CS..SBendtrans-127.5165173.276.20000111V191 V198 W223 L224 V230V191-T228 HydrophobicContact CG1-CG2 4.29Å; V198-T228 HydrophobicContact CG1-CG2 4.19Å; W223-T228 HydrophobicContact CE3-CG2 4.48Å; W223-T228 HydrophobicContact CH2-CG2 3.67Å; W223-T228 HydrophobicContact CZ2-CG2 4.35Å; W223-T228 HydrophobicContact CZ3-CG2 3.76Å; L224-T228 HydrophobicContact CD2-CG2 4.24Å; L224-T228 WeakPolarHBondContact O-CB 3.47Å; L224-T228 PolarHBondContact O-N 3.17Å; L224-T228 PolarHBondContact O-OG1 2.96Å; T228-V230 PolarHBondContact O-N 2.88Å; T228-V230 WeakPolarHBondContact OG1-CG1 3.47Å
229D93Very high94.6Very high121 Ų12153.3 Ų53.365%0.64728%0.278SS*.  trans-86.418.3179.862.7-40.3000113.7H199 G231H199-D229 IonicContact CD2-OD2 2.8Å; H199-D229 PolarHBondContact CE1-O 3.36Å; H199-D229 IonicContact CE1-OD1 3.19Å; H199-D229 IonicContact CE1-OD2 2.72Å; H199-D229 PolarHBondContact CE1-OD2 3.35Å; H199-D229 VanDerWaalsContact NE2-CG 3.28Å; H199-D229 IonicContact NE2-OD1 2.62Å; H199-D229 PolarHBondContact NE2-OD1 2.83Å; H199-D229 IonicContact NE2-OD2 2.92Å; H199-D229 PolarHBondContact NE2-OD2 3.05Å; D229-G231 PolarHBondContact O-N 3.18Å
230V93.6Very high94.4Very high9 Ų951.4 Ų51.46%0.05526%0.262CS..  trans-59.9131.9-173.568.50000113.1V198 L209 L224 T228 L232V198-V230 HydrophobicContact CG2-CB 4.49Å; L209-V230 HydrophobicContact CB-CG2 3.92Å; L209-V230 HydrophobicContact CD2-CG1 4.13Å; L209-V230 HydrophobicContact CD2-CG2 4.19Å; L224-V230 HydrophobicContact CB-CG1 4.22Å; T228-V230 PolarHBondContact O-N 2.88Å; T228-V230 WeakPolarHBondContact OG1-CG1 3.47Å; V230-L232 PolarHBondContact O-N 3.45Å; V230-L232 VanDerWaalsContact O-N 3.15Å
231G91.3Very high94.4Very high23 Ų2351.3 Ų51.324%0.23726%0.262CS..  trans-68.9108.8-178.100000113.3D229 S233 C234D229-G231 PolarHBondContact O-N 3.18Å; G231-S233 PolarHBondContact O-N 2.61Å; G231-C234 WeakPolarHBondContact O-CB 3.45Å; G231-C234 PolarHBondContact O-N 3.25Å; G231-C234 VanDerWaalsContact O-N 3.16Å; G231-C234 PolarHBondContact O-SG 3.5Å
232L92.9Very high94.3Very high33 Ų3351.3 Ų51.317%0.17326%0.262CS..THydrogen-bonded Turntrans-66.3-24.6179.2-52.4-174000113.8L209 V225 V230 L258 V261 S263L209-L232 HydrophobicContact CD2-CD2 3.99Å; V225-L232 HydrophobicContact CB-CD2 4.27Å; V225-L232 HydrophobicContact CG1-CD1 4.39Å; V225-L232 HydrophobicContact CG1-CD2 3.88Å; V225-L232 HydrophobicContact CG2-CD2 3.7Å; V230-L232 PolarHBondContact O-N 3.45Å; V230-L232 VanDerWaalsContact O-N 3.15Å; L232-L258 HydrophobicContact CD2-CD2 4.44Å; L232-V261 HydrophobicContact CD1-CB 4.31Å; L232-V261 HydrophobicContact CD1-CG1 4Å; L232-S263 PolarHBondContact O-OG 3.06Å
233S92Very high94.3Very high74 Ų7448.1 Ų48.152%0.51725%0.245SC..THydrogen-bonded Turntrans-104.618.7176.566.90000112.9G231G231-S233 PolarHBondContact O-N 2.61Å
234C93.3Very high94.2Very high45 Ų4547.2 Ų47.230%0.30424%0.242SC..  trans-62.8145.3165.9-73.20000109.5T207 H210 G231T207-C234 HydrophobicContact CG2-CB 4.19Å; H210-C234 PolarHBondContact CE1-O 3.11Å; H210-C234 PolarHBondContact NE2-O 2.64Å; G231-C234 WeakPolarHBondContact O-CB 3.45Å; G231-C234 PolarHBondContact O-N 3.25Å; G231-C234 VanDerWaalsContact O-N 3.16Å; G231-C234 PolarHBondContact O-SG 3.5Å
235Q95Very high94.1Very high78 Ų7848.7 Ų48.736%0.36425%0.248SC..BIsolated β-bridgetrans-122.4148.4178-67177.6-81.100108.6G239 A240 T241 R267Q235-G239 WeakPolarHBondContact CG-O 3.33Å; Q235-G239 PolarHBondContact NE2-O 3.24Å; Q235-A240 WeakPolarHBondContact CA-O 3.28Å; Q235-T241 HydrophobicContact CG-CG2 3.74Å; Q235-R267 PolarHBondContact NE2-O 3.05Å
236D92.9Very high94.1Very high18 Ų1848 Ų4810%0.09624%0.244CC..  trans-81.7-165.1169.571.29.6000112.2M206 E238 G239 A240 F245M206-D236 HydrophobicContact CG-CB 4.29Å; D236-E238 VanDerWaalsContact C-N 3.27Å; D236-E238 PolarHBondContact O-N 3.32Å; D236-E238 WeakPolarHBondContact OD1-CA 3.31Å; D236-E238 PolarHBondContact OD1-N 3.01Å; D236-G239 PolarHBondContact O-N 3.23Å; D236-G239 PolarHBondContact OD1-N 2.94Å; D236-G239 VanDerWaalsContact OD1-N 3.12Å; D236-A240 PolarHBondContact N-O 2.78Å; D236-A240 PolarHBondContact OD1-N 3.41Å; D236-F245 WeakPolarHBondContact OD2-CE2 3.38Å; D236-F245 VanDerWaalsContact OD2-CZ 3.22Å; D236-F245 WeakPolarHBondContact OD2-CZ 3.45Å
237R92.9Very high94.2Very high179 Ų17944.6 Ų44.668%0.67522%0.223SC*.THydrogen-bonded Turntrans-70.8-15.5179-75.4179.3176.4-169.74.1115.2Y203 D204 F269Y203-R237 PolarHBondContact O-NE 3.33Å; Y203-R237 PolarHBondContact O-NH1 3.09Å; Y203-R237 VanDerWaalsContact O-NH1 3.15Å; Y203-R237 PolarHBondContact O-NH2 2.99Å; D204-R237 WeakPolarHBondContact O-CB 3.48Å; D204-R237 WeakPolarHBondContact O-CG 3.46Å; D204-R237 PolarHBondContact O-N 3.33Å; R237-F269 WeakPolarHBondContact O-CD2 3.26Å; R237-F269 WeakPolarHBondContact O-CE2 3.43Å
238E88.2Confident94.2Very high110 Ų11037.6 Ų37.651%0.51420%0.199SC..THydrogen-bonded Turntrans-98.4-1.1175.1-61.8-165.6-145.900111.8D236 A240 F269 W270D236-E238 VanDerWaalsContact C-N 3.27Å; D236-E238 PolarHBondContact O-N 3.32Å; D236-E238 WeakPolarHBondContact OD1-CA 3.31Å; D236-E238 PolarHBondContact OD1-N 3.01Å; E238-A240 VanDerWaalsContact C-N 3.31Å; E238-F269 VanDerWaalsContact O-CB 3.31Å; E238-F269 WeakPolarHBondContact O-CB 3.45Å; E238-F269 WeakPolarHBondContact O-CG 3.37Å; E238-F269 PolarHBondContact O-N 2.99Å; E238-W270 PolarHBondContact OE2-NE1 3.46Å
239G90.7Very high94Very high0 Ų041.5 Ų41.50%021%0.211CC..SBendtrans870.5-17600000113Q235 D236Q235-G239 WeakPolarHBondContact CG-O 3.33Å; Q235-G239 PolarHBondContact NE2-O 3.24Å; D236-G239 PolarHBondContact O-N 3.23Å; D236-G239 PolarHBondContact OD1-N 2.94Å; D236-G239 VanDerWaalsContact OD1-N 3.12Å
240A94.4Very high94Very high13 Ų1336.4 Ų36.411%0.10719%0.187CC..  trans-73.9131-177.600000110.4H210 Q235 D236 E238 H244 F245H210-A240 PolarHBondContact NE2-O 3.49Å; Q235-A240 WeakPolarHBondContact CA-O 3.28Å; D236-A240 PolarHBondContact N-O 2.78Å; D236-A240 PolarHBondContact OD1-N 3.41Å; E238-A240 VanDerWaalsContact C-N 3.31Å; A240-H244 HydrophobicContact CB-CB 4.06Å; A240-F245 HydrophobicContact CB-CD2 4.42Å; A240-F245 HydrophobicContact CB-CE2 3.74Å; A240-F245 HydrophobicContact CB-CZ 4.24Å
241T97.1Very high94.2Very high0 Ų037.9 Ų37.90%019%0.193CC..BIsolated β-bridgetrans-91.8165.6172.770.20000110.8H210 Q235 M243 H244 F245 I266H210-T241 WeakPolarHBondContact NE2-CA 3.37Å; Q235-T241 HydrophobicContact CG-CG2 3.74Å; T241-M243 PolarHBondContact O-N 3.02Å; T241-M243 WeakPolarHBondContact OG1-CB 3.43Å; T241-M243 PolarHBondContact OG1-N 2.88Å; T241-H244 PolarHBondContact N-ND1 3.13Å; T241-H244 WeakPolarHBondContact O-CB 3.42Å; T241-H244 PolarHBondContact O-N 3.45Å; T241-H244 PolarHBondContact OG1-ND1 2.89Å; T241-F245 WeakPolarHBondContact O-CD2 3.45Å; T241-F245 PolarHBondContact O-N 3.29Å; T241-I266 HydrophobicContact CG2-CB 4.28Å; T241-I266 HydrophobicContact CG2-CD1 4.44Å; T241-I266 HydrophobicContact CG2-CG2 4.48Å
242A96.7Very high94.3Very high1 Ų140.6 Ų40.61%0.00820%0.199CC..Hα-helixtrans-53.6-20.8172.100000114.2L209 H210 A213 A246 L258L209-A242 HydrophobicContact CD2-CB 4.22Å; L209-A242 HydrophobicContact CG-CB 3.9Å; H210-A242 PolarHBondContact CD2-N 3.02Å; H210-A242 PolarHBondContact NE2-N 3.37Å; H210-A242 VanDerWaalsContact NE2-N 3.14Å; A213-A242 HydrophobicContact CB-CB 4.04Å; A213-A242 WeakPolarHBondContact CB-O 3.46Å; A242-A246 WeakPolarHBondContact O-CB 3.29Å; A242-A246 PolarHBondContact O-N 2.65Å; A242-A246 VanDerWaalsContact O-N 3.17Å; A242-L258 HydrophobicContact CB-CD1 4.3Å
243M96.6Very high94.5Very high0 Ų041.7 Ų41.70%021%0.209CC..Hα-helixtrans-72.4-36.6173.9-163.3-177.8-67.600112.8T241 A246 A247 L255 L258 L259 S263 V265 P274 L290T241-M243 PolarHBondContact O-N 3.02Å; T241-M243 WeakPolarHBondContact OG1-CB 3.43Å; T241-M243 PolarHBondContact OG1-N 2.88Å; M243-A246 PolarHBondContact O-N 3.36Å; M243-A247 VanDerWaalsContact O-CB 3.28Å; M243-A247 WeakPolarHBondContact O-CB 3.38Å; M243-A247 PolarHBondContact O-N 2.85Å; M243-L255 HydrophobicContact CG-CD1 3.37Å; M243-L255 HydrophobicContact SD-CD1 4.04Å; M243-L258 HydrophobicContact CB-CD1 4.35Å; M243-L258 HydrophobicContact CE-CB 4.42Å; M243-L259 HydrophobicContact CE-CD2 3.56Å; M243-L259 HydrophobicContact CE-CG 3.93Å; M243-L259 HydrophobicContact SD-CD2 3.99Å; M243-L259 HydrophobicContact SD-CG 4.41Å; M243-S263 WeakPolarHBondContact CE-O 3.33Å; M243-V265 HydrophobicContact SD-CG2 4.17Å; M243-P274 HydrophobicContact CB-CB 4.49Å; M243-P274 HydrophobicContact CB-CG 3.92Å; M243-P274 HydrophobicContact CG-CB 3.97Å; M243-P274 HydrophobicContact CG-CG 3.8Å; M243-P274 HydrophobicContact SD-CB 4.29Å; M243-P274 HydrophobicContact SD-CG 3.94Å; M243-L290 HydrophobicContact SD-CD2 3.91Å
244H96.6Very high94.8Very high4 Ų438.2 Ų38.22%0.01919%0.185CC..Hα-helixtrans-61.9-50.4175.4-64.671.5000109.7A240 T241 A246 A247 S248 I266 D277A240-H244 HydrophobicContact CB-CB 4.06Å; T241-H244 PolarHBondContact N-ND1 3.13Å; T241-H244 WeakPolarHBondContact O-CB 3.42Å; T241-H244 PolarHBondContact O-N 3.45Å; T241-H244 PolarHBondContact OG1-ND1 2.89Å; H244-A246 VanDerWaalsContact C-N 3.29Å; H244-A246 PolarHBondContact O-N 3.46Å; H244-A247 PolarHBondContact O-N 3.34Å; H244-A247 VanDerWaalsContact O-N 3.09Å; H244-S248 PolarHBondContact O-N 2.94Å; H244-S248 PolarHBondContact O-OG 3.22Å; H244-I266 PolarHBondContact CE1-O 3.48Å; H244-I266 PolarHBondContact NE2-O 2.95Å; H244-D277 WeakPolarHBondContact CA-OD2 3.11Å; H244-D277 WeakPolarHBondContact CB-OD2 3.43Å; H244-D277 IonicContact CD2-OD2 3.81Å; H244-D277 PolarHBondContact CD2-OD2 3.26Å; H244-D277 IonicContact CG-OD2 3.86Å
245F96.4Very high94.9Very high31 Ų3136.1 Ų36.114%0.13617%0.17CC..Hα-helixtrans-63.9-25.5176.7-71.1-76.1000115.2M206 H210 H214 D236 A240 T241M206-F245 HydrophobicContact CE-CD1 3.93Å; M206-F245 HydrophobicContact CE-CD2 4.23Å; M206-F245 HydrophobicContact CE-CE1 3.64Å; M206-F245 HydrophobicContact CE-CE2 3.96Å; M206-F245 HydrophobicContact CE-CG 4.21Å; M206-F245 HydrophobicContact CE-CZ 3.66Å; M206-F245 HydrophobicContact CG-CZ 4.32Å; M206-F245 HydrophobicContact SD-CE1 4.23Å; M206-F245 HydrophobicContact SD-CZ 4.04Å; H210-F245 HydrophobicContact CB-CD2 4.39Å; H210-F245 AromaticContact CD2-CD2 3.79Å; H210-F245 AromaticContact CD2-CE2 3.82Å; H214-F245 HydrophobicContact CB-CB 3.92Å; H214-F245 HydrophobicContact CB-CD1 3.93Å; H214-F245 HydrophobicContact CB-CG 4.18Å; H214-F245 AromaticContact CD2-CD1 3.7Å; H214-F245 AromaticContact CG-CD1 3.69Å; D236-F245 WeakPolarHBondContact OD2-CE2 3.38Å; D236-F245 VanDerWaalsContact OD2-CZ 3.22Å; D236-F245 WeakPolarHBondContact OD2-CZ 3.45Å; A240-F245 HydrophobicContact CB-CD2 4.42Å; A240-F245 HydrophobicContact CB-CE2 3.74Å; A240-F245 HydrophobicContact CB-CZ 4.24Å; T241-F245 WeakPolarHBondContact O-CD2 3.45Å; T241-F245 PolarHBondContact O-N 3.29Å
246A97.4Very high94.9Very high0 Ų036.1 Ų36.10%017%0.17CC..Hα-helixtrans-77.8-39.7171.700000111.4A213 A242 M243 H244 G250 H251 I254 L255A213-A246 HydrophobicContact CB-CB 4.45Å; A242-A246 WeakPolarHBondContact O-CB 3.29Å; A242-A246 PolarHBondContact O-N 2.65Å; A242-A246 VanDerWaalsContact O-N 3.17Å; M243-A246 PolarHBondContact O-N 3.36Å; H244-A246 VanDerWaalsContact C-N 3.29Å; H244-A246 PolarHBondContact O-N 3.46Å; A246-G250 PolarHBondContact O-N 3.15Å; A246-H251 HydrophobicContact CB-CB 4.33Å; A246-H251 PolarHBondContact O-N 3.32Å; A246-I254 HydrophobicContact CB-CB 4.07Å; A246-I254 HydrophobicContact CB-CG2 3.7Å; A246-L255 HydrophobicContact CB-CB 4.47Å
247A96.9Very high95.1Very high0 Ų037.3 Ų37.30%018%0.175CC..Hα-helixtrans-73.4-41.7-176.300000113M243 H244 R249 G250 L255 P274 D277 A278 L290M243-A247 VanDerWaalsContact O-CB 3.28Å; M243-A247 WeakPolarHBondContact O-CB 3.38Å; M243-A247 PolarHBondContact O-N 2.85Å; H244-A247 PolarHBondContact O-N 3.34Å; H244-A247 VanDerWaalsContact O-N 3.09Å; A247-R249 PolarHBondContact O-N 2.92Å; A247-R249 VanDerWaalsContact O-N 3.11Å; A247-G250 PolarHBondContact O-N 2.9Å; A247-L255 HydrophobicContact CB-CD2 4.45Å; A247-P274 HydrophobicContact CB-CB 3.88Å; A247-P274 WeakPolarHBondContact CB-O 3.32Å; A247-D277 HydrophobicContact CB-CB 4.31Å; A247-A278 HydrophobicContact CB-CB 4.2Å; A247-L290 HydrophobicContact CB-CD1 4.17Å
248S94.6Very high95.3Very high24 Ų2428.8 Ų28.817%0.16814%0.143CC..THydrogen-bonded Turntrans-64.8-9.5178.759.70000115.3H244 N281H244-S248 PolarHBondContact O-N 2.94Å; H244-S248 PolarHBondContact O-OG 3.22Å; S248-N281 WeakPolarHBondContact O-CB 3.43Å; S248-N281 VanDerWaalsContact O-CG 3.23Å
249R90.8Very high95.6Very high109 Ų10924.5 Ų24.541%0.41112%0.123SC..THydrogen-bonded Turntrans-132.620-178.4-71.8-174.6168.3-165.8-6.8113.9H214 M215 A247 H251 E283H214-R249 PolarHBondContact CD2-NE 3.28Å; H214-R249 VanDerWaalsContact CD2-NE 3.3Å; H214-R249 PolarHBondContact NE2-NE 3.08Å; H214-R249 PolarHBondContact NE2-NH2 3.17Å; H214-R249 WeakPolarHBondContact O-CD 3.24Å; H214-R249 PolarHBondContact O-NH1 2.9Å; M215-R249 PolarHBondContact SD-NH1 2.63Å; M215-R249 VanDerWaalsContact SD-NH1 3.36Å; A247-R249 PolarHBondContact O-N 2.92Å; A247-R249 VanDerWaalsContact O-N 3.11Å; R249-H251 WeakPolarHBondContact CB-NE2 3.32Å; R249-H251 PolarHBondContact O-N 3.16Å; R249-H251 VanDerWaalsContact O-N 3.14Å; R249-E283 VanDerWaalsContact C-OE1 3.3Å
250G93.6Very high95.8Very high13 Ų1331.5 Ų31.513%0.13416%0.155CC..THydrogen-bonded Turntrans67.618.617200000115.1A246 A247 H252 E283A246-G250 PolarHBondContact O-N 3.15Å; A247-G250 PolarHBondContact O-N 2.9Å; G250-H252 PolarHBondContact O-CD2 2.84Å; G250-H252 VanDerWaalsContact O-CD2 3.29Å; G250-H252 PolarHBondContact O-N 3.32Å; G250-E283 WeakPolarHBondContact CA-OE1 3.44Å; G250-E283 WeakPolarHBondContact CA-OE2 3.15Å; G250-E283 PolarHBondContact N-OE1 3.44Å; G250-E283 VanDerWaalsContact N-OE1 3.15Å
251H97.4Very high95.7Very high40 Ų4034.1 Ų34.119%0.18517%0.17CC..  trans-77.957.8-178.1-62.5-51.4000111.2A213 H214 G216 A246 R249 C253 I254 L255A213-H251 PolarHBondContact O-CD2 3.17Å; H214-H251 PolarHBondContact O-NE2 3.3Å; G216-H251 WeakPolarHBondContact CA-CE1 3.3Å; G216-H251 VanDerWaalsContact CA-ND1 3.27Å; G216-H251 WeakPolarHBondContact CA-ND1 3.43Å; G216-H251 PolarHBondContact N-NE2 2.88Å; A246-H251 HydrophobicContact CB-CB 4.33Å; A246-H251 PolarHBondContact O-N 3.32Å; R249-H251 WeakPolarHBondContact CB-NE2 3.32Å; R249-H251 PolarHBondContact O-N 3.16Å; R249-H251 VanDerWaalsContact O-N 3.14Å; H251-C253 VanDerWaalsContact C-N 3.28Å; H251-C253 PolarHBondContact O-N 3.05Å; H251-C253 VanDerWaalsContact O-N 3.15Å; H251-I254 HydrophobicContact CB-CB 4.13Å; H251-I254 HydrophobicContact CB-CD1 4.07Å; H251-I254 HydrophobicContact CB-CG1 4.15Å; H251-I254 WeakPolarHBondContact O-CA 3.34Å; H251-I254 WeakPolarHBondContact O-CB 3.35Å; H251-I254 PolarHBondContact O-N 2.84Å; H251-L255 PolarHBondContact O-N 3.39Å
252H94.9Very high95.4Very high81 Ų8136.7 Ų36.738%0.37520%0.197SC..Hα-helixtrans-55.7-35.6-169.360.884.9000113.7G250 I254 L255 E256 I289G250-H252 PolarHBondContact O-CD2 2.84Å; G250-H252 VanDerWaalsContact O-CD2 3.29Å; G250-H252 PolarHBondContact O-N 3.32Å; H252-I254 PolarHBondContact O-N 3.33Å; H252-L255 WeakPolarHBondContact O-CB 3.2Å; H252-L255 PolarHBondContact O-N 3.17Å; H252-E256 WeakPolarHBondContact O-CB 3.09Å; H252-E256 WeakPolarHBondContact O-CG 3.4Å; H252-E256 PolarHBondContact O-N 3.44Å; H252-I289 HydrophobicContact CB-CD1 3.62Å
253C96.3Very high95.2Very high56 Ų5637.1 Ų37.138%0.37820%0.199SC..Hα-helixtrans-67.9-31.2173.9-600000113.6H251 K257H251-C253 VanDerWaalsContact C-N 3.28Å; H251-C253 PolarHBondContact O-N 3.05Å; H251-C253 VanDerWaalsContact O-N 3.15Å; C253-K257 VanDerWaalsContact O-CB 3.3Å; C253-K257 WeakPolarHBondContact O-CB 3.39Å; C253-K257 PolarHBondContact O-N 3Å
254I97.7Very high95Very high1 Ų144.2 Ų44.21%0.00523%0.23CC..Hα-helixtrans-70.9-44.3172.8-63.2-172.6000109.5A213 V221 A246 H251 H252 K257 L258A213-I254 HydrophobicContact CB-CG2 4.05Å; V221-I254 HydrophobicContact CB-CG2 4.5Å; V221-I254 HydrophobicContact CG1-CG2 4.11Å; V221-I254 HydrophobicContact CG2-CD1 3.98Å; V221-I254 HydrophobicContact CG2-CG1 4.48Å; V221-I254 HydrophobicContact CG2-CG2 4.21Å; A246-I254 HydrophobicContact CB-CB 4.07Å; A246-I254 HydrophobicContact CB-CG2 3.7Å; H251-I254 HydrophobicContact CB-CB 4.13Å; H251-I254 HydrophobicContact CB-CD1 4.07Å; H251-I254 HydrophobicContact CB-CG1 4.15Å; H251-I254 WeakPolarHBondContact O-CA 3.34Å; H251-I254 WeakPolarHBondContact O-CB 3.35Å; H251-I254 PolarHBondContact O-N 2.84Å; H252-I254 PolarHBondContact O-N 3.33Å; I254-K257 PolarHBondContact O-N 2.99Å; I254-L258 HydrophobicContact CG2-CD1 3.86Å; I254-L258 HydrophobicContact CG2-CG 4.22Å; I254-L258 WeakPolarHBondContact O-CB 3.39Å; I254-L258 VanDerWaalsContact O-CG 3.32Å; I254-L258 WeakPolarHBondContact O-CG 3.4Å; I254-L258 PolarHBondContact O-N 3.29Å
255L96Very high94.8Very high0 Ų046.3 Ų46.30%024%0.243CC..Hα-helixtrans-58.7-49.6177.6-178.258000111M243 A246 A247 H251 H252 L258 L259 I289 L290M243-L255 HydrophobicContact CG-CD1 3.37Å; M243-L255 HydrophobicContact SD-CD1 4.04Å; A246-L255 HydrophobicContact CB-CB 4.47Å; A247-L255 HydrophobicContact CB-CD2 4.45Å; H251-L255 PolarHBondContact O-N 3.39Å; H252-L255 WeakPolarHBondContact O-CB 3.2Å; H252-L255 PolarHBondContact O-N 3.17Å; L255-L258 PolarHBondContact O-N 3.36Å; L255-L259 HydrophobicContact CD1-CD1 4.09Å; L255-L259 HydrophobicContact CG-CD1 4.12Å; L255-L259 WeakPolarHBondContact O-CB 3.25Å; L255-L259 WeakPolarHBondContact O-CD1 3.37Å; L255-L259 VanDerWaalsContact O-CG 3.25Å; L255-L259 WeakPolarHBondContact O-CG 3.49Å; L255-L259 PolarHBondContact O-N 3.39Å; L255-I289 HydrophobicContact CD2-CB 4.41Å; L255-I289 HydrophobicContact CD2-CG2 4.19Å; L255-I289 HydrophobicContact CG-CG2 4Å; L255-L290 HydrophobicContact CD1-CD1 4.23Å; L255-L290 HydrophobicContact CD1-CD2 4.02Å; L255-L290 HydrophobicContact CD1-CG 4Å; L255-L290 HydrophobicContact CD2-CD1 3.98Å; L255-L290 HydrophobicContact CD2-CG 4.03Å; L255-L290 HydrophobicContact CG-CG 4.38Å
256E95.7Very high94.6Very high78 Ų7846.9 Ų46.936%0.36425%0.247SC..Hα-helixtrans-56.7-48.7170.5-76.7-179.6179.200112H252 L258 L259 H260 I289H252-E256 WeakPolarHBondContact O-CB 3.09Å; H252-E256 WeakPolarHBondContact O-CG 3.4Å; H252-E256 PolarHBondContact O-N 3.44Å; E256-L258 PolarHBondContact O-N 3.09Å; E256-L259 PolarHBondContact O-N 3.31Å; E256-H260 WeakPolarHBondContact O-CB 3.36Å; E256-H260 PolarHBondContact O-N 3.42Å; E256-H260 PolarHBondContact O-ND1 3.13Å; E256-I289 HydrophobicContact CG-CD1 3.96Å; E256-I289 HydrophobicContact CG-CG1 4.23Å; E256-I289 HydrophobicContact CG-CG2 3.78Å
257K96.3Very high94.4Very high44 Ų4452.2 Ų52.219%0.19127%0.267CS..Hα-helixtrans-60.5-43.9-179176.162.2-177.4-137.80112.2D222 T226 C253 I254 H260 V261D222-K257 VanDerWaalsContact OD1-CD 3.25Å; D222-K257 WeakPolarHBondContact OD1-CD 3.35Å; D222-K257 WeakPolarHBondContact OD1-CE 3.47Å; D222-K257 IonicContact OD1-NZ 3.56Å; D222-K257 PolarHBondContact OD1-NZ 3.36Å; T226-K257 PolarHBondContact OG1-NZ 2.94Å; C253-K257 VanDerWaalsContact O-CB 3.3Å; C253-K257 WeakPolarHBondContact O-CB 3.39Å; C253-K257 PolarHBondContact O-N 3Å; I254-K257 PolarHBondContact O-N 2.99Å; K257-H260 PolarHBondContact O-N 2.08Å; K257-V261 HydrophobicContact CD-CG2 4.2Å; K257-V261 WeakPolarHBondContact O-CG2 3.5Å; K257-V261 PolarHBondContact O-N 2.87Å; K257-V261 VanDerWaalsContact O-N 3.16Å
258L96.4Very high94.2Very high0 Ų053.1 Ų53.10%027%0.272CS..Hα-helixtrans-63.7-43.2177.9-71.8173.2000111.3V221 V225 L232 A242 M243 I254 L255 E256 V261 G262 S263V221-L258 HydrophobicContact CG1-CD2 4.37Å; V225-L258 HydrophobicContact CG2-CD2 4.1Å; L232-L258 HydrophobicContact CD2-CD2 4.44Å; A242-L258 HydrophobicContact CB-CD1 4.3Å; M243-L258 HydrophobicContact CB-CD1 4.35Å; M243-L258 HydrophobicContact CE-CB 4.42Å; I254-L258 HydrophobicContact CG2-CD1 3.86Å; I254-L258 HydrophobicContact CG2-CG 4.22Å; I254-L258 WeakPolarHBondContact O-CB 3.39Å; I254-L258 VanDerWaalsContact O-CG 3.32Å; I254-L258 WeakPolarHBondContact O-CG 3.4Å; I254-L258 PolarHBondContact O-N 3.29Å; L255-L258 PolarHBondContact O-N 3.36Å; E256-L258 PolarHBondContact O-N 3.09Å; L258-V261 PolarHBondContact O-N 3.03Å; L258-G262 PolarHBondContact O-N 2.9Å; L258-S263 WeakPolarHBondContact O-CB 3.37Å; L258-S263 PolarHBondContact O-N 2.96Å
259L95Very high94Very high19 Ų1958.2 Ų58.210%0.09929%0.291CS..Hα-helixtrans-65.4-44.3176.6-70162.9000111.8M243 L255 E256 V261 G262 V265 I289 N293M243-L259 HydrophobicContact CE-CD2 3.56Å; M243-L259 HydrophobicContact CE-CG 3.93Å; M243-L259 HydrophobicContact SD-CD2 3.99Å; M243-L259 HydrophobicContact SD-CG 4.41Å; L255-L259 HydrophobicContact CD1-CD1 4.09Å; L255-L259 HydrophobicContact CG-CD1 4.12Å; L255-L259 WeakPolarHBondContact O-CB 3.25Å; L255-L259 WeakPolarHBondContact O-CD1 3.37Å; L255-L259 VanDerWaalsContact O-CG 3.25Å; L255-L259 WeakPolarHBondContact O-CG 3.49Å; L255-L259 PolarHBondContact O-N 3.39Å; E256-L259 PolarHBondContact O-N 3.31Å; L259-V261 VanDerWaalsContact C-N 3.29Å; L259-V261 PolarHBondContact O-N 2.98Å; L259-G262 WeakPolarHBondContact O-CA 3.49Å; L259-G262 PolarHBondContact O-N 3.27Å; L259-V265 HydrophobicContact CD2-CG2 4.38Å; L259-I289 HydrophobicContact CD1-CG2 3.81Å; L259-N293 HydrophobicContact CD1-CB 3.94Å; L259-N293 HydrophobicContact CD2-CB 4.01Å; L259-N293 HydrophobicContact CG-CB 4.4Å
260H94.4Very high93.8Very high147 Ų14757.6 Ų57.668%0.68129%0.289SS*.Hα-helixtrans-63.1-29.2178.1-79.895.8000113.9E256 K257 G262E256-H260 WeakPolarHBondContact O-CB 3.36Å; E256-H260 PolarHBondContact O-N 3.42Å; E256-H260 PolarHBondContact O-ND1 3.13Å; K257-H260 PolarHBondContact O-N 2.08Å; H260-G262 VanDerWaalsContact C-N 3.27Å
261V93.8Very high93.5Very high69 Ų6957.3 Ų57.342%0.41829%0.287SS..THydrogen-bonded Turntrans-90.38.5174.5-170.30000111.8V225 L232 K257 L258 L259V225-V261 HydrophobicContact CG1-CB 3.77Å; V225-V261 HydrophobicContact CG1-CG1 3.69Å; V225-V261 HydrophobicContact CG1-CG2 3.82Å; L232-V261 HydrophobicContact CD1-CB 4.31Å; L232-V261 HydrophobicContact CD1-CG1 4Å; K257-V261 HydrophobicContact CD-CG2 4.2Å; K257-V261 WeakPolarHBondContact O-CG2 3.5Å; K257-V261 PolarHBondContact O-N 2.87Å; K257-V261 VanDerWaalsContact O-N 3.16Å; L258-V261 PolarHBondContact O-N 3.03Å; L259-V261 VanDerWaalsContact C-N 3.29Å; L259-V261 PolarHBondContact O-N 2.98Å
262G90.3Very high93.3Very high54 Ų5455.5 Ų55.556%0.55728%0.278SS*.THydrogen-bonded Turntrans8420.4170.900000114.9L258 L259 H260 K264L258-G262 PolarHBondContact O-N 2.9Å; L259-G262 WeakPolarHBondContact O-CA 3.49Å; L259-G262 PolarHBondContact O-N 3.27Å; H260-G262 VanDerWaalsContact C-N 3.27Å; G262-K264 PolarHBondContact O-N 3.39Å
263S92.8Very high93.4Very high9 Ų951.8 Ų51.86%0.06326%0.261CS..PPolyproline II helixtrans-62.8135.3165.8-168.10000109.7L232 M243 L258L232-S263 PolarHBondContact O-OG 3.06Å; M243-S263 WeakPolarHBondContact CE-O 3.33Å; L258-S263 WeakPolarHBondContact O-CB 3.37Å; L258-S263 PolarHBondContact O-N 2.96Å
264K91.4Very high93.4Very high150 Ų15049.1 Ų49.165%0.65224%0.243SC*.PPolyproline II helixtrans-88.8145.5-176.5-64.6-179.2-178.5178.70110.5G262 I266G262-K264 PolarHBondContact O-N 3.39Å; K264-I266 HydrophobicContact CB-CD1 4.24Å; K264-I266 HydrophobicContact CB-CG1 3.98Å; K264-I266 PolarHBondContact O-N 2.77Å
265V92.8Very high93.4Very high47 Ų4749 Ų4929%0.28524%0.243SC..PPolyproline II helixtrans-63.9121.8157.7-170.80000106.8M243 L259 T273 L290 A295M243-V265 HydrophobicContact SD-CG2 4.17Å; L259-V265 HydrophobicContact CD2-CG2 4.38Å; V265-T273 HydrophobicContact CG1-CG2 4.4Å; V265-L290 HydrophobicContact CG2-CD2 3.99Å; V265-A295 HydrophobicContact CG1-CB 4.32Å; V265-A295 HydrophobicContact CG2-CB 4.22Å
266I92.4Very high93.4Very high43 Ų4349.1 Ų49.122%0.22124%0.243CC..  trans-132153-177.4-67.3172.1000106.3T241 H244 K264T241-I266 HydrophobicContact CG2-CB 4.28Å; T241-I266 HydrophobicContact CG2-CD1 4.44Å; T241-I266 HydrophobicContact CG2-CG2 4.48Å; H244-I266 PolarHBondContact CE1-O 3.48Å; H244-I266 PolarHBondContact NE2-O 2.95Å; K264-I266 HydrophobicContact CB-CD1 4.24Å; K264-I266 HydrophobicContact CB-CG1 3.98Å; K264-I266 PolarHBondContact O-N 2.77Å
267R92.8Very high93.4Very high112 Ų11246.5 Ų46.542%0.42323%0.232SC..  trans-89.7143174.6-67.2172.580.4-1548.5111.6Q235 G271 G272 T273 E300Q235-R267 PolarHBondContact NE2-O 3.05Å; R267-G271 VanDerWaalsContact CZ-O 3.3Å; R267-G271 PolarHBondContact NE-O 2.99Å; R267-G271 PolarHBondContact NH2-O 3.03Å; R267-G272 CarbonylContact C-O 3.58Å; R267-G272 WeakPolarHBondContact CA-O 3.36Å; R267-G272 WeakPolarHBondContact CB-O 3.41Å; R267-T273 HydrophobicContact CG-CG2 3.58Å; R267-E300 PolarHBondContact NH2-O 2.84Å
268D92.2Very high93.5Very high19 Ų1944.4 Ų44.410%0.10222%0.223CC..  trans-73.1-177.7167.772.410.5000111.5W270 G271 G272D268-W270 PolarHBondContact O-N 3.42Å; D268-W270 WeakPolarHBondContact OD1-CA 3.09Å; D268-W270 WeakPolarHBondContact OD1-CB 3.22Å; D268-W270 PolarHBondContact OD1-N 3.1Å; D268-G271 PolarHBondContact O-N 3.12Å; D268-G271 VanDerWaalsContact O-N 3.16Å; D268-G271 PolarHBondContact OD1-N 2.9Å; D268-G272 PolarHBondContact N-O 2.73Å; D268-G272 PolarHBondContact OD1-N 3.28Å
269F90.6Very high93.5Very high131 Ų13144.4 Ų44.458%0.57522%0.223SC*.THydrogen-bonded Turntrans-76.9-11.1177.7-56.4-24.8000113.4R237 E238 G271R237-F269 WeakPolarHBondContact O-CD2 3.26Å; R237-F269 WeakPolarHBondContact O-CE2 3.43Å; E238-F269 VanDerWaalsContact O-CB 3.31Å; E238-F269 WeakPolarHBondContact O-CB 3.45Å; E238-F269 WeakPolarHBondContact O-CG 3.37Å; E238-F269 PolarHBondContact O-N 2.99Å; F269-G271 VanDerWaalsContact C-N 3.29Å
270W86.2Confident93.4Very high96 Ų9645.3 Ų45.336%0.36423%0.226SC..THydrogen-bonded Turntrans-86.2-0.3167.9-50111.4000112.3E238 D268 G272 I302 P843E238-W270 PolarHBondContact OE2-NE1 3.46Å; D268-W270 PolarHBondContact O-N 3.42Å; D268-W270 WeakPolarHBondContact OD1-CA 3.09Å; D268-W270 WeakPolarHBondContact OD1-CB 3.22Å; D268-W270 PolarHBondContact OD1-N 3.1Å; W270-G272 PolarHBondContact O-N 3.32Å; W270-I302 WeakPolarHBondContact O-CB 3.1Å; W270-I302 WeakPolarHBondContact O-CG2 3.35Å; W270-I302 PolarHBondContact O-N 3.33Å; W270-P843 HydrophobicContact CH2-CG 3.6Å; W270-P843 HydrophobicContact CZ2-CG 3.99Å; W270-P843 HydrophobicContact CZ3-CG 4.11Å
271G88.2Confident93.2Very high8 Ų841.9 Ų41.98%0.08221%0.213CC..SBendtrans72.34.1-175.200000114.5R267 D268 F269R267-G271 VanDerWaalsContact CZ-O 3.3Å; R267-G271 PolarHBondContact NE-O 2.99Å; R267-G271 PolarHBondContact NH2-O 3.03Å; D268-G271 PolarHBondContact O-N 3.12Å; D268-G271 VanDerWaalsContact O-N 3.16Å; D268-G271 PolarHBondContact OD1-N 2.9Å; F269-G271 VanDerWaalsContact C-N 3.29Å
272G93.3Very high93.2Very high1 Ų139.7 Ų39.71%0.0120%0.204CC..  trans-69.3159.2170.800000111.3R267 D268 W270R267-G272 CarbonylContact C-O 3.58Å; R267-G272 WeakPolarHBondContact CA-O 3.36Å; R267-G272 WeakPolarHBondContact CB-O 3.41Å; D268-G272 PolarHBondContact N-O 2.73Å; D268-G272 PolarHBondContact OD1-N 3.28Å; W270-G272 PolarHBondContact O-N 3.32Å
273T96.6Very high93.5Very high3 Ų340.1 Ų40.12%0.01819%0.192CC..  trans-120.9168.2170.162.20000109.1V265 R267 L275 H276 D277 E299V265-T273 HydrophobicContact CG1-CG2 4.4Å; R267-T273 HydrophobicContact CG-CG2 3.58Å; T273-L275 PolarHBondContact O-N 3.45Å; T273-L275 PolarHBondContact OG1-N 2.81Å; T273-H276 PolarHBondContact N-ND1 3.32Å; T273-H276 WeakPolarHBondContact O-CA 3.47Å; T273-H276 VanDerWaalsContact O-CB 3.31Å; T273-H276 WeakPolarHBondContact O-CB 3.44Å; T273-H276 PolarHBondContact O-N 3.18Å; T273-H276 PolarHBondContact OG1-ND1 3.21Å; T273-D277 PolarHBondContact O-N 2.83Å; T273-D277 VanDerWaalsContact O-N 3.15Å; T273-E299 WeakPolarHBondContact CG2-OE2 3.49Å
274P97.1Very high93.6Very high0 Ų042 Ų420%020%0.201CC..Hα-helixtrans-52.3-21.8169.6-28.636.1000114.5M243 A247 D277 A278 L290M243-P274 HydrophobicContact CB-CB 4.49Å; M243-P274 HydrophobicContact CB-CG 3.92Å; M243-P274 HydrophobicContact CG-CB 3.97Å; M243-P274 HydrophobicContact CG-CG 3.8Å; M243-P274 HydrophobicContact SD-CB 4.29Å; M243-P274 HydrophobicContact SD-CG 3.94Å; A247-P274 HydrophobicContact CB-CB 3.88Å; A247-P274 WeakPolarHBondContact CB-O 3.32Å; P274-D277 WeakPolarHBondContact CA-OD2 3.47Å; P274-A278 WeakPolarHBondContact O-CB 3.41Å; P274-A278 PolarHBondContact O-N 3.26Å; P274-L290 VanDerWaalsContact C-CD1 3.49Å; P274-L290 HydrophobicContact CB-CD1 3.86Å; P274-L290 HydrophobicContact CB-CD2 4Å; P274-L290 WeakPolarHBondContact O-CD1 3.32Å
275L97.7Very high93.9Very high0 Ų039.1 Ų39.10%019%0.19CC..Hα-helixtrans-74.9-34.6174-173.863.2000112T273 A279 C287 L290 L291 A295 A307 L323T273-L275 PolarHBondContact O-N 3.45Å; T273-L275 PolarHBondContact OG1-N 2.81Å; L275-A279 WeakPolarHBondContact O-CB 3.49Å; L275-A279 PolarHBondContact O-N 3.13Å; L275-C287 HydrophobicContact CD1-CB 4.07Å; L275-L290 HydrophobicContact CB-CD1 4.34Å; L275-L290 HydrophobicContact CD1-CB 4.08Å; L275-L290 HydrophobicContact CD1-CD1 4.49Å; L275-L291 HydrophobicContact CD1-CG 4.21Å; L275-L291 HydrophobicContact CD2-CD2 3.76Å; L275-L291 HydrophobicContact CD2-CG 4.26Å; L275-A295 HydrophobicContact CB-CB 4.46Å; L275-A295 HydrophobicContact CD2-CB 4.25Å; L275-A307 HydrophobicContact CD2-CB 4.26Å; L275-A307 HydrophobicContact CG-CB 3.85Å; L275-L323 HydrophobicContact CD1-CD2 3.98Å; L275-L323 HydrophobicContact CD2-CD2 4.37Å; L275-L323 HydrophobicContact CG-CD2 4.33Å
276H96.4Very high94.1Very high1 Ų136.9 Ų36.91%0.00518%0.176CC..Hα-helixtrans-66.9-40171.5-66.374.9000110.9T273 A279 E280 E299 F305 A307 L310T273-H276 PolarHBondContact N-ND1 3.32Å; T273-H276 WeakPolarHBondContact O-CA 3.47Å; T273-H276 VanDerWaalsContact O-CB 3.31Å; T273-H276 WeakPolarHBondContact O-CB 3.44Å; T273-H276 PolarHBondContact O-N 3.18Å; T273-H276 PolarHBondContact OG1-ND1 3.21Å; H276-A279 PolarHBondContact O-N 2.89Å; H276-E280 VanDerWaalsContact O-CB 3.3Å; H276-E280 WeakPolarHBondContact O-CB 3.34Å; H276-E280 PolarHBondContact O-N 3.07Å; H276-E299 PolarHBondContact CE1-O 3.18Å; H276-E299 VanDerWaalsContact CE1-O 3.24Å; H276-E299 PolarHBondContact NE2-O 3Å; H276-E299 VanDerWaalsContact NE2-O 3.14Å; H276-F305 PolarHBondContact NE2-O 3.41Å; H276-A307 PolarHBondContact NE2-N 3.04Å; H276-L310 HydrophobicContact CB-CD1 3.74Å
277D95.3Very high94.4Very high23 Ų2334.9 Ų34.912%0.12317%0.166CC..Hα-helixtrans-61.4-51174.5-70.8-53000112.7H244 A247 T273 P274 A279 E280 N281H244-D277 WeakPolarHBondContact CA-OD2 3.11Å; H244-D277 WeakPolarHBondContact CB-OD2 3.43Å; H244-D277 IonicContact CD2-OD2 3.81Å; H244-D277 PolarHBondContact CD2-OD2 3.26Å; H244-D277 IonicContact CG-OD2 3.86Å; A247-D277 HydrophobicContact CB-CB 4.31Å; T273-D277 PolarHBondContact O-N 2.83Å; T273-D277 VanDerWaalsContact O-N 3.15Å; P274-D277 WeakPolarHBondContact CA-OD2 3.47Å; D277-A279 VanDerWaalsContact C-N 3.27Å; D277-A279 PolarHBondContact O-N 2.94Å; D277-E280 PolarHBondContact O-N 3Å; D277-N281 PolarHBondContact O-N 3.42Å; D277-N281 PolarHBondContact O-ND2 3.36Å
278A97.4Very high94.5Very high0 Ų032.5 Ų32.50%016%0.159CC..Hα-helixtrans-60-41177.500000111.2A247 P274 G282 E283 C287 L290A247-A278 HydrophobicContact CB-CB 4.2Å; P274-A278 WeakPolarHBondContact O-CB 3.41Å; P274-A278 PolarHBondContact O-N 3.26Å; A278-G282 PolarHBondContact O-N 3.1Å; A278-E283 HydrophobicContact CB-CB 4.2Å; A278-E283 PolarHBondContact O-N 3.26Å; A278-C287 VanDerWaalsContact CB-SG 3.56Å; A278-L290 HydrophobicContact CB-CD1 4.5Å
279A96Very high94.8Very high0 Ų032.3 Ų32.30%016%0.157CC..Hα-helixtrans-71.8-40-179.700000113.1L275 H276 D277 N281 G282 A307 A311 L323L275-A279 WeakPolarHBondContact O-CB 3.49Å; L275-A279 PolarHBondContact O-N 3.13Å; H276-A279 PolarHBondContact O-N 2.89Å; D277-A279 VanDerWaalsContact C-N 3.27Å; D277-A279 PolarHBondContact O-N 2.94Å; A279-N281 VanDerWaalsContact C-N 3.26Å; A279-N281 PolarHBondContact O-N 3.01Å; A279-G282 PolarHBondContact O-N 3.13Å; A279-A307 HydrophobicContact CB-CB 3.89Å; A279-A307 WeakPolarHBondContact CB-O 3.44Å; A279-A311 HydrophobicContact CB-CB 4.06Å; A279-A311 VanDerWaalsContact O-CA 3.31Å; A279-A311 WeakPolarHBondContact O-CA 3.44Å; A279-A311 WeakPolarHBondContact O-CB 3.5Å; A279-L323 HydrophobicContact CB-CD1 3.65Å
280E92.9Very high95Very high38 Ų3826 Ų2618%0.17813%0.13CC..Hα-helixtrans-60.4-34.2174.8172.1164.7-165.800112.4H276 D277 L310 H316 R845 R848H276-E280 VanDerWaalsContact O-CB 3.3Å; H276-E280 WeakPolarHBondContact O-CB 3.34Å; H276-E280 PolarHBondContact O-N 3.07Å; D277-E280 PolarHBondContact O-N 3Å; E280-L310 HydrophobicContact CB-CB 4.46Å; E280-H316 PolarHBondContact O-CD2 2.89Å; E280-H316 PolarHBondContact O-NE2 3.25Å; E280-H316 VanDerWaalsContact O-NE2 3.12Å; E280-R845 IonicContact OE2-CZ 2.98Å; E280-R845 IonicContact OE2-NE 2.8Å; E280-R845 PolarHBondContact OE2-NE 2.92Å; E280-R845 IonicContact OE2-NH2 3.56Å; E280-R845 PolarHBondContact OE2-NH2 3.48Å; E280-R848 IonicContact OE1-CZ 3.98Å; E280-R848 IonicContact OE1-NH1 3.15Å; E280-R848 PolarHBondContact OE1-NH1 2.81Å; E280-R848 IonicContact OE1-NH2 3.56Å; E280-R848 PolarHBondContact OE1-NH2 2.64Å; E280-R848 IonicContact OE2-NH2 2.94Å
281N91.1Very high95.4Very high76 Ų7622.7 Ų22.741%0.40612%0.119SC..THydrogen-bonded Turntrans-98.50.5-178.6-64.7-88000113.8S248 D277 A279 E283S248-N281 WeakPolarHBondContact O-CB 3.43Å; S248-N281 VanDerWaalsContact O-CG 3.23Å; D277-N281 PolarHBondContact O-N 3.42Å; D277-N281 PolarHBondContact O-ND2 3.36Å; A279-N281 VanDerWaalsContact C-N 3.26Å; A279-N281 PolarHBondContact O-N 3.01Å; N281-E283 HydrophobicContact CB-CG 4.16Å
282G93.1Very high95.7Very high22 Ų2226.4 Ų26.423%0.22715%0.149CC..THydrogen-bonded Turntrans78.617.6176.700000115.7A278 A279 L284 H316 C319A278-G282 PolarHBondContact O-N 3.1Å; A279-G282 PolarHBondContact O-N 3.13Å; G282-L284 VanDerWaalsContact C-N 3.34Å; G282-L284 PolarHBondContact O-N 2.78Å; G282-H316 PolarHBondContact N-CD2 3.5Å; G282-H316 VanDerWaalsContact N-CD2 3.26Å; G282-C319 PolarHBondContact O-SG 3.42Å
283E96.8Very high95.7Very high63 Ų6330.1 Ų30.129%0.29417%0.169SC..  trans-80.674.3-172.9-64.1-69.4-171.100112.2R249 G250 A278 N281 E285 S286 C287R249-E283 VanDerWaalsContact C-OE1 3.3Å; G250-E283 WeakPolarHBondContact CA-OE1 3.44Å; G250-E283 WeakPolarHBondContact CA-OE2 3.15Å; G250-E283 PolarHBondContact N-OE1 3.44Å; G250-E283 VanDerWaalsContact N-OE1 3.15Å; A278-E283 HydrophobicContact CB-CB 4.2Å; A278-E283 PolarHBondContact O-N 3.26Å; N281-E283 HydrophobicContact CB-CG 4.16Å; E283-E285 VanDerWaalsContact C-N 3.28Å; E283-E285 PolarHBondContact O-N 2.86Å; E283-S286 WeakPolarHBondContact O-CB 3.27Å; E283-S286 PolarHBondContact O-N 2.96Å; E283-S286 VanDerWaalsContact O-N 3.1Å; E283-C287 PolarHBondContact O-N 2.95Å; E283-C287 PolarHBondContact O-SG 2.99Å
284L96.1Very high95.3Very high48 Ų4833.1 Ų33.125%0.25120%0.2SC..Hα-helixtrans-55-36.3-172.8-178.961.2000114.1G282 C287 K288 C319 Y322G282-L284 VanDerWaalsContact C-N 3.34Å; G282-L284 PolarHBondContact O-N 2.78Å; L284-C287 WeakPolarHBondContact O-CB 3.25Å; L284-C287 PolarHBondContact O-N 2.93Å; L284-K288 WeakPolarHBondContact O-CG 3.44Å; L284-K288 PolarHBondContact O-N 3.33Å; L284-K288 VanDerWaalsContact O-N 3.1Å; L284-C319 WeakPolarHBondContact CA-SG 3.32Å; L284-C319 PolarHBondContact N-SG 2.91Å; L284-Y322 HydrophobicContact CD1-CD1 3.88Å; L284-Y322 HydrophobicContact CD1-CG 3.97Å
285E97.4Very high95.1Very high91 Ų9133.5 Ų33.543%0.42520%0.203SC..Hα-helixtrans-72.8-40.9179-142.463.9-140.800111.7E283 C287 K288 I289E283-E285 VanDerWaalsContact C-N 3.28Å; E283-E285 PolarHBondContact O-N 2.86Å; E285-C287 VanDerWaalsContact C-N 3.29Å; E285-C287 PolarHBondContact O-N 2.92Å; E285-K288 PolarHBondContact O-N 3.41Å; E285-K288 WeakPolarHBondContact OE1-CD 3.47Å; E285-K288 IonicContact OE1-NZ 2.76Å; E285-K288 PolarHBondContact OE1-NZ 3.27Å; E285-K288 IonicContact OE2-NZ 3.39Å; E285-K288 PolarHBondContact OE2-NZ 3.34Å; E285-I289 HydrophobicContact CG-CD1 4.26Å; E285-I289 WeakPolarHBondContact O-CD1 3.24Å; E285-I289 WeakPolarHBondContact O-CG1 3.32Å; E285-I289 PolarHBondContact O-N 3.34Å
286S97.3Very high94.8Very high0 Ų036.4 Ų36.40%022%0.219CC..Hα-helixtrans-57.9-43171.5-63.30000111.3E283 I289 L290E283-S286 WeakPolarHBondContact O-CB 3.27Å; E283-S286 PolarHBondContact O-N 2.96Å; E283-S286 VanDerWaalsContact O-N 3.1Å; S286-I289 PolarHBondContact O-N 3.05Å; S286-L290 WeakPolarHBondContact O-CB 3.43Å; S286-L290 PolarHBondContact O-N 2.95Å
287C97Very high94.7Very high0 Ų036.9 Ų36.90%022%0.222CC..Hα-helixtrans-57.7-48.5174.4-69.60000112.5L275 A278 E283 L284 E285 L291 L323L275-C287 HydrophobicContact CD1-CB 4.07Å; A278-C287 VanDerWaalsContact CB-SG 3.56Å; E283-C287 PolarHBondContact O-N 2.95Å; E283-C287 PolarHBondContact O-SG 2.99Å; L284-C287 WeakPolarHBondContact O-CB 3.25Å; L284-C287 PolarHBondContact O-N 2.93Å; E285-C287 VanDerWaalsContact C-N 3.29Å; E285-C287 PolarHBondContact O-N 2.92Å; C287-L291 WeakPolarHBondContact O-CB 3.22Å; C287-L291 WeakPolarHBondContact O-CD1 3.47Å; C287-L291 VanDerWaalsContact O-CG 3.27Å; C287-L291 WeakPolarHBondContact O-CG 3.35Å; C287-L291 PolarHBondContact O-N 3.01Å; C287-L291 VanDerWaalsContact O-N 3.11Å; C287-L323 HydrophobicContact CB-CD2 4.46Å
288K96.8Very high94.6Very high63 Ų6339.2 Ų39.227%0.27424%0.237SC..Hα-helixtrans-60.2-46176.9-68.7162.6-177.1168.10112.1L284 E285 L291 A292 Y322L284-K288 WeakPolarHBondContact O-CG 3.44Å; L284-K288 PolarHBondContact O-N 3.33Å; L284-K288 VanDerWaalsContact O-N 3.1Å; E285-K288 PolarHBondContact O-N 3.41Å; E285-K288 WeakPolarHBondContact OE1-CD 3.47Å; E285-K288 IonicContact OE1-NZ 2.76Å; E285-K288 PolarHBondContact OE1-NZ 3.27Å; E285-K288 IonicContact OE2-NZ 3.39Å; E285-K288 PolarHBondContact OE2-NZ 3.34Å; K288-L291 PolarHBondContact O-N 3.42Å; K288-A292 VanDerWaalsContact O-CB 3.27Å; K288-A292 WeakPolarHBondContact O-CB 3.45Å; K288-A292 PolarHBondContact O-N 3.39Å; K288-Y322 HydrophobicContact CB-CE1 4.27Å; K288-Y322 HydrophobicContact CG-CD1 4.29Å; K288-Y322 HydrophobicContact CG-CE1 3.52Å; K288-Y322 HydrophobicContact CG-CE2 4.46Å
