G4VDJ1_SCHMA Loading...

Ccr4 not-related

AlphaFold DB , UniProt , Accession G4VDJ1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 818 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
1M66.5Low86.9Confident213 Ų21397.9 Ų97.9100%1.04949%0.485SS*.  0-420-95.4-155.8-80.300112.7D3 K4 R5M1-D3 VanDerWaalsContact C-N 3.31Å; M1-D3 PolarHBondContact O-N 2.99Å; M1-K4 PolarHBondContact O-N 2.64Å; M1-R5 PolarHBondContact O-N 2.83Å
2A83Confident87.5Confident75 Ų7598.3 Ų98.362%0.6248%0.484SS*.Hα-helixtrans-52.4-44.3-176.200000114K4 R5 K6A2-K4 VanDerWaalsContact C-N 3.34Å; A2-K4 PolarHBondContact O-N 2.73Å; A2-R5 WeakPolarHBondContact O-CA 3.28Å; A2-R5 WeakPolarHBondContact O-CB 3.31Å; A2-R5 PolarHBondContact O-N 3.05Å; A2-K6 PolarHBondContact O-N 3.18Å
3D84.6Confident88Confident119 Ų11999.1 Ų99.164%0.63648%0.478SS*.Hα-helixtrans-61.9-41.3-174-39.5-78.6000111.9M1 R5 K6 L7M1-D3 VanDerWaalsContact C-N 3.31Å; M1-D3 PolarHBondContact O-N 2.99Å; D3-R5 VanDerWaalsContact C-N 3.33Å; D3-R5 PolarHBondContact O-N 3.45Å; D3-K6 WeakPolarHBondContact O-CB 3.45Å; D3-K6 PolarHBondContact O-N 3.2Å; D3-L7 WeakPolarHBondContact O-CB 3.43Å; D3-L7 PolarHBondContact O-N 3.4Å
4K84.4Confident88.5Confident97 Ų9792.1 Ų92.142%0.42245%0.445SS..Hα-helixtrans-65.8-34.4174.7-169.7-179.5-177.894.40112.2M1 A2 Q8 E70M1-K4 PolarHBondContact O-N 2.64Å; A2-K4 VanDerWaalsContact C-N 3.34Å; A2-K4 PolarHBondContact O-N 2.73Å; K4-Q8 WeakPolarHBondContact O-CB 3.47Å; K4-Q8 PolarHBondContact O-N 2.82Å; K4-E70 PolarHBondContact NZ-O 3.05Å
5R87.8Confident88.9Confident211 Ų21188.6 Ų88.680%0.79643%0.429SS*.Hα-helixtrans-71.1-36.1175.1-160.4-179.9-165.2174.95.8111.3M1 A2 D3 S9M1-R5 PolarHBondContact O-N 2.83Å; A2-R5 WeakPolarHBondContact O-CA 3.28Å; A2-R5 WeakPolarHBondContact O-CB 3.31Å; A2-R5 PolarHBondContact O-N 3.05Å; D3-R5 VanDerWaalsContact C-N 3.33Å; D3-R5 PolarHBondContact O-N 3.45Å; R5-S9 PolarHBondContact O-N 3.2Å
6K90.9Very high89.4Confident141 Ų14191.3 Ų91.361%0.61344%0.438SS*.Hα-helixtrans-64.5-50.7172-176.5-177.5175.9-174.80111.2A2 D3 Q8 S9 D10A2-K6 PolarHBondContact O-N 3.18Å; D3-K6 WeakPolarHBondContact O-CB 3.45Å; D3-K6 PolarHBondContact O-N 3.2Å; K6-Q8 VanDerWaalsContact C-N 3.3Å; K6-Q8 PolarHBondContact O-N 3.21Å; K6-S9 PolarHBondContact O-N 2.75Å; K6-S9 VanDerWaalsContact O-N 3.13Å; K6-D10 WeakPolarHBondContact O-CB 3.19Å; K6-D10 PolarHBondContact O-N 3.47Å
7L90.8Very high89.8Confident28 Ų2892.8 Ų92.815%0.14744%0.438CS..Hα-helixtrans-55.2-44.5175.7177.862.1000111.9D3 D10 I11 E70 V71D3-L7 WeakPolarHBondContact O-CB 3.43Å; D3-L7 PolarHBondContact O-N 3.4Å; L7-D10 PolarHBondContact O-N 3.02Å; L7-I11 HydrophobicContact CD1-CD1 4.14Å; L7-I11 HydrophobicContact CD1-CG1 4.47Å; L7-I11 HydrophobicContact CG-CD1 4.04Å; L7-I11 WeakPolarHBondContact O-CB 3.24Å; L7-I11 WeakPolarHBondContact O-CG1 3.5Å; L7-I11 PolarHBondContact O-N 2.94Å; L7-E70 HydrophobicContact CD2-CB 3.87Å; L7-V71 HydrophobicContact CD2-CG2 4.13Å
8Q89.4Confident90.2Very high91 Ų9187.8 Ų87.843%0.42542%0.415SS..Hα-helixtrans-60.6-46.8175.7-176.362.835.900112.1K4 K6 D10 I11 E12K4-Q8 WeakPolarHBondContact O-CB 3.47Å; K4-Q8 PolarHBondContact O-N 2.82Å; K6-Q8 VanDerWaalsContact C-N 3.3Å; K6-Q8 PolarHBondContact O-N 3.21Å; Q8-D10 VanDerWaalsContact C-N 3.34Å; Q8-D10 PolarHBondContact O-N 3.03Å; Q8-I11 WeakPolarHBondContact O-CB 3.21Å; Q8-I11 PolarHBondContact O-N 3.18Å; Q8-E12 WeakPolarHBondContact CG-OE1 3.07Å; Q8-E12 PolarHBondContact NE2-OE1 3.12Å; Q8-E12 WeakPolarHBondContact O-CG 3.42Å; Q8-E12 PolarHBondContact O-N 3.41Å
9S92Very high90.5Very high48 Ų4888.5 Ų88.534%0.33642%0.418SS..Hα-helixtrans-66.1-34176.8-173.20000113.1R5 K6 R13R5-S9 PolarHBondContact O-N 3.2Å; K6-S9 PolarHBondContact O-N 2.75Å; K6-S9 VanDerWaalsContact O-N 3.13Å; S9-R13 VanDerWaalsContact O-CB 3.29Å; S9-R13 WeakPolarHBondContact O-CB 3.22Å; S9-R13 PolarHBondContact O-N 2.99Å; S9-R13 PolarHBondContact OG-NH2 3.45Å; S9-R13 VanDerWaalsContact OG-NH2 3.12Å
10D93.5Very high90.8Very high48 Ų4888.7 Ų88.726%0.25742%0.419SS..Hα-helixtrans-72-33.7176.3-70.1-22.3000111.8K6 L7 Q8 R13 N14 W65K6-D10 WeakPolarHBondContact O-CB 3.19Å; K6-D10 PolarHBondContact O-N 3.47Å; L7-D10 PolarHBondContact O-N 3.02Å; Q8-D10 VanDerWaalsContact C-N 3.34Å; Q8-D10 PolarHBondContact O-N 3.03Å; D10-R13 IonicContact OD1-CZ 2.78Å; D10-R13 IonicContact OD1-NH1 2.63Å; D10-R13 PolarHBondContact OD1-NH1 3.01Å; D10-R13 IonicContact OD1-NH2 2.64Å; D10-R13 PolarHBondContact OD1-NH2 3.31Å; D10-R13 VanDerWaalsContact OD1-NH2 3.17Å; D10-N14 WeakPolarHBondContact O-CB 3.4Å; D10-N14 PolarHBondContact O-N 3.44Å; D10-W65 HydrophobicContact CB-CZ2 4.44Å; D10-W65 WeakPolarHBondContact O-CH2 3.42Å
11I93.4Very high91Very high6 Ų684.8 Ų84.83%0.03140%0.402CS..Hα-helixtrans-63.7-51.8169-75.4164.6000110.6L7 Q8 R13 N14 L15 W65 V71 L77L7-I11 HydrophobicContact CD1-CD1 4.14Å; L7-I11 HydrophobicContact CD1-CG1 4.47Å; L7-I11 HydrophobicContact CG-CD1 4.04Å; L7-I11 WeakPolarHBondContact O-CB 3.24Å; L7-I11 WeakPolarHBondContact O-CG1 3.5Å; L7-I11 PolarHBondContact O-N 2.94Å; Q8-I11 WeakPolarHBondContact O-CB 3.21Å; Q8-I11 PolarHBondContact O-N 3.18Å; I11-R13 VanDerWaalsContact C-N 3.32Å; I11-R13 PolarHBondContact O-N 3Å; I11-N14 WeakPolarHBondContact O-CB 3.4Å; I11-N14 PolarHBondContact O-N 3.45Å; I11-L15 HydrophobicContact CG2-CD1 3.83Å; I11-L15 HydrophobicContact CG2-CG 4.36Å; I11-L15 WeakPolarHBondContact O-CG 3.04Å; I11-L15 PolarHBondContact O-N 3.21Å; I11-W65 HydrophobicContact CB-CZ3 4.43Å; I11-W65 HydrophobicContact CD1-CD2 4.48Å; I11-W65 HydrophobicContact CG1-CD2 3.81Å; I11-W65 HydrophobicContact CG1-CE3 3.71Å; I11-W65 HydrophobicContact CG1-CG 4.37Å; I11-W65 HydrophobicContact CG1-CH2 4.1Å; I11-W65 HydrophobicContact CG1-CZ2 4.21Å; I11-W65 HydrophobicContact CG1-CZ3 3.87Å; I11-V71 HydrophobicContact CD1-CG1 4.19Å; I11-V71 HydrophobicContact CD1-CG2 3.87Å; I11-L77 HydrophobicContact CG2-CD2 3.99Å
12E94Very high92.4Very high102 Ų10276.7 Ų76.748%0.47736%0.36SS..Hα-helixtrans-59-42.5179.1-73.1159.9-17100111.8Q8 N14 L15 K16Q8-E12 WeakPolarHBondContact CG-OE1 3.07Å; Q8-E12 PolarHBondContact NE2-OE1 3.12Å; Q8-E12 WeakPolarHBondContact O-CG 3.42Å; Q8-E12 PolarHBondContact O-N 3.41Å; E12-N14 VanDerWaalsContact C-N 3.27Å; E12-N14 PolarHBondContact O-N 2.87Å; E12-L15 PolarHBondContact O-N 3.02Å; E12-K16 PolarHBondContact O-N 3.35Å
13R94.5Very high93.1Very high109 Ų10976.8 Ų76.841%0.41135%0.353SS..Hα-helixtrans-72.3-17.2176-152.8-172.1-48.4104.714.3113.4S9 D10 I11 R17S9-R13 VanDerWaalsContact O-CB 3.29Å; S9-R13 WeakPolarHBondContact O-CB 3.22Å; S9-R13 PolarHBondContact O-N 2.99Å; S9-R13 PolarHBondContact OG-NH2 3.45Å; S9-R13 VanDerWaalsContact OG-NH2 3.12Å; D10-R13 IonicContact OD1-CZ 2.78Å; D10-R13 IonicContact OD1-NH1 2.63Å; D10-R13 PolarHBondContact OD1-NH1 3.01Å; D10-R13 IonicContact OD1-NH2 2.64Å; D10-R13 PolarHBondContact OD1-NH2 3.31Å; D10-R13 VanDerWaalsContact OD1-NH2 3.17Å; I11-R13 VanDerWaalsContact C-N 3.32Å; I11-R13 PolarHBondContact O-N 3Å; R13-R17 WeakPolarHBondContact O-CG 3.41Å; R13-R17 PolarHBondContact O-NH1 2.81Å
14N94.5Very high93.6Very high2 Ų272.5 Ų72.51%0.01133%0.334CS..Hα-helixtrans-84.3-47171.2179.8-65.7000110.4D10 I11 E12 K16 R17 V18 L58 Q61 I62 W65D10-N14 WeakPolarHBondContact O-CB 3.4Å; D10-N14 PolarHBondContact O-N 3.44Å; I11-N14 WeakPolarHBondContact O-CB 3.4Å; I11-N14 PolarHBondContact O-N 3.45Å; E12-N14 VanDerWaalsContact C-N 3.27Å; E12-N14 PolarHBondContact O-N 2.87Å; N14-K16 VanDerWaalsContact C-N 3.28Å; N14-K16 PolarHBondContact O-N 2.65Å; N14-R17 CarbonylContact O-C 3.49Å; N14-R17 WeakPolarHBondContact O-CA 3.36Å; N14-R17 WeakPolarHBondContact O-CB 3.21Å; N14-R17 PolarHBondContact O-N 2.76Å; N14-V18 PolarHBondContact O-N 2.69Å; N14-L58 WeakPolarHBondContact ND2-CD2 3.3Å; N14-Q61 PolarHBondContact ND2-OE1 2.89Å; N14-I62 WeakPolarHBondContact OD1-CD1 3.06Å; N14-I62 WeakPolarHBondContact OD1-CG1 3.14Å; N14-W65 HydrophobicContact CB-CH2 3.66Å; N14-W65 HydrophobicContact CB-CZ3 3.52Å
15L95.1Very high94.2Very high39 Ų3967.9 Ų67.920%0.20431%0.313CS..Hα-helixtrans-55.1-41.6174.4-69.3170000112I11 E12 R17 V18 Q19 P76 L77 A80I11-L15 HydrophobicContact CG2-CD1 3.83Å; I11-L15 HydrophobicContact CG2-CG 4.36Å; I11-L15 WeakPolarHBondContact O-CG 3.04Å; I11-L15 PolarHBondContact O-N 3.21Å; E12-L15 PolarHBondContact O-N 3.02Å; L15-R17 PolarHBondContact O-N 2.69Å; L15-V18 WeakPolarHBondContact O-CB 3.45Å; L15-V18 PolarHBondContact O-N 3Å; L15-Q19 PolarHBondContact O-N 3.35Å; L15-P76 HydrophobicContact CD1-CB 4Å; L15-P76 HydrophobicContact CD1-CG 4.42Å; L15-L77 HydrophobicContact CD2-CD2 4.38Å; L15-A80 HydrophobicContact CD2-CB 3.51Å
16K96Very high94.6Very high131 Ų13160.8 Ų60.857%0.5729%0.29SS*.Hα-helixtrans-60.4-42173.2-166.9177.7-171.5-89.20112.7E12 N14 V18 Q19 E20E12-K16 PolarHBondContact O-N 3.35Å; N14-K16 VanDerWaalsContact C-N 3.28Å; N14-K16 PolarHBondContact O-N 2.65Å; K16-V18 VanDerWaalsContact C-N 3.34Å; K16-Q19 PolarHBondContact O-N 3.25Å; K16-E20 IonicContact NZ-OE1 3.36Å; K16-E20 PolarHBondContact NZ-OE1 2.74Å; K16-E20 VanDerWaalsContact O-CG 3.27Å; K16-E20 WeakPolarHBondContact O-CG 3.35Å; K16-E20 PolarHBondContact O-N 3.12Å
17R95.7Very high94.9Very high117 Ų11759 Ų5944%0.44228%0.283SS..Hα-helixtrans-69.6-28.9176.4-71.2-176.6-168.7107.5-18.9113.4R13 N14 L15 E20 G21 L58R13-R17 WeakPolarHBondContact O-CG 3.41Å; R13-R17 PolarHBondContact O-NH1 2.81Å; N14-R17 CarbonylContact O-C 3.49Å; N14-R17 WeakPolarHBondContact O-CA 3.36Å; N14-R17 WeakPolarHBondContact O-CB 3.21Å; N14-R17 PolarHBondContact O-N 2.76Å; L15-R17 PolarHBondContact O-N 2.69Å; R17-E20 WeakPolarHBondContact CA-OE2 3.4Å; R17-G21 PolarHBondContact O-N 3.08Å; R17-L58 HydrophobicContact CB-CD1 4.03Å; R17-L58 HydrophobicContact CB-CD2 4.5Å
18V97Very high95.1Very high3 Ų359.1 Ų59.12%0.01828%0.284CS..Hα-helixtrans-62.5-53.6168.7173.50000108.7N14 L15 K16 E20 G21 R22 L58 I62 A80 I84N14-V18 PolarHBondContact O-N 2.69Å; L15-V18 WeakPolarHBondContact O-CB 3.45Å; L15-V18 PolarHBondContact O-N 3Å; K16-V18 VanDerWaalsContact C-N 3.34Å; V18-E20 VanDerWaalsContact C-N 3.35Å; V18-E20 PolarHBondContact O-N 3.25Å; V18-G21 PolarHBondContact O-N 2.96Å; V18-G21 VanDerWaalsContact O-N 3.16Å; V18-R22 HydrophobicContact CG1-CG 4Å; V18-R22 WeakPolarHBondContact O-CB 3.46Å; V18-R22 VanDerWaalsContact O-CG 3.29Å; V18-R22 WeakPolarHBondContact O-CG 3.07Å; V18-R22 PolarHBondContact O-N 3.48Å; V18-L58 HydrophobicContact CG2-CB 3.9Å; V18-L58 HydrophobicContact CG2-CD1 3.93Å; V18-I62 HydrophobicContact CG2-CD1 3.79Å; V18-A80 HydrophobicContact CG1-CB 4.35Å; V18-I84 HydrophobicContact CB-CD1 4.39Å; V18-I84 HydrophobicContact CG1-CD1 3.69Å; V18-I84 HydrophobicContact CG1-CG1 3.82Å; V18-I84 HydrophobicContact CG2-CD1 3.79Å
19Q96.3Very high95.4Very high101 Ų10155 Ų5547%0.47226%0.264SS..Hα-helixtrans-57-46.3179.2-172.459.559.600112.5L15 K16 G21 R22 T23L15-Q19 PolarHBondContact O-N 3.35Å; K16-Q19 PolarHBondContact O-N 3.25Å; Q19-G21 PolarHBondContact O-N 3.41Å; Q19-R22 PolarHBondContact O-N 2.89Å; Q19-T23 PolarHBondContact NE2-OG1 3.34Å; Q19-T23 WeakPolarHBondContact O-CB 3.44Å; Q19-T23 PolarHBondContact O-N 3.36Å; Q19-T23 PolarHBondContact O-OG1 3.39Å; Q19-T23 VanDerWaalsContact O-OG1 3.14Å
20E96Very high95.5Very high93 Ų9356.5 Ų56.544%0.43527%0.269SS..Hα-helixtrans-57.7-47.3175.6-71163.1171.800112K16 R17 V18 A24K16-E20 IonicContact NZ-OE1 3.36Å; K16-E20 PolarHBondContact NZ-OE1 2.74Å; K16-E20 VanDerWaalsContact O-CG 3.27Å; K16-E20 WeakPolarHBondContact O-CG 3.35Å; K16-E20 PolarHBondContact O-N 3.12Å; R17-E20 WeakPolarHBondContact CA-OE2 3.4Å; V18-E20 VanDerWaalsContact C-N 3.35Å; V18-E20 PolarHBondContact O-N 3.25Å; E20-A24 PolarHBondContact O-N 3.08Å
21G96.1Very high95.6Very high7 Ų758 Ų587%0.07227%0.273CS..Hα-helixtrans-69.9-33.7178.800000114R17 V18 Q19 A24 F25R17-G21 PolarHBondContact O-N 3.08Å; V18-G21 PolarHBondContact O-N 2.96Å; V18-G21 VanDerWaalsContact O-N 3.16Å; Q19-G21 PolarHBondContact O-N 3.41Å; G21-A24 PolarHBondContact O-N 2.89Å; G21-F25 WeakPolarHBondContact O-CB 3.43Å; G21-F25 PolarHBondContact O-N 3.31Å
22R96.3Very high95.5Very high42 Ų4258.2 Ų58.216%0.15827%0.274CS..Hα-helixtrans-68.3-43175.2-70.4-161.773.8-140.5-3.5111.2V18 Q19 F25 Q26 L55 E83 D87V18-R22 HydrophobicContact CG1-CG 4Å; V18-R22 WeakPolarHBondContact O-CB 3.46Å; V18-R22 VanDerWaalsContact O-CG 3.29Å; V18-R22 WeakPolarHBondContact O-CG 3.07Å; V18-R22 PolarHBondContact O-N 3.48Å; Q19-R22 PolarHBondContact O-N 2.89Å; R22-F25 PolarHBondContact O-N 3.42Å; R22-Q26 PolarHBondContact O-N 2.92Å; R22-L55 HydrophobicContact CG-CD1 4.28Å; R22-L55 HydrophobicContact CG-CD2 4.03Å; R22-E83 WeakPolarHBondContact CD-OE2 3.25Å; R22-E83 IonicContact CZ-OE2 3.58Å; R22-E83 IonicContact NE-OE2 2.61Å; R22-E83 IonicContact NH1-OE1 3.17Å; R22-E83 IonicContact NH1-OE2 2.74Å; R22-E83 PolarHBondContact NH1-OE2 3.27Å; R22-D87 WeakPolarHBondContact CG-OD2 3.45Å; R22-D87 IonicContact CZ-OD1 3.33Å; R22-D87 IonicContact CZ-OD2 3.3Å; R22-D87 IonicContact NE-OD1 2.83Å; R22-D87 IonicContact NE-OD2 3.36Å; R22-D87 PolarHBondContact NE-OD2 2.91Å; R22-D87 IonicContact NH2-OD1 2.96Å; R22-D87 PolarHBondContact NH2-OD1 2.72Å; R22-D87 IonicContact NH2-OD2 2.73Å; R22-D87 PolarHBondContact NH2-OD2 3.1Å
23T96.8Very high95.4Very high78 Ų7859.3 Ų59.348%0.47928%0.279SS..Hα-helixtrans-61.1-45173.4-64.10000111Q19 F25 Q26 E27Q19-T23 PolarHBondContact NE2-OG1 3.34Å; Q19-T23 WeakPolarHBondContact O-CB 3.44Å; Q19-T23 PolarHBondContact O-N 3.36Å; Q19-T23 PolarHBondContact O-OG1 3.39Å; Q19-T23 VanDerWaalsContact O-OG1 3.14Å; T23-F25 PolarHBondContact O-N 2.93Å; T23-Q26 PolarHBondContact O-N 2.92Å; T23-E27 WeakPolarHBondContact O-CB 3.19Å; T23-E27 PolarHBondContact O-N 2.97Å
24A96.1Very high95.2Very high28 Ų2858.7 Ų58.723%0.23129%0.291CS..Hα-helixtrans-62.9-40174.700000112.9E20 G21 E27 I28 E51E20-A24 PolarHBondContact O-N 3.08Å; G21-A24 PolarHBondContact O-N 2.89Å; A24-E27 PolarHBondContact O-N 3.18Å; A24-I28 WeakPolarHBondContact O-CD1 3.42Å; A24-I28 VanDerWaalsContact O-CG1 3.23Å; A24-I28 WeakPolarHBondContact O-CG1 3.48Å; A24-I28 PolarHBondContact O-N 3.3Å; A24-I28 VanDerWaalsContact O-N 3.1Å; A24-E51 HydrophobicContact CB-CG 4.22Å
25F96.8Very high95Very high0 Ų059.6 Ų59.60%030%0.297CS..Hα-helixtrans-62.7-44176.2178.8-96.4000111.8G21 R22 T23 I28 L29 L48 E51 I52 L55 D87 R90 F91G21-F25 WeakPolarHBondContact O-CB 3.43Å; G21-F25 PolarHBondContact O-N 3.31Å; R22-F25 PolarHBondContact O-N 3.42Å; T23-F25 PolarHBondContact O-N 2.93Å; F25-I28 PolarHBondContact O-N 3.38Å; F25-L29 HydrophobicContact CE1-CD2 4.37Å; F25-L29 VanDerWaalsContact O-CB 3.32Å; F25-L29 WeakPolarHBondContact O-CB 3.31Å; F25-L29 PolarHBondContact O-N 3.14Å; F25-L48 HydrophobicContact CD2-CD2 3.72Å; F25-L48 HydrophobicContact CE2-CB 4.33Å; F25-L48 HydrophobicContact CE2-CD2 3.63Å; F25-L48 HydrophobicContact CG-CD2 4.37Å; F25-L48 HydrophobicContact CZ-CD2 4.21Å; F25-L48 WeakPolarHBondContact O-CD2 3.33Å; F25-E51 HydrophobicContact CB-CG 4.15Å; F25-E51 HydrophobicContact CD2-CB 4.46Å; F25-I52 HydrophobicContact CD2-CB 4.3Å; F25-I52 HydrophobicContact CD2-CD1 4.28Å; F25-I52 HydrophobicContact CE2-CB 4.03Å; F25-I52 HydrophobicContact CE2-CD1 4.02Å; F25-I52 HydrophobicContact CE2-CG1 4.34Å; F25-I52 HydrophobicContact CZ-CD1 4.35Å; F25-L55 HydrophobicContact CB-CD1 4.09Å; F25-L55 HydrophobicContact CG-CD1 4.44Å; F25-D87 HydrophobicContact CD1-CB 3.92Å; F25-D87 HydrophobicContact CE1-CB 3.77Å; F25-D87 HydrophobicContact CZ-CB 4.38Å; F25-D87 WeakPolarHBondContact CZ-O 3.17Å; F25-R90 HydrophobicContact CE1-CB 4.45Å; F25-F91 HydrophobicContact CE2-CB 4.16Å; F25-F91 HydrophobicContact CE2-CD2 4.39Å; F25-F91 HydrophobicContact CZ-CB 4.02Å
26Q96.2Very high94.6Very high63 Ų6365.4 Ų65.429%0.29433%0.328SS..Hα-helixtrans-65-43.3175.5-171.467.763.300111.8R22 T23 I28 L29 D30R22-Q26 PolarHBondContact O-N 2.92Å; T23-Q26 PolarHBondContact O-N 2.92Å; Q26-I28 VanDerWaalsContact C-N 3.28Å; Q26-I28 PolarHBondContact O-N 2.97Å; Q26-L29 WeakPolarHBondContact O-CA 3.28Å; Q26-L29 WeakPolarHBondContact O-CB 3.42Å; Q26-L29 PolarHBondContact O-N 3.43Å; Q26-D30 PolarHBondContact NE2-OD1 2.97Å; Q26-D30 PolarHBondContact O-N 3.46Å
27E96.5Very high94Very high102 Ų10262.6 Ų62.648%0.47732%0.319SS..Hα-helixtrans-62.9-32.9179.5-162-157.214500112.9T23 A24 K31T23-E27 WeakPolarHBondContact O-CB 3.19Å; T23-E27 PolarHBondContact O-N 2.97Å; A24-E27 PolarHBondContact O-N 3.18Å; E27-K31 VanDerWaalsContact O-CD 3.32Å; E27-K31 WeakPolarHBondContact O-CD 3.5Å; E27-K31 WeakPolarHBondContact O-CE 3.43Å; E27-K31 VanDerWaalsContact O-CG 3.28Å; E27-K31 WeakPolarHBondContact O-CG 3.45Å; E27-K31 IonicContact OE1-NZ 2.73Å; E27-K31 PolarHBondContact OE1-NZ 2.95Å
28I95.2Very high93.5Very high31 Ų3161.5 Ų61.516%0.15933%0.327CS..Hα-helixtrans-77.6-34173.7-57.5161.5000110.5A24 F25 Q26 K31 F32 F44 D47 L48A24-I28 WeakPolarHBondContact O-CD1 3.42Å; A24-I28 VanDerWaalsContact O-CG1 3.23Å; A24-I28 WeakPolarHBondContact O-CG1 3.48Å; A24-I28 PolarHBondContact O-N 3.3Å; A24-I28 VanDerWaalsContact O-N 3.1Å; F25-I28 PolarHBondContact O-N 3.38Å; Q26-I28 VanDerWaalsContact C-N 3.28Å; Q26-I28 PolarHBondContact O-N 2.97Å; I28-K31 PolarHBondContact O-N 2.99Å; I28-F32 PolarHBondContact O-N 3.48Å; I28-F44 HydrophobicContact CG2-CB 4.35Å; I28-F44 HydrophobicContact CG2-CD1 4.12Å; I28-D47 HydrophobicContact CD1-CB 4.39Å; I28-D47 HydrophobicContact CG2-CB 4.08Å; I28-L48 HydrophobicContact CB-CD2 3.92Å; I28-L48 HydrophobicContact CB-CG 4.36Å; I28-L48 HydrophobicContact CG2-CD2 3.89Å; I28-L48 HydrophobicContact CG2-CG 3.75Å
29L94.5Very high92.9Very high4 Ų466.2 Ų66.22%0.02136%0.356CS..Hα-helixtrans-63.9-48.2177.217755.8000111.4F25 Q26 K31 F32 E33 L48 I94F25-L29 HydrophobicContact CE1-CD2 4.37Å; F25-L29 VanDerWaalsContact O-CB 3.32Å; F25-L29 WeakPolarHBondContact O-CB 3.31Å; F25-L29 PolarHBondContact O-N 3.14Å; Q26-L29 WeakPolarHBondContact O-CA 3.28Å; Q26-L29 WeakPolarHBondContact O-CB 3.42Å; Q26-L29 PolarHBondContact O-N 3.43Å; L29-K31 PolarHBondContact O-N 2.89Å; L29-F32 WeakPolarHBondContact O-CA 3.35Å; L29-F32 WeakPolarHBondContact O-CB 3.42Å; L29-F32 PolarHBondContact O-N 2.87Å; L29-E33 HydrophobicContact CD1-CG 4.1Å; L29-E33 WeakPolarHBondContact CD1-OE1 3.44Å; L29-E33 PolarHBondContact O-N 3Å; L29-L48 HydrophobicContact CB-CD2 4.13Å; L29-I94 HydrophobicContact CD1-CD1 3.33Å
30D95.2Very high92.6Very high80 Ų8066 Ų6643%0.42836%0.356SS..Hα-helixtrans-58.1-34.7177.6-58.9-19.6000111.1Q26 S34Q26-D30 PolarHBondContact NE2-OD1 2.97Å; Q26-D30 PolarHBondContact O-N 3.46Å; D30-S34 VanDerWaalsContact O-CB 3.3Å; D30-S34 WeakPolarHBondContact O-CB 3.36Å; D30-S34 PolarHBondContact O-N 3.27Å; D30-S34 PolarHBondContact O-OG 3.43Å
31K94.5Very high92.3Very high81 Ų8164.3 Ų64.335%0.35235%0.347SS..Hα-helixtrans-74.3-35.6174.8-68.1170.3-166.7175.60113E27 I28 L29 S34 T35 F44E27-K31 VanDerWaalsContact O-CD 3.32Å; E27-K31 WeakPolarHBondContact O-CD 3.5Å; E27-K31 WeakPolarHBondContact O-CE 3.43Å; E27-K31 VanDerWaalsContact O-CG 3.28Å; E27-K31 WeakPolarHBondContact O-CG 3.45Å; E27-K31 IonicContact OE1-NZ 2.73Å; E27-K31 PolarHBondContact OE1-NZ 2.95Å; I28-K31 PolarHBondContact O-N 2.99Å; L29-K31 PolarHBondContact O-N 2.89Å; K31-S34 WeakPolarHBondContact CA-OG 3.32Å; K31-S34 PolarHBondContact O-OG 3.16Å; K31-T35 WeakPolarHBondContact O-CB 3.49Å; K31-T35 PolarHBondContact O-N 2.87Å; K31-T35 PolarHBondContact O-OG1 3.3Å; K31-F44 HydrophobicContact CB-CD1 4.31Å; K31-F44 HydrophobicContact CB-CD2 4.43Å; K31-F44 HydrophobicContact CB-CE1 3.98Å; K31-F44 HydrophobicContact CB-CE2 4.12Å; K31-F44 HydrophobicContact CB-CZ 3.89Å; K31-F44 HydrophobicContact CD-CE1 4.3Å
32F93.1Very high92Very high10 Ų1070.7 Ų70.74%0.04438%0.375CS..Hα-helixtrans-67-37.7173.1177.5-89.2000112.3I28 L29 K41 F44 E45 L48 I94I28-F32 PolarHBondContact O-N 3.48Å; L29-F32 WeakPolarHBondContact O-CA 3.35Å; L29-F32 WeakPolarHBondContact O-CB 3.42Å; L29-F32 PolarHBondContact O-N 2.87Å; F32-K41 HydrophobicContact CD2-CB 4.22Å; F32-K41 HydrophobicContact CD2-CD 4.46Å; F32-K41 HydrophobicContact CD2-CG 4.34Å; F32-K41 WeakPolarHBondContact CD2-O 3.35Å; F32-K41 HydrophobicContact CE1-CD 4.43Å; F32-K41 HydrophobicContact CE2-CB 3.86Å; F32-K41 HydrophobicContact CE2-CD 4.01Å; F32-K41 HydrophobicContact CE2-CG 4.18Å; F32-K41 WeakPolarHBondContact CE2-O 3.48Å; F32-K41 HydrophobicContact CZ-CD 3.98Å; F32-K41 WeakPolarHBondContact O-CE 3.47Å; F32-K41 PolarHBondContact O-NZ 2.91Å; F32-F44 HydrophobicContact CB-CB 3.97Å; F32-F44 HydrophobicContact CD2-CB 4.01Å; F32-E45 HydrophobicContact CE2-CB 4.25Å; F32-L48 HydrophobicContact CB-CD1 4.13Å; F32-L48 HydrophobicContact CD2-CD1 4.48Å; F32-L48 HydrophobicContact CG-CD1 4.22Å; F32-I94 HydrophobicContact CD1-CG2 4.12Å; F32-I94 HydrophobicContact CE1-CG1 4.48Å; F32-I94 HydrophobicContact CE1-CG2 3.52Å; F32-I94 HydrophobicContact CE2-CG2 4.13Å; F32-I94 HydrophobicContact CZ-CG2 3.52Å