289I96.6Very high94.4Very high14 Ų1442.2 Ų42.27%0.07225%0.251CS..Hα-helixtrans-64.8-43.5-176.4-73.1158.4000110.8H252 L255 E256 L259 E285 S286 A292 N293H252-I289 HydrophobicContact CB-CD1 3.62Å; L255-I289 HydrophobicContact CD2-CB 4.41Å; L255-I289 HydrophobicContact CD2-CG2 4.19Å; L255-I289 HydrophobicContact CG-CG2 4Å; E256-I289 HydrophobicContact CG-CD1 3.96Å; E256-I289 HydrophobicContact CG-CG1 4.23Å; E256-I289 HydrophobicContact CG-CG2 3.78Å; L259-I289 HydrophobicContact CD1-CG2 3.81Å; E285-I289 HydrophobicContact CG-CD1 4.26Å; E285-I289 WeakPolarHBondContact O-CD1 3.24Å; E285-I289 WeakPolarHBondContact O-CG1 3.32Å; E285-I289 PolarHBondContact O-N 3.34Å; S286-I289 PolarHBondContact O-N 3.05Å; I289-A292 PolarHBondContact O-N 2.85Å; I289-N293 PolarHBondContact O-N 2.88Å; I289-N293 VanDerWaalsContact O-N 3.09Å; I289-N293 PolarHBondContact O-ND2 3.35Å
290L96.1Very high94.2Very high0 Ų047.5 Ų47.50%028%0.275CS..Hα-helixtrans-62.6-45.7176.3-83.1157.7000112.1M243 A247 L255 V265 P274 L275 A278 S286 N293 G294 A295M243-L290 HydrophobicContact SD-CD2 3.91Å; A247-L290 HydrophobicContact CB-CD1 4.17Å; L255-L290 HydrophobicContact CD1-CD1 4.23Å; L255-L290 HydrophobicContact CD1-CD2 4.02Å; L255-L290 HydrophobicContact CD1-CG 4Å; L255-L290 HydrophobicContact CD2-CD1 3.98Å; L255-L290 HydrophobicContact CD2-CG 4.03Å; L255-L290 HydrophobicContact CG-CG 4.38Å; V265-L290 HydrophobicContact CG2-CD2 3.99Å; P274-L290 VanDerWaalsContact C-CD1 3.49Å; P274-L290 HydrophobicContact CB-CD1 3.86Å; P274-L290 HydrophobicContact CB-CD2 4Å; P274-L290 WeakPolarHBondContact O-CD1 3.32Å; L275-L290 HydrophobicContact CB-CD1 4.34Å; L275-L290 HydrophobicContact CD1-CB 4.08Å; L275-L290 HydrophobicContact CD1-CD1 4.49Å; A278-L290 HydrophobicContact CB-CD1 4.5Å; S286-L290 WeakPolarHBondContact O-CB 3.43Å; S286-L290 PolarHBondContact O-N 2.95Å; L290-N293 CarbonylContact O-C 3.48Å; L290-N293 PolarHBondContact O-N 2.72Å; L290-G294 PolarHBondContact O-N 2.73Å; L290-A295 HydrophobicContact CB-CB 3.91Å; L290-A295 HydrophobicContact CD2-CB 4.32Å; L290-A295 VanDerWaalsContact O-CB 3.28Å; L290-A295 WeakPolarHBondContact O-CB 3.46Å; L290-A295 PolarHBondContact O-N 2.94Å
291L94.9Very high94Very high26 Ų2646 Ų4614%0.13627%0.269CS..Hα-helixtrans-64.5-40.9176.4-69.7169.7000112.5L275 C287 K288 N293 G294 P297 Y322 L323 I326L275-L291 HydrophobicContact CD1-CG 4.21Å; L275-L291 HydrophobicContact CD2-CD2 3.76Å; L275-L291 HydrophobicContact CD2-CG 4.26Å; C287-L291 WeakPolarHBondContact O-CB 3.22Å; C287-L291 WeakPolarHBondContact O-CD1 3.47Å; C287-L291 VanDerWaalsContact O-CG 3.27Å; C287-L291 WeakPolarHBondContact O-CG 3.35Å; C287-L291 PolarHBondContact O-N 3.01Å; C287-L291 VanDerWaalsContact O-N 3.11Å; K288-L291 PolarHBondContact O-N 3.42Å; L291-N293 PolarHBondContact O-N 2.66Å; L291-G294 PolarHBondContact O-N 2.92Å; L291-P297 HydrophobicContact CD2-CB 3.85Å; L291-P297 HydrophobicContact CD2-CG 4.09Å; L291-Y322 HydrophobicContact CD1-CD1 4.43Å; L291-Y322 HydrophobicContact CD1-CE1 3.75Å; L291-L323 HydrophobicContact CD1-CD2 3.98Å; L291-I326 HydrophobicContact CD1-CB 4.38Å; L291-I326 HydrophobicContact CD1-CG1 4.14Å; L291-I326 HydrophobicContact CD1-CG2 4.27Å; L291-I326 HydrophobicContact CD2-CG2 4.31Å
292A93.8Very high93.8Very high85 Ų8547.7 Ų47.770%0.70228%0.277SS*.Hα-helixtrans-63.7-24.3175.700000113K288 I289K288-A292 VanDerWaalsContact O-CB 3.27Å; K288-A292 WeakPolarHBondContact O-CB 3.45Å; K288-A292 PolarHBondContact O-N 3.39Å; I289-A292 PolarHBondContact O-N 2.85Å
293N92.7Very high93.1Very high80 Ų8048.5 Ų48.543%0.42828%0.276SS..THydrogen-bonded Turntrans-10014.6174.6-71.1-90.6000113.3L259 I289 L290 L291L259-N293 HydrophobicContact CD1-CB 3.94Å; L259-N293 HydrophobicContact CD2-CB 4.01Å; L259-N293 HydrophobicContact CG-CB 4.4Å; I289-N293 PolarHBondContact O-N 2.88Å; I289-N293 VanDerWaalsContact O-N 3.09Å; I289-N293 PolarHBondContact O-ND2 3.35Å; L290-N293 CarbonylContact O-C 3.48Å; L290-N293 PolarHBondContact O-N 2.72Å; L291-N293 PolarHBondContact O-N 2.66Å
294G87.9Confident92.7Very high66 Ų6647.5 Ų47.568%0.6828%0.282SS*.THydrogen-bonded Turntrans86.418.9169.200000116.4L290 L291L290-G294 PolarHBondContact O-N 2.73Å; L291-G294 PolarHBondContact O-N 2.92Å
295A93Very high92.4Very high7 Ų746 Ų466%0.05827%0.273CS..  trans-61.2138.4163.500000110.2V265 L275 L290 P297V265-A295 HydrophobicContact CG1-CB 4.32Å; V265-A295 HydrophobicContact CG2-CB 4.22Å; L275-A295 HydrophobicContact CB-CB 4.46Å; L275-A295 HydrophobicContact CD2-CB 4.25Å; L290-A295 HydrophobicContact CB-CB 3.91Å; L290-A295 HydrophobicContact CD2-CB 4.32Å; L290-A295 VanDerWaalsContact O-CB 3.28Å; L290-A295 WeakPolarHBondContact O-CB 3.46Å; L290-A295 PolarHBondContact O-N 2.94Å; A295-P297 WeakPolarHBondContact O-CD 3.21Å
296N93.1Very high92.4Very high62 Ų6242.2 Ų42.233%0.33226%0.257SS..  trans-81.7122.1179.4-173.95.8000110.9T298 E299N296-T298 VanDerWaalsContact C-N 3.28Å; N296-T298 PolarHBondContact O-N 3.37Å; N296-T298 PolarHBondContact OD1-N 2.94Å; N296-T298 PolarHBondContact OD1-OG1 3.39Å; N296-E299 HydrophobicContact CB-CB 4.45Å; N296-E299 HydrophobicContact CB-CG 3.99Å; N296-E299 VanDerWaalsContact CB-OE1 3.32Å; N296-E299 WeakPolarHBondContact CB-OE1 3.45Å
297P93.3Very high92.2Very high10 Ų1042.3 Ų42.37%0.06526%0.257CS..THydrogen-bonded Turntrans-69.1-24.1173.928.5-35.5000113.5L291 A295 I326 E327L291-P297 HydrophobicContact CD2-CB 3.85Å; L291-P297 HydrophobicContact CD2-CG 4.09Å; A295-P297 WeakPolarHBondContact O-CD 3.21Å; P297-I326 HydrophobicContact CG-CG2 4.24Å; P297-E327 HydrophobicContact CB-CG 3.91Å; P297-E327 HydrophobicContact CG-CG 4.43Å
298T93.4Very high92.2Very high73 Ų7342.3 Ų42.345%0.44826%0.257SS..THydrogen-bonded Turntrans-98.918.2-177.581.80000113.2N296 E327N296-T298 VanDerWaalsContact C-N 3.28Å; N296-T298 PolarHBondContact O-N 3.37Å; N296-T298 PolarHBondContact OD1-N 2.94Å; N296-T298 PolarHBondContact OD1-OG1 3.39Å; T298-E327 HydrophobicContact CG2-CG 4.29Å
299E92.8Very high91.9Very high63 Ų6340.6 Ų40.629%0.29425%0.251SS..  trans-74.4140.3162.8-90.3171.5-127.900109.2T273 H276 N296T273-E299 WeakPolarHBondContact CG2-OE2 3.49Å; H276-E299 PolarHBondContact CE1-O 3.18Å; H276-E299 VanDerWaalsContact CE1-O 3.24Å; H276-E299 PolarHBondContact NE2-O 3Å; H276-E299 VanDerWaalsContact NE2-O 3.14Å; N296-E299 HydrophobicContact CB-CB 4.45Å; N296-E299 HydrophobicContact CB-CG 3.99Å; N296-E299 VanDerWaalsContact CB-OE1 3.32Å; N296-E299 WeakPolarHBondContact CB-OE1 3.45Å
300E92.6Very high91.6Very high110 Ų11040.1 Ų40.151%0.51425%0.249SC..BIsolated β-bridgetrans-109.1148.3177.6-67170.6-171.500109.8R267 F305 T306R267-E300 PolarHBondContact NH2-O 2.84Å; E300-F305 WeakPolarHBondContact CA-O 3.22Å; E300-T306 HydrophobicContact CG-CG2 3.96Å
301D88.9Confident91.4Very high8 Ų840.1 Ų40.14%0.04325%0.249CC..  trans-78-178.4169.576.82.2000112.8D303 G304 F305 R845D301-D303 PolarHBondContact O-N 3.2Å; D301-D303 WeakPolarHBondContact OD1-CA 3.33Å; D301-D303 PolarHBondContact OD1-N 3.22Å; D301-G304 PolarHBondContact O-N 3.34Å; D301-G304 PolarHBondContact OD1-N 3.03Å; D301-G304 VanDerWaalsContact OD1-N 3.08Å; D301-F305 PolarHBondContact N-O 3.16Å; D301-F305 PolarHBondContact OD1-N 3.36Å; D301-R845 IonicContact OD2-CZ 3.27Å; D301-R845 IonicContact OD2-NH1 2.91Å; D301-R845 PolarHBondContact OD2-NH1 3.47Å
302I86.3Confident91.3Very high111 Ų11144 Ų4457%0.56927%0.266SS*.THydrogen-bonded Turntrans-65-18.2-179.7-161.7168.4000113.9W270W270-I302 WeakPolarHBondContact O-CB 3.1Å; W270-I302 WeakPolarHBondContact O-CG2 3.35Å; W270-I302 PolarHBondContact O-N 3.33Å
303D79.5Confident90.9Very high39 Ų3944 Ų4421%0.20925%0.249CC..THydrogen-bonded Turntrans-94.5-1.5176-76.6-39.9000112.4D301 F305 R849D301-D303 PolarHBondContact O-N 3.2Å; D301-D303 WeakPolarHBondContact OD1-CA 3.33Å; D301-D303 PolarHBondContact OD1-N 3.22Å; D303-F305 HydrophobicContact CB-CD2 3.65Å; D303-F305 HydrophobicContact CB-CE2 3.77Å; D303-R849 WeakPolarHBondContact OD1-CD 3.41Å; D303-R849 IonicContact OD1-CZ 3.45Å; D303-R849 IonicContact OD1-NE 3.4Å; D303-R849 IonicContact OD1-NH1 4Å; D303-R849 PolarHBondContact OD1-NH1 2.99Å
304G88.3Confident90.4Very high41 Ų4142.7 Ų42.742%0.42324%0.242SC..SBendtrans83.721.9177.600000114.2D301D301-G304 PolarHBondContact O-N 3.34Å; D301-G304 PolarHBondContact OD1-N 3.03Å; D301-G304 VanDerWaalsContact OD1-N 3.08Å
305F89.9Confident90.3Very high16 Ų1642.1 Ų42.17%0.0724%0.236CC..  trans-95.7130.9175.3-66.2-98.6000110.6H276 E300 D301 D303 D309 L310 R852H276-F305 PolarHBondContact NE2-O 3.41Å; E300-F305 WeakPolarHBondContact CA-O 3.22Å; D301-F305 PolarHBondContact N-O 3.16Å; D301-F305 PolarHBondContact OD1-N 3.36Å; D303-F305 HydrophobicContact CB-CD2 3.65Å; D303-F305 HydrophobicContact CB-CE2 3.77Å; F305-D309 HydrophobicContact CB-CB 4.19Å; F305-D309 HydrophobicContact CD1-CB 3.85Å; F305-L310 HydrophobicContact CB-CD2 3.77Å; F305-L310 HydrophobicContact CB-CG 3.95Å; F305-L310 HydrophobicContact CD1-CD2 4.17Å; F305-L310 HydrophobicContact CG-CD2 3.98Å; F305-R852 VanDerWaalsContact CE1-NH1 3.3Å
306T95.4Very high90.4Very high13 Ų1345 Ų458%0.0825%0.248CC..BIsolated β-bridgetrans-74.6166.8162.770.80000110.8E300 A308 D309 L310E300-T306 HydrophobicContact CG-CG2 3.96Å; T306-A308 PolarHBondContact O-N 2.86Å; T306-A308 PolarHBondContact OG1-N 3.26Å; T306-D309 WeakPolarHBondContact CB-OD2 3.38Å; T306-D309 PolarHBondContact N-OD2 3.3Å; T306-D309 PolarHBondContact O-N 2.89Å; T306-D309 VanDerWaalsContact O-N 3.09Å; T306-D309 PolarHBondContact OG1-N 3.16Å; T306-D309 PolarHBondContact OG1-OD2 2.91Å; T306-L310 PolarHBondContact O-N 2.59Å; T306-L310 VanDerWaalsContact O-N 3.11Å
307A94.8Very high90.3Very high1 Ų145.8 Ų45.81%0.00826%0.259CS..Hα-helixtrans-53-39.9169.800000112.7L275 H276 A279 L310 A311 L323L275-A307 HydrophobicContact CD2-CB 4.26Å; L275-A307 HydrophobicContact CG-CB 3.85Å; H276-A307 PolarHBondContact NE2-N 3.04Å; A279-A307 HydrophobicContact CB-CB 3.89Å; A279-A307 WeakPolarHBondContact CB-O 3.44Å; A307-L310 PolarHBondContact O-N 3.35Å; A307-A311 PolarHBondContact O-N 3.06Å; A307-L323 HydrophobicContact CB-CD1 4.25Å; A307-L323 HydrophobicContact CB-CD2 4.47Å
308A96Very high90.4Very high0 Ų050 Ų500%028%0.278CS..Hα-helixtrans-67.3-37.5177.200000113T306 L310 A311 E312 L323 R324 E327T306-A308 PolarHBondContact O-N 2.86Å; T306-A308 PolarHBondContact OG1-N 3.26Å; A308-L310 VanDerWaalsContact C-N 3.28Å; A308-L310 PolarHBondContact O-N 2.84Å; A308-A311 PolarHBondContact O-N 3.2Å; A308-E312 VanDerWaalsContact O-CB 3.24Å; A308-E312 WeakPolarHBondContact O-CB 3.46Å; A308-E312 PolarHBondContact O-N 2.92Å; A308-L323 HydrophobicContact CB-CB 3.66Å; A308-L323 HydrophobicContact CB-CD1 4.42Å; A308-R324 HydrophobicContact CB-CG 3.95Å; A308-E327 WeakPolarHBondContact CB-OE1 3.33Å
309D91.2Very high90.4Very high28 Ų2846.7 Ų46.715%0.1526%0.257CS..Hα-helixtrans-64.3-34.5176.4-66.8-77.1000111.8F305 T306 Y313 R324F305-D309 HydrophobicContact CB-CB 4.19Å; F305-D309 HydrophobicContact CD1-CB 3.85Å; T306-D309 WeakPolarHBondContact CB-OD2 3.38Å; T306-D309 PolarHBondContact N-OD2 3.3Å; T306-D309 PolarHBondContact O-N 2.89Å; T306-D309 VanDerWaalsContact O-N 3.09Å; T306-D309 PolarHBondContact OG1-N 3.16Å; T306-D309 PolarHBondContact OG1-OD2 2.91Å; D309-Y313 VanDerWaalsContact O-CB 3.32Å; D309-Y313 WeakPolarHBondContact O-CB 3.31Å; D309-Y313 PolarHBondContact O-N 3.18Å; D309-R324 VanDerWaalsContact CG-NH2 3.32Å; D309-R324 IonicContact OD1-CZ 2.72Å; D309-R324 IonicContact OD1-NH1 3.37Å; D309-R324 IonicContact OD1-NH2 2.87Å; D309-R324 PolarHBondContact OD1-NH2 3.41Å; D309-R324 IonicContact OD2-CZ 3.21Å; D309-R324 IonicContact OD2-NH1 2.69Å; D309-R324 PolarHBondContact OD2-NH1 2.94Å; D309-R324 VanDerWaalsContact OD2-NH1 3.15Å; D309-R324 IonicContact OD2-NH2 2.71Å
310L89.4Confident90.5Very high4 Ų444 Ų442%0.02125%0.246CC..Hα-helixtrans-70.9-42.1174.1-64.9178000112.5H276 E280 F305 T306 A307 A308 E312 Y313 N314H276-L310 HydrophobicContact CB-CD1 3.74Å; E280-L310 HydrophobicContact CB-CB 4.46Å; F305-L310 HydrophobicContact CB-CD2 3.77Å; F305-L310 HydrophobicContact CB-CG 3.95Å; F305-L310 HydrophobicContact CD1-CD2 4.17Å; F305-L310 HydrophobicContact CG-CD2 3.98Å; T306-L310 PolarHBondContact O-N 2.59Å; T306-L310 VanDerWaalsContact O-N 3.11Å; A307-L310 PolarHBondContact O-N 3.35Å; A308-L310 VanDerWaalsContact C-N 3.28Å; A308-L310 PolarHBondContact O-N 2.84Å; L310-E312 VanDerWaalsContact C-N 3.31Å; L310-E312 PolarHBondContact O-N 3.2Å; L310-Y313 PolarHBondContact O-N 3.29Å; L310-N314 PolarHBondContact O-N 3.26Å; L310-N314 VanDerWaalsContact O-N 3.08Å; L310-N314 PolarHBondContact O-ND2 3.08Å
311A92.8Very high90.6Very high0 Ų045.9 Ų45.90%025%0.248CC..Hα-helixtrans-62.1-40.2172.500000111.8A279 A307 A308 G315 H316 C319 A320 L323A279-A311 HydrophobicContact CB-CB 4.06Å; A279-A311 VanDerWaalsContact O-CA 3.31Å; A279-A311 WeakPolarHBondContact O-CA 3.44Å; A279-A311 WeakPolarHBondContact O-CB 3.5Å; A307-A311 PolarHBondContact O-N 3.06Å; A308-A311 PolarHBondContact O-N 3.2Å; A311-G315 PolarHBondContact O-N 2.9Å; A311-H316 HydrophobicContact CB-CB 4.22Å; A311-H316 WeakPolarHBondContact O-CA 3.44Å; A311-H316 PolarHBondContact O-N 3.41Å; A311-C319 HydrophobicContact CB-CB 3.74Å; A311-A320 HydrophobicContact CB-CB 3.92Å; A311-L323 HydrophobicContact CB-CD1 4.23Å
312E91.6Very high91Very high107 Ų10748.8 Ų48.850%0.526%0.259SS..Hα-helixtrans-67.8-41.2178.3-168.1164.6-172.300111.3A308 L310 G315 A320 R324A308-E312 VanDerWaalsContact O-CB 3.24Å; A308-E312 WeakPolarHBondContact O-CB 3.46Å; A308-E312 PolarHBondContact O-N 2.92Å; L310-E312 VanDerWaalsContact C-N 3.31Å; L310-E312 PolarHBondContact O-N 3.2Å; E312-G315 PolarHBondContact O-N 3.02Å; E312-A320 HydrophobicContact CB-CB 3.92Å; E312-R324 IonicContact OE2-CZ 3.02Å; E312-R324 IonicContact OE2-NE 3.56Å; E312-R324 PolarHBondContact OE2-NE 3.28Å; E312-R324 IonicContact OE2-NH2 2.9Å; E312-R324 PolarHBondContact OE2-NH2 2.85Å
313Y85.1Confident91.4Very high85 Ų8543.5 Ų43.533%0.33323%0.232SC..Hα-helixtrans-61.4-47.2175.9-171.7-74.1000112.6D309 L310 G315 R848D309-Y313 VanDerWaalsContact O-CB 3.32Å; D309-Y313 WeakPolarHBondContact O-CB 3.31Å; D309-Y313 PolarHBondContact O-N 3.18Å; L310-Y313 PolarHBondContact O-N 3.29Å; Y313-G315 PolarHBondContact O-N 2.92Å; Y313-R848 HydrophobicContact CD1-CG 4.28Å; Y313-R848 HydrophobicContact CE1-CB 4.15Å; Y313-R848 HydrophobicContact CE1-CG 3.5Å; Y313-R848 VanDerWaalsContact CE1-CG 3.5Å; Y313-R848 HydrophobicContact CE2-CB 4.07Å; Y313-R848 HydrophobicContact CE2-CG 4.32Å
314N82.8Confident92.1Very high52 Ų5244.5 Ų44.528%0.27823%0.233SC..THydrogen-bonded Turntrans-84.810.1-176.1-59.8-76.5000112.9L310 H316 R848L310-N314 PolarHBondContact O-N 3.26Å; L310-N314 VanDerWaalsContact O-N 3.08Å; L310-N314 PolarHBondContact O-ND2 3.08Å; N314-H316 VanDerWaalsContact C-N 3.34Å; N314-H316 PolarHBondContact O-N 3.36Å; N314-R848 PolarHBondContact OD1-NH1 2.81Å
315G85.9Confident92.3Very high55 Ų5544.7 Ų44.757%0.56723%0.231SC*.THydrogen-bonded Turntrans80.36.9174.400000115.3A311 E312 Y313 S317A311-G315 PolarHBondContact O-N 2.9Å; E312-G315 PolarHBondContact O-N 3.02Å; Y313-G315 PolarHBondContact O-N 2.92Å; G315-S317 PolarHBondContact O-N 3.39Å
316H94.8Very high92.4Very high66 Ų6646.3 Ų46.331%0.30624%0.24SC..  trans-78.962.4179.1-57.5-51.4000111.7E280 G282 A311 N314 E318 C319 A320E280-H316 PolarHBondContact O-CD2 2.89Å; E280-H316 PolarHBondContact O-NE2 3.25Å; E280-H316 VanDerWaalsContact O-NE2 3.12Å; G282-H316 PolarHBondContact N-CD2 3.5Å; G282-H316 VanDerWaalsContact N-CD2 3.26Å; A311-H316 HydrophobicContact CB-CB 4.22Å; A311-H316 WeakPolarHBondContact O-CA 3.44Å; A311-H316 PolarHBondContact O-N 3.41Å; N314-H316 VanDerWaalsContact C-N 3.34Å; N314-H316 PolarHBondContact O-N 3.36Å; H316-E318 VanDerWaalsContact C-N 3.27Å; H316-E318 PolarHBondContact O-N 3.15Å; H316-E318 VanDerWaalsContact O-N 3.15Å; H316-C319 HydrophobicContact CB-CB 4.2Å; H316-C319 WeakPolarHBondContact O-CB 3.43Å; H316-C319 PolarHBondContact O-N 2.79Å; H316-A320 PolarHBondContact O-N 3.48Å
317S91.7Very high92.1Very high80 Ų8047 Ų4756%0.55924%0.242SC*.Hα-helixtrans-52.1-37.4-173.558.70000114.3G315 R321G315-S317 PolarHBondContact O-N 3.39Å; S317-R321 WeakPolarHBondContact O-CB 3.36Å; S317-R321 PolarHBondContact O-N 3.44Å
318E94.6Very high91.6Very high98 Ų9853.2 Ų53.246%0.45827%0.269SS..Hα-helixtrans-68.6-38.3176.6-74-67.690.800113H316 R321 Y322H316-E318 VanDerWaalsContact C-N 3.27Å; H316-E318 PolarHBondContact O-N 3.15Å; H316-E318 VanDerWaalsContact O-N 3.15Å; E318-R321 IonicContact OE1-CZ 3.42Å; E318-R321 IonicContact OE1-NE 2.71Å; E318-R321 PolarHBondContact OE1-NE 3.24Å; E318-R321 IonicContact OE1-NH2 2.69Å; E318-R321 PolarHBondContact OE1-NH2 3.05Å; E318-R321 IonicContact OE2-CZ 3.9Å; E318-R321 IonicContact OE2-NH2 3.81Å; E318-R321 PolarHBondContact OE2-NH2 3.34Å; E318-Y322 WeakPolarHBondContact O-CB 3.32Å; E318-Y322 PolarHBondContact O-N 3Å
319C94.6Very high90.7Very high3 Ų358.1 Ų58.12%0.0230%0.295CS..Hα-helixtrans-67.4-49.5173.2-74.60000110.8G282 L284 A311 H316 R321 Y322 L323G282-C319 PolarHBondContact O-SG 3.42Å; L284-C319 WeakPolarHBondContact CA-SG 3.32Å; L284-C319 PolarHBondContact N-SG 2.91Å; A311-C319 HydrophobicContact CB-CB 3.74Å; H316-C319 HydrophobicContact CB-CB 4.2Å; H316-C319 WeakPolarHBondContact O-CB 3.43Å; H316-C319 PolarHBondContact O-N 2.79Å; C319-R321 PolarHBondContact O-N 3.14Å; C319-Y322 PolarHBondContact O-N 3.22Å; C319-L323 HydrophobicContact CB-CD1 4.44Å; C319-L323 WeakPolarHBondContact O-CB 3.48Å; C319-L323 WeakPolarHBondContact O-CD1 3.28Å; C319-L323 VanDerWaalsContact O-CG 3.22Å; C319-L323 WeakPolarHBondContact O-CG 3.1Å; C319-L323 PolarHBondContact O-N 3.36Å
320A94.4Very high89.5Confident6 Ų658.8 Ų58.85%0.0530%0.304CS..Hα-helixtrans-56.5-50.1176.500000111.1A311 E312 H316 Y322 L323 R324A311-A320 HydrophobicContact CB-CB 3.92Å; E312-A320 HydrophobicContact CB-CB 3.92Å; H316-A320 PolarHBondContact O-N 3.48Å; A320-Y322 VanDerWaalsContact C-N 3.29Å; A320-Y322 PolarHBondContact O-N 2.87Å; A320-L323 PolarHBondContact O-N 2.78Å; A320-R324 WeakPolarHBondContact O-CB 3.21Å; A320-R324 WeakPolarHBondContact O-CG 3.4Å; A320-R324 PolarHBondContact O-N 3.12Å
321R95.4Very high88Confident151 Ų15161 Ų6157%0.5732%0.32SS*.Hα-helixtrans-58.9-37.6178.6-174.618066.572.1-3.5112.7S317 E318 C319 A325S317-R321 WeakPolarHBondContact O-CB 3.36Å; S317-R321 PolarHBondContact O-N 3.44Å; E318-R321 IonicContact OE1-CZ 3.42Å; E318-R321 IonicContact OE1-NE 2.71Å; E318-R321 PolarHBondContact OE1-NE 3.24Å; E318-R321 IonicContact OE1-NH2 2.69Å; E318-R321 PolarHBondContact OE1-NH2 3.05Å; E318-R321 IonicContact OE2-CZ 3.9Å; E318-R321 IonicContact OE2-NH2 3.81Å; E318-R321 PolarHBondContact OE2-NH2 3.34Å; C319-R321 PolarHBondContact O-N 3.14Å; R321-A325 WeakPolarHBondContact O-CB 3.41Å; R321-A325 PolarHBondContact O-N 2.84Å
322Y96.4Very high85.7Confident69 Ų6969.6 Ų69.627%0.27135%0.353SS..Hα-helixtrans-71.2-50.6175.5179.7-112.4000111.8L284 K288 L291 E318 C319 A320 A325 I326L284-Y322 HydrophobicContact CD1-CD1 3.88Å; L284-Y322 HydrophobicContact CD1-CG 3.97Å; K288-Y322 HydrophobicContact CB-CE1 4.27Å; K288-Y322 HydrophobicContact CG-CD1 4.29Å; K288-Y322 HydrophobicContact CG-CE1 3.52Å; K288-Y322 HydrophobicContact CG-CE2 4.46Å; L291-Y322 HydrophobicContact CD1-CD1 4.43Å; L291-Y322 HydrophobicContact CD1-CE1 3.75Å; E318-Y322 WeakPolarHBondContact O-CB 3.32Å; E318-Y322 PolarHBondContact O-N 3Å; C319-Y322 PolarHBondContact O-N 3.22Å; A320-Y322 VanDerWaalsContact C-N 3.29Å; A320-Y322 PolarHBondContact O-N 2.87Å; Y322-A325 WeakPolarHBondContact O-CB 3.36Å; Y322-A325 PolarHBondContact O-N 3.13Å; Y322-A325 VanDerWaalsContact O-N 3.08Å; Y322-I326 HydrophobicContact CE1-CG1 4.37Å; Y322-I326 HydrophobicContact CE2-CD1 4.17Å; Y322-I326 HydrophobicContact CE2-CG1 4.17Å; Y322-I326 PolarHBondContact O-N 3.21Å; Y322-I326 VanDerWaalsContact O-N 3.17Å
323L95.3Very high83.6Confident0 Ų069.8 Ų69.80%036%0.361CS..Hα-helixtrans-59.2-50.8180-67.7160.9000111.4L275 A279 C287 L291 A307 A308 A311 C319 A320 A325 I326 E327L275-L323 HydrophobicContact CD1-CD2 3.98Å; L275-L323 HydrophobicContact CD2-CD2 4.37Å; L275-L323 HydrophobicContact CG-CD2 4.33Å; A279-L323 HydrophobicContact CB-CD1 3.65Å; C287-L323 HydrophobicContact CB-CD2 4.46Å; L291-L323 HydrophobicContact CD1-CD2 3.98Å; A307-L323 HydrophobicContact CB-CD1 4.25Å; A307-L323 HydrophobicContact CB-CD2 4.47Å; A308-L323 HydrophobicContact CB-CB 3.66Å; A308-L323 HydrophobicContact CB-CD1 4.42Å; A311-L323 HydrophobicContact CB-CD1 4.23Å; C319-L323 HydrophobicContact CB-CD1 4.44Å; C319-L323 WeakPolarHBondContact O-CB 3.48Å; C319-L323 WeakPolarHBondContact O-CD1 3.28Å; C319-L323 VanDerWaalsContact O-CG 3.22Å; C319-L323 WeakPolarHBondContact O-CG 3.1Å; C319-L323 PolarHBondContact O-N 3.36Å; A320-L323 PolarHBondContact O-N 2.78Å; L323-A325 PolarHBondContact O-N 2.95Å; L323-A325 VanDerWaalsContact O-N 3.11Å; L323-I326 PolarHBondContact O-N 3.08Å; L323-E327 WeakPolarHBondContact O-CG 3.21Å; L323-E327 PolarHBondContact O-N 3.41Å
324R94.1Very high81.7Confident59 Ų5972.9 Ų72.922%0.22338%0.383CS..Hα-helixtrans-56.7-27.4174.7-65.9-58.4-164-158.9-0.2113.5A308 D309 E312 A320 E327 K328A308-R324 HydrophobicContact CB-CG 3.95Å; D309-R324 VanDerWaalsContact CG-NH2 3.32Å; D309-R324 IonicContact OD1-CZ 2.72Å; D309-R324 IonicContact OD1-NH1 3.37Å; D309-R324 IonicContact OD1-NH2 2.87Å; D309-R324 PolarHBondContact OD1-NH2 3.41Å; D309-R324 IonicContact OD2-CZ 3.21Å; D309-R324 IonicContact OD2-NH1 2.69Å; D309-R324 PolarHBondContact OD2-NH1 2.94Å; D309-R324 VanDerWaalsContact OD2-NH1 3.15Å; D309-R324 IonicContact OD2-NH2 2.71Å; E312-R324 IonicContact OE2-CZ 3.02Å; E312-R324 IonicContact OE2-NE 3.56Å; E312-R324 PolarHBondContact OE2-NE 3.28Å; E312-R324 IonicContact OE2-NH2 2.9Å; E312-R324 PolarHBondContact OE2-NH2 2.85Å; A320-R324 WeakPolarHBondContact O-CB 3.21Å; A320-R324 WeakPolarHBondContact O-CG 3.4Å; A320-R324 PolarHBondContact O-N 3.12Å; R324-E327 WeakPolarHBondContact CD-OE2 3.35Å; R324-E327 IonicContact NH1-OE1 3.77Å; R324-E327 IonicContact NH1-OE2 3.05Å; R324-K328 WeakPolarHBondContact O-CB 3.14Å; R324-K328 VanDerWaalsContact O-CD 3.27Å; R324-K328 WeakPolarHBondContact O-CD 3.44Å; R324-K328 WeakPolarHBondContact O-CG 3.04Å; R324-K328 PolarHBondContact O-N 2.92Å
325A92.8Very high79.7Confident46 Ų4680.3 Ų80.338%0.3841%0.408SS..Hα-helixtrans-76.8-36.7175.900000111.8R321 Y322 L323 N329R321-A325 WeakPolarHBondContact O-CB 3.41Å; R321-A325 PolarHBondContact O-N 2.84Å; Y322-A325 WeakPolarHBondContact O-CB 3.36Å; Y322-A325 PolarHBondContact O-N 3.13Å; Y322-A325 VanDerWaalsContact O-N 3.08Å; L323-A325 PolarHBondContact O-N 2.95Å; L323-A325 VanDerWaalsContact O-N 3.11Å; A325-N329 VanDerWaalsContact O-CG 3.23Å; A325-N329 PolarHBondContact O-N 3.26Å; A325-N329 PolarHBondContact O-ND2 3.04Å
326I91.7Very high77.4Confident50 Ų5081.8 Ų81.826%0.25641%0.409SS..Hα-helixtrans-73.1-42.1176-57.3-62000111.1L291 P297 Y322 L323 K328 N329 A330L291-I326 HydrophobicContact CD1-CB 4.38Å; L291-I326 HydrophobicContact CD1-CG1 4.14Å; L291-I326 HydrophobicContact CD1-CG2 4.27Å; L291-I326 HydrophobicContact CD2-CG2 4.31Å; P297-I326 HydrophobicContact CG-CG2 4.24Å; Y322-I326 HydrophobicContact CE1-CG1 4.37Å; Y322-I326 HydrophobicContact CE2-CD1 4.17Å; Y322-I326 HydrophobicContact CE2-CG1 4.17Å; Y322-I326 PolarHBondContact O-N 3.21Å; Y322-I326 VanDerWaalsContact O-N 3.17Å; L323-I326 PolarHBondContact O-N 3.08Å; I326-K328 PolarHBondContact O-N 2.93Å; I326-N329 PolarHBondContact O-N 3.04Å; I326-N329 VanDerWaalsContact O-N 3.17Å; I326-A330 PolarHBondContact O-N 3.29Å
327E88.1Confident75.1Confident28 Ų2886.6 Ų86.613%0.13144%0.435CS..Hα-helixtrans-52.4-50.5171.8-70.9166.9-162.200112.1P297 T298 A308 L323 R324 N329 A330 S331P297-E327 HydrophobicContact CB-CG 3.91Å; P297-E327 HydrophobicContact CG-CG 4.43Å; T298-E327 HydrophobicContact CG2-CG 4.29Å; A308-E327 WeakPolarHBondContact CB-OE1 3.33Å; L323-E327 WeakPolarHBondContact O-CG 3.21Å; L323-E327 PolarHBondContact O-N 3.41Å; R324-E327 WeakPolarHBondContact CD-OE2 3.35Å; R324-E327 IonicContact NH1-OE1 3.77Å; R324-E327 IonicContact NH1-OE2 3.05Å; E327-N329 VanDerWaalsContact C-N 3.32Å; E327-N329 PolarHBondContact O-N 3.25Å; E327-A330 PolarHBondContact O-N 3.2Å; E327-S331 PolarHBondContact O-N 2.76Å
328K84.1Confident72.4Confident131 Ų13191 Ų9157%0.5745%0.447SS*.Hα-helixtrans-58.3-45.8178.3-75.6168.4-170.8172.50110.7R324 I326 A330 S331 W332R324-K328 WeakPolarHBondContact O-CB 3.14Å; R324-K328 VanDerWaalsContact O-CD 3.27Å; R324-K328 WeakPolarHBondContact O-CD 3.44Å; R324-K328 WeakPolarHBondContact O-CG 3.04Å; R324-K328 PolarHBondContact O-N 2.92Å; I326-K328 PolarHBondContact O-N 2.93Å; K328-A330 PolarHBondContact O-N 3.02Å; K328-S331 PolarHBondContact O-N 3.38Å; K328-S331 PolarHBondContact O-OG 3.43Å; K328-W332 PolarHBondContact O-N 2.83Å
329N77.5Confident69.5Low103 Ų10391.2 Ų91.255%0.55146%0.455SS*.Hα-helixtrans-62.4-41.3177.4-67.6-19.2000112.5A325 I326 E327 S331 W332A325-N329 VanDerWaalsContact O-CG 3.23Å; A325-N329 PolarHBondContact O-N 3.26Å; A325-N329 PolarHBondContact O-ND2 3.04Å; I326-N329 PolarHBondContact O-N 3.04Å; I326-N329 VanDerWaalsContact O-N 3.17Å; E327-N329 VanDerWaalsContact C-N 3.32Å; E327-N329 PolarHBondContact O-N 3.25Å; N329-S331 VanDerWaalsContact C-N 3.34Å; N329-S331 PolarHBondContact O-N 3.39Å; N329-W332 PolarHBondContact O-N 3.19Å
330A66.9Low66.5Low41 Ų4199.1 Ų99.134%0.33950%0.496SS..Hα-helixtrans-61.8-39.3175.500000112.4I326 E327 K328 W332 T333 D334I326-A330 PolarHBondContact O-N 3.29Å; E327-A330 PolarHBondContact O-N 3.2Å; K328-A330 PolarHBondContact O-N 3.02Å; A330-W332 PolarHBondContact O-N 3.35Å; A330-T333 PolarHBondContact O-N 2.98Å; A330-T333 PolarHBondContact O-OG1 3.32Å; A330-D334 PolarHBondContact O-N 2.75Å
331S56.4Low63.4Low52 Ų52103.1 Ų103.136%0.36453%0.529SS..Hα-helixtrans-65.8-20.7177.5770000114.6E327 K328 N329 R335E327-S331 PolarHBondContact O-N 2.76Å; K328-S331 PolarHBondContact O-N 3.38Å; K328-S331 PolarHBondContact O-OG 3.43Å; N329-S331 VanDerWaalsContact C-N 3.34Å; N329-S331 PolarHBondContact O-N 3.39Å; S331-R335 WeakPolarHBondContact O-CG 3.42Å
332W46.3Very low60.5Low180 Ų180101.7 Ų101.768%0.68254%0.54SS*.Hα-helixtrans-79.6-34.8174.4-74.8105.7000112.4K328 N329 A330 S336K328-W332 PolarHBondContact O-N 2.83Å; N329-W332 PolarHBondContact O-N 3.19Å; A330-W332 PolarHBondContact O-N 3.35Å; W332-S336 PolarHBondContact O-OG 2.79Å
333T47.5Very low57.2Low111 Ų111102.7 Ų102.768%0.68156%0.562SS**Hα-helixtrans-66.6-35.7178.133.50000112.8A330A330-T333 PolarHBondContact O-N 2.98Å; A330-T333 PolarHBondContact O-OG1 3.32Å
334D43.6Very low54Low149 Ų149111 Ų11180%0.79760%0.601SS**Hα-helixtrans-76.8-28-179.2-160.846.7000113.2A330 S336A330-D334 PolarHBondContact O-N 2.75Å; D334-S336 VanDerWaalsContact C-N 3.31Å; D334-S336 PolarHBondContact O-N 3.3Å
335R41.3Very low51Low208 Ų208117 Ų11779%0.78563%0.631SS**THydrogen-bonded Turntrans-82.94.4-179-74.7-178.7170.9-173.1-1.6115.5S331S331-R335 WeakPolarHBondContact O-CG 3.42Å
336S37.1Very low48Very low87 Ų87121.2 Ų121.261%0.60865%0.648SS**  trans-100.120.2-164.7-68.10000115.9W332 D334W332-S336 PolarHBondContact O-OG 2.79Å; D334-S336 VanDerWaalsContact C-N 3.31Å; D334-S336 PolarHBondContact O-N 3.3Å
337I48.1Very low45.1Very low166 Ų166125.5 Ų125.585%0.85167%0.669SS**  trans-132.268.5172.6-48.6-176000111.5
338E34.7Very low42.2Very low172 Ų172133.5 Ų133.580%0.80470%0.704SS**  trans-151.7147.6165.6-92.3-128.6110.500110.1
339V33.9Very low39.6Very low103 Ų103133.1 Ų133.162%0.62471%0.712SS**  cis-160.7158.2-21.678.10000109.9
340L31.7Very low37.1Very low170 Ų170137.6 Ų137.689%0.8973%0.727SS**  trans65.3156.8170.5-72.4167.7000118.4
341A27.9Very low35.7Very low89 Ų89140.8 Ų140.874%0.73674%0.744SS**  trans-115.5161.5175.200000110.3
342P34.6Very low34.2Very low122 Ų122144 Ų14479%0.79276%0.762SS**  -152.6160.1109.539.1-22.9000117.4
343A28.2Very low33.4Very low89 Ų89141.9 Ų141.974%0.73677%0.769SS**  trans62.4145.314300000123.6
344E28.5Very low32.4Very low176 Ų176143.6 Ų143.682%0.82277%0.773SS**  trans-66.1167.9172.3-5493.6113.200113.5
345E30.6Very low31.5Very low183 Ų183145 Ų14586%0.85577%0.772SS**  cis-140.2-172.712.3-137.7169.8-163.200107.4
346D29.8Very low30.7Very low136 Ų136139.9 Ų139.973%0.72777%0.768SS**  cis-151178.616.3173.140000110.7
347I31.5Very low30.7Very low139 Ų139147.7 Ų147.771%0.71378%0.784SS**  trans-96131-164.8-62.6158.6000113.5
348K26.7Very low29.6Very low196 Ų196145.3 Ų145.385%0.85278%0.783SS**  trans-153.7102.1136.7-137.5158.1-171.1166.10117.9
349V28Very low29.4Very low124 Ų124144.9 Ų144.975%0.75278%0.778SS**  trans60.9101.2144.1-175.50000118.9
350K26.5Very low29.2Very low196 Ų196147 Ų14785%0.85278%0.781SS**  trans-74.6-176.8156.1-97.6178.7179.7174.90111.5
351P36.9Very low29.1Very low109 Ų109145.4 Ų145.471%0.70877%0.773SS**  cis-123.5-158.45.435.2-12.9000111.6
352T24.8Very low29.1Very low120 Ų120149.8 Ų149.874%0.73677%0.772SS**  cis-1591668.3-11.30000106.2
353V28.8Very low28.8Very low135 Ų135152.7 Ų152.782%0.81877%0.768SS**  cis-140.4142.75.1-161.10000109.2
354L26.6Very low28.8Very low147 Ų147151.3 Ų151.377%0.7776%0.763SS**  trans-161.4134.1155.5-141.5-179.4000106.6
355F26Very low28.9Very low179 Ų179148.4 Ų148.479%0.78576%0.762SS**  trans168.8151.2133.1-111.1-99.8000115.4
356S24.7Very low28.9Very low100 Ų100147.8 Ų147.870%0.69976%0.764SS**  trans25.2145.5150.961.80000124.8
357R35.7Very low28.9Very low250 Ų250146 Ų14694%0.94376%0.762SS**  trans-84129.9167.8172.4-168.7-166.9171.64112.9
358S25Very low28.8Very low117 Ų117148 Ų14882%0.81877%0.769SS**  trans-163.5179.1160.5600000113.6
359K30.6Very low28.8Very low162 Ų162147.2 Ų147.270%0.70477%0.768SS**  trans-119.9168.6-168.7-78.5176.7157.6-79.70110.1
360E29.4Very low28.7Very low149 Ų149146 Ų14670%0.69676%0.764SS**  cis-176.8172.7-10.7-103.5165-177.900107.2
361D31.4Very low28.8Very low136 Ų136146.4 Ų146.473%0.72776%0.76SS**  cis-158.7165.1-16.1179.540.6000108.3
362Y26.4Very low28.3Very low180 Ų180147 Ų14771%0.70676%0.757SS**  trans-164.3128.6173.8-133.9-139.1000111
363Y29.3Very low28.4Very low183 Ų183146.9 Ų146.972%0.71876%0.761SS**  cis-127.1164.98.5-75.8-98.6000110.4
364G28.8Very low28.2Very low61 Ų61149.4 Ų149.463%0.62976%0.763SS**  cis109.988.23.100000114.6
365S30.2Very low28.2Very low114 Ų114149.3 Ų149.380%0.79776%0.761SS**  trans-159.6117.5167.5-81.10000113.6
366L30Very low28.2Very low170 Ų170146.8 Ų146.889%0.8976%0.756SS**  trans64.1141.6161.3-51.4178.1000117.1
367S28.8Very low28.4Very low99 Ų99146.1 Ų146.169%0.69275%0.751SS**  cis-165.1153.9-5.741.90000110.1
368E30Very low27.9Very low181 Ų181141.4 Ų141.485%0.84674%0.743SS**  trans32.5142.2149.5-67.5166.9167.400120.9
369E26.9Very low27.8Very low179 Ų179144.1 Ų144.184%0.83674%0.741SS**  cis-159.4-16618.7-138.4-176.4173.700114
370C25.7Very low27.6Very low98 Ų98144.7 Ų144.766%0.66275%0.746SS**  trans-60.4167.7-179.2-74.10000116.7
371R28.4Very low28.3Very low205 Ų205142.2 Ų142.277%0.77474%0.743SS**  cis-170.9168.8-4.4-115.9173.7180-1703.3113.5
372D26.1Very low27.8Very low123 Ų123143.9 Ų143.966%0.65875%0.746SS**  trans58.5112.1141.1-62-11.8000123.5
373S28.1Very low27.5Very low116 Ų116141 Ų14181%0.81175%0.751SS**  137.6126.994.460.30000120.7
374H25.3Very low27.4Very low188 Ų188141.5 Ų141.587%0.8776%0.76SS**  trans74.7169.7138.2-118.6-97000125
375M26Very low27.2Very low146 Ų146147.2 Ų147.272%0.71977%0.77SS**  trans-111166.5-156.3-63.2-115.2-7300115.5
376D26.5Very low28.2Very low126 Ų126146.7 Ų146.767%0.67476%0.764SS**  108.7136.9127-116.1-46.5000122.7
377S27.7Very low28.7Very low85 Ų85144 Ų14459%0.59476%0.756SS**  trans52.6115.5143.8-75.50000125.2
378L26.2Very low28.7Very low151 Ų151146.3 Ų146.379%0.79176%0.756SS**  61.3129.6121.3-67.6165.6000123.4
379K22.7Very low28.7Very low174 Ų174141.5 Ų141.576%0.75775%0.748SS**  trans74.8120.4147.3-71.7177.8175.7-178.90121.1
380Q26.3Very low28.7Very low175 Ų175142.6 Ų142.682%0.81874%0.744SS**  35.9153.5116.2-75.4179-35.800121.6
381P43.2Very low28.8Very low97 Ų97147.5 Ų147.563%0.6375%0.75SS**  cis-143.5-166.4-18.640.3-19.5000115.1
382E20.6Very low29.4Very low171 Ų171143.1 Ų143.180%0.79975%0.749SS**  trans72.7137.1147.1-82.7165.2-148.900124.1
383C21.8Very low29.6Very low119 Ų119144.9 Ų144.980%0.80475%0.753SS**  trans56.9138.9150.5-62.50000120.5
384E25.7Very low30.2Very low193 Ų193144.6 Ų144.690%0.90275%0.748SS**  cis-144.6179.139.4-75.9-171.5136.300115.1
385E25.9Very low31.5Very low182 Ų182141 Ų14185%0.8574%0.742SS**  trans-115-164.9-179.2-66.5-165.9123.200111.9
386P50.1Low31.5Very low103 Ų103141.6 Ų141.667%0.66975%0.747SS**  -120.8-164.5-67.936.2-19.4000111
387P40.3Very low31.9Very low112 Ų112141.5 Ų141.573%0.72775%0.753SS**  -149.4144.188.636.5-18000117.3
388E28.7Very low31.7Very low148 Ų148142.7 Ų142.769%0.69276%0.761SS**  trans59.3147139.9-63.3-146.4105.100121.8R390E388-R390 IonicContact OE1-CZ 3.58Å; E388-R390 VanDerWaalsContact OE1-CZ 3.24Å; E388-R390 IonicContact OE1-NE 2.67Å; E388-R390 PolarHBondContact OE1-NE 2.87Å; E388-R390 IonicContact OE1-NH2 2.68Å; E388-R390 PolarHBondContact OE1-NH2 3.04Å
389A31.1Very low31.6Very low81 Ų81140.1 Ų140.167%0.66976%0.762SS**  cis-169.1157.9-500000109.6
390R26.3Very low31.6Very low202 Ų202136.2 Ų136.276%0.76276%0.762SS**  cis-161.3135.3-11.5-101164.8-160.3-156.97.2109.4E388E388-R390 IonicContact OE1-CZ 3.58Å; E388-R390 VanDerWaalsContact OE1-CZ 3.24Å; E388-R390 IonicContact OE1-NE 2.67Å; E388-R390 PolarHBondContact OE1-NE 2.87Å; E388-R390 IonicContact OE1-NH2 2.68Å; E388-R390 PolarHBondContact OE1-NH2 3.04Å
391Y28.8Very low31.4Very low200 Ų200134.8 Ų134.878%0.78476%0.756SS**  trans0.3173.7139.7-69.6-69.6000122.5Q393Y391-Q393 HydrophobicContact CD1-CG 4.04Å
392P39.5Very low30.4Very low114 Ų114140.2 Ų140.274%0.7476%0.763SS**  cis-126.8146.913.58.120.3000117.2
393Q31.9Very low30.4Very low159 Ų159136.6 Ų136.674%0.74376%0.757SS**  82163.579.6-73.5-166.4-19.600116.3Y391Y391-Q393 HydrophobicContact CD1-CG 4.04Å
394P38.8Very low30.5Very low110 Ų110137.6 Ų137.671%0.71476%0.76SS**  cis-138-177-40.138.9-21.5000114.2
395P54.4Low30.5Very low113 Ų113132.9 Ų132.973%0.73475%0.753SS**  trans-118.6-173.2179.542.8-32.8000116.3
396L24.7Very low30.5Very low158 Ų158135.5 Ų135.583%0.82776%0.756SS**  trans77.3157.3167.4-70.4167.8000116.6
397P34.4Very low29.5Very low125 Ų125136.3 Ų136.381%0.81276%0.759SS**  cis-132-147.42845.9-28.1000116.3
398S24Very low29Very low109 Ų109137.6 Ų137.676%0.76276%0.759SS**  trans-120.5172-156.4560000116
399A24.3Very low28.8Very low98 Ų98140 Ų14081%0.8177%0.77SS**  trans83.1167.8152.100000120.1
400A22.6Very low28.6Very low91 Ų91143.9 Ų143.975%0.75277%0.774SS**  trans80.8110.1175.300000119.6
401E21.7Very low28.5Very low146 Ų146139.7 Ų139.768%0.68277%0.771SS**  trans60.8136.5130.6-71.4-170.3-144.400124.5
402R21.9Very low28.2Very low210 Ų210137.4 Ų137.479%0.79277%0.767SS**  trans86146.8138.2-83.5-178.3-133.8-149.40.2123.4
403S22.2Very low27.5Very low95 Ų95139.1 Ų139.166%0.66477%0.769SS**  trans66.597.3140.6600000121.6
404T23.6Very low27.1Very low141 Ų141136.4 Ų136.487%0.86577%0.773SS**  32.5102.5108.861.50000119.8
405A25.6Very low26.6Very low93 Ų93135.8 Ų135.877%0.76978%0.778SS**  -170.4125.8127.600000106.4
406R26.5Very low25.3Very low238 Ų238135.9 Ų135.990%0.89878%0.781SS**  cis72.4127.234.5-146.1-170.1-159.3-1687.3113.5
407T27.3Very low25.2Very low119 Ų119133.9 Ų133.973%0.7378%0.775SS**  trans91.3135.9161.8-470000117.3
408L30.2Very low25Very low140 Ų140134.7 Ų134.773%0.73377%0.771SS**  trans-54.5158.9177.5-52.369.5000112.4
409E24.7Very low25.3Very low197 Ų197139.3 Ų139.392%0.92178%0.777SS**  -148.1143.4103.8-121.3170.4-154.500115.6
410Q27.1Very low25.4Very low163 Ų163137.6 Ų137.676%0.76277%0.769SS**  trans-63.1164.6170.4-177.2176.412.300111.6
411V23.7Very low25.6Very low114 Ų114142.5 Ų142.569%0.69177%0.774SS**  trans145.2103.9144168.50000114.3
412Q24Very low25.9Very low152 Ų152140.7 Ų140.771%0.7177%0.769SS**  trans45131.1131.1-58.4176.3-78.200124.2
413I24.4Very low26.4Very low150 Ų150136.7 Ų136.777%0.76976%0.76SS**  56.1112125.7-52.7166.2000119
414A22Very low26.6Very low102 Ų102137.8 Ų137.884%0.84377%0.767SS**  -172.4153.5114.300000111.6
415A29.7Very low26.9Very low97 Ų97139.7 Ų139.780%0.80276%0.763SS**  trans-121149.1177.700000112.4
416S25.7Very low26.9Very low116 Ų116140.3 Ų140.381%0.81177%0.768SS**  trans-171.2147.9170.7-84.50000109.9
417V24.5Very low26.9Very low116 Ų116134.3 Ų134.370%0.70377%0.77SS**  cis-155.5130.5-6.2114.20000112
418I29.8Very low26.7Very low141 Ų141132.2 Ų132.272%0.72377%0.772SS**  trans33.6116.1143.2-51.7165.2000120.7
419K28.9Very low26.6Very low206 Ų206130.6 Ų130.690%0.89677%0.772SS**  171146107.4-123.8152.3-175.9177.40112
420G27.4Very low26.6Very low62 Ų62128.2 Ų128.264%0.63976%0.761SS**  cis160.8147.5-13.500000114.5
421F26.1Very low26.6Very low194 Ų194130.2 Ų130.285%0.85176%0.762SS**  trans70.1153.2175.7-79-164.9000116.6
422N28.8Very low26.6Very low109 Ų109129.6 Ų129.658%0.58376%0.762SS**  cis-166.8179.2-22.6-107.1-4.8000109.7
423Q31.4Very low26.6Very low126 Ų126126.9 Ų126.959%0.58977%0.766SS**  cis172.6106.6-48.8-178.3-160.7138.200110.3K425Q423-K425 VanDerWaalsContact OE1-CE 3.27Å
424S27.4Very low26.6Very low117 Ų117124.8 Ų124.882%0.81877%0.765SS**  trans-154.398.6162.3560000110.5
425K30.6Very low26.8Very low182 Ų182124.2 Ų124.279%0.79176%0.76SS**  66.5106.770-80.2-166.1169.5-179.60116.1Q423Q423-K425 VanDerWaalsContact OE1-CE 3.27Å
426A24.4Very low26.6Very low105 Ų105125.4 Ų125.487%0.86875%0.753SS**  -156.2155.7125.900000108.4
427A26.2Very low26.7Very low113 Ų113127.4 Ų127.493%0.93475%0.747SS**  trans-157.1156.1-179.600000112.1
428G24.2Very low26.7Very low75 Ų75128.3 Ų128.377%0.77375%0.753SS**  trans147.7144.7170.700000112.6
429S27.1Very low26.5Very low106 Ų106126.1 Ų126.174%0.74176%0.756SS**  cis164.6103.6-34.3166.40000107.9
430E26Very low26.4Very low147 Ų147126.1 Ų126.169%0.68776%0.756SS**  trans64.5149.4149-71.1-169.2-15500123.9
431R26.4Very low27Very low204 Ų204128.9 Ų128.977%0.7776%0.763SS**  trans90.597.6144.5-84.9169.6-140.1-131.6-2.4122.8
432S24.8Very low27Very low101 Ų101126.3 Ų126.371%0.70676%0.758SS**  74.2130.111369.30000122.5
433A23.8Very low26.9Very low96 Ų96128.1 Ų128.179%0.79377%0.773SS**  trans68.8152.4146.600000118.4
434S23.4Very low26.7Very low106 Ų106129 Ų12974%0.74178%0.782SS**  cis-170.3152.7-22.751.90000110.7
435A26.5Very low26.7Very low90 Ų90130.8 Ų130.874%0.74478%0.781SS**  trans73.4135155.300000121.1
436D24.7Very low26.6Very low122 Ų122129.4 Ų129.465%0.65278%0.782SS**  trans70.6104.6137.8-82.8-2.6000123.9
437K29.2Very low26.6Very low158 Ų158128.5 Ų128.569%0.68777%0.774SS**  101.6120.5109.8-80171.4-173.9145.50122.1
438T24.3Very low26.8Very low135 Ų135129.7 Ų129.783%0.82876%0.761SS**  trans87.7144.5130.951.70000122.9
439A24.7Very low27Very low94 Ų94134 Ų13478%0.77776%0.758SS**  trans82.6103154.700000119.8
440F27.5Very low27.2Very low206 Ų206137.2 Ų137.290%0.90476%0.759SS**  trans-69.2160.6138.3-66.2-89.3000109.5
441P40.3Very low27.2Very low120 Ų120138 Ų13878%0.77977%0.767SS**  -142.8176.495.938.6-24.2000114.9
442D25.3Very low27.2Very low141 Ų141135.2 Ų135.275%0.75477%0.767SS**  trans-72159.8-174.5-44.9-97.6000115.5
443T27.8Very low27.4Very low147 Ų147133.5 Ų133.590%0.90277%0.765SS**  -170.7166.611419.10000112.9
444N26.1Very low27.6Very low145 Ų145135.5 Ų135.578%0.77576%0.762SS**  trans-108.2179.4-167.1-85.1-71.5000114.1
445L27.8Very low27.9Very low153 Ų153136.5 Ų136.580%0.80176%0.756SS**  trans86142.3160.8-45.7179.6000115.7
446L27.6Very low28Very low153 Ų153139.9 Ų139.980%0.80176%0.755SS**  cis-163.7-175.3-8.6-121.7172.1000110.7
447A26Very low28.1Very low86 Ų86140.2 Ų140.271%0.71176%0.756SS**  trans92.7135.5162.800000117.3
448E29Very low28Very low139 Ų139139 Ų13965%0.6576%0.756SS**  cis-165.4167.2-15-137.7-158155.700113.5
449K28.6Very low28.2Very low165 Ų165142 Ų14272%0.71776%0.758SS**  trans69.7153.8159.1-66.6178.1-179.384.60119.5
450K30.9Very low28.3Very low173 Ų173142.6 Ų142.675%0.75276%0.756SS**  cis-172.7174.3-40.4-127.3177.3-179.9173.60110.1
451L25.9Very low28.4Very low164 Ų164139.6 Ų139.686%0.85975%0.748SS**  trans78.2103.9179.7-54.5173.8000113.5
452L27.3Very low27.9Very low146 Ų146142.3 Ų142.376%0.76475%0.748SS**  cis89.5118.213.3-160.5155.3000117
453G28Very low28Very low65 Ų65141.9 Ų141.967%0.6775%0.746SS**  trans128.414715700000114.2
454D29.2Very low28.1Very low137 Ų137140.4 Ų140.473%0.73374%0.742SS**  cis175.3158.3-16.7-115.5-2.4000107.1
455M28.5Very low28Very low127 Ų127137.2 Ų137.263%0.62674%0.743SS**  cis-176.3179.8-7.7-158.4-165.4168.700108.9
456K30.3Very low28Very low162 Ų162138.8 Ų138.870%0.70475%0.748SS**  trans82.2145156.9-62.2139.5-172.6165.50116.9
457N25.1Very low27.9Very low128 Ų128136.9 Ų136.968%0.68475%0.748SS**  cis-159152.9-5.4-97.9-12.9000107.6
458I27.3Very low28Very low134 Ų134135.7 Ų135.769%0.68774%0.744SS**  cis118.713823.4-84.7-178.6000111.9
459K29.5Very low27.9Very low198 Ų198135.7 Ų135.786%0.86175%0.753SS**  trans81.9151.7178.7-67.3159.9179.8179.70116.5
460S27.2Very low27.8Very low106 Ų106137.1 Ų137.174%0.74176%0.76SS**  cis-152.9141.90.1-135.30000107.4
461L28.2Very low27.7Very low142 Ų142135.1 Ų135.174%0.74376%0.762SS**  cis91.2111.145.3-168.774.3000115.6
462K30.9Very low27.7Very low177 Ų177130.6 Ų130.677%0.7776%0.755SS**  trans67.5158.4159.9-77.4-179.4176.8-1690118.5
463D27.1Very low27.7Very low132 Ų132132.9 Ų132.971%0.70676%0.762SS**  cis-125.5153.511.1-84.4-54.1000111.6
464S29.1Very low27.6Very low117 Ų117134.2 Ų134.282%0.81877%0.767SS**  86.5121.157.6119.50000115.4
465G24.6Very low27.3Very low78 Ų78133.5 Ų133.580%0.80477%0.772SS**  trans172.4145.8178.100000112.5
466M27.3Very low27.3Very low185 Ų185136.8 Ų136.891%0.91178%0.783SS**  trans-120.3146-167.8-81.2-174.863.500115.5
467S26.8Very low27Very low114 Ų114136.1 Ų136.180%0.79778%0.784SS**  trans47.9116.3136.4-176.90000121.8
468G26.6Very low26.9Very low61 Ų61136.9 Ų136.963%0.62979%0.793SS**  120.4113.8112.500000120.9
469V27.4Very low26.9Very low139 Ų139135.8 Ų135.884%0.84279%0.792SS**  trans63.8120.8135.2-175.60000120.9
470F27.1Very low26.9Very low195 Ų195131.6 Ų131.686%0.85578%0.779SS**  trans29.7134.8148.2-90.5-111.4000120.4
471T28.1Very low27.2Very low131 Ų131132.1 Ų132.180%0.80478%0.78SS**  -161.9170.952.955.70000113.2
472G25.3Very low27.2Very low69 Ų69130.3 Ų130.371%0.71178%0.775SS**  trans103.196.8131.700000123.4
473Q27.3Very low27.5Very low194 Ų194129.8 Ų129.891%0.90778%0.775SS**  trans49.1108.7138-65.6-179.3-53.700124.7
474A26.4Very low28.4Very low93 Ų93133 Ų13377%0.76979%0.786SS**  45.2131.2122.900000124.9
475S23.4Very low28.5Very low121 Ų121131.7 Ų131.785%0.84678%0.782SS**  177.4115.1115.8-79.30000118
476K28.1Very low29.1Very low196 Ų196133.8 Ų133.885%0.85278%0.775SS**  trans56.992.7131.1-151174.7-170.3-179.90124.1
477M23.4Very low30.1Very low148 Ų148132 Ų13273%0.72977%0.768SS**  47.6125.1112.8-156-165.3125.900123.2
478V24.7Very low31Very low144 Ų144131 Ų13187%0.87376%0.762SS**  trans-147.2144134.2174.70000109.1
479V27Very low32.3Very low111 Ų111132.2 Ų132.267%0.67375%0.753SS**  trans-152.7142-169.3154.50000107.1
480L28.7Very low33.7Very low111 Ų111126.1 Ų126.158%0.58172%0.716SS**  cis-141.2-134.4-3.6-126.7176000106.6
481P33.8Very low35Very low116 Ų116121.9 Ų121.975%0.75370%0.702SS**  cis-133.5144.5-8.740-20.5000118.3
482T27.3Very low36.4Very low105 Ų105125 Ų12564%0.64470%0.701SS**  trans-143.3119.6146.517.20000105.8
483E38.2Very low38.2Very low165 Ų165127.4 Ų127.477%0.77170%0.697SS**  76.5143.199.5-73.1-164.7140.700115.2A485E483-A485 PolarHBondContact O-N 2.98Å
484E45.7Very low40.2Very low201 Ų201118.5 Ų118.594%0.93966%0.655SS**  trans-79.9113.6179.1-63.8172.6139.600109.2
485A31.8Very low42.4Very low89 Ų89117.8 Ų117.874%0.73664%0.643SS**  trans-113.3140178.200000110.9E483E483-A485 PolarHBondContact O-N 2.98Å
486N36.6Very low44.7Very low121 Ų121116.2 Ų116.265%0.64763%0.628SS**  trans-78.4150-176.3-70.3-70.7000111.6S488 D489N486-S488 PolarHBondContact O-N 3.38Å; N486-D489 PolarHBondContact O-N 3.33Å
487L48.1Very low46.9Very low147 Ų147111.3 Ų111.377%0.7761%0.608SS**THydrogen-bonded Turntrans-63.4-7.4179.8-65.8174.2000114.2I490L487-I490 HydrophobicContact CD2-CD1 3.9Å
488S46.2Very low49.2Very low95 Ų95107.5 Ų107.566%0.66459%0.591SS**THydrogen-bonded Turntrans-71.3-32.5176.7-49.30000113.9N486 I490N486-S488 PolarHBondContact O-N 3.38Å; S488-I490 VanDerWaalsContact C-N 3.34Å; S488-I490 PolarHBondContact O-N 2.85Å
489D53.3Low51.3Low85 Ų85110.5 Ų110.546%0.45560%0.595SS.*G310 helixtrans-85.3-6.6-167-63.2-47.3000113.8N486 D491 Y492N486-D489 PolarHBondContact O-N 3.33Å; D489-D491 VanDerWaalsContact C-N 3.29Å; D489-D491 PolarHBondContact O-N 3Å; D489-Y492 PolarHBondContact O-N 3.09Å
490I57Low53Low11 Ų11110.5 Ų110.56%0.05660%0.596CS.*G310 helixtrans-64.9-31.4-171.8-54.8177.3000112.2L487 S488 Y492 L493 V513 L516 Q517 L520L487-I490 HydrophobicContact CD2-CD1 3.9Å; S488-I490 VanDerWaalsContact C-N 3.34Å; S488-I490 PolarHBondContact O-N 2.85Å; I490-Y492 VanDerWaalsContact C-N 3.26Å; I490-Y492 PolarHBondContact O-N 3.49Å; I490-L493 PolarHBondContact O-N 2.87Å; I490-L493 VanDerWaalsContact O-N 3.16Å; I490-V513 HydrophobicContact CG2-CG1 4.37Å; I490-L516 HydrophobicContact CG2-CD2 3.92Å; I490-L516 HydrophobicContact CG2-CG 4.3Å; I490-Q517 HydrophobicContact CD1-CG 3.84Å; I490-Q517 HydrophobicContact CG2-CG 4.1Å; I490-L520 HydrophobicContact CD1-CD1 4.35Å
491D53.9Low54.5Low106 Ų106107.5 Ų107.557%0.56759%0.592SS**G310 helixtrans-66.9-29.1-179.6-135.930.8000111.9D489 V513D489-D491 VanDerWaalsContact C-N 3.29Å; D489-D491 PolarHBondContact O-N 3Å; D491-V513 WeakPolarHBondContact OD1-CG2 3.1Å
492Y58.4Low56Low198 Ų198108.1 Ų108.178%0.77659%0.585SS**G310 helixtrans-78.3-18.1175.8-64-77.1000113.5D489 I490 V494D489-Y492 PolarHBondContact O-N 3.09Å; I490-Y492 VanDerWaalsContact C-N 3.26Å; I490-Y492 PolarHBondContact O-N 3.49Å; Y492-V494 VanDerWaalsContact C-N 3.32Å
493L63.6Low58.1Low119 Ų119107.9 Ų107.962%0.62359%0.585SS**G310 helixtrans-80-11.6178.7-62176.4000113.3I490 P495 L516I490-L493 PolarHBondContact O-N 2.87Å; I490-L493 VanDerWaalsContact O-N 3.16Å; L493-P495 WeakPolarHBondContact O-CD 3.38Å; L493-L516 HydrophobicContact CB-CD2 4.37Å
494V68.6Low59.7Low6 Ų6101.9 Ų101.94%0.03656%0.558CS.*SBendtrans-94.2109.8-178.61760000110.5Y492 R509 M512 V513 L516Y492-V494 VanDerWaalsContact C-N 3.32Å; V494-R509 HydrophobicContact CG1-CB 4.36Å; V494-R509 PolarHBondContact O-NH1 3.16Å; V494-M512 HydrophobicContact CG1-CB 3.86Å; V494-M512 HydrophobicContact CG1-CE 4.26Å; V494-M512 HydrophobicContact CG1-SD 4.41Å; V494-M512 HydrophobicContact CG2-CB 4.45Å; V494-V513 HydrophobicContact CB-CG2 4.03Å; V494-V513 HydrophobicContact CG1-CG2 4.39Å; V494-V513 HydrophobicContact CG2-CB 4.44Å; V494-V513 HydrophobicContact CG2-CG2 3.57Å; V494-L516 HydrophobicContact CG2-CD2 4.32Å
495P72.3Confident61Low78 Ų7894.8 Ų94.851%0.50653%0.534SS..  trans-51.8135.3-160.9-32.136.1000116.5L493 H497 R509L493-P495 WeakPolarHBondContact O-CD 3.38Å; P495-H497 VanDerWaalsContact C-N 3.31Å; P495-H497 PolarHBondContact O-N 3.01Å; P495-R509 VanDerWaalsContact O-CZ 3.27Å; P495-R509 PolarHBondContact O-NH1 3.31Å; P495-R509 PolarHBondContact O-NH2 2.69Å
496T70.9Confident63.1Low89 Ų8996.8 Ų96.855%0.54653%0.528SS..SBendtrans-43.5-44.8175.4145.20000116.2R509T496-R509 PolarHBondContact O-NH2 2.9Å
497H76.3Confident64.7Low92 Ų9299.7 Ų99.743%0.42653%0.53SS..BIsolated β-bridgetrans-145.2163.6-166.9-63.873.9000108.8P495 G501 Q502 P503P495-H497 VanDerWaalsContact C-N 3.31Å; P495-H497 PolarHBondContact O-N 3.01Å; H497-G501 PolarHBondContact CD2-O 3.22Å; H497-G501 VanDerWaalsContact CD2-O 3.27Å; H497-Q502 CarbonylContact C-O 3.48Å; H497-Q502 WeakPolarHBondContact CA-O 3.39Å; H497-Q502 WeakPolarHBondContact CB-O 3.43Å; H497-P503 VanDerWaalsContact CD2-CA 3.46Å; H497-P503 WeakPolarHBondContact CD2-CA 3.47Å
498D70.6Confident65.5Low68 Ų6897.8 Ų97.836%0.36452%0.515SS..  trans-75.7175.8170.868.529.8000112.1T500 G501 Q502 I504D498-T500 PolarHBondContact O-N 3.03Å; D498-T500 WeakPolarHBondContact OD1-CA 3.38Å; D498-T500 WeakPolarHBondContact OD1-CB 3.29Å; D498-T500 PolarHBondContact OD1-N 3.48Å; D498-T500 PolarHBondContact OD1-OG1 3.34Å; D498-G501 PolarHBondContact O-N 2.81Å; D498-G501 PolarHBondContact OD1-N 3.03Å; D498-G501 VanDerWaalsContact OD1-N 3.15Å; D498-Q502 PolarHBondContact N-O 3.2Å; D498-Q502 PolarHBondContact OD1-N 2.9Å; D498-I504 HydrophobicContact CB-CD1 4.36Å; D498-I504 HydrophobicContact CB-CG1 4.14Å
499E69.4Low67.1Low207 Ų20795.2 Ų95.297%0.96749%0.491SS*.THydrogen-bonded Turntrans-64-9.7-178.4-64.2171.7-145.600113.7
500T62.2Low67.9Low111 Ų11194.7 Ų94.768%0.68149%0.486SS*.THydrogen-bonded Turntrans-101.7-0.3172.372.10000113.4D498D498-T500 PolarHBondContact O-N 3.03Å; D498-T500 WeakPolarHBondContact OD1-CA 3.38Å; D498-T500 WeakPolarHBondContact OD1-CB 3.29Å; D498-T500 PolarHBondContact OD1-N 3.48Å; D498-T500 PolarHBondContact OD1-OG1 3.34Å
501G61.1Low68.6Low49 Ų4997.7 Ų97.751%0.50551%0.505SS..SBendtrans86.714.3179.200000115H497 D498H497-G501 PolarHBondContact CD2-O 3.22Å; H497-G501 VanDerWaalsContact CD2-O 3.27Å; D498-G501 PolarHBondContact O-N 2.81Å; D498-G501 PolarHBondContact OD1-N 3.03Å; D498-G501 VanDerWaalsContact OD1-N 3.15Å
502Q64.8Low69.2Low129 Ų12996.5 Ų96.560%0.60350%0.497SS*.PPolyproline II helixtrans-90.6141.2176.4-59.8-16623.800112.1H497 D498 I504H497-Q502 CarbonylContact C-O 3.48Å; H497-Q502 WeakPolarHBondContact CA-O 3.39Å; H497-Q502 WeakPolarHBondContact CB-O 3.43Å; D498-Q502 PolarHBondContact N-O 3.2Å; D498-Q502 PolarHBondContact OD1-N 2.9Å; Q502-I504 PolarHBondContact O-N 3.49Å
503P70.9Confident69.9Low100 Ų10087.5 Ų87.565%0.64946%0.462SS*.BIsolated β-bridgetrans-70.4120.5-173.726-33.6000111.7H497 A505H497-P503 VanDerWaalsContact CD2-CA 3.46Å; H497-P503 WeakPolarHBondContact CD2-CA 3.47Å; P503-A505 PolarHBondContact O-N 3.35Å
504I71.7Confident70.2Confident38 Ų3888.9 Ų88.920%0.19546%0.459CS..PPolyproline II helixtrans-71.7125.8179.4-57.2165.6000109.7D498 Q502 K508 R509D498-I504 HydrophobicContact CB-CD1 4.36Å; D498-I504 HydrophobicContact CB-CG1 4.14Å; Q502-I504 PolarHBondContact O-N 3.49Å; I504-K508 HydrophobicContact CG2-CB 4.12Å; I504-K508 HydrophobicContact CG2-CD 3.99Å; I504-K508 HydrophobicContact CG2-CG 4.25Å; I504-R509 PolarHBondContact O-NE 3.47Å; I504-R509 PolarHBondContact O-NH2 3.49Å
505A73.5Confident70.4Confident53 Ų5394.5 Ų94.544%0.43849%0.485SS..PPolyproline II helixtrans-54.6137.2-17800000113.2P503 W507 K508 R509P503-A505 PolarHBondContact O-N 3.35Å; A505-W507 PolarHBondContact O-N 2.99Å; A505-K508 WeakPolarHBondContact O-CB 3.39Å; A505-K508 PolarHBondContact O-N 3.07Å; A505-R509 PolarHBondContact O-N 2.69Å
506E75.3Confident70Confident130 Ų13093.5 Ų93.561%0.60748%0.475SS*.Hα-helixtrans-56.1-44.8-165.8-160.3-159.4141.700114.3K508 R509 Q510E506-K508 PolarHBondContact O-N 3.48Å; E506-K508 VanDerWaalsContact O-N 3.16Å; E506-R509 WeakPolarHBondContact O-CA 3.25Å; E506-R509 WeakPolarHBondContact O-CB 3.37Å; E506-R509 PolarHBondContact O-N 3.45Å; E506-Q510 PolarHBondContact O-N 2.94Å; E506-Q510 PolarHBondContact OE1-NE2 3.32Å
507W70.8Confident69.8Low182 Ų18292.9 Ų92.969%0.68947%0.466SS*.Hα-helixtrans-57.3-34.1178.770.3-95000112.6A505 Q510 V511A505-W507 PolarHBondContact O-N 2.99Å; W507-Q510 PolarHBondContact O-N 3.06Å; W507-V511 WeakPolarHBondContact O-CG2 3.41Å; W507-V511 PolarHBondContact O-N 2.86Å; W507-V511 VanDerWaalsContact O-N 3.15Å
508K65Low69.4Low108 Ų10890.8 Ų90.847%0.4747%0.465SS..Hα-helixtrans-73.2-32.3177.4-168.9177.5176.2-171.80111.1I504 A505 E506 M512I504-K508 HydrophobicContact CG2-CB 4.12Å; I504-K508 HydrophobicContact CG2-CD 3.99Å; I504-K508 HydrophobicContact CG2-CG 4.25Å; A505-K508 WeakPolarHBondContact O-CB 3.39Å; A505-K508 PolarHBondContact O-N 3.07Å; E506-K508 PolarHBondContact O-N 3.48Å; E506-K508 VanDerWaalsContact O-N 3.16Å; K508-M512 WeakPolarHBondContact O-CG 3.41Å; K508-M512 PolarHBondContact O-N 3.49Å; K508-M512 VanDerWaalsContact O-N 3.13Å
509R79.3Confident69.3Low40 Ų4096.1 Ų96.115%0.15148%0.48CS..Hα-helixtrans-59.7-56.6168.7-47.7-175.4150.4-65.1-33.6110.5V494 P495 T496 I504 A505 E506 V511 M512 V513V494-R509 HydrophobicContact CG1-CB 4.36Å; V494-R509 PolarHBondContact O-NH1 3.16Å; P495-R509 VanDerWaalsContact O-CZ 3.27Å; P495-R509 PolarHBondContact O-NH1 3.31Å; P495-R509 PolarHBondContact O-NH2 2.69Å; T496-R509 PolarHBondContact O-NH2 2.9Å; I504-R509 PolarHBondContact O-NE 3.47Å; I504-R509 PolarHBondContact O-NH2 3.49Å; A505-R509 PolarHBondContact O-N 2.69Å; E506-R509 WeakPolarHBondContact O-CA 3.25Å; E506-R509 WeakPolarHBondContact O-CB 3.37Å; E506-R509 PolarHBondContact O-N 3.45Å; R509-V511 PolarHBondContact O-N 3.15Å; R509-V511 VanDerWaalsContact O-N 3.13Å; R509-M512 CarbonylContact O-C 3.59Å; R509-M512 WeakPolarHBondContact O-CA 3.42Å; R509-M512 WeakPolarHBondContact O-CB 3.41Å; R509-M512 PolarHBondContact O-N 3.48Å; R509-V513 VanDerWaalsContact O-CG2 3.3Å; R509-V513 WeakPolarHBondContact O-CG2 3.41Å; R509-V513 PolarHBondContact O-N 3.22Å
510Q70Confident69.1Low74 Ų7490 Ų9035%0.34645%0.453SS..Hα-helixtrans-63.6-23.9-174.5-58-174.710.100112.9E506 W507 R514E506-Q510 PolarHBondContact O-N 2.94Å; E506-Q510 PolarHBondContact OE1-NE2 3.32Å; W507-Q510 PolarHBondContact O-N 3.06Å; Q510-R514 VanDerWaalsContact O-CG 3.31Å; Q510-R514 WeakPolarHBondContact O-CG 3.45Å; Q510-R514 PolarHBondContact O-N 3.18Å; Q510-R514 PolarHBondContact O-NH1 3.32Å
511V71.7Confident69.1Low75 Ų7590.3 Ų90.346%0.45545%0.45SS..Hα-helixtrans-72-47.6168.5169.90000110.9W507 R509 V513 R514 Q515W507-V511 WeakPolarHBondContact O-CG2 3.41Å; W507-V511 PolarHBondContact O-N 2.86Å; W507-V511 VanDerWaalsContact O-N 3.15Å; R509-V511 PolarHBondContact O-N 3.15Å; R509-V511 VanDerWaalsContact O-N 3.13Å; V511-V513 VanDerWaalsContact C-N 3.34Å; V511-V513 PolarHBondContact O-N 2.85Å; V511-R514 PolarHBondContact O-N 2.89Å; V511-Q515 WeakPolarHBondContact O-CB 3.33Å; V511-Q515 PolarHBondContact O-N 3.38Å
512M67.8Low69.3Low80 Ų8093.6 Ų93.639%0.39446%0.456SS..Hα-helixtrans-61.4-38.4176.3-69.8172.467.200112.8V494 K508 R509 Q515 L516V494-M512 HydrophobicContact CG1-CB 3.86Å; V494-M512 HydrophobicContact CG1-CE 4.26Å; V494-M512 HydrophobicContact CG1-SD 4.41Å; V494-M512 HydrophobicContact CG2-CB 4.45Å; K508-M512 WeakPolarHBondContact O-CG 3.41Å; K508-M512 PolarHBondContact O-N 3.49Å; K508-M512 VanDerWaalsContact O-N 3.13Å; R509-M512 CarbonylContact O-C 3.59Å; R509-M512 WeakPolarHBondContact O-CA 3.42Å; R509-M512 WeakPolarHBondContact O-CB 3.41Å; R509-M512 PolarHBondContact O-N 3.48Å; M512-Q515 PolarHBondContact O-N 3.44Å; M512-L516 WeakPolarHBondContact O-CB 3.37Å; M512-L516 PolarHBondContact O-N 3.43Å
513V73Confident69.2Low9 Ų993.6 Ų93.66%0.05546%0.456CS..Hα-helixtrans-61-50.5175.3174.90000110.8I490 D491 V494 R509 V511 Q515 L516 Q517I490-V513 HydrophobicContact CG2-CG1 4.37Å; D491-V513 WeakPolarHBondContact OD1-CG2 3.1Å; V494-V513 HydrophobicContact CB-CG2 4.03Å; V494-V513 HydrophobicContact CG1-CG2 4.39Å; V494-V513 HydrophobicContact CG2-CB 4.44Å; V494-V513 HydrophobicContact CG2-CG2 3.57Å; R509-V513 VanDerWaalsContact O-CG2 3.3Å; R509-V513 WeakPolarHBondContact O-CG2 3.41Å; R509-V513 PolarHBondContact O-N 3.22Å; V511-V513 VanDerWaalsContact C-N 3.34Å; V511-V513 PolarHBondContact O-N 2.85Å; V513-Q515 VanDerWaalsContact C-N 3.33Å; V513-Q515 PolarHBondContact O-N 3.17Å; V513-L516 PolarHBondContact O-N 3.47Å; V513-Q517 WeakPolarHBondContact O-CG 3.25Å; V513-Q517 PolarHBondContact O-N 2.82Å
514R68.6Low68.4Low149 Ų14991.5 Ų91.556%0.56244%0.438SS*.Hα-helixtrans-63.8-37177.1-70.8177.3-176.9103.4-2.5112.3Q510 V511 L516 A518Q510-R514 VanDerWaalsContact O-CG 3.31Å; Q510-R514 WeakPolarHBondContact O-CG 3.45Å; Q510-R514 PolarHBondContact O-N 3.18Å; Q510-R514 PolarHBondContact O-NH1 3.32Å; V511-R514 PolarHBondContact O-N 2.89Å; R514-L516 VanDerWaalsContact C-N 3.34Å; R514-A518 WeakPolarHBondContact O-CB 3.31Å; R514-A518 PolarHBondContact O-N 3.16Å
515Q72.7Confident67.5Low123 Ų12393 Ų9358%0.57545%0.446SS*.Hα-helixtrans-65.1-36.6175.2-164.291.562.200112.1V511 M512 V513 R519V511-Q515 WeakPolarHBondContact O-CB 3.33Å; V511-Q515 PolarHBondContact O-N 3.38Å; M512-Q515 PolarHBondContact O-N 3.44Å; V513-Q515 VanDerWaalsContact C-N 3.33Å; V513-Q515 PolarHBondContact O-N 3.17Å; Q515-R519 PolarHBondContact O-N 3.33Å
516L65.3Low66.4Low58 Ų5894.5 Ų94.530%0.30444%0.444SS..Hα-helixtrans-73.2-44.4177.1-17560.7000111.5I490 L493 V494 M512 V513 R514 A518 R519 L520I490-L516 HydrophobicContact CG2-CD2 3.92Å; I490-L516 HydrophobicContact CG2-CG 4.3Å; L493-L516 HydrophobicContact CB-CD2 4.37Å; V494-L516 HydrophobicContact CG2-CD2 4.32Å; M512-L516 WeakPolarHBondContact O-CB 3.37Å; M512-L516 PolarHBondContact O-N 3.43Å; V513-L516 PolarHBondContact O-N 3.47Å; R514-L516 VanDerWaalsContact C-N 3.34Å; L516-A518 PolarHBondContact O-N 3.38Å; L516-R519 PolarHBondContact O-N 3.08Å; L516-L520 HydrophobicContact CG-CD1 4.34Å; L516-L520 WeakPolarHBondContact O-CG 3.17Å; L516-L520 PolarHBondContact O-N 3.38Å
517Q65.2Low65Low76 Ų7694.4 Ų94.436%0.35544%0.438SS..Hα-helixtrans-56.4-46.2173.5-74.6172.4-24.300112I490 V513 R519 L520 L521I490-Q517 HydrophobicContact CD1-CG 3.84Å; I490-Q517 HydrophobicContact CG2-CG 4.1Å; V513-Q517 WeakPolarHBondContact O-CG 3.25Å; V513-Q517 PolarHBondContact O-N 2.82Å; Q517-R519 PolarHBondContact O-N 3.34Å; Q517-L520 PolarHBondContact O-N 3.14Å; Q517-L521 PolarHBondContact O-N 3.22Å
518A67.7Low63.9Low48 Ų4893 Ų9340%0.39743%0.433SS..Hα-helixtrans-60-45.3177.700000112.3R514 L516 L520 L521 D522R514-A518 WeakPolarHBondContact O-CB 3.31Å; R514-A518 PolarHBondContact O-N 3.16Å; L516-A518 PolarHBondContact O-N 3.38Å; A518-L520 PolarHBondContact O-N 2.91Å; A518-L521 PolarHBondContact O-N 2.89Å; A518-D522 PolarHBondContact O-N 2.97Å; A518-D522 VanDerWaalsContact O-N 3.09Å
519R68.9Low63.2Low179 Ų17994.6 Ų94.668%0.67544%0.44SS*.Hα-helixtrans-63.4-40.1177.9-80.4-171.9172-170.7-1.2113.4Q515 L516 Q517 L521 D522 E523Q515-R519 PolarHBondContact O-N 3.33Å; L516-R519 PolarHBondContact O-N 3.08Å; Q517-R519 PolarHBondContact O-N 3.34Å; R519-L521 VanDerWaalsContact C-N 3.28Å; R519-L521 PolarHBondContact O-N 3.29Å; R519-D522 PolarHBondContact O-N 3.31Å; R519-E523 VanDerWaalsContact O-CB 3.27Å; R519-E523 WeakPolarHBondContact O-CB 3.47Å; R519-E523 PolarHBondContact O-N 2.93Å
520L66.4Low61.3Low79 Ų7999 Ų9941%0.41446%0.462SS..Hα-helixtrans-65.8-32.1178.7-70.7170.2000112.2I490 L516 Q517 A518 E524I490-L520 HydrophobicContact CD1-CD1 4.35Å; L516-L520 HydrophobicContact CG-CD1 4.34Å; L516-L520 WeakPolarHBondContact O-CG 3.17Å; L516-L520 PolarHBondContact O-N 3.38Å; Q517-L520 PolarHBondContact O-N 3.14Å; A518-L520 PolarHBondContact O-N 2.91Å; L520-E524 VanDerWaalsContact O-CB 3.26Å; L520-E524 WeakPolarHBondContact O-CB 3.5Å; L520-E524 PolarHBondContact O-N 3.47Å
521L62.4Low59.5Low117 Ų117100.1 Ų100.161%0.61348%0.478SS*.Hα-helixtrans-68.2-47.8171.4-96.1134.6000112.2Q517 A518 R519 E523 E524 D525Q517-L521 PolarHBondContact O-N 3.22Å; A518-L521 PolarHBondContact O-N 2.89Å; R519-L521 VanDerWaalsContact C-N 3.28Å; R519-L521 PolarHBondContact O-N 3.29Å; L521-E523 VanDerWaalsContact C-N 3.3Å; L521-E523 PolarHBondContact O-N 2.91Å; L521-E524 PolarHBondContact O-N 2.8Å; L521-D525 PolarHBondContact O-N 3.05Å
522D64.8Low58.3Low119 Ų11999.9 Ų99.964%0.63649%0.491SS*.Hα-helixtrans-59.5-40.9176.2-74.3-30.1000111.9A518 R519 Q526A518-D522 PolarHBondContact O-N 2.97Å; A518-D522 VanDerWaalsContact O-N 3.09Å; R519-D522 PolarHBondContact O-N 3.31Å; D522-Q526 WeakPolarHBondContact O-CB 3.14Å; D522-Q526 PolarHBondContact O-N 3.09Å
523E61.4Low56.7Low128 Ų128100.3 Ų100.360%0.59850%0.502SS*.Hα-helixtrans-71.4-36.7-179-167.5161.4-140.900112.1R519 L521 Q526 R527R519-E523 VanDerWaalsContact O-CB 3.27Å; R519-E523 WeakPolarHBondContact O-CB 3.47Å; R519-E523 PolarHBondContact O-N 2.93Å; L521-E523 VanDerWaalsContact C-N 3.3Å; L521-E523 PolarHBondContact O-N 2.91Å; E523-Q526 WeakPolarHBondContact O-CB 3.49Å; E523-Q526 PolarHBondContact O-N 3.19Å; E523-R527 WeakPolarHBondContact O-CG 3.32Å; E523-R527 PolarHBondContact O-N 3.38Å
524E55.9Low54.8Low56 Ų56110.3 Ų110.326%0.26254%0.539SS..Hα-helixtrans-68.1-41.5173.4172.458.9-165.300112.5L520 L521 Q526 R527 R528L520-E524 VanDerWaalsContact O-CB 3.26Å; L520-E524 WeakPolarHBondContact O-CB 3.5Å; L520-E524 PolarHBondContact O-N 3.47Å; L521-E524 PolarHBondContact O-N 2.8Å; E524-Q526 PolarHBondContact O-N 2.94Å; E524-R527 WeakPolarHBondContact O-CB 3.45Å; E524-R527 PolarHBondContact O-N 3.16Å; E524-R527 IonicContact OE2-CZ 3.78Å; E524-R527 VanDerWaalsContact OE2-CZ 3.24Å; E524-R527 IonicContact OE2-NE 2.69Å; E524-R527 PolarHBondContact OE2-NE 2.86Å; E524-R527 IonicContact OE2-NH2 3.07Å; E524-R527 PolarHBondContact OE2-NH2 2.86Å; E524-R528 WeakPolarHBondContact O-CG 3.27Å; E524-R528 PolarHBondContact O-N 2.93Å; E524-R528 VanDerWaalsContact O-N 3.1Å; E524-R528 IonicContact OE1-CZ 3.91Å; E524-R528 VanDerWaalsContact OE1-CZ 3.31Å; E524-R528 IonicContact OE1-NE 3.78Å; E524-R528 PolarHBondContact OE1-NE 3.45Å; E524-R528 IonicContact OE1-NH2 2.72Å; E524-R528 PolarHBondContact OE1-NH2 2.87Å
525D52.8Low53Low71 Ų71114.4 Ų114.438%0.3856%0.556SS.*Hα-helixtrans-69.3-19.7171.8-93-6.3000113L521 R528 K529L521-D525 PolarHBondContact O-N 3.05Å; D525-R528 WeakPolarHBondContact OD1-CD 3.34Å; D525-R528 IonicContact OD1-CZ 2.88Å; D525-R528 IonicContact OD1-NE 2.7Å; D525-R528 IonicContact OD1-NH1 2.66Å; D525-R528 PolarHBondContact OD1-NH1 2.97Å; D525-K529 WeakPolarHBondContact O-CD 3.48Å; D525-K529 WeakPolarHBondContact O-CG 3.3Å
526Q50.1Low51.3Low83 Ų83113.4 Ų113.439%0.38857%0.568SS.*Hα-helixtrans-76.1-41.1167.9-168.363.415.100111.4D522 E523 E524 R528 K529 E530D522-Q526 WeakPolarHBondContact O-CB 3.14Å; D522-Q526 PolarHBondContact O-N 3.09Å; E523-Q526 WeakPolarHBondContact O-CB 3.49Å; E523-Q526 PolarHBondContact O-N 3.19Å; E524-Q526 PolarHBondContact O-N 2.94Å; Q526-R528 PolarHBondContact O-N 3.46Å; Q526-K529 PolarHBondContact O-N 3.29Å; Q526-E530 WeakPolarHBondContact CG-OE1 3.49Å; Q526-E530 PolarHBondContact NE2-OE1 3.3Å; Q526-E530 PolarHBondContact O-N 3.22Å
527R45.2Very low50.1Low129 Ų129119.9 Ų119.949%0.48759%0.594SS.*Hα-helixtrans-57.6-35.4172.1-65.3-156.7-62.4-170.3-0.2112.6E523 E524 E530 S531E523-R527 WeakPolarHBondContact O-CG 3.32Å; E523-R527 PolarHBondContact O-N 3.38Å; E524-R527 WeakPolarHBondContact O-CB 3.45Å; E524-R527 PolarHBondContact O-N 3.16Å; E524-R527 IonicContact OE2-CZ 3.78Å; E524-R527 VanDerWaalsContact OE2-CZ 3.24Å; E524-R527 IonicContact OE2-NE 2.69Å; E524-R527 PolarHBondContact OE2-NE 2.86Å; E524-R527 IonicContact OE2-NH2 3.07Å; E524-R527 PolarHBondContact OE2-NH2 2.86Å; R527-E530 PolarHBondContact O-N 3.3Å; R527-S531 WeakPolarHBondContact O-CB 3.34Å; R527-S531 PolarHBondContact O-N 2.77Å; R527-S531 PolarHBondContact O-OG 2.82Å
528R47.3Very low49.1Very low152 Ų152120.6 Ų120.657%0.57460%0.604SS**Hα-helixtrans-66.1-33.6175.2-69.6170.8-1671551.3113.3E524 D525 Q526E524-R528 WeakPolarHBondContact O-CG 3.27Å; E524-R528 PolarHBondContact O-N 2.93Å; E524-R528 VanDerWaalsContact O-N 3.1Å; E524-R528 IonicContact OE1-CZ 3.91Å; E524-R528 VanDerWaalsContact OE1-CZ 3.31Å; E524-R528 IonicContact OE1-NE 3.78Å; E524-R528 PolarHBondContact OE1-NE 3.45Å; E524-R528 IonicContact OE1-NH2 2.72Å; E524-R528 PolarHBondContact OE1-NH2 2.87Å; D525-R528 WeakPolarHBondContact OD1-CD 3.34Å; D525-R528 IonicContact OD1-CZ 2.88Å; D525-R528 IonicContact OD1-NE 2.7Å; D525-R528 IonicContact OD1-NH1 2.66Å; D525-R528 PolarHBondContact OD1-NH1 2.97Å; Q526-R528 PolarHBondContact O-N 3.46Å
529K51.1Low48Very low141 Ų141121.3 Ų121.361%0.61361%0.606SS**Hα-helixtrans-76.1-36.4174.3-67.1160.5-168.8142.80111.9D525 Q526D525-K529 WeakPolarHBondContact O-CD 3.48Å; D525-K529 WeakPolarHBondContact O-CG 3.3Å; Q526-K529 PolarHBondContact O-N 3.29Å
530E39.2Very low47.6Very low133 Ų133117 Ų11762%0.62159%0.589SS**Hα-helixtrans-84.2-19.9-174.7-69.3-179.5-169.400114.1Q526 R527 G532Q526-E530 WeakPolarHBondContact CG-OE1 3.49Å; Q526-E530 PolarHBondContact NE2-OE1 3.3Å; Q526-E530 PolarHBondContact O-N 3.22Å; R527-E530 PolarHBondContact O-N 3.3Å; E530-G532 PolarHBondContact O-N 3.18Å
531S33Very low47.1Very low97 Ų97121.8 Ų121.868%0.67860%0.602SS**THydrogen-bonded Turntrans-68.10.5172.7-60.60000114.1R527 S533R527-S531 WeakPolarHBondContact O-CB 3.34Å; R527-S531 PolarHBondContact O-N 2.77Å; R527-S531 PolarHBondContact O-OG 2.82Å; S531-S533 PolarHBondContact O-N 3.07Å
532G45.7Very low47.1Very low71 Ų71122.7 Ų122.773%0.73260%0.598SS**  trans-72.231.5-178.700000116.6E530E530-G532 PolarHBondContact O-N 3.18Å
533S34.7Very low46.8Very low89 Ų89118.3 Ų118.362%0.62258%0.577SS**SBendtrans-158.4129.2170.8-1550000115S531S531-S533 PolarHBondContact O-N 3.07Å
534R32.5Very low46.2Very low219 Ų219120.4 Ų120.483%0.82659%0.587SS**SBendtrans61.473.5165.9-59.4178.7-64.5172.72.4117.2
535Y31.4Very low46Very low234 Ų234122.2 Ų122.292%0.91861%0.611SS**  -151.1136102.3-102.3-77.9000108.7K537Y535-K537 PolarHBondContact O-N 3.33Å
536A35.9Very low45.7Very low102 Ų102125.1 Ų125.184%0.84362%0.622SS**  trans-78.185.8-173.200000111.3V538A536-V538 PolarHBondContact O-N 3.43Å
537K39.9Very low46.3Very low195 Ų195127 Ų12785%0.84864%0.635SS**  trans-66.3119.7168.9-173.1172.9-178.4177.70108.7Y535 S539Y535-K537 PolarHBondContact O-N 3.33Å; K537-S539 PolarHBondContact O-N 3.14Å; K537-S539 VanDerWaalsContact O-N 3.08Å
538V44.1Very low47.2Very low91 Ų91122.1 Ų122.155%0.55262%0.622SS**  trans-52.3114.5179.9176.60000109.7A536 P552A536-V538 PolarHBondContact O-N 3.43Å; V538-P552 HydrophobicContact CG1-CG 4.15Å
539S46.3Very low47.9Very low63 Ų63118.5 Ų118.544%0.44161%0.613SS.*  trans-11390.7179.5176.30000108.3K537K537-S539 PolarHBondContact O-N 3.14Å; K537-S539 VanDerWaalsContact O-N 3.08Å
540W58.6Low48.4Very low87 Ų87113.2 Ų113.233%0.3359%0.592SS.*  trans-52.7141.3163.1-66.297.1000110.2I549 L550 G551 L557 D561W540-I549 HydrophobicContact CB-CG2 3.78Å; W540-I549 HydrophobicContact CE3-CG2 4.05Å; W540-I549 HydrophobicContact CG-CG2 4.46Å; W540-L550 CarbonylContact C-O 3.54Å; W540-L550 WeakPolarHBondContact CA-O 3.33Å; W540-G551 VanDerWaalsContact CE3-CA 3.46Å; W540-L557 HydrophobicContact CD2-CD1 4.38Å; W540-L557 HydrophobicContact CE3-CD1 4.05Å; W540-L557 HydrophobicContact CH2-CD1 3.66Å; W540-L557 HydrophobicContact CZ2-CD1 3.99Å; W540-L557 HydrophobicContact CZ3-CB 4.1Å; W540-L557 HydrophobicContact CZ3-CD1 3.68Å; W540-D561 HydrophobicContact CH2-CB 4.45Å
541R57.5Low49.7Very low181 Ų181107.3 Ų107.368%0.68357%0.566SS**EExtended strand (participates in β ladder)trans-137.4124.5-176.5-72.2179.1-179.9-174.5-0.1111.1S543 L550R541-S543 PolarHBondContact O-N 3.46Å; R541-L550 PolarHBondContact N-O 3.36Å; R541-L550 PolarHBondContact O-N 3.33Å
542Y62Low50.5Low135 Ų135106.1 Ų106.153%0.52956%0.556SS.*EExtended strand (participates in β ladder)trans-66.2118.8172.4-179.3-111.7000111Q544 N547 I549Y542-Q544 HydrophobicContact CE1-CG 4.09Å; Y542-N547 PolarHBondContact OH-OD1 3.34Å; Y542-I549 HydrophobicContact CD2-CG1 4.23Å
543S58.4Low50.8Low28 Ų28111.1 Ų111.120%0.19656%0.558CS.*EExtended strand (participates in β ladder)trans-99.999.7-176.8-1740000110.2R541 A545 H546 N547 A548 L550R541-S543 PolarHBondContact O-N 3.46Å; S543-A545 PolarHBondContact O-N 3.19Å; S543-H546 CarbonylContact O-C 3.48Å; S543-H546 PolarHBondContact O-N 2.57Å; S543-H546 PolarHBondContact OG-ND1 3.13Å; S543-N547 PolarHBondContact O-N 3.39Å; S543-A548 PolarHBondContact N-O 3.15Å; S543-L550 VanDerWaalsContact CB-CD1 3.44Å
544Q49Very low51.9Low172 Ų172109 Ų10980%0.80455%0.55SS*.THydrogen-bonded Turntrans-59.7-20.3-177.9-123.2175.7-6.100114.1Y542Y542-Q544 HydrophobicContact CE1-CG 4.09Å
545A51.4Low53.7Low93 Ų93103.9 Ų103.977%0.76954%0.535SS*.THydrogen-bonded Turntrans-78.4-22.3175.600000113.8S543S543-A545 PolarHBondContact O-N 3.19Å
546H47.3Very low55.2Low133 Ų13398 Ų9862%0.61652%0.519SS*.THydrogen-bonded Turntrans-118.2-0.9-178.4-59.283.3000112.6S543 A548S543-H546 CarbonylContact O-C 3.48Å; S543-H546 PolarHBondContact O-N 2.57Å; S543-H546 PolarHBondContact OG-ND1 3.13Å; H546-A548 PolarHBondContact O-N 3.49Å; H546-A548 VanDerWaalsContact O-N 3.13Å
547N62.1Low56.4Low123 Ų12395.4 Ų95.466%0.65849%0.491SS*.THydrogen-bonded Turntrans54.125.6-176.5-156.164.8000114.5Y542 S543Y542-N547 PolarHBondContact OH-OD1 3.34Å; S543-N547 PolarHBondContact O-N 3.39Å
548A63.7Low57.8Low25 Ų2589.5 Ų89.521%0.20747%0.471CS..EExtended strand (participates in β ladder)trans-135.3159.6-17000000112S543 H546 L556S543-A548 PolarHBondContact N-O 3.15Å; H546-A548 PolarHBondContact O-N 3.49Å; H546-A548 VanDerWaalsContact O-N 3.13Å; A548-L556 HydrophobicContact CB-CD2 3.41Å; A548-L556 VanDerWaalsContact CB-CD2 3.41Å
549I62Low58.8Low77 Ų7792.5 Ų92.540%0.39548%0.479SS..EExtended strand (participates in β ladder)trans-86.9120.4174.9-55.4178.7000108.3W540 Y542 L557W540-I549 HydrophobicContact CB-CG2 3.78Å; W540-I549 HydrophobicContact CE3-CG2 4.05Å; W540-I549 HydrophobicContact CG-CG2 4.46Å; Y542-I549 HydrophobicContact CD2-CG1 4.23Å; I549-L557 PolarHBondContact O-N 2.89Å
550L62.2Low59.4Low30 Ų3095.7 Ų95.716%0.15749%0.492CS..EExtended strand (participates in β ladder)trans-102.8142.6-180-58.2-174.5000112.2W540 R541 S543 E555 L556W540-L550 CarbonylContact C-O 3.54Å; W540-L550 WeakPolarHBondContact CA-O 3.33Å; R541-L550 PolarHBondContact N-O 3.36Å; R541-L550 PolarHBondContact O-N 3.33Å; S543-L550 VanDerWaalsContact CB-CD1 3.44Å; L550-E555 CarbonylContact C-O 3.55Å; L550-E555 WeakPolarHBondContact CA-O 3.34Å; L550-L556 HydrophobicContact CD2-CD2 3.58Å; L550-L556 HydrophobicContact CD2-CG 3.97Å
551G66.1Low59.8Low8 Ų893.9 Ų93.98%0.08249%0.488CS..  trans-69.5176171.700000112.9W540 F553 G554 E555W540-G551 VanDerWaalsContact CE3-CA 3.46Å; G551-F553 PolarHBondContact O-N 2.87Å; G551-F553 VanDerWaalsContact O-N 3.12Å; G551-G554 PolarHBondContact O-N 2.75Å; G551-G554 VanDerWaalsContact O-N 3.08Å; G551-E555 PolarHBondContact N-O 3.3Å
552P50.7Low60.4Low72 Ų7289.1 Ų89.147%0.46848%0.476SS..THydrogen-bonded Turntrans-63.8-18-176.427.5-34.9000113.9V538V538-P552 HydrophobicContact CG1-CG 4.15Å
553F51.4Low60.5Low177 Ų17786.1 Ų86.178%0.77647%0.468SS*.THydrogen-bonded Turntrans-107.13.5176.9-55.1-67.7000114G551G551-F553 PolarHBondContact O-N 2.87Å; G551-F553 VanDerWaalsContact O-N 3.12Å
554G56.4Low61.1Low44 Ų4491 Ų9145%0.45448%0.484SS..SBendtrans92.82.8-17800000115G551G551-G554 PolarHBondContact O-N 2.75Å; G551-G554 VanDerWaalsContact O-N 3.08Å
555E70.9Confident62Low111 Ų11186.1 Ų86.152%0.51946%0.462SS..PPolyproline II helixtrans-59.1143171.8-63.1131.5165.800111.1L550 G551L550-E555 CarbonylContact C-O 3.55Å; L550-E555 WeakPolarHBondContact CA-O 3.34Å; G551-E555 PolarHBondContact N-O 3.3Å
556L62.8Low62.7Low111 Ų11187.4 Ų87.458%0.58145%0.452SS*.BIsolated β-bridgetrans-75.6143.3170-75158.8000109.8A548 L550 T558A548-L556 HydrophobicContact CB-CD2 3.41Å; A548-L556 VanDerWaalsContact CB-CD2 3.41Å; L550-L556 HydrophobicContact CD2-CD2 3.58Å; L550-L556 HydrophobicContact CD2-CG 3.97Å; L556-T558 PolarHBondContact O-N 3.47Å
557L61.2Low63.7Low48 Ų4886.4 Ų86.425%0.25145%0.448SS..PPolyproline II helixtrans-53.8120.5170.6-172.478000110W540 I549 D561 L562 L565W540-L557 HydrophobicContact CD2-CD1 4.38Å; W540-L557 HydrophobicContact CE3-CD1 4.05Å; W540-L557 HydrophobicContact CH2-CD1 3.66Å; W540-L557 HydrophobicContact CZ2-CD1 3.99Å; W540-L557 HydrophobicContact CZ3-CB 4.1Å; W540-L557 HydrophobicContact CZ3-CD1 3.68Å; I549-L557 PolarHBondContact O-N 2.89Å; L557-D561 HydrophobicContact CD1-CB 3.45Å; L557-D561 VanDerWaalsContact CD1-CB 3.45Å; L557-D561 HydrophobicContact CG-CB 3.98Å; L557-L562 HydrophobicContact CD2-CD1 4.16Å; L557-L565 HydrophobicContact CD1-CD1 3.89Å; L557-L565 HydrophobicContact CD2-CD1 4.49Å
558T69Low64Low71 Ų7184.4 Ų84.444%0.43644%0.435SS..PPolyproline II helixtrans-8216717965.80000111.9L556 D560 D561 L562L556-T558 PolarHBondContact O-N 3.47Å; T558-D560 VanDerWaalsContact C-N 3.31Å; T558-D561 WeakPolarHBondContact CB-OD2 3.38Å; T558-D561 PolarHBondContact N-OD2 3.29Å; T558-D561 WeakPolarHBondContact O-CB 3.16Å; T558-D561 PolarHBondContact O-N 3.43Å; T558-D561 PolarHBondContact OG1-N 3.08Å; T558-D561 VanDerWaalsContact OG1-N 3.07Å; T558-D561 PolarHBondContact OG1-OD2 3.46Å; T558-L562 PolarHBondContact O-N 3.29Å
559E65Low64.3Low154 Ų15488.9 Ų88.972%0.7245%0.454SS*.Hα-helixtrans-65.3-36.1173.8-166.8163.4-163.800111.5L562 I563E559-L562 WeakPolarHBondContact O-CB 3.28Å; E559-L562 PolarHBondContact O-N 2.93Å; E559-I563 HydrophobicContact CG-CD1 4.23Å; E559-I563 VanDerWaalsContact O-CG1 3.28Å; E559-I563 WeakPolarHBondContact O-CG1 3.41Å; E559-I563 PolarHBondContact O-N 3.31Å
560D60.1Low64.6Low130 Ų13087.8 Ų87.870%0.69546%0.456SS*.Hα-helixtrans-61.1-41.7169.8-76.9-40.9000112.5T558 L562 Y564T558-D560 VanDerWaalsContact C-N 3.31Å; D560-L562 VanDerWaalsContact C-N 3.33Å; D560-Y564 VanDerWaalsContact O-CB 3.28Å; D560-Y564 WeakPolarHBondContact O-CB 3.13Å; D560-Y564 PolarHBondContact O-N 3.02Å
561D67.5Low64.8Low48 Ų4890.1 Ų90.126%0.25747%0.469SS..Hα-helixtrans-64.7-37.8174.5-68.5-64.3000111.7W540 L557 T558 Y564 L565W540-D561 HydrophobicContact CH2-CB 4.45Å; L557-D561 HydrophobicContact CD1-CB 3.45Å; L557-D561 VanDerWaalsContact CD1-CB 3.45Å; L557-D561 HydrophobicContact CG-CB 3.98Å; T558-D561 WeakPolarHBondContact CB-OD2 3.38Å; T558-D561 PolarHBondContact N-OD2 3.29Å; T558-D561 WeakPolarHBondContact O-CB 3.16Å; T558-D561 PolarHBondContact O-N 3.43Å; T558-D561 PolarHBondContact OG1-N 3.08Å; T558-D561 VanDerWaalsContact OG1-N 3.07Å; T558-D561 PolarHBondContact OG1-OD2 3.46Å; D561-Y564 PolarHBondContact O-N 3.44Å; D561-L565 WeakPolarHBondContact O-CB 3.5Å; D561-L565 VanDerWaalsContact O-CG 3.26Å; D561-L565 WeakPolarHBondContact O-CG 3.13Å; D561-L565 PolarHBondContact O-N 3.17Å
562L68.5Low64.9Low81 Ų8193.9 Ų93.942%0.42449%0.49SS..Hα-helixtrans-64.8-50.7177.4-172.669.4000110.5L557 T558 E559 D560 Y564 L565 E566L557-L562 HydrophobicContact CD2-CD1 4.16Å; T558-L562 PolarHBondContact O-N 3.29Å; E559-L562 WeakPolarHBondContact O-CB 3.28Å; E559-L562 PolarHBondContact O-N 2.93Å; D560-L562 VanDerWaalsContact C-N 3.33Å; L562-Y564 VanDerWaalsContact C-N 3.28Å; L562-Y564 PolarHBondContact O-N 3.13Å; L562-L565 PolarHBondContact O-N 3.02Å; L562-L565 VanDerWaalsContact O-N 3.12Å; L562-E566 WeakPolarHBondContact O-CG 3.17Å; L562-E566 PolarHBondContact O-N 2.96Å
563I65Low65.6Low73 Ų7393.1 Ų93.137%0.37449%0.486SS..Hα-helixtrans-58.2-41.5175.4-67.9164.4000110.6E559 E566 Q567E559-I563 HydrophobicContact CG-CD1 4.23Å; E559-I563 VanDerWaalsContact O-CG1 3.28Å; E559-I563 WeakPolarHBondContact O-CG1 3.41Å; E559-I563 PolarHBondContact O-N 3.31Å; I563-E566 PolarHBondContact O-N 3.24Å; I563-Q567 WeakPolarHBondContact O-CB 3.21Å; I563-Q567 VanDerWaalsContact O-CG 3.3Å; I563-Q567 WeakPolarHBondContact O-CG 3.32Å; I563-Q567 PolarHBondContact O-N 3.4Å