33E91.4Very high91.8Very high124 Ų12474.4 Ų74.458%0.57939%0.392SS*.Hα-helixtrans-75.4-44.9-179.8-70-176.1-173.700112L29 T35L29-E33 HydrophobicContact CD1-CG 4.1Å; L29-E33 WeakPolarHBondContact CD1-OE1 3.44Å; L29-E33 PolarHBondContact O-N 3Å; E33-T35 VanDerWaalsContact C-N 3.35Å; E33-T35 PolarHBondContact O-N 3.4Å
34S90.8Very high91.7Very high96 Ų9672.4 Ų72.467%0.67138%0.377SS*.Hα-helixtrans-71.3-20.9180550000115.2D30 K31D30-S34 VanDerWaalsContact O-CB 3.3Å; D30-S34 WeakPolarHBondContact O-CB 3.36Å; D30-S34 PolarHBondContact O-N 3.27Å; D30-S34 PolarHBondContact O-OG 3.43Å; K31-S34 WeakPolarHBondContact CA-OG 3.32Å; K31-S34 PolarHBondContact O-OG 3.16Å
35T89.5Confident91.5Very high22 Ų2272.2 Ų72.214%0.13537%0.371CS..  trans-87.1120.7-175.7-64.10000112.3K31 E33 N37 Q40 K41 F44K31-T35 WeakPolarHBondContact O-CB 3.49Å; K31-T35 PolarHBondContact O-N 2.87Å; K31-T35 PolarHBondContact O-OG1 3.3Å; E33-T35 VanDerWaalsContact C-N 3.35Å; E33-T35 PolarHBondContact O-N 3.4Å; T35-N37 HydrophobicContact CG2-CB 4.04Å; T35-Q40 HydrophobicContact CG2-CB 3.56Å; T35-Q40 HydrophobicContact CG2-CG 4.47Å; T35-K41 WeakPolarHBondContact O-CE 3.28Å; T35-F44 HydrophobicContact CG2-CE2 4.45Å
36N85.9Confident91.3Very high161 Ų16173.4 Ų73.486%0.86138%0.383SS*.  trans-90.1-2174.8-158.930.5000114.6
37N84.8Confident91.3Very high71 Ų7172 Ų7238%0.3838%0.378SS..  trans-83.4125.6180-179.8-57.2000111.1T35 T39 Q40 K41T35-N37 HydrophobicContact CG2-CB 4.04Å; N37-T39 PolarHBondContact OD1-N 2.97Å; N37-Q40 HydrophobicContact CB-CB 4.18Å; N37-Q40 HydrophobicContact CB-CG 4.2Å; N37-Q40 PolarHBondContact O-N 3.02Å; N37-Q40 PolarHBondContact OD1-N 2.76Å; N37-Q40 VanDerWaalsContact OD1-N 3.16Å; N37-K41 PolarHBondContact O-N 3.2Å
38P84.6Confident91.3Very high94 Ų9467.1 Ų67.161%0.6136%0.355SS*.Hα-helixtrans-65.8-41.5-174.225.6-34.1000113.5Q40 K41 E42P38-Q40 VanDerWaalsContact C-N 3.29Å; P38-Q40 PolarHBondContact O-N 3.12Å; P38-K41 WeakPolarHBondContact O-CB 3.36Å; P38-K41 PolarHBondContact O-N 3.09Å; P38-K41 VanDerWaalsContact O-N 3.16Å; P38-E42 PolarHBondContact O-N 3.45Å
39T85.3Confident91.3Very high102 Ų10268.4 Ų68.463%0.62636%0.359SS*.Hα-helixtrans-64.9-34.9179.4-48.40000111.6N37 K43N37-T39 PolarHBondContact OD1-N 2.97Å; T39-K43 PolarHBondContact O-N 2.81Å
40Q88.8Confident91.4Very high97 Ų9774.2 Ų74.245%0.45338%0.384SS..Hα-helixtrans-73.5-37.1173.3-66.7-1757.100112.1T35 N37 P38 E42 K43 F44T35-Q40 HydrophobicContact CG2-CB 3.56Å; T35-Q40 HydrophobicContact CG2-CG 4.47Å; N37-Q40 HydrophobicContact CB-CB 4.18Å; N37-Q40 HydrophobicContact CB-CG 4.2Å; N37-Q40 PolarHBondContact O-N 3.02Å; N37-Q40 PolarHBondContact OD1-N 2.76Å; N37-Q40 VanDerWaalsContact OD1-N 3.16Å; P38-Q40 VanDerWaalsContact C-N 3.29Å; P38-Q40 PolarHBondContact O-N 3.12Å; Q40-E42 PolarHBondContact O-N 3.38Å; Q40-K43 PolarHBondContact O-N 3.47Å; Q40-F44 HydrophobicContact CB-CD2 4.45Å; Q40-F44 HydrophobicContact CB-CE2 4.21Å; Q40-F44 WeakPolarHBondContact O-CD2 3.36Å; Q40-F44 WeakPolarHBondContact O-CG 3.3Å; Q40-F44 PolarHBondContact O-N 3.08Å
41K90.5Very high91.5Very high58 Ų5871.5 Ų71.525%0.25237%0.369SS..Hα-helixtrans-59.1-44.7172.2-76.9-148.5176.6-139.70112.3F32 T35 N37 P38 K43 F44 E45F32-K41 HydrophobicContact CD2-CB 4.22Å; F32-K41 HydrophobicContact CD2-CD 4.46Å; F32-K41 HydrophobicContact CD2-CG 4.34Å; F32-K41 WeakPolarHBondContact CD2-O 3.35Å; F32-K41 HydrophobicContact CE1-CD 4.43Å; F32-K41 HydrophobicContact CE2-CB 3.86Å; F32-K41 HydrophobicContact CE2-CD 4.01Å; F32-K41 HydrophobicContact CE2-CG 4.18Å; F32-K41 WeakPolarHBondContact CE2-O 3.48Å; F32-K41 HydrophobicContact CZ-CD 3.98Å; F32-K41 WeakPolarHBondContact O-CE 3.47Å; F32-K41 PolarHBondContact O-NZ 2.91Å; T35-K41 WeakPolarHBondContact O-CE 3.28Å; N37-K41 PolarHBondContact O-N 3.2Å; P38-K41 WeakPolarHBondContact O-CB 3.36Å; P38-K41 PolarHBondContact O-N 3.09Å; P38-K41 VanDerWaalsContact O-N 3.16Å; K41-K43 PolarHBondContact O-N 3.04Å; K41-F44 PolarHBondContact O-N 3.05Å; K41-E45 PolarHBondContact O-N 3.29Å
42E88.7Confident91.6Very high140 Ų14068.1 Ų68.165%0.65436%0.355SS*.Hα-helixtrans-59.5-44.8176.1-174.1-178.1-177.400111.7P38 Q40 F44 E45 G46P38-E42 PolarHBondContact O-N 3.45Å; Q40-E42 PolarHBondContact O-N 3.38Å; E42-F44 PolarHBondContact O-N 3.36Å; E42-E45 PolarHBondContact O-N 2.87Å; E42-G46 PolarHBondContact O-N 3.31Å
43K93.1Very high91.7Very high121 Ų12173.3 Ų73.353%0.52638%0.378SS..Hα-helixtrans-58.2-47.4173.7-174.9-167.8170.5-640111.7T39 Q40 K41 G46 D47T39-K43 PolarHBondContact O-N 2.81Å; Q40-K43 PolarHBondContact O-N 3.47Å; K41-K43 PolarHBondContact O-N 3.04Å; K43-G46 PolarHBondContact O-N 2.96Å; K43-D47 IonicContact NZ-OD2 2.69Å; K43-D47 PolarHBondContact NZ-OD2 3.26Å; K43-D47 PolarHBondContact O-N 3.09Å
44F94.1Very high92Very high35 Ų3572.5 Ų72.515%0.15437%0.372CS..Hα-helixtrans-69.4-34.6-179.5-67.4-53.2000112.7I28 K31 F32 T35 Q40 K41 E42 G46 D47 L48I28-F44 HydrophobicContact CG2-CB 4.35Å; I28-F44 HydrophobicContact CG2-CD1 4.12Å; K31-F44 HydrophobicContact CB-CD1 4.31Å; K31-F44 HydrophobicContact CB-CD2 4.43Å; K31-F44 HydrophobicContact CB-CE1 3.98Å; K31-F44 HydrophobicContact CB-CE2 4.12Å; K31-F44 HydrophobicContact CB-CZ 3.89Å; K31-F44 HydrophobicContact CD-CE1 4.3Å; F32-F44 HydrophobicContact CB-CB 3.97Å; F32-F44 HydrophobicContact CD2-CB 4.01Å; T35-F44 HydrophobicContact CG2-CE2 4.45Å; Q40-F44 HydrophobicContact CB-CD2 4.45Å; Q40-F44 HydrophobicContact CB-CE2 4.21Å; Q40-F44 WeakPolarHBondContact O-CD2 3.36Å; Q40-F44 WeakPolarHBondContact O-CG 3.3Å; Q40-F44 PolarHBondContact O-N 3.08Å; K41-F44 PolarHBondContact O-N 3.05Å; E42-F44 PolarHBondContact O-N 3.36Å; F44-G46 VanDerWaalsContact C-N 3.32Å; F44-G46 PolarHBondContact O-N 3.36Å; F44-D47 PolarHBondContact O-N 3.1Å; F44-L48 WeakPolarHBondContact O-CB 3.4Å; F44-L48 WeakPolarHBondContact O-CG 3.47Å; F44-L48 PolarHBondContact O-N 3.45Å
45E92.1Very high92.3Very high24 Ų2467.9 Ų67.911%0.11234%0.34CS..Hα-helixtrans-59.2-46.5168.6-166.2-144.5133.100110.1F32 K41 E42 D47 L48 K49 F91F32-E45 HydrophobicContact CE2-CB 4.25Å; K41-E45 PolarHBondContact O-N 3.29Å; E42-E45 PolarHBondContact O-N 2.87Å; E45-D47 VanDerWaalsContact C-N 3.27Å; E45-D47 PolarHBondContact O-N 3.16Å; E45-L48 PolarHBondContact O-N 3.18Å; E45-K49 WeakPolarHBondContact O-CB 3.39Å; E45-K49 PolarHBondContact O-N 3.48Å; E45-K49 IonicContact OE1-NZ 2.8Å; E45-K49 PolarHBondContact OE1-NZ 3.5Å; E45-F91 HydrophobicContact CG-CE2 4.41Å
46G93.4Very high92.6Very high25 Ų2570.5 Ų70.526%0.25835%0.351SS..Hα-helixtrans-58.8-34.617600000113.7E42 K43 F44 K50E42-G46 PolarHBondContact O-N 3.31Å; K43-G46 PolarHBondContact O-N 2.96Å; F44-G46 VanDerWaalsContact C-N 3.32Å; F44-G46 PolarHBondContact O-N 3.36Å; G46-K50 WeakPolarHBondContact O-CD 3.29Å; G46-K50 VanDerWaalsContact O-CE 3.23Å; G46-K50 WeakPolarHBondContact O-CE 3.49Å; G46-K50 VanDerWaalsContact O-CG 3.29Å; G46-K50 WeakPolarHBondContact O-CG 3.38Å; G46-K50 PolarHBondContact O-N 2.91Å
47D95.7Very high93.1Very high33 Ų3372 Ų7218%0.17634%0.344CS..Hα-helixtrans-79.5-42.4176.7-70.7-30.6000112.6I28 K43 F44 E45 K49 K50 E51I28-D47 HydrophobicContact CD1-CB 4.39Å; I28-D47 HydrophobicContact CG2-CB 4.08Å; K43-D47 IonicContact NZ-OD2 2.69Å; K43-D47 PolarHBondContact NZ-OD2 3.26Å; K43-D47 PolarHBondContact O-N 3.09Å; F44-D47 PolarHBondContact O-N 3.1Å; E45-D47 VanDerWaalsContact C-N 3.27Å; E45-D47 PolarHBondContact O-N 3.16Å; D47-K49 PolarHBondContact O-N 3.21Å; D47-K50 WeakPolarHBondContact O-CB 3.45Å; D47-K50 PolarHBondContact O-N 3.46Å; D47-K50 IonicContact OD1-NZ 3.34Å; D47-K50 PolarHBondContact OD1-NZ 3.49Å; D47-E51 PolarHBondContact O-N 3.31Å
48L96.1Very high93.6Very high0 Ų070 Ų700%033%0.333CS..Hα-helixtrans-54.2-43.3169.2-73.6170.1000111.4F25 I28 L29 F32 F44 E45 K50 E51 I52 F91 I94F25-L48 HydrophobicContact CD2-CD2 3.72Å; F25-L48 HydrophobicContact CE2-CB 4.33Å; F25-L48 HydrophobicContact CE2-CD2 3.63Å; F25-L48 HydrophobicContact CG-CD2 4.37Å; F25-L48 HydrophobicContact CZ-CD2 4.21Å; F25-L48 WeakPolarHBondContact O-CD2 3.33Å; I28-L48 HydrophobicContact CB-CD2 3.92Å; I28-L48 HydrophobicContact CB-CG 4.36Å; I28-L48 HydrophobicContact CG2-CD2 3.89Å; I28-L48 HydrophobicContact CG2-CG 3.75Å; L29-L48 HydrophobicContact CB-CD2 4.13Å; F32-L48 HydrophobicContact CB-CD1 4.13Å; F32-L48 HydrophobicContact CD2-CD1 4.48Å; F32-L48 HydrophobicContact CG-CD1 4.22Å; F44-L48 WeakPolarHBondContact O-CB 3.4Å; F44-L48 WeakPolarHBondContact O-CG 3.47Å; F44-L48 PolarHBondContact O-N 3.45Å; E45-L48 PolarHBondContact O-N 3.18Å; L48-K50 PolarHBondContact O-N 2.85Å; L48-E51 PolarHBondContact O-N 3.24Å; L48-I52 WeakPolarHBondContact O-CB 3.46Å; L48-I52 WeakPolarHBondContact O-CG2 3.48Å; L48-I52 PolarHBondContact O-N 3.44Å; L48-F91 HydrophobicContact CB-CD2 3.82Å; L48-F91 HydrophobicContact CB-CE2 3.77Å; L48-I94 HydrophobicContact CD1-CD1 4.3Å
49K95.7Very high94.1Very high58 Ų5867.6 Ų67.625%0.25231%0.312SS..Hα-helixtrans-65.8-23.1178.6-163.9173.3-137140.90113.3E45 D47 K53 F91 E95E45-K49 WeakPolarHBondContact O-CB 3.39Å; E45-K49 PolarHBondContact O-N 3.48Å; E45-K49 IonicContact OE1-NZ 2.8Å; E45-K49 PolarHBondContact OE1-NZ 3.5Å; D47-K49 PolarHBondContact O-N 3.21Å; K49-K53 WeakPolarHBondContact O-CD 3.28Å; K49-K53 VanDerWaalsContact O-CG 3.27Å; K49-K53 WeakPolarHBondContact O-CG 3.25Å; K49-F91 HydrophobicContact CB-CE2 3.97Å; K49-F91 HydrophobicContact CB-CZ 3.61Å; K49-F91 HydrophobicContact CD-CZ 4.24Å; K49-F91 HydrophobicContact CG-CE1 4.27Å; K49-F91 HydrophobicContact CG-CZ 3.73Å; K49-E95 WeakPolarHBondContact CE-OE1 3.45Å; K49-E95 IonicContact NZ-OE1 3.25Å; K49-E95 PolarHBondContact NZ-OE1 3.17Å
50K96.4Very high94.6Very high126 Ų12665.4 Ų65.455%0.54830%0.296SS..Hα-helixtrans-80-45.8170.6-66.3160.1-157.71640110.5G46 D47 L48 K53 K54G46-K50 WeakPolarHBondContact O-CD 3.29Å; G46-K50 VanDerWaalsContact O-CE 3.23Å; G46-K50 WeakPolarHBondContact O-CE 3.49Å; G46-K50 VanDerWaalsContact O-CG 3.29Å; G46-K50 WeakPolarHBondContact O-CG 3.38Å; G46-K50 PolarHBondContact O-N 2.91Å; D47-K50 WeakPolarHBondContact O-CB 3.45Å; D47-K50 PolarHBondContact O-N 3.46Å; D47-K50 IonicContact OD1-NZ 3.34Å; D47-K50 PolarHBondContact OD1-NZ 3.49Å; L48-K50 PolarHBondContact O-N 2.85Å; K50-K53 PolarHBondContact O-N 2.88Å; K50-K54 PolarHBondContact O-N 2.92Å
51E96.4Very high94.9Very high24 Ų2465 Ų6511%0.11230%0.295CS..Hα-helixtrans-68-44.9-176.1-155.258.8-134.400112.1A24 F25 D47 L48 K53 K54 L55A24-E51 HydrophobicContact CB-CG 4.22Å; F25-E51 HydrophobicContact CB-CG 4.15Å; F25-E51 HydrophobicContact CD2-CB 4.46Å; D47-E51 PolarHBondContact O-N 3.31Å; L48-E51 PolarHBondContact O-N 3.24Å; E51-K53 PolarHBondContact O-N 3.03Å; E51-K54 WeakPolarHBondContact O-CA 3.27Å; E51-K54 WeakPolarHBondContact O-CB 3.46Å; E51-K54 PolarHBondContact O-N 3.47Å; E51-K54 WeakPolarHBondContact OE1-CD 3.44Å; E51-K54 IonicContact OE1-NZ 2.59Å; E51-K54 PolarHBondContact OE1-NZ 3.23Å; E51-K54 WeakPolarHBondContact OE2-CE 3.24Å; E51-K54 IonicContact OE2-NZ 2.75Å; E51-K54 PolarHBondContact OE2-NZ 3.15Å; E51-L55 PolarHBondContact O-N 3.44Å
52I96.4Very high95.1Very high10 Ų1062.2 Ų62.25%0.05128%0.283CS..Hα-helixtrans-64-29.9179.5-158.961.2000112.5F25 L48 K54 L55 Q56 D87 M88 F91F25-I52 HydrophobicContact CD2-CB 4.3Å; F25-I52 HydrophobicContact CD2-CD1 4.28Å; F25-I52 HydrophobicContact CE2-CB 4.03Å; F25-I52 HydrophobicContact CE2-CD1 4.02Å; F25-I52 HydrophobicContact CE2-CG1 4.34Å; F25-I52 HydrophobicContact CZ-CD1 4.35Å; L48-I52 WeakPolarHBondContact O-CB 3.46Å; L48-I52 WeakPolarHBondContact O-CG2 3.48Å; L48-I52 PolarHBondContact O-N 3.44Å; I52-K54 VanDerWaalsContact C-N 3.34Å; I52-L55 HydrophobicContact CD1-CB 4.42Å; I52-L55 HydrophobicContact CD1-CD1 4.14Å; I52-L55 PolarHBondContact O-N 3.21Å; I52-Q56 WeakPolarHBondContact O-CB 3.45Å; I52-Q56 PolarHBondContact O-N 2.92Å; I52-D87 HydrophobicContact CD1-CB 3.87Å; I52-M88 HydrophobicContact CD1-CB 4.36Å; I52-M88 HydrophobicContact CD1-CG 3.73Å; I52-M88 HydrophobicContact CG1-CB 4.49Å; I52-M88 HydrophobicContact CG1-CG 3.85Å; I52-F91 HydrophobicContact CB-CB 4.5Å; I52-F91 HydrophobicContact CB-CG 4.42Å; I52-F91 HydrophobicContact CG1-CB 4.12Å; I52-F91 HydrophobicContact CG1-CG 4.47Å; I52-F91 HydrophobicContact CG2-CB 4.45Å; I52-F91 HydrophobicContact CG2-CD1 3.87Å; I52-F91 HydrophobicContact CG2-CD2 4.31Å; I52-F91 HydrophobicContact CG2-CE1 4.27Å; I52-F91 HydrophobicContact CG2-CG 3.91Å
53K96.6Very high95.4Very high119 Ų11959.2 Ų59.252%0.51727%0.267SS..Hα-helixtrans-70.4-24.6171.9-77.1-179.7-178.6179.60113.4K49 K50 E51 R57K49-K53 WeakPolarHBondContact O-CD 3.28Å; K49-K53 VanDerWaalsContact O-CG 3.27Å; K49-K53 WeakPolarHBondContact O-CG 3.25Å; K50-K53 PolarHBondContact O-N 2.88Å; E51-K53 PolarHBondContact O-N 3.03Å; K53-R57 WeakPolarHBondContact O-CD 3.19Å; K53-R57 WeakPolarHBondContact O-CG 3.4Å
54K96.5Very high95.4Very high106 Ų10658.1 Ų58.146%0.46127%0.271SS..Hα-helixtrans-74.7-49.5169.4-62.8164.5179.5173.20110.1K50 E51 I52 Q56 R57 L58K50-K54 PolarHBondContact O-N 2.92Å; E51-K54 WeakPolarHBondContact O-CA 3.27Å; E51-K54 WeakPolarHBondContact O-CB 3.46Å; E51-K54 PolarHBondContact O-N 3.47Å; E51-K54 WeakPolarHBondContact OE1-CD 3.44Å; E51-K54 IonicContact OE1-NZ 2.59Å; E51-K54 PolarHBondContact OE1-NZ 3.23Å; E51-K54 WeakPolarHBondContact OE2-CE 3.24Å; E51-K54 IonicContact OE2-NZ 2.75Å; E51-K54 PolarHBondContact OE2-NZ 3.15Å; I52-K54 VanDerWaalsContact C-N 3.34Å; K54-Q56 VanDerWaalsContact C-N 3.33Å; K54-Q56 PolarHBondContact O-N 3.11Å; K54-R57 WeakPolarHBondContact O-CB 3.32Å; K54-R57 PolarHBondContact O-N 3.45Å; K54-R57 VanDerWaalsContact O-N 3.09Å; K54-L58 PolarHBondContact O-N 3.09Å; K54-L58 VanDerWaalsContact O-N 3.17Å
55L97.1Very high95.4Very high0 Ų058 Ų580%027%0.269CS..Hα-helixtrans-57.2-44.1178.2-70.5174.6000111.7R22 F25 E51 I52 R57 L58 R59 I84R22-L55 HydrophobicContact CG-CD1 4.28Å; R22-L55 HydrophobicContact CG-CD2 4.03Å; F25-L55 HydrophobicContact CB-CD1 4.09Å; F25-L55 HydrophobicContact CG-CD1 4.44Å; E51-L55 PolarHBondContact O-N 3.44Å; I52-L55 HydrophobicContact CD1-CB 4.42Å; I52-L55 HydrophobicContact CD1-CD1 4.14Å; I52-L55 PolarHBondContact O-N 3.21Å; L55-R57 VanDerWaalsContact C-N 3.3Å; L55-R57 PolarHBondContact O-N 2.92Å; L55-L58 HydrophobicContact CD2-CD1 4.49Å; L55-L58 PolarHBondContact O-N 2.86Å; L55-L58 VanDerWaalsContact O-N 3.09Å; L55-R59 WeakPolarHBondContact O-CB 3.46Å; L55-R59 PolarHBondContact O-N 3.23Å; L55-I84 HydrophobicContact CB-CG1 4.35Å; L55-I84 HydrophobicContact CB-CG2 3.86Å; L55-I84 HydrophobicContact CD2-CG1 4.3Å
56Q96Very high95.4Very high77 Ų7758.4 Ų58.436%0.3627%0.272SS..Hα-helixtrans-55.6-41.3175.5-175179.5-4.500112.7I52 K54 R59 D60 M88I52-Q56 WeakPolarHBondContact O-CB 3.45Å; I52-Q56 PolarHBondContact O-N 2.92Å; K54-Q56 VanDerWaalsContact C-N 3.33Å; K54-Q56 PolarHBondContact O-N 3.11Å; Q56-R59 PolarHBondContact O-N 3.23Å; Q56-D60 PolarHBondContact O-N 3.5Å; Q56-M88 HydrophobicContact CB-CE 4.26Å; Q56-M88 HydrophobicContact CB-SD 4.23Å; Q56-M88 HydrophobicContact CG-CE 3.86Å; Q56-M88 HydrophobicContact CG-SD 4.18Å
57R96.4Very high95.3Very high192 Ų19263 Ų6373%0.72530%0.295SS*.Hα-helixtrans-65.2-41.3176.6-67166.9-178.8179.1-0.3111.9K53 K54 L55 D60 Q61K53-R57 WeakPolarHBondContact O-CD 3.19Å; K53-R57 WeakPolarHBondContact O-CG 3.4Å; K54-R57 WeakPolarHBondContact O-CB 3.32Å; K54-R57 PolarHBondContact O-N 3.45Å; K54-R57 VanDerWaalsContact O-N 3.09Å; L55-R57 VanDerWaalsContact C-N 3.3Å; L55-R57 PolarHBondContact O-N 2.92Å; R57-D60 PolarHBondContact O-N 3.36Å; R57-Q61 PolarHBondContact O-N 3.47Å
58L95.6Very high95Very high28 Ų2862.8 Ų62.815%0.14730%0.298CS..Hα-helixtrans-64.2-44175.5-62.9173.6000110.9N14 R17 V18 K54 L55 D60 Q61 I62N14-L58 WeakPolarHBondContact ND2-CD2 3.3Å; R17-L58 HydrophobicContact CB-CD1 4.03Å; R17-L58 HydrophobicContact CB-CD2 4.5Å; V18-L58 HydrophobicContact CG2-CB 3.9Å; V18-L58 HydrophobicContact CG2-CD1 3.93Å; K54-L58 PolarHBondContact O-N 3.09Å; K54-L58 VanDerWaalsContact O-N 3.17Å; L55-L58 HydrophobicContact CD2-CD1 4.49Å; L55-L58 PolarHBondContact O-N 2.86Å; L55-L58 VanDerWaalsContact O-N 3.09Å; L58-D60 VanDerWaalsContact C-N 3.34Å; L58-D60 PolarHBondContact O-N 3.23Å; L58-Q61 WeakPolarHBondContact O-CB 2.79Å; L58-Q61 PolarHBondContact O-N 2.89Å; L58-I62 WeakPolarHBondContact O-CB 3.49Å; L58-I62 WeakPolarHBondContact O-CG1 3.28Å; L58-I62 PolarHBondContact O-N 3.41Å
59R95.9Very high94.6Very high44 Ų4468.4 Ų68.417%0.16634%0.338CS..Hα-helixtrans-58-41.5174.4170-84.8-164154.518.1112.8L55 Q56 I62 K63 R81 I84 E85L55-R59 WeakPolarHBondContact O-CB 3.46Å; L55-R59 PolarHBondContact O-N 3.23Å; Q56-R59 PolarHBondContact O-N 3.23Å; R59-I62 PolarHBondContact O-N 3.42Å; R59-K63 WeakPolarHBondContact O-CG 3.43Å; R59-K63 PolarHBondContact O-N 2.97Å; R59-R81 HydrophobicContact CG-CG 4.22Å; R59-I84 HydrophobicContact CB-CB 4.06Å; R59-I84 HydrophobicContact CB-CD1 3.71Å; R59-I84 HydrophobicContact CB-CG1 4.5Å; R59-I84 HydrophobicContact CB-CG2 3.65Å; R59-I84 HydrophobicContact CG-CB 4.44Å; R59-I84 HydrophobicContact CG-CG2 4.16Å; R59-E85 HydrophobicContact CG-CG 4.4Å; R59-E85 IonicContact CZ-OE1 2.74Å; R59-E85 IonicContact NE-OE1 3.68Å; R59-E85 PolarHBondContact NE-OE1 3.42Å; R59-E85 IonicContact NH2-OE1 2.86Å; R59-E85 PolarHBondContact NH2-OE1 3.36Å
60D96Very high94.2Very high56 Ų5671.2 Ų71.230%0.29935%0.351SS..Hα-helixtrans-74.4-30.1178.6-74.6-38.8000112.4Q56 R57 L58 K63 T64Q56-D60 PolarHBondContact O-N 3.5Å; R57-D60 PolarHBondContact O-N 3.36Å; L58-D60 VanDerWaalsContact C-N 3.34Å; L58-D60 PolarHBondContact O-N 3.23Å; D60-K63 PolarHBondContact O-N 3.48Å; D60-K63 WeakPolarHBondContact OD1-CD 3.26Å; D60-K63 IonicContact OD1-NZ 3.69Å; D60-K63 PolarHBondContact OD1-NZ 3.36Å; D60-T64 PolarHBondContact O-N 2.98Å
61Q94.2Very high93.7Very high89 Ų8965.7 Ų65.742%0.41633%0.328SS..Hα-helixtrans-64.6-44.9166.2-177.6174.210.400111.8N14 R57 L58 K63 T64 W65N14-Q61 PolarHBondContact ND2-OE1 2.89Å; R57-Q61 PolarHBondContact O-N 3.47Å; L58-Q61 WeakPolarHBondContact O-CB 2.79Å; L58-Q61 PolarHBondContact O-N 2.89Å; Q61-K63 VanDerWaalsContact C-N 3.31Å; Q61-K63 PolarHBondContact O-N 2.97Å; Q61-T64 WeakPolarHBondContact O-CB 3.27Å; Q61-T64 PolarHBondContact O-N 3.49Å; Q61-T64 VanDerWaalsContact O-N 3.17Å; Q61-W65 HydrophobicContact CG-CD2 4.42Å; Q61-W65 HydrophobicContact CG-CE3 4.3Å; Q61-W65 HydrophobicContact CG-CH2 4.04Å; Q61-W65 HydrophobicContact CG-CZ2 4.14Å; Q61-W65 HydrophobicContact CG-CZ3 4.1Å; Q61-W65 VanDerWaalsContact NE2-CH2 3.3Å; Q61-W65 PolarHBondContact O-N 2.91Å
62I95.1Very high93Very high0 Ų073.8 Ų73.80%036%0.363CS..Hα-helixtrans-58.3-41.6176-76.9169.8000111.2N14 V18 L58 R59 T64 W65 I66 L77 A80 R81 I84N14-I62 WeakPolarHBondContact OD1-CD1 3.06Å; N14-I62 WeakPolarHBondContact OD1-CG1 3.14Å; V18-I62 HydrophobicContact CG2-CD1 3.79Å; L58-I62 WeakPolarHBondContact O-CB 3.49Å; L58-I62 WeakPolarHBondContact O-CG1 3.28Å; L58-I62 PolarHBondContact O-N 3.41Å; R59-I62 PolarHBondContact O-N 3.42Å; I62-T64 VanDerWaalsContact C-N 3.34Å; I62-T64 PolarHBondContact O-N 2.85Å; I62-W65 HydrophobicContact CG1-CE3 4.38Å; I62-W65 PolarHBondContact O-N 3.31Å; I62-W65 VanDerWaalsContact O-N 3.15Å; I62-I66 HydrophobicContact CG2-CD1 3.7Å; I62-I66 HydrophobicContact CG2-CG1 4.31Å; I62-I66 WeakPolarHBondContact O-CG1 3.29Å; I62-I66 PolarHBondContact O-N 2.97Å; I62-L77 HydrophobicContact CB-CD2 4.49Å; I62-L77 HydrophobicContact CG1-CD2 4.03Å; I62-L77 HydrophobicContact CG2-CB 4.07Å; I62-L77 HydrophobicContact CG2-CD2 4.13Å; I62-L77 VanDerWaalsContact CG2-O 3.23Å; I62-L77 WeakPolarHBondContact CG2-O 3.3Å; I62-A80 HydrophobicContact CD1-CB 4.06Å; I62-R81 HydrophobicContact CG2-CB 3.99Å; I62-I84 HydrophobicContact CD1-CD1 4.46Å
63K94.6Very high92.5Very high77 Ų7777.4 Ų77.434%0.33538%0.382SS..Hα-helixtrans-57.5-42.6174.9-81.216654.8-163.40112.7R59 D60 Q61 W65 I66 T67R59-K63 WeakPolarHBondContact O-CG 3.43Å; R59-K63 PolarHBondContact O-N 2.97Å; D60-K63 PolarHBondContact O-N 3.48Å; D60-K63 WeakPolarHBondContact OD1-CD 3.26Å; D60-K63 IonicContact OD1-NZ 3.69Å; D60-K63 PolarHBondContact OD1-NZ 3.36Å; Q61-K63 VanDerWaalsContact C-N 3.31Å; Q61-K63 PolarHBondContact O-N 2.97Å; K63-W65 VanDerWaalsContact C-N 3.32Å; K63-W65 PolarHBondContact O-N 3.26Å; K63-I66 PolarHBondContact O-N 2.93Å; K63-T67 PolarHBondContact O-N 3.3Å; K63-T67 VanDerWaalsContact O-N 3.13Å; K63-T67 PolarHBondContact O-OG1 2.74Å; K63-T67 VanDerWaalsContact O-OG1 3.11Å
64T93.7Very high92.2Very high98 Ų9874.7 Ų74.760%0.60137%0.371SS*.Hα-helixtrans-60.3-41.7175.6-60.70000111.9D60 Q61 I62 T67 A68D60-T64 PolarHBondContact O-N 2.98Å; Q61-T64 WeakPolarHBondContact O-CB 3.27Å; Q61-T64 PolarHBondContact O-N 3.49Å; Q61-T64 VanDerWaalsContact O-N 3.17Å; I62-T64 VanDerWaalsContact C-N 3.34Å; I62-T64 PolarHBondContact O-N 2.85Å; T64-T67 PolarHBondContact O-N 2.98Å; T64-A68 PolarHBondContact O-N 2.97Å
65W93.7Very high92Very high31 Ų3179.2 Ų79.212%0.11739%0.385CS..Hα-helixtrans-71.3-30.6176.5-68-35.4000114.2D10 I11 N14 Q61 I62 K63 T67 A68 V71 L77D10-W65 HydrophobicContact CB-CZ2 4.44Å; D10-W65 WeakPolarHBondContact O-CH2 3.42Å; I11-W65 HydrophobicContact CB-CZ3 4.43Å; I11-W65 HydrophobicContact CD1-CD2 4.48Å; I11-W65 HydrophobicContact CG1-CD2 3.81Å; I11-W65 HydrophobicContact CG1-CE3 3.71Å; I11-W65 HydrophobicContact CG1-CG 4.37Å; I11-W65 HydrophobicContact CG1-CH2 4.1Å; I11-W65 HydrophobicContact CG1-CZ2 4.21Å; I11-W65 HydrophobicContact CG1-CZ3 3.87Å; N14-W65 HydrophobicContact CB-CH2 3.66Å; N14-W65 HydrophobicContact CB-CZ3 3.52Å; Q61-W65 HydrophobicContact CG-CD2 4.42Å; Q61-W65 HydrophobicContact CG-CE3 4.3Å; Q61-W65 HydrophobicContact CG-CH2 4.04Å; Q61-W65 HydrophobicContact CG-CZ2 4.14Å; Q61-W65 HydrophobicContact CG-CZ3 4.1Å; Q61-W65 VanDerWaalsContact NE2-CH2 3.3Å; Q61-W65 PolarHBondContact O-N 2.91Å; I62-W65 HydrophobicContact CG1-CE3 4.38Å; I62-W65 PolarHBondContact O-N 3.31Å; I62-W65 VanDerWaalsContact O-N 3.15Å; K63-W65 VanDerWaalsContact C-N 3.32Å; K63-W65 PolarHBondContact O-N 3.26Å; W65-T67 VanDerWaalsContact C-N 3.3Å; W65-A68 PolarHBondContact O-N 2.77Å; W65-V71 HydrophobicContact CB-CG2 4.33Å; W65-L77 HydrophobicContact CB-CD1 3.84Å; W65-L77 HydrophobicContact CE3-CD2 4.06Å
66I91.4Very high91.8Very high33 Ų3381.9 Ų81.917%0.16940%0.402CS..Hα-helixtrans-64.4-37.2171.6-68.6164000110.5I62 K63 K74 L77 L78 R81I62-I66 HydrophobicContact CG2-CD1 3.7Å; I62-I66 HydrophobicContact CG2-CG1 4.31Å; I62-I66 WeakPolarHBondContact O-CG1 3.29Å; I62-I66 PolarHBondContact O-N 2.97Å; K63-I66 PolarHBondContact O-N 2.93Å; I66-K74 WeakPolarHBondContact O-CD 3.36Å; I66-K74 WeakPolarHBondContact O-CE 3.42Å; I66-K74 PolarHBondContact O-NZ 2.94Å; I66-L77 HydrophobicContact CD1-CB 4.18Å; I66-L77 HydrophobicContact CG1-CB 3.74Å; I66-L77 HydrophobicContact CG1-CD1 4.35Å; I66-L78 HydrophobicContact CD1-CD2 4.07Å; I66-L78 HydrophobicContact CD1-CG 4.39Å; I66-L78 HydrophobicContact CG2-CD2 4.18Å; I66-R81 HydrophobicContact CD1-CB 4.28Å
67T91.1Very high91.7Very high122 Ų12278.2 Ų78.275%0.74839%0.385SS*.Hα-helixtrans-74.6-31.4176.5-46.40000112.7K63 T64 W65K63-T67 PolarHBondContact O-N 3.3Å; K63-T67 VanDerWaalsContact O-N 3.13Å; K63-T67 PolarHBondContact O-OG1 2.74Å; K63-T67 VanDerWaalsContact O-OG1 3.11Å; T64-T67 PolarHBondContact O-N 2.98Å; W65-T67 VanDerWaalsContact C-N 3.3Å
68A89.5Confident91.5Very high29 Ų2973.1 Ų73.124%0.2437%0.372CS..  trans-60.2141.7-179.200000113.4T64 W65 V71 K74T64-A68 PolarHBondContact O-N 2.97Å; W65-A68 PolarHBondContact O-N 2.77Å; A68-V71 HydrophobicContact CB-CG2 4.47Å; A68-K74 VanDerWaalsContact O-CE 3.27Å; A68-K74 WeakPolarHBondContact O-CE 3.31Å; A68-K74 PolarHBondContact O-NZ 3.13Å
69S87.8Confident91.5Very high118 Ų11875.5 Ų75.583%0.82538%0.382SS*.SBendtrans-80.3-18.8178.551.60000113.8V71S69-V71 VanDerWaalsContact C-N 3.34Å; S69-V71 PolarHBondContact O-N 3.38Å
70E87.2Confident91.5Very high116 Ų11673.8 Ų73.854%0.54238%0.377SS..SBendtrans-72.3-25.7-175.9-63.9173.8-133.600113.9K4 L7 K72K4-E70 PolarHBondContact NZ-O 3.05Å; L7-E70 HydrophobicContact CD2-CB 3.87Å; E70-K72 PolarHBondContact O-N 3.27Å
71V86.1Confident91.4Very high10 Ų1075.3 Ų75.36%0.06138%0.379CS..  trans-82113-175.4-177.90000109.9L7 I11 W65 A68 S69 D73 K74 L77L7-V71 HydrophobicContact CD2-CG2 4.13Å; I11-V71 HydrophobicContact CD1-CG1 4.19Å; I11-V71 HydrophobicContact CD1-CG2 3.87Å; W65-V71 HydrophobicContact CB-CG2 4.33Å; A68-V71 HydrophobicContact CB-CG2 4.47Å; S69-V71 VanDerWaalsContact C-N 3.34Å; S69-V71 PolarHBondContact O-N 3.38Å; V71-D73 VanDerWaalsContact CG1-O 3.29Å; V71-D73 WeakPolarHBondContact CG1-O 3.4Å; V71-K74 HydrophobicContact CB-CG 4.5Å; V71-K74 HydrophobicContact CG1-CG 4.09Å; V71-K74 WeakPolarHBondContact O-CE 3.22Å; V71-L77 HydrophobicContact CG1-CD1 3.85Å
72K82Confident91.5Very high195 Ų19575.7 Ų75.785%0.84838%0.379SS*.SBendtrans-75.7-45.8-176.8-89.8-167.7169.7-167.20113.3E70E70-K72 PolarHBondContact O-N 3.27Å
73D85.9Confident91.6Very high85 Ų8577.9 Ų77.946%0.45539%0.389SS..  trans-106.3118.3174.7-169.73.8000110.3V71 R75V71-D73 VanDerWaalsContact CG1-O 3.29Å; V71-D73 WeakPolarHBondContact CG1-O 3.4Å; D73-R75 VanDerWaalsContact OD1-CB 3.23Å; D73-R75 WeakPolarHBondContact OD1-CB 3.48Å; D73-R75 VanDerWaalsContact OD1-CG 3.22Å; D73-R75 WeakPolarHBondContact OD1-CG 3.32Å; D73-R75 PolarHBondContact OD1-N 3.44Å
74K91.5Very high91.6Very high63 Ų6374.2 Ų74.227%0.27437%0.373SS..  trans-104.2-4.8179.3-61.8-177.3176.6-171.80112.3I66 A68 V71 L77 L78I66-K74 WeakPolarHBondContact O-CD 3.36Å; I66-K74 WeakPolarHBondContact O-CE 3.42Å; I66-K74 PolarHBondContact O-NZ 2.94Å; A68-K74 VanDerWaalsContact O-CE 3.27Å; A68-K74 WeakPolarHBondContact O-CE 3.31Å; A68-K74 PolarHBondContact O-NZ 3.13Å; V71-K74 HydrophobicContact CB-CG 4.5Å; V71-K74 HydrophobicContact CG1-CG 4.09Å; V71-K74 WeakPolarHBondContact O-CE 3.22Å; K74-L77 PolarHBondContact O-N 3.49Å; K74-L78 HydrophobicContact CB-CD1 4.34Å; K74-L78 WeakPolarHBondContact O-CB 3.5Å; K74-L78 VanDerWaalsContact O-CG 3.25Å; K74-L78 WeakPolarHBondContact O-CG 2.98Å; K74-L78 PolarHBondContact O-N 3.3Å
75R92.2Very high91.8Very high201 Ų20171.9 Ų71.976%0.75836%0.356SS*.Hα-helixtrans-58.2-53.2180-63.8168.7178.7-177.4-0.4113.2D73 L77 L78 E79D73-R75 VanDerWaalsContact OD1-CB 3.23Å; D73-R75 WeakPolarHBondContact OD1-CB 3.48Å; D73-R75 VanDerWaalsContact OD1-CG 3.22Å; D73-R75 WeakPolarHBondContact OD1-CG 3.32Å; D73-R75 PolarHBondContact OD1-N 3.44Å; R75-L77 VanDerWaalsContact C-N 3.28Å; R75-L77 PolarHBondContact O-N 3.33Å; R75-L78 PolarHBondContact O-N 3.01Å; R75-E79 PolarHBondContact O-N 3.47Å
76P92.8Very high91.9Very high56 Ų5674.9 Ų74.936%0.36437%0.371SS..Hα-helixtrans-66.5-31-179.926.5-35000112.5L15 A80L15-P76 HydrophobicContact CD1-CB 4Å; L15-P76 HydrophobicContact CD1-CG 4.42Å; P76-A80 WeakPolarHBondContact O-CB 3.39Å; P76-A80 PolarHBondContact O-N 3.17Å
77L93.6Very high92Very high0 Ų073.5 Ų73.50%036%0.364CS..Hα-helixtrans-68.2-40.8174.1-68.2177000112.3I11 L15 I62 W65 I66 V71 K74 R75 R81I11-L77 HydrophobicContact CG2-CD2 3.99Å; L15-L77 HydrophobicContact CD2-CD2 4.38Å; I62-L77 HydrophobicContact CB-CD2 4.49Å; I62-L77 HydrophobicContact CG1-CD2 4.03Å; I62-L77 HydrophobicContact CG2-CB 4.07Å; I62-L77 HydrophobicContact CG2-CD2 4.13Å; I62-L77 VanDerWaalsContact CG2-O 3.23Å; I62-L77 WeakPolarHBondContact CG2-O 3.3Å; W65-L77 HydrophobicContact CB-CD1 3.84Å; W65-L77 HydrophobicContact CE3-CD2 4.06Å; I66-L77 HydrophobicContact CD1-CB 4.18Å; I66-L77 HydrophobicContact CG1-CB 3.74Å; I66-L77 HydrophobicContact CG1-CD1 4.35Å; V71-L77 HydrophobicContact CG1-CD1 3.85Å; K74-L77 PolarHBondContact O-N 3.49Å; R75-L77 VanDerWaalsContact C-N 3.28Å; R75-L77 PolarHBondContact O-N 3.33Å; L77-R81 WeakPolarHBondContact O-CB 3.09Å; L77-R81 PolarHBondContact O-N 3.48Å
78L92.6Very high92.2Very high84 Ų8469.5 Ų69.544%0.4434%0.337SS..Hα-helixtrans-66.3-42.7177.6-76.5164.8000111.7I66 K74 R75 R81 K82I66-L78 HydrophobicContact CD1-CD2 4.07Å; I66-L78 HydrophobicContact CD1-CG 4.39Å; I66-L78 HydrophobicContact CG2-CD2 4.18Å; K74-L78 HydrophobicContact CB-CD1 4.34Å; K74-L78 WeakPolarHBondContact O-CB 3.5Å; K74-L78 VanDerWaalsContact O-CG 3.25Å; K74-L78 WeakPolarHBondContact O-CG 2.98Å; K74-L78 PolarHBondContact O-N 3.3Å; R75-L78 PolarHBondContact O-N 3.01Å; L78-R81 PolarHBondContact O-N 2.87Å; L78-K82 WeakPolarHBondContact O-CB 3.2Å; L78-K82 PolarHBondContact O-N 3.48Å
79E95Very high92.5Very high78 Ų7872.8 Ų72.836%0.36435%0.348SS..Hα-helixtrans-69.1-48.4177.6-164.757.8-143.200111R75 R81 K82 E83R75-E79 PolarHBondContact O-N 3.47Å; E79-R81 PolarHBondContact O-N 3.38Å; E79-K82 WeakPolarHBondContact O-CA 3.4Å; E79-K82 WeakPolarHBondContact O-CB 3.49Å; E79-K82 PolarHBondContact O-N 2.89Å; E79-K82 IonicContact OE1-NZ 2.69Å; E79-K82 PolarHBondContact OE1-NZ 3.48Å; E79-K82 IonicContact OE2-NZ 3.77Å; E79-K82 PolarHBondContact OE2-NZ 2.87Å; E79-E83 HydrophobicContact CG-CG 4.49Å; E79-E83 WeakPolarHBondContact O-CB 3.33Å; E79-E83 WeakPolarHBondContact O-CG 3.49Å; E79-E83 PolarHBondContact O-N 2.87Å
80A95.1Very high92.8Very high8 Ų872.3 Ų72.37%0.06633%0.328CS..Hα-helixtrans-58.6-33.6175.200000113.3L15 V18 I62 P76 I84L15-A80 HydrophobicContact CD2-CB 3.51Å; V18-A80 HydrophobicContact CG1-CB 4.35Å; I62-A80 HydrophobicContact CD1-CB 4.06Å; P76-A80 WeakPolarHBondContact O-CB 3.39Å; P76-A80 PolarHBondContact O-N 3.17Å; A80-I84 WeakPolarHBondContact O-CD1 3.49Å; A80-I84 VanDerWaalsContact O-CG1 3.27Å; A80-I84 WeakPolarHBondContact O-CG1 3.49Å; A80-I84 PolarHBondContact O-N 2.86Å
81R94.8Very high93.2Very high88 Ų8867.6 Ų67.633%0.33231%0.306SS..Hα-helixtrans-64.3-50170.5169.6176.2173.2-118.4-22.4111.7R59 I62 I66 L77 L78 E79 E83 I84 E85R59-R81 HydrophobicContact CG-CG 4.22Å; I62-R81 HydrophobicContact CG2-CB 3.99Å; I66-R81 HydrophobicContact CD1-CB 4.28Å; L77-R81 WeakPolarHBondContact O-CB 3.09Å; L77-R81 PolarHBondContact O-N 3.48Å; L78-R81 PolarHBondContact O-N 2.87Å; E79-R81 PolarHBondContact O-N 3.38Å; R81-E83 VanDerWaalsContact C-N 3.33Å; R81-I84 PolarHBondContact O-N 3.09Å; R81-E85 IonicContact CZ-OE1 2.94Å; R81-E85 IonicContact CZ-OE2 2.79Å; R81-E85 VanDerWaalsContact CZ-OE2 3.3Å; R81-E85 IonicContact NE-OE1 3.46Å; R81-E85 PolarHBondContact NE-OE1 2.66Å; R81-E85 IonicContact NE-OE2 2.73Å; R81-E85 PolarHBondContact NE-OE2 3.33Å; R81-E85 VanDerWaalsContact NH2-CD 3.28Å; R81-E85 IonicContact NH2-OE1 2.73Å; R81-E85 PolarHBondContact NH2-OE1 3.19Å; R81-E85 IonicContact NH2-OE2 3.17Å; R81-E85 PolarHBondContact NH2-OE2 3.04Å; R81-E85 WeakPolarHBondContact O-CG 3.47Å; R81-E85 PolarHBondContact O-N 3.28Å
82K96Very high93.6Very high97 Ų9772.2 Ų72.242%0.42233%0.325SS..Hα-helixtrans-61.4-42.4-178.2164.6180162.4-120.40111.1L78 E79 E85 Q86L78-K82 WeakPolarHBondContact O-CB 3.2Å; L78-K82 PolarHBondContact O-N 3.48Å; E79-K82 WeakPolarHBondContact O-CA 3.4Å; E79-K82 WeakPolarHBondContact O-CB 3.49Å; E79-K82 PolarHBondContact O-N 2.89Å; E79-K82 IonicContact OE1-NZ 2.69Å; E79-K82 PolarHBondContact OE1-NZ 3.48Å; E79-K82 IonicContact OE2-NZ 3.77Å; E79-K82 PolarHBondContact OE2-NZ 2.87Å; K82-E85 PolarHBondContact O-N 3.42Å; K82-Q86 WeakPolarHBondContact O-CG 3.16Å; K82-Q86 PolarHBondContact O-N 3.42Å
83E96.3Very high94Very high46 Ų4667.1 Ų67.122%0.21531%0.31CS..Hα-helixtrans-58.5-50.1174.2-78.5-170.1178.500112.8R22 E79 R81 E85 Q86 D87R22-E83 WeakPolarHBondContact CD-OE2 3.25Å; R22-E83 IonicContact CZ-OE2 3.58Å; R22-E83 IonicContact NE-OE2 2.61Å; R22-E83 IonicContact NH1-OE1 3.17Å; R22-E83 IonicContact NH1-OE2 2.74Å; R22-E83 PolarHBondContact NH1-OE2 3.27Å; E79-E83 HydrophobicContact CG-CG 4.49Å; E79-E83 WeakPolarHBondContact O-CB 3.33Å; E79-E83 WeakPolarHBondContact O-CG 3.49Å; E79-E83 PolarHBondContact O-N 2.87Å; R81-E83 VanDerWaalsContact C-N 3.33Å; E83-E85 VanDerWaalsContact C-N 3.26Å; E83-E85 PolarHBondContact O-N 3.37Å; E83-Q86 WeakPolarHBondContact O-CB 3.23Å; E83-Q86 PolarHBondContact O-N 2.98Å; E83-Q86 VanDerWaalsContact O-N 3.16Å; E83-D87 PolarHBondContact O-N 3.34Å; E83-D87 VanDerWaalsContact O-N 3.14Å
84I96.4Very high94.1Very high0 Ų063.7 Ų63.70%029%0.291CS..Hα-helixtrans-62.2-37.4176-66.1163.5000111V18 L55 R59 I62 A80 R81 Q86 D87 M88V18-I84 HydrophobicContact CB-CD1 4.39Å; V18-I84 HydrophobicContact CG1-CD1 3.69Å; V18-I84 HydrophobicContact CG1-CG1 3.82Å; V18-I84 HydrophobicContact CG2-CD1 3.79Å; L55-I84 HydrophobicContact CB-CG1 4.35Å; L55-I84 HydrophobicContact CB-CG2 3.86Å; L55-I84 HydrophobicContact CD2-CG1 4.3Å; R59-I84 HydrophobicContact CB-CB 4.06Å; R59-I84 HydrophobicContact CB-CD1 3.71Å; R59-I84 HydrophobicContact CB-CG1 4.5Å; R59-I84 HydrophobicContact CB-CG2 3.65Å; R59-I84 HydrophobicContact CG-CB 4.44Å; R59-I84 HydrophobicContact CG-CG2 4.16Å; I62-I84 HydrophobicContact CD1-CD1 4.46Å; A80-I84 WeakPolarHBondContact O-CD1 3.49Å; A80-I84 VanDerWaalsContact O-CG1 3.27Å; A80-I84 WeakPolarHBondContact O-CG1 3.49Å; A80-I84 PolarHBondContact O-N 2.86Å; R81-I84 PolarHBondContact O-N 3.09Å; I84-Q86 VanDerWaalsContact C-N 3.3Å; I84-Q86 PolarHBondContact O-N 2.58Å; I84-D87 PolarHBondContact O-N 3.49Å; I84-M88 HydrophobicContact CG2-CG 4.28Å; I84-M88 HydrophobicContact CG2-SD 4.24Å; I84-M88 WeakPolarHBondContact O-CB 3.41Å; I84-M88 VanDerWaalsContact O-CG 3.28Å; I84-M88 WeakPolarHBondContact O-CG 3.44Å; I84-M88 PolarHBondContact O-N 2.67Å
85E96.1Very high94.1Very high49 Ų4962.8 Ų62.823%0.22929%0.288CS..Hα-helixtrans-68.7-26.9178.3-73.1175.2175.100112.7R59 R81 K82 E83 E89R59-E85 HydrophobicContact CG-CG 4.4Å; R59-E85 IonicContact CZ-OE1 2.74Å; R59-E85 IonicContact NE-OE1 3.68Å; R59-E85 PolarHBondContact NE-OE1 3.42Å; R59-E85 IonicContact NH2-OE1 2.86Å; R59-E85 PolarHBondContact NH2-OE1 3.36Å; R81-E85 IonicContact CZ-OE1 2.94Å; R81-E85 IonicContact CZ-OE2 2.79Å; R81-E85 VanDerWaalsContact CZ-OE2 3.3Å; R81-E85 IonicContact NE-OE1 3.46Å; R81-E85 PolarHBondContact NE-OE1 2.66Å; R81-E85 IonicContact NE-OE2 2.73Å; R81-E85 PolarHBondContact NE-OE2 3.33Å; R81-E85 VanDerWaalsContact NH2-CD 3.28Å; R81-E85 IonicContact NH2-OE1 2.73Å; R81-E85 PolarHBondContact NH2-OE1 3.19Å; R81-E85 IonicContact NH2-OE2 3.17Å; R81-E85 PolarHBondContact NH2-OE2 3.04Å; R81-E85 WeakPolarHBondContact O-CG 3.47Å; R81-E85 PolarHBondContact O-N 3.28Å; K82-E85 PolarHBondContact O-N 3.42Å; E83-E85 VanDerWaalsContact C-N 3.26Å; E83-E85 PolarHBondContact O-N 3.37Å; E85-E89 PolarHBondContact O-N 3.2Å
86Q96.1Very high93.9Very high95 Ų9560.4 Ų60.444%0.44428%0.283SS..Hα-helixtrans-69.2-46.2168.6-69.9174.1-2.400112K82 E83 I84 M88 E89 R90K82-Q86 WeakPolarHBondContact O-CG 3.16Å; K82-Q86 PolarHBondContact O-N 3.42Å; E83-Q86 WeakPolarHBondContact O-CB 3.23Å; E83-Q86 PolarHBondContact O-N 2.98Å; E83-Q86 VanDerWaalsContact O-N 3.16Å; I84-Q86 VanDerWaalsContact C-N 3.3Å; I84-Q86 PolarHBondContact O-N 2.58Å; Q86-M88 VanDerWaalsContact C-N 3.27Å; Q86-M88 PolarHBondContact O-N 2.91Å; Q86-E89 PolarHBondContact O-N 3.41Å; Q86-E89 VanDerWaalsContact O-N 3.12Å; Q86-R90 PolarHBondContact O-N 2.92Å
87D95.1Very high93.5Very high3 Ų361.8 Ų61.82%0.01629%0.285CS..Hα-helixtrans-63.2-35.5177.9-62-11.1000111.5R22 F25 I52 E83 I84 E89 R90 F91R22-D87 WeakPolarHBondContact CG-OD2 3.45Å; R22-D87 IonicContact CZ-OD1 3.33Å; R22-D87 IonicContact CZ-OD2 3.3Å; R22-D87 IonicContact NE-OD1 2.83Å; R22-D87 IonicContact NE-OD2 3.36Å; R22-D87 PolarHBondContact NE-OD2 2.91Å; R22-D87 IonicContact NH2-OD1 2.96Å; R22-D87 PolarHBondContact NH2-OD1 2.72Å; R22-D87 IonicContact NH2-OD2 2.73Å; R22-D87 PolarHBondContact NH2-OD2 3.1Å; F25-D87 HydrophobicContact CD1-CB 3.92Å; F25-D87 HydrophobicContact CE1-CB 3.77Å; F25-D87 HydrophobicContact CZ-CB 4.38Å; F25-D87 WeakPolarHBondContact CZ-O 3.17Å; I52-D87 HydrophobicContact CD1-CB 3.87Å; E83-D87 PolarHBondContact O-N 3.34Å; E83-D87 VanDerWaalsContact O-N 3.14Å; I84-D87 PolarHBondContact O-N 3.49Å; D87-E89 VanDerWaalsContact C-N 3.31Å; D87-E89 PolarHBondContact O-N 3.29Å; D87-R90 PolarHBondContact O-N 2.94Å; D87-F91 PolarHBondContact O-N 2.81Å
88M95.2Very high92.9Very high38 Ų3863.6 Ų63.619%0.18730%0.296CS..Hα-helixtrans-64-35.4174.6-75.3-176.575.200112.1I52 Q56 I84 Q86 K92I52-M88 HydrophobicContact CD1-CB 4.36Å; I52-M88 HydrophobicContact CD1-CG 3.73Å; I52-M88 HydrophobicContact CG1-CB 4.49Å; I52-M88 HydrophobicContact CG1-CG 3.85Å; Q56-M88 HydrophobicContact CB-CE 4.26Å; Q56-M88 HydrophobicContact CB-SD 4.23Å; Q56-M88 HydrophobicContact CG-CE 3.86Å; Q56-M88 HydrophobicContact CG-SD 4.18Å; I84-M88 HydrophobicContact CG2-CG 4.28Å; I84-M88 HydrophobicContact CG2-SD 4.24Å; I84-M88 WeakPolarHBondContact O-CB 3.41Å; I84-M88 VanDerWaalsContact O-CG 3.28Å; I84-M88 WeakPolarHBondContact O-CG 3.44Å; I84-M88 PolarHBondContact O-N 2.67Å; Q86-M88 VanDerWaalsContact C-N 3.27Å; Q86-M88 PolarHBondContact O-N 2.91Å; M88-K92 PolarHBondContact O-N 2.82Å; M88-K92 VanDerWaalsContact O-N 3.14Å
89E95.7Very high92.4Very high98 Ų9863.8 Ų63.846%0.45829%0.293SS..Hα-helixtrans-74.5-39.8176.2-153.564-131.800111.8E85 Q86 D87 F91 K92 V93E85-E89 PolarHBondContact O-N 3.2Å; Q86-E89 PolarHBondContact O-N 3.41Å; Q86-E89 VanDerWaalsContact O-N 3.12Å; D87-E89 VanDerWaalsContact C-N 3.31Å; D87-E89 PolarHBondContact O-N 3.29Å; E89-F91 VanDerWaalsContact C-N 3.3Å; E89-F91 PolarHBondContact O-N 2.89Å; E89-K92 WeakPolarHBondContact O-CB 3.4Å; E89-K92 PolarHBondContact O-N 3.13Å; E89-K92 VanDerWaalsContact O-N 3.1Å; E89-K92 WeakPolarHBondContact OE1-CE 3.37Å; E89-K92 IonicContact OE1-NZ 2.61Å; E89-K92 PolarHBondContact OE1-NZ 2.9Å; E89-K92 WeakPolarHBondContact OE2-CE 3.37Å; E89-K92 IonicContact OE2-NZ 3.61Å; E89-K92 PolarHBondContact OE2-NZ 3.18Å; E89-V93 PolarHBondContact O-N 3.41Å; E89-V93 VanDerWaalsContact O-N 3.08Å
90R93.2Very high91.2Very high109 Ų10964.3 Ų64.341%0.41130%0.302SS..Hα-helixtrans-55.1-46.9170.9-69.4-179.5177.6-167.52.3111.1F25 Q86 D87 K92 V93 I94F25-R90 HydrophobicContact CE1-CB 4.45Å; Q86-R90 PolarHBondContact O-N 2.92Å; D87-R90 PolarHBondContact O-N 2.94Å; R90-K92 VanDerWaalsContact C-N 3.35Å; R90-K92 PolarHBondContact O-N 2.83Å; R90-V93 PolarHBondContact O-N 2.73Å; R90-I94 WeakPolarHBondContact O-CD1 3.4Å; R90-I94 WeakPolarHBondContact O-CG1 3.32Å; R90-I94 PolarHBondContact O-N 3.1Å
91F95.2Very high90Very high17 Ų1770 Ų708%0.07533%0.325CS..Hα-helixtrans-61.3-39.7176.1-176-101000112.7F25 E45 L48 K49 I52 D87 E89 V93 I94 E95F25-F91 HydrophobicContact CE2-CB 4.16Å; F25-F91 HydrophobicContact CE2-CD2 4.39Å; F25-F91 HydrophobicContact CZ-CB 4.02Å; E45-F91 HydrophobicContact CG-CE2 4.41Å; L48-F91 HydrophobicContact CB-CD2 3.82Å; L48-F91 HydrophobicContact CB-CE2 3.77Å; K49-F91 HydrophobicContact CB-CE2 3.97Å; K49-F91 HydrophobicContact CB-CZ 3.61Å; K49-F91 HydrophobicContact CD-CZ 4.24Å; K49-F91 HydrophobicContact CG-CE1 4.27Å; K49-F91 HydrophobicContact CG-CZ 3.73Å; I52-F91 HydrophobicContact CB-CB 4.5Å; I52-F91 HydrophobicContact CB-CG 4.42Å; I52-F91 HydrophobicContact CG1-CB 4.12Å; I52-F91 HydrophobicContact CG1-CG 4.47Å; I52-F91 HydrophobicContact CG2-CB 4.45Å; I52-F91 HydrophobicContact CG2-CD1 3.87Å; I52-F91 HydrophobicContact CG2-CD2 4.31Å; I52-F91 HydrophobicContact CG2-CE1 4.27Å; I52-F91 HydrophobicContact CG2-CG 3.91Å; D87-F91 PolarHBondContact O-N 2.81Å; E89-F91 VanDerWaalsContact C-N 3.3Å; E89-F91 PolarHBondContact O-N 2.89Å; F91-V93 VanDerWaalsContact C-N 3.35Å; F91-V93 PolarHBondContact O-N 3.42Å; F91-I94 PolarHBondContact O-N 3.08Å; F91-E95 HydrophobicContact CE1-CB 4.01Å; F91-E95 HydrophobicContact CE1-CG 4.03Å; F91-E95 HydrophobicContact CZ-CB 4.17Å; F91-E95 HydrophobicContact CZ-CG 4.03Å; F91-E95 WeakPolarHBondContact O-CB 3.41Å; F91-E95 PolarHBondContact O-N 3Å
92K94.3Very high88.4Confident107 Ų10768.2 Ų68.247%0.46533%0.329SS..Hα-helixtrans-61.1-40175.6-78.5-166.1-120.7147.80113.1M88 E89 R90 I94 E95 K96M88-K92 PolarHBondContact O-N 2.82Å; M88-K92 VanDerWaalsContact O-N 3.14Å; E89-K92 WeakPolarHBondContact O-CB 3.4Å; E89-K92 PolarHBondContact O-N 3.13Å; E89-K92 VanDerWaalsContact O-N 3.1Å; E89-K92 WeakPolarHBondContact OE1-CE 3.37Å; E89-K92 IonicContact OE1-NZ 2.61Å; E89-K92 PolarHBondContact OE1-NZ 2.9Å; E89-K92 WeakPolarHBondContact OE2-CE 3.37Å; E89-K92 IonicContact OE2-NZ 3.61Å; E89-K92 PolarHBondContact OE2-NZ 3.18Å; R90-K92 VanDerWaalsContact C-N 3.35Å; R90-K92 PolarHBondContact O-N 2.83Å; K92-I94 VanDerWaalsContact C-N 3.35Å; K92-E95 PolarHBondContact O-N 3.35Å; K92-K96 VanDerWaalsContact O-CB 3.26Å; K92-K96 WeakPolarHBondContact O-CB 3.48Å; K92-K96 PolarHBondContact O-N 3.22Å
93V90.6Very high86.4Confident87 Ų8771.9 Ų71.953%0.52734%0.342SS..Hα-helixtrans-61-47.4178.1174.90000110E89 R90 F91 K96 E97E89-V93 PolarHBondContact O-N 3.41Å; E89-V93 VanDerWaalsContact O-N 3.08Å; R90-V93 PolarHBondContact O-N 2.73Å; F91-V93 VanDerWaalsContact C-N 3.35Å; F91-V93 PolarHBondContact O-N 3.42Å; V93-K96 PolarHBondContact O-N 3.29Å; V93-E97 WeakPolarHBondContact O-CB 3.2Å; V93-E97 PolarHBondContact O-N 2.83Å