564Y71.3Confident66.3Low131 Ų13189.7 Ų89.751%0.51448%0.476SS..Hα-helixtrans-63.3-44.4175.1176.5-98.7000112.2D560 D561 L562 Q567 Q568D560-Y564 VanDerWaalsContact O-CB 3.28Å; D560-Y564 WeakPolarHBondContact O-CB 3.13Å; D560-Y564 PolarHBondContact O-N 3.02Å; D561-Y564 PolarHBondContact O-N 3.44Å; L562-Y564 VanDerWaalsContact C-N 3.28Å; L562-Y564 PolarHBondContact O-N 3.13Å; Y564-Q567 PolarHBondContact O-N 3.03Å; Y564-Q568 HydrophobicContact CD1-CG 4.34Å; Y564-Q568 HydrophobicContact CE1-CG 3.87Å; Y564-Q568 HydrophobicContact CE2-CG 4.37Å; Y564-Q568 WeakPolarHBondContact O-CG 3.22Å; Y564-Q568 PolarHBondContact O-N 3.08Å
565L67.3Low66.6Low68 Ų6893.8 Ų93.836%0.35648%0.483SS..Hα-helixtrans-65-40.7177.2-75171.1000112.1L557 D561 L562 Q568 I569L557-L565 HydrophobicContact CD1-CD1 3.89Å; L557-L565 HydrophobicContact CD2-CD1 4.49Å; D561-L565 WeakPolarHBondContact O-CB 3.5Å; D561-L565 VanDerWaalsContact O-CG 3.26Å; D561-L565 WeakPolarHBondContact O-CG 3.13Å; D561-L565 PolarHBondContact O-N 3.17Å; L562-L565 PolarHBondContact O-N 3.02Å; L562-L565 VanDerWaalsContact O-N 3.12Å; L565-Q568 PolarHBondContact O-N 3.04Å; L565-I569 VanDerWaalsContact O-CG1 3.29Å; L565-I569 WeakPolarHBondContact O-CG1 3.47Å; L565-I569 PolarHBondContact O-N 3.34Å
566E66.8Low66.5Low120 Ų12098.1 Ų98.156%0.56150%0.495SS*.Hα-helixtrans-62.4-43.2173.5-71.9-171.6165.100111.7L562 I563 Q568 I569 A570L562-E566 WeakPolarHBondContact O-CG 3.17Å; L562-E566 PolarHBondContact O-N 2.96Å; I563-E566 PolarHBondContact O-N 3.24Å; E566-Q568 VanDerWaalsContact C-N 3.31Å; E566-Q568 PolarHBondContact O-N 2.83Å; E566-I569 PolarHBondContact O-N 3.26Å; E566-A570 VanDerWaalsContact O-CB 3.31Å; E566-A570 WeakPolarHBondContact O-CB 3.44Å; E566-A570 PolarHBondContact O-N 3.02Å
567Q67.8Low66.5Low112 Ų11297 Ų9752%0.52349%0.49SS..Hα-helixtrans-62.8-34.1173.2-73179.126.400112.9I563 Y564 N571I563-Q567 WeakPolarHBondContact O-CB 3.21Å; I563-Q567 VanDerWaalsContact O-CG 3.3Å; I563-Q567 WeakPolarHBondContact O-CG 3.32Å; I563-Q567 PolarHBondContact O-N 3.4Å; Y564-Q567 PolarHBondContact O-N 3.03Å; Q567-N571 WeakPolarHBondContact O-CB 3.44Å; Q567-N571 PolarHBondContact O-N 3.41Å; Q567-N571 PolarHBondContact O-ND2 2.88Å
568Q68.6Low66.5Low82 Ų8297.3 Ų97.338%0.38350%0.495SS..Hα-helixtrans-70.1-42.8172.6-68.6-52-69.800111.9Y564 L565 E566 A570 N571 V572Y564-Q568 HydrophobicContact CD1-CG 4.34Å; Y564-Q568 HydrophobicContact CE1-CG 3.87Å; Y564-Q568 HydrophobicContact CE2-CG 4.37Å; Y564-Q568 WeakPolarHBondContact O-CG 3.22Å; Y564-Q568 PolarHBondContact O-N 3.08Å; L565-Q568 PolarHBondContact O-N 3.04Å; E566-Q568 VanDerWaalsContact C-N 3.31Å; E566-Q568 PolarHBondContact O-N 2.83Å; Q568-A570 VanDerWaalsContact C-N 3.34Å; Q568-A570 PolarHBondContact O-N 2.72Å; Q568-N571 PolarHBondContact O-N 3.45Å; Q568-V572 WeakPolarHBondContact O-CG2 3.43Å; Q568-V572 PolarHBondContact O-N 2.9Å
569I69.6Low66.2Low118 Ų11896.6 Ų96.661%0.60550%0.496SS*.Hα-helixtrans-62.8-42176.5-69163.8000110.5L565 E566 V572 S573L565-I569 VanDerWaalsContact O-CG1 3.29Å; L565-I569 WeakPolarHBondContact O-CG1 3.47Å; L565-I569 PolarHBondContact O-N 3.34Å; E566-I569 PolarHBondContact O-N 3.26Å; I569-V572 PolarHBondContact O-N 2.92Å; I569-S573 WeakPolarHBondContact O-CB 3.33Å; I569-S573 PolarHBondContact O-N 3.39Å; I569-S573 PolarHBondContact O-OG 2.97Å
570A68.8Low66.5Low54 Ų5491 Ų9145%0.44648%0.479SS..Hα-helixtrans-63.2-40.3174.400000112.5E566 Q568 S573 L574E566-A570 VanDerWaalsContact O-CB 3.31Å; E566-A570 WeakPolarHBondContact O-CB 3.44Å; E566-A570 PolarHBondContact O-N 3.02Å; Q568-A570 VanDerWaalsContact C-N 3.34Å; Q568-A570 PolarHBondContact O-N 2.72Å; A570-S573 PolarHBondContact O-OG 2.99Å; A570-S573 VanDerWaalsContact O-OG 3.05Å; A570-L574 VanDerWaalsContact O-CB 3.23Å; A570-L574 WeakPolarHBondContact O-CB 3.49Å; A570-L574 PolarHBondContact O-N 2.83Å
571N65.9Low66.8Low79 Ų7991.7 Ų91.742%0.42247%0.473SS..Hα-helixtrans-65-41.5173.6-89.8-80.4000112.3Q567 Q568 L574 Q575Q567-N571 WeakPolarHBondContact O-CB 3.44Å; Q567-N571 PolarHBondContact O-N 3.41Å; Q567-N571 PolarHBondContact O-ND2 2.88Å; Q568-N571 PolarHBondContact O-N 3.45Å; N571-L574 PolarHBondContact O-N 2.9Å; N571-Q575 WeakPolarHBondContact O-CB 3.09Å; N571-Q575 VanDerWaalsContact O-CG 3.31Å; N571-Q575 WeakPolarHBondContact O-CG 3.18Å; N571-Q575 PolarHBondContact O-N 3.13Å
572V67.6Low66.5Low88 Ų8893.4 Ų93.453%0.53348%0.48SS..Hα-helixtrans-70.2-37.7178.91720000111.6Q568 I569 Q575 R576Q568-V572 WeakPolarHBondContact O-CG2 3.43Å; Q568-V572 PolarHBondContact O-N 2.9Å; I569-V572 PolarHBondContact O-N 2.92Å; V572-Q575 PolarHBondContact O-N 2.76Å; V572-R576 WeakPolarHBondContact O-CB 3.26Å; V572-R576 PolarHBondContact O-N 2.93Å
573S66.6Low66.4Low55 Ų5595.9 Ų95.939%0.38549%0.493SS..Hα-helixtrans-68-41.1173.971.50000111.4I569 A570 Q575 R576 N577I569-S573 WeakPolarHBondContact O-CB 3.33Å; I569-S573 PolarHBondContact O-N 3.39Å; I569-S573 PolarHBondContact O-OG 2.97Å; A570-S573 PolarHBondContact O-OG 2.99Å; A570-S573 VanDerWaalsContact O-OG 3.05Å; S573-Q575 PolarHBondContact O-N 3.25Å; S573-R576 PolarHBondContact O-N 3.35Å; S573-N577 WeakPolarHBondContact O-CB 3.43Å; S573-N577 PolarHBondContact O-N 3.13Å; S573-N577 PolarHBondContact O-OD1 3.43Å
574L65.7Low66.7Low105 Ų10597.9 Ų97.955%0.5550%0.501SS..Hα-helixtrans-59.3-45.4172.7-170.378.4000111.6A570 N571 R576 N577 C578A570-L574 VanDerWaalsContact O-CB 3.23Å; A570-L574 WeakPolarHBondContact O-CB 3.49Å; A570-L574 PolarHBondContact O-N 2.83Å; N571-L574 PolarHBondContact O-N 2.9Å; L574-R576 PolarHBondContact O-N 3.16Å; L574-N577 PolarHBondContact O-N 3.33Å; L574-C578 WeakPolarHBondContact O-CB 3.07Å; L574-C578 PolarHBondContact O-N 2.92Å; L574-C578 PolarHBondContact O-SG 3.03Å
575Q62.5Low66.4Low130 Ų13093.7 Ų93.761%0.60749%0.487SS*.Hα-helixtrans-61.2-43.1175.5-76.2176.48.100112.1N571 V572 S573 C578 A579N571-Q575 WeakPolarHBondContact O-CB 3.09Å; N571-Q575 VanDerWaalsContact O-CG 3.31Å; N571-Q575 WeakPolarHBondContact O-CG 3.18Å; N571-Q575 PolarHBondContact O-N 3.13Å; V572-Q575 PolarHBondContact O-N 2.76Å; S573-Q575 PolarHBondContact O-N 3.25Å; Q575-C578 PolarHBondContact O-N 2.78Å; Q575-A579 PolarHBondContact O-N 3.44Å
576R68.5Low66.3Low202 Ų20292.8 Ų92.876%0.76249%0.489SS*.Hα-helixtrans-65.1-39.6177.5-168.5176.3-175.2174.90.9112.3V572 S573 L574 A579 G580V572-R576 WeakPolarHBondContact O-CB 3.26Å; V572-R576 PolarHBondContact O-N 2.93Å; S573-R576 PolarHBondContact O-N 3.35Å; L574-R576 PolarHBondContact O-N 3.16Å; R576-A579 PolarHBondContact O-N 3.42Å; R576-G580 PolarHBondContact O-N 2.89Å; R576-G580 VanDerWaalsContact O-N 3.12Å
577N63.3Low66.7Low89 Ų8994.7 Ų94.748%0.47649%0.491SS..Hα-helixtrans-68.9-42.3176.5-67-7000111.2S573 L574 A579 G580 Y581S573-N577 WeakPolarHBondContact O-CB 3.43Å; S573-N577 PolarHBondContact O-N 3.13Å; S573-N577 PolarHBondContact O-OD1 3.43Å; L574-N577 PolarHBondContact O-N 3.33Å; N577-A579 VanDerWaalsContact C-N 3.32Å; N577-A579 PolarHBondContact O-N 3.34Å; N577-G580 WeakPolarHBondContact O-CA 3.47Å; N577-G580 PolarHBondContact O-N 3.19Å; N577-G580 VanDerWaalsContact O-N 3.09Å; N577-Y581 HydrophobicContact CB-CE2 4.26Å; N577-Y581 WeakPolarHBondContact O-CD2 3.31Å; N577-Y581 PolarHBondContact O-N 3.3Å
578C60.2Low66.8Low53 Ų5393.8 Ų93.836%0.35849%0.489SS..Hα-helixtrans-57.1-42.5172-76.80000112.3L574 Q575 G580 Y581 E582L574-C578 WeakPolarHBondContact O-CB 3.07Å; L574-C578 PolarHBondContact O-N 2.92Å; L574-C578 PolarHBondContact O-SG 3.03Å; Q575-C578 PolarHBondContact O-N 2.78Å; C578-G580 VanDerWaalsContact C-N 3.32Å; C578-G580 PolarHBondContact O-N 3.32Å; C578-Y581 PolarHBondContact O-N 3.04Å; C578-E582 WeakPolarHBondContact O-CG 3.08Å; C578-E582 PolarHBondContact O-N 3.19Å
579A64.6Low66.5Low56 Ų5690.2 Ų90.246%0.46347%0.474SS..Hα-helixtrans-64.3-34.917500000112.7Q575 R576 N577 L583Q575-A579 PolarHBondContact O-N 3.44Å; R576-A579 PolarHBondContact O-N 3.42Å; N577-A579 VanDerWaalsContact C-N 3.32Å; N577-A579 PolarHBondContact O-N 3.34Å; A579-L583 PolarHBondContact O-N 2.85Å; A579-L583 VanDerWaalsContact O-N 3.15Å
580G69.7Low66.3Low36 Ų3688.3 Ų88.337%0.37146%0.463SS..Hα-helixtrans-61.9-50.3170.300000112.3R576 N577 C578 E582 L583 E584R576-G580 PolarHBondContact O-N 2.89Å; R576-G580 VanDerWaalsContact O-N 3.12Å; N577-G580 WeakPolarHBondContact O-CA 3.47Å; N577-G580 PolarHBondContact O-N 3.19Å; N577-G580 VanDerWaalsContact O-N 3.09Å; C578-G580 VanDerWaalsContact C-N 3.32Å; C578-G580 PolarHBondContact O-N 3.32Å; G580-E582 VanDerWaalsContact C-N 3.31Å; G580-E582 PolarHBondContact O-N 2.98Å; G580-L583 WeakPolarHBondContact O-CB 3.42Å; G580-L583 PolarHBondContact O-N 2.85Å; G580-E584 PolarHBondContact O-N 3.15Å
581Y67.1Low66.4Low145 Ų14589.4 Ų89.457%0.56946%0.458SS*.Hα-helixtrans-65.4-29.8177.3-61.7-49000113.3N577 C578 L585N577-Y581 HydrophobicContact CB-CE2 4.26Å; N577-Y581 WeakPolarHBondContact O-CD2 3.31Å; N577-Y581 PolarHBondContact O-N 3.3Å; C578-Y581 PolarHBondContact O-N 3.04Å; Y581-L585 VanDerWaalsContact O-CB 3.28Å; Y581-L585 WeakPolarHBondContact O-CB 3.35Å; Y581-L585 WeakPolarHBondContact O-CG 3.18Å; Y581-L585 PolarHBondContact O-N 3.34Å
582E60.8Low66.2Low84 Ų8488.8 Ų88.839%0.39346%0.455SS..Hα-helixtrans-65.7-37.8170-75.6-162.913000112.1C578 G580 A586 R624C578-E582 WeakPolarHBondContact O-CG 3.08Å; C578-E582 PolarHBondContact O-N 3.19Å; G580-E582 VanDerWaalsContact C-N 3.31Å; G580-E582 PolarHBondContact O-N 2.98Å; E582-A586 WeakPolarHBondContact O-CB 3.39Å; E582-A586 PolarHBondContact O-N 3.48Å; E582-R624 IonicContact OE1-CZ 3.33Å; E582-R624 IonicContact OE1-NH1 3.67Å; E582-R624 PolarHBondContact OE1-NH1 2.85Å; E582-R624 IonicContact OE1-NH2 2.78Å; E582-R624 PolarHBondContact OE1-NH2 3.49Å
583L67.5Low65.9Low134 Ų13490.1 Ų90.170%0.70245%0.451SS*.Hα-helixtrans-66.7-43175.4-159.887.7000111.5A579 G580 A586 R587A579-L583 PolarHBondContact O-N 2.85Å; A579-L583 VanDerWaalsContact O-N 3.15Å; G580-L583 WeakPolarHBondContact O-CB 3.42Å; G580-L583 PolarHBondContact O-N 2.85Å; L583-A586 PolarHBondContact O-N 3.48Å; L583-R587 WeakPolarHBondContact O-CB 3.47Å; L583-R587 PolarHBondContact O-N 3.3Å
584E70.8Confident65.8Low115 Ų11594.7 Ų94.754%0.53747%0.465SS..Hα-helixtrans-67.1-41.8175.8-68.6-168.9143.900112.3G580 A586 R587 L588G580-E584 PolarHBondContact O-N 3.15Å; E584-A586 VanDerWaalsContact C-N 3.31Å; E584-A586 PolarHBondContact O-N 3.09Å; E584-R587 PolarHBondContact O-N 3.36Å; E584-L588 WeakPolarHBondContact O-CB 3.41Å; E584-L588 VanDerWaalsContact O-CG 3.32Å; E584-L588 WeakPolarHBondContact O-CG 3.1Å; E584-L588 PolarHBondContact O-N 3.21Å
585L65.3Low65.8Low42 Ų4295.8 Ų95.822%0.2247%0.471CS..Hα-helixtrans-62.7-37.1173.5-83.7164.1000112.2Y581 A589 W621 I628Y581-L585 VanDerWaalsContact O-CB 3.28Å; Y581-L585 WeakPolarHBondContact O-CB 3.35Å; Y581-L585 WeakPolarHBondContact O-CG 3.18Å; Y581-L585 PolarHBondContact O-N 3.34Å; L585-A589 VanDerWaalsContact O-CB 3.24Å; L585-A589 WeakPolarHBondContact O-CB 3.34Å; L585-A589 PolarHBondContact O-N 3.05Å; L585-W621 HydrophobicContact CD1-CB 4.43Å; L585-I628 HydrophobicContact CD2-CD1 4.48Å
586A63.9Low65.4Low49 Ų4992.7 Ų92.741%0.40546%0.458SS..Hα-helixtrans-66.4-43.7173.700000111.5E582 L583 E584 A589 E590E582-A586 WeakPolarHBondContact O-CB 3.39Å; E582-A586 PolarHBondContact O-N 3.48Å; L583-A586 PolarHBondContact O-N 3.48Å; E584-A586 VanDerWaalsContact C-N 3.31Å; E584-A586 PolarHBondContact O-N 3.09Å; A586-A589 PolarHBondContact O-N 2.77Å; A586-E590 PolarHBondContact O-N 2.92Å
587R76.5Confident64.4Low161 Ų16188.7 Ų88.761%0.60846%0.458SS*.Hα-helixtrans-60.3-50.8174.9177.8-176.1165.1-164.2-11.8111.7L583 E584 A589 E590 E591L583-R587 WeakPolarHBondContact O-CB 3.47Å; L583-R587 PolarHBondContact O-N 3.3Å; E584-R587 PolarHBondContact O-N 3.36Å; R587-A589 VanDerWaalsContact C-N 3.31Å; R587-A589 PolarHBondContact O-N 3.36Å; R587-E590 WeakPolarHBondContact O-CA 3.46Å; R587-E590 WeakPolarHBondContact O-CB 3.38Å; R587-E590 PolarHBondContact O-N 3.04Å; R587-E591 IonicContact CZ-OE1 3.73Å; R587-E591 IonicContact NE-OE1 3.93Å; R587-E591 PolarHBondContact NE-OE1 3.14Å; R587-E591 IonicContact NH2-OE1 2.72Å; R587-E591 PolarHBondContact NH2-OE1 3.15Å; R587-E591 PolarHBondContact O-N 2.94Å
588L69.5Low63.6Low92 Ų9289 Ų8948%0.48247%0.473SS..Hα-helixtrans-63.9-36.4-179.9-71.2168.3000111.8E584 E590 E591 L592E584-L588 WeakPolarHBondContact O-CB 3.41Å; E584-L588 VanDerWaalsContact O-CG 3.32Å; E584-L588 WeakPolarHBondContact O-CG 3.1Å; E584-L588 PolarHBondContact O-N 3.21Å; L588-E590 VanDerWaalsContact C-N 3.29Å; L588-E590 PolarHBondContact O-N 3.37Å; L588-E591 PolarHBondContact O-N 3.46Å; L588-L592 WeakPolarHBondContact O-CB 3.4Å; L588-L592 VanDerWaalsContact O-CG 3.24Å; L588-L592 WeakPolarHBondContact O-CG 3.46Å; L588-L592 PolarHBondContact O-N 2.77Å
589A62Low63Low8 Ų891.9 Ų91.97%0.06649%0.491CS..Hα-helixtrans-64.1-33.817200000112.4L585 A586 R587 R593 I603L585-A589 VanDerWaalsContact O-CB 3.24Å; L585-A589 WeakPolarHBondContact O-CB 3.34Å; L585-A589 PolarHBondContact O-N 3.05Å; A586-A589 PolarHBondContact O-N 2.77Å; R587-A589 VanDerWaalsContact C-N 3.31Å; R587-A589 PolarHBondContact O-N 3.36Å; A589-R593 VanDerWaalsContact O-CG 3.28Å; A589-R593 WeakPolarHBondContact O-CG 3.41Å; A589-R593 PolarHBondContact O-N 3.15Å; A589-R593 VanDerWaalsContact O-N 3.08Å; A589-I603 HydrophobicContact CB-CG2 4.21Å
590E66.4Low62.3Low78 Ų7895.9 Ų95.936%0.36450%0.503SS..Hα-helixtrans-76.2-40.3176.5-15858.4-131.300112.5A586 R587 L588 L592 R593 H594A586-E590 PolarHBondContact O-N 2.92Å; R587-E590 WeakPolarHBondContact O-CA 3.46Å; R587-E590 WeakPolarHBondContact O-CB 3.38Å; R587-E590 PolarHBondContact O-N 3.04Å; L588-E590 VanDerWaalsContact C-N 3.29Å; L588-E590 PolarHBondContact O-N 3.37Å; E590-L592 VanDerWaalsContact C-N 3.32Å; E590-L592 PolarHBondContact O-N 2.89Å; E590-R593 WeakPolarHBondContact O-CB 2.96Å; E590-R593 PolarHBondContact O-N 2.84Å; E590-R593 VanDerWaalsContact O-N 3.15Å; E590-R593 IonicContact OE1-NH1 3.56Å; E590-R593 WeakPolarHBondContact OE2-CD 3.35Å; E590-R593 IonicContact OE2-CZ 2.79Å; E590-R593 IonicContact OE2-NE 3.52Å; E590-R593 IonicContact OE2-NH1 2.66Å; E590-R593 PolarHBondContact OE2-NH1 3.11Å; E590-H594 PolarHBondContact O-N 3.43Å; E590-H594 PolarHBondContact O-ND1 2.7Å; E590-H594 IonicContact OE1-CE1 3.6Å; E590-H594 PolarHBondContact OE1-CE1 3.05Å; E590-H594 IonicContact OE1-ND1 3.15Å
591E70.8Confident61.2Low76 Ų7696.2 Ų96.236%0.35550%0.498SS..Hα-helixtrans-60.2-41.7171.6-71177.2178.700111R587 L588 R593 H594 I595R587-E591 IonicContact CZ-OE1 3.73Å; R587-E591 IonicContact NE-OE1 3.93Å; R587-E591 PolarHBondContact NE-OE1 3.14Å; R587-E591 IonicContact NH2-OE1 2.72Å; R587-E591 PolarHBondContact NH2-OE1 3.15Å; R587-E591 PolarHBondContact O-N 2.94Å; L588-E591 PolarHBondContact O-N 3.46Å; E591-R593 PolarHBondContact O-N 3.19Å; E591-H594 PolarHBondContact O-N 2.94Å; E591-H594 VanDerWaalsContact O-N 3.17Å; E591-I595 WeakPolarHBondContact O-CG1 3.17Å; E591-I595 PolarHBondContact O-N 2.69Å; E591-I595 VanDerWaalsContact O-N 3.17Å
592L61.4Low60.4Low67 Ų6796.2 Ų96.235%0.35151%0.507SS..Hα-helixtrans-64.3-36.1173.1-73.6169.2000113.2L588 E590 H594 I595 L596L588-L592 WeakPolarHBondContact O-CB 3.4Å; L588-L592 VanDerWaalsContact O-CG 3.24Å; L588-L592 WeakPolarHBondContact O-CG 3.46Å; L588-L592 PolarHBondContact O-N 2.77Å; E590-L592 VanDerWaalsContact C-N 3.32Å; E590-L592 PolarHBondContact O-N 2.89Å; L592-H594 VanDerWaalsContact C-N 3.29Å; L592-H594 PolarHBondContact O-N 3.26Å; L592-I595 PolarHBondContact O-N 2.8Å; L592-L596 WeakPolarHBondContact O-CB 3.42Å; L592-L596 WeakPolarHBondContact O-CG 3.47Å; L592-L596 PolarHBondContact O-N 2.71Å; L592-L596 VanDerWaalsContact O-N 3.12Å
593R61.5Low59.9Low116 Ų11693.3 Ų93.344%0.43849%0.494SS..Hα-helixtrans-64.9-31.1172.2-75.1166.1-179.5-178.9-0.8112.8A589 E590 E591 I603A589-R593 VanDerWaalsContact O-CG 3.28Å; A589-R593 WeakPolarHBondContact O-CG 3.41Å; A589-R593 PolarHBondContact O-N 3.15Å; A589-R593 VanDerWaalsContact O-N 3.08Å; E590-R593 WeakPolarHBondContact O-CB 2.96Å; E590-R593 PolarHBondContact O-N 2.84Å; E590-R593 VanDerWaalsContact O-N 3.15Å; E590-R593 IonicContact OE1-NH1 3.56Å; E590-R593 WeakPolarHBondContact OE2-CD 3.35Å; E590-R593 IonicContact OE2-CZ 2.79Å; E590-R593 IonicContact OE2-NE 3.52Å; E590-R593 IonicContact OE2-NH1 2.66Å; E590-R593 PolarHBondContact OE2-NH1 3.11Å; E591-R593 PolarHBondContact O-N 3.19Å; R593-I603 PolarHBondContact NH2-O 3.41Å
594H64.4Low59Low151 Ų15192.5 Ų92.570%0.69950%0.495SS*.Hα-helixtrans-78-25.7178.2-75.160.3000112.7E590 E591 L592E590-H594 PolarHBondContact O-N 3.43Å; E590-H594 PolarHBondContact O-ND1 2.7Å; E590-H594 IonicContact OE1-CE1 3.6Å; E590-H594 PolarHBondContact OE1-CE1 3.05Å; E590-H594 IonicContact OE1-ND1 3.15Å; E591-H594 PolarHBondContact O-N 2.94Å; E591-H594 VanDerWaalsContact O-N 3.17Å; L592-H594 VanDerWaalsContact C-N 3.29Å; L592-H594 PolarHBondContact O-N 3.26Å
595I64.6Low57.7Low128 Ų12889.7 Ų89.766%0.65649%0.486SS*.Hα-helixtrans-83.9-30.2177.7-66164.5000111.9E591 L592E591-I595 WeakPolarHBondContact O-CG1 3.17Å; E591-I595 PolarHBondContact O-N 2.69Å; E591-I595 VanDerWaalsContact O-N 3.17Å; L592-I595 PolarHBondContact O-N 2.8Å
596L54.7Low56.4Low64 Ų6493.2 Ų93.234%0.33551%0.505SS..SBendtrans-99118.4-175.3-66.4171.8000112.1L592 A598 L635L592-L596 WeakPolarHBondContact O-CB 3.42Å; L592-L596 WeakPolarHBondContact O-CG 3.47Å; L592-L596 PolarHBondContact O-N 2.71Å; L592-L596 VanDerWaalsContact O-N 3.12Å; L596-A598 PolarHBondContact O-N 3.44Å; L596-L635 HydrophobicContact CD1-CD1 3.73Å; L596-L635 HydrophobicContact CD2-CD1 3.81Å; L596-L635 HydrophobicContact CG-CD1 4.43Å
597P47.2Very low55.5Low119 Ų11995.9 Ų95.977%0.77352%0.517SS*.PPolyproline II helixtrans-65125.3176.426.8-33.5000110.9
598A46.3Very low53.7Low95 Ų9596.1 Ų96.179%0.78552%0.524SS*.SBendtrans-74.1152-177.500000112.6L596L596-A598 PolarHBondContact O-N 3.44Å
599P48.8Very low52.1Low114 Ų114100.6 Ų100.674%0.7454%0.54SS*.SBendcis-125.8105.94.434.8-16.2000113.3
600I48.2Very low50.6Low139 Ų139110.5 Ų110.571%0.71358%0.576SS**SBendtrans-122.3-27.8169.9-62.4-177.4000112.9
601V48.4Very low49Very low43 Ų43113 Ų11326%0.26159%0.592SS.*  trans-129.1100.3179.4-169.20000112.2I603 L635V601-I603 HydrophobicContact CG1-CD1 4.42Å; V601-I603 HydrophobicContact CG1-CG1 3.64Å; V601-I603 PolarHBondContact O-N 2.7Å; V601-L635 HydrophobicContact CG2-CD1 3.89Å; V601-L635 HydrophobicContact CG2-CG 4.17Å
602N48.9Very low47.3Very low145 Ų145118.5 Ų118.578%0.77562%0.615SS**  trans-76.584.9166.7-82.5-7.5000110.2T604N602-T604 PolarHBondContact O-N 2.68Å
603I50.2Low46.3Very low23 Ų23123.9 Ų123.912%0.11864%0.635CS.*  trans-71.597.5168.6-52.3-179.2000108.1A589 R593 V601A589-I603 HydrophobicContact CB-CG2 4.21Å; R593-I603 PolarHBondContact NH2-O 3.41Å; V601-I603 HydrophobicContact CG1-CD1 4.42Å; V601-I603 HydrophobicContact CG1-CG1 3.64Å; V601-I603 PolarHBondContact O-N 2.7Å
604T48.8Very low45.3Very low117 Ų117123.7 Ų123.772%0.71865%0.652SS**  trans-104.8108.8177.545.80000111.2N602 N606N602-T604 PolarHBondContact O-N 2.68Å; T604-N606 PolarHBondContact O-N 3.07Å
605V43.2Very low43.9Very low56 Ų56125.3 Ų125.334%0.33966%0.66SS.*  trans-81.2107.8174.2-176.50000108.6T607V605-T607 HydrophobicContact CG1-CG2 4.24Å
606N39.8Very low43.1Very low116 Ų116126.4 Ų126.462%0.6267%0.672SS**  trans-83.8126.7172.8-165.9-5.7000110.2T604 Q608 R624T604-N606 PolarHBondContact O-N 3.07Å; N606-Q608 PolarHBondContact OD1-N 3.22Å; N606-R624 PolarHBondContact O-NH2 3.08Å
607T44.9Very low42.4Very low106 Ų106128.5 Ų128.565%0.6569%0.69SS**  trans-111.53.6-169.7510000113.8V605V605-T607 HydrophobicContact CG1-CG2 4.24Å
608Q38.4Very low42Very low165 Ų165130 Ų13077%0.77169%0.69SS**  trans-89.8116.6-177.6-62.6-173.13.900112.5N606N606-Q608 PolarHBondContact OD1-N 3.22Å
609F34.8Very low42.2Very low187 Ų187128.7 Ų128.782%0.8267%0.674SS**  trans-144.2129.4159.4-127.8-88.6000111.2
610R31.4Very low42.3Very low215 Ų215127.3 Ų127.381%0.81166%0.663SS**  trans-121.6130.4170.4-88.1-178.4167.4178.5-3.5108.2
611N32.5Very low42.3Very low131 Ų131126.9 Ų126.970%0.70165%0.653SS**  trans18.6130.9161.4-56-8.6000119.7
612F35.8Very low42.4Very low192 Ų192127.2 Ų127.284%0.84266%0.656SS**  -170.6-173.691.2-104.2-67000113.6
613K39.4Very low42.7Very low179 Ų179122.9 Ų122.978%0.77865%0.646SS**  trans-76.4153.2-160.6-67.9167.5179.1-1780115.4
614S41.1Very low43Very low112 Ų112124 Ų12478%0.78365%0.648SS**SBendtrans70.9144155.1680000118.7
615Q35.3Very low43.1Very low186 Ų186121.7 Ų121.787%0.86963%0.631SS**SBendtrans66.6132.5-168.6-55.6-173.2-0.700113.8P617Q615-P617 VanDerWaalsContact O-CD 3.31Å; Q615-P617 WeakPolarHBondContact O-CD 3.16Å
616V47.2Very low43.7Very low150 Ų150121.8 Ų121.891%0.90963%0.634SS**PPolyproline II helixtrans-86.1117.1-170.4178.70000110.6
617P39.8Very low44.5Very low109 Ų109118.1 Ų118.171%0.70862%0.624SS**PPolyproline II helixtrans-88.9156.9167.73.817.7000110.6Q615Q615-P617 VanDerWaalsContact O-CD 3.31Å; Q615-P617 WeakPolarHBondContact O-CD 3.16Å
618L39Very low45.2Very low150 Ų150115 Ų11579%0.78560%0.603SS**PPolyproline II helixtrans-62.5142.6169.1-76.8164.4000110.8
619P50.7Low46.2Very low68 Ų68111.2 Ų111.244%0.44259%0.591SS.*PPolyproline II helixtrans-54.5139.4178.5-29.536.9000114W621 C622P619-W621 HydrophobicContact CB-CG 4.43Å; P619-W621 PolarHBondContact O-N 2.99Å; P619-W621 VanDerWaalsContact O-N 3.08Å; P619-C622 WeakPolarHBondContact O-CB 3.15Å; P619-C622 PolarHBondContact O-N 3.03Å
620V50.9Low47.2Very low85 Ų85109 Ų10952%0.51558%0.581SS.*Hα-helixtrans-59.2-27.4-173.4-179.30000113.1C622 G623 R624V620-C622 VanDerWaalsContact C-N 3.27Å; V620-C622 PolarHBondContact O-N 3.05Å; V620-G623 PolarHBondContact O-N 2.97Å; V620-G623 VanDerWaalsContact O-N 3.13Å; V620-R624 PolarHBondContact O-N 2.67Å
621W47.4Very low48.3Very low130 Ų13099.8 Ų99.849%0.49255%0.55SS..Hα-helixtrans-62.3-30.317772.3-91.1000113.2L585 P619 G623 R624 I625L585-W621 HydrophobicContact CD1-CB 4.43Å; P619-W621 HydrophobicContact CB-CG 4.43Å; P619-W621 PolarHBondContact O-N 2.99Å; P619-W621 VanDerWaalsContact O-N 3.08Å; W621-G623 VanDerWaalsContact C-N 3.3Å; W621-G623 PolarHBondContact O-N 3.35Å; W621-R624 PolarHBondContact O-N 3.47Å; W621-R624 VanDerWaalsContact O-N 3.14Å; W621-I625 HydrophobicContact CE3-CD1 3.5Å; W621-I625 HydrophobicContact CE3-CG1 4.19Å; W621-I625 HydrophobicContact CZ3-CD1 3.52Å; W621-I625 PolarHBondContact O-N 2.92Å
622C50.4Low49.2Very low50 Ų5098.6 Ų98.634%0.33854%0.541SS..Hα-helixtrans-62.1-38.8174.4-60.20000111.8P619 V620 S626P619-C622 WeakPolarHBondContact O-CB 3.15Å; P619-C622 PolarHBondContact O-N 3.03Å; V620-C622 VanDerWaalsContact C-N 3.27Å; V620-C622 PolarHBondContact O-N 3.05Å; C622-S626 PolarHBondContact O-N 3.33Å
623G55.2Low50.2Low53 Ų5393 Ų9355%0.54653%0.525SS..Hα-helixtrans-66.8-39.9173.100000112.5V620 W621 S626 G627V620-G623 PolarHBondContact O-N 2.97Å; V620-G623 VanDerWaalsContact O-N 3.13Å; W621-G623 VanDerWaalsContact C-N 3.3Å; W621-G623 PolarHBondContact O-N 3.35Å; G623-S626 PolarHBondContact O-N 3.27Å; G623-G627 PolarHBondContact O-N 2.97Å; G623-G627 VanDerWaalsContact O-N 3.07Å
624R56.3Low51.1Low47 Ų4789.4 Ų89.418%0.17751%0.514CS..Hα-helixtrans-65.3-43.9176.6-64.8-178.8-177.1147.2-5.5112.1E582 N606 V620 W621 G627 I628E582-R624 IonicContact OE1-CZ 3.33Å; E582-R624 IonicContact OE1-NH1 3.67Å; E582-R624 PolarHBondContact OE1-NH1 2.85Å; E582-R624 IonicContact OE1-NH2 2.78Å; E582-R624 PolarHBondContact OE1-NH2 3.49Å; N606-R624 PolarHBondContact O-NH2 3.08Å; V620-R624 PolarHBondContact O-N 2.67Å; W621-R624 PolarHBondContact O-N 3.47Å; W621-R624 VanDerWaalsContact O-N 3.14Å; R624-G627 WeakPolarHBondContact O-CA 3.32Å; R624-G627 PolarHBondContact O-N 3.39Å; R624-G627 VanDerWaalsContact O-N 3.16Å; R624-I628 WeakPolarHBondContact O-CG1 3.44Å; R624-I628 PolarHBondContact O-N 3.37Å
625I52.6Low51.8Low68 Ų6886.1 Ų86.135%0.34949%0.488SS..Hα-helixtrans-63.2-41.8174.1-70.7-170.7000111.2W621 G627 I628 V629W621-I625 HydrophobicContact CE3-CD1 3.5Å; W621-I625 HydrophobicContact CE3-CG1 4.19Å; W621-I625 HydrophobicContact CZ3-CD1 3.52Å; W621-I625 PolarHBondContact O-N 2.92Å; I625-G627 PolarHBondContact O-N 3.35Å; I625-I628 PolarHBondContact O-N 3.13Å; I625-I628 VanDerWaalsContact O-N 3.15Å; I625-V629 HydrophobicContact CG2-CG2 3.91Å; I625-V629 WeakPolarHBondContact O-CB 3.38Å; I625-V629 WeakPolarHBondContact O-CG2 3.3Å; I625-V629 PolarHBondContact O-N 3.06Å
626S54.3Low52.6Low58 Ų5883.2 Ų83.241%0.40648%0.476SS..Hα-helixtrans-57.9-36.5174.3-167.40000112.3C622 G623 K630C622-S626 PolarHBondContact O-N 3.33Å; G623-S626 PolarHBondContact O-N 3.27Å; S626-K630 WeakPolarHBondContact O-CB 3.44Å; S626-K630 WeakPolarHBondContact O-CD 3.45Å; S626-K630 VanDerWaalsContact O-CG 3.23Å; S626-K630 WeakPolarHBondContact O-CG 3.41Å; S626-K630 PolarHBondContact O-N 2.9Å; S626-K630 VanDerWaalsContact O-N 3.14Å
627G56.9Low52.9Low40 Ų4080.1 Ų80.141%0.41246%0.457SS..Hα-helixtrans-66.1-49171.800000113.5G623 R624 I625 K630 S631G623-G627 PolarHBondContact O-N 2.97Å; G623-G627 VanDerWaalsContact O-N 3.07Å; R624-G627 WeakPolarHBondContact O-CA 3.32Å; R624-G627 PolarHBondContact O-N 3.39Å; R624-G627 VanDerWaalsContact O-N 3.16Å; I625-G627 PolarHBondContact O-N 3.35Å; G627-K630 PolarHBondContact O-N 2.8Å; G627-S631 PolarHBondContact O-N 3.28Å
628I59.9Low53.3Low41 Ų4180.1 Ų80.121%0.2145%0.451CS..Hα-helixtrans-62.5-48.4-179.7-66.9164000110.8L585 R624 I625 K630 S631 M632L585-I628 HydrophobicContact CD2-CD1 4.48Å; R624-I628 WeakPolarHBondContact O-CG1 3.44Å; R624-I628 PolarHBondContact O-N 3.37Å; I625-I628 PolarHBondContact O-N 3.13Å; I625-I628 VanDerWaalsContact O-N 3.15Å; I628-K630 VanDerWaalsContact C-N 3.32Å; I628-K630 PolarHBondContact O-N 2.96Å; I628-S631 PolarHBondContact O-N 3.14Å; I628-S631 VanDerWaalsContact O-N 3.07Å; I628-S631 PolarHBondContact O-OG 3.36Å; I628-M632 HydrophobicContact CG2-SD 3.8Å; I628-M632 PolarHBondContact O-N 3.3Å
629V59.4Low53.8Low85 Ų8579 Ų7952%0.51545%0.445SS..Hα-helixtrans-61.6-38.5177.4173.30000111.5I625 S633I625-V629 HydrophobicContact CG2-CG2 3.91Å; I625-V629 WeakPolarHBondContact O-CB 3.38Å; I625-V629 WeakPolarHBondContact O-CG2 3.3Å; I625-V629 PolarHBondContact O-N 3.06Å; V629-S633 VanDerWaalsContact O-CB 3.29Å; V629-S633 WeakPolarHBondContact O-CB 3.16Å; V629-S633 PolarHBondContact O-N 3.43Å
630K55.5Low53.6Low140 Ų14080.5 Ų80.561%0.60945%0.453SS*.Hα-helixtrans-64.1-41.1172.1-80.1172.5178.9170.30112.6S626 G627 I628 S633 L634S626-K630 WeakPolarHBondContact O-CB 3.44Å; S626-K630 WeakPolarHBondContact O-CD 3.45Å; S626-K630 VanDerWaalsContact O-CG 3.23Å; S626-K630 WeakPolarHBondContact O-CG 3.41Å; S626-K630 PolarHBondContact O-N 2.9Å; S626-K630 VanDerWaalsContact O-N 3.14Å; G627-K630 PolarHBondContact O-N 2.8Å; I628-K630 VanDerWaalsContact C-N 3.32Å; I628-K630 PolarHBondContact O-N 2.96Å; K630-S633 PolarHBondContact O-N 3.16Å; K630-L634 WeakPolarHBondContact O-CB 3.38Å; K630-L634 PolarHBondContact O-N 3.28Å
631S55.4Low53.5Low22 Ų2284.2 Ų84.215%0.15447%0.47CS..Hα-helixtrans-68.6-39.1177.367.60000113.1G627 I628 L634 L635G627-S631 PolarHBondContact O-N 3.28Å; I628-S631 PolarHBondContact O-N 3.14Å; I628-S631 VanDerWaalsContact O-N 3.07Å; I628-S631 PolarHBondContact O-OG 3.36Å; S631-L634 WeakPolarHBondContact O-CB 3.35Å; S631-L634 PolarHBondContact O-N 3.25Å; S631-L635 WeakPolarHBondContact O-CB 3.36Å; S631-L635 PolarHBondContact O-N 3.46Å
632M51.2Low53.2Low105 Ų10586.2 Ų86.252%0.51749%0.485SS..Hα-helixtrans-66.2-40.5173.7-75.3167.260.100111.8I628 L635 M636I628-M632 HydrophobicContact CG2-SD 3.8Å; I628-M632 PolarHBondContact O-N 3.3Å; M632-L635 WeakPolarHBondContact O-CB 3.41Å; M632-L635 PolarHBondContact O-N 3.48Å; M632-M636 WeakPolarHBondContact O-CG 3.36Å; M632-M636 PolarHBondContact O-N 2.72Å
633S56.9Low52.8Low74 Ų7489.3 Ų89.352%0.51751%0.505SS..Hα-helixtrans-59-47.2172.3-1770000111.4V629 K630 L635 M636 T637V629-S633 VanDerWaalsContact O-CB 3.29Å; V629-S633 WeakPolarHBondContact O-CB 3.16Å; V629-S633 PolarHBondContact O-N 3.43Å; K630-S633 PolarHBondContact O-N 3.16Å; S633-L635 PolarHBondContact O-N 3.12Å; S633-M636 PolarHBondContact O-N 2.85Å; S633-T637 PolarHBondContact O-N 3.06Å; S633-T637 PolarHBondContact O-OG1 2.88Å
634L56.8Low52.2Low105 Ų10597.1 Ų97.155%0.5552%0.519SS..Hα-helixtrans-58.8-43.6173.4-102.7158.8000112.4K630 S631 M636 T637 N638K630-L634 WeakPolarHBondContact O-CB 3.38Å; K630-L634 PolarHBondContact O-N 3.28Å; S631-L634 WeakPolarHBondContact O-CB 3.35Å; S631-L634 PolarHBondContact O-N 3.25Å; L634-M636 PolarHBondContact O-N 2.81Å; L634-T637 WeakPolarHBondContact CA-OG1 3.46Å; L634-T637 PolarHBondContact O-N 3.33Å; L634-T637 PolarHBondContact O-OG1 2.88Å; L634-N638 PolarHBondContact O-N 3.34Å; L634-N638 VanDerWaalsContact O-N 3.1Å; L634-N638 PolarHBondContact O-ND2 3.04Å
635L56.5Low51.1Low42 Ų42101.3 Ų101.322%0.2255%0.554CS.*Hα-helixtrans-60.7-46177.5-132.4170.6000111.2L596 V601 S631 M632 S633 T637 N638 L639L596-L635 HydrophobicContact CD1-CD1 3.73Å; L596-L635 HydrophobicContact CD2-CD1 3.81Å; L596-L635 HydrophobicContact CG-CD1 4.43Å; V601-L635 HydrophobicContact CG2-CD1 3.89Å; V601-L635 HydrophobicContact CG2-CG 4.17Å; S631-L635 WeakPolarHBondContact O-CB 3.36Å; S631-L635 PolarHBondContact O-N 3.46Å; M632-L635 WeakPolarHBondContact O-CB 3.41Å; M632-L635 PolarHBondContact O-N 3.48Å; S633-L635 PolarHBondContact O-N 3.12Å; L635-T637 PolarHBondContact O-N 3.37Å; L635-N638 PolarHBondContact O-N 3.46Å; L635-L639 HydrophobicContact CD2-CD1 4.06Å; L635-L639 HydrophobicContact CD2-CG 4.5Å; L635-L639 PolarHBondContact O-N 2.87Å
636M51.3Low50.2Low125 Ų125108 Ų10862%0.61658%0.581SS**Hα-helixtrans-62-40.4175.9-71.1-57.4-58.300112.5M632 S633 L634 N638 L639M632-M636 WeakPolarHBondContact O-CG 3.36Å; M632-M636 PolarHBondContact O-N 2.72Å; S633-M636 PolarHBondContact O-N 2.85Å; L634-M636 PolarHBondContact O-N 2.81Å; M636-N638 VanDerWaalsContact C-N 3.32Å; M636-N638 PolarHBondContact O-N 3.22Å; M636-L639 PolarHBondContact O-N 2.84Å
637T54.8Low49Very low85 Ų85114 Ų11452%0.52161%0.605SS.*Hα-helixtrans-69.3-24.5176.953.60000114.4S633 L634 L635 T640S633-T637 PolarHBondContact O-N 3.06Å; S633-T637 PolarHBondContact O-OG1 2.88Å; L634-T637 WeakPolarHBondContact CA-OG1 3.46Å; L634-T637 PolarHBondContact O-N 3.33Å; L634-T637 PolarHBondContact O-OG1 2.88Å; L635-T637 PolarHBondContact O-N 3.37Å; T637-T640 PolarHBondContact O-OG1 2.74Å
638N47.7Very low48.1Very low110 Ų110116.9 Ų116.959%0.58862%0.616SS**Hα-helixtrans-85.6-10.5176.7-75.6-77.2000113.2L634 L635 M636L634-N638 PolarHBondContact O-N 3.34Å; L634-N638 VanDerWaalsContact O-N 3.1Å; L634-N638 PolarHBondContact O-ND2 3.04Å; L635-N638 PolarHBondContact O-N 3.46Å; M636-N638 VanDerWaalsContact C-N 3.32Å; M636-N638 PolarHBondContact O-N 3.22Å
639L50.4Low46.9Very low125 Ų125121 Ų12165%0.65464%0.639SS**SBendtrans-88.5-8.3174.6-74.9165.1000113.2L635 M636L635-L639 HydrophobicContact CD2-CD1 4.06Å; L635-L639 HydrophobicContact CD2-CG 4.5Å; L635-L639 PolarHBondContact O-N 2.87Å; M636-L639 PolarHBondContact O-N 2.84Å
640T46.3Very low45.8Very low100 Ų100122.1 Ų122.161%0.61365%0.646SS**  trans-98.928.9-17147.30000115.3T637 Q642T637-T640 PolarHBondContact O-OG1 2.74Å; T640-Q642 VanDerWaalsContact C-N 3.33Å; T640-Q642 PolarHBondContact O-N 2.79Å
641D48Very low45.1Very low163 Ų163123.2 Ų123.287%0.87265%0.653SS**  trans-92.525.8-177.4-121.212.2000114.1
642Q40.6Very low44.3Very low172 Ų172128.3 Ų128.380%0.80468%0.678SS**SBendtrans-118.9136.3166.3-71.5-160.83.300111.7T640 Y644T640-Q642 VanDerWaalsContact C-N 3.33Å; T640-Q642 PolarHBondContact O-N 2.79Å; Q642-Y644 VanDerWaalsContact C-N 3.34Å; Q642-Y644 PolarHBondContact O-N 3.37Å; Q642-Y644 VanDerWaalsContact O-N 3.15Å
643P43.5Very low43.5Very low115 Ų115129.4 Ų129.475%0.74769%0.685SS**SBendtrans-80.52.3-157.329.6-36.6000117
644Y40.9Very low42.6Very low217 Ų217130.2 Ų130.285%0.85169%0.686SS**SBendtrans-137.677.7-173.6-85.3-83.6000114.4Q642Q642-Y644 VanDerWaalsContact C-N 3.34Å; Q642-Y644 PolarHBondContact O-N 3.37Å; Q642-Y644 VanDerWaalsContact O-N 3.15Å
645C34.3Very low41.7Very low136 Ų136130 Ų13092%0.91969%0.69SS**  trans-167.4108.4136-100.80000110.1
646K34.5Very low40.6Very low209 Ų209137.1 Ų137.191%0.90972%0.719SS**  trans-104.9129.5173.2-67-178.4179.8179.70109.7
647M28.3Very low39.9Very low182 Ų182135.1 Ų135.190%0.89772%0.717SS**  trans-122.2145.2152.2-91.7-177.166.400109.6
648P37.3Very low38.7Very low101 Ų101139.5 Ų139.566%0.65673%0.732SS**  trans-97.6103.6-163.235.7-32.8000113.7T650P648-T650 PolarHBondContact O-N 3.26Å
649N35.1Very low38.1Very low128 Ų128138.8 Ų138.868%0.68474%0.741SS**  trans-9469.1165.2-80.3-5.5000110.8E651N649-E651 VanDerWaalsContact C-N 3.28Å; N649-E651 PolarHBondContact O-N 2.84Å
650T37.1Very low37.2Very low108 Ų108138.9 Ų138.966%0.66375%0.749SS**  trans-79.1-6.3-174.1-33.40000114P648P648-T650 PolarHBondContact O-N 3.26Å
651E39.3Very low36.5Very low163 Ų163141.4 Ų141.476%0.76276%0.759SS**SBendtrans-109.1-13.6-171.3-59.8-169.4153.400115N649 T654N649-E651 VanDerWaalsContact C-N 3.28Å; N649-E651 PolarHBondContact O-N 2.84Å; E651-T654 PolarHBondContact O-OG1 3.06Å
652L39.1Very low35.7Very low129 Ų129143.8 Ų143.868%0.67576%0.756SS**SBendtrans-89.1-8.9179.3-75.5172.4000114.5
653I35.2Very low35.9Very low129 Ų129144.3 Ų144.366%0.66276%0.758SS**SBendtrans-93.6-31.1-178.9-63.8177.3000111.5V655 F656 S657I653-V655 VanDerWaalsContact C-N 3.31Å; I653-V655 PolarHBondContact O-N 3.19Å; I653-F656 PolarHBondContact O-N 3.01Å; I653-S657 PolarHBondContact O-OG 3.35Å
654T37.9Very low35.7Very low90 Ų90145 Ų14555%0.55275%0.754SS**G310 helixtrans-66.7-27.7-178.545.50000113.8E651 F656E651-T654 PolarHBondContact O-OG1 3.06Å; T654-F656 VanDerWaalsContact C-N 3.28Å; T654-F656 PolarHBondContact O-N 2.65Å
655V37.3Very low35.8Very low102 Ų102138.4 Ų138.462%0.61874%0.74SS**G310 helixtrans-65.7-27.2-178.7-178.90000112.9I653I653-V655 VanDerWaalsContact C-N 3.31Å; I653-V655 PolarHBondContact O-N 3.19Å
656F34.7Very low36Very low190 Ų190138.2 Ų138.283%0.83373%0.73SS**G310 helixtrans-11510.3-172.8-68.5-72.7000114.8I653 T654I653-F656 PolarHBondContact O-N 3.01Å; T654-F656 VanDerWaalsContact C-N 3.28Å; T654-F656 PolarHBondContact O-N 2.65Å
657S35.4Very low36.4Very low83 Ų83137 Ų13758%0.5872%0.719SS**  trans-139.456.3-179.272.90000114.4I653I653-S657 PolarHBondContact O-OG 3.35Å
658Q30.4Very low37Very low178 Ų178132.9 Ų132.983%0.83271%0.705SS**  trans-124.1125.9153.8-67.5-165.34.100109.7
659A35.5Very low37.3Very low95 Ų95137.3 Ų137.379%0.78571%0.708SS**  trans-90.8127.9-175.200000111.5D661A659-D661 PolarHBondContact O-N 2.64Å; A659-D661 VanDerWaalsContact O-N 3.13Å
660P31.5Very low37.8Very low126 Ų126139.6 Ų139.682%0.81871%0.707SS**  trans-87.870.8179.735.3-35.3000111.9R662P660-R662 VanDerWaalsContact C-N 3.3Å; P660-R662 PolarHBondContact O-N 2.75Å
661D31.2Very low38.3Very low153 Ų153139.3 Ų139.382%0.81870%0.698SS**  trans-79.877.4171.9-166.48.3000111.4A659A659-D661 PolarHBondContact O-N 2.64Å; A659-D661 VanDerWaalsContact O-N 3.13Å
662R31.4Very low38.5Very low213 Ų213134.8 Ų134.880%0.80469%0.685SS**  trans-16474.2166-115.5168.4-169.9-161.50.7113.8P660 I664P660-R662 VanDerWaalsContact C-N 3.3Å; P660-R662 PolarHBondContact O-N 2.75Å; R662-I664 PolarHBondContact O-N 3.25Å
663Q44.1Very low38.9Very low184 Ų184132.2 Ų132.286%0.8667%0.671SS**THydrogen-bonded Turntrans-71.230.3176.2-64-173.2-30.800115.2
664I39.8Very low39.4Very low128 Ų128131 Ų13166%0.65666%0.662SS**THydrogen-bonded Turntrans-115.4-30.5-165.8-62.1-179.2000114.1R662 N666R662-I664 PolarHBondContact O-N 3.25Å; I664-N666 PolarHBondContact O-N 2.92Å
665S42.4Very low39.7Very low80 Ų80131.9 Ų131.956%0.55966%0.664SS**Hα-helixtrans-71.6-31.5-178.657.50000114.2
666N39.5Very low40.2Very low131 Ų131132.3 Ų132.370%0.70166%0.659SS**Hα-helixtrans-94.51-166.5-65.98.2000114.3I664I664-N666 PolarHBondContact O-N 2.92Å
667R41.5Very low41Very low183 Ų183128.2 Ų128.269%0.69165%0.645SS**Hα-helixtrans-86-54.5165.9-102.7-171.4173.4-164.1-4.7111.4R669 R670 E671R667-R669 PolarHBondContact O-N 2.8Å; R667-R670 WeakPolarHBondContact O-CA 3.46Å; R667-R670 WeakPolarHBondContact O-CB 3.37Å; R667-R670 PolarHBondContact O-N 3.19Å; R667-E671 PolarHBondContact O-N 2.72Å
668V40.7Very low41.2Very low97 Ų97132 Ų13259%0.58865%0.653SS**Hα-helixtrans-54.3-40.2-179.4-175.80000111.9R670 S672V668-R670 VanDerWaalsContact C-N 3.3Å; V668-R670 PolarHBondContact O-N 2.93Å; V668-S672 WeakPolarHBondContact O-CB 3.25Å; V668-S672 PolarHBondContact O-N 2.91Å
669R44.6Very low42Very low193 Ų193131 Ų13173%0.72865%0.649SS**Hα-helixtrans-73.7-16.4177.9-160.8170.7-170.51744.8114.4R667 I673R667-R669 PolarHBondContact O-N 2.8Å; R669-I673 HydrophobicContact CG-CD1 4.29Å; R669-I673 VanDerWaalsContact O-CD1 3.27Å; R669-I673 WeakPolarHBondContact O-CD1 3.19Å; R669-I673 VanDerWaalsContact O-CG1 3.23Å; R669-I673 WeakPolarHBondContact O-CG1 3.32Å
670R46Very low42.6Very low177 Ų177134.4 Ų134.467%0.66865%0.646SS**Hα-helixtrans-87.2-47.7175.4-155.9-176.2-158.6126.79.6110.8R667 V668 S672 I673 E674R667-R670 WeakPolarHBondContact O-CA 3.46Å; R667-R670 WeakPolarHBondContact O-CB 3.37Å; R667-R670 PolarHBondContact O-N 3.19Å; V668-R670 VanDerWaalsContact C-N 3.3Å; V668-R670 PolarHBondContact O-N 2.93Å; R670-S672 VanDerWaalsContact C-N 3.31Å; R670-S672 PolarHBondContact O-N 3.21Å; R670-I673 PolarHBondContact O-N 3.2Å; R670-E674 WeakPolarHBondContact CG-OE1 3.43Å; R670-E674 IonicContact NE-OE1 2.7Å; R670-E674 WeakPolarHBondContact O-CG 3.49Å; R670-E674 PolarHBondContact O-N 2.7Å
671E46Very low43.2Very low101 Ų101131.6 Ų131.647%0.47264%0.64SS.*Hα-helixtrans-57.7-44.8173.3-69.9156.417200110.1R667 I673 E674 D675R667-E671 PolarHBondContact O-N 2.72Å; E671-I673 VanDerWaalsContact C-N 3.28Å; E671-I673 PolarHBondContact O-N 3.49Å; E671-E674 PolarHBondContact O-N 2.69Å; E671-D675 WeakPolarHBondContact O-CB 3.44Å; E671-D675 PolarHBondContact O-N 2.62Å