94I89.5Confident84.7Confident13 Ų1373.5 Ų73.57%0.06736%0.358CS..Hα-helixtrans-64.2-45178.4-63.2158.8000111.6L29 F32 L48 R90 F91 K92 K96 E97 T98L29-I94 HydrophobicContact CD1-CD1 3.33Å; F32-I94 HydrophobicContact CD1-CG2 4.12Å; F32-I94 HydrophobicContact CE1-CG1 4.48Å; F32-I94 HydrophobicContact CE1-CG2 3.52Å; F32-I94 HydrophobicContact CE2-CG2 4.13Å; F32-I94 HydrophobicContact CZ-CG2 3.52Å; L48-I94 HydrophobicContact CD1-CD1 4.3Å; R90-I94 WeakPolarHBondContact O-CD1 3.4Å; R90-I94 WeakPolarHBondContact O-CG1 3.32Å; R90-I94 PolarHBondContact O-N 3.1Å; F91-I94 PolarHBondContact O-N 3.08Å; K92-I94 VanDerWaalsContact C-N 3.35Å; I94-K96 VanDerWaalsContact C-N 3.3Å; I94-K96 PolarHBondContact O-N 3.39Å; I94-E97 PolarHBondContact O-N 2.92Å; I94-T98 WeakPolarHBondContact O-CB 3.25Å; I94-T98 PolarHBondContact O-N 3.4Å; I94-T98 PolarHBondContact O-OG1 3.16Å
95E90.6Very high82.8Confident44 Ų4480.1 Ų80.121%0.20639%0.387CS..Hα-helixtrans-66.1-34.9179.6-150.6-154.3-160.800111.3K49 F91 K92 K99K49-E95 WeakPolarHBondContact CE-OE1 3.45Å; K49-E95 IonicContact NZ-OE1 3.25Å; K49-E95 PolarHBondContact NZ-OE1 3.17Å; F91-E95 HydrophobicContact CE1-CB 4.01Å; F91-E95 HydrophobicContact CE1-CG 4.03Å; F91-E95 HydrophobicContact CZ-CB 4.17Å; F91-E95 HydrophobicContact CZ-CG 4.03Å; F91-E95 WeakPolarHBondContact O-CB 3.41Å; F91-E95 PolarHBondContact O-N 3Å; K92-E95 PolarHBondContact O-N 3.35Å; E95-K99 VanDerWaalsContact CD-CE 3.49Å; E95-K99 HydrophobicContact CG-CD 4.37Å; E95-K99 VanDerWaalsContact O-CB 3.32Å; E95-K99 WeakPolarHBondContact O-CB 3.29Å; E95-K99 WeakPolarHBondContact O-CD 3.36Å; E95-K99 WeakPolarHBondContact O-CG 3.42Å; E95-K99 PolarHBondContact O-N 2.7Å; E95-K99 WeakPolarHBondContact OE1-CE 3.41Å; E95-K99 IonicContact OE1-NZ 2.94Å; E95-K99 PolarHBondContact OE1-NZ 2.66Å; E95-K99 IonicContact OE2-NZ 2.7Å; E95-K99 PolarHBondContact OE2-NZ 3.26Å
96K88.3Confident80.9Confident152 Ų15283.6 Ų83.666%0.66140%0.403SS*.Hα-helixtrans-67.8-51.3173-176.4-176.2177.7-173.30111.1K92 V93 I94 T98 K99 T100K92-K96 VanDerWaalsContact O-CB 3.26Å; K92-K96 WeakPolarHBondContact O-CB 3.48Å; K92-K96 PolarHBondContact O-N 3.22Å; V93-K96 PolarHBondContact O-N 3.29Å; I94-K96 VanDerWaalsContact C-N 3.3Å; I94-K96 PolarHBondContact O-N 3.39Å; K96-T98 PolarHBondContact O-N 3.03Å; K96-K99 PolarHBondContact O-N 3.47Å; K96-T100 WeakPolarHBondContact O-CB 3.12Å; K96-T100 PolarHBondContact O-N 2.9Å; K96-T100 PolarHBondContact O-OG1 3.41Å
97E84.1Confident78.9Confident84 Ų8480.7 Ų80.739%0.39340%0.398SS..Hα-helixtrans-59.1-46.8-178.8-171.2-170.3141.600111.4V93 I94 T100 K101V93-E97 WeakPolarHBondContact O-CB 3.2Å; V93-E97 PolarHBondContact O-N 2.83Å; I94-E97 PolarHBondContact O-N 2.92Å; E97-T100 PolarHBondContact O-N 2.66Å; E97-K101 HydrophobicContact CG-CD 4.07Å; E97-K101 WeakPolarHBondContact O-CB 3.42Å; E97-K101 WeakPolarHBondContact O-CG 3.48Å; E97-K101 PolarHBondContact O-N 3.16Å; E97-K101 WeakPolarHBondContact OE1-CE 3.11Å; E97-K101 IonicContact OE1-NZ 2.85Å; E97-K101 PolarHBondContact OE1-NZ 3.35Å
98T81.4Confident76.8Confident38 Ų3886.3 Ų86.323%0.23343%0.428CS..Hα-helixtrans-66.6-43-177.3-49.40000111.2I94 K96 K101 A102I94-T98 WeakPolarHBondContact O-CB 3.25Å; I94-T98 PolarHBondContact O-N 3.4Å; I94-T98 PolarHBondContact O-OG1 3.16Å; K96-T98 PolarHBondContact O-N 3.03Å; T98-K101 PolarHBondContact O-N 2.99Å; T98-A102 WeakPolarHBondContact O-CB 3.5Å; T98-A102 PolarHBondContact O-N 2.98Å
99K82Confident74.8Confident89 Ų8989 Ų8939%0.38744%0.443SS..Hα-helixtrans-62.9-46.1173.6-73.3171.3-176.6170.20112.4E95 K96 K101 A102 Y103E95-K99 VanDerWaalsContact CD-CE 3.49Å; E95-K99 HydrophobicContact CG-CD 4.37Å; E95-K99 VanDerWaalsContact O-CB 3.32Å; E95-K99 WeakPolarHBondContact O-CB 3.29Å; E95-K99 WeakPolarHBondContact O-CD 3.36Å; E95-K99 WeakPolarHBondContact O-CG 3.42Å; E95-K99 PolarHBondContact O-N 2.7Å; E95-K99 WeakPolarHBondContact OE1-CE 3.41Å; E95-K99 IonicContact OE1-NZ 2.94Å; E95-K99 PolarHBondContact OE1-NZ 2.66Å; E95-K99 IonicContact OE2-NZ 2.7Å; E95-K99 PolarHBondContact OE2-NZ 3.26Å; K96-K99 PolarHBondContact O-N 3.47Å; K99-K101 VanDerWaalsContact C-N 3.33Å; K99-K101 PolarHBondContact O-N 3.11Å; K99-A102 WeakPolarHBondContact O-CB 3.28Å; K99-A102 PolarHBondContact O-N 3.25Å; K99-Y103 WeakPolarHBondContact O-CD2 3.47Å; K99-Y103 PolarHBondContact O-N 2.61Å
100T69.7Low72.8Confident88 Ų8886.3 Ų86.354%0.5444%0.435SS..Hα-helixtrans-62.9-39.3178-64.60000111.7K96 E97 S104K96-T100 WeakPolarHBondContact O-CB 3.12Å; K96-T100 PolarHBondContact O-N 2.9Å; K96-T100 PolarHBondContact O-OG1 3.41Å; E97-T100 PolarHBondContact O-N 2.66Å; T100-S104 WeakPolarHBondContact O-CB 3.33Å; T100-S104 PolarHBondContact O-N 3.49Å; T100-S104 VanDerWaalsContact O-N 3.12Å
101K70.2Confident70.9Confident127 Ų12786.2 Ų86.255%0.55244%0.441SS*.Hα-helixtrans-68-35.4175.1-75.4179.5175.3177.90113E97 T98 K99 S104 K105E97-K101 HydrophobicContact CG-CD 4.07Å; E97-K101 WeakPolarHBondContact O-CB 3.42Å; E97-K101 WeakPolarHBondContact O-CG 3.48Å; E97-K101 PolarHBondContact O-N 3.16Å; E97-K101 WeakPolarHBondContact OE1-CE 3.11Å; E97-K101 IonicContact OE1-NZ 2.85Å; E97-K101 PolarHBondContact OE1-NZ 3.35Å; T98-K101 PolarHBondContact O-N 2.99Å; K99-K101 VanDerWaalsContact C-N 3.33Å; K99-K101 PolarHBondContact O-N 3.11Å; K101-S104 PolarHBondContact O-N 3.23Å; K101-K105 PolarHBondContact O-N 2.91Å; K101-K105 VanDerWaalsContact O-N 3.14Å
102A60.6Low68.8Low52 Ų5291.8 Ų91.843%0.4347%0.467SS..Hα-helixtrans-59.7-55.7174.200000111.2T98 K99 S104 K105 E106T98-A102 WeakPolarHBondContact O-CB 3.5Å; T98-A102 PolarHBondContact O-N 2.98Å; K99-A102 WeakPolarHBondContact O-CB 3.28Å; K99-A102 PolarHBondContact O-N 3.25Å; A102-S104 VanDerWaalsContact C-N 3.26Å; A102-S104 PolarHBondContact O-N 2.87Å; A102-K105 PolarHBondContact O-N 2.93Å; A102-K105 VanDerWaalsContact O-N 3.07Å; A102-E106 WeakPolarHBondContact O-CB 3.46Å; A102-E106 PolarHBondContact O-N 3.1Å
103Y54.6Low66.9Low173 Ų17390.9 Ų90.968%0.67848%0.48SS*.Hα-helixtrans-59.1-35.3177.8-66.6-60.6000113K99 K105 G107K99-Y103 WeakPolarHBondContact O-CD2 3.47Å; K99-Y103 PolarHBondContact O-N 2.61Å; Y103-K105 PolarHBondContact O-N 3.34Å; Y103-G107 PolarHBondContact O-N 3.3Å
104S60.8Low65.3Low81 Ų8194.5 Ų94.557%0.56649%0.489SS*.Hα-helixtrans-68.2-29.2177.2-169.70000114T100 K101 A102T100-S104 WeakPolarHBondContact O-CB 3.33Å; T100-S104 PolarHBondContact O-N 3.49Å; T100-S104 VanDerWaalsContact O-N 3.12Å; K101-S104 PolarHBondContact O-N 3.23Å; A102-S104 VanDerWaalsContact C-N 3.26Å; A102-S104 PolarHBondContact O-N 2.87Å
105K56.3Low63.7Low138 Ų13897.6 Ų97.660%0.650%0.502SS*.Hα-helixtrans-92.2-42.1179.5-171.7179.3178.8-175.60112.2K101 A102 Y103 G107 L108 L109K101-K105 PolarHBondContact O-N 2.91Å; K101-K105 VanDerWaalsContact O-N 3.14Å; A102-K105 PolarHBondContact O-N 2.93Å; A102-K105 VanDerWaalsContact O-N 3.07Å; Y103-K105 PolarHBondContact O-N 3.34Å; K105-G107 VanDerWaalsContact C-N 3.26Å; K105-G107 PolarHBondContact O-N 2.78Å; K105-L108 PolarHBondContact O-N 2.82Å; K105-L109 HydrophobicContact CG-CD1 4.3Å; K105-L109 PolarHBondContact O-N 3.39Å
106E55.9Low62.5Low123 Ų12398.7 Ų98.758%0.57551%0.509SS*.Hα-helixtrans-64.5-33.6175.7-171.3175.8-17100111.3A102 S110A102-E106 WeakPolarHBondContact O-CB 3.46Å; A102-E106 PolarHBondContact O-N 3.1Å; E106-S110 WeakPolarHBondContact O-CB 3.46Å; E106-S110 PolarHBondContact O-N 3.47Å; E106-S110 PolarHBondContact O-OG 2.93Å
107G53.3Low61.7Low33 Ų3396.1 Ų96.134%0.3451%0.508SS..Hα-helixtrans-58-47.5172.500000113.3Y103 K105 S110 I111Y103-G107 PolarHBondContact O-N 3.3Å; K105-G107 VanDerWaalsContact C-N 3.26Å; K105-G107 PolarHBondContact O-N 2.78Å; G107-S110 PolarHBondContact O-N 3.41Å; G107-I111 WeakPolarHBondContact O-CD1 3.49Å; G107-I111 VanDerWaalsContact O-CG1 3.27Å; G107-I111 WeakPolarHBondContact O-CG1 3.12Å; G107-I111 PolarHBondContact O-N 2.89Å; G107-I111 VanDerWaalsContact O-N 3.15Å
108L50.4Low61.1Low121 Ų12196.9 Ų96.963%0.63451%0.514SS*.Hα-helixtrans-63.9-52.7178.1-75.5165.7000111.8K105 S110 I111 E112K105-L108 PolarHBondContact O-N 2.82Å; L108-S110 VanDerWaalsContact C-N 3.25Å; L108-S110 PolarHBondContact O-N 2.99Å; L108-I111 PolarHBondContact O-N 2.91Å; L108-E112 PolarHBondContact O-N 3.04Å; L108-E112 VanDerWaalsContact O-N 3.1Å
109L54.8Low60.7Low96 Ų9698.3 Ų98.350%0.50352%0.518SS..Hα-helixtrans-63-32.4-179.8-65.6171.3000112.4K105 I111 A113K105-L109 HydrophobicContact CG-CD1 4.3Å; K105-L109 PolarHBondContact O-N 3.39Å; L109-I111 VanDerWaalsContact C-N 3.35Å; L109-A113 WeakPolarHBondContact O-CB 3.33Å; L109-A113 PolarHBondContact O-N 2.96Å; L109-A113 VanDerWaalsContact O-N 3.15Å
110S53.7Low60.4Low41 Ų4199.4 Ų99.429%0.28752%0.523SS..Hα-helixtrans-73.4-22175.3-66.10000114.2E106 G107 L108 K114E106-S110 WeakPolarHBondContact O-CB 3.46Å; E106-S110 PolarHBondContact O-N 3.47Å; E106-S110 PolarHBondContact O-OG 2.93Å; G107-S110 PolarHBondContact O-N 3.41Å; L108-S110 VanDerWaalsContact C-N 3.25Å; L108-S110 PolarHBondContact O-N 2.99Å; S110-K114 VanDerWaalsContact O-CB 3.31Å; S110-K114 WeakPolarHBondContact O-CB 3.47Å; S110-K114 VanDerWaalsContact O-CD 3.29Å; S110-K114 WeakPolarHBondContact O-CD 3.47Å; S110-K114 WeakPolarHBondContact O-CG 3.48Å
111I52.1Low61Low107 Ų10797.8 Ų97.855%0.54951%0.509SS..Hα-helixtrans-78.9-48.3173.1-71.4161.7000108.9G107 L108 L109 A113 K114 K115G107-I111 WeakPolarHBondContact O-CD1 3.49Å; G107-I111 VanDerWaalsContact O-CG1 3.27Å; G107-I111 WeakPolarHBondContact O-CG1 3.12Å; G107-I111 PolarHBondContact O-N 2.89Å; G107-I111 VanDerWaalsContact O-N 3.15Å; L108-I111 PolarHBondContact O-N 2.91Å; L109-I111 VanDerWaalsContact C-N 3.35Å; I111-A113 PolarHBondContact O-N 2.92Å; I111-K114 CarbonylContact O-C 3.54Å; I111-K114 PolarHBondContact O-N 2.64Å; I111-K115 PolarHBondContact O-N 2.94Å; I111-K115 VanDerWaalsContact O-N 3.11Å
112E51.1Low61.6Low133 Ų13392.7 Ų92.762%0.62149%0.487SS*.Hα-helixtrans-60.6-42-177.2-162.5156.8-127.200112.4L108 K114L108-E112 PolarHBondContact O-N 3.04Å; L108-E112 VanDerWaalsContact O-N 3.1Å; E112-K114 VanDerWaalsContact C-N 3.25Å; E112-K114 PolarHBondContact O-N 2.99Å
113A55.9Low62.7Low89 Ų8992.4 Ų92.474%0.73648%0.477SS*.THydrogen-bonded Turntrans-77.91.6174.600000115.1L109 I111L109-A113 WeakPolarHBondContact O-CB 3.33Å; L109-A113 PolarHBondContact O-N 2.96Å; L109-A113 VanDerWaalsContact O-N 3.15Å; I111-A113 PolarHBondContact O-N 2.92Å
114K56.3Low64.2Low163 Ų16388.3 Ų88.371%0.70946%0.464SS*.THydrogen-bonded Turntrans-132.518-178.7-62.7-178.5-173.4166.30113.6S110 I111 E112 D116S110-K114 VanDerWaalsContact O-CB 3.31Å; S110-K114 WeakPolarHBondContact O-CB 3.47Å; S110-K114 VanDerWaalsContact O-CD 3.29Å; S110-K114 WeakPolarHBondContact O-CD 3.47Å; S110-K114 WeakPolarHBondContact O-CG 3.48Å; I111-K114 CarbonylContact O-C 3.54Å; I111-K114 PolarHBondContact O-N 2.64Å; E112-K114 VanDerWaalsContact C-N 3.25Å; E112-K114 PolarHBondContact O-N 2.99Å; K114-D116 PolarHBondContact O-N 2.7Å
115K56.2Low65.5Low77 Ų7784.5 Ų84.534%0.33544%0.437SS..  trans-61.1133.8173.8-84.3171.2171.3-176.40110.4I111 E123I111-K115 PolarHBondContact O-N 2.94Å; I111-K115 VanDerWaalsContact O-N 3.11Å; K115-E123 WeakPolarHBondContact CD-OE2 3.41Å; K115-E123 WeakPolarHBondContact CE-OE1 3.45Å; K115-E123 WeakPolarHBondContact CE-OE2 3.34Å; K115-E123 IonicContact NZ-OE1 2.66Å; K115-E123 PolarHBondContact NZ-OE1 2.63Å; K115-E123 IonicContact NZ-OE2 3.47Å; K115-E123 PolarHBondContact NZ-OE2 3.48Å
116D65Low67Low68 Ų6879.6 Ų79.636%0.36442%0.417SS..  trans-59.1137.6169.7-167-61000108.6K114 L118 Q119 K120K114-D116 PolarHBondContact O-N 2.7Å; D116-L118 PolarHBondContact O-N 3.03Å; D116-L118 VanDerWaalsContact O-N 3.13Å; D116-L118 PolarHBondContact OD1-N 3.36Å; D116-Q119 HydrophobicContact CB-CB 4.06Å; D116-Q119 PolarHBondContact O-N 3.14Å; D116-K120 PolarHBondContact O-N 3.39Å
117P72.2Confident68.7Low97 Ų9778.4 Ų78.463%0.6342%0.415SS*.Hα-helixtrans-49.2-36.2174.9-3036.6000113.8K120 E121P117-K120 PolarHBondContact O-N 3.48Å; P117-E121 WeakPolarHBondContact O-CB 3.37Å; P117-E121 PolarHBondContact O-N 2.96Å
118L69.7Low70.6Confident100 Ų10078 Ų7852%0.52440%0.403SS..Hα-helixtrans-73.1-36.1178.3-168.9150.3000112.1D116 E121 K122D116-L118 PolarHBondContact O-N 3.03Å; D116-L118 VanDerWaalsContact O-N 3.13Å; D116-L118 PolarHBondContact OD1-N 3.36Å; L118-E121 PolarHBondContact O-N 3.27Å; L118-K122 WeakPolarHBondContact O-CB 3.49Å; L118-K122 PolarHBondContact O-N 3.24Å
119Q73.5Confident72.6Confident69 Ų6972.2 Ų72.232%0.32237%0.373SS..Hα-helixtrans-67.9-37.9172.6178.760.327.900111.5D116 K122 E123D116-Q119 HydrophobicContact CB-CB 4.06Å; D116-Q119 PolarHBondContact O-N 3.14Å; Q119-K122 PolarHBondContact O-N 2.97Å; Q119-E123 PolarHBondContact NE2-OE1 3.06Å; Q119-E123 WeakPolarHBondContact O-CB 3.43Å; Q119-E123 VanDerWaalsContact O-CG 3.25Å; Q119-E123 WeakPolarHBondContact O-CG 3.46Å; Q119-E123 PolarHBondContact O-N 3.21Å
120K76.6Confident74.3Confident112 Ų11271.9 Ų71.949%0.48737%0.367SS..Hα-helixtrans-64.8-40.7174.8-178.6174.6178.8-70.80111.5D116 P117 E123 E124D116-K120 PolarHBondContact O-N 3.39Å; P117-K120 PolarHBondContact O-N 3.48Å; K120-E123 PolarHBondContact O-N 2.96Å; K120-E124 IonicContact NZ-OE1 2.68Å; K120-E124 PolarHBondContact NZ-OE1 2.77Å; K120-E124 WeakPolarHBondContact O-CG 3.44Å; K120-E124 PolarHBondContact O-N 3.33Å
121E81.5Confident76.2Confident54 Ų5476.7 Ų76.725%0.25239%0.385SS..Hα-helixtrans-64.3-43.6173.9166.6159-112.100112.5P117 L118 E123 E124 L125 C198 R202P117-E121 WeakPolarHBondContact O-CB 3.37Å; P117-E121 PolarHBondContact O-N 2.96Å; L118-E121 PolarHBondContact O-N 3.27Å; E121-E123 VanDerWaalsContact C-N 3.28Å; E121-E123 PolarHBondContact O-N 3.13Å; E121-E124 PolarHBondContact O-N 2.8Å; E121-L125 HydrophobicContact CG-CD1 4.33Å; E121-L125 WeakPolarHBondContact O-CG 3.39Å; E121-L125 PolarHBondContact O-N 2.95Å; E121-C198 HydrophobicContact CG-CB 3.72Å; E121-R202 IonicContact OE1-CZ 3.53Å; E121-R202 IonicContact OE1-NE 2.7Å; E121-R202 PolarHBondContact OE1-NE 2.97Å; E121-R202 IonicContact OE1-NH2 2.89Å; E121-R202 PolarHBondContact OE1-NH2 3.39Å
122K82.4Confident78.1Confident19 Ų1972 Ų728%0.08336%0.362CS..Hα-helixtrans-57.8-40.1172.9174.7169170.3165.20112.1L118 Q119 L125 D126 L191 D192 E194L118-K122 WeakPolarHBondContact O-CB 3.49Å; L118-K122 PolarHBondContact O-N 3.24Å; Q119-K122 PolarHBondContact O-N 2.97Å; K122-L125 PolarHBondContact O-N 2.74Å; K122-D126 VanDerWaalsContact O-CB 3.29Å; K122-D126 WeakPolarHBondContact O-CB 3.27Å; K122-D126 PolarHBondContact O-N 3.23Å; K122-L191 WeakPolarHBondContact CE-O 3.36Å; K122-L191 PolarHBondContact NZ-O 2.95Å; K122-D192 PolarHBondContact NZ-O 3.06Å; K122-E194 IonicContact NZ-OE1 3.91Å
123E83.6Confident80Confident47 Ų4766.6 Ų66.622%0.2234%0.337CS..Hα-helixtrans-75.4-36.7179-71166.6174.500113.6K115 Q119 K120 E121 L125 D126 D127K115-E123 WeakPolarHBondContact CD-OE2 3.41Å; K115-E123 WeakPolarHBondContact CE-OE1 3.45Å; K115-E123 WeakPolarHBondContact CE-OE2 3.34Å; K115-E123 IonicContact NZ-OE1 2.66Å; K115-E123 PolarHBondContact NZ-OE1 2.63Å; K115-E123 IonicContact NZ-OE2 3.47Å; K115-E123 PolarHBondContact NZ-OE2 3.48Å; Q119-E123 PolarHBondContact NE2-OE1 3.06Å; Q119-E123 WeakPolarHBondContact O-CB 3.43Å; Q119-E123 VanDerWaalsContact O-CG 3.25Å; Q119-E123 WeakPolarHBondContact O-CG 3.46Å; Q119-E123 PolarHBondContact O-N 3.21Å; K120-E123 PolarHBondContact O-N 2.96Å; E121-E123 VanDerWaalsContact C-N 3.28Å; E121-E123 PolarHBondContact O-N 3.13Å; E123-L125 PolarHBondContact O-N 3.33Å; E123-D126 PolarHBondContact O-N 3.43Å; E123-D127 PolarHBondContact O-N 3.42Å
124E86.8Confident81.8Confident86 Ų8665.8 Ų65.840%0.40233%0.326SS..Hα-helixtrans-58.9-39.2170.3-77.4171.5-177.800111.4K120 E121 W128 R202K120-E124 IonicContact NZ-OE1 2.68Å; K120-E124 PolarHBondContact NZ-OE1 2.77Å; K120-E124 WeakPolarHBondContact O-CG 3.44Å; K120-E124 PolarHBondContact O-N 3.33Å; E121-E124 PolarHBondContact O-N 2.8Å; E124-W128 VanDerWaalsContact O-CB 3.3Å; E124-W128 WeakPolarHBondContact O-CB 3.36Å; E124-W128 PolarHBondContact O-N 3.04Å; E124-R202 IonicContact OE2-NH2 2.66Å
125L87.9Confident83.5Confident2 Ų260 Ų601%0.0131%0.306CS..Hα-helixtrans-72.9-39.5174.9-71.5169.6000112.7E121 K122 E123 W128 L129 L191 C198 V201 R202E121-L125 HydrophobicContact CG-CD1 4.33Å; E121-L125 WeakPolarHBondContact O-CG 3.39Å; E121-L125 PolarHBondContact O-N 2.95Å; K122-L125 PolarHBondContact O-N 2.74Å; E123-L125 PolarHBondContact O-N 3.33Å; L125-W128 HydrophobicContact CD2-CE3 4.45Å; L125-W128 PolarHBondContact O-N 2.93Å; L125-L129 WeakPolarHBondContact O-CB 3.47Å; L125-L129 WeakPolarHBondContact O-CG 3.45Å; L125-L129 PolarHBondContact O-N 3.07Å; L125-L191 HydrophobicContact CB-CD1 4.18Å; L125-C198 HydrophobicContact CD1-CB 3.58Å; L125-V201 HydrophobicContact CD1-CB 4.27Å; L125-V201 HydrophobicContact CD2-CB 4.39Å; L125-V201 HydrophobicContact CD2-CG1 4.1Å; L125-R202 HydrophobicContact CD1-CG 4.49Å; L125-R202 HydrophobicContact CD2-CG 3.99Å
126D88.5Confident85.1Confident34 Ų3456.5 Ų56.518%0.18229%0.291CS..Hα-helixtrans-64.2-45.2177.6177.238.8000112K122 E123 L129 K130K122-D126 VanDerWaalsContact O-CB 3.29Å; K122-D126 WeakPolarHBondContact O-CB 3.27Å; K122-D126 PolarHBondContact O-N 3.23Å; E123-D126 PolarHBondContact O-N 3.43Å; D126-L129 PolarHBondContact O-N 3.45Å; D126-K130 WeakPolarHBondContact O-CE 3.29Å; D126-K130 VanDerWaalsContact O-CG 3.31Å; D126-K130 WeakPolarHBondContact O-CG 3.4Å; D126-K130 PolarHBondContact O-N 3.43Å; D126-K130 WeakPolarHBondContact OD1-CE 3.44Å; D126-K130 IonicContact OD1-NZ 3.22Å; D126-K130 PolarHBondContact OD1-NZ 3.38Å; D126-K130 WeakPolarHBondContact OD2-CE 3.36Å; D126-K130 IonicContact OD2-NZ 2.81Å; D126-K130 PolarHBondContact OD2-NZ 3.39Å
127D90.9Very high86.5Confident98 Ų9856.4 Ų56.452%0.52429%0.291SS..Hα-helixtrans-68-34.8174.5-78.2-14.2000112.5E123 K130 Q131E123-D127 PolarHBondContact O-N 3.42Å; D127-K130 PolarHBondContact O-N 2.77Å; D127-K130 IonicContact OD1-NZ 3.98Å; D127-K130 PolarHBondContact OD1-NZ 2.57Å; D127-Q131 PolarHBondContact O-N 3.01Å
128W93Very high87.4Confident24 Ų2455.8 Ų55.89%0.09129%0.285CS..Hα-helixtrans-64.1-43.6170.9171.580.7000112.5E124 L125 K130 Q131 C132 V201 Q205 I208 E209E124-W128 VanDerWaalsContact O-CB 3.3Å; E124-W128 WeakPolarHBondContact O-CB 3.36Å; E124-W128 PolarHBondContact O-N 3.04Å; L125-W128 HydrophobicContact CD2-CE3 4.45Å; L125-W128 PolarHBondContact O-N 2.93Å; W128-K130 PolarHBondContact O-N 3.37Å; W128-Q131 WeakPolarHBondContact O-CB 3.47Å; W128-Q131 PolarHBondContact O-N 3.22Å; W128-Q131 VanDerWaalsContact O-N 3.17Å; W128-C132 PolarHBondContact O-N 3.02Å; W128-C132 PolarHBondContact O-SG 3Å; W128-C132 VanDerWaalsContact O-SG 3.33Å; W128-V201 HydrophobicContact CZ3-CG1 4.03Å; W128-Q205 HydrophobicContact CH2-CB 4.16Å; W128-Q205 HydrophobicContact CH2-CG 4.35Å; W128-Q205 HydrophobicContact CZ2-CB 3.91Å; W128-Q205 HydrophobicContact CZ2-CG 3.64Å; W128-I208 HydrophobicContact CH2-CB 4.21Å; W128-I208 HydrophobicContact CH2-CD1 3.89Å; W128-I208 HydrophobicContact CH2-CG2 4.19Å; W128-I208 HydrophobicContact CZ2-CB 4.19Å; W128-I208 HydrophobicContact CZ2-CG2 4.07Å; W128-E209 HydrophobicContact CZ2-CG 4.44Å; W128-E209 PolarHBondContact NE1-OE1 2.95Å
129L92Very high88.3Confident0 Ų052 Ų520%027%0.265CS..Hα-helixtrans-61.3-43.3176-75.8167.4000111.4L125 D126 Q131 C132 I133 L184 I187 M188 L191L125-L129 WeakPolarHBondContact O-CB 3.47Å; L125-L129 WeakPolarHBondContact O-CG 3.45Å; L125-L129 PolarHBondContact O-N 3.07Å; D126-L129 PolarHBondContact O-N 3.45Å; L129-Q131 VanDerWaalsContact C-N 3.33Å; L129-Q131 PolarHBondContact O-N 3.45Å; L129-C132 PolarHBondContact O-N 2.83Å; L129-I133 WeakPolarHBondContact O-CB 3.38Å; L129-I133 VanDerWaalsContact O-CG1 3.27Å; L129-I133 WeakPolarHBondContact O-CG1 3.42Å; L129-I133 PolarHBondContact O-N 3.37Å; L129-L184 HydrophobicContact CD2-CB 4.35Å; L129-L184 HydrophobicContact CD2-CD2 3.72Å; L129-I187 HydrophobicContact CD1-CG2 3.84Å; L129-I187 HydrophobicContact CD2-CG2 4.02Å; L129-M188 HydrophobicContact CD1-CB 4.01Å; L129-M188 HydrophobicContact CD1-CG 4.41Å; L129-L191 HydrophobicContact CD1-CD1 3.61Å
130K92.2Very high89.2Confident90 Ų9049.5 Ų49.539%0.39125%0.254SS..Hα-helixtrans-60.4-41.6173.2-68.9166-146156.30112D126 D127 W128 I133 S134 M188D126-K130 WeakPolarHBondContact O-CE 3.29Å; D126-K130 VanDerWaalsContact O-CG 3.31Å; D126-K130 WeakPolarHBondContact O-CG 3.4Å; D126-K130 PolarHBondContact O-N 3.43Å; D126-K130 WeakPolarHBondContact OD1-CE 3.44Å; D126-K130 IonicContact OD1-NZ 3.22Å; D126-K130 PolarHBondContact OD1-NZ 3.38Å; D126-K130 WeakPolarHBondContact OD2-CE 3.36Å; D126-K130 IonicContact OD2-NZ 2.81Å; D126-K130 PolarHBondContact OD2-NZ 3.39Å; D127-K130 PolarHBondContact O-N 2.77Å; D127-K130 IonicContact OD1-NZ 3.98Å; D127-K130 PolarHBondContact OD1-NZ 2.57Å; W128-K130 PolarHBondContact O-N 3.37Å; K130-I133 PolarHBondContact O-N 3.09Å; K130-S134 VanDerWaalsContact O-CB 3.3Å; K130-S134 WeakPolarHBondContact O-CB 3.43Å; K130-S134 PolarHBondContact O-N 3.46Å; K130-M188 HydrophobicContact CG-SD 4.32Å
131Q92.7Very high89.9Confident142 Ų14250.6 Ų50.666%0.66426%0.261SS*.Hα-helixtrans-64.2-43.1176.9-174.8173.3-12.400111.4D127 W128 L129 S134 S135D127-Q131 PolarHBondContact O-N 3.01Å; W128-Q131 WeakPolarHBondContact O-CB 3.47Å; W128-Q131 PolarHBondContact O-N 3.22Å; W128-Q131 VanDerWaalsContact O-N 3.17Å; L129-Q131 VanDerWaalsContact C-N 3.33Å; L129-Q131 PolarHBondContact O-N 3.45Å; Q131-S134 PolarHBondContact O-N 2.63Å; Q131-S135 WeakPolarHBondContact O-CB 3.49Å; Q131-S135 PolarHBondContact O-N 3.29Å
132C91.8Very high90.4Very high7 Ų751.8 Ų51.85%0.04727%0.265CS..Hα-helixtrans-63-46.6175.4-68.70000112.2W128 L129 S134 S135 L136 L184 I208 I212W128-C132 PolarHBondContact O-N 3.02Å; W128-C132 PolarHBondContact O-SG 3Å; W128-C132 VanDerWaalsContact O-SG 3.33Å; L129-C132 PolarHBondContact O-N 2.83Å; C132-S134 VanDerWaalsContact C-N 3.34Å; C132-S134 PolarHBondContact O-N 3.49Å; C132-S135 PolarHBondContact O-N 3.44Å; C132-L136 WeakPolarHBondContact O-CG 3.45Å; C132-L136 PolarHBondContact O-N 3.01Å; C132-L184 HydrophobicContact CB-CD1 3.76Å; C132-I208 HydrophobicContact CB-CG2 4.41Å; C132-I212 HydrophobicContact CB-CD1 3.77Å
133I92.2Very high90.8Very high21 Ų2150.9 Ų50.911%0.10826%0.261CS..Hα-helixtrans-60.8-42.1175.3-69.8165.6000110.9L129 K130 S135 L136 N137 V181 L184 E185 M188L129-I133 WeakPolarHBondContact O-CB 3.38Å; L129-I133 VanDerWaalsContact O-CG1 3.27Å; L129-I133 WeakPolarHBondContact O-CG1 3.42Å; L129-I133 PolarHBondContact O-N 3.37Å; K130-I133 PolarHBondContact O-N 3.09Å; I133-S135 PolarHBondContact O-N 3.21Å; I133-L136 PolarHBondContact O-N 3.36Å; I133-N137 WeakPolarHBondContact O-CB 3.21Å; I133-N137 VanDerWaalsContact O-CG 3.29Å; I133-N137 PolarHBondContact O-N 3.22Å; I133-N137 PolarHBondContact O-ND2 3.25Å; I133-V181 HydrophobicContact CG2-CG1 4.3Å; I133-L184 HydrophobicContact CD1-CB 3.91Å; I133-L184 HydrophobicContact CG1-CB 3.69Å; I133-L184 HydrophobicContact CG1-CD1 3.96Å; I133-E185 HydrophobicContact CD1-CG 4.45Å; I133-M188 HydrophobicContact CD1-SD 4.44Å
134S93Very high91.2Very high72 Ų7253.8 Ų53.850%0.50328%0.275SS..Hα-helixtrans-65.6-37176.8-168.40000112.5K130 Q131 C132 T138K130-S134 VanDerWaalsContact O-CB 3.3Å; K130-S134 WeakPolarHBondContact O-CB 3.43Å; K130-S134 PolarHBondContact O-N 3.46Å; Q131-S134 PolarHBondContact O-N 2.63Å; C132-S134 VanDerWaalsContact C-N 3.34Å; C132-S134 PolarHBondContact O-N 3.49Å; S134-T138 PolarHBondContact O-N 2.95Å; S134-T138 VanDerWaalsContact O-N 3.12Å; S134-T138 PolarHBondContact O-OG1 3.08Å
135S91.1Very high91.5Very high42 Ų4256.4 Ų56.429%0.29429%0.285SS..Hα-helixtrans-67.5-48.2175.8-1670000111.1Q131 C132 I133 N137 T138 Q139 I212Q131-S135 WeakPolarHBondContact O-CB 3.49Å; Q131-S135 PolarHBondContact O-N 3.29Å; C132-S135 PolarHBondContact O-N 3.44Å; I133-S135 PolarHBondContact O-N 3.21Å; S135-N137 PolarHBondContact O-N 3.32Å; S135-T138 WeakPolarHBondContact O-CB 3.29Å; S135-T138 PolarHBondContact O-N 2.92Å; S135-T138 VanDerWaalsContact O-N 3.09Å; S135-Q139 PolarHBondContact O-N 3.32Å; S135-I212 VanDerWaalsContact OG-CG2 3.28Å; S135-I212 WeakPolarHBondContact OG-CG2 3.35Å
136L91.1Very high91.6Very high2 Ų258.8 Ų58.81%0.0130%0.296CS..Hα-helixtrans-61.7-41.9176.7-71.3166000112.3C132 I133 T138 Q139 T140 H180 V181 L184 I212C132-L136 WeakPolarHBondContact O-CG 3.45Å; C132-L136 PolarHBondContact O-N 3.01Å; I133-L136 PolarHBondContact O-N 3.36Å; L136-T138 VanDerWaalsContact C-N 3.28Å; L136-T138 PolarHBondContact O-N 3.42Å; L136-Q139 CarbonylContact O-C 3.58Å; L136-Q139 WeakPolarHBondContact O-CA 3.09Å; L136-Q139 WeakPolarHBondContact O-CB 3.42Å; L136-Q139 PolarHBondContact O-N 2.87Å; L136-T140 PolarHBondContact O-N 2.96Å; L136-T140 PolarHBondContact O-OG1 3.31Å; L136-T140 VanDerWaalsContact O-OG1 3.08Å; L136-H180 HydrophobicContact CD1-CB 3.64Å; L136-H180 HydrophobicContact CD2-CB 4.34Å; L136-V181 HydrophobicContact CB-CG2 3.6Å; L136-V181 HydrophobicContact CD1-CG2 4.08Å; L136-L184 HydrophobicContact CD1-CD1 3.58Å; L136-I212 HydrophobicContact CD2-CG1 3.98Å; L136-I212 HydrophobicContact CG-CD1 4.31Å; L136-I212 HydrophobicContact CG-CG1 4.06Å
137N92.9Very high91.6Very high67 Ų6757.8 Ų57.836%0.35829%0.291SS..Hα-helixtrans-62.3-34.8173.9-75.1-29.6000112.4I133 S135 Q139 T140 E141I133-N137 WeakPolarHBondContact O-CB 3.21Å; I133-N137 VanDerWaalsContact O-CG 3.29Å; I133-N137 PolarHBondContact O-N 3.22Å; I133-N137 PolarHBondContact O-ND2 3.25Å; S135-N137 PolarHBondContact O-N 3.32Å; N137-Q139 VanDerWaalsContact C-N 3.3Å; N137-Q139 PolarHBondContact O-N 3.04Å; N137-T140 WeakPolarHBondContact O-CB 3.31Å; N137-T140 PolarHBondContact O-N 3.22Å; N137-E141 WeakPolarHBondContact O-CG 3.44Å; N137-E141 PolarHBondContact O-N 3.11Å
138T92.1Very high91.5Very high84 Ų8458.4 Ų58.452%0.51529%0.29SS..Hα-helixtrans-66.1-34.3172.7-50.80000111.5S134 S135 L136 K142S134-T138 PolarHBondContact O-N 2.95Å; S134-T138 VanDerWaalsContact O-N 3.12Å; S134-T138 PolarHBondContact O-OG1 3.08Å; S135-T138 WeakPolarHBondContact O-CB 3.29Å; S135-T138 PolarHBondContact O-N 2.92Å; S135-T138 VanDerWaalsContact O-N 3.09Å; L136-T138 VanDerWaalsContact C-N 3.28Å; L136-T138 PolarHBondContact O-N 3.42Å; T138-K142 WeakPolarHBondContact O-CB 3.27Å; T138-K142 PolarHBondContact O-N 3.4Å; T138-K142 VanDerWaalsContact O-N 3.08Å
139Q89.5Confident91.4Very high21 Ų2160.8 Ų60.810%0.09831%0.305CS..Hα-helixtrans-71.8-38.7172.8-63.8-17512.100112.3S135 L136 N137 K142 Y143 I212S135-Q139 PolarHBondContact O-N 3.32Å; L136-Q139 CarbonylContact O-C 3.58Å; L136-Q139 WeakPolarHBondContact O-CA 3.09Å; L136-Q139 WeakPolarHBondContact O-CB 3.42Å; L136-Q139 PolarHBondContact O-N 2.87Å; N137-Q139 VanDerWaalsContact C-N 3.3Å; N137-Q139 PolarHBondContact O-N 3.04Å; Q139-K142 WeakPolarHBondContact O-CB 3.27Å; Q139-K142 PolarHBondContact O-N 3.37Å; Q139-Y143 HydrophobicContact CB-CD2 4.37Å; Q139-Y143 HydrophobicContact CB-CE2 3.99Å; Q139-Y143 WeakPolarHBondContact O-CD2 3.18Å; Q139-Y143 PolarHBondContact O-N 3.46Å; Q139-I212 PolarHBondContact NE2-O 2.89Å
140T90.8Very high91.1Very high16 Ų1663.1 Ų63.110%0.09832%0.317CS..Hα-helixtrans-54.3-54.9170.6-60.30000110.3L136 N137 K142 Y143 E144 L174L136-T140 PolarHBondContact O-N 2.96Å; L136-T140 PolarHBondContact O-OG1 3.31Å; L136-T140 VanDerWaalsContact O-OG1 3.08Å; N137-T140 WeakPolarHBondContact O-CB 3.31Å; N137-T140 PolarHBondContact O-N 3.22Å; T140-K142 PolarHBondContact O-N 2.81Å; T140-Y143 PolarHBondContact O-N 3.21Å; T140-E144 WeakPolarHBondContact O-CG 3.4Å; T140-E144 PolarHBondContact O-N 2.96Å; T140-L174 HydrophobicContact CG2-CD1 3.51Å
141E93.1Very high90.7Very high135 Ų13561.2 Ų61.263%0.63132%0.315SS*.Hα-helixtrans-58.2-42.9177.4-71.8178.7-162.700112.4N137 F145N137-E141 WeakPolarHBondContact O-CG 3.44Å; N137-E141 PolarHBondContact O-N 3.11Å; E141-F145 WeakPolarHBondContact O-CB 3.23Å; E141-F145 PolarHBondContact O-N 3.24Å
142K91.5Very high90.2Very high78 Ų7857.2 Ų57.234%0.33930%0.298SS..Hα-helixtrans-57.5-49.8174.2173.4-169.1170.1-1680111.5T138 Q139 T140 F145 E146 D216T138-K142 WeakPolarHBondContact O-CB 3.27Å; T138-K142 PolarHBondContact O-N 3.4Å; T138-K142 VanDerWaalsContact O-N 3.08Å; Q139-K142 WeakPolarHBondContact O-CB 3.27Å; Q139-K142 PolarHBondContact O-N 3.37Å; T140-K142 PolarHBondContact O-N 2.81Å; K142-F145 PolarHBondContact O-N 3.49Å; K142-E146 WeakPolarHBondContact CE-OE1 3.29Å; K142-E146 WeakPolarHBondContact CG-OE1 3.46Å; K142-E146 WeakPolarHBondContact O-CG 3.23Å; K142-E146 PolarHBondContact O-N 2.84Å; K142-D216 IonicContact NZ-OD2 3.61Å
143Y90.7Very high89.4Confident0 Ų062.8 Ų62.80%033%0.328CS..Hα-helixtrans-73.3-35.1-176.3-64.1-45.7000112.6Q139 T140 E146 I147 K170 R173 S215Q139-Y143 HydrophobicContact CB-CD2 4.37Å; Q139-Y143 HydrophobicContact CB-CE2 3.99Å; Q139-Y143 WeakPolarHBondContact O-CD2 3.18Å; Q139-Y143 PolarHBondContact O-N 3.46Å; T140-Y143 PolarHBondContact O-N 3.21Å; Y143-E146 PolarHBondContact O-N 3.14Å; Y143-I147 WeakPolarHBondContact O-CB 3.16Å; Y143-I147 VanDerWaalsContact O-CD1 3.31Å; Y143-I147 WeakPolarHBondContact O-CD1 3.43Å; Y143-I147 WeakPolarHBondContact O-CG1 3.49Å; Y143-I147 PolarHBondContact O-N 3.48Å; Y143-K170 HydrophobicContact CD1-CD 3.68Å; Y143-K170 HydrophobicContact CE1-CD 3.98Å; Y143-R173 HydrophobicContact CD2-CB 3.85Å; Y143-R173 HydrophobicContact CE1-CB 4.46Å; Y143-R173 HydrophobicContact CE2-CB 3.74Å; Y143-R173 HydrophobicContact CE2-CG 4.47Å; Y143-R173 HydrophobicContact CG-CB 4.29Å; Y143-R173 WeakPolarHBondContact OH-CD 3.44Å; Y143-S215 PolarHBondContact OH-O 3.21Å
144E91.8Very high88.2Confident108 Ų10862.7 Ų62.751%0.50533%0.328SS..Hα-helixtrans-60.2-45.8170-72.5-171.7154.700111.6T140 I147 E148 L174T140-E144 WeakPolarHBondContact O-CG 3.4Å; T140-E144 PolarHBondContact O-N 2.96Å; E144-I147 PolarHBondContact O-N 3.07Å; E144-E148 PolarHBondContact O-N 2.63Å; E144-L174 HydrophobicContact CG-CD1 3.78Å; E144-L174 HydrophobicContact CG-CD2 3.77Å; E144-L174 HydrophobicContact CG-CG 4.46Å
145F91.8Very high86.6Confident141 Ų14166.6 Ų66.662%0.61834%0.336SS*.Hα-helixtrans-63.7-43.2175.9178.1-99.4000112.7E141 K142 I147 E148 N149E141-F145 WeakPolarHBondContact O-CB 3.23Å; E141-F145 PolarHBondContact O-N 3.24Å; K142-F145 PolarHBondContact O-N 3.49Å; F145-I147 PolarHBondContact O-N 2.95Å; F145-E148 PolarHBondContact O-N 3.4Å; F145-N149 VanDerWaalsContact O-CB 3.24Å; F145-N149 WeakPolarHBondContact O-CB 3.32Å; F145-N149 PolarHBondContact O-N 3.31Å
146E90.2Very high85.2Confident52 Ų5274.8 Ų74.824%0.24337%0.366CS..Hα-helixtrans-61.7-41.9175.6-76.2178.9-154.600111.6K142 Y143 N149 L150 K170K142-E146 WeakPolarHBondContact CE-OE1 3.29Å; K142-E146 WeakPolarHBondContact CG-OE1 3.46Å; K142-E146 WeakPolarHBondContact O-CG 3.23Å; K142-E146 PolarHBondContact O-N 2.84Å; Y143-E146 PolarHBondContact O-N 3.14Å; E146-N149 PolarHBondContact O-N 3.04Å; E146-L150 WeakPolarHBondContact O-CB 3.45Å; E146-L150 VanDerWaalsContact O-CG 3.28Å; E146-L150 WeakPolarHBondContact O-CG 3.34Å; E146-L150 PolarHBondContact O-N 2.76Å; E146-K170 WeakPolarHBondContact OE2-CD 3.41Å; E146-K170 WeakPolarHBondContact OE2-CE 3.44Å; E146-K170 IonicContact OE2-NZ 2.64Å; E146-K170 PolarHBondContact OE2-NZ 2.99Å
147I89.8Confident84Confident13 Ų1380.9 Ų80.97%0.06739%0.393CS..Hα-helixtrans-63.6-44.8174.6-69.1160.6000111.1Y143 E144 F145 S151 I167 K170 R171 L174Y143-I147 WeakPolarHBondContact O-CB 3.16Å; Y143-I147 VanDerWaalsContact O-CD1 3.31Å; Y143-I147 WeakPolarHBondContact O-CD1 3.43Å; Y143-I147 WeakPolarHBondContact O-CG1 3.49Å; Y143-I147 PolarHBondContact O-N 3.48Å; E144-I147 PolarHBondContact O-N 3.07Å; F145-I147 PolarHBondContact O-N 2.95Å; I147-S151 WeakPolarHBondContact O-CB 3.48Å; I147-S151 PolarHBondContact O-N 2.9Å; I147-I167 HydrophobicContact CG2-CG2 4.38Å; I147-K170 HydrophobicContact CD1-CB 4.22Å; I147-K170 HydrophobicContact CG1-CB 3.81Å; I147-R171 HydrophobicContact CD1-CG 3.75Å; I147-R171 HydrophobicContact CG1-CG 4.4Å; I147-L174 HydrophobicContact CD1-CD2 3.99Å
148E89.3Confident82.9Confident111 Ų11188.5 Ų88.552%0.51942%0.417SS..Hα-helixtrans-66-40.1178.8-149.3-145.2143.600111.3E144 F145 S151 N152E144-E148 PolarHBondContact O-N 2.63Å; F145-E148 PolarHBondContact O-N 3.4Å; E148-S151 PolarHBondContact O-N 3.45Å; E148-N152 VanDerWaalsContact CD-ND2 3.33Å; E148-N152 WeakPolarHBondContact O-CB 3.27Å; E148-N152 PolarHBondContact O-N 3.38Å; E148-N152 PolarHBondContact O-ND2 2.89Å; E148-N152 PolarHBondContact OE1-ND2 3.38Å
149N89.4Confident81.9Confident74 Ų7488.4 Ų88.440%0.39641%0.412SS..Hα-helixtrans-63-47.8177.5-173.325.8000111.9F145 E146 S151 N152 N153F145-N149 VanDerWaalsContact O-CB 3.24Å; F145-N149 WeakPolarHBondContact O-CB 3.32Å; F145-N149 PolarHBondContact O-N 3.31Å; E146-N149 PolarHBondContact O-N 3.04Å; N149-S151 VanDerWaalsContact C-N 3.33Å; N149-S151 PolarHBondContact O-N 3.03Å; N149-N152 PolarHBondContact O-N 3.32Å; N149-N153 PolarHBondContact O-N 3.09Å; N149-N153 PolarHBondContact O-ND2 2.91Å; N149-N153 PolarHBondContact OD1-ND2 3.35Å
150L86.8Confident81.5Confident50 Ų5090.7 Ų90.726%0.26243%0.425SS..Hα-helixtrans-63.4-38176.1-67.9170.1000112.1E146 T154 T163 A166 I167E146-L150 WeakPolarHBondContact O-CB 3.45Å; E146-L150 VanDerWaalsContact O-CG 3.28Å; E146-L150 WeakPolarHBondContact O-CG 3.34Å; E146-L150 PolarHBondContact O-N 2.76Å; L150-T154 PolarHBondContact O-OG1 3.26Å; L150-T163 HydrophobicContact CB-CG2 4.24Å; L150-T163 HydrophobicContact CD2-CG2 4.27Å; L150-A166 HydrophobicContact CD1-CB 4.11Å; L150-I167 HydrophobicContact CB-CD1 3.91Å; L150-I167 HydrophobicContact CB-CG1 3.65Å; L150-I167 HydrophobicContact CD1-CG1 3.97Å; L150-I167 HydrophobicContact CG-CG1 4.47Å
151S83.3Confident81.2Confident50 Ų5099 Ų9935%0.3546%0.46SS..Hα-helixtrans-67.4-41.9174.4-1760000112.6I147 E148 N149 T154I147-S151 WeakPolarHBondContact O-CB 3.48Å; I147-S151 PolarHBondContact O-N 2.9Å; E148-S151 PolarHBondContact O-N 3.45Å; N149-S151 VanDerWaalsContact C-N 3.33Å; N149-S151 PolarHBondContact O-N 3.03Å; S151-T154 PolarHBondContact O-N 2.96Å; S151-T154 PolarHBondContact O-OG1 3.36Å
152N82Confident80.9Confident57 Ų57100.4 Ų100.431%0.30547%0.466SS..Hα-helixtrans-68-43.6-178.4-80.2-26.8000112.6E148 N149 T154 K155E148-N152 VanDerWaalsContact CD-ND2 3.33Å; E148-N152 WeakPolarHBondContact O-CB 3.27Å; E148-N152 PolarHBondContact O-N 3.38Å; E148-N152 PolarHBondContact O-ND2 2.89Å; E148-N152 PolarHBondContact OE1-ND2 3.38Å; N149-N152 PolarHBondContact O-N 3.32Å; N152-T154 PolarHBondContact O-N 3.44Å; N152-K155 WeakPolarHBondContact O-CB 3.49Å; N152-K155 PolarHBondContact O-N 3.44Å; N152-K155 WeakPolarHBondContact OD1-CE 3.38Å; N152-K155 PolarHBondContact OD1-NZ 3.17Å
153N74.5Confident80.6Confident124 Ų12498.2 Ų98.266%0.66346%0.459SS*.Hα-helixtrans-64.5-21.4-179.4-75.3-57.3000113.4N149N149-N153 PolarHBondContact O-N 3.09Å; N149-N153 PolarHBondContact O-ND2 2.91Å; N149-N153 PolarHBondContact OD1-ND2 3.35Å
154T67.8Low80.4Confident20 Ų20100.4 Ų100.412%0.12348%0.477CS..THydrogen-bonded Turntrans-92-1.7179510000114.3L150 S151 N152 K156 K157 I159 T163L150-T154 PolarHBondContact O-OG1 3.26Å; S151-T154 PolarHBondContact O-N 2.96Å; S151-T154 PolarHBondContact O-OG1 3.36Å; N152-T154 PolarHBondContact O-N 3.44Å; T154-K156 PolarHBondContact O-N 2.81Å; T154-K157 PolarHBondContact O-N 2.88Å; T154-I159 HydrophobicContact CG2-CG1 4.3Å; T154-I159 HydrophobicContact CG2-CG2 4.49Å; T154-T163 HydrophobicContact CG2-CG2 3.97Å
155K59.1Low80.2Confident153 Ų15399 Ų9967%0.66548%0.479SS*.THydrogen-bonded Turntrans-60.93.2-176.6-73.3178173.9172.70116.9N152N152-K155 WeakPolarHBondContact O-CB 3.49Å; N152-K155 PolarHBondContact O-N 3.44Å; N152-K155 WeakPolarHBondContact OD1-CE 3.38Å; N152-K155 PolarHBondContact OD1-NZ 3.17Å
156K62.1Low80Confident214 Ų21493.7 Ų93.793%0.9346%0.462SS*.THydrogen-bonded Turntrans-126.70173.7-68.2-178.6179.6174.40115.1T154T154-K156 PolarHBondContact O-N 2.81Å
157K65.6Low79.9Confident130 Ų13092.2 Ų92.257%0.56546%0.456SS*.SBendtrans-144.9143.6-178.3-173.3-166.8167.7-157.30109.2T154 I159 D160T154-K157 PolarHBondContact O-N 2.88Å; K157-I159 PolarHBondContact O-N 3.49Å; K157-D160 WeakPolarHBondContact CE-OD1 3.39Å; K157-D160 IonicContact NZ-OD1 3.6Å; K157-D160 PolarHBondContact NZ-OD1 2.97Å; K157-D160 IonicContact NZ-OD2 2.79Å; K157-D160 PolarHBondContact NZ-OD2 3.29Å
158R69.9Low79.8Confident228 Ų22897 Ų9786%0.8648%0.481SS*.PPolyproline II helixtrans-49127.1170.4179.3-177.8-179.5-178.52109.5D160R158-D160 PolarHBondContact O-N 3.16Å
159I71.7Confident79.7Confident82 Ų8294.9 Ų94.942%0.42147%0.471SS..PPolyproline II helixtrans-52.6121.3178.6-56.1176.1000108.7T154 K157 T163 A164T154-I159 HydrophobicContact CG2-CG1 4.3Å; T154-I159 HydrophobicContact CG2-CG2 4.49Å; K157-I159 PolarHBondContact O-N 3.49Å; I159-T163 HydrophobicContact CG2-CG2 4.29Å; I159-A164 HydrophobicContact CG2-CB 3.97Å
160D80.2Confident79.7Confident68 Ų6892.8 Ų92.836%0.36446%0.459SS..PPolyproline II helixtrans-71.1148.8177-62.4-70.3000109.9K157 R158 E162 T163 A164K157-D160 WeakPolarHBondContact CE-OD1 3.39Å; K157-D160 IonicContact NZ-OD1 3.6Å; K157-D160 PolarHBondContact NZ-OD1 2.97Å; K157-D160 IonicContact NZ-OD2 2.79Å; K157-D160 PolarHBondContact NZ-OD2 3.29Å; R158-D160 PolarHBondContact O-N 3.16Å; D160-E162 PolarHBondContact O-N 3.34Å; D160-E162 VanDerWaalsContact O-N 3.12Å; D160-T163 PolarHBondContact O-N 3.13Å; D160-A164 PolarHBondContact O-N 2.99Å
161K85.2Confident79.8Confident190 Ų19096.9 Ų96.983%0.82647%0.471SS*.Hα-helixtrans-56.1-36-172.7-173.7-174.6174.9-169.80112.7A164 S165K161-A164 PolarHBondContact O-N 3.3Å; K161-S165 PolarHBondContact O-N 3.24Å
162E85.3Confident80Confident166 Ų16698.3 Ų98.378%0.77647%0.472SS*.Hα-helixtrans-64.2-48176.6-173.5172.3-167.200111.9D160 A164 S165 A166D160-E162 PolarHBondContact O-N 3.34Å; D160-E162 VanDerWaalsContact O-N 3.12Å; E162-A164 VanDerWaalsContact C-N 3.32Å; E162-A164 PolarHBondContact O-N 3.02Å; E162-S165 WeakPolarHBondContact O-CB 3.32Å; E162-S165 PolarHBondContact O-N 3.25Å; E162-A166 PolarHBondContact O-N 3.42Å
163T85.5Confident80Confident31 Ų3196.6 Ų96.619%0.1946%0.461CS..Hα-helixtrans-62.7-37.6174.8-440000112.1L150 T154 I159 D160 A166 I167L150-T163 HydrophobicContact CB-CG2 4.24Å; L150-T163 HydrophobicContact CD2-CG2 4.27Å; T154-T163 HydrophobicContact CG2-CG2 3.97Å; I159-T163 HydrophobicContact CG2-CG2 4.29Å; D160-T163 PolarHBondContact O-N 3.13Å; T163-A166 PolarHBondContact O-N 3.37Å; T163-I167 HydrophobicContact CG2-CD1 4.25Å; T163-I167 VanDerWaalsContact O-CG1 3.31Å; T163-I167 WeakPolarHBondContact O-CG1 3.43Å; T163-I167 PolarHBondContact O-N 2.83Å
164A86.5Confident80.7Confident46 Ų4692 Ų9238%0.3844%0.436SS..Hα-helixtrans-63.6-43.5174.200000111.6I159 D160 K161 E162 I167 D168I159-A164 HydrophobicContact CG2-CB 3.97Å; D160-A164 PolarHBondContact O-N 2.99Å; K161-A164 PolarHBondContact O-N 3.3Å; E162-A164 VanDerWaalsContact C-N 3.32Å; E162-A164 PolarHBondContact O-N 3.02Å; A164-I167 PolarHBondContact O-N 2.72Å; A164-D168 PolarHBondContact O-N 2.79Å; A164-D168 VanDerWaalsContact O-N 3.08Å
165S87.5Confident81.7Confident78 Ų7897.9 Ų97.955%0.54546%0.462SS..Hα-helixtrans-62.5-43176.3-156.90000112.1K161 E162 D168 E169K161-S165 PolarHBondContact O-N 3.24Å; E162-S165 WeakPolarHBondContact O-CB 3.32Å; E162-S165 PolarHBondContact O-N 3.25Å; S165-D168 PolarHBondContact O-N 2.77Å; S165-E169 WeakPolarHBondContact O-CB 3.26Å; S165-E169 PolarHBondContact O-N 3.21Å
166A87.7Confident83Confident30 Ų3091.8 Ų91.825%0.24844%0.437CS..Hα-helixtrans-65-38177.100000112.4L150 E162 T163 D168 K170L150-A166 HydrophobicContact CD1-CB 4.11Å; E162-A166 PolarHBondContact O-N 3.42Å; T163-A166 PolarHBondContact O-N 3.37Å; A166-D168 VanDerWaalsContact C-N 3.34Å; A166-K170 WeakPolarHBondContact O-CB 3.34Å; A166-K170 WeakPolarHBondContact O-CG 3.39Å; A166-K170 PolarHBondContact O-N 3.47Å; A166-K170 VanDerWaalsContact O-N 3.12Å
167I88.5Confident84.2Confident22 Ų2281.7 Ų81.711%0.11339%0.393CS..Hα-helixtrans-63.8-40.3173.9-72.5166.7000110.9I147 L150 T163 A164 K170 R171I147-I167 HydrophobicContact CG2-CG2 4.38Å; L150-I167 HydrophobicContact CB-CD1 3.91Å; L150-I167 HydrophobicContact CB-CG1 3.65Å; L150-I167 HydrophobicContact CD1-CG1 3.97Å; L150-I167 HydrophobicContact CG-CG1 4.47Å; T163-I167 HydrophobicContact CG2-CD1 4.25Å; T163-I167 VanDerWaalsContact O-CG1 3.31Å; T163-I167 WeakPolarHBondContact O-CG1 3.43Å; T163-I167 PolarHBondContact O-N 2.83Å; A164-I167 PolarHBondContact O-N 2.72Å; I167-K170 PolarHBondContact O-N 3.45Å; I167-R171 VanDerWaalsContact O-CG 3.25Å; I167-R171 WeakPolarHBondContact O-CG 3.17Å; I167-R171 PolarHBondContact O-N 3.13Å
168D88.8Confident85.3Confident113 Ų11378.5 Ų78.560%0.60439%0.386SS*.Hα-helixtrans-67.5-46.6180-15350.4000111.7A164 S165 A166 K170 R171 Q172A164-D168 PolarHBondContact O-N 2.79Å; A164-D168 VanDerWaalsContact O-N 3.08Å; S165-D168 PolarHBondContact O-N 2.77Å; A166-D168 VanDerWaalsContact C-N 3.34Å; D168-K170 VanDerWaalsContact C-N 3.25Å; D168-K170 PolarHBondContact O-N 3.44Å; D168-R171 WeakPolarHBondContact O-CB 3.31Å; D168-R171 PolarHBondContact O-N 3.43Å; D168-R171 VanDerWaalsContact O-N 3.14Å; D168-Q172 PolarHBondContact O-N 2.82Å