672S43.8Very low43.5Very low69 Ų69129.9 Ų129.948%0.48364%0.635SS.*Hα-helixtrans-63.4-23.4175-177.10000115.4V668 R670 E676V668-S672 WeakPolarHBondContact O-CB 3.25Å; V668-S672 PolarHBondContact O-N 2.91Å; R670-S672 VanDerWaalsContact C-N 3.31Å; R670-S672 PolarHBondContact O-N 3.21Å; S672-E676 VanDerWaalsContact O-CB 3.3Å; S672-E676 WeakPolarHBondContact O-CB 3.44Å; S672-E676 PolarHBondContact O-N 3.38Å
673I47.5Very low44Very low75 Ų75122.6 Ų122.639%0.38562%0.616SS.*Hα-helixtrans-89.9-34.2176.5-72.5172.3000110.3R669 R670 E671 E676 I677R669-I673 HydrophobicContact CG-CD1 4.29Å; R669-I673 VanDerWaalsContact O-CD1 3.27Å; R669-I673 WeakPolarHBondContact O-CD1 3.19Å; R669-I673 VanDerWaalsContact O-CG1 3.23Å; R669-I673 WeakPolarHBondContact O-CG1 3.32Å; R670-I673 PolarHBondContact O-N 3.2Å; E671-I673 VanDerWaalsContact C-N 3.28Å; E671-I673 PolarHBondContact O-N 3.49Å; I673-E676 PolarHBondContact O-N 2.97Å; I673-I677 HydrophobicContact CG2-CD1 3.89Å; I673-I677 WeakPolarHBondContact O-CB 3.44Å; I673-I677 WeakPolarHBondContact O-CD1 3.44Å; I673-I677 VanDerWaalsContact O-CG1 3.24Å; I673-I677 WeakPolarHBondContact O-CG1 3.45Å; I673-I677 PolarHBondContact O-N 2.95Å
674E46.5Very low43.8Very low102 Ų102120 Ų12048%0.47761%0.613SS.*Hα-helixtrans-66.4-39.9173.2-71.7167.4-166.900110.4R670 E671 H678R670-E674 WeakPolarHBondContact CG-OE1 3.43Å; R670-E674 IonicContact NE-OE1 2.7Å; R670-E674 WeakPolarHBondContact O-CG 3.49Å; R670-E674 PolarHBondContact O-N 2.7Å; E671-E674 PolarHBondContact O-N 2.69Å; E674-H678 PolarHBondContact O-CD2 2.76Å; E674-H678 PolarHBondContact O-N 3.3Å
675D44.7Very low44Very low109 Ų109124.3 Ų124.358%0.58362%0.621SS**Hα-helixtrans-65.3-41.8170.8-75-28.1000112.8E671 H678 Q679E671-D675 WeakPolarHBondContact O-CB 3.44Å; E671-D675 PolarHBondContact O-N 2.62Å; D675-H678 CarbonylContact O-C 3.52Å; D675-H678 PolarHBondContact O-N 2.74Å; D675-Q679 WeakPolarHBondContact O-CB 3.36Å; D675-Q679 PolarHBondContact O-N 2.89Å
676E47.9Very low44.1Very low111 Ų111124.5 Ų124.552%0.51962%0.618SS.*Hα-helixtrans-63.7-40.5177.3-176.3171.4-141.500111.9S672 I673 H678 Q679 F680S672-E676 VanDerWaalsContact O-CB 3.3Å; S672-E676 WeakPolarHBondContact O-CB 3.44Å; S672-E676 PolarHBondContact O-N 3.38Å; I673-E676 PolarHBondContact O-N 2.97Å; E676-H678 VanDerWaalsContact C-N 3.35Å; E676-Q679 PolarHBondContact O-N 3.42Å; E676-Q679 VanDerWaalsContact O-N 3.13Å; E676-F680 PolarHBondContact O-N 2.9Å
677I50Low44.1Very low105 Ų105124 Ų12454%0.53862%0.615SS.*Hα-helixtrans-65.8-37.6172.9-70.2166000111.1I673 Q679 F680 G681I673-I677 HydrophobicContact CG2-CD1 3.89Å; I673-I677 WeakPolarHBondContact O-CB 3.44Å; I673-I677 WeakPolarHBondContact O-CD1 3.44Å; I673-I677 VanDerWaalsContact O-CG1 3.24Å; I673-I677 WeakPolarHBondContact O-CG1 3.45Å; I673-I677 PolarHBondContact O-N 2.95Å; I677-Q679 VanDerWaalsContact C-N 3.26Å; I677-Q679 PolarHBondContact O-N 3.28Å; I677-F680 PolarHBondContact O-N 3.36Å; I677-G681 PolarHBondContact O-N 3.16Å
678H41.3Very low43.9Very low162 Ų162123.5 Ų123.575%0.7561%0.613SS**Hα-helixtrans-68.2-23.8172.4-85.6-61.9000113.4E674 D675 E676E674-H678 PolarHBondContact O-CD2 2.76Å; E674-H678 PolarHBondContact O-N 3.3Å; D675-H678 CarbonylContact O-C 3.52Å; D675-H678 PolarHBondContact O-N 2.74Å; E676-H678 VanDerWaalsContact C-N 3.35Å
679Q45.8Very low44Very low158 Ų158122 Ų12274%0.73861%0.607SS**Hα-helixtrans-82.9-21.5178-158.4162.325.800113.6D675 E676 I677D675-Q679 WeakPolarHBondContact O-CB 3.36Å; D675-Q679 PolarHBondContact O-N 2.89Å; E676-Q679 PolarHBondContact O-N 3.42Å; E676-Q679 VanDerWaalsContact O-N 3.13Å; I677-Q679 VanDerWaalsContact C-N 3.26Å; I677-Q679 PolarHBondContact O-N 3.28Å
680F47.8Very low43.8Very low165 Ų165118.1 Ų118.172%0.72460%0.6SS**Hα-helixtrans-11511179.1-72.7-77.8000116.1E676 I677 V682E676-F680 PolarHBondContact O-N 2.9Å; I677-F680 PolarHBondContact O-N 3.36Å; F680-V682 PolarHBondContact O-N 3.06Å
681G45.3Very low43.4Very low67 Ų67118.5 Ų118.569%0.69161%0.607SS**  trans77.511.1135.700000120.5I677I677-G681 PolarHBondContact O-N 3.16Å
682V37.3Very low43.1Very low118 Ų118119.7 Ų119.772%0.71561%0.613SS**  trans-117.7130.4176.3-170.10000111.9F680F680-V682 PolarHBondContact O-N 3.06Å
683S41.4Very low42.9Very low59 Ų59124.4 Ų124.441%0.41363%0.625SS.*  trans-128.2145.5174.794.60000111.9R685 T686S683-R685 PolarHBondContact O-N 3.27Å; S683-R685 PolarHBondContact OG-N 2.81Å; S683-T686 PolarHBondContact O-N 3.05Å; S683-T686 PolarHBondContact O-OG1 2.91Å; S683-T686 PolarHBondContact OG-OG1 3.32Å
684V40.5Very low42.4Very low130 Ų130129 Ų12979%0.78865%0.645SS**Hα-helixtrans-60.2-18.8-179.1-178.10000113.1
685R43.3Very low41.7Very low219 Ų219131.8 Ų131.883%0.82666%0.663SS**Hα-helixtrans-73-26.4175.5-68.3-179.4177.3158.51.2113.3S683 S689S683-R685 PolarHBondContact O-N 3.27Å; S683-R685 PolarHBondContact OG-N 2.81Å; R685-S689 PolarHBondContact O-N 3.43Å
686T44.7Very low40.9Very low83 Ų83133 Ų13351%0.50967%0.674SS.*Hα-helixtrans-75.2-38.7-176.2-33.80000111.7S683 S689S683-T686 PolarHBondContact O-N 3.05Å; S683-T686 PolarHBondContact O-OG1 2.91Å; S683-T686 PolarHBondContact OG-OG1 3.32Å; T686-S689 PolarHBondContact O-N 3.4Å
687L40.5Very low39.8Very low121 Ų121132.6 Ų132.663%0.63468%0.684SS**Hα-helixtrans-61.9-47176.7-82.8160000112.4S689 N690 F691L687-S689 VanDerWaalsContact C-N 3.3Å; L687-S689 PolarHBondContact O-N 2.94Å; L687-N690 PolarHBondContact O-N 3.11Å; L687-F691 PolarHBondContact O-N 3.18Å
688R37Very low38.8Very low173 Ų173134.7 Ų134.765%0.65370%0.695SS**Hα-helixtrans-63.8-34.3-178.3-168.4170.8-178142.69113.1N690 F691 E692R688-N690 PolarHBondContact O-N 2.98Å; R688-F691 PolarHBondContact O-N 3.05Å; R688-E692 WeakPolarHBondContact CG-OE1 3.39Å; R688-E692 IonicContact CZ-OE1 3.44Å; R688-E692 IonicContact NE-OE1 3.14Å; R688-E692 PolarHBondContact NE-OE1 3.27Å; R688-E692 IonicContact NH2-OE1 3.69Å; R688-E692 PolarHBondContact NH2-OE1 3.09Å; R688-E692 PolarHBondContact O-N 3.2Å
689S41.5Very low38.1Very low64 Ų64135.3 Ų135.345%0.44870%0.703SS.*Hα-helixtrans-68.8-15179-176.70000114.6R685 T686 L687R685-S689 PolarHBondContact O-N 3.43Å; T686-S689 PolarHBondContact O-N 3.4Å; L687-S689 VanDerWaalsContact C-N 3.3Å; L687-S689 PolarHBondContact O-N 2.94Å
690N40.5Very low37Very low112 Ų112133.7 Ų133.760%0.59970%0.7SS**Hα-helixtrans-93.1-40.1176.9-73.1-6.6000111.4L687 R688 E692 K693L687-N690 PolarHBondContact O-N 3.11Å; R688-N690 PolarHBondContact O-N 2.98Å; N690-E692 PolarHBondContact O-N 3.29Å; N690-K693 PolarHBondContact O-N 2.78Å
691F38.2Very low35.9Very low185 Ų185132.6 Ų132.681%0.81170%0.697SS**Hα-helixtrans-62.5-38.3179.1-112.7-93.3000113.3L687 R688 K693L687-F691 PolarHBondContact O-N 3.18Å; R688-F691 PolarHBondContact O-N 3.05Å; F691-K693 PolarHBondContact O-N 3.4Å; F691-K693 VanDerWaalsContact O-N 3.1Å
692E40.2Very low34.9Very low127 Ų127136.1 Ų136.159%0.59370%0.695SS**THydrogen-bonded Turntrans-77.211.6-177-66.1175.5-178.100113.8R688 N690R688-E692 WeakPolarHBondContact CG-OE1 3.39Å; R688-E692 IonicContact CZ-OE1 3.44Å; R688-E692 IonicContact NE-OE1 3.14Å; R688-E692 PolarHBondContact NE-OE1 3.27Å; R688-E692 IonicContact NH2-OE1 3.69Å; R688-E692 PolarHBondContact NH2-OE1 3.09Å; R688-E692 PolarHBondContact O-N 3.2Å; N690-E692 PolarHBondContact O-N 3.29Å
693K39.4Very low34.4Very low168 Ų168139 Ų13973%0.7370%0.701SS**THydrogen-bonded Turntrans-120.7-5.4-172.3-102.8-178.1173.8177.90117.9N690 F691N690-K693 PolarHBondContact O-N 2.78Å; F691-K693 PolarHBondContact O-N 3.4Å; F691-K693 VanDerWaalsContact O-N 3.1Å
694Q35.8Very low33.5Very low171 Ų171145 Ų14580%0.79972%0.722SS**THydrogen-bonded Turntrans-111-23.7-175.9-77.8-177.4-40.300115.8
695N32.7Very low32.7Very low161 Ų161143.9 Ų143.986%0.86172%0.72SS**SBendtrans-101.717.9-170.4-95.91.7000116.7
696T27.3Very low31.8Very low133 Ų133139.6 Ų139.682%0.81672%0.718SS**  trans-13369.9168.660.40000111.9
697S25.9Very low30.8Very low103 Ų103139.7 Ų139.772%0.7273%0.727SS**SBendtrans-140.4105.9160-1540000110.1
698L27.1Very low29.9Very low150 Ų150142.9 Ų142.979%0.78574%0.736SS**  trans66.193.5164-51.1176.5000117.8
699L27Very low29.2Very low175 Ų175138.9 Ų138.992%0.91673%0.734SS**  -114.4158112.9-82.4178.8000109.3
700D23.4Very low28.4Very low124 Ų124142.6 Ų142.666%0.66375%0.748SS**  trans73.3137.7-177.5-80-38.5000118.1
701H24.1Very low27.7Very low142 Ų142142.5 Ų142.566%0.65776%0.756SS**  cis-138.7146.412.7-97.4-33.5000114.9
702Q26.1Very low27.2Very low141 Ų141137.7 Ų137.766%0.65975%0.75SS**  trans65.4125.9134.1-64.3176-61.900124.3
703E24.8Very low26.7Very low178 Ų178139.5 Ų139.583%0.83276%0.759SS**  trans68.5164.2130.9-63.9-176.6175.300121.7
704E24.1Very low26.1Very low185 Ų185137.6 Ų137.686%0.86476%0.756SS**  trans-94.5120.3-155.7-60.6-178.1111.600115.2
705S23.2Very low25.6Very low106 Ų106135.9 Ų135.974%0.74175%0.752SS**  trans71.6156131.677.20000122.8
706V23.7Very low25.3Very low129 Ų129135 Ų13578%0.78275%0.748SS**  trans106.496.6156.9-174.10000118
707A24.7Very low25.3Very low85 Ų85132.4 Ų132.470%0.70274%0.739SS**  trans58152.2132.800000120.7
708F21.8Very low25.6Very low188 Ų188135.8 Ų135.883%0.82574%0.743SS**  cis-163.1153.4-2.1-136.5-137.7000109.1
709C22Very low25.7Very low90 Ų90135.9 Ų135.961%0.60874%0.744SS**  trans43.2151.5137.2-66.60000123
710L24.6Very low25.8Very low142 Ų142132.9 Ų132.974%0.74373%0.729SS**  cis-170.5142.6-4.4-118.9168.5000110.8
711S26.6Very low26.2Very low110 Ų110133.8 Ų133.877%0.76973%0.727SS**  trans61.2163.3152.8730000118.1
712A26.8Very low26.3Very low83 Ų83134.3 Ų134.369%0.68673%0.729SS**  cis-155.7170.77.100000108.5
713Q29.8Very low26.3Very low165 Ų165133.7 Ų133.777%0.77173%0.73SS**  cis-164-169.9-4.9-143.5178.6-9400108.5
714L26.8Very low26.3Very low129 Ų129134.4 Ų134.468%0.67573%0.725SS**  trans75.3154.6167.6-46.5-170.7000114.9
715D26.1Very low26.2Very low134 Ų134131.8 Ų131.872%0.71771%0.713SS**  cis-167.7157.1-19.9-97.4-10.1000105.7
716D25.1Very low26.2Very low144 Ų144134.5 Ų134.577%0.7772%0.718SS**  cis-161.9-173.7-8.9175.835.9000107.5
717A28.6Very low26.2Very low77 Ų77137.7 Ų137.764%0.63672%0.721SS**  trans80.481.5154.200000119.9
718H31.6Very low27.1Very low174 Ų174139 Ų13981%0.80672%0.723SS**  17.9149.3129.8-80.6-63.6000121.6
719L28.6Very low27.1Very low153 Ų153134.8 Ų134.880%0.80172%0.723SS**  -168.7116.159.1-171.569.9000116.8
720D29.3Very low27.2Very low111 Ų111135 Ų13559%0.59473%0.731SS**  62.3138.9129.4-147.726.1000126.4
721K32.1Very low27.2Very low144 Ų144137.6 Ų137.663%0.62674%0.739SS**  trans79.3108.4143.7-97.3174.2-159.768.90127.8
722Q25.7Very low27.2Very low152 Ų152136.3 Ų136.371%0.7174%0.736SS**  80.2131.8115-89.6-176.7-25.700126.6
723L26.4Very low27.1Very low128 Ų128139 Ų13967%0.6774%0.738SS**  trans89.3110.9132.6-79.5166.1000124.7
724R24.4Very low27Very low193 Ų193138 Ų13873%0.72873%0.734SS**  83126.1122.2-108-172.2167.3172.3-21.7125.8
725E23Very low26.8Very low131 Ų131138.3 Ų138.361%0.61274%0.736SS**  69.6134128.3-89.4165-152.600125.6
726L21.9Very low26.9Very low162 Ų162137.6 Ų137.685%0.84874%0.742SS**  trans82.9147.7143.5-68.3164.9000123.6
727K23.8Very low26.9Very low196 Ų196138.2 Ų138.285%0.85275%0.745SS**  trans-98.2-175.5164.9-51.6-179.4173.4-177.20109.2
728P44.6Very low27.1Very low113 Ų113140.1 Ų140.173%0.73475%0.753SS**  cis-139.3-179.8-4.243.7-26.1000116.9
729A21.8Very low26.8Very low99 Ų99135.7 Ų135.782%0.81876%0.755SS**  trans62.8138145.400000123.2
730A24.8Very low27Very low94 Ų94135.9 Ų135.978%0.77776%0.755SS**  156108.412600000115.4
731E23.8Very low26.8Very low197 Ų197136.9 Ų136.992%0.92176%0.76SS**  trans57146.9140.6-59.1-168.2172.600126.4
732A26.3Very low26.6Very low84 Ų84136.4 Ų136.469%0.69477%0.765SS**  trans85103.6149.700000121.5
733D25Very low26.7Very low139 Ų139134.9 Ų134.974%0.74376%0.762SS**  53.8137.7128.6-6929.2000121.2
734Q26.5Very low27.1Very low144 Ų144138.6 Ų138.667%0.67378%0.775SS**  cis-161.915813.5-129.2167.261.500112
735N23.4Very low27.5Very low136 Ų136133.5 Ų133.573%0.72777%0.769SS**  trans75.2125.9158.9-57.7-29.3000121.7
736S27.3Very low28.1Very low119 Ų119131.4 Ų131.483%0.83277%0.765SS**  trans82.5120144-59.10000122.2
737D25.6Very low28.8Very low156 Ų156127.7 Ų127.783%0.83476%0.758SS**  trans83.9140.6143.1-150.39.7000120.4
738S33.3Very low29.2Very low117 Ų117124.8 Ų124.882%0.81875%0.751SS**  trans60.3135.6-179.571.20000117.8
739G25.9Very low28.6Very low81 Ų81123.5 Ų123.584%0.83574%0.741SS**  trans17760.4-176.300000113.3
740I31.8Very low29.2Very low158 Ų158123.7 Ų123.781%0.8173%0.726SS**  trans-76.4138.1170.1-67165.2000108.6
741D25.7Very low29.7Very low132 Ų132126 Ų12671%0.70672%0.72SS**  trans-166.1141.2134.2-120.617.4000114.3
742N28.7Very low30.3Very low134 Ų134121 Ų12172%0.71770%0.703SS**  trans5394.4154.5-50.8-47.2000120.4
743D27.7Very low31Very low120 Ų120119 Ų11964%0.64268%0.681SS**  -154.394.4114.1-168.82.4000111S745 V746D743-S745 PolarHBondContact OD1-N 2.72Å; D743-S745 PolarHBondContact OD1-OG 3.17Å; D743-V746 WeakPolarHBondContact OD2-CG2 3.31Å
744E33.1Very low31.7Very low206 Ų206114.9 Ų114.996%0.96366%0.662SS**  trans-125.159.7173.7-157.9169.1-135.600109.5
745S33.1Very low32.3Very low86 Ų86114.4 Ų114.460%0.60166%0.663SS**  trans-135.1-14.9-179.669.20000115.7D743D743-S745 PolarHBondContact OD1-N 2.72Å; D743-S745 PolarHBondContact OD1-OG 3.17Å
746V36.3Very low33.3Very low87 Ų87114.7 Ų114.753%0.52766%0.655SS.*SBendtrans-84.6-22.2-166.1-178.20000114.3D743D743-V746 WeakPolarHBondContact OD2-CG2 3.31Å
747A36Very low34Very low83 Ų83111.5 Ų111.569%0.68663%0.626SS**Hα-helixtrans-66.3-48-170.600000114.1V749 Q750A747-V749 VanDerWaalsContact C-N 3.26Å; A747-V749 PolarHBondContact O-N 3.02Å; A747-Q750 WeakPolarHBondContact O-CB 3.4Å; A747-Q750 PolarHBondContact O-N 3.37Å
748D32.1Very low34.8Very low135 Ų135111.8 Ų111.872%0.72262%0.622SS**Hα-helixtrans-68.6-25.5-171.9-148.224.1000112.4
749V32.6Very low35.6Very low86 Ų86114.6 Ų114.652%0.52161%0.614SS.*Hα-helixtrans-74.4-29.1173.3-1770000111.5A747 T752 I753A747-V749 VanDerWaalsContact C-N 3.26Å; A747-V749 PolarHBondContact O-N 3.02Å; V749-T752 PolarHBondContact O-OG1 3.41Å; V749-I753 HydrophobicContact CG1-CD1 4.07Å; V749-I753 WeakPolarHBondContact O-CG1 3.41Å; V749-I753 PolarHBondContact O-N 3.26Å
750Q34.9Very low36.8Very low104 Ų104113.2 Ų113.249%0.48659%0.587SS.*Hα-helixtrans-74.2-36-175-168.467.70.700112.8A747 I753 S754A747-Q750 WeakPolarHBondContact O-CB 3.4Å; A747-Q750 PolarHBondContact O-N 3.37Å; Q750-I753 PolarHBondContact O-N 2.91Å; Q750-S754 PolarHBondContact O-N 3.24Å
751E34.2Very low37.5Very low143 Ų143106.6 Ų106.667%0.66856%0.555SS**Hα-helixtrans-67.2-40.3177.1-68.1-158.9141.200112.1I753 S754 L755E751-I753 PolarHBondContact O-N 3Å; E751-S754 PolarHBondContact O-N 3Å; E751-L755 PolarHBondContact O-N 3.1Å
752T37.3Very low38.4Very low91 Ų91105 Ų10556%0.55855%0.549SS*.Hα-helixtrans-68-21.3177.359.30000113.6V749V749-T752 PolarHBondContact O-OG1 3.41Å
753I41.2Very low39.3Very low43 Ų43103.1 Ų103.122%0.22154%0.539CS..Hα-helixtrans-78.7-41.4172.3-68.5169000111.5V749 Q750 E751 L755 R756V749-I753 HydrophobicContact CG1-CD1 4.07Å; V749-I753 WeakPolarHBondContact O-CG1 3.41Å; V749-I753 PolarHBondContact O-N 3.26Å; Q750-I753 PolarHBondContact O-N 2.91Å; E751-I753 PolarHBondContact O-N 3Å; I753-L755 VanDerWaalsContact C-N 3.28Å; I753-L755 PolarHBondContact O-N 3.18Å; I753-R756 WeakPolarHBondContact O-CB 3.44Å; I753-R756 PolarHBondContact O-N 3.48Å
754S39.8Very low40.4Very low51 Ų5198.4 Ų98.436%0.35751%0.512SS..Hα-helixtrans-60.4-37.2179.4-77.80000112.7Q750 E751 R756 K757Q750-S754 PolarHBondContact O-N 3.24Å; E751-S754 PolarHBondContact O-N 3Å; S754-R756 PolarHBondContact O-N 3.48Å; S754-R756 VanDerWaalsContact O-N 3.09Å; S754-K757 PolarHBondContact O-N 2.99Å
755L37.7Very low41.3Very low134 Ų13490.9 Ų90.970%0.70248%0.479SS*.THydrogen-bonded Turntrans-68.3-1.9175.6-65.3173.8000114.7E751 I753E751-L755 PolarHBondContact O-N 3.1Å; I753-L755 VanDerWaalsContact C-N 3.28Å; I753-L755 PolarHBondContact O-N 3.18Å
756R45.9Very low42Very low143 Ų14387.9 Ų87.954%0.5446%0.461SS..THydrogen-bonded Turntrans-86.8-24.6171.7-68.2-174.7173.9-159-2.5113.8I753 S754 E758 R759I753-R756 WeakPolarHBondContact O-CB 3.44Å; I753-R756 PolarHBondContact O-N 3.48Å; S754-R756 PolarHBondContact O-N 3.48Å; S754-R756 VanDerWaalsContact O-N 3.09Å; R756-E758 PolarHBondContact O-N 3.36Å; R756-R759 WeakPolarHBondContact O-CB 3.06Å; R756-R759 PolarHBondContact O-N 3.1Å
757K40.2Very low42.7Very low52 Ų5285.7 Ų85.723%0.22645%0.445CS..Hα-helixtrans-58.7-52.3-173.3-63.1173.7-170165.90112.1S754 R759 D892S754-K757 PolarHBondContact O-N 2.99Å; K757-R759 PolarHBondContact O-N 3.26Å; K757-R759 VanDerWaalsContact O-N 3.12Å; K757-D892 WeakPolarHBondContact CE-OD1 3.29Å; K757-D892 IonicContact NZ-OD1 3.19Å; K757-D892 PolarHBondContact NZ-OD1 2.94Å; K757-D892 IonicContact NZ-OD2 3.89Å; K757-D892 PolarHBondContact NZ-OD2 3.18Å
758E43.7Very low43.4Very low162 Ų16282.6 Ų82.676%0.75742%0.416SS*.Hα-helixtrans-62.9-20.2178.1-61.6-166.1148.700113.5R756 V762R756-E758 PolarHBondContact O-N 3.36Å; E758-V762 WeakPolarHBondContact O-CB 3.24Å; E758-V762 WeakPolarHBondContact O-CG2 3.46Å
759R50.7Low44.2Very low175 Ų17582.6 Ų82.666%0.6641%0.409SS*.Hα-helixtrans-77.4-43.7-175.6-84.6-175.4170.2-169.20.2113.2R756 K757 L763R756-R759 WeakPolarHBondContact O-CB 3.06Å; R756-R759 PolarHBondContact O-N 3.1Å; K757-R759 PolarHBondContact O-N 3.26Å; K757-R759 VanDerWaalsContact O-N 3.12Å; R759-L763 HydrophobicContact CB-CD1 4.09Å; R759-L763 WeakPolarHBondContact O-CA 3.47Å; R759-L763 WeakPolarHBondContact O-CB 3.43Å; R759-L763 WeakPolarHBondContact O-CD1 3.49Å; R759-L763 WeakPolarHBondContact O-CG 3.49Å; R759-L763 PolarHBondContact O-N 3.24Å
760I49.7Very low44.9Very low52 Ų5285.3 Ų85.327%0.26741%0.414SS..Hα-helixtrans-71.4-50.1-164.3-63.5178.5000111.9L763 F764 H902 W1014I760-L763 PolarHBondContact O-N 2.97Å; I760-F764 PolarHBondContact O-N 3.03Å; I760-H902 VanDerWaalsContact CD1-NE2 3.3Å; I760-H902 WeakPolarHBondContact CD1-NE2 3.38Å; I760-W1014 HydrophobicContact CG2-CZ2 4.18Å
761V47.8Very low45.5Very low20 Ų2081.7 Ų81.712%0.12140%0.4CS..Hα-helixtrans-67.2-39177.6179.40000111.3L763 F764 L765 E890V761-L763 PolarHBondContact O-N 2.77Å; V761-F764 PolarHBondContact O-N 3.14Å; V761-L765 HydrophobicContact CG1-CD1 3.82Å; V761-L765 HydrophobicContact CG1-CG 4.19Å; V761-L765 WeakPolarHBondContact O-CB 3.32Å; V761-L765 VanDerWaalsContact O-CG 3.32Å; V761-L765 WeakPolarHBondContact O-CG 3.36Å; V761-L765 PolarHBondContact O-N 3.46Å; V761-E890 HydrophobicContact CG2-CG 3.98Å
762V44.9Very low46.2Very low97 Ų9776.5 Ų76.559%0.58838%0.378SS*.Hα-helixtrans-71.9-27.9177-177.80000112.4E758 G766E758-V762 WeakPolarHBondContact O-CB 3.24Å; E758-V762 WeakPolarHBondContact O-CG2 3.46Å; V762-G766 WeakPolarHBondContact O-CA 3.3Å; V762-G766 PolarHBondContact O-N 3.42Å
763L47.5Very low46.5Very low96 Ų9676.6 Ų76.650%0.50337%0.369SS..Hα-helixtrans-75-38.4170.5-75.9169000111.6R759 I760 V761 H767R759-L763 HydrophobicContact CB-CD1 4.09Å; R759-L763 WeakPolarHBondContact O-CA 3.47Å; R759-L763 WeakPolarHBondContact O-CB 3.43Å; R759-L763 WeakPolarHBondContact O-CD1 3.49Å; R759-L763 WeakPolarHBondContact O-CG 3.49Å; R759-L763 PolarHBondContact O-N 3.24Å; I760-L763 PolarHBondContact O-N 2.97Å; V761-L763 PolarHBondContact O-N 2.77Å; L763-H767 WeakPolarHBondContact O-CA 3.39Å; L763-H767 WeakPolarHBondContact O-CB 3.49Å; L763-H767 PolarHBondContact O-N 2.84Å
764F49.9Very low46.5Very low20 Ų2077.9 Ų77.99%0.08838%0.379CS..Hα-helixtrans-63.4-59.8173.3-180-104.3000110.9I760 V761 G766 H767 W768 F886 F1011I760-F764 PolarHBondContact O-N 3.03Å; V761-F764 PolarHBondContact O-N 3.14Å; F764-G766 VanDerWaalsContact C-N 3.27Å; F764-G766 PolarHBondContact O-N 3.01Å; F764-H767 PolarHBondContact O-N 2.8Å; F764-W768 HydrophobicContact CE1-CE3 4.04Å; F764-W768 HydrophobicContact CE1-CZ3 4.18Å; F764-W768 WeakPolarHBondContact O-CB 3.45Å; F764-W768 PolarHBondContact O-N 3.32Å; F764-F886 HydrophobicContact CD1-CE2 4.37Å; F764-F886 HydrophobicContact CD1-CZ 4.19Å; F764-F886 HydrophobicContact CE1-CE2 4.03Å; F764-F886 AromaticContact CE1-CZ 3.89Å; F764-F886 HydrophobicContact CE1-CZ 3.89Å; F764-F886 HydrophobicContact CZ-CZ 4.35Å; F764-F1011 HydrophobicContact CE2-CD2 4.38Å; F764-F1011 AromaticContact CE2-CE2 3.64Å; F764-F1011 HydrophobicContact CE2-CE2 3.64Å; F764-F1011 HydrophobicContact CE2-CZ 4.16Å; F764-F1011 HydrophobicContact CZ-CE2 4.35Å
765L52.3Low46.7Very low49 Ų4978.1 Ų78.126%0.25738%0.378SS..Hα-helixtrans-60-37.7177.3-64.3178000112V761 W768 K769 M832V761-L765 HydrophobicContact CG1-CD1 3.82Å; V761-L765 HydrophobicContact CG1-CG 4.19Å; V761-L765 WeakPolarHBondContact O-CB 3.32Å; V761-L765 VanDerWaalsContact O-CG 3.32Å; V761-L765 WeakPolarHBondContact O-CG 3.36Å; V761-L765 PolarHBondContact O-N 3.46Å; L765-W768 HydrophobicContact CD2-CE3 3.99Å; L765-W768 HydrophobicContact CD2-CZ3 4.13Å; L765-K769 WeakPolarHBondContact O-CB 3.28Å; L765-K769 PolarHBondContact O-N 3.26Å; L765-M832 HydrophobicContact CD1-CE 4Å; L765-M832 HydrophobicContact CD2-CE 3.88Å; L765-M832 HydrophobicContact CD2-SD 3.89Å
766G48.2Very low47Very low22 Ų2274.9 Ų74.923%0.22736%0.364CS..Hα-helixtrans-73.8-36.718000000113.8V762 F764 K770V762-G766 WeakPolarHBondContact O-CA 3.3Å; V762-G766 PolarHBondContact O-N 3.42Å; F764-G766 VanDerWaalsContact C-N 3.27Å; F764-G766 PolarHBondContact O-N 3.01Å; G766-K770 WeakPolarHBondContact O-CB 3.46Å; G766-K770 WeakPolarHBondContact O-CG 3.33Å; G766-K770 PolarHBondContact O-N 3.48Å
767H50.4Low46.8Very low42 Ų4273 Ų7319%0.19436%0.364CS..Hα-helixtrans-73.6-45.5173-174.696000110.5L763 F764 K769 K770 S771 F1013L763-H767 WeakPolarHBondContact O-CA 3.39Å; L763-H767 WeakPolarHBondContact O-CB 3.49Å; L763-H767 PolarHBondContact O-N 2.84Å; F764-H767 PolarHBondContact O-N 2.8Å; H767-K769 VanDerWaalsContact C-N 3.29Å; H767-K769 PolarHBondContact O-N 3.11Å; H767-K770 CarbonylContact O-C 3.33Å; H767-K770 WeakPolarHBondContact O-CA 3.31Å; H767-K770 PolarHBondContact O-N 3.42Å; H767-S771 PolarHBondContact CD2-OG 3.08Å; H767-S771 PolarHBondContact NE2-OG 2.79Å; H767-S771 WeakPolarHBondContact O-CB 3.3Å; H767-S771 PolarHBondContact O-N 3.06Å; H767-S771 PolarHBondContact O-OG 3.26Å; H767-F1013 AromaticContact CE1-CD1 3.69Å; H767-F1013 AromaticContact CE1-CG 3.59Å; H767-F1013 AromaticContact CG-CD1 3.92Å; H767-F1013 AromaticContact ND1-CD1 3.38Å; H767-F1013 WeakPolarHBondContact ND1-CD1 3.36Å; H767-F1013 AromaticContact ND1-CE1 3.77Å; H767-F1013 AromaticContact ND1-CG 3.77Å
768W49.9Very low46.9Very low17 Ų1778.2 Ų78.26%0.06439%0.387CS..Hα-helixtrans-53.8-47.5174.2-171.624.7000111.1F764 L765 S771 V772 M831F764-W768 HydrophobicContact CE1-CE3 4.04Å; F764-W768 HydrophobicContact CE1-CZ3 4.18Å; F764-W768 WeakPolarHBondContact O-CB 3.45Å; F764-W768 PolarHBondContact O-N 3.32Å; L765-W768 HydrophobicContact CD2-CE3 3.99Å; L765-W768 HydrophobicContact CD2-CZ3 4.13Å; W768-S771 PolarHBondContact O-N 3.43Å; W768-V772 WeakPolarHBondContact O-CG2 3.44Å; W768-V772 PolarHBondContact O-N 3.09Å; W768-M831 HydrophobicContact CH2-CE 3.41Å; W768-M831 VanDerWaalsContact CH2-CE 3.41Å; W768-M831 HydrophobicContact CZ2-CE 3.76Å; W768-M831 HydrophobicContact CZ3-CE 4.48Å
769K49.5Very low47Very low136 Ų13673 Ų7359%0.59137%0.368SS*.Hα-helixtrans-57.4-50.8170.8-173.1174.3-177.2177.60111.9L765 H767 S771 V772 Y773L765-K769 WeakPolarHBondContact O-CB 3.28Å; L765-K769 PolarHBondContact O-N 3.26Å; H767-K769 VanDerWaalsContact C-N 3.29Å; H767-K769 PolarHBondContact O-N 3.11Å; K769-S771 VanDerWaalsContact C-N 3.34Å; K769-S771 PolarHBondContact O-N 3.38Å; K769-V772 PolarHBondContact O-N 3.25Å; K769-Y773 HydrophobicContact CG-CD2 3.98Å; K769-Y773 HydrophobicContact CG-CE2 3.75Å; K769-Y773 WeakPolarHBondContact O-CD2 3.26Å; K769-Y773 PolarHBondContact O-N 3.45Å
770K47.2Very low46.7Very low142 Ų14271.4 Ų71.462%0.61736%0.362SS*.Hα-helixtrans-63-33.3177.9-78.2170-179.3176.60113.4G766 H767 Y773 T774G766-K770 WeakPolarHBondContact O-CB 3.46Å; G766-K770 WeakPolarHBondContact O-CG 3.33Å; G766-K770 PolarHBondContact O-N 3.48Å; H767-K770 CarbonylContact O-C 3.33Å; H767-K770 WeakPolarHBondContact O-CA 3.31Å; H767-K770 PolarHBondContact O-N 3.42Å; K770-Y773 PolarHBondContact O-N 3.34Å; K770-T774 WeakPolarHBondContact O-CB 3.48Å; K770-T774 WeakPolarHBondContact O-CG2 3.21Å; K770-T774 PolarHBondContact O-N 2.85Å; K770-T774 PolarHBondContact O-OG1 3.45Å
771S48.3Very low46.3Very low29 Ų2972 Ų7220%0.20337%0.366CS..Hα-helixtrans-77.4-30.7-179.7-71.90000112H767 W768 K769 V775H767-S771 PolarHBondContact CD2-OG 3.08Å; H767-S771 PolarHBondContact NE2-OG 2.79Å; H767-S771 WeakPolarHBondContact O-CB 3.3Å; H767-S771 PolarHBondContact O-N 3.06Å; H767-S771 PolarHBondContact O-OG 3.26Å; W768-S771 PolarHBondContact O-N 3.43Å; K769-S771 VanDerWaalsContact C-N 3.34Å; K769-S771 PolarHBondContact O-N 3.38Å; S771-V775 WeakPolarHBondContact O-CG2 3.27Å
772V47.9Very low45.9Very low33 Ų3373.1 Ų73.120%0.238%0.377CS..Hα-helixtrans-63.8-42.4163172.90000111.3W768 K769W768-V772 WeakPolarHBondContact O-CG2 3.44Å; W768-V772 PolarHBondContact O-N 3.09Å; K769-V772 PolarHBondContact O-N 3.25Å
773Y43Very low46Very low93 Ų9372.4 Ų72.437%0.36537%0.373SS..Hα-helixtrans-74.3-42.1-178.5-78.9-66.2000114.6K769 K770 V775 T776 L777 R825K769-Y773 HydrophobicContact CG-CD2 3.98Å; K769-Y773 HydrophobicContact CG-CE2 3.75Å; K769-Y773 WeakPolarHBondContact O-CD2 3.26Å; K769-Y773 PolarHBondContact O-N 3.45Å; K770-Y773 PolarHBondContact O-N 3.34Å; Y773-V775 VanDerWaalsContact C-N 3.31Å; Y773-V775 PolarHBondContact O-N 3.12Å; Y773-T776 WeakPolarHBondContact O-CB 3.28Å; Y773-T776 PolarHBondContact O-N 3.2Å; Y773-T776 PolarHBondContact O-OG1 3.33Å; Y773-L777 PolarHBondContact O-N 3.37Å; Y773-R825 PolarHBondContact OH-NH2 3.05Å
774T41.8Very low45.9Very low70 Ų7072.1 Ų72.143%0.42937%0.369SS..Hα-helixtrans-66.2-29.5-174.646.70000113.7K770 T776 L777 K778K770-T774 WeakPolarHBondContact O-CB 3.48Å; K770-T774 WeakPolarHBondContact O-CG2 3.21Å; K770-T774 PolarHBondContact O-N 2.85Å; K770-T774 PolarHBondContact O-OG1 3.45Å; T774-T776 VanDerWaalsContact C-N 3.31Å; T774-T776 PolarHBondContact O-N 2.85Å; T774-L777 PolarHBondContact O-N 3.17Å; T774-K778 PolarHBondContact O-N 3.2Å
775V43.3Very low45.5Very low56 Ų5679.3 Ų79.334%0.33940%0.396SS..Hα-helixtrans-60.6-41.2171.3173.50000110.9S771 Y773 L777 S779 F821S771-V775 WeakPolarHBondContact O-CG2 3.27Å; Y773-V775 VanDerWaalsContact C-N 3.31Å; Y773-V775 PolarHBondContact O-N 3.12Å; V775-L777 VanDerWaalsContact C-N 3.33Å; V775-L777 PolarHBondContact O-N 3.47Å; V775-S779 WeakPolarHBondContact O-CB 3.41Å; V775-S779 PolarHBondContact O-N 3.13Å; V775-S779 VanDerWaalsContact O-N 3.11Å; V775-S779 PolarHBondContact O-OG 3Å; V775-F821 HydrophobicContact CG1-CE1 4.45Å; V775-F821 HydrophobicContact CG1-CE2 4.49Å; V775-F821 HydrophobicContact CG1-CZ 4.17Å
776T44.8Very low45.2Very low67 Ų6785.1 Ų85.141%0.41142%0.419SS..Hα-helixtrans-65.1-32.6-179.468.90000113.6Y773 T774 S779 R780Y773-T776 WeakPolarHBondContact O-CB 3.28Å; Y773-T776 PolarHBondContact O-N 3.2Å; Y773-T776 PolarHBondContact O-OG1 3.33Å; T774-T776 VanDerWaalsContact C-N 3.31Å; T774-T776 PolarHBondContact O-N 2.85Å; T776-S779 PolarHBondContact O-OG 2.89Å; T776-R780 WeakPolarHBondContact O-CB 3.36Å; T776-R780 PolarHBondContact O-N 3.23Å
777L42.9Very low44.9Very low102 Ų10291.9 Ų91.953%0.53445%0.447SS..Hα-helixtrans-73.7-54.1177-75165000111.4Y773 T774 V775 S779 R780 D781Y773-L777 PolarHBondContact O-N 3.37Å; T774-L777 PolarHBondContact O-N 3.17Å; V775-L777 VanDerWaalsContact C-N 3.33Å; V775-L777 PolarHBondContact O-N 3.47Å; L777-S779 PolarHBondContact O-N 3.39Å; L777-R780 WeakPolarHBondContact O-CB 3.41Å; L777-R780 PolarHBondContact O-N 2.65Å; L777-D781 VanDerWaalsContact O-CG 3.31Å; L777-D781 PolarHBondContact O-N 2.86Å
778K42.3Very low44.4Very low163 Ų16395 Ų9571%0.70947%0.473SS*.Hα-helixtrans-59.9-31.3-179.5-72.5-176.4177.3177.70112.9T774 A782T774-K778 PolarHBondContact O-N 3.2Å; K778-A782 WeakPolarHBondContact O-CB 3.42Å; K778-A782 PolarHBondContact O-N 2.78Å
779S45.1Very low43.9Very low53 Ų5398.8 Ų98.837%0.37150%0.502SS..Hα-helixtrans-72.7-4017357.50000112.9V775 T776 L777 A782 V783V775-S779 WeakPolarHBondContact O-CB 3.41Å; V775-S779 PolarHBondContact O-N 3.13Å; V775-S779 VanDerWaalsContact O-N 3.11Å; V775-S779 PolarHBondContact O-OG 3Å; T776-S779 PolarHBondContact O-OG 2.89Å; L777-S779 PolarHBondContact O-N 3.39Å; S779-A782 PolarHBondContact O-N 2.84Å; S779-V783 WeakPolarHBondContact O-CG2 3.42Å; S779-V783 PolarHBondContact O-N 2.68Å; S779-V783 VanDerWaalsContact O-N 3.09Å
780R43.9Very low43Very low140 Ų14095.8 Ų95.853%0.52851%0.51SS..Hα-helixtrans-62.2-47.4177.6-160.2-172.281.2120.422.5110.7T776 L777 A782 V783 E784T776-R780 WeakPolarHBondContact O-CB 3.36Å; T776-R780 PolarHBondContact O-N 3.23Å; L777-R780 WeakPolarHBondContact O-CB 3.41Å; L777-R780 PolarHBondContact O-N 2.65Å; R780-A782 PolarHBondContact O-N 3.24Å; R780-V783 PolarHBondContact O-N 3.09Å; R780-E784 IonicContact CZ-OE1 3.27Å; R780-E784 IonicContact CZ-OE2 2.8Å; R780-E784 IonicContact NE-OE1 3.05Å; R780-E784 PolarHBondContact NE-OE1 3.37Å; R780-E784 IonicContact NE-OE2 3.24Å; R780-E784 IonicContact NH1-OE1 3.25Å; R780-E784 PolarHBondContact NH1-OE1 3.42Å; R780-E784 VanDerWaalsContact NH2-CD 3.34Å; R780-E784 IonicContact NH2-OE1 2.75Å; R780-E784 PolarHBondContact NH2-OE1 2.86Å; R780-E784 IonicContact NH2-OE2 3.81Å; R780-E784 PolarHBondContact NH2-OE2 3.32Å; R780-E784 WeakPolarHBondContact O-CG 3.43Å; R780-E784 PolarHBondContact O-N 3.41Å
781D40.4Very low42.3Very low65 Ų6596.9 Ų96.935%0.34852%0.523SS..Hα-helixtrans-60.1-30177.3-58.3-16000112.4L777 R785L777-D781 VanDerWaalsContact O-CG 3.31Å; L777-D781 PolarHBondContact O-N 2.86Å; D781-R785 VanDerWaalsContact O-CB 3.32Å; D781-R785 WeakPolarHBondContact O-CB 3.41Å; D781-R785 WeakPolarHBondContact O-CG 3.18Å; D781-R785 PolarHBondContact O-N 3.18Å; D781-R785 VanDerWaalsContact O-N 3.13Å; D781-R785 PolarHBondContact O-NE 2.91Å; D781-R785 PolarHBondContact O-NH2 3.08Å
782A41Very low42Very low43 Ų43101.2 Ų101.236%0.35555%0.55SS.*Hα-helixtrans-79.8-27.4178.300000113.1K778 S779 R780 K786K778-A782 WeakPolarHBondContact O-CB 3.42Å; K778-A782 PolarHBondContact O-N 2.78Å; S779-A782 PolarHBondContact O-N 2.84Å; R780-A782 PolarHBondContact O-N 3.24Å; A782-K786 PolarHBondContact O-N 3.02Å
783V46.8Very low41Very low83 Ų83102.9 Ų102.950%0.50357%0.574SS.*Hα-helixtrans-78.5-45.3171.8174.70000110.4S779 R780 R785 K786 M787S779-V783 WeakPolarHBondContact O-CG2 3.42Å; S779-V783 PolarHBondContact O-N 2.68Å; S779-V783 VanDerWaalsContact O-N 3.09Å; R780-V783 PolarHBondContact O-N 3.09Å; V783-R785 VanDerWaalsContact C-N 3.32Å; V783-R785 PolarHBondContact O-N 3.47Å; V783-K786 PolarHBondContact O-N 3.25Å; V783-M787 HydrophobicContact CG1-CE 4.45Å; V783-M787 PolarHBondContact O-N 3.05Å
784E43.9Very low40.3Very low90 Ų90103.6 Ų103.642%0.42159%0.592SS.*Hα-helixtrans-58.8-42.5175.9-71.6176.2172.200111.1R780 K786 M787 S788R780-E784 IonicContact CZ-OE1 3.27Å; R780-E784 IonicContact CZ-OE2 2.8Å; R780-E784 IonicContact NE-OE1 3.05Å; R780-E784 PolarHBondContact NE-OE1 3.37Å; R780-E784 IonicContact NE-OE2 3.24Å; R780-E784 IonicContact NH1-OE1 3.25Å; R780-E784 PolarHBondContact NH1-OE1 3.42Å; R780-E784 VanDerWaalsContact NH2-CD 3.34Å; R780-E784 IonicContact NH2-OE1 2.75Å; R780-E784 PolarHBondContact NH2-OE1 2.86Å; R780-E784 IonicContact NH2-OE2 3.81Å; R780-E784 PolarHBondContact NH2-OE2 3.32Å; R780-E784 WeakPolarHBondContact O-CG 3.43Å; R780-E784 PolarHBondContact O-N 3.41Å; E784-K786 VanDerWaalsContact C-N 3.29Å; E784-K786 PolarHBondContact O-N 2.89Å; E784-M787 PolarHBondContact O-N 3.4Å; E784-S788 WeakPolarHBondContact O-CB 3.47Å; E784-S788 PolarHBondContact O-N 3.44Å; E784-S788 VanDerWaalsContact O-N 3.1Å
785R42Very low39.7Very low170 Ų170108 Ų10864%0.64261%0.607SS**Hα-helixtrans-65.6-22.9172.7-82176.2-74139.6-4.3114.9D781 V783D781-R785 VanDerWaalsContact O-CB 3.32Å; D781-R785 WeakPolarHBondContact O-CB 3.41Å; D781-R785 WeakPolarHBondContact O-CG 3.18Å; D781-R785 PolarHBondContact O-N 3.18Å; D781-R785 VanDerWaalsContact O-N 3.13Å; D781-R785 PolarHBondContact O-NE 2.91Å; D781-R785 PolarHBondContact O-NH2 3.08Å; V783-R785 VanDerWaalsContact C-N 3.32Å; V783-R785 PolarHBondContact O-N 3.47Å
786K46Very low39Very low172 Ų172111.1 Ų111.175%0.74862%0.623SS**Hα-helixtrans-85.7-30.9174.1-83.4-173.4172.9-175.10113.2A782 V783 E784A782-K786 PolarHBondContact O-N 3.02Å; V783-K786 PolarHBondContact O-N 3.25Å; E784-K786 VanDerWaalsContact C-N 3.29Å; E784-K786 PolarHBondContact O-N 2.89Å
787M42.6Very low38.2Very low164 Ų164115 Ų11581%0.80864%0.636SS**Hα-helixtrans-82.4-15177-67.4-164.2170.400113.4V783 E784 S789V783-M787 HydrophobicContact CG1-CE 4.45Å; V783-M787 PolarHBondContact O-N 3.05Å; E784-M787 PolarHBondContact O-N 3.4Å; M787-S789 VanDerWaalsContact C-N 3.33Å; M787-S789 PolarHBondContact O-N 2.85Å
788S39.8Very low37.5Very low106 Ų106119.9 Ų119.974%0.74165%0.649SS**THydrogen-bonded Turntrans-78.2-8.3175.6-169.50000114.9E784E784-S788 WeakPolarHBondContact O-CB 3.47Å; E784-S788 PolarHBondContact O-N 3.44Å; E784-S788 VanDerWaalsContact O-N 3.1Å
789S39.9Very low36.8Very low98 Ų98115.2 Ų115.269%0.68565%0.646SS**  trans-118.270.6-174.965.90000113M787M787-S789 VanDerWaalsContact C-N 3.33Å; M787-S789 PolarHBondContact O-N 2.85Å
790G30.9Very low36Very low73 Ų73118.9 Ų118.975%0.75367%0.672SS**  trans-149.6113.917400000111.7
791N31.6Very low35.2Very low165 Ų165116 Ų11688%0.88269%0.686SS**  trans-94.7142.9179.6-154.546.6000110
792P42.8Very low34.6Very low120 Ų120121.9 Ų121.978%0.77971%0.711SS**  trans-83.7151.5-16733-35.5000113.9
793G26.9Very low34Very low68 Ų68131.4 Ų131.470%0.70174%0.738SS**  trans-159.294.6-179.700000115.5
794S28.4Very low32.9Very low107 Ų107130.7 Ų130.775%0.74875%0.748SS**  trans56.7129.4141.560.70000123.7
795H28.5Very low32.1Very low162 Ų162131.8 Ų131.875%0.7577%0.765SS**  trans79.5109.8140.6-73.7-61.4000122.6
796D27.8Very low31.6Very low123 Ų123128.9 Ų128.966%0.65878%0.778SS**  90.6114.1117.4-61.71.2000124.4
797E28.2Very low31Very low147 Ų147128.7 Ų128.769%0.68778%0.78SS**  91.8145.2124.1-78.9-159.4144.500124.4
798Y29.4Very low30.5Very low206 Ų206127.3 Ų127.381%0.80878%0.776SS**  trans47.6129163.1-69.3-67000123.3
799G27.8Very low29.9Very low64 Ų64129.4 Ų129.466%0.6678%0.778SS**  124.277.9108.600000119.2
800S27.9Very low29.5Very low130 Ų130132.8 Ų132.891%0.90978%0.784SS**  trans4.4122.6148.757.40000120.2
801G25.9Very low29.5Very low80 Ų80133 Ų13383%0.82577%0.773SS**  trans-160.2129.7165.100000113
802Q27.9Very low29.7Very low188 Ų188130.7 Ų130.788%0.87976%0.764SS**  trans-86.5134.7-169.3-78.3-179.1-44.600115.4
803R29.1Very low29.3Very low243 Ų243131.6 Ų131.692%0.91776%0.76SS**  66.6104.4129.3-163.7-174.4-153.2-175.56.2119
804G23.4Very low29.6Very low69 Ų69133.2 Ų133.271%0.71175%0.75SS**  trans-153.8144.5162.600000112.4
805S27.6Very low30.1Very low112 Ų112135 Ų13578%0.78375%0.751SS**  trans-8119.5171.650.90000119.3E807S805-E807 PolarHBondContact O-N 2.9Å
806A31.6Very low30.8Very low109 Ų109129.2 Ų129.290%0.90173%0.729SS**  trans-91.164.6169.200000112.1
807E32.8Very low31.4Very low168 Ų168127.1 Ų127.179%0.78572%0.724SS**  trans-138.592.8172.1-72.6-176.3162.600108.7S805S805-E807 PolarHBondContact O-N 2.9Å
808N31.3Very low32Very low136 Ų136125.3 Ų125.373%0.72772%0.718SS**  trans-175-22.1161.8-107.1-64.3000115.1E810 C811N808-E810 VanDerWaalsContact C-N 3.27Å; N808-E810 PolarHBondContact O-N 2.97Å; N808-E810 VanDerWaalsContact O-N 3.14Å; N808-C811 PolarHBondContact O-N 3.02Å
809D27.9Very low32.4Very low149 Ų149116 Ų11680%0.79769%0.685SS**THydrogen-bonded Turntrans-65.8-18.8-168.8-74.1-33.7000115.7C811D809-C811 VanDerWaalsContact C-N 3.3Å; D809-C811 PolarHBondContact O-N 3.34Å
810E31.5Very low33.4Very low170 Ų170117.7 Ų117.779%0.79468%0.676SS**Hα-helixtrans-66.7-29.4175-67.1-161.912200113.3N808 V812 M813N808-E810 VanDerWaalsContact C-N 3.27Å; N808-E810 PolarHBondContact O-N 2.97Å; N808-E810 VanDerWaalsContact O-N 3.14Å; E810-V812 VanDerWaalsContact C-N 3.31Å; E810-V812 PolarHBondContact O-N 3.12Å; E810-M813 PolarHBondContact O-N 3.12Å
811C30.8Very low34.4Very low78 Ų78114.5 Ų114.553%0.52765%0.646SS.*Hα-helixtrans-69.9-26.9-170.1-166.60000113.2N808 D809N808-C811 PolarHBondContact O-N 3.02Å; D809-C811 VanDerWaalsContact C-N 3.3Å; D809-C811 PolarHBondContact O-N 3.34Å
812V35.7Very low35.2Very low116 Ų116117.6 Ų117.670%0.70364%0.637SS**Hα-helixtrans-80.8-33.3-177.4-173.80000112E810E810-V812 VanDerWaalsContact C-N 3.31Å; E810-V812 PolarHBondContact O-N 3.12Å
813M36Very low36.3Very low138 Ų138114.5 Ų114.568%0.6862%0.621SS**Hα-helixtrans-72.4-37.6179.8-80.3-84.9-88.400112.7E810 N815 S816E810-M813 PolarHBondContact O-N 3.12Å; M813-N815 VanDerWaalsContact C-N 3.35Å; M813-N815 PolarHBondContact O-N 3.37Å; M813-S816 WeakPolarHBondContact O-CB 3.37Å; M813-S816 PolarHBondContact O-N 3.47Å; M813-S816 PolarHBondContact O-OG 3.17Å
814M32.8Very low37.4Very low103 Ų103104.6 Ų104.651%0.50759%0.585SS.*Hα-helixtrans-68.7-28.4-176.5-79.6-68.1171.200114.4K823M814-K823 VanDerWaalsContact SD-CE 3.59Å
815N37.7Very low38.6Very low144 Ų144106.8 Ų106.877%0.7757%0.571SS**THydrogen-bonded Turntrans-90.91.2175.5-68.3-21.9000113.1M813M813-N815 VanDerWaalsContact C-N 3.35Å; M813-N815 PolarHBondContact O-N 3.37Å
816S43.9Very low39.8Very low40 Ų40105.3 Ų105.328%0.2856%0.561SS.*SBendtrans-77.1152.4169.780.40000110.9M813 L818 G819 H820M813-S816 WeakPolarHBondContact O-CB 3.37Å; M813-S816 PolarHBondContact O-N 3.47Å; M813-S816 PolarHBondContact O-OG 3.17Å; S816-L818 PolarHBondContact O-N 2.81Å; S816-L818 PolarHBondContact OG-N 3.17Å; S816-G819 PolarHBondContact O-N 3.04Å; S816-G819 PolarHBondContact OG-N 3.42Å; S816-H820 PolarHBondContact O-N 3.27Å