169E87Confident86.2Confident67 Ų6769.5 Ų69.531%0.31335%0.353SS..Hα-helixtrans-58.2-35175-164.8-156.7122.900112.6S165 R173S165-E169 WeakPolarHBondContact O-CB 3.26Å; S165-E169 PolarHBondContact O-N 3.21Å; E169-R173 PolarHBondContact O-N 2.6Å; E169-R173 PolarHBondContact O-NH1 3.01Å; E169-R173 IonicContact OE1-CZ 3.61Å; E169-R173 IonicContact OE1-NH1 2.77Å; E169-R173 PolarHBondContact OE1-NH1 3.04Å; E169-R173 IonicContact OE1-NH2 3.8Å; E169-R173 PolarHBondContact OE1-NH2 3.42Å
170K88.6Confident87Confident29 Ų2965.7 Ų65.713%0.12633%0.334CS..Hα-helixtrans-80.8-32.4177.1-63.7-73172.3164.30112.5Y143 E146 I147 A166 I167 D168 Q172 R173 L174Y143-K170 HydrophobicContact CD1-CD 3.68Å; Y143-K170 HydrophobicContact CE1-CD 3.98Å; E146-K170 WeakPolarHBondContact OE2-CD 3.41Å; E146-K170 WeakPolarHBondContact OE2-CE 3.44Å; E146-K170 IonicContact OE2-NZ 2.64Å; E146-K170 PolarHBondContact OE2-NZ 2.99Å; I147-K170 HydrophobicContact CD1-CB 4.22Å; I147-K170 HydrophobicContact CG1-CB 3.81Å; A166-K170 WeakPolarHBondContact O-CB 3.34Å; A166-K170 WeakPolarHBondContact O-CG 3.39Å; A166-K170 PolarHBondContact O-N 3.47Å; A166-K170 VanDerWaalsContact O-N 3.12Å; I167-K170 PolarHBondContact O-N 3.45Å; D168-K170 VanDerWaalsContact C-N 3.25Å; D168-K170 PolarHBondContact O-N 3.44Å; K170-Q172 VanDerWaalsContact C-N 3.32Å; K170-R173 PolarHBondContact O-N 2.98Å; K170-L174 WeakPolarHBondContact O-CB 3.47Å; K170-L174 PolarHBondContact O-N 2.89Å
171R89.6Confident87.5Confident136 Ų13663.2 Ų63.251%0.51332%0.321SS..Hα-helixtrans-62.9-39.5170.6-77.4172.4178.5-69.7-10112.1I147 I167 D168 L174 E175I147-R171 HydrophobicContact CD1-CG 3.75Å; I147-R171 HydrophobicContact CG1-CG 4.4Å; I167-R171 VanDerWaalsContact O-CG 3.25Å; I167-R171 WeakPolarHBondContact O-CG 3.17Å; I167-R171 PolarHBondContact O-N 3.13Å; D168-R171 WeakPolarHBondContact O-CB 3.31Å; D168-R171 PolarHBondContact O-N 3.43Å; D168-R171 VanDerWaalsContact O-N 3.14Å; R171-L174 WeakPolarHBondContact O-CB 3.26Å; R171-L174 PolarHBondContact O-N 3.32Å; R171-E175 PolarHBondContact O-N 3.29Å
172Q86.4Confident87.7Confident80 Ų8059.5 Ų59.537%0.37431%0.307SS..Hα-helixtrans-66.4-40.4177.4-176.4163.674.400112.5D168 K170 E175 M176 F221D168-Q172 PolarHBondContact O-N 2.82Å; K170-Q172 VanDerWaalsContact C-N 3.32Å; Q172-E175 PolarHBondContact O-N 3.5Å; Q172-M176 PolarHBondContact O-N 2.97Å; Q172-M176 VanDerWaalsContact O-N 3.09Å; Q172-F221 VanDerWaalsContact CD-CZ 3.47Å; Q172-F221 HydrophobicContact CG-CE1 4.43Å; Q172-F221 HydrophobicContact CG-CZ 4.45Å; Q172-F221 VanDerWaalsContact OE1-CZ 3.24Å
173R83.7Confident87.9Confident22 Ų2253 Ų538%0.08328%0.276CS..Hα-helixtrans-62.7-43.5170.3-70.5-169.1-173.482.8-7.8112Y143 E169 K170 E175 M176 C177 S215 D216Y143-R173 HydrophobicContact CD2-CB 3.85Å; Y143-R173 HydrophobicContact CE1-CB 4.46Å; Y143-R173 HydrophobicContact CE2-CB 3.74Å; Y143-R173 HydrophobicContact CE2-CG 4.47Å; Y143-R173 HydrophobicContact CG-CB 4.29Å; Y143-R173 WeakPolarHBondContact OH-CD 3.44Å; E169-R173 PolarHBondContact O-N 2.6Å; E169-R173 PolarHBondContact O-NH1 3.01Å; E169-R173 IonicContact OE1-CZ 3.61Å; E169-R173 IonicContact OE1-NH1 2.77Å; E169-R173 PolarHBondContact OE1-NH1 3.04Å; E169-R173 IonicContact OE1-NH2 3.8Å; E169-R173 PolarHBondContact OE1-NH2 3.42Å; K170-R173 PolarHBondContact O-N 2.98Å; R173-E175 PolarHBondContact O-N 3.12Å; R173-M176 WeakPolarHBondContact O-CB 3.29Å; R173-M176 PolarHBondContact O-N 2.6Å; R173-C177 PolarHBondContact O-N 3.25Å; R173-C177 PolarHBondContact O-SG 2.93Å; R173-S215 VanDerWaalsContact CD-O 3.28Å; R173-S215 WeakPolarHBondContact CD-O 3.46Å; R173-S215 PolarHBondContact NE-O 3.36Å; R173-D216 IonicContact CZ-OD1 2.6Å; R173-D216 IonicContact NE-OD1 2.82Å; R173-D216 IonicContact NH2-OD1 2.66Å
174L88.4Confident88.2Confident27 Ų2751.5 Ų51.514%0.14127%0.267CS..Hα-helixtrans-59.3-45.2177-18063.7000112.3T140 E144 I147 K170 R171 M176 C177 C178T140-L174 HydrophobicContact CG2-CD1 3.51Å; E144-L174 HydrophobicContact CG-CD1 3.78Å; E144-L174 HydrophobicContact CG-CD2 3.77Å; E144-L174 HydrophobicContact CG-CG 4.46Å; I147-L174 HydrophobicContact CD1-CD2 3.99Å; K170-L174 WeakPolarHBondContact O-CB 3.47Å; K170-L174 PolarHBondContact O-N 2.89Å; R171-L174 WeakPolarHBondContact O-CB 3.26Å; R171-L174 PolarHBondContact O-N 3.32Å; L174-M176 VanDerWaalsContact C-N 3.32Å; L174-M176 PolarHBondContact O-N 2.98Å; L174-C177 PolarHBondContact O-N 3.15Å; L174-C178 PolarHBondContact O-N 3.39Å; L174-C178 PolarHBondContact O-SG 3.1Å; L174-C178 VanDerWaalsContact O-SG 3.36Å
175E88.4Confident88.3Confident144 Ų14452.2 Ų52.267%0.67326%0.262SS*.Hα-helixtrans-59.7-41.7174.5-174.8176.2-170.900111.7R171 Q172 R173 C178 F179R171-E175 PolarHBondContact O-N 3.29Å; Q172-E175 PolarHBondContact O-N 3.5Å; R173-E175 PolarHBondContact O-N 3.12Å; E175-C178 PolarHBondContact O-N 3.21Å; E175-F179 WeakPolarHBondContact O-CB 3.47Å; E175-F179 PolarHBondContact O-N 2.66Å
176M85.7Confident88.3Confident25 Ų2549.7 Ų49.712%0.12324%0.243CC..Hα-helixtrans-65.7-45.1176.6-165.363.784.400112.2Q172 R173 L174 C178 F179 H180 M220Q172-M176 PolarHBondContact O-N 2.97Å; Q172-M176 VanDerWaalsContact O-N 3.09Å; R173-M176 WeakPolarHBondContact O-CB 3.29Å; R173-M176 PolarHBondContact O-N 2.6Å; L174-M176 VanDerWaalsContact C-N 3.32Å; L174-M176 PolarHBondContact O-N 2.98Å; M176-C178 VanDerWaalsContact C-N 3.35Å; M176-C178 PolarHBondContact O-N 3.23Å; M176-F179 PolarHBondContact O-N 2.75Å; M176-F179 HydrophobicContact SD-CD1 4.36Å; M176-H180 PolarHBondContact O-CD2 3.15Å; M176-H180 PolarHBondContact O-N 2.88Å; M176-M220 HydrophobicContact CB-SD 4.49Å; M176-M220 HydrophobicContact CG-CE 4.12Å; M176-M220 HydrophobicContact CG-CG 4.36Å; M176-M220 HydrophobicContact CG-SD 4.15Å
177C87.8Confident88.3Confident1 Ų148.2 Ų48.21%0.00723%0.232CC..Hα-helixtrans-57.3-46.8175.4-65.90000111.5R173 L174 H180 V181R173-C177 PolarHBondContact O-N 3.25Å; R173-C177 PolarHBondContact O-SG 2.93Å; L174-C177 PolarHBondContact O-N 3.15Å; C177-H180 PolarHBondContact O-N 3.11Å; C177-V181 WeakPolarHBondContact O-CG2 3.42Å; C177-V181 PolarHBondContact O-N 3.41Å
178C89Confident88.2Confident64 Ų6449.5 Ų49.543%0.43224%0.238SC..Hα-helixtrans-62.3-41.4176.5-70.10000112.8L174 E175 M176 V181 E182L174-C178 PolarHBondContact O-N 3.39Å; L174-C178 PolarHBondContact O-SG 3.1Å; L174-C178 VanDerWaalsContact O-SG 3.36Å; E175-C178 PolarHBondContact O-N 3.21Å; M176-C178 VanDerWaalsContact C-N 3.35Å; M176-C178 PolarHBondContact O-N 3.23Å; C178-V181 PolarHBondContact O-N 2.89Å; C178-E182 PolarHBondContact O-N 3.24Å
179F88.9Confident88Confident38 Ų3848.1 Ų48.117%0.16722%0.224CC..Hα-helixtrans-61.1-45.8175.4172.8-99000112.1E175 M176 E182 K183 K224 Y227E175-F179 WeakPolarHBondContact O-CB 3.47Å; E175-F179 PolarHBondContact O-N 2.66Å; M176-F179 PolarHBondContact O-N 2.75Å; M176-F179 HydrophobicContact SD-CD1 4.36Å; F179-E182 PolarHBondContact O-N 3.36Å; F179-K183 HydrophobicContact CE1-CG 4.22Å; F179-K183 HydrophobicContact CE2-CD 4.4Å; F179-K183 HydrophobicContact CE2-CG 4.07Å; F179-K183 HydrophobicContact CZ-CD 4.48Å; F179-K183 HydrophobicContact CZ-CG 3.89Å; F179-K183 PolarHBondContact O-N 3.01Å; F179-K183 VanDerWaalsContact O-N 3.09Å; F179-K224 HydrophobicContact CE1-CD 4.48Å; F179-K224 HydrophobicContact CE1-CG 3.78Å; F179-K224 HydrophobicContact CZ-CD 4.27Å; F179-K224 HydrophobicContact CZ-CG 3.73Å; F179-Y227 HydrophobicContact CD1-CE2 4.46Å; F179-Y227 AromaticContact CE1-CD2 3.83Å; F179-Y227 HydrophobicContact CE1-CD2 3.83Å; F179-Y227 AromaticContact CE1-CE2 3.82Å; F179-Y227 HydrophobicContact CE1-CE2 3.82Å; F179-Y227 HydrophobicContact CZ-CD2 4.15Å
180H89.1Confident87.8Confident2 Ų245.7 Ų45.71%0.00921%0.213CC..Hα-helixtrans-63.1-43.1175.8-72.1-68.3000111.4L136 M176 C177 E182 K183 L184 Y227L136-H180 HydrophobicContact CD1-CB 3.64Å; L136-H180 HydrophobicContact CD2-CB 4.34Å; M176-H180 PolarHBondContact O-CD2 3.15Å; M176-H180 PolarHBondContact O-N 2.88Å; C177-H180 PolarHBondContact O-N 3.11Å; H180-E182 PolarHBondContact O-N 3.21Å; H180-K183 PolarHBondContact O-N 2.89Å; H180-L184 WeakPolarHBondContact O-CB 3.38Å; H180-L184 VanDerWaalsContact O-CG 3.24Å; H180-L184 WeakPolarHBondContact O-CG 3.27Å; H180-L184 PolarHBondContact O-N 3.06Å; H180-Y227 AromaticContact CE1-CE2 3.91Å; H180-Y227 AromaticContact ND1-CE2 3.4Å; H180-Y227 WeakPolarHBondContact ND1-CE2 3.44Å; H180-Y227 AromaticContact ND1-CZ 3.55Å; H180-Y227 PolarHBondContact ND1-OH 2.98Å
181V90.1Very high87.6Confident17 Ų1744.6 Ų44.610%0.10321%0.209CC..Hα-helixtrans-58.7-44.4175.6170.90000112I133 L136 C177 C178 K183 L184 E185I133-V181 HydrophobicContact CG2-CG1 4.3Å; L136-V181 HydrophobicContact CB-CG2 3.6Å; L136-V181 HydrophobicContact CD1-CG2 4.08Å; C177-V181 WeakPolarHBondContact O-CG2 3.42Å; C177-V181 PolarHBondContact O-N 3.41Å; C178-V181 PolarHBondContact O-N 2.89Å; V181-K183 PolarHBondContact O-N 2.81Å; V181-L184 PolarHBondContact O-N 3.32Å; V181-E185 WeakPolarHBondContact O-CB 3.48Å; V181-E185 PolarHBondContact O-N 3.01Å
182E89.6Confident87.3Confident112 Ų11242.4 Ų42.452%0.52321%0.207SC..Hα-helixtrans-61.5-43.3177.3-177.2179.8-16000112.4C178 F179 H180 T186C178-E182 PolarHBondContact O-N 3.24Å; F179-E182 PolarHBondContact O-N 3.36Å; H180-E182 PolarHBondContact O-N 3.21Å; E182-T186 WeakPolarHBondContact O-CB 3.49Å; E182-T186 PolarHBondContact O-N 3.36Å; E182-T186 VanDerWaalsContact O-N 3.11Å; E182-T186 PolarHBondContact O-OG1 2.93Å
183K88.8Confident87Confident29 Ų2941 Ų4113%0.12620%0.202CC..Hα-helixtrans-70.4-38.1177.9-65-51.9-160.6-1750112F179 H180 V181 T186 I187 Y227 L232 D233F179-K183 HydrophobicContact CE1-CG 4.22Å; F179-K183 HydrophobicContact CE2-CD 4.4Å; F179-K183 HydrophobicContact CE2-CG 4.07Å; F179-K183 HydrophobicContact CZ-CD 4.48Å; F179-K183 HydrophobicContact CZ-CG 3.89Å; F179-K183 PolarHBondContact O-N 3.01Å; F179-K183 VanDerWaalsContact O-N 3.09Å; H180-K183 PolarHBondContact O-N 2.89Å; V181-K183 PolarHBondContact O-N 2.81Å; K183-T186 WeakPolarHBondContact O-CB 3.43Å; K183-T186 PolarHBondContact O-N 2.83Å; K183-I187 WeakPolarHBondContact O-CD1 3.38Å; K183-I187 VanDerWaalsContact O-CG1 3.32Å; K183-I187 WeakPolarHBondContact O-CG1 3.32Å; K183-I187 PolarHBondContact O-N 2.86Å; K183-Y227 HydrophobicContact CB-CD1 3.96Å; K183-Y227 HydrophobicContact CB-CD2 3.94Å; K183-Y227 HydrophobicContact CB-CE1 3.78Å; K183-Y227 HydrophobicContact CB-CE2 3.74Å; K183-Y227 HydrophobicContact CB-CG 4.03Å; K183-Y227 HydrophobicContact CG-CD2 3.78Å; K183-Y227 HydrophobicContact CG-CE2 3.91Å; K183-Y227 HydrophobicContact CG-CG 4.1Å; K183-L232 HydrophobicContact CB-CD1 4.05Å; K183-L232 HydrophobicContact CD-CD1 3.92Å; K183-L232 HydrophobicContact CG-CD1 4.37Å; K183-D233 IonicContact NZ-OD1 3.89Å; K183-D233 PolarHBondContact NZ-OD1 3.08Å; K183-D233 IonicContact NZ-OD2 2.69Å
184L91.2Very high86.8Confident0 Ų046.7 Ų46.70%023%0.229CC..Hα-helixtrans-67.4-42.8174.7-64.5179000112.5L129 C132 I133 L136 H180 V181 T186 I187 M188 I208 Y227L129-L184 HydrophobicContact CD2-CB 4.35Å; L129-L184 HydrophobicContact CD2-CD2 3.72Å; C132-L184 HydrophobicContact CB-CD1 3.76Å; I133-L184 HydrophobicContact CD1-CB 3.91Å; I133-L184 HydrophobicContact CG1-CB 3.69Å; I133-L184 HydrophobicContact CG1-CD1 3.96Å; L136-L184 HydrophobicContact CD1-CD1 3.58Å; H180-L184 WeakPolarHBondContact O-CB 3.38Å; H180-L184 VanDerWaalsContact O-CG 3.24Å; H180-L184 WeakPolarHBondContact O-CG 3.27Å; H180-L184 PolarHBondContact O-N 3.06Å; V181-L184 PolarHBondContact O-N 3.32Å; L184-T186 PolarHBondContact O-N 3.4Å; L184-I187 HydrophobicContact CD2-CD1 4.22Å; L184-I187 PolarHBondContact O-N 3.08Å; L184-M188 WeakPolarHBondContact O-CB 3.48Å; L184-M188 PolarHBondContact O-N 2.98Å; L184-I208 HydrophobicContact CD2-CD1 3.81Å; L184-I208 HydrophobicContact CD2-CG2 4.36Å; L184-Y227 HydrophobicContact CD2-CE1 4.49Å
185E90.2Very high86.1Confident60 Ų6049.7 Ų49.728%0.2824%0.239SC..Hα-helixtrans-55.7-37170.7-92.7-157.9-160.100111.5I133 V181 R189 R690I133-E185 HydrophobicContact CD1-CG 4.45Å; V181-E185 WeakPolarHBondContact O-CB 3.48Å; V181-E185 PolarHBondContact O-N 3.01Å; E185-R189 WeakPolarHBondContact O-CB 3.28Å; E185-R189 PolarHBondContact O-N 2.81Å; E185-R189 VanDerWaalsContact O-N 3.08Å; E185-R189 IonicContact OE2-NH2 3.66Å; E185-R189 PolarHBondContact OE2-NH2 2.89Å; E185-R690 IonicContact OE1-NH1 3.87Å; E185-R690 PolarHBondContact OE1-NH1 3.38Å; E185-R690 IonicContact OE2-CZ 2.69Å; E185-R690 IonicContact OE2-NH1 2.73Å; E185-R690 PolarHBondContact OE2-NH1 2.87Å
186T86.6Confident85.7Confident25 Ų2543.5 Ų43.515%0.15321%0.21CC..Hα-helixtrans-74.9-39.8180-60.60000112E182 K183 L184 R189 L190E182-T186 WeakPolarHBondContact O-CB 3.49Å; E182-T186 PolarHBondContact O-N 3.36Å; E182-T186 VanDerWaalsContact O-N 3.11Å; E182-T186 PolarHBondContact O-OG1 2.93Å; K183-T186 WeakPolarHBondContact O-CB 3.43Å; K183-T186 PolarHBondContact O-N 2.83Å; L184-T186 PolarHBondContact O-N 3.4Å; T186-R189 PolarHBondContact O-N 3.07Å; T186-R189 PolarHBondContact OG1-NH1 3.17Å; T186-L190 HydrophobicContact CG2-CD1 4.12Å; T186-L190 WeakPolarHBondContact O-CB 3.44Å; T186-L190 VanDerWaalsContact O-CG 3.28Å; T186-L190 WeakPolarHBondContact O-CG 3.43Å; T186-L190 PolarHBondContact O-N 3.22Å
187I88.7Confident85.5Confident0 Ų046.3 Ų46.30%023%0.226CC..Hα-helixtrans-60.1-48.5171.6-72.1158.6000110.8L129 K183 L184 R189 L190 L191 L196 V201 I204 Y227 L230 L232L129-I187 HydrophobicContact CD1-CG2 3.84Å; L129-I187 HydrophobicContact CD2-CG2 4.02Å; K183-I187 WeakPolarHBondContact O-CD1 3.38Å; K183-I187 VanDerWaalsContact O-CG1 3.32Å; K183-I187 WeakPolarHBondContact O-CG1 3.32Å; K183-I187 PolarHBondContact O-N 2.86Å; L184-I187 HydrophobicContact CD2-CD1 4.22Å; L184-I187 PolarHBondContact O-N 3.08Å; I187-R189 VanDerWaalsContact C-N 3.34Å; I187-R189 PolarHBondContact O-N 3.35Å; I187-L190 PolarHBondContact O-N 2.9Å; I187-L190 VanDerWaalsContact O-N 3.11Å; I187-L191 HydrophobicContact CG2-CD1 4.33Å; I187-L191 PolarHBondContact O-N 3.24Å; I187-L196 HydrophobicContact CB-CD2 4.43Å; I187-L196 HydrophobicContact CG1-CD2 4.28Å; I187-L196 HydrophobicContact CG2-CD2 4Å; I187-V201 HydrophobicContact CG2-CG1 3.84Å; I187-V201 HydrophobicContact CG2-CG2 3.79Å; I187-I204 HydrophobicContact CD1-CD1 3.66Å; I187-Y227 HydrophobicContact CD1-CD1 3.82Å; I187-Y227 HydrophobicContact CD1-CE1 3.66Å; I187-L230 HydrophobicContact CD1-CD1 3.71Å; I187-L230 HydrophobicContact CG1-CD1 4Å; I187-L232 HydrophobicContact CD1-CD1 4.14Å; I187-L232 HydrophobicContact CG1-CD1 3.92Å; I187-L232 HydrophobicContact CG1-CD2 3.77Å
188M86.7Confident85.2Confident48 Ų4846.6 Ų46.624%0.23623%0.228CC..Hα-helixtrans-56.6-47.8177.4-167.8176.171.300110.7L129 K130 I133 L184 L190 L191 D192L129-M188 HydrophobicContact CD1-CB 4.01Å; L129-M188 HydrophobicContact CD1-CG 4.41Å; K130-M188 HydrophobicContact CG-SD 4.32Å; I133-M188 HydrophobicContact CD1-SD 4.44Å; L184-M188 WeakPolarHBondContact O-CB 3.48Å; L184-M188 PolarHBondContact O-N 2.98Å; M188-L190 VanDerWaalsContact C-N 3.33Å; M188-L190 PolarHBondContact O-N 3.26Å; M188-L191 PolarHBondContact O-N 3.12Å; M188-D192 WeakPolarHBondContact O-CB 3.21Å; M188-D192 PolarHBondContact O-N 3.28Å
189R83.4Confident85Confident85 Ų8547.6 Ų47.632%0.32123%0.232SC..Hα-helixtrans-62.8-33.2176.1-164.3-175.5-51115.211.7113.5E185 T186 I187 N193E185-R189 WeakPolarHBondContact O-CB 3.28Å; E185-R189 PolarHBondContact O-N 2.81Å; E185-R189 VanDerWaalsContact O-N 3.08Å; E185-R189 IonicContact OE2-NH2 3.66Å; E185-R189 PolarHBondContact OE2-NH2 2.89Å; T186-R189 PolarHBondContact O-N 3.07Å; T186-R189 PolarHBondContact OG1-NH1 3.17Å; I187-R189 VanDerWaalsContact C-N 3.34Å; I187-R189 PolarHBondContact O-N 3.35Å; R189-N193 WeakPolarHBondContact O-CB 3.5Å; R189-N193 PolarHBondContact O-N 3.03Å; R189-N193 PolarHBondContact O-ND2 3.41Å
190L83.4Confident84.7Confident15 Ų1549.7 Ų49.78%0.07924%0.241CC..Hα-helixtrans-79.6-32.6177.7-71.5169.8000112.8T186 I187 M188 E194 R195 L196 L232 L235T186-L190 HydrophobicContact CG2-CD1 4.12Å; T186-L190 WeakPolarHBondContact O-CB 3.44Å; T186-L190 VanDerWaalsContact O-CG 3.28Å; T186-L190 WeakPolarHBondContact O-CG 3.43Å; T186-L190 PolarHBondContact O-N 3.22Å; I187-L190 PolarHBondContact O-N 2.9Å; I187-L190 VanDerWaalsContact O-N 3.11Å; M188-L190 VanDerWaalsContact C-N 3.33Å; M188-L190 PolarHBondContact O-N 3.26Å; L190-E194 PolarHBondContact O-N 3.32Å; L190-R195 HydrophobicContact CB-CB 4.49Å; L190-R195 HydrophobicContact CD2-CB 3.8Å; L190-R195 PolarHBondContact O-N 3.44Å; L190-L196 HydrophobicContact CB-CB 3.78Å; L190-L196 HydrophobicContact CB-CD2 4.4Å; L190-L196 PolarHBondContact O-N 2.92Å; L190-L232 HydrophobicContact CD1-CD2 3.79Å; L190-L235 HydrophobicContact CD1-CB 4.29Å; L190-L235 HydrophobicContact CD2-CB 4.18Å
191L85Confident84.5Confident7 Ų749.6 Ų49.64%0.03724%0.241CC..Hα-helixtrans-64.6-47.7168.4-78.8172.8000110.9K122 L125 L129 I187 M188 N193 E194 V201K122-L191 WeakPolarHBondContact CE-O 3.36Å; K122-L191 PolarHBondContact NZ-O 2.95Å; L125-L191 HydrophobicContact CB-CD1 4.18Å; L129-L191 HydrophobicContact CD1-CD1 3.61Å; I187-L191 HydrophobicContact CG2-CD1 4.33Å; I187-L191 PolarHBondContact O-N 3.24Å; M188-L191 PolarHBondContact O-N 3.12Å; L191-N193 VanDerWaalsContact C-N 3.3Å; L191-N193 PolarHBondContact O-N 3.19Å; L191-E194 PolarHBondContact O-N 3.46Å; L191-V201 HydrophobicContact CD1-CB 4.49Å; L191-V201 HydrophobicContact CD1-CG1 4.3Å; L191-V201 HydrophobicContact CD1-CG2 4.06Å; L191-V201 HydrophobicContact CD2-CG2 3.9Å; L191-V201 HydrophobicContact CG-CG2 4.04Å
192D82.6Confident84.2Confident90 Ų9053.5 Ų53.548%0.48125%0.254SS..Hα-helixtrans-54.4-47.1177.4-92.4-20.9000111.7K122 M188 E194K122-D192 PolarHBondContact NZ-O 3.06Å; M188-D192 WeakPolarHBondContact O-CB 3.21Å; M188-D192 PolarHBondContact O-N 3.28Å; D192-E194 PolarHBondContact O-N 2.86Å
193N80.5Confident84Confident51 Ų5152.4 Ų52.427%0.27326%0.258SS..THydrogen-bonded Turntrans-80.99178-74.8-74.9000114.8R189 L191 R195 C695R189-N193 WeakPolarHBondContact O-CB 3.5Å; R189-N193 PolarHBondContact O-N 3.03Å; R189-N193 PolarHBondContact O-ND2 3.41Å; L191-N193 VanDerWaalsContact C-N 3.3Å; L191-N193 PolarHBondContact O-N 3.19Å; N193-R195 HydrophobicContact CB-CG 4.44Å; N193-R195 PolarHBondContact O-N 3.2Å; N193-R195 VanDerWaalsContact O-N 3.08Å; N193-C695 PolarHBondContact OD1-SG 3.32Å
194E78.8Confident83.9Confident140 Ų14051.4 Ų51.465%0.65425%0.254SS*.THydrogen-bonded Turntrans56.326.3177.8-58.3179.4-177.100113.8K122 L190 L191 D192K122-E194 IonicContact NZ-OE1 3.91Å; L190-E194 PolarHBondContact O-N 3.32Å; L191-E194 PolarHBondContact O-N 3.46Å; D192-E194 PolarHBondContact O-N 2.86Å
195R74.6Confident83.6Confident91 Ų9153.7 Ų53.734%0.34327%0.265SS..  trans-93.2-18.4179-77.2-176.7174.8-100.5-3.6113.5L190 N193 L235 N707L190-R195 HydrophobicContact CB-CB 4.49Å; L190-R195 HydrophobicContact CD2-CB 3.8Å; L190-R195 PolarHBondContact O-N 3.44Å; N193-R195 HydrophobicContact CB-CG 4.44Å; N193-R195 PolarHBondContact O-N 3.2Å; N193-R195 VanDerWaalsContact O-N 3.08Å; R195-L235 HydrophobicContact CB-CD2 4.29Å; R195-L235 VanDerWaalsContact O-CD2 3.27Å; R195-L235 WeakPolarHBondContact O-CD2 3.37Å; R195-N707 PolarHBondContact NH2-OD1 3.16Å
196L78.8Confident83.3Confident13 Ų1358.6 Ų58.67%0.06829%0.288CS..SBendtrans-120.7135.7176.3-173.860.8000109.4I187 L190 K200 V201 L230 L232I187-L196 HydrophobicContact CB-CD2 4.43Å; I187-L196 HydrophobicContact CG1-CD2 4.28Å; I187-L196 HydrophobicContact CG2-CD2 4Å; L190-L196 HydrophobicContact CB-CB 3.78Å; L190-L196 HydrophobicContact CB-CD2 4.4Å; L190-L196 PolarHBondContact O-N 2.92Å; L196-K200 HydrophobicContact CD1-CB 4.11Å; L196-K200 HydrophobicContact CD1-CD 3.8Å; L196-V201 HydrophobicContact CD2-CG2 3.57Å; L196-V201 HydrophobicContact CG-CG2 3.89Å; L196-L230 HydrophobicContact CD1-CD2 4.44Å; L196-L232 HydrophobicContact CD2-CD2 4.41Å
197D81.4Confident83.2Confident84 Ų8459.7 Ų59.745%0.44930%0.296SS..  trans-82143.1-179.4-177.126.7000111.4T199 K200 V201D197-T199 PolarHBondContact O-N 3.42Å; D197-T199 WeakPolarHBondContact OD2-CB 3.38Å; D197-T199 WeakPolarHBondContact OD2-CG2 3.22Å; D197-T199 PolarHBondContact OD2-OG1 3.27Å; D197-K200 WeakPolarHBondContact O-CB 3.23Å; D197-K200 PolarHBondContact O-N 3.25Å; D197-K200 VanDerWaalsContact O-N 3.12Å; D197-V201 PolarHBondContact O-N 3.22Å
198C83Confident82.9Confident7 Ų759.8 Ų59.85%0.04730%0.297CS..Hα-helixtrans-60.9-32.8-178.4-66.30000111.8E121 L125 K200 V201 R202E121-C198 HydrophobicContact CG-CB 3.72Å; L125-C198 HydrophobicContact CD1-CB 3.58Å; C198-K200 VanDerWaalsContact C-N 3.32Å; C198-K200 PolarHBondContact O-N 3.44Å; C198-V201 PolarHBondContact O-N 2.93Å; C198-R202 PolarHBondContact O-N 2.82Å
199T83.3Confident82.9Confident85 Ų8561.1 Ų61.152%0.52130%0.303SS..Hα-helixtrans-59.6-40.4176.869.80000112.5D197 R202 S203D197-T199 PolarHBondContact O-N 3.42Å; D197-T199 WeakPolarHBondContact OD2-CB 3.38Å; D197-T199 WeakPolarHBondContact OD2-CG2 3.22Å; D197-T199 PolarHBondContact OD2-OG1 3.27Å; T199-R202 PolarHBondContact O-N 3.21Å; T199-S203 PolarHBondContact O-N 3.44Å; T199-S203 PolarHBondContact O-OG 3.17Å
200K83.4Confident82.8Confident82 Ų8262.2 Ų62.236%0.35731%0.308SS..Hα-helixtrans-68.2-35.2178.1-73.3-168.8162.1-1420112.6L196 D197 C198 S203 D229 L230L196-K200 HydrophobicContact CD1-CB 4.11Å; L196-K200 HydrophobicContact CD1-CD 3.8Å; D197-K200 WeakPolarHBondContact O-CB 3.23Å; D197-K200 PolarHBondContact O-N 3.25Å; D197-K200 VanDerWaalsContact O-N 3.12Å; C198-K200 VanDerWaalsContact C-N 3.32Å; C198-K200 PolarHBondContact O-N 3.44Å; K200-S203 WeakPolarHBondContact CA-OG 3.48Å; K200-S203 PolarHBondContact O-N 3.08Å; K200-S203 PolarHBondContact O-OG 3.1Å; K200-D229 PolarHBondContact NZ-O 3.31Å; K200-L230 HydrophobicContact CB-CD2 3.85Å
201V85.4Confident82.6Confident0 Ų061.7 Ų61.70%031%0.305CS..Hα-helixtrans-75.4-33.5178.3-172.70000111.1L125 W128 I187 L191 L196 D197 C198 S203 I204L125-V201 HydrophobicContact CD1-CB 4.27Å; L125-V201 HydrophobicContact CD2-CB 4.39Å; L125-V201 HydrophobicContact CD2-CG1 4.1Å; W128-V201 HydrophobicContact CZ3-CG1 4.03Å; I187-V201 HydrophobicContact CG2-CG1 3.84Å; I187-V201 HydrophobicContact CG2-CG2 3.79Å; L191-V201 HydrophobicContact CD1-CB 4.49Å; L191-V201 HydrophobicContact CD1-CG1 4.3Å; L191-V201 HydrophobicContact CD1-CG2 4.06Å; L191-V201 HydrophobicContact CD2-CG2 3.9Å; L191-V201 HydrophobicContact CG-CG2 4.04Å; L196-V201 HydrophobicContact CD2-CG2 3.57Å; L196-V201 HydrophobicContact CG-CG2 3.89Å; D197-V201 PolarHBondContact O-N 3.22Å; C198-V201 PolarHBondContact O-N 2.93Å; V201-S203 VanDerWaalsContact C-N 3.33Å; V201-S203 PolarHBondContact O-N 2.9Å; V201-I204 HydrophobicContact CG1-CD1 4.34Å; V201-I204 WeakPolarHBondContact O-CG1 3.34Å; V201-I204 PolarHBondContact O-N 3.14Å
202R83.9Confident82.5Confident100 Ų10062.1 Ų62.138%0.37731%0.307SS..Hα-helixtrans-61.6-38.1169.4-71.4-168.1-170.5-81.86.5112.7E121 E124 L125 C198 T199 I204 Q205E121-R202 IonicContact OE1-CZ 3.53Å; E121-R202 IonicContact OE1-NE 2.7Å; E121-R202 PolarHBondContact OE1-NE 2.97Å; E121-R202 IonicContact OE1-NH2 2.89Å; E121-R202 PolarHBondContact OE1-NH2 3.39Å; E124-R202 IonicContact OE2-NH2 2.66Å; L125-R202 HydrophobicContact CD1-CG 4.49Å; L125-R202 HydrophobicContact CD2-CG 3.99Å; C198-R202 PolarHBondContact O-N 2.82Å; T199-R202 PolarHBondContact O-N 3.21Å; R202-I204 PolarHBondContact O-N 2.85Å; R202-Q205 VanDerWaalsContact O-CB 3.29Å; R202-Q205 WeakPolarHBondContact O-CB 3.09Å; R202-Q205 PolarHBondContact O-N 3.43Å; R202-Q205 VanDerWaalsContact O-N 3.13Å
203S85.6Confident82.2Confident89 Ų8964.2 Ų64.262%0.62232%0.318SS*.THydrogen-bonded Turntrans-67.6-15.9-178.744.30000115.6T199 K200 V201T199-S203 PolarHBondContact O-N 3.44Å; T199-S203 PolarHBondContact O-OG 3.17Å; K200-S203 WeakPolarHBondContact CA-OG 3.48Å; K200-S203 PolarHBondContact O-N 3.08Å; K200-S203 PolarHBondContact O-OG 3.1Å; V201-S203 VanDerWaalsContact C-N 3.33Å; V201-S203 PolarHBondContact O-N 2.9Å
204I85.5Confident81.5Confident7 Ų763.3 Ų63.34%0.03632%0.316CS..THydrogen-bonded Turntrans-97.2-5.8174.259166.2000113.3I187 V201 R202 S207 I208 I226 L230I187-I204 HydrophobicContact CD1-CD1 3.66Å; V201-I204 HydrophobicContact CG1-CD1 4.34Å; V201-I204 WeakPolarHBondContact O-CG1 3.34Å; V201-I204 PolarHBondContact O-N 3.14Å; R202-I204 PolarHBondContact O-N 2.85Å; I204-S207 PolarHBondContact O-N 3.35Å; I204-I208 HydrophobicContact CB-CD1 3.9Å; I204-I208 HydrophobicContact CD1-CD1 3.4Å; I204-I208 VanDerWaalsContact CD1-CD1 3.4Å; I204-I208 HydrophobicContact CG1-CD1 3.73Å; I204-I208 PolarHBondContact O-N 3.29Å; I204-I226 HydrophobicContact CB-CG2 3.8Å; I204-I226 HydrophobicContact CG2-CG2 3.7Å; I204-L230 HydrophobicContact CD1-CD1 3.6Å; I204-L230 HydrophobicContact CG2-CD1 4.17Å; I204-L230 HydrophobicContact CG2-CD2 4.16Å; I204-L230 HydrophobicContact CG2-CG 4.28Å
205Q85.8Confident80.5Confident48 Ų4857.3 Ų57.322%0.22429%0.289CS..Hα-helixtrans-59.8-56.4-169.5173.51635.100112.5W128 R202 S207 I208 E209W128-Q205 HydrophobicContact CH2-CB 4.16Å; W128-Q205 HydrophobicContact CH2-CG 4.35Å; W128-Q205 HydrophobicContact CZ2-CB 3.91Å; W128-Q205 HydrophobicContact CZ2-CG 3.64Å; R202-Q205 VanDerWaalsContact O-CB 3.29Å; R202-Q205 WeakPolarHBondContact O-CB 3.09Å; R202-Q205 PolarHBondContact O-N 3.43Å; R202-Q205 VanDerWaalsContact O-N 3.13Å; Q205-S207 PolarHBondContact O-N 2.82Å; Q205-I208 PolarHBondContact O-N 3.21Å; Q205-I208 VanDerWaalsContact O-N 3.13Å; Q205-E209 HydrophobicContact CG-CG 4.47Å; Q205-E209 VanDerWaalsContact CG-OE1 3.27Å; Q205-E209 WeakPolarHBondContact CG-OE1 3.05Å; Q205-E209 PolarHBondContact NE2-OE1 2.88Å; Q205-E209 WeakPolarHBondContact O-CG 3.48Å; Q205-E209 PolarHBondContact O-N 3.12Å
206E83.7Confident79.7Confident163 Ų16357.2 Ų57.276%0.76230%0.295SS*.Hα-helixtrans-58.6-36.9-179.6-61.4-177.7176.400111.8Y210E206-Y210 VanDerWaalsContact O-CB 3.32Å; E206-Y210 WeakPolarHBondContact O-CB 3.43Å; E206-Y210 PolarHBondContact O-N 3.44Å
207S83Confident78.6Confident48 Ų4861 Ų6134%0.33632%0.316SS..Hα-helixtrans-68.1-36.9178.8-52.50000112.8I204 Q205 V211I204-S207 PolarHBondContact O-N 3.35Å; Q205-S207 PolarHBondContact O-N 2.82Å; S207-V211 WeakPolarHBondContact O-CG2 3.49Å; S207-V211 PolarHBondContact O-N 3.39Å; S207-V211 VanDerWaalsContact O-N 3.15Å
208I84.2Confident77.2Confident3 Ų363 Ų632%0.01532%0.322CS..Hα-helixtrans-76.8-40.1177.7-73.5157000111W128 C132 L184 I204 Q205 Y210 V211 I212 I226 Y227W128-I208 HydrophobicContact CH2-CB 4.21Å; W128-I208 HydrophobicContact CH2-CD1 3.89Å; W128-I208 HydrophobicContact CH2-CG2 4.19Å; W128-I208 HydrophobicContact CZ2-CB 4.19Å; W128-I208 HydrophobicContact CZ2-CG2 4.07Å; C132-I208 HydrophobicContact CB-CG2 4.41Å; L184-I208 HydrophobicContact CD2-CD1 3.81Å; L184-I208 HydrophobicContact CD2-CG2 4.36Å; I204-I208 HydrophobicContact CB-CD1 3.9Å; I204-I208 HydrophobicContact CD1-CD1 3.4Å; I204-I208 VanDerWaalsContact CD1-CD1 3.4Å; I204-I208 HydrophobicContact CG1-CD1 3.73Å; I204-I208 PolarHBondContact O-N 3.29Å; Q205-I208 PolarHBondContact O-N 3.21Å; Q205-I208 VanDerWaalsContact O-N 3.13Å; I208-Y210 VanDerWaalsContact C-N 3.32Å; I208-Y210 PolarHBondContact O-N 2.86Å; I208-V211 PolarHBondContact O-N 3.36Å; I208-I212 HydrophobicContact CG2-CD1 3.99Å; I208-I212 WeakPolarHBondContact O-CG1 3.45Å; I208-I212 PolarHBondContact O-N 3.01Å; I208-I226 HydrophobicContact CG1-CG2 4.45Å; I208-Y227 HydrophobicContact CD1-CE1 4.16Å
209E85.7Confident75.6Confident75 Ų7565.9 Ų65.935%0.3534%0.342SS..Hα-helixtrans-60.6-43.1172.9-71.4174-174.600110.6W128 Q205 V211 I212 D213W128-E209 HydrophobicContact CZ2-CG 4.44Å; W128-E209 PolarHBondContact NE1-OE1 2.95Å; Q205-E209 HydrophobicContact CG-CG 4.47Å; Q205-E209 VanDerWaalsContact CG-OE1 3.27Å; Q205-E209 WeakPolarHBondContact CG-OE1 3.05Å; Q205-E209 PolarHBondContact NE2-OE1 2.88Å; Q205-E209 WeakPolarHBondContact O-CG 3.48Å; Q205-E209 PolarHBondContact O-N 3.12Å; E209-V211 PolarHBondContact O-N 3.17Å; E209-I212 PolarHBondContact O-N 3.05Å; E209-D213 PolarHBondContact O-N 3.44Å
210Y81.7Confident74.1Confident109 Ų10962.9 Ų62.943%0.42732%0.323SS..Hα-helixtrans-59.8-42.6173.1-177.2-89.4000113.1E206 I208 I212 D213 C214 F223E206-Y210 VanDerWaalsContact O-CB 3.32Å; E206-Y210 WeakPolarHBondContact O-CB 3.43Å; E206-Y210 PolarHBondContact O-N 3.44Å; I208-Y210 VanDerWaalsContact C-N 3.32Å; I208-Y210 PolarHBondContact O-N 2.86Å; Y210-I212 VanDerWaalsContact C-N 3.33Å; Y210-I212 PolarHBondContact O-N 3.37Å; Y210-D213 PolarHBondContact O-N 2.92Å; Y210-C214 HydrophobicContact CD1-CB 4.34Å; Y210-C214 HydrophobicContact CE1-CB 3.97Å; Y210-C214 HydrophobicContact CE2-CB 4.45Å; Y210-C214 WeakPolarHBondContact CE2-SG 3.49Å; Y210-C214 VanDerWaalsContact CZ-SG 3.53Å; Y210-C214 WeakPolarHBondContact O-CB 3.44Å; Y210-C214 PolarHBondContact O-N 3.38Å; Y210-F223 HydrophobicContact CD1-CE1 4.09Å; Y210-F223 HydrophobicContact CD1-CE2 4.15Å; Y210-F223 AromaticContact CD1-CZ 3.71Å; Y210-F223 HydrophobicContact CD1-CZ 3.71Å; Y210-F223 HydrophobicContact CE1-CE1 4.23Å; Y210-F223 AromaticContact CE1-CE2 3.77Å; Y210-F223 HydrophobicContact CE1-CE2 3.77Å; Y210-F223 AromaticContact CE1-CZ 3.41Å; Y210-F223 HydrophobicContact CE1-CZ 3.41Å; Y210-F223 VanDerWaalsContact CE1-CZ 3.41Å
211V79.4Confident72.6Confident4 Ų464.1 Ų64.12%0.02433%0.328CS..Hα-helixtrans-61.9-40.3176.4163.20000111.9S207 I208 E209 M220 F223 I226S207-V211 WeakPolarHBondContact O-CG2 3.49Å; S207-V211 PolarHBondContact O-N 3.39Å; S207-V211 VanDerWaalsContact O-N 3.15Å; I208-V211 PolarHBondContact O-N 3.36Å; E209-V211 PolarHBondContact O-N 3.17Å; V211-M220 HydrophobicContact CG1-CE 4.14Å; V211-F223 HydrophobicContact CG2-CB 3.55Å; V211-F223 HydrophobicContact CG2-CD1 4.15Å; V211-F223 HydrophobicContact CG2-CD2 4Å; V211-F223 HydrophobicContact CG2-CG 3.61Å; V211-I226 HydrophobicContact CG2-CD1 3.99Å
212I81.4Confident71.3Confident15 Ų1569.8 Ų69.88%0.07736%0.359CS..Hα-helixtrans-67.8-47.8179-70.6168.2000110.6C132 S135 L136 Q139 I208 E209 Y210C132-I212 HydrophobicContact CB-CD1 3.77Å; S135-I212 VanDerWaalsContact OG-CG2 3.28Å; S135-I212 WeakPolarHBondContact OG-CG2 3.35Å; L136-I212 HydrophobicContact CD2-CG1 3.98Å; L136-I212 HydrophobicContact CG-CD1 4.31Å; L136-I212 HydrophobicContact CG-CG1 4.06Å; Q139-I212 PolarHBondContact NE2-O 2.89Å; I208-I212 HydrophobicContact CG2-CD1 3.99Å; I208-I212 WeakPolarHBondContact O-CG1 3.45Å; I208-I212 PolarHBondContact O-N 3.01Å; E209-I212 PolarHBondContact O-N 3.05Å; Y210-I212 VanDerWaalsContact C-N 3.33Å; Y210-I212 PolarHBondContact O-N 3.37Å
213D76.3Confident70.4Confident135 Ų13567.4 Ų67.472%0.72235%0.351SS*.Hα-helixtrans-72-38.1-177.7-80.1-2.6000112.8E209 Y210 S215E209-D213 PolarHBondContact O-N 3.44Å; Y210-D213 PolarHBondContact O-N 2.92Å; D213-S215 VanDerWaalsContact C-N 3.29Å; D213-S215 PolarHBondContact O-N 3.29Å
214C66.3Low69.6Low32 Ų3268.5 Ų68.522%0.21635%0.345CS..THydrogen-bonded Turntrans-89.725.1-176.6-68.80000114.5Y210 D216 N217Y210-C214 HydrophobicContact CD1-CB 4.34Å; Y210-C214 HydrophobicContact CE1-CB 3.97Å; Y210-C214 HydrophobicContact CE2-CB 4.45Å; Y210-C214 WeakPolarHBondContact CE2-SG 3.49Å; Y210-C214 VanDerWaalsContact CZ-SG 3.53Å; Y210-C214 WeakPolarHBondContact O-CB 3.44Å; Y210-C214 PolarHBondContact O-N 3.38Å; C214-D216 PolarHBondContact O-N 3.16Å; C214-N217 HydrophobicContact CB-CB 4.42Å; C214-N217 WeakPolarHBondContact O-CB 3.33Å; C214-N217 PolarHBondContact O-N 3.14Å
215S59.1Low68.9Low13 Ų1373.1 Ų73.19%0.09137%0.369CS..THydrogen-bonded Turntrans-55.7-17.5-173.855.70000116.8Y143 R173 D213Y143-S215 PolarHBondContact OH-O 3.21Å; R173-S215 VanDerWaalsContact CD-O 3.28Å; R173-S215 WeakPolarHBondContact CD-O 3.46Å; R173-S215 PolarHBondContact NE-O 3.36Å; D213-S215 VanDerWaalsContact C-N 3.29Å; D213-S215 PolarHBondContact O-N 3.29Å
216D57.2Low68.5Low90 Ų9072 Ų7248%0.48137%0.365SS..THydrogen-bonded Turntrans-99.3-1.6174.8-75.2-41.6000114.6K142 R173 C214K142-D216 IonicContact NZ-OD2 3.61Å; R173-D216 IonicContact CZ-OD1 2.6Å; R173-D216 IonicContact NE-OD1 2.82Å; R173-D216 IonicContact NH2-OD1 2.66Å; C214-D216 PolarHBondContact O-N 3.16Å
217N55.2Low68.5Low93 Ų9364.5 Ų64.550%0.49733%0.329SS..  trans-84.5128.3179.3-81.7-38.8000113.6C214 S219 M220C214-N217 HydrophobicContact CB-CB 4.42Å; C214-N217 WeakPolarHBondContact O-CB 3.33Å; C214-N217 PolarHBondContact O-N 3.14Å; N217-S219 PolarHBondContact O-N 3.38Å; N217-M220 PolarHBondContact O-N 3.45Å
218Q51.5Low68.2Low125 Ų12566.9 Ų66.958%0.58434%0.338SS*.THydrogen-bonded Turntrans-61.1-12.7-177.7-162.36763.200115.4M220Q218-M220 PolarHBondContact O-N 3.12Å
219S50.9Low67.6Low67 Ų6773.3 Ų73.347%0.46937%0.373SS..THydrogen-bonded Turntrans-76.69179.5-155.60000114.3N217 F221N217-S219 PolarHBondContact O-N 3.38Å; S219-F221 PolarHBondContact O-N 3.01Å; S219-F221 VanDerWaalsContact O-N 3.11Å
220M50.6Low66.8Low23 Ų2369.8 Ų69.811%0.11336%0.357CS..G310 helixtrans-65.1-16.9-166.6-155.1176.4-162.800115.2M176 V211 N217 Q218 D222M176-M220 HydrophobicContact CB-SD 4.49Å; M176-M220 HydrophobicContact CG-CE 4.12Å; M176-M220 HydrophobicContact CG-CG 4.36Å; M176-M220 HydrophobicContact CG-SD 4.15Å; V211-M220 HydrophobicContact CG1-CE 4.14Å; N217-M220 PolarHBondContact O-N 3.45Å; Q218-M220 PolarHBondContact O-N 3.12Å; M220-D222 PolarHBondContact O-N 3.29Å
221F52.4Low65.9Low107 Ų10767.2 Ų67.247%0.46935%0.354SS..G310 helixtrans-67.4-32.8-172.9-68.1-84.3000114.7Q172 S219 F223Q172-F221 VanDerWaalsContact CD-CZ 3.47Å; Q172-F221 HydrophobicContact CG-CE1 4.43Å; Q172-F221 HydrophobicContact CG-CZ 4.45Å; Q172-F221 VanDerWaalsContact OE1-CZ 3.24Å; S219-F221 PolarHBondContact O-N 3.01Å; S219-F221 VanDerWaalsContact O-N 3.11Å; F221-F223 PolarHBondContact O-N 3.38Å
222D57.1Low65.2Low120 Ų12067.3 Ų67.364%0.64235%0.354SS*.G310 helixtrans-71.5-14.6-172.4-59.9-38.9000112.9M220 K224M220-D222 PolarHBondContact O-N 3.29Å; D222-K224 VanDerWaalsContact C-N 3.35Å; D222-K224 PolarHBondContact O-N 2.79Å
223F65.1Low64.1Low49 Ų4972 Ų7222%0.21538%0.379CS..G310 helixtrans-84.3-1.4-174.6-60.8-63.3000115Y210 V211 F221 N225 I226Y210-F223 HydrophobicContact CD1-CE1 4.09Å; Y210-F223 HydrophobicContact CD1-CE2 4.15Å; Y210-F223 AromaticContact CD1-CZ 3.71Å; Y210-F223 HydrophobicContact CD1-CZ 3.71Å; Y210-F223 HydrophobicContact CE1-CE1 4.23Å; Y210-F223 AromaticContact CE1-CE2 3.77Å; Y210-F223 HydrophobicContact CE1-CE2 3.77Å; Y210-F223 AromaticContact CE1-CZ 3.41Å; Y210-F223 HydrophobicContact CE1-CZ 3.41Å; Y210-F223 VanDerWaalsContact CE1-CZ 3.41Å; V211-F223 HydrophobicContact CG2-CB 3.55Å; V211-F223 HydrophobicContact CG2-CD1 4.15Å; V211-F223 HydrophobicContact CG2-CD2 4Å; V211-F223 HydrophobicContact CG2-CG 3.61Å; F221-F223 PolarHBondContact O-N 3.38Å; F223-N225 PolarHBondContact O-N 2.78Å; F223-I226 HydrophobicContact CB-CD1 3.73Å; F223-I226 HydrophobicContact CB-CG1 4.33Å; F223-I226 HydrophobicContact CD1-CD1 3.92Å; F223-I226 HydrophobicContact CD1-CG1 4.37Å; F223-I226 HydrophobicContact CG-CD1 4.24Å; F223-I226 WeakPolarHBondContact O-CD1 3.32Å; F223-I226 VanDerWaalsContact O-CG1 3.29Å; F223-I226 WeakPolarHBondContact O-CG1 3.48Å; F223-I226 PolarHBondContact O-N 3.07Å
224K70.2Confident63.1Low112 Ų11273.1 Ų73.149%0.48738%0.38SS..G310 helixtrans-59.8-32.7172.6-172.9160.3-171.5165.40112.1F179 D222 I226F179-K224 HydrophobicContact CE1-CD 4.48Å; F179-K224 HydrophobicContact CE1-CG 3.78Å; F179-K224 HydrophobicContact CZ-CD 4.27Å; F179-K224 HydrophobicContact CZ-CG 3.73Å; D222-K224 VanDerWaalsContact C-N 3.35Å; D222-K224 PolarHBondContact O-N 2.79Å; K224-I226 VanDerWaalsContact C-N 3.33Å; K224-I226 PolarHBondContact O-N 3.2Å
225N69.8Low62.4Low104 Ų10474 Ų7456%0.55638%0.383SS*.G310 helixtrans-81.9-3.6-173-58.717.3000113.8F223 Y227 D228F223-N225 PolarHBondContact O-N 2.78Å; N225-Y227 PolarHBondContact O-N 2.95Å; N225-Y227 VanDerWaalsContact O-N 3.08Å; N225-D228 WeakPolarHBondContact CB-OD2 3.49Å; N225-D228 WeakPolarHBondContact O-CB 3.42Å; N225-D228 PolarHBondContact O-N 2.98Å; N225-D228 VanDerWaalsContact O-N 3.1Å
226I77.9Confident61.7Low24 Ų2475.2 Ų75.212%0.12340%0.397CS..G310 helixtrans-53.9-31.4176.3-65.5167.1000111.3I204 I208 V211 F223 K224I204-I226 HydrophobicContact CB-CG2 3.8Å; I204-I226 HydrophobicContact CG2-CG2 3.7Å; I208-I226 HydrophobicContact CG1-CG2 4.45Å; V211-I226 HydrophobicContact CG2-CD1 3.99Å; F223-I226 HydrophobicContact CB-CD1 3.73Å; F223-I226 HydrophobicContact CB-CG1 4.33Å; F223-I226 HydrophobicContact CD1-CD1 3.92Å; F223-I226 HydrophobicContact CD1-CG1 4.37Å; F223-I226 HydrophobicContact CG-CD1 4.24Å; F223-I226 WeakPolarHBondContact O-CD1 3.32Å; F223-I226 VanDerWaalsContact O-CG1 3.29Å; F223-I226 WeakPolarHBondContact O-CG1 3.48Å; F223-I226 PolarHBondContact O-N 3.07Å; K224-I226 VanDerWaalsContact C-N 3.33Å; K224-I226 PolarHBondContact O-N 3.2Å
227Y82.6Confident60.9Low6 Ų676 Ų762%0.02440%0.402CS..G310 helixtrans-86.5-7.1-174.9-57.8-64.3000114.5F179 H180 K183 L184 I187 I208 N225 L230 L232F179-Y227 HydrophobicContact CD1-CE2 4.46Å; F179-Y227 AromaticContact CE1-CD2 3.83Å; F179-Y227 HydrophobicContact CE1-CD2 3.83Å; F179-Y227 AromaticContact CE1-CE2 3.82Å; F179-Y227 HydrophobicContact CE1-CE2 3.82Å; F179-Y227 HydrophobicContact CZ-CD2 4.15Å; H180-Y227 AromaticContact CE1-CE2 3.91Å; H180-Y227 AromaticContact ND1-CE2 3.4Å; H180-Y227 WeakPolarHBondContact ND1-CE2 3.44Å; H180-Y227 AromaticContact ND1-CZ 3.55Å; H180-Y227 PolarHBondContact ND1-OH 2.98Å; K183-Y227 HydrophobicContact CB-CD1 3.96Å; K183-Y227 HydrophobicContact CB-CD2 3.94Å; K183-Y227 HydrophobicContact CB-CE1 3.78Å; K183-Y227 HydrophobicContact CB-CE2 3.74Å; K183-Y227 HydrophobicContact CB-CG 4.03Å; K183-Y227 HydrophobicContact CG-CD2 3.78Å; K183-Y227 HydrophobicContact CG-CE2 3.91Å; K183-Y227 HydrophobicContact CG-CG 4.1Å; L184-Y227 HydrophobicContact CD2-CE1 4.49Å; I187-Y227 HydrophobicContact CD1-CD1 3.82Å; I187-Y227 HydrophobicContact CD1-CE1 3.66Å; I208-Y227 HydrophobicContact CD1-CE1 4.16Å; N225-Y227 PolarHBondContact O-N 2.95Å; N225-Y227 VanDerWaalsContact O-N 3.08Å; Y227-L230 HydrophobicContact CD1-CD1 4.02Å; Y227-L230 WeakPolarHBondContact O-CB 3.48Å; Y227-L230 PolarHBondContact O-N 3.48Å; Y227-L232 HydrophobicContact CD1-CD1 3.93Å; Y227-L232 HydrophobicContact CG-CD1 4.15Å
228D77.5Confident60.3Low98 Ų9874.9 Ų74.952%0.52440%0.401SS..G310 helixtrans-66.3-43.1-173.5-63.9-6.4000110.9N225 L230 C231N225-D228 WeakPolarHBondContact CB-OD2 3.49Å; N225-D228 WeakPolarHBondContact O-CB 3.42Å; N225-D228 PolarHBondContact O-N 2.98Å; N225-D228 VanDerWaalsContact O-N 3.1Å; D228-L230 PolarHBondContact O-N 2.83Å; D228-L230 VanDerWaalsContact O-N 3.09Å; D228-C231 PolarHBondContact O-N 3.25Å
229D71.4Confident59.6Low138 Ų13873.9 Ų73.974%0.73840%0.403SS*.G310 helixtrans-64-14177.5-74.5-27.3000114.4K200K200-D229 PolarHBondContact NZ-O 3.31Å
230L68.4Low58.6Low2 Ų273.5 Ų73.51%0.0141%0.41CS..G310 helixtrans-90.3-12.9176.4-52.8177.7000112.8I187 L196 K200 I204 Y227 D228 L232I187-L230 HydrophobicContact CD1-CD1 3.71Å; I187-L230 HydrophobicContact CG1-CD1 4Å; L196-L230 HydrophobicContact CD1-CD2 4.44Å; K200-L230 HydrophobicContact CB-CD2 3.85Å; I204-L230 HydrophobicContact CD1-CD1 3.6Å; I204-L230 HydrophobicContact CG2-CD1 4.17Å; I204-L230 HydrophobicContact CG2-CD2 4.16Å; I204-L230 HydrophobicContact CG2-CG 4.28Å; Y227-L230 HydrophobicContact CD1-CD1 4.02Å; Y227-L230 WeakPolarHBondContact O-CB 3.48Å; Y227-L230 PolarHBondContact O-N 3.48Å; D228-L230 PolarHBondContact O-N 2.83Å; D228-L230 VanDerWaalsContact O-N 3.09Å; L230-L232 HydrophobicContact CB-CD2 3.66Å; L230-L232 HydrophobicContact CB-CG 3.84Å; L230-L232 HydrophobicContact CD1-CD1 4.34Å; L230-L232 HydrophobicContact CD1-CD2 4.09Å; L230-L232 HydrophobicContact CD1-CG 4.3Å; L230-L232 PolarHBondContact O-N 2.99Å
231C63.9Low57.8Low54 Ų5479.4 Ų79.437%0.36544%0.441SS..THydrogen-bonded Turntrans50.635.9-175.3-58.50000113.8D228 D233 E234 L235D228-C231 PolarHBondContact O-N 3.25Å; C231-D233 PolarHBondContact O-N 3Å; C231-E234 HydrophobicContact CB-CB 4.31Å; C231-E234 PolarHBondContact O-N 3.03Å; C231-L235 HydrophobicContact CB-CD1 3.75Å; C231-L235 VanDerWaalsContact O-CD1 3.23Å; C231-L235 WeakPolarHBondContact O-CD1 3.35Å; C231-L235 PolarHBondContact O-N 3.35Å; C231-L235 VanDerWaalsContact O-N 3.08Å
232L63.6Low56.7Low6 Ų679.6 Ų79.63%0.03145%0.451CS..Hα-helixtrans-53.4-35.2-171.9-60.5-177000113K183 I187 L190 L196 Y227 L230 G236K183-L232 HydrophobicContact CB-CD1 4.05Å; K183-L232 HydrophobicContact CD-CD1 3.92Å; K183-L232 HydrophobicContact CG-CD1 4.37Å; I187-L232 HydrophobicContact CD1-CD1 4.14Å; I187-L232 HydrophobicContact CG1-CD1 3.92Å; I187-L232 HydrophobicContact CG1-CD2 3.77Å; L190-L232 HydrophobicContact CD1-CD2 3.79Å; L196-L232 HydrophobicContact CD2-CD2 4.41Å; Y227-L232 HydrophobicContact CD1-CD1 3.93Å; Y227-L232 HydrophobicContact CG-CD1 4.15Å; L230-L232 HydrophobicContact CB-CD2 3.66Å; L230-L232 HydrophobicContact CB-CG 3.84Å; L230-L232 HydrophobicContact CD1-CD1 4.34Å; L230-L232 HydrophobicContact CD1-CD2 4.09Å; L230-L232 HydrophobicContact CD1-CG 4.3Å; L230-L232 PolarHBondContact O-N 2.99Å; L232-G236 PolarHBondContact O-N 3.02Å