817S41.2Very low40.9Very low80 Ų80101.1 Ų101.156%0.55953%0.527SS*.Hα-helixtrans-55.5-25.7173.9-175.40000113F821S817-F821 WeakPolarHBondContact O-CD2 3.49Å; S817-F821 WeakPolarHBondContact O-CE2 3.44Å; S817-F821 WeakPolarHBondContact O-CG 3.48Å; S817-F821 PolarHBondContact O-N 2.89Å; S817-F821 WeakPolarHBondContact OG-CE2 3.16Å; S817-F821 VanDerWaalsContact OG-CZ 3.31Å; S817-F821 WeakPolarHBondContact OG-CZ 3.45Å
818L39.1Very low41.9Very low108 Ų10894.1 Ų94.157%0.56550%0.495SS*.Hα-helixtrans-70.6-38.4175.9-99157.1000112.6S816 H820 F821 F822S816-L818 PolarHBondContact O-N 2.81Å; S816-L818 PolarHBondContact OG-N 3.17Å; L818-H820 VanDerWaalsContact C-N 3.28Å; L818-H820 PolarHBondContact O-N 3.06Å; L818-F821 PolarHBondContact O-N 2.67Å; L818-F822 HydrophobicContact CD2-CD2 4.45Å; L818-F822 HydrophobicContact CD2-CE2 4.05Å; L818-F822 WeakPolarHBondContact O-CD2 3.3Å; L818-F822 PolarHBondContact O-N 3.48Å
819G39.3Very low43Very low11 Ų1192.4 Ų92.411%0.11349%0.486CS..Hα-helixtrans-60.1-40174.900000112.1S816 F822 K823S816-G819 PolarHBondContact O-N 3.04Å; S816-G819 PolarHBondContact OG-N 3.42Å; G819-F822 PolarHBondContact O-N 3.15Å; G819-K823 WeakPolarHBondContact O-CG 3.37Å; G819-K823 PolarHBondContact O-N 3.5Å; G819-K823 VanDerWaalsContact O-N 3.16Å
820H48.3Very low44.4Very low100 Ų10090.2 Ų90.246%0.46347%0.469SS..Hα-helixtrans-62.4-44.7173.3-163.2-86.6000112.3S816 L818 F822 K823 Q824S816-H820 PolarHBondContact O-N 3.27Å; L818-H820 VanDerWaalsContact C-N 3.28Å; L818-H820 PolarHBondContact O-N 3.06Å; H820-F822 PolarHBondContact O-N 3.08Å; H820-K823 PolarHBondContact O-N 2.88Å; H820-Q824 WeakPolarHBondContact O-CB 3.45Å; H820-Q824 PolarHBondContact O-N 3.15Å
821F48.8Very low45.5Very low62 Ų6282.5 Ų82.527%0.27243%0.434SS..Hα-helixtrans-66.3-33.4178.9-61.5-42.3000113.7V775 S817 L818 R825V775-F821 HydrophobicContact CG1-CE1 4.45Å; V775-F821 HydrophobicContact CG1-CE2 4.49Å; V775-F821 HydrophobicContact CG1-CZ 4.17Å; S817-F821 WeakPolarHBondContact O-CD2 3.49Å; S817-F821 WeakPolarHBondContact O-CE2 3.44Å; S817-F821 WeakPolarHBondContact O-CG 3.48Å; S817-F821 PolarHBondContact O-N 2.89Å; S817-F821 WeakPolarHBondContact OG-CE2 3.16Å; S817-F821 VanDerWaalsContact OG-CZ 3.31Å; S817-F821 WeakPolarHBondContact OG-CZ 3.45Å; L818-F821 PolarHBondContact O-N 2.67Å; F821-R825 WeakPolarHBondContact O-CB 3.31Å; F821-R825 PolarHBondContact O-N 3.27Å
822F43Very low46.6Very low145 Ų14581.1 Ų81.164%0.63642%0.42SS*.Hα-helixtrans-69.6-39.6173.3-85.2-74.5000112.3L818 G819 H820 R825 S826L818-F822 HydrophobicContact CD2-CD2 4.45Å; L818-F822 HydrophobicContact CD2-CE2 4.05Å; L818-F822 WeakPolarHBondContact O-CD2 3.3Å; L818-F822 PolarHBondContact O-N 3.48Å; G819-F822 PolarHBondContact O-N 3.15Å; H820-F822 PolarHBondContact O-N 3.08Å; F822-R825 PolarHBondContact O-N 3.45Å; F822-S826 WeakPolarHBondContact O-CB 3.11Å; F822-S826 PolarHBondContact O-N 2.95Å
823K51.6Low47.5Very low124 Ų12477.3 Ų77.354%0.53940%0.404SS..Hα-helixtrans-61-50.3171.7-71.8175.7178.8176.40111.3M814 G819 H820 R825 S826 A827M814-K823 VanDerWaalsContact SD-CE 3.59Å; G819-K823 WeakPolarHBondContact O-CG 3.37Å; G819-K823 PolarHBondContact O-N 3.5Å; G819-K823 VanDerWaalsContact O-N 3.16Å; H820-K823 PolarHBondContact O-N 2.88Å; K823-R825 PolarHBondContact O-N 2.65Å; K823-S826 WeakPolarHBondContact O-CB 3.32Å; K823-S826 PolarHBondContact O-N 3.46Å; K823-S826 VanDerWaalsContact O-N 3.1Å; K823-A827 WeakPolarHBondContact O-CB 3.22Å; K823-A827 PolarHBondContact O-N 3.44Å
824Q51Low48.5Very low35 Ų3573.7 Ų73.716%0.16439%0.388CS..Hα-helixtrans-55.4-46.2175.4178.8177.517.100112.6H820 S826 A827 V828 Y1006H820-Q824 WeakPolarHBondContact O-CB 3.45Å; H820-Q824 PolarHBondContact O-N 3.15Å; Q824-S826 VanDerWaalsContact C-N 3.34Å; Q824-S826 PolarHBondContact O-N 3.04Å; Q824-A827 PolarHBondContact O-N 2.98Å; Q824-V828 WeakPolarHBondContact O-CG2 3.45Å; Q824-V828 PolarHBondContact O-N 2.83Å; Q824-Y1006 HydrophobicContact CG-CD1 4.38Å; Q824-Y1006 HydrophobicContact CG-CE1 3.77Å; Q824-Y1006 HydrophobicContact CG-CE2 4.1Å
825R49.5Very low49.7Very low114 Ų11469.4 Ų69.443%0.4337%0.366SS..Hα-helixtrans-64.7-37.6177179.9173.3171.1160-2.1112Y773 F821 F822 K823 N829Y773-R825 PolarHBondContact OH-NH2 3.05Å; F821-R825 WeakPolarHBondContact O-CB 3.31Å; F821-R825 PolarHBondContact O-N 3.27Å; F822-R825 PolarHBondContact O-N 3.45Å; K823-R825 PolarHBondContact O-N 2.65Å; R825-N829 PolarHBondContact O-N 2.83Å; R825-N829 PolarHBondContact O-ND2 2.89Å
826S52.2Low50.7Low82 Ų8270.9 Ų70.957%0.57336%0.361SS*.Hα-helixtrans-65.4-48.1175.1-164.70000111.1F822 K823 Q824 V828 N829 K830F822-S826 WeakPolarHBondContact O-CB 3.11Å; F822-S826 PolarHBondContact O-N 2.95Å; K823-S826 WeakPolarHBondContact O-CB 3.32Å; K823-S826 PolarHBondContact O-N 3.46Å; K823-S826 VanDerWaalsContact O-N 3.1Å; Q824-S826 VanDerWaalsContact C-N 3.34Å; Q824-S826 PolarHBondContact O-N 3.04Å; S826-V828 PolarHBondContact O-N 3.07Å; S826-N829 PolarHBondContact O-N 3.42Å; S826-K830 WeakPolarHBondContact O-CB 3.46Å; S826-K830 PolarHBondContact O-N 2.92Å
827A54Low51.2Low21 Ų2176.4 Ų76.417%0.17438%0.38CS..Hα-helixtrans-54-54.4177.800000112.5K823 Q824 N829 K830 M831 F998K823-A827 WeakPolarHBondContact O-CB 3.22Å; K823-A827 PolarHBondContact O-N 3.44Å; Q824-A827 PolarHBondContact O-N 2.98Å; A827-N829 VanDerWaalsContact C-N 3.34Å; A827-N829 PolarHBondContact O-N 3.25Å; A827-K830 PolarHBondContact O-N 3.19Å; A827-M831 WeakPolarHBondContact O-CB 3.39Å; A827-M831 PolarHBondContact O-N 3.38Å; A827-F998 HydrophobicContact CB-CD1 4.41Å; A827-F998 HydrophobicContact CB-CE1 3.71Å; A827-F998 WeakPolarHBondContact O-CZ 3.47Å
828V54.1Low51.9Low21 Ų2174.9 Ų74.913%0.12736%0.364CS..Hα-helixtrans-62.5-38-179175.20000112.2Q824 S826 M832Q824-V828 WeakPolarHBondContact O-CG2 3.45Å; Q824-V828 PolarHBondContact O-N 2.83Å; S826-V828 PolarHBondContact O-N 3.07Å; V828-M832 WeakPolarHBondContact O-CB 3.47Å; V828-M832 WeakPolarHBondContact O-CG 3.43Å; V828-M832 PolarHBondContact O-N 2.94Å
829N53.7Low52.7Low99 Ų9973.1 Ų73.153%0.52935%0.354SS..Hα-helixtrans-72.4-35.1176.5-74.2-79.4000112.3R825 S826 A827 G833R825-N829 PolarHBondContact O-N 2.83Å; R825-N829 PolarHBondContact O-ND2 2.89Å; S826-N829 PolarHBondContact O-N 3.42Å; A827-N829 VanDerWaalsContact C-N 3.34Å; A827-N829 PolarHBondContact O-N 3.25Å; N829-G833 PolarHBondContact O-N 2.89Å
830K58.3Low53.3Low104 Ų10477.2 Ų77.245%0.45238%0.381SS..Hα-helixtrans-65.1-42.7172.4-172.8-170-178.5-153.40110.9S826 A827 G833 N834 S997 F998S826-K830 WeakPolarHBondContact O-CB 3.46Å; S826-K830 PolarHBondContact O-N 2.92Å; A827-K830 PolarHBondContact O-N 3.19Å; K830-G833 PolarHBondContact O-N 3.37Å; K830-N834 WeakPolarHBondContact O-CB 3.45Å; K830-N834 PolarHBondContact O-N 3.27Å; K830-N834 PolarHBondContact O-OD1 2.86Å; K830-S997 PolarHBondContact NZ-OG 3.44Å; K830-F998 HydrophobicContact CB-CZ 4.2Å; K830-F998 HydrophobicContact CD-CZ 4.2Å; K830-F998 HydrophobicContact CG-CZ 4.35Å
831M55.2Low53.4Low8 Ų875.5 Ų75.54%0.03938%0.381CS..Hα-helixtrans-62.6-50.5175.7-172.8166.753.200111.9W768 A827 G833 N834 W835 F998W768-M831 HydrophobicContact CH2-CE 3.41Å; W768-M831 VanDerWaalsContact CH2-CE 3.41Å; W768-M831 HydrophobicContact CZ2-CE 3.76Å; W768-M831 HydrophobicContact CZ3-CE 4.48Å; A827-M831 WeakPolarHBondContact O-CB 3.39Å; A827-M831 PolarHBondContact O-N 3.38Å; M831-G833 PolarHBondContact O-N 3.01Å; M831-N834 PolarHBondContact O-N 3.38Å; M831-N834 VanDerWaalsContact O-N 3.13Å; M831-W835 HydrophobicContact CG-CD2 4.41Å; M831-W835 HydrophobicContact CG-CZ2 4.34Å; M831-W835 WeakPolarHBondContact O-CB 3.4Å; M831-W835 PolarHBondContact O-N 3.29Å; M831-W835 HydrophobicContact SD-CZ2 4.18Å; M831-F998 HydrophobicContact CB-CD2 4.25Å; M831-F998 HydrophobicContact CB-CE2 3.55Å; M831-F998 HydrophobicContact CB-CZ 3.83Å; M831-F998 HydrophobicContact CG-CD2 4.26Å; M831-F998 HydrophobicContact CG-CE2 3.99Å; M831-F998 HydrophobicContact SD-CD2 4.23Å; M831-F998 HydrophobicContact SD-CE2 4.47Å
832M53.3Low53.5Low48 Ų4873.4 Ų73.424%0.23637%0.373CS..Hα-helixtrans-63.4-28.7176.1-70.3-59.8-59.700113.2L765 V828 W835 R836L765-M832 HydrophobicContact CD1-CE 4Å; L765-M832 HydrophobicContact CD2-CE 3.88Å; L765-M832 HydrophobicContact CD2-SD 3.89Å; V828-M832 WeakPolarHBondContact O-CB 3.47Å; V828-M832 WeakPolarHBondContact O-CG 3.43Å; V828-M832 PolarHBondContact O-N 2.94Å; M832-W835 HydrophobicContact SD-CE3 4.07Å; M832-W835 HydrophobicContact SD-CZ3 4.49Å; M832-R836 WeakPolarHBondContact O-CB 3.42Å; M832-R836 PolarHBondContact O-N 3.06Å; M832-R836 VanDerWaalsContact O-N 3.13Å
833G54.2Low53.8Low37 Ų3768.2 Ų68.238%0.38135%0.354SS..Hα-helixtrans-69.1-47.1170.500000112.4N829 K830 M831 R836 K837N829-G833 PolarHBondContact O-N 2.89Å; K830-G833 PolarHBondContact O-N 3.37Å; M831-G833 PolarHBondContact O-N 3.01Å; G833-R836 PolarHBondContact O-N 3.15Å; G833-K837 WeakPolarHBondContact O-CB 3.32Å; G833-K837 PolarHBondContact O-N 3.46Å
834N57.4Low53.8Low61 Ų6165.9 Ų65.933%0.32635%0.353SS..Hα-helixtrans-62.2-45175.9-75.14.3000111.7K830 M831 K837 M838K830-N834 WeakPolarHBondContact O-CB 3.45Å; K830-N834 PolarHBondContact O-N 3.27Å; K830-N834 PolarHBondContact O-OD1 2.86Å; M831-N834 PolarHBondContact O-N 3.38Å; M831-N834 VanDerWaalsContact O-N 3.13Å; N834-K837 WeakPolarHBondContact O-CB 3.26Å; N834-K837 PolarHBondContact O-N 3.09Å; N834-M838 WeakPolarHBondContact O-CG 3.27Å; N834-M838 PolarHBondContact O-N 3.36Å
835W58.9Low53.8Low14 Ų1465.6 Ų65.65%0.05335%0.351CS..Hα-helixtrans-59.9-48.8175.7-73.911000111.3M831 M832 K837 M838 I839 D879 M882 L883 F886M831-W835 HydrophobicContact CG-CD2 4.41Å; M831-W835 HydrophobicContact CG-CZ2 4.34Å; M831-W835 WeakPolarHBondContact O-CB 3.4Å; M831-W835 PolarHBondContact O-N 3.29Å; M831-W835 HydrophobicContact SD-CZ2 4.18Å; M832-W835 HydrophobicContact SD-CE3 4.07Å; M832-W835 HydrophobicContact SD-CZ3 4.49Å; W835-K837 VanDerWaalsContact C-N 3.28Å; W835-K837 PolarHBondContact O-N 3.49Å; W835-M838 PolarHBondContact O-N 2.86Å; W835-I839 VanDerWaalsContact O-CG1 3.25Å; W835-I839 WeakPolarHBondContact O-CG1 3.48Å; W835-I839 PolarHBondContact O-N 2.92Å; W835-D879 HydrophobicContact CZ2-CB 4.22Å; W835-M882 HydrophobicContact CH2-CB 3.92Å; W835-M882 HydrophobicContact CH2-CE 3.96Å; W835-M882 HydrophobicContact CH2-SD 4.41Å; W835-M882 HydrophobicContact CZ2-CB 4.19Å; W835-M882 HydrophobicContact CZ2-CE 3.94Å; W835-L883 HydrophobicContact CB-CD1 4.02Å; W835-L883 HydrophobicContact CD2-CD1 4.08Å; W835-L883 HydrophobicContact CE3-CD1 4.27Å; W835-L883 HydrophobicContact CG-CD1 3.99Å; W835-F886 HydrophobicContact CH2-CE2 4.43Å; W835-F886 HydrophobicContact CZ3-CD2 4.48Å; W835-F886 HydrophobicContact CZ3-CE2 4.48Å
836R58Low54Low175 Ų17561.1 Ų61.166%0.6634%0.335SS*.Hα-helixtrans-57.5-41.7174.7-174.6178.4-55-72.2-11.7112.1M832 G833 S840M832-R836 WeakPolarHBondContact O-CB 3.42Å; M832-R836 PolarHBondContact O-N 3.06Å; M832-R836 VanDerWaalsContact O-N 3.13Å; G833-R836 PolarHBondContact O-N 3.15Å; R836-S840 PolarHBondContact O-N 3.12Å; R836-S840 PolarHBondContact O-OG 3Å; R836-S840 VanDerWaalsContact O-OG 3.07Å
837K54.5Low54.1Low156 Ų15659.9 Ų59.968%0.67832%0.321SS*.Hα-helixtrans-64.9-41.9177.7-170.3-175.1177-1690112G833 N834 W835 S840 S841G833-K837 WeakPolarHBondContact O-CB 3.32Å; G833-K837 PolarHBondContact O-N 3.46Å; N834-K837 WeakPolarHBondContact O-CB 3.26Å; N834-K837 PolarHBondContact O-N 3.09Å; W835-K837 VanDerWaalsContact C-N 3.28Å; W835-K837 PolarHBondContact O-N 3.49Å; K837-S840 WeakPolarHBondContact CA-OG 3.31Å; K837-S840 PolarHBondContact O-N 2.87Å; K837-S840 PolarHBondContact O-OG 3.41Å; K837-S841 PolarHBondContact O-N 3.4Å; K837-S841 PolarHBondContact O-OG 2.97Å
838M54.8Low54.1Low47 Ų4760.4 Ų60.423%0.23232%0.319CS..Hα-helixtrans-66-45.6176.6-74.5-171.4-70.700111.6N834 W835 S840 S841 V842 P864 L880 L883N834-M838 WeakPolarHBondContact O-CG 3.27Å; N834-M838 PolarHBondContact O-N 3.36Å; W835-M838 PolarHBondContact O-N 2.86Å; M838-S840 VanDerWaalsContact C-N 3.33Å; M838-S840 PolarHBondContact O-N 3.41Å; M838-S841 WeakPolarHBondContact CA-OG 3.38Å; M838-S841 CarbonylContact O-C 3.56Å; M838-S841 WeakPolarHBondContact O-CA 3.39Å; M838-S841 PolarHBondContact O-N 2.86Å; M838-S841 PolarHBondContact O-OG 2.61Å; M838-V842 PolarHBondContact O-N 3.02Å; M838-P864 HydrophobicContact CB-CG 4.12Å; M838-P864 WeakPolarHBondContact O-CG 3.3Å; M838-L880 HydrophobicContact CE-CD2 4.37Å; M838-L880 HydrophobicContact SD-CD2 4.12Å; M838-L883 HydrophobicContact CB-CD2 4.12Å; M838-L883 HydrophobicContact CE-CD2 3.72Å; M838-L883 HydrophobicContact SD-CD2 4.36Å
839I56.3Low54Low71 Ų7163.9 Ų63.936%0.36433%0.33SS..Hα-helixtrans-58.2-45.4174.8-63.6164.3000110.5W835 S841 V842 L883W835-I839 VanDerWaalsContact O-CG1 3.25Å; W835-I839 WeakPolarHBondContact O-CG1 3.48Å; W835-I839 PolarHBondContact O-N 2.92Å; I839-S841 PolarHBondContact O-N 3.35Å; I839-S841 VanDerWaalsContact O-N 3.08Å; I839-V842 PolarHBondContact O-N 3.21Å; I839-L883 HydrophobicContact CD1-CD1 3.91Å; I839-L883 HydrophobicContact CG1-CD1 3.96Å
840S53.2Low53.9Low97 Ų9759.9 Ų59.968%0.67831%0.308SS*.THydrogen-bonded Turntrans-67.8-3.9175.459.50000114.9R836 K837 M838R836-S840 PolarHBondContact O-N 3.12Å; R836-S840 PolarHBondContact O-OG 3Å; R836-S840 VanDerWaalsContact O-OG 3.07Å; K837-S840 WeakPolarHBondContact CA-OG 3.31Å; K837-S840 PolarHBondContact O-N 2.87Å; K837-S840 PolarHBondContact O-OG 3.41Å; M838-S840 VanDerWaalsContact C-N 3.33Å; M838-S840 PolarHBondContact O-N 3.41Å
841S50.5Low53.6Low65 Ų6559.8 Ų59.846%0.45531%0.309SS..THydrogen-bonded Turntrans-110.65.3171.460.60000113.7K837 M838 I839 P843K837-S841 PolarHBondContact O-N 3.4Å; K837-S841 PolarHBondContact O-OG 2.97Å; M838-S841 WeakPolarHBondContact CA-OG 3.38Å; M838-S841 CarbonylContact O-C 3.56Å; M838-S841 WeakPolarHBondContact O-CA 3.39Å; M838-S841 PolarHBondContact O-N 2.86Å; M838-S841 PolarHBondContact O-OG 2.61Å; I839-S841 PolarHBondContact O-N 3.35Å; I839-S841 VanDerWaalsContact O-N 3.08Å; S841-P843 WeakPolarHBondContact O-CD 3.44Å
842V49.4Very low53.1Low17 Ų1766.1 Ų66.110%0.10333%0.332CS..SBendtrans-87.5114.7164.1-176.80000107.1M838 I839 Q846 I847 P864M838-V842 PolarHBondContact O-N 3.02Å; I839-V842 PolarHBondContact O-N 3.21Å; V842-Q846 HydrophobicContact CG1-CB 4.29Å; V842-Q846 HydrophobicContact CG1-CG 4.37Å; V842-I847 HydrophobicContact CG1-CD1 4.14Å; V842-I847 HydrophobicContact CG1-CG1 3.84Å; V842-P864 HydrophobicContact CG2-CG 3.81Å
843P50.1Low53Low36 Ų3668.6 Ų68.623%0.23434%0.344CS..  trans-63.9141-179.9-21.233.1000111W270 S841 R845 Q846 I847W270-P843 HydrophobicContact CH2-CG 3.6Å; W270-P843 HydrophobicContact CZ2-CG 3.99Å; W270-P843 HydrophobicContact CZ3-CG 4.11Å; S841-P843 WeakPolarHBondContact O-CD 3.44Å; P843-R845 PolarHBondContact O-N 3.37Å; P843-Q846 WeakPolarHBondContact O-CB 3.24Å; P843-Q846 PolarHBondContact O-N 3.24Å; P843-I847 PolarHBondContact O-N 3.4Å
844S51.1Low52.7Low76 Ų7677.6 Ų77.653%0.53137%0.372SS..Hα-helixtrans-52.9-31.4174.6-520000112.2I847 R848S844-I847 PolarHBondContact O-N 3.49Å; S844-R848 WeakPolarHBondContact O-CB 3.5Å; S844-R848 VanDerWaalsContact O-CG 3.24Å; S844-R848 WeakPolarHBondContact O-CG 3.36Å; S844-R848 PolarHBondContact O-N 3.1Å; S844-R848 PolarHBondContact O-NE 3.05Å
845R50.6Low52.8Low28 Ų2877.4 Ų77.411%0.10638%0.379CS..Hα-helixtrans-59.8-44.4174.1-64.9-175.3-178.3-140.95.8112.8E280 D301 P843 I847 R848 R849E280-R845 IonicContact OE2-CZ 2.98Å; E280-R845 IonicContact OE2-NE 2.8Å; E280-R845 PolarHBondContact OE2-NE 2.92Å; E280-R845 IonicContact OE2-NH2 3.56Å; E280-R845 PolarHBondContact OE2-NH2 3.48Å; D301-R845 IonicContact OD2-CZ 3.27Å; D301-R845 IonicContact OD2-NH1 2.91Å; D301-R845 PolarHBondContact OD2-NH1 3.47Å; P843-R845 PolarHBondContact O-N 3.37Å; R845-I847 VanDerWaalsContact C-N 3.35Å; R845-I847 PolarHBondContact O-N 3.45Å; R845-R848 VanDerWaalsContact CG-NH2 3.27Å; R845-R848 PolarHBondContact O-N 3.45Å; R845-R849 WeakPolarHBondContact O-CB 3.49Å; R845-R849 PolarHBondContact O-N 3.49Å
846Q54.1Low53.2Low21 Ų2178.7 Ų78.710%0.09839%0.387CS..Hα-helixtrans-61-41.9176.3179.5168.8-41.600111.9V842 P843 R849 L850 Q861 L863V842-Q846 HydrophobicContact CG1-CB 4.29Å; V842-Q846 HydrophobicContact CG1-CG 4.37Å; P843-Q846 WeakPolarHBondContact O-CB 3.24Å; P843-Q846 PolarHBondContact O-N 3.24Å; Q846-R849 PolarHBondContact O-N 3.31Å; Q846-L850 WeakPolarHBondContact O-CG 3.41Å; Q846-L850 PolarHBondContact O-N 2.97Å; Q846-Q861 PolarHBondContact NE2-O 3.04Å; Q846-L863 PolarHBondContact NE2-O 3.3Å
847I55Low54Low56 Ų5671.8 Ų71.829%0.28736%0.362SS..Hα-helixtrans-66.6-46.7177.8-57.5174000110.3V842 P843 S844 R845 R849 L850 H851V842-I847 HydrophobicContact CG1-CD1 4.14Å; V842-I847 HydrophobicContact CG1-CG1 3.84Å; P843-I847 PolarHBondContact O-N 3.4Å; S844-I847 PolarHBondContact O-N 3.49Å; R845-I847 VanDerWaalsContact C-N 3.35Å; R845-I847 PolarHBondContact O-N 3.45Å; I847-R849 VanDerWaalsContact C-N 3.29Å; I847-R849 PolarHBondContact O-N 2.84Å; I847-L850 PolarHBondContact O-N 3.39Å; I847-L850 VanDerWaalsContact O-N 3.14Å; I847-H851 PolarHBondContact O-CD2 2.94Å; I847-H851 PolarHBondContact O-N 2.7Å
848R53.6Low55.2Low31 Ų3165 Ų6512%0.11733%0.334CS..Hα-helixtrans-60-35.2177.5-70.6-176.8-73.3-146.83113E280 Y313 N314 S844 R845 H851 R852E280-R848 IonicContact OE1-CZ 3.98Å; E280-R848 IonicContact OE1-NH1 3.15Å; E280-R848 PolarHBondContact OE1-NH1 2.81Å; E280-R848 IonicContact OE1-NH2 3.56Å; E280-R848 PolarHBondContact OE1-NH2 2.64Å; E280-R848 IonicContact OE2-NH2 2.94Å; Y313-R848 HydrophobicContact CD1-CG 4.28Å; Y313-R848 HydrophobicContact CE1-CB 4.15Å; Y313-R848 HydrophobicContact CE1-CG 3.5Å; Y313-R848 VanDerWaalsContact CE1-CG 3.5Å; Y313-R848 HydrophobicContact CE2-CB 4.07Å; Y313-R848 HydrophobicContact CE2-CG 4.32Å; N314-R848 PolarHBondContact OD1-NH1 2.81Å; S844-R848 WeakPolarHBondContact O-CB 3.5Å; S844-R848 VanDerWaalsContact O-CG 3.24Å; S844-R848 WeakPolarHBondContact O-CG 3.36Å; S844-R848 PolarHBondContact O-N 3.1Å; S844-R848 PolarHBondContact O-NE 3.05Å; R845-R848 VanDerWaalsContact CG-NH2 3.27Å; R845-R848 PolarHBondContact O-N 3.45Å; R848-H851 PolarHBondContact O-N 2.95Å; R848-R852 PolarHBondContact O-N 3.34Å
849R51.3Low56.3Low95 Ų9562.8 Ų62.836%0.35832%0.323SS..Hα-helixtrans-62.5-41.5174.4174.7166.5170.4166.84.7112.5D303 R845 Q846 I847 R852 Q853D303-R849 WeakPolarHBondContact OD1-CD 3.41Å; D303-R849 IonicContact OD1-CZ 3.45Å; D303-R849 IonicContact OD1-NE 3.4Å; D303-R849 IonicContact OD1-NH1 4Å; D303-R849 PolarHBondContact OD1-NH1 2.99Å; R845-R849 WeakPolarHBondContact O-CB 3.49Å; R845-R849 PolarHBondContact O-N 3.49Å; Q846-R849 PolarHBondContact O-N 3.31Å; I847-R849 VanDerWaalsContact C-N 3.29Å; I847-R849 PolarHBondContact O-N 2.84Å; R849-R852 PolarHBondContact O-N 2.76Å; R849-Q853 PolarHBondContact O-N 3.39Å
850L51.6Low57.2Low15 Ų1561.8 Ų61.88%0.07932%0.317CS..Hα-helixtrans-66.7-40.6178.5-63.6168.2000111.8Q846 I847 R852 Q853 F857 Q861 F862Q846-L850 WeakPolarHBondContact O-CG 3.41Å; Q846-L850 PolarHBondContact O-N 2.97Å; I847-L850 PolarHBondContact O-N 3.39Å; I847-L850 VanDerWaalsContact O-N 3.14Å; L850-R852 PolarHBondContact O-N 3.24Å; L850-R852 VanDerWaalsContact O-N 3.13Å; L850-Q853 PolarHBondContact O-N 3.23Å; L850-Q853 VanDerWaalsContact O-N 3.17Å; L850-F857 HydrophobicContact CB-CE1 4.46Å; L850-Q861 HydrophobicContact CD1-CB 3.76Å; L850-Q861 WeakPolarHBondContact CD1-O 3.41Å; L850-Q861 HydrophobicContact CD2-CB 3.76Å; L850-Q861 HydrophobicContact CD2-CG 4.12Å; L850-Q861 HydrophobicContact CG-CB 4.43Å; L850-F862 HydrophobicContact CB-CZ 4.3Å; L850-F862 HydrophobicContact CD1-CD1 3.96Å; L850-F862 HydrophobicContact CD1-CD2 4.3Å; L850-F862 HydrophobicContact CD1-CE1 3.69Å; L850-F862 HydrophobicContact CD1-CE2 4.02Å; L850-F862 HydrophobicContact CD1-CG 4.25Å; L850-F862 HydrophobicContact CD1-CZ 3.71Å
851H51.8Low58Low102 Ų10259.7 Ų59.747%0.47230%0.296SS..Hα-helixtrans-59.1-22.7173.4-81.1-83.9000114.2I847 R848I847-H851 PolarHBondContact O-CD2 2.94Å; I847-H851 PolarHBondContact O-N 2.7Å; R848-H851 PolarHBondContact O-N 2.95Å
852R46.6Very low58.9Low140 Ų14057 Ų5753%0.52828%0.276SS..Hα-helixtrans-91.6-19.7178.7-121.4-178.5-173.2-166.32.7113.7F305 R848 R849 L850F305-R852 VanDerWaalsContact CE1-NH1 3.3Å; R848-R852 PolarHBondContact O-N 3.34Å; R849-R852 PolarHBondContact O-N 2.76Å; L850-R852 PolarHBondContact O-N 3.24Å; L850-R852 VanDerWaalsContact O-N 3.13Å
853Q50.5Low59.9Low101 Ų10156.5 Ų56.547%0.47227%0.273SS..  trans-89.7111.7177.3-68.9-171.4-38.200110.2R849 L850 A855R849-Q853 PolarHBondContact O-N 3.39Å; L850-Q853 PolarHBondContact O-N 3.23Å; L850-Q853 VanDerWaalsContact O-N 3.17Å; Q853-A855 PolarHBondContact O-N 2.86Å
854K47.9Very low60.4Low226 Ų22655.9 Ų55.998%0.98327%0.269SS*.  trans-75.259173-66.6-172.1176.9-174.40111.7
855A59.3Low61Low57 Ų5758 Ų5847%0.47127%0.265SS..SBendtrans-115.6163.417400000109.7Q853 F857Q853-A855 PolarHBondContact O-N 2.86Å; A855-F857 PolarHBondContact O-N 3.2Å
856L66.3Low61.2Low41 Ų4161 Ų6122%0.21528%0.282CS..  trans-73.3123.8178.7-61.4170.8000109.8S858 I931 E932 W938L856-S858 PolarHBondContact O-N 3.05Å; L856-I931 HydrophobicContact CD1-CB 4.26Å; L856-I931 HydrophobicContact CD1-CG2 3.83Å; L856-I931 HydrophobicContact CD2-CG2 4.3Å; L856-E932 VanDerWaalsContact CD1-CA 3.44Å; L856-E932 HydrophobicContact CD1-CB 3.72Å; L856-E932 HydrophobicContact CD1-CG 4.23Å; L856-W938 HydrophobicContact CD2-CZ2 3.91Å
857F75.8Confident60.5Low30 Ų3068.1 Ų68.113%0.13232%0.321CS..  trans-65.4128.2-178.4-58.2-67.4000112.3L850 A855 F862 I888 L891 L893 R901L850-F857 HydrophobicContact CB-CE1 4.46Å; A855-F857 PolarHBondContact O-N 3.2Å; F857-F862 HydrophobicContact CB-CE2 4.16Å; F857-F862 HydrophobicContact CD1-CE2 4.09Å; F857-F862 AromaticContact CD1-CZ 3.8Å; F857-F862 HydrophobicContact CD1-CZ 3.8Å; F857-F862 HydrophobicContact CE1-CZ 4.39Å; F857-F862 HydrophobicContact CG-CE2 4.46Å; F857-F862 HydrophobicContact CG-CZ 4.39Å; F857-I888 HydrophobicContact CB-CD1 3.87Å; F857-I888 HydrophobicContact CB-CG1 3.94Å; F857-I888 HydrophobicContact CB-CG2 3.96Å; F857-L891 HydrophobicContact CD1-CD1 4.13Å; F857-L891 HydrophobicContact CD2-CD1 3.82Å; F857-L891 HydrophobicContact CE1-CD1 4.15Å; F857-L891 HydrophobicContact CE2-CD1 3.84Å; F857-L891 HydrophobicContact CG-CD1 3.96Å; F857-L891 HydrophobicContact CZ-CD1 4.01Å; F857-L893 HydrophobicContact CD2-CD2 3.73Å; F857-L893 HydrophobicContact CE2-CD2 3.59Å; F857-R901 PolarHBondContact O-NH1 3.15Å; F857-R901 PolarHBondContact O-NH2 2.95Å
858S79.4Confident60.4Low13 Ų1368.2 Ų68.29%0.09134%0.336CS..  trans-115.8145.7172.469.80000111.1L856 E860 Q861L856-S858 PolarHBondContact O-N 3.05Å; S858-E860 VanDerWaalsContact C-N 3.29Å; S858-E860 VanDerWaalsContact CB-OE1 3.26Å; S858-E860 WeakPolarHBondContact CB-OE1 3.46Å; S858-E860 PolarHBondContact O-N 2.57Å; S858-E860 PolarHBondContact OG-OE1 3.3Å; S858-Q861 WeakPolarHBondContact O-CB 3.32Å; S858-Q861 WeakPolarHBondContact O-CG 3.46Å; S858-Q861 PolarHBondContact O-N 3.35Å; S858-Q861 WeakPolarHBondContact OG-CG 3.33Å; S858-Q861 PolarHBondContact OG-NE2 2.82Å
859P77Confident60.2Low0 Ų071.2 Ų71.20%036%0.358CS..G310 helixtrans-59-32.5-170.6-3240.7000115.7Q861 F862 L876 F881 G884 Y885 I888P859-Q861 PolarHBondContact O-N 2.96Å; P859-F862 PolarHBondContact O-N 3.15Å; P859-L876 HydrophobicContact CB-CD1 4.49Å; P859-F881 HydrophobicContact CB-CD2 4.3Å; P859-F881 HydrophobicContact CG-CD2 3.97Å; P859-F881 HydrophobicContact CG-CE2 3.81Å; P859-F881 HydrophobicContact CG-CZ 4.37Å; P859-G884 WeakPolarHBondContact O-CA 3.2Å; P859-Y885 HydrophobicContact CG-CD2 3.79Å; P859-Y885 HydrophobicContact CG-CG 4.48Å; P859-I888 HydrophobicContact CG-CD1 4.18Å
860E75.8Confident60.7Low51 Ų5170.7 Ų70.724%0.23837%0.367CS..G310 helixtrans-59.5-28.6-179.772.6-144.1117.800113.3S858 F862 L863 Y873 L876S858-E860 VanDerWaalsContact C-N 3.29Å; S858-E860 VanDerWaalsContact CB-OE1 3.26Å; S858-E860 WeakPolarHBondContact CB-OE1 3.46Å; S858-E860 PolarHBondContact O-N 2.57Å; S858-E860 PolarHBondContact OG-OE1 3.3Å; E860-F862 PolarHBondContact O-N 3.22Å; E860-L863 PolarHBondContact O-N 3.45Å; E860-Y873 WeakPolarHBondContact OE2-CB 3.35Å; E860-Y873 PolarHBondContact OE2-N 2.86Å; E860-L876 HydrophobicContact CB-CD1 4.36Å; E860-L876 HydrophobicContact CB-CD2 4.43Å
861Q71.1Confident61.6Low52 Ų5271 Ų7124%0.24337%0.369CS..G310 helixtrans-64-29.3-176.1-64.5168.6-1.500112Q846 L850 S858 P859Q846-Q861 PolarHBondContact NE2-O 3.04Å; L850-Q861 HydrophobicContact CD1-CB 3.76Å; L850-Q861 WeakPolarHBondContact CD1-O 3.41Å; L850-Q861 HydrophobicContact CD2-CB 3.76Å; L850-Q861 HydrophobicContact CD2-CG 4.12Å; L850-Q861 HydrophobicContact CG-CB 4.43Å; S858-Q861 WeakPolarHBondContact O-CB 3.32Å; S858-Q861 WeakPolarHBondContact O-CG 3.46Å; S858-Q861 PolarHBondContact O-N 3.35Å; S858-Q861 WeakPolarHBondContact OG-CG 3.33Å; S858-Q861 PolarHBondContact OG-NE2 2.82Å; P859-Q861 PolarHBondContact O-N 2.96Å
862F68.6Low62.7Low10 Ų1070.9 Ų70.94%0.04437%0.372CS..G310 helixtrans-95.212.1-175.4-61.5-91.6000113L850 F857 P859 E860 H887 I888 L891L850-F862 HydrophobicContact CB-CZ 4.3Å; L850-F862 HydrophobicContact CD1-CD1 3.96Å; L850-F862 HydrophobicContact CD1-CD2 4.3Å; L850-F862 HydrophobicContact CD1-CE1 3.69Å; L850-F862 HydrophobicContact CD1-CE2 4.02Å; L850-F862 HydrophobicContact CD1-CG 4.25Å; L850-F862 HydrophobicContact CD1-CZ 3.71Å; F857-F862 HydrophobicContact CB-CE2 4.16Å; F857-F862 HydrophobicContact CD1-CE2 4.09Å; F857-F862 AromaticContact CD1-CZ 3.8Å; F857-F862 HydrophobicContact CD1-CZ 3.8Å; F857-F862 HydrophobicContact CE1-CZ 4.39Å; F857-F862 HydrophobicContact CG-CE2 4.46Å; F857-F862 HydrophobicContact CG-CZ 4.39Å; P859-F862 PolarHBondContact O-N 3.15Å; E860-F862 PolarHBondContact O-N 3.22Å; F862-H887 HydrophobicContact CB-CB 4.19Å; F862-H887 HydrophobicContact CD1-CB 4.02Å; F862-H887 HydrophobicContact CG-CB 4.16Å; F862-I888 HydrophobicContact CD2-CD1 4.15Å; F862-I888 HydrophobicContact CD2-CG1 3.77Å; F862-I888 HydrophobicContact CE2-CD1 4.04Å; F862-I888 HydrophobicContact CE2-CG1 3.53Å; F862-I888 HydrophobicContact CZ-CG1 4.2Å; F862-L891 HydrophobicContact CE1-CD1 4.31Å; F862-L891 HydrophobicContact CE1-CD2 4.49Å; F862-L891 HydrophobicContact CZ-CD1 3.89Å
863L71.3Confident64.1Low5 Ų565.1 Ų65.13%0.02635%0.35CS..SBendtrans-103154.2179.4-59.8179.7000112.6Q846 E860 L876 L880 L883Q846-L863 PolarHBondContact NE2-O 3.3Å; E860-L863 PolarHBondContact O-N 3.45Å; L863-L876 HydrophobicContact CD1-CD2 3.54Å; L863-L880 HydrophobicContact CD1-CB 3.96Å; L863-L880 HydrophobicContact CD1-CD2 4.38Å; L863-L880 HydrophobicContact CD2-CD2 4.34Å; L863-L883 HydrophobicContact CD2-CB 4.26Å; L863-L883 HydrophobicContact CD2-CD2 3.99Å; L863-L883 HydrophobicContact CD2-CG 4.15Å
864P60.1Low65.4Low23 Ų2363.6 Ų63.615%0.14935%0.345CS..PPolyproline II helixtrans-62.1140.7172.7-21.333.1000112.1M838 V842M838-P864 HydrophobicContact CB-CG 4.12Å; M838-P864 WeakPolarHBondContact O-CG 3.3Å; V842-P864 HydrophobicContact CG2-CG 3.81Å
865R62.6Low66.9Low122 Ų12256 Ų5646%0.4632%0.321SS..PPolyproline II helixtrans-76.4126.5173.8-65.4170.5-176.2-96.1-7.3110
866L54.9Low67.8Low89 Ų8953.3 Ų53.347%0.46630%0.298SS..BIsolated β-bridgetrans-90.9121176.3-62.4173.1000108.5G868 V869 V871 I995L866-G868 PolarHBondContact O-N 3.47Å; L866-V869 PolarHBondContact N-O 2.87Å; L866-V869 PolarHBondContact O-N 3.36Å; L866-V871 HydrophobicContact CD1-CG2 4.46Å; L866-I995 HydrophobicContact CD1-CD1 3.75Å; L866-I995 HydrophobicContact CD2-CD1 3.84Å; L866-I995 HydrophobicContact CG-CD1 4.47Å
867D39.6Very low68.4Low172 Ų17253.1 Ų53.192%0.9230%0.299SS*.THydrogen-bonded Turntrans48.233.1-177.1-58.7-30.1000114.4V869D867-V869 VanDerWaalsContact C-N 3.31Å; D867-V869 PolarHBondContact O-N 3.12Å
868G52.4Low68.4Low57 Ų5751.7 Ų51.759%0.58829%0.292SS*.THydrogen-bonded Turntrans84.7-10.5-178.800000115.5L866L866-G868 PolarHBondContact O-N 3.47Å
869V49.8Very low67.9Low95 Ų9551.6 Ų51.658%0.57629%0.291SS*.BIsolated β-bridgetrans-87.5139.6-178.6-168.20000110.4L866 D867L866-V869 PolarHBondContact N-O 2.87Å; L866-V869 PolarHBondContact O-N 3.36Å; D867-V869 VanDerWaalsContact C-N 3.31Å; D867-V869 PolarHBondContact O-N 3.12Å
870P62.6Low67.8Low84 Ų8452.7 Ų52.755%0.54530%0.297SS..PPolyproline II helixtrans-61.4146.5167.7-19.632.2000111.7
871V70.4Confident68.1Low22 Ų2250.4 Ų50.413%0.13329%0.286CS..PPolyproline II helixtrans-71.2129.3166.2-1790000108L866 S875 L876L866-V871 HydrophobicContact CD1-CG2 4.46Å; V871-S875 WeakPolarHBondContact CG1-OG 3.41Å; V871-L876 HydrophobicContact CG1-CD2 3.83Å
872D74.9Confident68.2Low99 Ų9948 Ų4853%0.52928%0.275SS..PPolyproline II helixtrans-77.2132.5178.1175.518.1000110.5D874 S875 L876D872-D874 PolarHBondContact O-N 2.88Å; D872-D874 VanDerWaalsContact O-N 3.1Å; D872-D874 PolarHBondContact OD1-N 3.32Å; D872-S875 WeakPolarHBondContact O-CA 3.27Å; D872-S875 WeakPolarHBondContact O-CB 3.18Å; D872-S875 PolarHBondContact O-N 2.79Å; D872-S875 PolarHBondContact O-OG 3.22Å; D872-L876 PolarHBondContact O-N 3.35Å
873Y76.5Confident68.4Low19 Ų1947.8 Ų47.88%0.07527%0.274CS..G310 helixtrans-45.2-42.2176.1-168.7-83.8000112.7E860 S875 L876 R921 H924 K925E860-Y873 WeakPolarHBondContact OE2-CB 3.35Å; E860-Y873 PolarHBondContact OE2-N 2.86Å; Y873-S875 PolarHBondContact O-N 3.12Å; Y873-L876 HydrophobicContact CD2-CD1 3.94Å; Y873-L876 HydrophobicContact CE2-CD1 4.28Å; Y873-L876 HydrophobicContact CG-CD1 4.25Å; Y873-L876 WeakPolarHBondContact O-CB 3.32Å; Y873-L876 WeakPolarHBondContact O-CG 3.49Å; Y873-L876 PolarHBondContact O-N 3.25Å; Y873-L876 VanDerWaalsContact O-N 3.13Å; Y873-R921 HydrophobicContact CE1-CG 3.76Å; Y873-R921 PolarHBondContact OH-O 2.9Å; Y873-R921 VanDerWaalsContact OH-O 3.04Å; Y873-H924 AromaticContact CZ-ND1 3.97Å; Y873-H924 PolarHBondContact OH-ND1 3.08Å; Y873-K925 HydrophobicContact CD1-CD 3.94Å; Y873-K925 HydrophobicContact CD1-CG 4.05Å; Y873-K925 HydrophobicContact CE1-CB 3.62Å; Y873-K925 HydrophobicContact CE1-CD 3.78Å; Y873-K925 HydrophobicContact CE1-CG 3.64Å; Y873-K925 PolarHBondContact OH-N 2.72Å
874D77.5Confident68.4Low69 Ų6947.6 Ų47.637%0.36927%0.273SS..G310 helixtrans-77.6-4.4-177-70.1-26.2000114.2D872 R921 K925D872-D874 PolarHBondContact O-N 2.88Å; D872-D874 VanDerWaalsContact O-N 3.1Å; D872-D874 PolarHBondContact OD1-N 3.32Å; D874-R921 PolarHBondContact O-NH1 3.38Å; D874-R921 PolarHBondContact O-NH2 2.96Å; D874-R921 IonicContact OD1-NH2 3.83Å; D874-K925 WeakPolarHBondContact OD1-CE 3.46Å; D874-K925 IonicContact OD1-NZ 2.65Å; D874-K925 PolarHBondContact OD1-NZ 3.23Å; D874-K925 IonicContact OD2-NZ 3.55Å; D874-K925 PolarHBondContact OD2-NZ 3.22Å
875S78.9Confident69.3Low66 Ų6646.6 Ų46.646%0.46227%0.266SS..G310 helixtrans-97.2-8.3168.875.20000114.2V871 D872 Y873 T877V871-S875 WeakPolarHBondContact CG1-OG 3.41Å; D872-S875 WeakPolarHBondContact O-CA 3.27Å; D872-S875 WeakPolarHBondContact O-CB 3.18Å; D872-S875 PolarHBondContact O-N 2.79Å; D872-S875 PolarHBondContact O-OG 3.22Å; Y873-S875 PolarHBondContact O-N 3.12Å; S875-T877 PolarHBondContact O-N 3.08Å
876L78.6Confident69.7Low1 Ų142 Ų421%0.00525%0.25CC..  trans-62.9117.5-175.1-67.5174000112.9P859 E860 L863 V871 D872 Y873 L880 F881 W917 R921P859-L876 HydrophobicContact CB-CD1 4.49Å; E860-L876 HydrophobicContact CB-CD1 4.36Å; E860-L876 HydrophobicContact CB-CD2 4.43Å; L863-L876 HydrophobicContact CD1-CD2 3.54Å; V871-L876 HydrophobicContact CG1-CD2 3.83Å; D872-L876 PolarHBondContact O-N 3.35Å; Y873-L876 HydrophobicContact CD2-CD1 3.94Å; Y873-L876 HydrophobicContact CE2-CD1 4.28Å; Y873-L876 HydrophobicContact CG-CD1 4.25Å; Y873-L876 WeakPolarHBondContact O-CB 3.32Å; Y873-L876 WeakPolarHBondContact O-CG 3.49Å; Y873-L876 PolarHBondContact O-N 3.25Å; Y873-L876 VanDerWaalsContact O-N 3.13Å; L876-L880 HydrophobicContact CD2-CB 4.2Å; L876-F881 HydrophobicContact CD1-CD2 4.46Å; L876-W917 PolarHBondContact O-NE1 3.29Å; L876-R921 PolarHBondContact O-NH1 3.4Å
877T79.6Confident70.3Confident36 Ų3639.5 Ų39.522%0.22124%0.236CC..  trans-72.7162164.353.70000111S875 D879 L880 F881S875-T877 PolarHBondContact O-N 3.08Å; T877-D879 VanDerWaalsContact C-N 3.31Å; T877-D879 VanDerWaalsContact CB-OD1 3.3Å; T877-D879 WeakPolarHBondContact CB-OD1 3.38Å; T877-D879 PolarHBondContact O-N 3.39Å; T877-D879 PolarHBondContact OG1-OD1 2.78Å; T877-L880 PolarHBondContact O-N 3.28Å; T877-L880 WeakPolarHBondContact OG1-CD1 3.5Å; T877-L880 WeakPolarHBondContact OG1-CG 3.43Å; T877-F881 PolarHBondContact O-N 2.92Å
878L75.7Confident72.1Confident0 Ų031.3 Ų31.30%019%0.192CC..Hα-helixtrans-61.1-37.7-176.6175.957.4000112.4M882 L912 W917 N1000 I1003L878-M882 HydrophobicContact CD1-CG 4.22Å; L878-M882 HydrophobicContact CG-CE 4.31Å; L878-M882 WeakPolarHBondContact O-CB 3.48Å; L878-M882 VanDerWaalsContact O-CG 3.26Å; L878-M882 WeakPolarHBondContact O-CG 3.42Å; L878-M882 PolarHBondContact O-N 2.66Å; L878-L912 HydrophobicContact CD1-CD1 4.24Å; L878-L912 HydrophobicContact CD1-CD2 4.29Å; L878-L912 HydrophobicContact CD2-CD1 4.19Å; L878-L912 HydrophobicContact CD2-CD2 4.06Å; L878-W917 HydrophobicContact CB-CD2 4.07Å; L878-W917 HydrophobicContact CB-CE3 4.47Å; L878-W917 HydrophobicContact CB-CG 4.39Å; L878-W917 HydrophobicContact CD1-CD2 4.21Å; L878-W917 HydrophobicContact CD1-CE3 3.76Å; L878-W917 HydrophobicContact CD1-CH2 3.93Å; L878-W917 HydrophobicContact CD1-CZ2 4.34Å; L878-W917 HydrophobicContact CD1-CZ3 3.61Å; L878-N1000 WeakPolarHBondContact CB-OD1 3.24Å; L878-N1000 PolarHBondContact N-OD1 2.79Å; L878-I1003 HydrophobicContact CD2-CB 4.07Å; L878-I1003 HydrophobicContact CD2-CG2 3.57Å; L878-I1003 HydrophobicContact CG-CG2 4.02Å
879D68.5Low72.9Confident12 Ų1229.3 Ų29.36%0.06417%0.168CC..Hα-helixtrans-69.4-38177.866.6-34.3000113.4W835 T877 L883 I1003W835-D879 HydrophobicContact CZ2-CB 4.22Å; T877-D879 VanDerWaalsContact C-N 3.31Å; T877-D879 VanDerWaalsContact CB-OD1 3.3Å; T877-D879 WeakPolarHBondContact CB-OD1 3.38Å; T877-D879 PolarHBondContact O-N 3.39Å; T877-D879 PolarHBondContact OG1-OD1 2.78Å; D879-L883 WeakPolarHBondContact O-CB 3.1Å; D879-L883 PolarHBondContact O-N 3.3Å; D879-I1003 HydrophobicContact CB-CD1 3.95Å
880L75.3Confident73.6Confident23 Ų2329 Ų2912%0.1216%0.16CC..Hα-helixtrans-69.6-40.4174.1-69.4179.2000111.9M838 L863 L876 T877 L883 G884M838-L880 HydrophobicContact CE-CD2 4.37Å; M838-L880 HydrophobicContact SD-CD2 4.12Å; L863-L880 HydrophobicContact CD1-CB 3.96Å; L863-L880 HydrophobicContact CD1-CD2 4.38Å; L863-L880 HydrophobicContact CD2-CD2 4.34Å; L876-L880 HydrophobicContact CD2-CB 4.2Å; T877-L880 PolarHBondContact O-N 3.28Å; T877-L880 WeakPolarHBondContact OG1-CD1 3.5Å; T877-L880 WeakPolarHBondContact OG1-CG 3.43Å; L880-L883 PolarHBondContact O-N 3.45Å; L880-G884 PolarHBondContact O-N 3.45Å
881F81Confident73.8Confident2 Ų225.8 Ų25.81%0.00914%0.138CC..Hα-helixtrans-61.3-48.7173178.6-83.6000111.3P859 L876 T877 L883 G884 Y885 V908 W917 H924P859-F881 HydrophobicContact CB-CD2 4.3Å; P859-F881 HydrophobicContact CG-CD2 3.97Å; P859-F881 HydrophobicContact CG-CE2 3.81Å; P859-F881 HydrophobicContact CG-CZ 4.37Å; L876-F881 HydrophobicContact CD1-CD2 4.46Å; T877-F881 PolarHBondContact O-N 2.92Å; F881-L883 VanDerWaalsContact C-N 3.31Å; F881-L883 PolarHBondContact O-N 2.74Å; F881-G884 PolarHBondContact O-N 3.27Å; F881-Y885 HydrophobicContact CE1-CD2 4.12Å; F881-Y885 HydrophobicContact CE1-CG 4.11Å; F881-Y885 AromaticContact CZ-CD2 3.8Å; F881-Y885 HydrophobicContact CZ-CD2 3.8Å; F881-Y885 HydrophobicContact CZ-CE2 4.46Å; F881-Y885 HydrophobicContact CZ-CG 4.27Å; F881-Y885 WeakPolarHBondContact O-CB 3.27Å; F881-Y885 PolarHBondContact O-N 2.99Å; F881-V908 HydrophobicContact CE1-CG1 4.08Å; F881-V908 HydrophobicContact CZ-CG1 4.49Å; F881-W917 HydrophobicContact CB-CH2 3.85Å; F881-W917 HydrophobicContact CB-CZ2 3.54Å; F881-W917 AromaticContact CD1-CH2 3.58Å; F881-W917 HydrophobicContact CD1-CH2 3.58Å; F881-W917 HydrophobicContact CD1-CZ2 4.2Å; F881-W917 AromaticContact CD2-CH2 3.9Å; F881-W917 HydrophobicContact CD2-CH2 3.9Å; F881-W917 HydrophobicContact CD2-CZ2 4.01Å; F881-W917 HydrophobicContact CE1-CH2 4.09Å; F881-W917 HydrophobicContact CE2-CH2 4.35Å; F881-W917 AromaticContact CG-CH2 3.49Å; F881-W917 HydrophobicContact CG-CH2 3.49Å; F881-W917 VanDerWaalsContact CG-CH2 3.49Å; F881-W917 AromaticContact CG-CZ2 3.66Å; F881-W917 HydrophobicContact CG-CZ2 3.66Å; F881-W917 HydrophobicContact CZ-CH2 4.45Å; F881-H924 AromaticContact CE2-CE1 3.97Å; F881-H924 AromaticContact CE2-CG 3.88Å; F881-H924 AromaticContact CE2-ND1 3.69Å; F881-H924 HydrophobicContact CZ-CB 4.45Å; F881-H924 AromaticContact CZ-CD2 3.77Å; F881-H924 AromaticContact CZ-CG 3.79Å; F881-H924 AromaticContact CZ-ND1 3.99Å; F881-H924 AromaticContact CZ-NE2 3.98Å
882M74.3Confident73.3Confident2 Ų230 Ų301%0.0116%0.16CC..Hα-helixtrans-56.5-46.2176.1-77-163.6-68.200111.6W835 L878 Y885 F886 F909 I1003 I1007W835-M882 HydrophobicContact CH2-CB 3.92Å; W835-M882 HydrophobicContact CH2-CE 3.96Å; W835-M882 HydrophobicContact CH2-SD 4.41Å; W835-M882 HydrophobicContact CZ2-CB 4.19Å; W835-M882 HydrophobicContact CZ2-CE 3.94Å; L878-M882 HydrophobicContact CD1-CG 4.22Å; L878-M882 HydrophobicContact CG-CE 4.31Å; L878-M882 WeakPolarHBondContact O-CB 3.48Å; L878-M882 VanDerWaalsContact O-CG 3.26Å; L878-M882 WeakPolarHBondContact O-CG 3.42Å; L878-M882 PolarHBondContact O-N 2.66Å; M882-Y885 PolarHBondContact O-N 3.25Å; M882-F886 HydrophobicContact CB-CD2 4.32Å; M882-F886 HydrophobicContact CB-CE2 3.89Å; M882-F886 HydrophobicContact CB-CZ 4.49Å; M882-F886 HydrophobicContact CG-CE2 4.3Å; M882-F886 HydrophobicContact CG-CZ 4.49Å; M882-F886 WeakPolarHBondContact O-CB 3.49Å; M882-F886 WeakPolarHBondContact O-CD2 3.38Å; M882-F886 VanDerWaalsContact O-CG 3.28Å; M882-F886 WeakPolarHBondContact O-CG 3.46Å; M882-F886 PolarHBondContact O-N 3.36Å; M882-F886 HydrophobicContact SD-CE2 4.34Å; M882-F886 HydrophobicContact SD-CZ 4.5Å; M882-F909 HydrophobicContact CG-CE1 4Å; M882-F909 HydrophobicContact CG-CZ 3.81Å; M882-F909 HydrophobicContact SD-CE1 3.77Å; M882-F909 HydrophobicContact SD-CZ 4.02Å; M882-I1003 HydrophobicContact CE-CG2 3.59Å; M882-I1007 HydrophobicContact SD-CD1 4.44Å
883L72.1Confident73.1Confident6 Ų625.8 Ų25.83%0.03114%0.137CC..Hα-helixtrans-59.4-49.4-180-175.861.8000111.6W835 M838 I839 L863 D879 L880 F881 H887W835-L883 HydrophobicContact CB-CD1 4.02Å; W835-L883 HydrophobicContact CD2-CD1 4.08Å; W835-L883 HydrophobicContact CE3-CD1 4.27Å; W835-L883 HydrophobicContact CG-CD1 3.99Å; M838-L883 HydrophobicContact CB-CD2 4.12Å; M838-L883 HydrophobicContact CE-CD2 3.72Å; M838-L883 HydrophobicContact SD-CD2 4.36Å; I839-L883 HydrophobicContact CD1-CD1 3.91Å; I839-L883 HydrophobicContact CG1-CD1 3.96Å; L863-L883 HydrophobicContact CD2-CB 4.26Å; L863-L883 HydrophobicContact CD2-CD2 3.99Å; L863-L883 HydrophobicContact CD2-CG 4.15Å; D879-L883 WeakPolarHBondContact O-CB 3.1Å; D879-L883 PolarHBondContact O-N 3.3Å; L880-L883 PolarHBondContact O-N 3.45Å; F881-L883 VanDerWaalsContact C-N 3.31Å; F881-L883 PolarHBondContact O-N 2.74Å; L883-H887 PolarHBondContact O-ND1 3.22Å
884G71.3Confident73Confident0 Ų028.6 Ų28.60%016%0.158CC..Hα-helixtrans-67.9-41.7177.900000113.4P859 L880 F881 H887 I888P859-G884 WeakPolarHBondContact O-CA 3.2Å; L880-G884 PolarHBondContact O-N 3.45Å; F881-G884 PolarHBondContact O-N 3.27Å; G884-H887 PolarHBondContact O-N 3.17Å; G884-I888 PolarHBondContact O-N 3.17Å
885Y78.3Confident72.4Confident2 Ų229.5 Ų29.51%0.00817%0.166CC..Hα-helixtrans-69.1-37.1-176.4-161.4-86.1000112.8P859 F881 M882 H887 I888 L889 R901 C905 H924P859-Y885 HydrophobicContact CG-CD2 3.79Å; P859-Y885 HydrophobicContact CG-CG 4.48Å; F881-Y885 HydrophobicContact CE1-CD2 4.12Å; F881-Y885 HydrophobicContact CE1-CG 4.11Å; F881-Y885 AromaticContact CZ-CD2 3.8Å; F881-Y885 HydrophobicContact CZ-CD2 3.8Å; F881-Y885 HydrophobicContact CZ-CE2 4.46Å; F881-Y885 HydrophobicContact CZ-CG 4.27Å; F881-Y885 WeakPolarHBondContact O-CB 3.27Å; F881-Y885 PolarHBondContact O-N 2.99Å; M882-Y885 PolarHBondContact O-N 3.25Å; Y885-H887 VanDerWaalsContact C-N 3.34Å; Y885-H887 PolarHBondContact O-N 3.4Å; Y885-I888 WeakPolarHBondContact O-CB 3.42Å; Y885-I888 PolarHBondContact O-N 2.96Å; Y885-I888 VanDerWaalsContact O-N 3.14Å; Y885-L889 HydrophobicContact CD1-CD1 4.1Å; Y885-L889 HydrophobicContact CD1-CD2 4.45Å; Y885-L889 HydrophobicContact CD1-CG 3.98Å; Y885-L889 HydrophobicContact CE1-CD1 3.91Å; Y885-L889 HydrophobicContact CE1-CD2 3.75Å; Y885-L889 HydrophobicContact CE1-CG 3.77Å; Y885-L889 PolarHBondContact O-N 3.23Å; Y885-L889 VanDerWaalsContact O-N 3.13Å; Y885-R901 WeakPolarHBondContact OH-CA 2.94Å; Y885-R901 WeakPolarHBondContact OH-CB 3.4Å; Y885-R901 PolarHBondContact OH-O 2.91Å; Y885-C905 HydrophobicContact CE1-CB 3.72Å; Y885-H924 AromaticContact CD2-NE2 3.78Å; Y885-H924 AromaticContact CE2-NE2 3.18Å; Y885-H924 WeakPolarHBondContact CE2-NE2 3.2Å
886F71.9Confident72.1Confident25 Ų2530 Ų3011%0.1116%0.163CC..Hα-helixtrans-66-34.3176.2-65.3-37.9000112.6F764 W835 M882 I888 L889 E890 F909F764-F886 HydrophobicContact CD1-CE2 4.37Å; F764-F886 HydrophobicContact CD1-CZ 4.19Å; F764-F886 HydrophobicContact CE1-CE2 4.03Å; F764-F886 AromaticContact CE1-CZ 3.89Å; F764-F886 HydrophobicContact CE1-CZ 3.89Å; F764-F886 HydrophobicContact CZ-CZ 4.35Å; W835-F886 HydrophobicContact CH2-CE2 4.43Å; W835-F886 HydrophobicContact CZ3-CD2 4.48Å; W835-F886 HydrophobicContact CZ3-CE2 4.48Å; M882-F886 HydrophobicContact CB-CD2 4.32Å; M882-F886 HydrophobicContact CB-CE2 3.89Å; M882-F886 HydrophobicContact CB-CZ 4.49Å; M882-F886 HydrophobicContact CG-CE2 4.3Å; M882-F886 HydrophobicContact CG-CZ 4.49Å; M882-F886 WeakPolarHBondContact O-CB 3.49Å; M882-F886 WeakPolarHBondContact O-CD2 3.38Å; M882-F886 VanDerWaalsContact O-CG 3.28Å; M882-F886 WeakPolarHBondContact O-CG 3.46Å; M882-F886 PolarHBondContact O-N 3.36Å; M882-F886 HydrophobicContact SD-CE2 4.34Å; M882-F886 HydrophobicContact SD-CZ 4.5Å; F886-I888 VanDerWaalsContact C-N 3.3Å; F886-I888 PolarHBondContact O-N 3.25Å; F886-L889 HydrophobicContact CD1-CD1 4.44Å; F886-L889 PolarHBondContact O-N 3.49Å; F886-E890 WeakPolarHBondContact O-CG 3.4Å; F886-E890 PolarHBondContact O-N 3.2Å; F886-E890 VanDerWaalsContact O-N 3.15Å; F886-F909 HydrophobicContact CE1-CE2 4.34Å; F886-F909 HydrophobicContact CE1-CZ 4.37Å; F886-F909 HydrophobicContact CZ-CE2 4.41Å; F886-F909 HydrophobicContact CZ-CZ 4.03Å
887H68Low72.2Confident37 Ų3730.7 Ų30.717%0.17117%0.166CC..Hα-helixtrans-62.6-37.9171.3-72.382.6000111.7F862 L883 G884 Y885 L889 E890 L891F862-H887 HydrophobicContact CB-CB 4.19Å; F862-H887 HydrophobicContact CD1-CB 4.02Å; F862-H887 HydrophobicContact CG-CB 4.16Å; L883-H887 PolarHBondContact O-ND1 3.22Å; G884-H887 PolarHBondContact O-N 3.17Å; Y885-H887 VanDerWaalsContact C-N 3.34Å; Y885-H887 PolarHBondContact O-N 3.4Å; H887-L889 VanDerWaalsContact C-N 3.31Å; H887-L889 PolarHBondContact O-N 3.24Å; H887-E890 PolarHBondContact O-N 3.41Å; H887-E890 VanDerWaalsContact O-N 3.16Å; H887-L891 WeakPolarHBondContact O-CG 3.44Å
888I75.9Confident71.9Confident0 Ų031.2 Ų31.20%016%0.164CC..Hα-helixtrans-62.7-37.8175.4-62.9170.9000111.4F857 P859 F862 G884 Y885 F886 E890 L891 L893F857-I888 HydrophobicContact CB-CD1 3.87Å; F857-I888 HydrophobicContact CB-CG1 3.94Å; F857-I888 HydrophobicContact CB-CG2 3.96Å; P859-I888 HydrophobicContact CG-CD1 4.18Å; F862-I888 HydrophobicContact CD2-CD1 4.15Å; F862-I888 HydrophobicContact CD2-CG1 3.77Å; F862-I888 HydrophobicContact CE2-CD1 4.04Å; F862-I888 HydrophobicContact CE2-CG1 3.53Å; F862-I888 HydrophobicContact CZ-CG1 4.2Å; G884-I888 PolarHBondContact O-N 3.17Å; Y885-I888 WeakPolarHBondContact O-CB 3.42Å; Y885-I888 PolarHBondContact O-N 2.96Å; Y885-I888 VanDerWaalsContact O-N 3.14Å; F886-I888 VanDerWaalsContact C-N 3.3Å; F886-I888 PolarHBondContact O-N 3.25Å; I888-E890 VanDerWaalsContact C-N 3.29Å; I888-E890 PolarHBondContact O-N 3.08Å; I888-L891 WeakPolarHBondContact O-CB 3.22Å; I888-L891 PolarHBondContact O-N 2.84Å; I888-L893 HydrophobicContact CG2-CD1 4.29Å
889L69.3Low71.6Confident16 Ų1635.4 Ų35.48%0.08418%0.182CC..Hα-helixtrans-71.9-21176.5-63.6-172.1000113.8Y885 F886 H887 L891 R901Y885-L889 HydrophobicContact CD1-CD1 4.1Å; Y885-L889 HydrophobicContact CD1-CD2 4.45Å; Y885-L889 HydrophobicContact CD1-CG 3.98Å; Y885-L889 HydrophobicContact CE1-CD1 3.91Å; Y885-L889 HydrophobicContact CE1-CD2 3.75Å; Y885-L889 HydrophobicContact CE1-CG 3.77Å; Y885-L889 PolarHBondContact O-N 3.23Å; Y885-L889 VanDerWaalsContact O-N 3.13Å; F886-L889 HydrophobicContact CD1-CD1 4.44Å; F886-L889 PolarHBondContact O-N 3.49Å; H887-L889 VanDerWaalsContact C-N 3.31Å; H887-L889 PolarHBondContact O-N 3.24Å; L889-L891 VanDerWaalsContact C-N 3.29Å; L889-R901 HydrophobicContact CD2-CB 3.88Å
890E65.8Low71.9Confident88 Ų8835.5 Ų35.541%0.41118%0.183SC..Hα-helixtrans-77.5-11.9173.3-70.3176.1172.600112.8V761 F886 H887 I888V761-E890 HydrophobicContact CG2-CG 3.98Å; F886-E890 WeakPolarHBondContact O-CG 3.4Å; F886-E890 PolarHBondContact O-N 3.2Å; F886-E890 VanDerWaalsContact O-N 3.15Å; H887-E890 PolarHBondContact O-N 3.41Å; H887-E890 VanDerWaalsContact O-N 3.16Å; I888-E890 VanDerWaalsContact C-N 3.29Å; I888-E890 PolarHBondContact O-N 3.08Å
891L65.3Low72.2Confident17 Ų1734.4 Ų34.49%0.08918%0.177CC..SBendtrans-74.6159.2-177.7-57.9178.6000115.1F857 F862 H887 I888 L889 L893 R898F857-L891 HydrophobicContact CD1-CD1 4.13Å; F857-L891 HydrophobicContact CD2-CD1 3.82Å; F857-L891 HydrophobicContact CE1-CD1 4.15Å; F857-L891 HydrophobicContact CE2-CD1 3.84Å; F857-L891 HydrophobicContact CG-CD1 3.96Å; F857-L891 HydrophobicContact CZ-CD1 4.01Å; F862-L891 HydrophobicContact CE1-CD1 4.31Å; F862-L891 HydrophobicContact CE1-CD2 4.49Å; F862-L891 HydrophobicContact CZ-CD1 3.89Å; H887-L891 WeakPolarHBondContact O-CG 3.44Å; I888-L891 WeakPolarHBondContact O-CB 3.22Å; I888-L891 PolarHBondContact O-N 2.84Å; L889-L891 VanDerWaalsContact C-N 3.29Å; L891-L893 HydrophobicContact CB-CD2 3.94Å; L891-L893 HydrophobicContact CB-CG 4Å; L891-L893 HydrophobicContact CD1-CD2 4.37Å; L891-L893 PolarHBondContact O-N 3.03Å; L891-R898 PolarHBondContact O-NH2 3.26Å
892D61.5Low71.8Confident110 Ų11035.4 Ų35.459%0.58818%0.181SC*.  trans-75.252173.6-8568.2000113.5K757K757-D892 WeakPolarHBondContact CE-OD1 3.29Å; K757-D892 IonicContact NZ-OD1 3.19Å; K757-D892 PolarHBondContact NZ-OD1 2.94Å; K757-D892 IonicContact NZ-OD2 3.89Å; K757-D892 PolarHBondContact NZ-OD2 3.18Å
893L70.4Confident71.8Confident11 Ų1137.7 Ų37.76%0.05819%0.194CC..  trans-68.1153.7176.2-53.4-178.4000112.5F857 I888 L891 E897 R898F857-L893 HydrophobicContact CD2-CD2 3.73Å; F857-L893 HydrophobicContact CE2-CD2 3.59Å; I888-L893 HydrophobicContact CG2-CD1 4.29Å; L891-L893 HydrophobicContact CB-CD2 3.94Å; L891-L893 HydrophobicContact CB-CG 4Å; L891-L893 HydrophobicContact CD1-CD2 4.37Å; L891-L893 PolarHBondContact O-N 3.03Å; L893-E897 HydrophobicContact CB-CG 4.37Å; L893-E897 HydrophobicContact CD1-CG 4.15Å; L893-R898 HydrophobicContact CB-CB 4.42Å; L893-R898 PolarHBondContact O-NH1 3.3Å; L893-R898 PolarHBondContact O-NH2 3.2Å
894P73.9Confident72.2Confident77 Ų7737.4 Ų37.450%0.519%0.192SC..  trans-64160.4168.726.1-31.3000111.5D896 E897 R898P894-D896 PolarHBondContact O-N 2.72Å; P894-E897 WeakPolarHBondContact CD-OE2 3.26Å; P894-E897 HydrophobicContact CG-CB 3.82Å; P894-E897 PolarHBondContact O-N 3.11Å; P894-R898 WeakPolarHBondContact O-CB 3.41Å; P894-R898 PolarHBondContact O-N 2.85Å
895V65.6Low72.5Confident89 Ų8937.8 Ų37.854%0.53919%0.194SC..Hα-helixtrans-61.6-43-169.8-178.30000112.5R898 K899V895-R898 PolarHBondContact O-N 3.27Å; V895-K899 WeakPolarHBondContact O-CB 3.46Å; V895-K899 PolarHBondContact O-N 3.05Å
896D72.7Confident72.2Confident75 Ų7538.1 Ų38.140%0.40120%0.196SC..Hα-helixtrans-64.7-49.7179.7-56.3-47.9000111.7P894 R898 K899 M900 W938 K939P894-D896 PolarHBondContact O-N 2.72Å; D896-R898 VanDerWaalsContact C-N 3.33Å; D896-R898 PolarHBondContact O-N 2.86Å; D896-K899 PolarHBondContact O-N 3.34Å; D896-M900 WeakPolarHBondContact O-CB 3.24Å; D896-M900 PolarHBondContact O-N 2.89Å; D896-W938 HydrophobicContact CB-CB 4.48Å; D896-K939 HydrophobicContact CB-CG 3.94Å; D896-K939 WeakPolarHBondContact OD2-CE 3.43Å; D896-K939 IonicContact OD2-NZ 2.73Å
897E80.6Confident72.4Confident17 Ų1738.2 Ų38.28%0.07920%0.197CC..Hα-helixtrans-60-42.2175.5179.4171.9-173.200111.5L893 P894 M900 R901 W938L893-E897 HydrophobicContact CB-CG 4.37Å; L893-E897 HydrophobicContact CD1-CG 4.15Å; P894-E897 WeakPolarHBondContact CD-OE2 3.26Å; P894-E897 HydrophobicContact CG-CB 3.82Å; P894-E897 PolarHBondContact O-N 3.11Å; E897-M900 PolarHBondContact O-N 3.41Å; E897-R901 HydrophobicContact CG-CG 4.2Å; E897-R901 VanDerWaalsContact O-CB 3.3Å; E897-R901 WeakPolarHBondContact O-CB 3.49Å; E897-R901 WeakPolarHBondContact O-CG 3.36Å; E897-R901 PolarHBondContact O-N 2.82Å; E897-R901 IonicContact OE1-CZ 3.98Å; E897-R901 IonicContact OE1-NE 2.85Å; E897-R901 PolarHBondContact OE1-NE 2.96Å; E897-R901 IonicContact OE1-NH2 3.2Å; E897-R901 PolarHBondContact OE1-NH2 3.34Å; E897-W938 HydrophobicContact CB-CB 4.21Å; E897-W938 HydrophobicContact CB-CD2 3.98Å; E897-W938 HydrophobicContact CB-CG 3.77Å; E897-W938 HydrophobicContact CG-CD2 3.73Å; E897-W938 HydrophobicContact CG-CE3 4.27Å; E897-W938 HydrophobicContact CG-CG 4.04Å; E897-W938 HydrophobicContact CG-CH2 4.41Å; E897-W938 HydrophobicContact CG-CZ2 3.88Å; E897-W938 WeakPolarHBondContact OE1-CZ2 3.47Å
898R72.6Confident72.9Confident47 Ų4736.5 Ų36.518%0.17719%0.189CC..Hα-helixtrans-59.8-48.2174.9-175.3178.1-70.893.88.7110.6L891 L893 P894 V895 D896 H902L891-R898 PolarHBondContact O-NH2 3.26Å; L893-R898 HydrophobicContact CB-CB 4.42Å; L893-R898 PolarHBondContact O-NH1 3.3Å; L893-R898 PolarHBondContact O-NH2 3.2Å; P894-R898 WeakPolarHBondContact O-CB 3.41Å; P894-R898 PolarHBondContact O-N 2.85Å; V895-R898 PolarHBondContact O-N 3.27Å; D896-R898 VanDerWaalsContact C-N 3.33Å; D896-R898 PolarHBondContact O-N 2.86Å; R898-H902 PolarHBondContact O-N 2.94Å; R898-H902 PolarHBondContact O-ND1 2.89Å
899K69.9Low72.8Confident87 Ų8736.9 Ų36.938%0.37819%0.191SC..Hα-helixtrans-60.1-49178.7-176.1174.5-177.8178.50111.1V895 D896 H902 L903 F1022V895-K899 WeakPolarHBondContact O-CB 3.46Å; V895-K899 PolarHBondContact O-N 3.05Å; D896-K899 PolarHBondContact O-N 3.34Å; K899-H902 PolarHBondContact O-N 3.39Å; K899-L903 HydrophobicContact CG-CD1 4.38Å; K899-L903 PolarHBondContact O-N 3.45Å; K899-F1022 HydrophobicContact CD-CE1 3.92Å; K899-F1022 HydrophobicContact CG-CE1 3.89Å; K899-F1022 HydrophobicContact CG-CZ 4Å
900M75.1Confident73Confident15 Ų1539.4 Ų39.47%0.07420%0.204CC..Hα-helixtrans-68.7-39.2-177.3-167.462.171.900112.9D896 E897 H902 L903 L904 W938 D940 F942D896-M900 WeakPolarHBondContact O-CB 3.24Å; D896-M900 PolarHBondContact O-N 2.89Å; E897-M900 PolarHBondContact O-N 3.41Å; M900-H902 VanDerWaalsContact C-N 3.32Å; M900-H902 PolarHBondContact O-N 2.86Å; M900-L903 PolarHBondContact O-N 3.43Å; M900-L904 WeakPolarHBondContact O-CB 3.28Å; M900-L904 PolarHBondContact O-N 2.89Å; M900-W938 HydrophobicContact CB-CE3 3.79Å; M900-W938 HydrophobicContact CB-CZ3 4.41Å; M900-W938 VanDerWaalsContact CB-O 3.3Å; M900-W938 WeakPolarHBondContact CB-O 3.37Å; M900-W938 VanDerWaalsContact CE-O 3.26Å; M900-W938 WeakPolarHBondContact CE-O 3.43Å; M900-W938 HydrophobicContact CG-CE3 3.76Å; M900-W938 HydrophobicContact CG-CZ3 4.23Å; M900-D940 VanDerWaalsContact CE-O 3.27Å; M900-D940 WeakPolarHBondContact CE-O 3.45Å; M900-F942 HydrophobicContact CG-CD1 4.49Å; M900-F942 HydrophobicContact SD-CD1 3.63Å; M900-F942 HydrophobicContact SD-CE1 3.71Å
901R79.9Confident73.4Confident0 Ų036.7 Ų36.70%019%0.191CC..Hα-helixtrans-64.5-34.1171.9-72.4-169.7-170.6-105.39.5112.2F857 Y885 L889 E897 C905 W938F857-R901 PolarHBondContact O-NH1 3.15Å; F857-R901 PolarHBondContact O-NH2 2.95Å; Y885-R901 WeakPolarHBondContact OH-CA 2.94Å; Y885-R901 WeakPolarHBondContact OH-CB 3.4Å; Y885-R901 PolarHBondContact OH-O 2.91Å; L889-R901 HydrophobicContact CD2-CB 3.88Å; E897-R901 HydrophobicContact CG-CG 4.2Å; E897-R901 VanDerWaalsContact O-CB 3.3Å; E897-R901 WeakPolarHBondContact O-CB 3.49Å; E897-R901 WeakPolarHBondContact O-CG 3.36Å; E897-R901 PolarHBondContact O-N 2.82Å; E897-R901 IonicContact OE1-CZ 3.98Å; E897-R901 IonicContact OE1-NE 2.85Å; E897-R901 PolarHBondContact OE1-NE 2.96Å; E897-R901 IonicContact OE1-NH2 3.2Å; E897-R901 PolarHBondContact OE1-NH2 3.34Å; R901-C905 WeakPolarHBondContact O-CB 3.24Å; R901-C905 PolarHBondContact O-N 2.98Å; R901-W938 HydrophobicContact CG-CH2 3.73Å; R901-W938 HydrophobicContact CG-CZ3 3.73Å
902H72.7Confident73.5Confident22 Ų2236.3 Ų36.310%0.10219%0.189CC..Hα-helixtrans-68.1-36.2173.2-77.369.2000112.8I760 R898 K899 M900 C905 F906I760-H902 VanDerWaalsContact CD1-NE2 3.3Å; I760-H902 WeakPolarHBondContact CD1-NE2 3.38Å; R898-H902 PolarHBondContact O-N 2.94Å; R898-H902 PolarHBondContact O-ND1 2.89Å; K899-H902 PolarHBondContact O-N 3.39Å; M900-H902 VanDerWaalsContact C-N 3.32Å; M900-H902 PolarHBondContact O-N 2.86Å; H902-C905 WeakPolarHBondContact O-CB 3.39Å; H902-F906 PolarHBondContact O-N 2.76Å
903L74.9Confident73.7Confident51 Ų5134.2 Ų34.227%0.26719%0.194SC..Hα-helixtrans-69.5-44.3173.2-68.1168.6000111.9K899 M900 C905 F906 E907 F942K899-L903 HydrophobicContact CG-CD1 4.38Å; K899-L903 PolarHBondContact O-N 3.45Å; M900-L903 PolarHBondContact O-N 3.43Å; L903-C905 VanDerWaalsContact C-N 3.31Å; L903-C905 PolarHBondContact O-N 3.29Å; L903-F906 WeakPolarHBondContact O-CB 2.94Å; L903-F906 PolarHBondContact O-N 2.9Å; L903-E907 WeakPolarHBondContact O-CG 3.37Å; L903-E907 PolarHBondContact O-N 3.22Å; L903-F942 HydrophobicContact CB-CE1 4.06Å; L903-F942 HydrophobicContact CB-CZ 4.16Å
904L79.9Confident73.8Confident0 Ų038.3 Ų38.30%022%0.219CC..Hα-helixtrans-64-38.2177.1-176.360.6000111.7M900 V908 F923 V927 V928 F942M900-L904 WeakPolarHBondContact O-CB 3.28Å; M900-L904 PolarHBondContact O-N 2.89Å; L904-V908 WeakPolarHBondContact O-CB 3.37Å; L904-V908 VanDerWaalsContact O-CG2 3.29Å; L904-V908 WeakPolarHBondContact O-CG2 3.31Å; L904-V908 PolarHBondContact O-N 3.07Å; L904-F923 HydrophobicContact CD1-CE1 3.78Å; L904-F923 HydrophobicContact CD1-CZ 3.97Å; L904-V927 HydrophobicContact CD1-CB 3.99Å; L904-V927 HydrophobicContact CD1-CG1 4.03Å; L904-V927 HydrophobicContact CD1-CG2 3.85Å; L904-V927 HydrophobicContact CD2-CB 4.09Å; L904-V927 HydrophobicContact CD2-CG1 3.81Å; L904-V928 HydrophobicContact CD2-CG2 4.49Å; L904-F942 HydrophobicContact CB-CE1 3.89Å; L904-F942 HydrophobicContact CB-CZ 4.24Å; L904-F942 HydrophobicContact CD1-CD1 4.41Å; L904-F942 HydrophobicContact CD1-CE1 4.24Å; L904-F942 HydrophobicContact CD1-CE2 4.42Å; L904-F942 HydrophobicContact CD1-CZ 4.26Å
905C77.8Confident74Confident7 Ų737.4 Ų37.45%0.04721%0.208CC..Hα-helixtrans-55.5-55.1168.8-174.30000110.8Y885 R901 H902 L903 E907 V908 F909Y885-C905 HydrophobicContact CE1-CB 3.72Å; R901-C905 WeakPolarHBondContact O-CB 3.24Å; R901-C905 PolarHBondContact O-N 2.98Å; H902-C905 WeakPolarHBondContact O-CB 3.39Å; L903-C905 VanDerWaalsContact C-N 3.31Å; L903-C905 PolarHBondContact O-N 3.29Å; C905-E907 VanDerWaalsContact C-N 3.34Å; C905-E907 PolarHBondContact O-N 2.96Å; C905-V908 WeakPolarHBondContact O-CB 3.23Å; C905-V908 PolarHBondContact O-N 3Å; C905-F909 WeakPolarHBondContact O-CD2 3.48Å; C905-F909 PolarHBondContact O-N 3.03Å; C905-F909 VanDerWaalsContact O-N 3.09Å; C905-F909 VanDerWaalsContact SG-CE2 3.52Å
906F72.1Confident74.7Confident10 Ų1036.6 Ų36.64%0.04420%0.204CC..Hα-helixtrans-53.6-49.3-179.5179.6-104.9000112.6H902 L903 V908 F909 D910 F1011 W1014 K1015H902-F906 PolarHBondContact O-N 2.76Å; L903-F906 WeakPolarHBondContact O-CB 2.94Å; L903-F906 PolarHBondContact O-N 2.9Å; F906-V908 PolarHBondContact O-N 3.29Å; F906-F909 CarbonylContact O-C 3.47Å; F906-F909 PolarHBondContact O-N 3.31Å; F906-D910 HydrophobicContact CE1-CB 4.25Å; F906-D910 HydrophobicContact CZ-CB 4.28Å; F906-D910 PolarHBondContact O-N 3.28Å; F906-F1011 HydrophobicContact CD2-CD1 4.38Å; F906-W1014 HydrophobicContact CB-CZ3 4.05Å; F906-W1014 AromaticContact CD2-CE3 3.79Å; F906-W1014 HydrophobicContact CD2-CE3 3.79Å; F906-W1014 AromaticContact CD2-CZ3 3.97Å; F906-W1014 HydrophobicContact CD2-CZ3 3.97Å; F906-W1014 HydrophobicContact CE2-CE3 4.48Å; F906-W1014 HydrophobicContact CG-CZ3 4.42Å; F906-K1015 HydrophobicContact CZ-CD 4.04Å; F906-K1015 HydrophobicContact CZ-CG 4.22Å
907E77.1Confident75.1Confident26 Ų2633.6 Ų33.612%0.12119%0.188CC..Hα-helixtrans-70.4-30.8-176.9-65.9-76.6173.400112.6L903 C905 F909 H911 F923 F942 K946L903-E907 WeakPolarHBondContact O-CG 3.37Å; L903-E907 PolarHBondContact O-N 3.22Å; C905-E907 VanDerWaalsContact C-N 3.34Å; C905-E907 PolarHBondContact O-N 2.96Å; E907-F909 VanDerWaalsContact C-N 3.3Å; E907-F909 PolarHBondContact O-N 3.32Å; E907-H911 PolarHBondContact O-CD2 3.48Å; E907-H911 PolarHBondContact O-N 3.06Å; E907-H911 IonicContact OE2-NE2 3.99Å; E907-F923 HydrophobicContact CB-CE1 4.27Å; E907-F923 HydrophobicContact CB-CZ 4.48Å; E907-F942 HydrophobicContact CB-CE2 3.99Å; E907-F942 HydrophobicContact CB-CZ 4.19Å; E907-F942 HydrophobicContact CG-CE2 3.76Å; E907-F942 HydrophobicContact CG-CZ 3.82Å; E907-K946 IonicContact OE1-NZ 3.24Å; E907-K946 PolarHBondContact OE1-NZ 2.63Å; E907-K946 WeakPolarHBondContact OE2-CD 3.28Å; E907-K946 WeakPolarHBondContact OE2-CE 3.45Å; E907-K946 IonicContact OE2-NZ 3.02Å; E907-K946 PolarHBondContact OE2-NZ 3.03Å
908V78.9Confident75.2Confident1 Ų137.4 Ų37.41%0.00621%0.205CC..Hα-helixtrans-62.9-35.1167.3160.30000111.7F881 L904 C905 F906 W917 I920 F923 H924F881-V908 HydrophobicContact CE1-CG1 4.08Å; F881-V908 HydrophobicContact CZ-CG1 4.49Å; L904-V908 WeakPolarHBondContact O-CB 3.37Å; L904-V908 VanDerWaalsContact O-CG2 3.29Å; L904-V908 WeakPolarHBondContact O-CG2 3.31Å; L904-V908 PolarHBondContact O-N 3.07Å; C905-V908 WeakPolarHBondContact O-CB 3.23Å; C905-V908 PolarHBondContact O-N 3Å; F906-V908 PolarHBondContact O-N 3.29Å; V908-W917 HydrophobicContact CG1-CZ3 4.24Å; V908-I920 HydrophobicContact CB-CG2 4.15Å; V908-I920 HydrophobicContact CG1-CG2 3.85Å; V908-I920 HydrophobicContact CG2-CG2 4.17Å; V908-I920 WeakPolarHBondContact O-CG2 3.31Å; V908-F923 HydrophobicContact CG2-CD1 4.2Å; V908-F923 HydrophobicContact CG2-CE1 4.28Å; V908-H924 HydrophobicContact CG2-CB 3.96Å
909F72.3Confident75.6Confident9 Ų937.6 Ų37.64%0.03921%0.211CC..Hα-helixtrans-87.7-36.7-179.7-73.3-71.9000114.6M882 F886 C905 F906 E907 H911 L912 I1007 F1011M882-F909 HydrophobicContact CG-CE1 4Å; M882-F909 HydrophobicContact CG-CZ 3.81Å; M882-F909 HydrophobicContact SD-CE1 3.77Å; M882-F909 HydrophobicContact SD-CZ 4.02Å; F886-F909 HydrophobicContact CE1-CE2 4.34Å; F886-F909 HydrophobicContact CE1-CZ 4.37Å; F886-F909 HydrophobicContact CZ-CE2 4.41Å; F886-F909 HydrophobicContact CZ-CZ 4.03Å; C905-F909 WeakPolarHBondContact O-CD2 3.48Å; C905-F909 PolarHBondContact O-N 3.03Å; C905-F909 VanDerWaalsContact O-N 3.09Å; C905-F909 VanDerWaalsContact SG-CE2 3.52Å; F906-F909 CarbonylContact O-C 3.47Å; F906-F909 PolarHBondContact O-N 3.31Å; E907-F909 VanDerWaalsContact C-N 3.3Å; E907-F909 PolarHBondContact O-N 3.32Å; F909-H911 PolarHBondContact O-N 3.5Å; F909-L912 HydrophobicContact CD1-CD1 3.54Å; F909-L912 HydrophobicContact CE1-CD1 4.12Å; F909-L912 HydrophobicContact CG-CD1 4.47Å; F909-L912 PolarHBondContact O-N 2.92Å; F909-I1007 HydrophobicContact CD1-CD1 4.12Å; F909-I1007 HydrophobicContact CD1-CG2 4.19Å; F909-I1007 HydrophobicContact CE1-CD1 4.13Å; F909-F1011 HydrophobicContact CB-CD1 4.17Å; F909-F1011 HydrophobicContact CB-CD2 4.45Å; F909-F1011 HydrophobicContact CB-CE1 3.6Å; F909-F1011 HydrophobicContact CB-CE2 3.9Å; F909-F1011 HydrophobicContact CB-CZ 3.45Å; F909-F1011 VanDerWaalsContact CB-CZ 3.45Å; F909-F1011 AromaticContact CD1-CE2 3.96Å; F909-F1011 HydrophobicContact CD1-CE2 3.96Å; F909-F1011 AromaticContact CD1-CZ 3.92Å; F909-F1011 HydrophobicContact CD1-CZ 3.92Å; F909-F1011 HydrophobicContact CD2-CE1 4.06Å; F909-F1011 HydrophobicContact CD2-CE2 4.34Å; F909-F1011 AromaticContact CD2-CZ 3.49Å; F909-F1011 HydrophobicContact CD2-CZ 3.49Å; F909-F1011 VanDerWaalsContact CD2-CZ 3.49Å; F909-F1011 HydrophobicContact CE2-CZ 4.23Å; F909-F1011 AromaticContact CG-CE1 3.97Å; F909-F1011 HydrophobicContact CG-CE1 3.97Å; F909-F1011 AromaticContact CG-CE2 3.82Å; F909-F1011 HydrophobicContact CG-CE2 3.82Å; F909-F1011 AromaticContact CG-CZ 3.34Å; F909-F1011 HydrophobicContact CG-CZ 3.34Å
910D74.1Confident76.3Confident69 Ų6933.4 Ų33.437%0.36919%0.193SC..Hα-helixtrans-67.2-24.6179.6-152.173.5000111.6F906 K1015F906-D910 HydrophobicContact CE1-CB 4.25Å; F906-D910 HydrophobicContact CZ-CB 4.28Å; F906-D910 PolarHBondContact O-N 3.28Å; D910-K1015 VanDerWaalsContact CG-NZ 3.26Å; D910-K1015 IonicContact OD1-NZ 2.61Å; D910-K1015 PolarHBondContact OD1-NZ 2.92Å; D910-K1015 IonicContact OD2-NZ 3.99Å; D910-K1015 PolarHBondContact OD2-NZ 3.46Å; D910-K1015 VanDerWaalsContact OD2-NZ 3.07Å
911H73.3Confident76.8Confident30 Ų3033.9 Ų33.914%0.13919%0.194CC..THydrogen-bonded Turntrans-89.4-8.5175-73.2-43.9000115.4E907 F909 T914 F915 I920 F950E907-H911 PolarHBondContact O-CD2 3.48Å; E907-H911 PolarHBondContact O-N 3.06Å; E907-H911 IonicContact OE2-NE2 3.99Å; F909-H911 PolarHBondContact O-N 3.5Å; H911-T914 PolarHBondContact O-N 2.87Å; H911-T914 PolarHBondContact O-OG1 3.35Å; H911-F915 HydrophobicContact CB-CD2 4.21Å; H911-F915 PolarHBondContact O-N 3.06Å; H911-F915 VanDerWaalsContact O-N 3.13Å; H911-I920 HydrophobicContact CB-CD1 4.35Å; H911-I920 HydrophobicContact CB-CG1 4.4Å; H911-I920 WeakPolarHBondContact O-CD1 3.48Å; H911-F950 HydrophobicContact CB-CE1 4.18Å; H911-F950 HydrophobicContact CB-CZ 4.24Å; H911-F950 AromaticContact CD2-CD2 3.41Å; H911-F950 VanDerWaalsContact CD2-CD2 3.41Å; H911-F950 WeakPolarHBondContact CD2-CD2 3.47Å; H911-F950 AromaticContact CD2-CE2 3.37Å; H911-F950 WeakPolarHBondContact CD2-CE2 3.27Å; H911-F950 AromaticContact CD2-CG 3.81Å; H911-F950 AromaticContact CD2-CZ 3.73Å; H911-F950 AromaticContact NE2-CD2 3.41Å; H911-F950 WeakPolarHBondContact NE2-CD2 3.31Å; H911-F950 AromaticContact NE2-CE2 3.88Å; H911-F950 AromaticContact NE2-CG 3.71Å
912L69.2Low76.9Confident9 Ų937.1 Ų37.15%0.04721%0.209CC..BIsolated β-bridgetrans-60.4145.6172.6-73.7171.8000111.1L878 F909 T914 W917 I920 I1007L878-L912 HydrophobicContact CD1-CD1 4.24Å; L878-L912 HydrophobicContact CD1-CD2 4.29Å; L878-L912 HydrophobicContact CD2-CD1 4.19Å; L878-L912 HydrophobicContact CD2-CD2 4.06Å; F909-L912 HydrophobicContact CD1-CD1 3.54Å; F909-L912 HydrophobicContact CE1-CD1 4.12Å; F909-L912 HydrophobicContact CG-CD1 4.47Å; F909-L912 PolarHBondContact O-N 2.92Å; L912-T914 PolarHBondContact O-N 2.74Å; L912-W917 HydrophobicContact CD2-CE3 3.94Å; L912-W917 HydrophobicContact CD2-CZ3 4.44Å; L912-I920 HydrophobicContact CD2-CD1 3.78Å; L912-I920 HydrophobicContact CG-CD1 4.28Å; L912-I1007 HydrophobicContact CD1-CD1 3.61Å; L912-I1007 HydrophobicContact CD1-CG2 4.41Å
913G63.9Low77.6Confident66 Ų6636 Ų3668%0.6821%0.205SC*.THydrogen-bonded Turntrans74.2-16.7-178.500000115.1
914T73.8Confident78.2Confident97 Ų9733.7 Ų33.760%0.59519%0.192SC*.THydrogen-bonded Turntrans-96.4-33.1168.258.80000112.5H911 L912H911-T914 PolarHBondContact O-N 2.87Å; H911-T914 PolarHBondContact O-OG1 3.35Å; L912-T914 PolarHBondContact O-N 2.74Å
915F77.9Confident78.5Confident59 Ų5935.1 Ų35.126%0.25920%0.198SC..BIsolated β-bridgetrans-121.8155.1173.7-64.9-87000111.3H911 I920 F950H911-F915 HydrophobicContact CB-CD2 4.21Å; H911-F915 PolarHBondContact O-N 3.06Å; H911-F915 VanDerWaalsContact O-N 3.13Å; F915-I920 HydrophobicContact CB-CD1 4.1Å; F915-I920 HydrophobicContact CB-CG1 4.06Å; F915-I920 WeakPolarHBondContact O-CD1 3.38Å; F915-F950 HydrophobicContact CB-CE1 4.24Å; F915-F950 HydrophobicContact CD1-CD1 4.02Å; F915-F950 HydrophobicContact CD1-CE1 4.45Å; F915-F950 AromaticContact CD2-CD1 3.51Å; F915-F950 HydrophobicContact CD2-CD1 3.51Å; F915-F950 AromaticContact CD2-CE1 3.9Å; F915-F950 HydrophobicContact CD2-CE1 3.9Å; F915-F950 HydrophobicContact CE1-CD1 4.04Å; F915-F950 HydrophobicContact CE2-CB 4.11Å; F915-F950 AromaticContact CE2-CD1 3.54Å; F915-F950 HydrophobicContact CE2-CD1 3.54Å; F915-F950 HydrophobicContact CE2-CE1 4.38Å; F915-F950 HydrophobicContact CE2-CG 4.19Å; F915-F950 AromaticContact CG-CD1 3.76Å; F915-F950 HydrophobicContact CG-CD1 3.76Å; F915-F950 AromaticContact CG-CE1 3.94Å; F915-F950 HydrophobicContact CG-CE1 3.94Å; F915-F950 HydrophobicContact CZ-CB 4.06Å; F915-F950 AromaticContact CZ-CD1 3.81Å; F915-F950 HydrophobicContact CZ-CD1 3.81Å; F915-F950 HydrophobicContact CZ-CG 4.42Å
916P80Confident78.8Confident72 Ų7236 Ų3647%0.46821%0.207SC..  trans-69.5152.3175.730.6-35.2000111.2E918 T919 I920P916-E918 PolarHBondContact O-N 2.84Å; P916-T919 PolarHBondContact O-N 3.15Å; P916-I920 PolarHBondContact O-N 2.86Å
917W82Confident79.3Confident12 Ų1235.6 Ų35.65%0.04521%0.205CC..Hα-helixtrans-56.8-38.5-174171.2-121.7000112.5L876 L878 F881 V908 L912 T919 I920 R921L876-W917 PolarHBondContact O-NE1 3.29Å; L878-W917 HydrophobicContact CB-CD2 4.07Å; L878-W917 HydrophobicContact CB-CE3 4.47Å; L878-W917 HydrophobicContact CB-CG 4.39Å; L878-W917 HydrophobicContact CD1-CD2 4.21Å; L878-W917 HydrophobicContact CD1-CE3 3.76Å; L878-W917 HydrophobicContact CD1-CH2 3.93Å; L878-W917 HydrophobicContact CD1-CZ2 4.34Å; L878-W917 HydrophobicContact CD1-CZ3 3.61Å; F881-W917 HydrophobicContact CB-CH2 3.85Å; F881-W917 HydrophobicContact CB-CZ2 3.54Å; F881-W917 AromaticContact CD1-CH2 3.58Å; F881-W917 HydrophobicContact CD1-CH2 3.58Å; F881-W917 HydrophobicContact CD1-CZ2 4.2Å; F881-W917 AromaticContact CD2-CH2 3.9Å; F881-W917 HydrophobicContact CD2-CH2 3.9Å; F881-W917 HydrophobicContact CD2-CZ2 4.01Å; F881-W917 HydrophobicContact CE1-CH2 4.09Å; F881-W917 HydrophobicContact CE2-CH2 4.35Å; F881-W917 AromaticContact CG-CH2 3.49Å; F881-W917 HydrophobicContact CG-CH2 3.49Å; F881-W917 VanDerWaalsContact CG-CH2 3.49Å; F881-W917 AromaticContact CG-CZ2 3.66Å; F881-W917 HydrophobicContact CG-CZ2 3.66Å; F881-W917 HydrophobicContact CZ-CH2 4.45Å; V908-W917 HydrophobicContact CG1-CZ3 4.24Å; L912-W917 HydrophobicContact CD2-CE3 3.94Å; L912-W917 HydrophobicContact CD2-CZ3 4.44Å; W917-T919 VanDerWaalsContact C-N 3.34Å; W917-T919 PolarHBondContact O-N 2.93Å; W917-I920 HydrophobicContact CE3-CB 4.24Å; W917-I920 HydrophobicContact CE3-CG2 4.27Å; W917-I920 HydrophobicContact CZ3-CB 4.39Å; W917-I920 HydrophobicContact CZ3-CG2 3.97Å; W917-I920 PolarHBondContact O-N 3.19Å; W917-I920 VanDerWaalsContact O-N 3.16Å; W917-R921 HydrophobicContact CD2-CB 4.39Å; W917-R921 HydrophobicContact CH2-CB 4.16Å; W917-R921 HydrophobicContact CH2-CG 4.4Å; W917-R921 HydrophobicContact CZ2-CB 3.87Å; W917-R921 HydrophobicContact CZ2-CG 3.88Å; W917-R921 WeakPolarHBondContact O-CB 3.27Å; W917-R921 PolarHBondContact O-N 3.14Å
918E82.9Confident79.6Confident97 Ų9735 Ų3545%0.45320%0.203SC..Hα-helixtrans-62.2-41.1-177-61.766.3-143.400111.2P916 E922P916-E918 PolarHBondContact O-N 2.84Å; E918-E922 WeakPolarHBondContact O-CB 3.39Å; E918-E922 WeakPolarHBondContact O-CG 3.5Å; E918-E922 PolarHBondContact O-N 3.38Å
919T81Confident79.8Confident50 Ų5039.9 Ų39.931%0.30723%0.226SC..Hα-helixtrans-68-37176.4-58.10000112.2P916 W917 F923 F949 F950P916-T919 PolarHBondContact O-N 3.15Å; W917-T919 VanDerWaalsContact C-N 3.34Å; W917-T919 PolarHBondContact O-N 2.93Å; T919-F923 WeakPolarHBondContact O-CB 3.34Å; T919-F923 PolarHBondContact O-N 3.35Å; T919-F949 HydrophobicContact CG2-CD1 4.21Å; T919-F950 HydrophobicContact CG2-CE1 4.49Å
920I82.8Confident80.3Confident0 Ų041.3 Ų41.30%023%0.233CC..Hα-helixtrans-72-38.8179.1-63.4165.1000110.7V908 H911 L912 F915 P916 W917 F923 H924 F950V908-I920 HydrophobicContact CB-CG2 4.15Å; V908-I920 HydrophobicContact CG1-CG2 3.85Å; V908-I920 HydrophobicContact CG2-CG2 4.17Å; V908-I920 WeakPolarHBondContact O-CG2 3.31Å; H911-I920 HydrophobicContact CB-CD1 4.35Å; H911-I920 HydrophobicContact CB-CG1 4.4Å; H911-I920 WeakPolarHBondContact O-CD1 3.48Å; L912-I920 HydrophobicContact CD2-CD1 3.78Å; L912-I920 HydrophobicContact CG-CD1 4.28Å; F915-I920 HydrophobicContact CB-CD1 4.1Å; F915-I920 HydrophobicContact CB-CG1 4.06Å; F915-I920 WeakPolarHBondContact O-CD1 3.38Å; P916-I920 PolarHBondContact O-N 2.86Å; W917-I920 HydrophobicContact CE3-CB 4.24Å; W917-I920 HydrophobicContact CE3-CG2 4.27Å; W917-I920 HydrophobicContact CZ3-CB 4.39Å; W917-I920 HydrophobicContact CZ3-CG2 3.97Å; W917-I920 PolarHBondContact O-N 3.19Å; W917-I920 VanDerWaalsContact O-N 3.16Å; I920-F923 WeakPolarHBondContact O-CB 3.32Å; I920-F923 PolarHBondContact O-N 3.08Å; I920-H924 PolarHBondContact O-N 3.13Å; I920-F950 HydrophobicContact CG1-CE1 4.25Å; I920-F950 HydrophobicContact CG1-CZ 4.38Å
921R85.5Confident80.7Confident24 Ų2438.8 Ų38.89%0.09122%0.22CC..Hα-helixtrans-67.2-38175.7-169.3-172.965.7-177.57.9112.2Y873 D874 L876 W917 K925Y873-R921 HydrophobicContact CE1-CG 3.76Å; Y873-R921 PolarHBondContact OH-O 2.9Å; Y873-R921 VanDerWaalsContact OH-O 3.04Å; D874-R921 PolarHBondContact O-NH1 3.38Å; D874-R921 PolarHBondContact O-NH2 2.96Å; D874-R921 IonicContact OD1-NH2 3.83Å; L876-R921 PolarHBondContact O-NH1 3.4Å; W917-R921 HydrophobicContact CD2-CB 4.39Å; W917-R921 HydrophobicContact CH2-CB 4.16Å; W917-R921 HydrophobicContact CH2-CG 4.4Å; W917-R921 HydrophobicContact CZ2-CB 3.87Å; W917-R921 HydrophobicContact CZ2-CG 3.88Å; W917-R921 WeakPolarHBondContact O-CB 3.27Å; W917-R921 PolarHBondContact O-N 3.14Å; R921-K925 WeakPolarHBondContact O-CB 3.3Å; R921-K925 PolarHBondContact O-N 3.03Å
922E83.8Confident81.1Confident68 Ų6843.8 Ų43.832%0.31824%0.243SC..Hα-helixtrans-68.7-37.7171.2-75.4-65.5151.800112.4E918 K925 A926 F949E918-E922 WeakPolarHBondContact O-CB 3.39Å; E918-E922 WeakPolarHBondContact O-CG 3.5Å; E918-E922 PolarHBondContact O-N 3.38Å; E922-K925 WeakPolarHBondContact O-CB 3.47Å; E922-K925 PolarHBondContact O-N 2.87Å; E922-K925 IonicContact OE1-NZ 3.42Å; E922-K925 PolarHBondContact OE1-NZ 3.4Å; E922-K925 WeakPolarHBondContact OE2-CD 3.4Å; E922-K925 IonicContact OE2-NZ 3.74Å; E922-A926 WeakPolarHBondContact O-CB 3.2Å; E922-A926 PolarHBondContact O-N 3.32Å; E922-F949 HydrophobicContact CB-CE1 3.98Å
923F86.4Confident81.7Confident0 Ų046.5 Ų46.50%027%0.267CS..Hα-helixtrans-57.8-49.7170.5161-105.8000111.2L904 E907 V908 T919 I920 K925 A926 V927 F942 I945 K946 F949 F950L904-F923 HydrophobicContact CD1-CE1 3.78Å; L904-F923 HydrophobicContact CD1-CZ 3.97Å; E907-F923 HydrophobicContact CB-CE1 4.27Å; E907-F923 HydrophobicContact CB-CZ 4.48Å; V908-F923 HydrophobicContact CG2-CD1 4.2Å; V908-F923 HydrophobicContact CG2-CE1 4.28Å; T919-F923 WeakPolarHBondContact O-CB 3.34Å; T919-F923 PolarHBondContact O-N 3.35Å; I920-F923 WeakPolarHBondContact O-CB 3.32Å; I920-F923 PolarHBondContact O-N 3.08Å; F923-K925 VanDerWaalsContact C-N 3.34Å; F923-K925 PolarHBondContact O-N 2.73Å; F923-A926 PolarHBondContact O-N 3.1Å; F923-V927 HydrophobicContact CD2-CG2 4.4Å; F923-V927 HydrophobicContact CE2-CG2 3.96Å; F923-V927 HydrophobicContact CZ-CG2 4.22Å; F923-V927 WeakPolarHBondContact O-CG2 3.47Å; F923-V927 PolarHBondContact O-N 3.42Å; F923-V927 VanDerWaalsContact O-N 3.13Å; F923-F942 HydrophobicContact CE2-CD2 4.19Å; F923-F942 AromaticContact CZ-CD2 3.72Å; F923-F942 HydrophobicContact CZ-CD2 3.72Å; F923-F942 AromaticContact CZ-CE2 3.81Å; F923-F942 HydrophobicContact CZ-CE2 3.81Å; F923-I945 HydrophobicContact CD2-CG2 3.88Å; F923-I945 HydrophobicContact CE2-CB 4.43Å; F923-I945 HydrophobicContact CE2-CG2 4.02Å; F923-K946 HydrophobicContact CE2-CB 4.01Å; F923-K946 HydrophobicContact CZ-CB 4.39Å; F923-F949 HydrophobicContact CB-CB 4.28Å; F923-F949 HydrophobicContact CB-CD1 3.84Å; F923-F949 HydrophobicContact CB-CD2 4.37Å; F923-F949 HydrophobicContact CB-CE1 4.24Å; F923-F949 HydrophobicContact CB-CG 3.91Å; F923-F949 HydrophobicContact CD2-CB 4.22Å; F923-F949 HydrophobicContact CD2-CD2 4.14Å; F923-F949 HydrophobicContact CD2-CG 4.21Å; F923-F950 HydrophobicContact CB-CE2 4.07Å; F923-F950 HydrophobicContact CB-CZ 3.83Å; F923-F950 AromaticContact CD1-CE2 3.73Å; F923-F950 HydrophobicContact CD1-CE2 3.73Å; F923-F950 AromaticContact CD1-CZ 3.91Å; F923-F950 HydrophobicContact CD1-CZ 3.91Å; F923-F950 AromaticContact CD2-CE2 3.69Å; F923-F950 HydrophobicContact CD2-CE2 3.69Å; F923-F950 HydrophobicContact CD2-CZ 4.33Å; F923-F950 HydrophobicContact CE1-CE2 4.05Å; F923-F950 HydrophobicContact CE2-CE2 4.05Å; F923-F950 AromaticContact CG-CE2 3.53Å; F923-F950 HydrophobicContact CG-CE2 3.53Å; F923-F950 AromaticContact CG-CZ 3.75Å; F923-F950 HydrophobicContact CG-CZ 3.75Å; F923-F950 HydrophobicContact CZ-CE2 4.21Å
924H87.9Confident82.3Confident1 Ų146.3 Ų46.31%0.00527%0.266CS..Hα-helixtrans-58.4-45.2175.3177.3-85.7000112.3Y873 F881 Y885 V908 I920 A926 V927 V928Y873-H924 AromaticContact CZ-ND1 3.97Å; Y873-H924 PolarHBondContact OH-ND1 3.08Å; F881-H924 AromaticContact CE2-CE1 3.97Å; F881-H924 AromaticContact CE2-CG 3.88Å; F881-H924 AromaticContact CE2-ND1 3.69Å; F881-H924 HydrophobicContact CZ-CB 4.45Å; F881-H924 AromaticContact CZ-CD2 3.77Å; F881-H924 AromaticContact CZ-CG 3.79Å; F881-H924 AromaticContact CZ-ND1 3.99Å; F881-H924 AromaticContact CZ-NE2 3.98Å; Y885-H924 AromaticContact CD2-NE2 3.78Å; Y885-H924 AromaticContact CE2-NE2 3.18Å; Y885-H924 WeakPolarHBondContact CE2-NE2 3.2Å; V908-H924 HydrophobicContact CG2-CB 3.96Å; I920-H924 PolarHBondContact O-N 3.13Å; H924-A926 PolarHBondContact O-N 2.78Å; H924-V927 PolarHBondContact O-N 3.41Å; H924-V928 PolarHBondContact O-N 2.71Å; H924-V928 VanDerWaalsContact O-N 3.08Å
925K85.3Confident82.5Confident30 Ų3047.2 Ų47.213%0.1327%0.267CS..Hα-helixtrans-58-46.3177.9-165.3-172.4-172.8175.80111.4Y873 D874 R921 E922 F923 V927 V928 Q929Y873-K925 HydrophobicContact CD1-CD 3.94Å; Y873-K925 HydrophobicContact CD1-CG 4.05Å; Y873-K925 HydrophobicContact CE1-CB 3.62Å; Y873-K925 HydrophobicContact CE1-CD 3.78Å; Y873-K925 HydrophobicContact CE1-CG 3.64Å; Y873-K925 PolarHBondContact OH-N 2.72Å; D874-K925 WeakPolarHBondContact OD1-CE 3.46Å; D874-K925 IonicContact OD1-NZ 2.65Å; D874-K925 PolarHBondContact OD1-NZ 3.23Å; D874-K925 IonicContact OD2-NZ 3.55Å; D874-K925 PolarHBondContact OD2-NZ 3.22Å; R921-K925 WeakPolarHBondContact O-CB 3.3Å; R921-K925 PolarHBondContact O-N 3.03Å; E922-K925 WeakPolarHBondContact O-CB 3.47Å; E922-K925 PolarHBondContact O-N 2.87Å; E922-K925 IonicContact OE1-NZ 3.42Å; E922-K925 PolarHBondContact OE1-NZ 3.4Å; E922-K925 WeakPolarHBondContact OE2-CD 3.4Å; E922-K925 IonicContact OE2-NZ 3.74Å; F923-K925 VanDerWaalsContact C-N 3.34Å; F923-K925 PolarHBondContact O-N 2.73Å; K925-V927 PolarHBondContact O-N 3.15Å; K925-V928 PolarHBondContact O-N 3.4Å; K925-Q929 WeakPolarHBondContact O-CB 3.28Å; K925-Q929 VanDerWaalsContact O-CG 3.31Å; K925-Q929 WeakPolarHBondContact O-CG 3.39Å; K925-Q929 PolarHBondContact O-N 2.97Å
926A84.6Confident82.5Confident27 Ų2745.9 Ų45.922%0.22326%0.26CS..Hα-helixtrans-62.3-40.7178.700000112.3E922 F923 H924 D930 I945 F949E922-A926 WeakPolarHBondContact O-CB 3.2Å; E922-A926 PolarHBondContact O-N 3.32Å; F923-A926 PolarHBondContact O-N 3.1Å; H924-A926 PolarHBondContact O-N 2.78Å; A926-D930 WeakPolarHBondContact O-CB 3.12Å; A926-D930 PolarHBondContact O-N 3.24Å; A926-I945 HydrophobicContact CB-CG2 4.18Å; A926-F949 HydrophobicContact CB-CE2 3.85Å; A926-F949 HydrophobicContact CB-CZ 3.93Å
927V83.1Confident82.5Confident1 Ų148.1 Ų48.11%0.00626%0.264CS..Hα-helixtrans-64.7-44.5175.9179.30000111.3L904 F923 H924 K925 I931 F942 I945L904-V927 HydrophobicContact CD1-CB 3.99Å; L904-V927 HydrophobicContact CD1-CG1 4.03Å; L904-V927 HydrophobicContact CD1-CG2 3.85Å; L904-V927 HydrophobicContact CD2-CB 4.09Å; L904-V927 HydrophobicContact CD2-CG1 3.81Å; F923-V927 HydrophobicContact CD2-CG2 4.4Å; F923-V927 HydrophobicContact CE2-CG2 3.96Å; F923-V927 HydrophobicContact CZ-CG2 4.22Å; F923-V927 WeakPolarHBondContact O-CG2 3.47Å; F923-V927 PolarHBondContact O-N 3.42Å; F923-V927 VanDerWaalsContact O-N 3.13Å; H924-V927 PolarHBondContact O-N 3.41Å; K925-V927 PolarHBondContact O-N 3.15Å; V927-I931 HydrophobicContact CG1-CD1 4.23Å; V927-I931 WeakPolarHBondContact O-CG1 3.28Å; V927-I931 PolarHBondContact O-N 3.3Å; V927-F942 HydrophobicContact CG1-CB 4.04Å; V927-F942 HydrophobicContact CG1-CD1 4.28Å; V927-F942 HydrophobicContact CG1-CG 4.31Å; V927-F942 HydrophobicContact CG2-CB 3.9Å; V927-F942 HydrophobicContact CG2-CG 4.21Å; V927-I945 HydrophobicContact CB-CD1 4.43Å; V927-I945 HydrophobicContact CG2-CB 4.22Å; V927-I945 HydrophobicContact CG2-CD1 3.91Å; V927-I945 HydrophobicContact CG2-CG2 3.93Å
928V83.9Confident82.3Confident13 Ų1349.1 Ų49.18%0.07927%0.268CS..Hα-helixtrans-66.9-41.9178.5176.20000111.7L904 H924 K925 I931 E932L904-V928 HydrophobicContact CD2-CG2 4.49Å; H924-V928 PolarHBondContact O-N 2.71Å; H924-V928 VanDerWaalsContact O-N 3.08Å; K925-V928 PolarHBondContact O-N 3.4Å; V928-I931 PolarHBondContact O-N 2.78Å; V928-E932 WeakPolarHBondContact O-CB 3.4Å; V928-E932 PolarHBondContact O-N 2.97Å
929Q83.3Confident81.9Confident104 Ų10450.5 Ų50.549%0.48627%0.273SS..Hα-helixtrans-67.9-33.1179.4-74.9-179.1-16.100113.4K925 I931 E932 A933K925-Q929 WeakPolarHBondContact O-CB 3.28Å; K925-Q929 VanDerWaalsContact O-CG 3.31Å; K925-Q929 WeakPolarHBondContact O-CG 3.39Å; K925-Q929 PolarHBondContact O-N 2.97Å; Q929-I931 VanDerWaalsContact C-N 3.31Å; Q929-E932 PolarHBondContact O-N 3.43Å; Q929-A933 WeakPolarHBondContact O-CB 3.44Å; Q929-A933 PolarHBondContact O-N 2.82Å
930D82.1Confident81.7Confident38 Ų3852 Ų5220%0.20328%0.278CS..Hα-helixtrans-69.9-31.6177-159.144.9000111.8A926 N935 R936 I945A926-D930 WeakPolarHBondContact O-CB 3.12Å; A926-D930 PolarHBondContact O-N 3.24Å; D930-N935 WeakPolarHBondContact O-CB 3.5Å; D930-N935 PolarHBondContact O-N 3.38Å; D930-N935 VanDerWaalsContact O-N 3.08Å; D930-N935 WeakPolarHBondContact OD1-CB 3.48Å; D930-N935 PolarHBondContact OD1-ND2 3.4Å; D930-R936 IonicContact OD2-CZ 2.72Å; D930-R936 IonicContact OD2-NE 2.73Å; D930-R936 PolarHBondContact OD2-NE 2.97Å; D930-R936 IonicContact OD2-NH2 2.82Å; D930-R936 PolarHBondContact OD2-NH2 3.21Å; D930-I945 HydrophobicContact CB-CD1 4.19Å
931I83.1Confident81.3Confident17 Ų1754.2 Ų54.29%0.08730%0.302CS..Hα-helixtrans-75.3-39.3171.2-60.8168.9000110.6L856 V927 V928 Q929 A933 G934 R936 W938L856-I931 HydrophobicContact CD1-CB 4.26Å; L856-I931 HydrophobicContact CD1-CG2 3.83Å; L856-I931 HydrophobicContact CD2-CG2 4.3Å; V927-I931 HydrophobicContact CG1-CD1 4.23Å; V927-I931 WeakPolarHBondContact O-CG1 3.28Å; V927-I931 PolarHBondContact O-N 3.3Å; V928-I931 PolarHBondContact O-N 2.78Å; Q929-I931 VanDerWaalsContact C-N 3.31Å; I931-A933 VanDerWaalsContact C-N 3.34Å; I931-A933 PolarHBondContact O-N 2.87Å; I931-G934 PolarHBondContact O-N 3.28Å; I931-R936 HydrophobicContact CG1-CB 4.06Å; I931-R936 HydrophobicContact CG1-CG 4.18Å; I931-W938 HydrophobicContact CD1-CD2 4.02Å; I931-W938 HydrophobicContact CD1-CE3 3.6Å; I931-W938 HydrophobicContact CD1-CH2 4.05Å; I931-W938 HydrophobicContact CD1-CZ2 4.41Å; I931-W938 HydrophobicContact CD1-CZ3 3.62Å; I931-W938 HydrophobicContact CG2-CD2 4.37Å; I931-W938 HydrophobicContact CG2-CZ2 4.45Å
932E80.9Confident81.2Confident134 Ų13453.5 Ų53.563%0.62630%0.299SS*.Hα-helixtrans-64.1-37.3175.9-165.6173.5-157.100112.8L856 V928 Q929 G934L856-E932 VanDerWaalsContact CD1-CA 3.44Å; L856-E932 HydrophobicContact CD1-CB 3.72Å; L856-E932 HydrophobicContact CD1-CG 4.23Å; V928-E932 WeakPolarHBondContact O-CB 3.4Å; V928-E932 PolarHBondContact O-N 2.97Å; Q929-E932 PolarHBondContact O-N 3.43Å; E932-G934 PolarHBondContact O-N 3.24Å
933A81.1Confident81Confident66 Ų6655.1 Ų55.155%0.54531%0.307SS..THydrogen-bonded Turntrans-68.3-11.1173.200000113.6Q929 I931 N935Q929-A933 WeakPolarHBondContact O-CB 3.44Å; Q929-A933 PolarHBondContact O-N 2.82Å; I931-A933 VanDerWaalsContact C-N 3.34Å; I931-A933 PolarHBondContact O-N 2.87Å; A933-N935 VanDerWaalsContact C-N 3.29Å
934G77.8Confident80.7Confident63 Ų6358.2 Ų58.265%0.64932%0.323SS*.THydrogen-bonded Turntrans72.618.6-175.400000114I931 E932 R936I931-G934 PolarHBondContact O-N 3.28Å; E932-G934 PolarHBondContact O-N 3.24Å; G934-R936 VanDerWaalsContact C-N 3.27Å
935N77.7Confident80.5Confident116 Ų11658.5 Ų58.562%0.6233%0.325SS*.SBendtrans-77.1-17175.5-59.1-31.5000112.3D930 A933D930-N935 WeakPolarHBondContact O-CB 3.5Å; D930-N935 PolarHBondContact O-N 3.38Å; D930-N935 VanDerWaalsContact O-N 3.08Å; D930-N935 WeakPolarHBondContact OD1-CB 3.48Å; D930-N935 PolarHBondContact OD1-ND2 3.4Å; A933-N935 VanDerWaalsContact C-N 3.29Å
936R77.3Confident80.3Confident30 Ų3058.9 Ų58.911%0.11333%0.326CS..SBendtrans-149.9135.6-166.4-170.1-177.1-57.2-103-3.3110.6D930 I931 G934 D940 G941 D944D930-R936 IonicContact OD2-CZ 2.72Å; D930-R936 IonicContact OD2-NE 2.73Å; D930-R936 PolarHBondContact OD2-NE 2.97Å; D930-R936 IonicContact OD2-NH2 2.82Å; D930-R936 PolarHBondContact OD2-NH2 3.21Å; I931-R936 HydrophobicContact CG1-CB 4.06Å; I931-R936 HydrophobicContact CG1-CG 4.18Å; G934-R936 VanDerWaalsContact C-N 3.27Å; R936-D940 HydrophobicContact CG-CB 3.62Å; R936-G941 PolarHBondContact NH1-O 2.92Å; R936-D944 IonicContact CZ-OD1 3.62Å; R936-D944 VanDerWaalsContact CZ-OD1 3.27Å; R936-D944 IonicContact NH1-OD1 3.82Å; R936-D944 PolarHBondContact NH1-OD1 3.07Å; R936-D944 IonicContact NH2-OD1 3.39Å; R936-D944 PolarHBondContact NH2-OD1 3.31Å; R936-D944 IonicContact NH2-OD2 3.7Å; R936-D944 PolarHBondContact NH2-OD2 3.14Å
937E79.5Confident80Confident120 Ų12062 Ų6256%0.56134%0.343SS*.  trans-90.5161.2168.9-73.2-166.7-168.600111.4K939 D940E937-K939 PolarHBondContact O-N 3.26Å; E937-K939 IonicContact OE2-NZ 3.51Å; E937-D940 PolarHBondContact N-OD2 3.07Å; E937-D940 PolarHBondContact O-N 3.16Å
938W78.4Confident80Confident33 Ų3369 Ų6913%0.12537%0.373CS..THydrogen-bonded Turntrans-60.1-2.9171.8-73.7118.7000115.1L856 D896 E897 M900 R901 I931L856-W938 HydrophobicContact CD2-CZ2 3.91Å; D896-W938 HydrophobicContact CB-CB 4.48Å; E897-W938 HydrophobicContact CB-CB 4.21Å; E897-W938 HydrophobicContact CB-CD2 3.98Å; E897-W938 HydrophobicContact CB-CG 3.77Å; E897-W938 HydrophobicContact CG-CD2 3.73Å; E897-W938 HydrophobicContact CG-CE3 4.27Å; E897-W938 HydrophobicContact CG-CG 4.04Å; E897-W938 HydrophobicContact CG-CH2 4.41Å; E897-W938 HydrophobicContact CG-CZ2 3.88Å; E897-W938 WeakPolarHBondContact OE1-CZ2 3.47Å; M900-W938 HydrophobicContact CB-CE3 3.79Å; M900-W938 HydrophobicContact CB-CZ3 4.41Å; M900-W938 VanDerWaalsContact CB-O 3.3Å; M900-W938 WeakPolarHBondContact CB-O 3.37Å; M900-W938 VanDerWaalsContact CE-O 3.26Å; M900-W938 WeakPolarHBondContact CE-O 3.43Å; M900-W938 HydrophobicContact CG-CE3 3.76Å; M900-W938 HydrophobicContact CG-CZ3 4.23Å; R901-W938 HydrophobicContact CG-CH2 3.73Å; R901-W938 HydrophobicContact CG-CZ3 3.73Å; I931-W938 HydrophobicContact CD1-CD2 4.02Å; I931-W938 HydrophobicContact CD1-CE3 3.6Å; I931-W938 HydrophobicContact CD1-CH2 4.05Å; I931-W938 HydrophobicContact CD1-CZ2 4.41Å; I931-W938 HydrophobicContact CD1-CZ3 3.62Å; I931-W938 HydrophobicContact CG2-CD2 4.37Å; I931-W938 HydrophobicContact CG2-CZ2 4.45Å
939K74.1Confident79.8Confident126 Ų12671.8 Ų71.855%0.54838%0.384SS..THydrogen-bonded Turntrans-92.2-19.3174-67.3166.4-173.91560112.8D896 E937D896-K939 HydrophobicContact CB-CG 3.94Å; D896-K939 WeakPolarHBondContact OD2-CE 3.43Å; D896-K939 IonicContact OD2-NZ 2.73Å; E937-K939 PolarHBondContact O-N 3.26Å; E937-K939 IonicContact OE2-NZ 3.51Å
940D76.9Confident79.7Confident80 Ų8067.6 Ų67.643%0.42836%0.364SS..SBendtrans-88.5119.8-174.5-59.1-46.3000110.8M900 R936 E937M900-D940 VanDerWaalsContact CE-O 3.27Å; M900-D940 WeakPolarHBondContact CE-O 3.45Å; R936-D940 HydrophobicContact CG-CB 3.62Å; E937-D940 PolarHBondContact N-OD2 3.07Å; E937-D940 PolarHBondContact O-N 3.16Å
941G75.5Confident78.8Confident48 Ų4867.7 Ų67.750%0.49537%0.374SS..  trans-60.8147.5177.700000112.9R936R936-G941 PolarHBondContact NH1-O 2.92Å
942F82.8Confident77.4Confident9 Ų974.9 Ų74.94%0.03941%0.413CS..  trans-9618.6-175.754-101.4000114.3M900 L903 L904 E907 F923 V927 D944 I945 K946M900-F942 HydrophobicContact CG-CD1 4.49Å; M900-F942 HydrophobicContact SD-CD1 3.63Å; M900-F942 HydrophobicContact SD-CE1 3.71Å; L903-F942 HydrophobicContact CB-CE1 4.06Å; L903-F942 HydrophobicContact CB-CZ 4.16Å; L904-F942 HydrophobicContact CB-CE1 3.89Å; L904-F942 HydrophobicContact CB-CZ 4.24Å; L904-F942 HydrophobicContact CD1-CD1 4.41Å; L904-F942 HydrophobicContact CD1-CE1 4.24Å; L904-F942 HydrophobicContact CD1-CE2 4.42Å; L904-F942 HydrophobicContact CD1-CZ 4.26Å; E907-F942 HydrophobicContact CB-CE2 3.99Å; E907-F942 HydrophobicContact CB-CZ 4.19Å; E907-F942 HydrophobicContact CG-CE2 3.76Å; E907-F942 HydrophobicContact CG-CZ 3.82Å; F923-F942 HydrophobicContact CE2-CD2 4.19Å; F923-F942 AromaticContact CZ-CD2 3.72Å; F923-F942 HydrophobicContact CZ-CD2 3.72Å; F923-F942 AromaticContact CZ-CE2 3.81Å; F923-F942 HydrophobicContact CZ-CE2 3.81Å; V927-F942 HydrophobicContact CG1-CB 4.04Å; V927-F942 HydrophobicContact CG1-CD1 4.28Å; V927-F942 HydrophobicContact CG1-CG 4.31Å; V927-F942 HydrophobicContact CG2-CB 3.9Å; V927-F942 HydrophobicContact CG2-CG 4.21Å; F942-D944 PolarHBondContact O-N 3.37Å; F942-I945 WeakPolarHBondContact O-CA 3.38Å; F942-I945 WeakPolarHBondContact O-CB 3.07Å; F942-I945 PolarHBondContact O-N 3.04Å; F942-K946 HydrophobicContact CD2-CB 4.45Å; F942-K946 PolarHBondContact O-N 3.45Å
943E78.6Confident75.9Confident101 Ų10172.2 Ų72.247%0.47241%0.414SS..Hα-helixtrans-56.8-32.5-178.4-72.7-63.3138.400113.3I945 K946 V947E943-I945 VanDerWaalsContact C-N 3.31Å; E943-I945 PolarHBondContact O-N 3.41Å; E943-K946 PolarHBondContact O-N 3.35Å; E943-K946 WeakPolarHBondContact OE1-CD 3.39Å; E943-K946 IonicContact OE1-NZ 2.94Å; E943-K946 PolarHBondContact OE1-NZ 3.33Å; E943-K946 IonicContact OE2-NZ 3.35Å; E943-V947 WeakPolarHBondContact O-CB 3.5Å; E943-V947 VanDerWaalsContact O-CG2 3.32Å; E943-V947 WeakPolarHBondContact O-CG2 3.4Å; E943-V947 PolarHBondContact O-N 3.1Å
944D80.8Confident74Confident65 Ų6575.3 Ų75.335%0.34843%0.426SS..Hα-helixtrans-68.6-29.5175.276.7-70.6000112.8R936 F942 K948R936-D944 IonicContact CZ-OD1 3.62Å; R936-D944 VanDerWaalsContact CZ-OD1 3.27Å; R936-D944 IonicContact NH1-OD1 3.82Å; R936-D944 PolarHBondContact NH1-OD1 3.07Å; R936-D944 IonicContact NH2-OD1 3.39Å; R936-D944 PolarHBondContact NH2-OD1 3.31Å; R936-D944 IonicContact NH2-OD2 3.7Å; R936-D944 PolarHBondContact NH2-OD2 3.14Å; F942-D944 PolarHBondContact O-N 3.37Å; D944-K948 WeakPolarHBondContact O-CD 3.23Å; D944-K948 WeakPolarHBondContact O-CE 3.33Å; D944-K948 WeakPolarHBondContact O-CG 3.29Å; D944-K948 PolarHBondContact O-N 3.21Å; D944-K948 IonicContact OD2-NZ 3.43Å; D944-K948 PolarHBondContact OD2-NZ 3.27Å
945I83.4Confident71.8Confident7 Ų777.6 Ų77.64%0.03643%0.432CS..Hα-helixtrans-77.4-45.5173.2-57.5179.5000109.1F923 A926 V927 D930 F942 E943 V947 K948 F949F923-I945 HydrophobicContact CD2-CG2 3.88Å; F923-I945 HydrophobicContact CE2-CB 4.43Å; F923-I945 HydrophobicContact CE2-CG2 4.02Å; A926-I945 HydrophobicContact CB-CG2 4.18Å; V927-I945 HydrophobicContact CB-CD1 4.43Å; V927-I945 HydrophobicContact CG2-CB 4.22Å; V927-I945 HydrophobicContact CG2-CD1 3.91Å; V927-I945 HydrophobicContact CG2-CG2 3.93Å; D930-I945 HydrophobicContact CB-CD1 4.19Å; F942-I945 WeakPolarHBondContact O-CA 3.38Å; F942-I945 WeakPolarHBondContact O-CB 3.07Å; F942-I945 PolarHBondContact O-N 3.04Å; E943-I945 VanDerWaalsContact C-N 3.31Å; E943-I945 PolarHBondContact O-N 3.41Å; I945-V947 VanDerWaalsContact C-N 3.33Å; I945-V947 PolarHBondContact O-N 2.96Å; I945-K948 WeakPolarHBondContact O-CB 3.4Å; I945-K948 PolarHBondContact O-N 3.41Å; I945-F949 HydrophobicContact CG2-CD2 3.84Å; I945-F949 HydrophobicContact CG2-CE2 3.88Å; I945-F949 WeakPolarHBondContact O-CD2 3.5Å; I945-F949 PolarHBondContact O-N 3.36Å; I945-F949 VanDerWaalsContact O-N 3.08Å
946K80.5Confident69.6Low38 Ų3881.7 Ų81.717%0.16545%0.447CS..Hα-helixtrans-55.8-44.1176.5-176.6175.8157.8-173.60112.2E907 F923 F942 E943 K948 F949 F950E907-K946 IonicContact OE1-NZ 3.24Å; E907-K946 PolarHBondContact OE1-NZ 2.63Å; E907-K946 WeakPolarHBondContact OE2-CD 3.28Å; E907-K946 WeakPolarHBondContact OE2-CE 3.45Å; E907-K946 IonicContact OE2-NZ 3.02Å; E907-K946 PolarHBondContact OE2-NZ 3.03Å; F923-K946 HydrophobicContact CE2-CB 4.01Å; F923-K946 HydrophobicContact CZ-CB 4.39Å; F942-K946 HydrophobicContact CD2-CB 4.45Å; F942-K946 PolarHBondContact O-N 3.45Å; E943-K946 PolarHBondContact O-N 3.35Å; E943-K946 WeakPolarHBondContact OE1-CD 3.39Å; E943-K946 IonicContact OE1-NZ 2.94Å; E943-K946 PolarHBondContact OE1-NZ 3.33Å; E943-K946 IonicContact OE2-NZ 3.35Å; K946-K948 PolarHBondContact O-N 3.35Å; K946-F949 PolarHBondContact O-N 3.49Å; K946-F950 HydrophobicContact CG-CD2 4Å; K946-F950 WeakPolarHBondContact O-CD2 3.43Å; K946-F950 PolarHBondContact O-N 3.47Å
947V79.4Confident67.2Low93 Ų9385.6 Ų85.656%0.56448%0.479SS*.Hα-helixtrans-65.2-37.2174.8170.30000112.3E943 I945 F949 G951E943-V947 WeakPolarHBondContact O-CB 3.5Å; E943-V947 VanDerWaalsContact O-CG2 3.32Å; E943-V947 WeakPolarHBondContact O-CG2 3.4Å; E943-V947 PolarHBondContact O-N 3.1Å; I945-V947 VanDerWaalsContact C-N 3.33Å; I945-V947 PolarHBondContact O-N 2.96Å; V947-F949 VanDerWaalsContact C-N 3.33Å; V947-F949 PolarHBondContact O-N 3.34Å; V947-G951 WeakPolarHBondContact O-CA 3.48Å; V947-G951 PolarHBondContact O-N 2.78Å
948K81.9Confident64.9Low148 Ų14888.6 Ų88.664%0.64349%0.493SS*.Hα-helixtrans-64.2-34.9175.7-69.8159.2-163159.80112.8D944 I945 K946D944-K948 WeakPolarHBondContact O-CD 3.23Å; D944-K948 WeakPolarHBondContact O-CE 3.33Å; D944-K948 WeakPolarHBondContact O-CG 3.29Å; D944-K948 PolarHBondContact O-N 3.21Å; D944-K948 IonicContact OD2-NZ 3.43Å; D944-K948 PolarHBondContact OD2-NZ 3.27Å; I945-K948 WeakPolarHBondContact O-CB 3.4Å; I945-K948 PolarHBondContact O-N 3.41Å; K946-K948 PolarHBondContact O-N 3.35Å
949F80.5Confident62.4Low71 Ų7194.3 Ų94.331%0.31153%0.526SS..Hα-helixtrans-90.3-36.2-177.7-81.7-97.8000113.9T919 E922 F923 A926 I945 K946 V947T919-F949 HydrophobicContact CG2-CD1 4.21Å; E922-F949 HydrophobicContact CB-CE1 3.98Å; F923-F949 HydrophobicContact CB-CB 4.28Å; F923-F949 HydrophobicContact CB-CD1 3.84Å; F923-F949 HydrophobicContact CB-CD2 4.37Å; F923-F949 HydrophobicContact CB-CE1 4.24Å; F923-F949 HydrophobicContact CB-CG 3.91Å; F923-F949 HydrophobicContact CD2-CB 4.22Å; F923-F949 HydrophobicContact CD2-CD2 4.14Å; F923-F949 HydrophobicContact CD2-CG 4.21Å; A926-F949 HydrophobicContact CB-CE2 3.85Å; A926-F949 HydrophobicContact CB-CZ 3.93Å; I945-F949 HydrophobicContact CG2-CD2 3.84Å; I945-F949 HydrophobicContact CG2-CE2 3.88Å; I945-F949 WeakPolarHBondContact O-CD2 3.5Å; I945-F949 PolarHBondContact O-N 3.36Å; I945-F949 VanDerWaalsContact O-N 3.08Å; K946-F949 PolarHBondContact O-N 3.49Å; V947-F949 VanDerWaalsContact C-N 3.33Å; V947-F949 PolarHBondContact O-N 3.34Å
950F81.6Confident60.2Low16 Ų1692.4 Ų92.47%0.0753%0.534CS..Hα-helixtrans-122.5-8.9-169.6-50.2-64.7000115H911 F915 T919 I920 F923 K946 N952H911-F950 HydrophobicContact CB-CE1 4.18Å; H911-F950 HydrophobicContact CB-CZ 4.24Å; H911-F950 AromaticContact CD2-CD2 3.41Å; H911-F950 VanDerWaalsContact CD2-CD2 3.41Å; H911-F950 WeakPolarHBondContact CD2-CD2 3.47Å; H911-F950 AromaticContact CD2-CE2 3.37Å; H911-F950 WeakPolarHBondContact CD2-CE2 3.27Å; H911-F950 AromaticContact CD2-CG 3.81Å; H911-F950 AromaticContact CD2-CZ 3.73Å; H911-F950 AromaticContact NE2-CD2 3.41Å; H911-F950 WeakPolarHBondContact NE2-CD2 3.31Å; H911-F950 AromaticContact NE2-CE2 3.88Å; H911-F950 AromaticContact NE2-CG 3.71Å; F915-F950 HydrophobicContact CB-CE1 4.24Å; F915-F950 HydrophobicContact CD1-CD1 4.02Å; F915-F950 HydrophobicContact CD1-CE1 4.45Å; F915-F950 AromaticContact CD2-CD1 3.51Å; F915-F950 HydrophobicContact CD2-CD1 3.51Å; F915-F950 AromaticContact CD2-CE1 3.9Å; F915-F950 HydrophobicContact CD2-CE1 3.9Å; F915-F950 HydrophobicContact CE1-CD1 4.04Å; F915-F950 HydrophobicContact CE2-CB 4.11Å; F915-F950 AromaticContact CE2-CD1 3.54Å; F915-F950 HydrophobicContact CE2-CD1 3.54Å; F915-F950 HydrophobicContact CE2-CE1 4.38Å; F915-F950 HydrophobicContact CE2-CG 4.19Å; F915-F950 AromaticContact CG-CD1 3.76Å; F915-F950 HydrophobicContact CG-CD1 3.76Å; F915-F950 AromaticContact CG-CE1 3.94Å; F915-F950 HydrophobicContact CG-CE1 3.94Å; F915-F950 HydrophobicContact CZ-CB 4.06Å; F915-F950 AromaticContact CZ-CD1 3.81Å; F915-F950 HydrophobicContact CZ-CD1 3.81Å; F915-F950 HydrophobicContact CZ-CG 4.42Å; T919-F950 HydrophobicContact CG2-CE1 4.49Å; I920-F950 HydrophobicContact CG1-CE1 4.25Å; I920-F950 HydrophobicContact CG1-CZ 4.38Å; F923-F950 HydrophobicContact CB-CE2 4.07Å; F923-F950 HydrophobicContact CB-CZ 3.83Å; F923-F950 AromaticContact CD1-CE2 3.73Å; F923-F950 HydrophobicContact CD1-CE2 3.73Å; F923-F950 AromaticContact CD1-CZ 3.91Å; F923-F950 HydrophobicContact CD1-CZ 3.91Å; F923-F950 AromaticContact CD2-CE2 3.69Å; F923-F950 HydrophobicContact CD2-CE2 3.69Å; F923-F950 HydrophobicContact CD2-CZ 4.33Å; F923-F950 HydrophobicContact CE1-CE2 4.05Å; F923-F950 HydrophobicContact CE2-CE2 4.05Å; F923-F950 AromaticContact CG-CE2 3.53Å; F923-F950 HydrophobicContact CG-CE2 3.53Å; F923-F950 AromaticContact CG-CZ 3.75Å; F923-F950 HydrophobicContact CG-CZ 3.75Å; F923-F950 HydrophobicContact CZ-CE2 4.21Å; K946-F950 HydrophobicContact CG-CD2 4Å; K946-F950 WeakPolarHBondContact O-CD2 3.43Å; K946-F950 PolarHBondContact O-N 3.47Å; F950-N952 VanDerWaalsContact C-N 3.27Å; F950-N952 PolarHBondContact O-N 3.41Å
951G63.4Low58Low40 Ų4093.8 Ų93.841%0.41255%0.549SS..THydrogen-bonded Turntrans-67.8-8.3-165.300000117.9V947V947-G951 WeakPolarHBondContact O-CA 3.48Å; V947-G951 PolarHBondContact O-N 2.78Å
952N53.3Low55.7Low169 Ų16998.4 Ų98.490%0.90456%0.563SS**THydrogen-bonded Turntrans-93.29.1-173.7-76-17.5000115F950F950-N952 VanDerWaalsContact C-N 3.27Å; F950-N952 PolarHBondContact O-N 3.41Å
953A49.2Very low53.2Low78 Ų78103.8 Ų103.865%0.64560%0.596SS**SBendtrans-78.8-22.2-173.100000115.4
954V40.3Very low50.9Low131 Ų131104.2 Ų104.279%0.79461%0.606SS**SBendtrans-144.986.7-171.1-171.60000112.4
955S32.9Very low48.4Very low110 Ų110110 Ų11077%0.76963%0.628SS**  trans178.269.9153.535.90000114.9
956E30.5Very low46.2Very low203 Ų203114.9 Ų114.995%0.94966%0.66SS**  trans-135.289.3157.5-80-155.3154.500112
957S27.7Very low43.5Very low111 Ų111117.9 Ų117.978%0.77669%0.686SS**  trans-156.8136.2160.160.10000111
958E30.8Very low41Very low183 Ų183120.7 Ų120.786%0.85570%0.697SS**SBendtrans79.584.6171.2-51.5-162.1165.800118.4
959D27Very low38.9Very low154 Ų154119 Ų11982%0.82470%0.701SS**  75.390.7119.5-69.111.4000123.5
960A27.6Very low36.5Very low86 Ų86122.9 Ų122.971%0.71172%0.72SS**  97.2144.4103.800000122.2
961S29.4Very low33.9Very low108 Ų108127.9 Ų127.976%0.75575%0.752SS**  trans77137.6171.783.80000116.4
962N27.8Very low32.1Very low145 Ų145135.9 Ų135.978%0.77577%0.769SS**  cis-163.3153.7-2.1-126.3-26.4000112.8
963V30.6Very low30.7Very low123 Ų123136.1 Ų136.175%0.74577%0.765SS**  trans70.1130150.5166.30000118.8
964V30.6Very low29.7Very low110 Ų110138.7 Ų138.767%0.66777%0.773SS**  cis-170145.1-9.393.60000115.1
965K28.6Very low29.6Very low186 Ų186137.5 Ų137.581%0.80977%0.767SS**  trans65.5157.9155.7-75.9168.9-169.3178.80122.1
966P37.1Very low29.4Very low109 Ų109141.7 Ų141.771%0.70877%0.772SS**  cis-136.4140-21.133.6-13.6000118.1
967S24.3Very low29Very low102 Ų102138.6 Ų138.671%0.71377%0.766SS**  trans-1.2159135.757.50000121.8
968L25Very low28.8Very low152 Ų152140.4 Ų140.480%0.79677%0.766SS**  cis-173.8-168.5-2-102.7168.6000106.5
969P39.7Very low28.6Very low113 Ų113137.6 Ų137.673%0.73476%0.761SS**  cis-127-170.9-1.120.86.5000113.7
970E28.7Very low28.5Very low151 Ų151139.2 Ų139.271%0.70676%0.763SS**  cis-172.3173.2-30.8-178.6176.4171.300108.8
971V27.6Very low28.3Very low122 Ų122141.1 Ų141.174%0.73977%0.766SS**  trans111.391.9151.8-169.20000118.6
972R25.4Very low28.7Very low208 Ų208140.7 Ų140.779%0.78576%0.761SS**  trans-1.9152.5136.4-66.3168167.9158.2-4.7117.8
973Q23.5Very low28.5Very low174 Ų174140 Ų14081%0.81376%0.762SS**  cis-172.9-176.644.7-144.2162.725.500113.1
974V29.3Very low29.3Very low132 Ų132139 Ų13980%0.876%0.758SS**  trans-149.6156.7-174.4-151.30000106.7
975P37.1Very low29Very low106 Ų106140.7 Ų140.769%0.68876%0.764SS**  cis-149.3-179.826.846.8-26.2000120.3
976K29Very low29Very low197 Ų197139.7 Ų139.786%0.85776%0.762SS**  trans26122.7147.4-64.9179.1178.7-1780122
977V21.3Very low28.4Very low138 Ų138140 Ų14084%0.83676%0.758SS**  trans-148.7102.5142.8-1780000113.3
978I25.2Very low28.3Very low149 Ų149142.9 Ų142.976%0.76476%0.762SS**  45.1113.4128.3-65.5169.5000122.5
979V26.7Very low28.4Very low124 Ų124142.5 Ų142.575%0.75276%0.76SS**  trans63.4128.6131.71770000122.8
980Q24.3Very low27.9Very low188 Ų188147.5 Ų147.588%0.87977%0.765SS**  -163.8162124.2-109.6172.72400114.5
981T23.1Very low28.3Very low126 Ų126144.2 Ų144.277%0.77377%0.773SS**  trans-146.8172.7179.150.70000108.5
982P37.9Very low28.1Very low99 Ų99141.7 Ų141.764%0.64377%0.771SS**  cis-131.8-174.6-43.637.8-21.8000113.1
983T24.6Very low28.5Very low130 Ų130137.4 Ų137.480%0.79877%0.768SS**  trans65.7157.7156.545.80000120.5
984P46.6Very low28.8Very low102 Ų102136.1 Ų136.166%0.66277%0.767SS**  cis-136.6-165.8-21.333.6-11.3000114.6
985D23.9Very low29.7Very low147 Ų147134 Ų13479%0.78675%0.75SS**  trans107.3120147.4-64.6-16.6000123.1
986E28.9Very low30.2Very low164 Ų164132.1 Ų132.177%0.76674%0.74SS**  trans71.198.8142.5-66.8-140-177.700124.9
987N24.1Very low31Very low117 Ų117124.5 Ų124.563%0.62671%0.711SS**  96.6143.1110.2-87-36.6000124.1
988M23.5Very low32.5Very low161 Ų161119.4 Ų119.479%0.79368%0.678SS**  trans67.7114.8162.5-61.7-79.3163.700116.9
989L26.8Very low34Very low145 Ų145114.5 Ų114.576%0.75966%0.657SS**  -164.2156.571-85.6162000112.9
990Y28.9Very low35.5Very low217 Ų217110.6 Ų110.685%0.85163%0.632SS**  trans22.8122.7166.1-69.6-83.4000121.6G992Y990-G992 PolarHBondContact O-N 3.49Å
991G36.2Very low37Very low83 Ų83108.6 Ų108.686%0.85662%0.622SS**  trans-76116.616100000112.2
992G24.6Very low38.7Very low69 Ų69106.8 Ų106.871%0.71161%0.605SS**  trans-86.6174.6152.900000110.6Y990 D994Y990-G992 PolarHBondContact O-N 3.49Å; G992-D994 PolarHBondContact O-N 3.38Å
993T32.4Very low39.8Very low117 Ų117102.5 Ų102.572%0.71858%0.577SS**  trans-59.9131177.743.60000113I995T993-I995 VanDerWaalsContact C-N 3.26Å; T993-I995 PolarHBondContact O-N 3.43Å
994D31.2Very low41.5Very low148 Ų14897.3 Ų97.379%0.79155%0.546SS*.  trans-63.881.1168.9-74-26.6000111.3G992G992-D994 PolarHBondContact O-N 3.38Å
995I46.7Very low42Very low86 Ų8698.4 Ų98.444%0.44154%0.542SS..  trans-91.7130.5167.7-59.2175.6000107L866 T993L866-I995 HydrophobicContact CD1-CD1 3.75Å; L866-I995 HydrophobicContact CD2-CD1 3.84Å; L866-I995 HydrophobicContact CG-CD1 4.47Å; T993-I995 VanDerWaalsContact C-N 3.26Å; T993-I995 PolarHBondContact O-N 3.43Å
996S47.9Very low43.4Very low68 Ų6893 Ų9348%0.47651%0.511SS..  trans61.1109-155.775.30000112.9
997S46.6Very low44.7Very low36 Ų3685.5 Ų85.525%0.25248%0.476SS..  trans-120.925.4172.394.10000112.5K830K830-S997 PolarHBondContact NZ-OG 3.44Å
998F53.3Low46Very low31 Ų3185 Ų8514%0.13647%0.473CS..SBendtrans-148.9141.6-179.4-58.6-68.1000107.4A827 K830 M831 I1003A827-F998 HydrophobicContact CB-CD1 4.41Å; A827-F998 HydrophobicContact CB-CE1 3.71Å; A827-F998 WeakPolarHBondContact O-CZ 3.47Å; K830-F998 HydrophobicContact CB-CZ 4.2Å; K830-F998 HydrophobicContact CD-CZ 4.2Å; K830-F998 HydrophobicContact CG-CZ 4.35Å; M831-F998 HydrophobicContact CB-CD2 4.25Å; M831-F998 HydrophobicContact CB-CE2 3.55Å; M831-F998 HydrophobicContact CB-CZ 3.83Å; M831-F998 HydrophobicContact CG-CD2 4.26Å; M831-F998 HydrophobicContact CG-CE2 3.99Å; M831-F998 HydrophobicContact SD-CD2 4.23Å; M831-F998 HydrophobicContact SD-CE2 4.47Å; F998-I1003 HydrophobicContact CB-CD1 4.3Å; F998-I1003 HydrophobicContact CB-CG1 4.36Å
999S55.6Low47Very low46 Ų4686.8 Ų86.832%0.32247%0.471SS..  trans-84.5152.5171.573.70000110.7E1001 E1002 I1003S999-E1001 PolarHBondContact O-N 3.03Å; S999-E1001 VanDerWaalsContact O-N 3.14Å; S999-E1002 PolarHBondContact O-N 3.13Å; S999-E1002 VanDerWaalsContact O-N 3.13Å; S999-E1002 PolarHBondContact OG-N 3.19Å; S999-I1003 WeakPolarHBondContact O-CG1 3.45Å; S999-I1003 PolarHBondContact O-N 3.3Å
1000N57.7Low48.1Very low43 Ų4380.3 Ų80.323%0.2344%0.438CS..Hα-helixtrans-54.2-32.6171.9-66-23.3000111L878 I1003 C1004L878-N1000 WeakPolarHBondContact CB-OD1 3.24Å; L878-N1000 PolarHBondContact N-OD1 2.79Å; N1000-I1003 PolarHBondContact O-N 2.99Å; N1000-C1004 PolarHBondContact O-N 3.49Å; N1000-C1004 PolarHBondContact O-SG 3.49Å
1001E56.7Low49.2Very low145 Ų14570.8 Ų70.868%0.67840%0.401SS*.Hα-helixtrans-67-39.1178.9-52.5170.8140.600113.3S999 I1003 Q1005S999-E1001 PolarHBondContact O-N 3.03Å; S999-E1001 VanDerWaalsContact O-N 3.14Å; E1001-I1003 VanDerWaalsContact C-N 3.35Å; E1001-Q1005 WeakPolarHBondContact O-CG 3.49Å; E1001-Q1005 PolarHBondContact O-N 3Å
1002E58.4Low49.7Very low89 Ų8970.3 Ų70.342%0.41639%0.388SS..Hα-helixtrans-67.6-37.4173.6-73.8-175.5148.500111.4S999 Y1006S999-E1002 PolarHBondContact O-N 3.13Å; S999-E1002 VanDerWaalsContact O-N 3.13Å; S999-E1002 PolarHBondContact OG-N 3.19Å; E1002-Y1006 VanDerWaalsContact O-CD2 3.28Å; E1002-Y1006 WeakPolarHBondContact O-CD2 3.48Å; E1002-Y1006 WeakPolarHBondContact O-CE2 3.23Å
1003I60.7Low50.7Low9 Ų970.3 Ų70.35%0.04637%0.369CS..Hα-helixtrans-66.4-49.3179.9-64.7166.1000110.5L878 D879 M882 F998 S999 N1000 E1001 Q1005 Y1006 I1007L878-I1003 HydrophobicContact CD2-CB 4.07Å; L878-I1003 HydrophobicContact CD2-CG2 3.57Å; L878-I1003 HydrophobicContact CG-CG2 4.02Å; D879-I1003 HydrophobicContact CB-CD1 3.95Å; M882-I1003 HydrophobicContact CE-CG2 3.59Å; F998-I1003 HydrophobicContact CB-CD1 4.3Å; F998-I1003 HydrophobicContact CB-CG1 4.36Å; S999-I1003 WeakPolarHBondContact O-CG1 3.45Å; S999-I1003 PolarHBondContact O-N 3.3Å; N1000-I1003 PolarHBondContact O-N 2.99Å; E1001-I1003 VanDerWaalsContact C-N 3.35Å; I1003-Q1005 VanDerWaalsContact C-N 3.33Å; I1003-Q1005 PolarHBondContact O-N 2.87Å; I1003-Y1006 PolarHBondContact O-N 3.5Å; I1003-Y1006 VanDerWaalsContact O-N 3.09Å; I1003-I1007 HydrophobicContact CG2-CD1 3.82Å
1004C59.9Low51.5Low21 Ų2167.5 Ų67.514%0.14235%0.345CS..Hα-helixtrans-55.2-44.6178.8-68.40000112.5N1000 Y1006 I1007N1000-C1004 PolarHBondContact O-N 3.49Å; N1000-C1004 PolarHBondContact O-SG 3.49Å; C1004-Y1006 PolarHBondContact O-N 2.84Å; C1004-I1007 PolarHBondContact O-N 3.42Å
1005Q57.5Low52.3Low125 Ų12565.5 Ų65.558%0.58433%0.329SS*.Hα-helixtrans-59.6-14.1179.9-72.8178.945.900115E1001 I1003E1001-Q1005 WeakPolarHBondContact O-CG 3.49Å; E1001-Q1005 PolarHBondContact O-N 3Å; I1003-Q1005 VanDerWaalsContact C-N 3.33Å; I1003-Q1005 PolarHBondContact O-N 2.87Å
1006Y54.7Low52.3Low33 Ų3367.7 Ų67.713%0.12934%0.338CS..Hα-helixtrans-105.5-7.5178.5-55.5-29.6000113.8Q824 E1002 I1003 C1004Q824-Y1006 HydrophobicContact CG-CD1 4.38Å; Q824-Y1006 HydrophobicContact CG-CE1 3.77Å; Q824-Y1006 HydrophobicContact CG-CE2 4.1Å; E1002-Y1006 VanDerWaalsContact O-CD2 3.28Å; E1002-Y1006 WeakPolarHBondContact O-CD2 3.48Å; E1002-Y1006 WeakPolarHBondContact O-CE2 3.23Å; I1003-Y1006 PolarHBondContact O-N 3.5Å; I1003-Y1006 VanDerWaalsContact O-N 3.09Å; C1004-Y1006 PolarHBondContact O-N 2.84Å
1007I55.9Low52.2Low7 Ų767.8 Ų67.84%0.03633%0.33CS..Hα-helixtrans-82.5-49.7-178.1-75173.1000111M882 F909 L912 I1003 C1004 R1009 S1010 F1011M882-I1007 HydrophobicContact SD-CD1 4.44Å; F909-I1007 HydrophobicContact CD1-CD1 4.12Å; F909-I1007 HydrophobicContact CD1-CG2 4.19Å; F909-I1007 HydrophobicContact CE1-CD1 4.13Å; L912-I1007 HydrophobicContact CD1-CD1 3.61Å; L912-I1007 HydrophobicContact CD1-CG2 4.41Å; I1003-I1007 HydrophobicContact CG2-CD1 3.82Å; C1004-I1007 PolarHBondContact O-N 3.42Å; I1007-R1009 VanDerWaalsContact C-N 3.25Å; I1007-R1009 PolarHBondContact O-N 2.91Å; I1007-S1010 PolarHBondContact O-N 3.17Å; I1007-F1011 HydrophobicContact CG2-CD2 3.53Å; I1007-F1011 HydrophobicContact CG2-CE2 3.76Å; I1007-F1011 PolarHBondContact O-N 3.05Å
1008D50.1Low52.3Low105 Ų10568.6 Ų68.656%0.56133%0.33SS*.Hα-helixtrans-47.5-41.9-173.8-53-9.6000114.4S1010D1008-S1010 VanDerWaalsContact C-N 3.3Å; D1008-S1010 PolarHBondContact O-N 3.31Å
1009R45.5Very low51.8Low199 Ų19970.7 Ų70.775%0.75135%0.353SS*.Hα-helixtrans-74.8-15.1-177.9-88-172.5172.2132.82.8114.8I1007I1007-R1009 VanDerWaalsContact C-N 3.25Å; I1007-R1009 PolarHBondContact O-N 2.91Å
1010S50.1Low51.2Low9 Ų974.7 Ų74.76%0.06337%0.367CS..Hα-helixtrans-97.1-30.8179.8-54.10000111.7I1007 D1008I1007-S1010 PolarHBondContact O-N 3.17Å; D1008-S1010 VanDerWaalsContact C-N 3.3Å; D1008-S1010 PolarHBondContact O-N 3.31Å
1011F51.8Low50.7Low18 Ų1876.7 Ų76.78%0.07938%0.376CS..Hα-helixtrans-78.6-26.9-177.2-88.7-92.3000114.7F764 F906 F909 I1007 F1013 W1014 K1015F764-F1011 HydrophobicContact CE2-CD2 4.38Å; F764-F1011 AromaticContact CE2-CE2 3.64Å; F764-F1011 HydrophobicContact CE2-CE2 3.64Å; F764-F1011 HydrophobicContact CE2-CZ 4.16Å; F764-F1011 HydrophobicContact CZ-CE2 4.35Å; F906-F1011 HydrophobicContact CD2-CD1 4.38Å; F909-F1011 HydrophobicContact CB-CD1 4.17Å; F909-F1011 HydrophobicContact CB-CD2 4.45Å; F909-F1011 HydrophobicContact CB-CE1 3.6Å; F909-F1011 HydrophobicContact CB-CE2 3.9Å; F909-F1011 HydrophobicContact CB-CZ 3.45Å; F909-F1011 VanDerWaalsContact CB-CZ 3.45Å; F909-F1011 AromaticContact CD1-CE2 3.96Å; F909-F1011 HydrophobicContact CD1-CE2 3.96Å; F909-F1011 AromaticContact CD1-CZ 3.92Å; F909-F1011 HydrophobicContact CD1-CZ 3.92Å; F909-F1011 HydrophobicContact CD2-CE1 4.06Å; F909-F1011 HydrophobicContact CD2-CE2 4.34Å; F909-F1011 AromaticContact CD2-CZ 3.49Å; F909-F1011 HydrophobicContact CD2-CZ 3.49Å; F909-F1011 VanDerWaalsContact CD2-CZ 3.49Å; F909-F1011 HydrophobicContact CE2-CZ 4.23Å; F909-F1011 AromaticContact CG-CE1 3.97Å; F909-F1011 HydrophobicContact CG-CE1 3.97Å; F909-F1011 AromaticContact CG-CE2 3.82Å; F909-F1011 HydrophobicContact CG-CE2 3.82Å; F909-F1011 AromaticContact CG-CZ 3.34Å; F909-F1011 HydrophobicContact CG-CZ 3.34Å; I1007-F1011 HydrophobicContact CG2-CD2 3.53Å; I1007-F1011 HydrophobicContact CG2-CE2 3.76Å; I1007-F1011 PolarHBondContact O-N 3.05Å; F1011-F1013 PolarHBondContact O-N 3.24Å; F1011-W1014 HydrophobicContact CD1-CB 4.32Å; F1011-W1014 HydrophobicContact CE1-CE3 4.47Å; F1011-W1014 WeakPolarHBondContact O-CA 3.3Å; F1011-W1014 VanDerWaalsContact O-CB 3.25Å; F1011-W1014 WeakPolarHBondContact O-CB 3.46Å; F1011-W1014 PolarHBondContact O-N 3.07Å; F1011-K1015 PolarHBondContact O-N 3.23Å
1012A46.7Very low50Low72 Ų7272.5 Ų72.560%0.59536%0.356SS*.Hα-helixtrans-58.2-32.3175.400000113.4E1016A1012-E1016 PolarHBondContact O-N 3.43Å
1013F44.7Very low48.9Very low70 Ų7075.4 Ų75.431%0.30737%0.374SS..Hα-helixtrans-77.3-26173173.2-105.7000112.9H767 F1011 E1016 K1017H767-F1013 AromaticContact CE1-CD1 3.69Å; H767-F1013 AromaticContact CE1-CG 3.59Å; H767-F1013 AromaticContact CG-CD1 3.92Å; H767-F1013 AromaticContact ND1-CD1 3.38Å; H767-F1013 WeakPolarHBondContact ND1-CD1 3.36Å; H767-F1013 AromaticContact ND1-CE1 3.77Å; H767-F1013 AromaticContact ND1-CG 3.77Å; F1011-F1013 PolarHBondContact O-N 3.24Å; F1013-E1016 PolarHBondContact O-N 2.95Å; F1013-K1017 HydrophobicContact CE1-CG 4.33Å; F1013-K1017 HydrophobicContact CE2-CG 4.15Å; F1013-K1017 HydrophobicContact CZ-CG 3.94Å; F1013-K1017 PolarHBondContact O-N 3.18Å
1014W50.5Low47.9Very low58 Ų5882.8 Ų82.822%0.2241%0.406CS..Hα-helixtrans-68.7-43.6174.4-13573000110.3I760 F906 F1011 E1016 K1017 E1018I760-W1014 HydrophobicContact CG2-CZ2 4.18Å; F906-W1014 HydrophobicContact CB-CZ3 4.05Å; F906-W1014 AromaticContact CD2-CE3 3.79Å; F906-W1014 HydrophobicContact CD2-CE3 3.79Å; F906-W1014 AromaticContact CD2-CZ3 3.97Å; F906-W1014 HydrophobicContact CD2-CZ3 3.97Å; F906-W1014 HydrophobicContact CE2-CE3 4.48Å; F906-W1014 HydrophobicContact CG-CZ3 4.42Å; F1011-W1014 HydrophobicContact CD1-CB 4.32Å; F1011-W1014 HydrophobicContact CE1-CE3 4.47Å; F1011-W1014 WeakPolarHBondContact O-CA 3.3Å; F1011-W1014 VanDerWaalsContact O-CB 3.25Å; F1011-W1014 WeakPolarHBondContact O-CB 3.46Å; F1011-W1014 PolarHBondContact O-N 3.07Å; W1014-E1016 PolarHBondContact O-N 3.4Å; W1014-K1017 CarbonylContact O-C 3.54Å; W1014-K1017 PolarHBondContact O-N 3.46Å; W1014-E1018 PolarHBondContact O-N 3.02Å
1015K46.2Very low46.4Very low105 Ų10594.5 Ų94.546%0.45746%0.459SS..Hα-helixtrans-60.8-26173.3-140.1158.9-167.5151.70113.3F906 D910 F1011F906-K1015 HydrophobicContact CZ-CD 4.04Å; F906-K1015 HydrophobicContact CZ-CG 4.22Å; D910-K1015 VanDerWaalsContact CG-NZ 3.26Å; D910-K1015 IonicContact OD1-NZ 2.61Å; D910-K1015 PolarHBondContact OD1-NZ 2.92Å; D910-K1015 IonicContact OD2-NZ 3.99Å; D910-K1015 PolarHBondContact OD2-NZ 3.46Å; D910-K1015 VanDerWaalsContact OD2-NZ 3.07Å; F1011-K1015 PolarHBondContact O-N 3.23Å
1016E46.9Very low45.9Very low133 Ų13393 Ų9362%0.62145%0.453SS*.Hα-helixtrans-80.2-25172.7-172.4178-14800112.8A1012 F1013 W1014A1012-E1016 PolarHBondContact O-N 3.43Å; F1013-E1016 PolarHBondContact O-N 2.95Å; W1014-E1016 PolarHBondContact O-N 3.4Å
1017K46.6Very low45.4Very low69 Ų6996.1 Ų96.130%0.347%0.47SS..Hα-helixtrans-100-18.4179.7-72.8-63.1178.9-170.40115.1F1013 W1014 A1019 E1020 I1021F1013-K1017 HydrophobicContact CE1-CG 4.33Å; F1013-K1017 HydrophobicContact CE2-CG 4.15Å; F1013-K1017 HydrophobicContact CZ-CG 3.94Å; F1013-K1017 PolarHBondContact O-N 3.18Å; W1014-K1017 CarbonylContact O-C 3.54Å; W1014-K1017 PolarHBondContact O-N 3.46Å; K1017-A1019 PolarHBondContact O-N 3.19Å; K1017-E1020 HydrophobicContact CD-CB 4.5Å; K1017-E1020 VanDerWaalsContact CD-OE2 3.31Å; K1017-E1020 WeakPolarHBondContact CD-OE2 3.43Å; K1017-E1020 IonicContact NZ-OE1 3.86Å; K1017-E1020 PolarHBondContact NZ-OE1 3.21Å; K1017-E1020 IonicContact NZ-OE2 3.57Å; K1017-E1020 PolarHBondContact NZ-OE2 2.94Å; K1017-E1020 PolarHBondContact O-N 3.43Å; K1017-I1021 HydrophobicContact CB-CD1 4.5Å; K1017-I1021 WeakPolarHBondContact O-CD1 3.46Å; K1017-I1021 VanDerWaalsContact O-CG1 3.28Å; K1017-I1021 WeakPolarHBondContact O-CG1 3.12Å; K1017-I1021 PolarHBondContact O-N 3.2Å
1018E49.1Very low44.8Very low53 Ų53101.1 Ų101.125%0.24849%0.494CS..Hα-helixtrans-51.4-44.6167.7-175.9174.4-161.900111.3W1014 E1020 I1021 F1022W1014-E1018 PolarHBondContact O-N 3.02Å; E1018-E1020 PolarHBondContact O-N 3.13Å; E1018-I1021 PolarHBondContact O-N 2.87Å; E1018-F1022 HydrophobicContact CG-CD2 4.49Å; E1018-F1022 PolarHBondContact O-N 2.91Å; E1018-F1022 VanDerWaalsContact O-N 3.12Å
1019A43.4Very low44.5Very low76 Ų76100.8 Ų100.863%0.62849%0.49SS*.Hα-helixtrans-69.8-5.3176.600000115.6K1017K1017-A1019 PolarHBondContact O-N 3.19Å
1020E43.1Very low44.4Very low130 Ų13094.7 Ų94.761%0.60747%0.473SS*.Hα-helixtrans-106.3-9.8168.2-79-178.9-159.800112.6K1017 E1018K1017-E1020 HydrophobicContact CD-CB 4.5Å; K1017-E1020 VanDerWaalsContact CD-OE2 3.31Å; K1017-E1020 WeakPolarHBondContact CD-OE2 3.43Å; K1017-E1020 IonicContact NZ-OE1 3.86Å; K1017-E1020 PolarHBondContact NZ-OE1 3.21Å; K1017-E1020 IonicContact NZ-OE2 3.57Å; K1017-E1020 PolarHBondContact NZ-OE2 2.94Å; K1017-E1020 PolarHBondContact O-N 3.43Å; E1018-E1020 PolarHBondContact O-N 3.13Å
1021I45.1Very low44.1Very low84 Ų84100.4 Ų100.443%0.43150%0.501SS..Hα-helixtrans-99.9-26.5-175.5-69.6167.2000111.1K1017 E1018K1017-I1021 HydrophobicContact CB-CD1 4.5Å; K1017-I1021 WeakPolarHBondContact O-CD1 3.46Å; K1017-I1021 VanDerWaalsContact O-CG1 3.28Å; K1017-I1021 WeakPolarHBondContact O-CG1 3.12Å; K1017-I1021 PolarHBondContact O-N 3.2Å; E1018-I1021 PolarHBondContact O-N 2.87Å
1022F44Very low43.5Very low57 Ų57106.3 Ų106.325%0.2553%0.531CS..  trans-128.190.8174.8-57.9-69.4000110.6K899 E1018 F1024K899-F1022 HydrophobicContact CD-CE1 3.92Å; K899-F1022 HydrophobicContact CG-CE1 3.89Å; K899-F1022 HydrophobicContact CG-CZ 4Å; E1018-F1022 HydrophobicContact CG-CD2 4.49Å; E1018-F1022 PolarHBondContact O-N 2.91Å; E1018-F1022 VanDerWaalsContact O-N 3.12Å; F1022-F1024 HydrophobicContact CB-CD2 4.04Å; F1022-F1024 HydrophobicContact CB-CE2 3.67Å; F1022-F1024 HydrophobicContact CB-CZ 4.33Å; F1022-F1024 VanDerWaalsContact O-CD2 3.31Å; F1022-F1024 WeakPolarHBondContact O-CD2 3.48Å; F1022-F1024 PolarHBondContact O-N 3.18Å
1023D33.4Very low43.3Very low150 Ų150108.9 Ų108.980%0.80253%0.526SS*.  trans-61.4122.9153.6-75.1-53.3000107.8
1024F40.1Very low43.1Very low165 Ų165112.2 Ų112.272%0.72454%0.544SS*.  trans-101.691174.3-77.6-93000109F1022F1022-F1024 HydrophobicContact CB-CD2 4.04Å; F1022-F1024 HydrophobicContact CB-CE2 3.67Å; F1022-F1024 HydrophobicContact CB-CZ 4.33Å; F1022-F1024 VanDerWaalsContact O-CD2 3.31Å; F1022-F1024 WeakPolarHBondContact O-CD2 3.48Å; F1022-F1024 PolarHBondContact O-N 3.18Å
1025E29.2Very low42.5Very low266 Ų266117.1 Ų117.1100%1.24357%0.574SS**  trans-990158.9-65.8-161.8136.800110.7

Retrieved 1,025 of 1,025 residues in 355.2 ms (Link to these results)

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