233D60Low55.3Low114 Ų11478.1 Ų78.161%0.6146%0.455SS*.Hα-helixtrans-76.6-30.9-176.6-60.7-3.4000111.5K183 C231 D237K183-D233 IonicContact NZ-OD1 3.89Å; K183-D233 PolarHBondContact NZ-OD1 3.08Å; K183-D233 IonicContact NZ-OD2 2.69Å; C231-D233 PolarHBondContact O-N 3Å; D233-D237 PolarHBondContact O-N 3.04Å
234E54.3Low53.6Low158 Ų15880.3 Ų80.374%0.73848%0.483SS*.Hα-helixtrans-79.5-29.4176-157.3177.2-143.900112.2C231C231-E234 HydrophobicContact CB-CB 4.31Å; C231-E234 PolarHBondContact O-N 3.03Å
235L51.3Low51.6Low51 Ų5180.1 Ų80.127%0.26750%0.495SS..Hα-helixtrans-82-22.9173.1-78.487.8000113.4L190 R195 C231L190-L235 HydrophobicContact CD1-CB 4.29Å; L190-L235 HydrophobicContact CD2-CB 4.18Å; R195-L235 HydrophobicContact CB-CD2 4.29Å; R195-L235 VanDerWaalsContact O-CD2 3.27Å; R195-L235 WeakPolarHBondContact O-CD2 3.37Å; C231-L235 HydrophobicContact CB-CD1 3.75Å; C231-L235 VanDerWaalsContact O-CD1 3.23Å; C231-L235 WeakPolarHBondContact O-CD1 3.35Å; C231-L235 PolarHBondContact O-N 3.35Å; C231-L235 VanDerWaalsContact O-N 3.08Å
236G44.7Very low49.6Very low39 Ų3978.7 Ų78.740%0.40251%0.505SS..Hα-helixtrans-77.3-42.4177.100000114L232 S238L232-G236 PolarHBondContact O-N 3.02Å; G236-S238 PolarHBondContact O-N 3.36Å; G236-S238 VanDerWaalsContact O-N 3.07Å
237D40Very low47.1Very low106 Ų10683.9 Ų83.957%0.56754%0.538SS*.THydrogen-bonded Turntrans-8519.6-163.2-132.728.4000115.3D233 T239D233-D237 PolarHBondContact O-N 3.04Å; D237-T239 PolarHBondContact O-N 3.22Å
238S43.4Very low44.6Very low70 Ų7088.3 Ų88.349%0.4958%0.576SS.*THydrogen-bonded Turntrans-66.2-14.5172.5-71.10000113.4G236 G240G236-S238 PolarHBondContact O-N 3.36Å; G236-S238 VanDerWaalsContact O-N 3.07Å; S238-G240 PolarHBondContact O-N 2.86Å
239T37.6Very low42.2Very low103 Ų10389.4 Ų89.463%0.63259%0.586SS**SBendtrans-84.177.8166.338.80000111.1D237 I241D237-T239 PolarHBondContact O-N 3.22Å; T239-I241 PolarHBondContact O-N 2.89Å
240G29.5Very low40.2Very low59 Ų5986.6 Ų86.661%0.60859%0.59SS**  trans-63124.7-178.800000113.9S238S238-G240 PolarHBondContact O-N 2.86Å
241I33.1Very low38.3Very low147 Ų14792.6 Ų92.675%0.75462%0.622SS**  -15787.5118.3-83.5141.3000106.8T239T239-I241 PolarHBondContact O-N 2.89Å
242T28.7Very low36.7Very low111 Ų11198.3 Ų98.368%0.68164%0.643SS**  trans-75.7128.3151.936.50000107.4A244T242-A244 PolarHBondContact O-N 2.98Å
243A28.5Very low35.1Very low89 Ų89106.5 Ų106.574%0.73668%0.681SS**  trans-77.670.6-171.400000112.2S245A243-S245 PolarHBondContact O-N 2.97Å
244A28.6Very low33.7Very low96 Ų96109.6 Ų109.679%0.79369%0.692SS**  trans-72.149.7172.300000112.9T242 G246T242-A244 PolarHBondContact O-N 2.98Å; A244-G246 PolarHBondContact O-N 3.43Å
245S29Very low32.6Very low108 Ų108107.7 Ų107.776%0.75569%0.687SS**  trans-66.1109.1149.3-74.60000105.9A243A243-S245 PolarHBondContact O-N 2.97Å
246G26.9Very low31.7Very low73 Ų73112.5 Ų112.575%0.75371%0.712SS**  cis9229.538.900000111A244A244-G246 PolarHBondContact O-N 3.43Å
247T27.1Very low31.1Very low133 Ų133118.1 Ų118.182%0.81673%0.733SS**  trans-134.961.1-178-37.80000110.8
248A29.1Very low30.6Very low100 Ų100116.2 Ų116.283%0.82674%0.738SS**  trans-129.120.5176.400000113.2G250A248-G250 VanDerWaalsContact C-N 3.32Å; A248-G250 PolarHBondContact O-N 2.85Å
249T27Very low29.9Very low121 Ų121119.1 Ų119.174%0.74275%0.753SS**  trans-91.566.1175.8-36.60000110.6N251T249-N251 PolarHBondContact O-N 2.69Å
250G30.7Very low29.6Very low79 Ų79121.2 Ų121.281%0.81476%0.759SS**  trans-7683.2175.800000111.9A248 Q252A248-G250 VanDerWaalsContact C-N 3.32Å; A248-G250 PolarHBondContact O-N 2.85Å; G250-Q252 PolarHBondContact O-N 2.73Å
251N27.8Very low29.7Very low128 Ų128124.7 Ų124.768%0.68477%0.768SS**  trans-68.7118.4175.4-69.6-5.1000111.7T249T249-N251 PolarHBondContact O-N 2.69Å
252Q30.8Very low29.9Very low173 Ų173123.8 Ų123.881%0.80877%0.772SS**  -172.6110118.4-104.515283.900114.2G250G250-Q252 PolarHBondContact O-N 2.73Å
253E29.6Very low30.2Very low178 Ų178121.7 Ų121.783%0.83277%0.773SS**  21.4106.1128.8-59.9173.9135.300119.6
254H29.1Very low30.6Very low180 Ų180123.7 Ų123.783%0.83378%0.776SS**  trans179145.2136.8-100.1-73000106.7
255D31.5Very low30.9Very low117 Ų117124.4 Ų124.463%0.62677%0.77SS**  cis-167.6166.4-19.3-149.9-27.8000108.3
256L33.8Very low31.2Very low153 Ų153126.6 Ų126.680%0.80177%0.773SS**  trans159.490.2145.5-90.7163.6000112.1
257N31.8Very low31.6Very low157 Ų157128.5 Ų128.584%0.8477%0.769SS**SBend-174.996.6119.5-97-24.7000112.9
258G28.8Very low31.9Very low66 Ų66128 Ų12868%0.6876%0.762SS**  trans87141.7171.600000114.3
259V28.4Very low32.2Very low131 Ų131130.7 Ų130.779%0.79476%0.757SS**  cis-151123.113.2164.80000111.5
260I32.6Very low32.6Very low147 Ų147136.4 Ų136.475%0.75477%0.765SS**  trans70103.4150.2-66.6173.2000120.5
261T31.7Very low32.8Very low131 Ų131139.5 Ų139.580%0.80477%0.768SS**  88.1143.8129.6-61.30000121.7
262P36.5Very low33.3Very low128 Ų128136.8 Ų136.883%0.83177%0.77SS**  trans-134.3177.3-15443.8-25.8000118.9
263G35Very low33.7Very low68 Ų68133.4 Ų133.470%0.70177%0.765SS**  trans147.2172.2158.100000113.9
264T36.4Very low34.2Very low131 Ų131132.7 Ų132.780%0.80477%0.767SS**  cis175.5135.2-21.5-90.20000107.7
265T36.2Very low34.7Very low110 Ų110131.4 Ų131.468%0.67577%0.767SS**  cis-170.1167.4-16.242.40000109.1
266L35.3Very low35.1Very low154 Ų154130 Ų13081%0.80677%0.771SS**  trans70.7163.7160.4-90.779.5000118.6
267V34Very low35.3Very low113 Ų113126 Ų12669%0.68577%0.768SS**  cis-172.4168-36.4103.70000113.3
268N34.4Very low35.6Very low122 Ų122124.6 Ų124.665%0.65277%0.77SS**  trans84.1116.2155.5-95.3-0.8000125.4
269Q34.7Very low35.9Very low157 Ų157126.6 Ų126.673%0.73477%0.774SS**  39.8135.5120.2-61.5-178.67.100123.5
270R35.6Very low36.5Very low241 Ų241127.4 Ų127.491%0.90978%0.779SS**  -171.2175103-100.3175.8-167.7-143.62.1113.6
271V34Very low36.8Very low145 Ų145124.8 Ų124.888%0.87977%0.773SS**  trans-129.8155.2-169.5175.10000111.1
272G40Very low37Very low70 Ų70123.9 Ų123.972%0.72277%0.768SS**  trans-158163.617000000111.8
273S37.6Very low37.2Very low102 Ų102126.8 Ų126.871%0.71377%0.77SS**  trans-139.7-166.1-170-62.80000112.9
274D40.4Very low37.2Very low163 Ų163129.7 Ų129.787%0.87278%0.775SS**  trans84.8143.2164.7-46.4-21.1000116.2
275D39.6Very low37.4Very low153 Ų153129 Ų12982%0.81878%0.775SS**  cis-162.1176-17.1-177.530.6000109.6
276A40.6Very low37.5Very low87 Ų87128.1 Ų128.172%0.71978%0.779SS**  trans11.2155.2160.300000122.8
277G37Very low37.6Very low71 Ų71125.4 Ų125.473%0.73277%0.773SS**  cis153.7-172.14.100000112.2
278S38.3Very low37.9Very low126 Ų126126.2 Ų126.288%0.88177%0.773SS**  trans98.6158.4170.6-155.50000119.6
279S36.3Very low38.1Very low109 Ų109127.3 Ų127.376%0.76278%0.779SS**  trans-146.9163.7-170.6-47.90000111.3
280T39.9Very low38.4Very low148 Ų148126.4 Ų126.491%0.90879%0.785SS**  trans-164.1168.4159.2-76.50000109.7
281S39.2Very low38.3Very low91 Ų91122 Ų12264%0.63678%0.779SS**  trans-136.6169.7-148.662.70000117.4
282T35.2Very low38.6Very low113 Ų113120.3 Ų120.369%0.69377%0.774SS**  trans60.2134.8147450000122
283H42.1Very low38.4Very low189 Ų189121.5 Ų121.588%0.87577%0.771SS**  -168.7169121.6-96.4-61.2000111.5
284T34.5Very low38.3Very low129 Ų129122.5 Ų122.579%0.79177%0.772SS**  trans-141145.9-160.548.70000115.3
285S40.4Very low38.2Very low116 Ų116121.3 Ų121.381%0.81177%0.771SS**  trans-177.7140.1156.1-78.70000108.3
286A37.9Very low38.1Very low92 Ų92122.1 Ų122.176%0.7677%0.77SS**  69.2132.451.800000113.1
287S39Very low38.1Very low96 Ų96123.9 Ų123.967%0.67177%0.774SS**  cis-169.3-179.51.450.30000112.1
288N39.8Very low37.9Very low130 Ų130123.7 Ų123.770%0.69577%0.772SS**  trans79.3120.8163.3-55.4-30.7000117.9
289N38.2Very low37.9Very low146 Ų146123.6 Ų123.678%0.78177%0.772SS**  70.4133.486.7-57.5-18.6000113.2
290T41.9Very low38.1Very low138 Ų138124.2 Ų124.285%0.84778%0.776SS**  cis-152.6166.146.247.80000115.3
291D32.1Very low37.9Very low147 Ų147121.6 Ų121.679%0.78677%0.769SS**  trans-83.8153.9169.8174.231000113.2
292S40.7Very low38.1Very low111 Ų111121.3 Ų121.378%0.77677%0.767SS**  trans-176.693.9160.9-81.50000115.1
293S35.7Very low38.5Very low95 Ų95120.4 Ų120.466%0.66477%0.765SS**  trans12.3130.3141.9630000123.9
294V36.7Very low38.3Very low122 Ų122118.8 Ų118.874%0.73976%0.763SS**  68.6116.7129.7179.30000121.2
295T38.2Very low38.4Very low139 Ų139117.5 Ų117.585%0.85377%0.765SS**  -169.8158.8120.7150000114.7
296H36.9Very low38.3Very low170 Ų170117.9 Ų117.979%0.78777%0.768SS**  trans-76.4-174.3-177.6-63-83000114.8
297P40.7Very low38.4Very low123 Ų123118.6 Ų118.680%0.79977%0.768SS**  cis-137.4172.4-34.529.5-9.9000115.6
298G33.3Very low38.3Very low68 Ų68119.7 Ų119.770%0.70178%0.775SS**  107.6131.8128.500000120.8
299S37Very low38.3Very low124 Ų124125.4 Ų125.487%0.86779%0.787SS**  trans66151.7164.9-51.10000116.4
300S40.4Very low38.3Very low121 Ų121127.7 Ų127.785%0.84679%0.793SS**  cis-141.2-178.213.6-51.70000112.8
301A35.9Very low38.1Very low93 Ų93133.1 Ų133.177%0.76980%0.798SS**  trans-62176.5174.400000113.8
302S43.2Very low38.7Very low86 Ų86130.9 Ų130.960%0.60180%0.8SS**  cis-169.2154.729.253.70000115.3
303S45.1Very low38.7Very low93 Ų93134.8 Ų134.865%0.6580%0.803SS**  trans57.3145.7140.463.80000121.5
304N37.1Very low39.2Very low156 Ų156135.8 Ų135.883%0.83481%0.81SS**  cis-160.6149.6-7.5-106.8-3.6000109
305A36.2Very low39.3Very low101 Ų101136.9 Ų136.984%0.83581%0.812SS**  trans-107.6145.1162.200000109.8
306S37.9Very low39.6Very low125 Ų125137.9 Ų137.987%0.87481%0.812SS**  trans-114.6115.1-178.1-71.10000111.2
307S39.6Very low39.6Very low107 Ų107138.1 Ų138.175%0.74881%0.811SS**  trans-146.7150.7164.367.60000111.1
308S38Very low39.6Very low119 Ų119139 Ų13983%0.83281%0.814SS**  trans43.6105.9154-56.20000118.7
309R38.9Very low39.5Very low250 Ų250139.6 Ų139.694%0.94381%0.807SS**  trans-123.3100.5164.3-159.2170.4-165.7162.54.8111.2
310E39.2Very low39.6Very low193 Ų193141.9 Ų141.990%0.90281%0.809SS**  trans-64.2151.9172.7-65.8-171.2117.600111.8
311R38.4Very low39.6Very low253 Ų253143.3 Ų143.396%0.95581%0.806SS**  trans-102.583.1-179.1-142178.6-167.7179.74.1110.2
312A43.8Very low40Very low100 Ų100144.3 Ų144.383%0.82681%0.805SS**  trans-65.4145.9168.800000110.7
313K40.2Very low39.8Very low192 Ų192148.4 Ų148.484%0.83581%0.814SS**  trans-104.7127.8-174-173.3178.4-180-179.20109.9
314S46.1Very low39.7Very low116 Ų116149.5 Ų149.581%0.81182%0.816SS**  trans-129.6107.7175.656.70000110.4
315D39Very low39.9Very low145 Ų145147.5 Ų147.578%0.77582%0.815SS**  trans-66.6139.1159.7-69.7-86.3000109.4
316D45.1Very low40.1Very low161 Ų161146.6 Ų146.686%0.86181%0.807SS**  trans-144.2150.8155.6-147.7-28.1000110.5
317K37.4Very low40.2Very low175 Ų175145.8 Ų145.876%0.76180%0.801SS**  trans-13891.6-157.2-179.4-165.8160.5-69.10111.1
318V39Very low40.3Very low142 Ų142145.3 Ų145.386%0.86180%0.798SS**  trans-100.5131.6169.8-176.20000110.5
319S32.9Very low40.3Very low80 Ų80146.1 Ų146.156%0.55980%0.798SS**  trans-128.9134.8176.1169.10000108.4
320L38.9Very low40.4Very low172 Ų172138.5 Ų138.590%0.90178%0.783SS**  trans-137.6149.2156.6-84.5179.3000110.5
321L39.6Very low40.7Very low151 Ų151135.7 Ų135.779%0.79178%0.779SS**  trans-127.4168.8-173.9-99.2173.7000106.3
322P44.6Very low40.9Very low114 Ų114129.3 Ų129.374%0.7477%0.771SS**  -161-177.868.642.6-20000119.2
323H40Very low40.8Very low172 Ų172133.6 Ų133.680%0.79678%0.776SS**  trans72.3119.1150.1-136.1-115000115.6
324V41.3Very low40.7Very low115 Ų115133.1 Ų133.170%0.69777%0.774SS**  cis-153.4-1705.9-108.50000107.7
325S41.6Very low40.4Very low115 Ų115132.7 Ų132.780%0.80477%0.771SS**  cis-158.7-175.519.8-153.30000114.2
326A40.5Very low40.4Very low82 Ų82130.2 Ų130.268%0.67877%0.765SS**  trans-84.1164.2170.100000112.7
327S40.5Very low40.1Very low107 Ų107129 Ų12975%0.74876%0.759SS**  cis-167.7164.4-8.3-107.10000113.4
328S40.8Very low40.4Very low98 Ų98126.9 Ų126.969%0.68576%0.76SS**  trans63.3119.7142.862.90000123.6
329T39.1Very low40.6Very low135 Ų135126.5 Ų126.583%0.82876%0.761SS**  64.6129.2114.9-47.90000119.1
330S41.3Very low40.9Very low90 Ų90126 Ų12663%0.62977%0.768SS**  cis-168.8160.30.348.30000114.9
331T44.2Very low41.1Very low134 Ų134123.2 Ų123.282%0.82276%0.763SS**  trans70.1150.5150.943.50000121.6
332P43.4Very low41.1Very low120 Ų120121.4 Ų121.478%0.77976%0.763SS**  trans-127.7164-167.943.1-28.1000116.8
333M40.7Very low41Very low189 Ų189119.5 Ų119.593%0.93177%0.765SS**  trans-177.1159152.1-100.5174.8-168.300107.2
334K38.6Very low41Very low182 Ų182121 Ų12179%0.79177%0.769SS**  cis171.3153.7-24.9172.4175.1175.1-176.50104.7
335S40Very low41.2Very low107 Ų107125.1 Ų125.175%0.74878%0.78SS**  trans68.2152.2170.157.40000118.5
336S38.4Very low40.8Very low94 Ų94129.1 Ų129.166%0.65778%0.783SS**  cis-169-179.7-24.758.20000111.6
337N40.1Very low41Very low135 Ų135130.5 Ų130.572%0.72279%0.786SS**  trans81.1123.2168.3-50.33.5000115.4
338T42.1Very low40.9Very low130 Ų130130.1 Ų130.180%0.79879%0.789SS**  cis87.5154.630.9820000114
339P44.6Very low40.8Very low134 Ų134130.8 Ų130.887%0.8780%0.8SS**  -138.7-174.9-100.634.5-10.3000117.1
340G39Very low40.7Very low69 Ų69129.5 Ų129.571%0.71180%0.797SS**  trans-170.7139.4166.500000111.4
341S42.2Very low40.6Very low115 Ų115133 Ų13380%0.80481%0.807SS**  83.7130.256.7-161.20000112.3
342S39.8Very low40Very low112 Ų112133.3 Ų133.378%0.78380%0.803SS**  cis-173.8152.8-2.438.90000113.9
343G42.2Very low39.7Very low75 Ų75136.1 Ų136.177%0.77381%0.806SS**  trans100.4160.9154.200000117.5
344K40.8Very low39.5Very low203 Ų203133 Ų13388%0.88380%0.797SS**  cis168.6117.2-25.8-122-172.4-179.3-179.30106.4
345Q44.5Very low39.4Very low202 Ų202128.7 Ų128.794%0.94480%0.796SS**  trans-177.7172.8138.4-101.4170.613.400112.4
346K34.8Very low39.3Very low198 Ų198129.9 Ų129.986%0.86180%0.801SS**  trans-152177-164.8-119.5-165.6176.9-176.90107.5
347P43.9Very low39Very low112 Ų112130 Ų13073%0.72781%0.808SS**  cis-141.5170.210.941.8-22.6000118.9
348A37.7Very low38.9Very low99 Ų99131 Ų13182%0.81881%0.812SS**  trans58.4110.8138.500000123.8
349A40.4Very low38.7Very low112 Ų112133.2 Ų133.293%0.92682%0.816SS**  -151.2171.7128.600000108.9
350S35.9Very low38.3Very low108 Ų108132.9 Ų132.976%0.75582%0.817SS**  trans-111.6148.3-167.4-173.20000114.4
351I38.5Very low38.2Very low163 Ų163138.4 Ų138.484%0.83682%0.824SS**  174.7149.4128.6-89156.8000112.2
352N32.2Very low37.7Very low140 Ų140139.3 Ų139.375%0.74983%0.825SS**  trans-46.6139.3-172-54.6-22000119.2
353Q38.2Very low37.4Very low180 Ų180140.7 Ų140.784%0.84183%0.828SS**  -173.4160.3125.6-109.7167.79600115.7
354T36.4Very low37Very low122 Ų122141.5 Ų141.575%0.74883%0.827SS**  trans57.8117.7157.947.10000122.3
355A35.1Very low36.7Very low92 Ų92135.4 Ų135.476%0.7682%0.822SS**  49.3151.5129.900000122.9
356P38.2Very low36.3Very low132 Ų132132.3 Ų132.386%0.85782%0.817SS**  trans-123144.3132.736.3-29.3000112.3
357A32.7Very low36.3Very low96 Ų96129 Ų12979%0.79382%0.816SS**  trans-113.6137165.900000109.2
358L37.6Very low36Very low157 Ų157131.1 Ų131.182%0.82282%0.821SS**  trans-143.2121.6169.8-100.2172.2000112
359M37.4Very low36Very low176 Ų176135.3 Ų135.387%0.86782%0.821SS**  trans5.5129.7156.8-55.6174.5-172.700119.9
360S36.2Very low35.8Very low128 Ų128135.8 Ų135.890%0.89582%0.817SS**  -151163.1102.6-161.20000111
361Q36.6Very low35.8Very low184 Ų184134.1 Ų134.186%0.8682%0.817SS**  trans-111.5153.7-170.5-76.4-174-22.300114.3
362V31.6Very low35.7Very low135 Ų135135.6 Ų135.682%0.81882%0.818SS**  trans-35.9127.3163.3174.80000113.9
363V35.4Very low35.9Very low141 Ų141136.7 Ų136.786%0.85582%0.823SS**  trans-138.1113146.1-178.10000108.9
364A33.1Very low35.7Very low92 Ų92135.1 Ų135.176%0.7682%0.82SS**  trans-93.9110.6170.200000109.7
365G33.6Very low35.7Very low75 Ų75132.7 Ų132.777%0.77381%0.813SS**  trans-87.3111.6-178.600000112.8
366T36.9Very low35.7Very low136 Ų136134.8 Ų134.883%0.83481%0.811SS**  trans-96.8134166.741.90000110.6
367P35.2Very low35.7Very low128 Ų128134 Ų13483%0.83180%0.8SS**  trans-82.8135.9-175.731.7-34.3000111.9
368N38.1Very low36.1Very low158 Ų158137.1 Ų137.185%0.84580%0.797SS**  trans-143.2156.5164.6-151.9-6.7000112.3
369K36.8Very low36.2Very low186 Ų186134.2 Ų134.281%0.80979%0.79SS**  trans-82.8146.7-166.2-57.7164.4-178170.60111.8
370S37Very low36.2Very low122 Ų122131.6 Ų131.685%0.85378%0.784SS**  163.4148.398.155.10000115.1
371G35.4Very low36.2Very low73 Ų73130.6 Ų130.675%0.75378%0.777SS**  trans79.2151.2166.900000115.9
372K35.6Very low36.3Very low194 Ų194129.4 Ų129.484%0.84378%0.777SS**  cis174.5158.6-22.6-131.3-171.7-179-174.30104
373L37.4Very low36.3Very low164 Ų164128.6 Ų128.686%0.85978%0.777SS**  trans74.4145.8176-50178000114.9
374N33.4Very low36.3Very low146 Ų146129.3 Ų129.378%0.78177%0.774SS**  cis-165.4148.8-20.9-178.643.2000110.8
375A36.7Very low36.3Very low72 Ų72130.6 Ų130.660%0.59577%0.773SS**  trans63.7159.1164.700000117
376N35.2Very low36.5Very low136 Ų136134.9 Ų134.973%0.72778%0.777SS**  cis-156.9152.9-9-13116.1000110.6
377N38.9Very low36.4Very low116 Ų116135 Ų13562%0.6278%0.777SS**  trans62.9148.3158.2-62.63.2000116.8
378H40.9Very low36.7Very low160 Ų160133 Ų13374%0.74177%0.771SS**  cis-154.21682.7-94.8-39.5000106.7
379S38.1Very low36.6Very low97 Ų97133.7 Ų133.768%0.67877%0.77SS**  cis-164.3-165.8-5.6-1070000110.7
380T38.7Very low37Very low121 Ų121133.5 Ų133.574%0.74277%0.774SS**  trans-36.5138.6168.546.80000117
381S36.4Very low36.9Very low107 Ų107131 Ų13175%0.74877%0.767SS**  cis89.4131.342.9-63.40000115.2
382N38.6Very low37.3Very low159 Ų159133.3 Ų133.385%0.8577%0.769SS**  trans-167.1128.7139-103.2-20.7000112.1
383S30.1Very low37.7Very low118 Ų118132 Ų13283%0.82577%0.769SS**  trans-152.7101.9175.1-63.30000111
384I37.2Very low37.5Very low155 Ų155132.8 Ų132.880%0.79577%0.766SS**  trans-146.1113.1174.2-65.5-176.4000104.8
385T32.4Very low37.8Very low119 Ų119131.4 Ų131.473%0.7377%0.765SS**  71.497.563.9-55.20000113.5
386I37.8Very low37.7Very low165 Ų165132.5 Ų132.585%0.84677%0.768SS**  trans-132.9138155.9-65.8-176.4000107.7
387V34.2Very low37.9Very low138 Ų138131.2 Ų131.284%0.83677%0.77SS**  trans-138.1127.5173-176.60000108
388A42.1Very low37.7Very low87 Ų87131.9 Ų131.972%0.71978%0.778SS**  trans-148.6117.3165.800000105.4
389E35.3Very low37.5Very low173 Ų173132.4 Ų132.481%0.80879%0.786SS**  84.1103.561.3-171-179.6179.400112.5
390M46.5Very low37.3Very low182 Ų182135 Ų13590%0.89779%0.792SS**  176.9147.9128.7-92.2175.6-168.300109.6
391G34.7Very low37.2Very low70 Ų70135.2 Ų135.272%0.72280%0.798SS**  trans-84.4-159.1-178.800000113.8
392P43.8Very low37Very low120 Ų120139.2 Ų139.278%0.77981%0.805SS**  -156.6176.453.943.1-21.2000119.5
393I42.6Very low36.8Very low167 Ų167138.4 Ų138.486%0.85681%0.806SS**  trans62.5144159.6-6.1179000123.5
394K33.3Very low36.9Very low180 Ų180137.7 Ų137.778%0.78380%0.796SS**  trans-94.5175164.1-105177-177.7178.60110
395P41.4Very low37.2Very low118 Ų118137 Ų13777%0.76680%0.799SS**  cis-130.5173.140.328.9-5.6000114.3
396S33.3Very low37.5Very low94 Ų94138.3 Ų138.366%0.65780%0.802SS**  cis93.77014.587.60000119.4
397S38.8Very low37.2Very low109 Ų109136.7 Ų136.776%0.76279%0.794SS**  trans-164111.5147.653.40000108.7
398T35.2Very low37.5Very low131 Ų131137.1 Ų137.180%0.80479%0.791SS**  73.1100.672.6-53.40000114
399L38Very low37.2Very low171 Ų171137.2 Ų137.290%0.89579%0.787SS**  trans-179.4132.3130.2-101.6161.8000112
400D33.2Very low37.3Very low151 Ų151139.1 Ų139.181%0.80779%0.787SS**  trans-84.9149.3166.9-71.8-77.7000111.4
401S36.1Very low36.8Very low126 Ų126136.2 Ų136.288%0.88178%0.775SS**  177.3150.3129.9-80.50000112.9
402Q32Very low37Very low191 Ų191139.4 Ų139.489%0.89377%0.771SS**  trans-81145.8174.7-59.7177.4-47.300112.1
403V35.9Very low36.7Very low142 Ų142140.9 Ų140.986%0.86177%0.765SS**  trans-139.3133.2150-176.80000111.5
404V32.1Very low36.4Very low102 Ų102138.7 Ų138.762%0.61876%0.755SS**  trans-34.2138.7171.2-176.50000118.3D406V404-D406 HydrophobicContact CG1-CB 4.3Å; V404-D406 WeakPolarHBondContact CG1-OD2 3.37Å
405V42.3Very low36.6Very low141 Ų141137.7 Ų137.786%0.85575%0.753SS**  -148.8100.4128.6-85.30000106.6
406D38.6Very low36.4Very low147 Ų147137.2 Ų137.279%0.78675%0.748SS**  68.8124.481.8-88.2-40.2000116.2V404V404-D406 HydrophobicContact CG1-CB 4.3Å; V404-D406 WeakPolarHBondContact CG1-OD2 3.37Å
407D32.3Very low36.4Very low130 Ų130139.4 Ų139.470%0.69575%0.752SS**  trans-93.1152.2171165.240.3000109.3
408L39.6Very low36.4Very low147 Ų147142 Ų14277%0.7775%0.753SS**  trans-176.1122.5135.7-121.570.2000112.8
409S37.1Very low36.4Very low90 Ų90144.9 Ų144.963%0.62975%0.754SS**  61.8159.3124.7-75.60000122.7
410R37.3Very low36.5Very low213 Ų213145.3 Ų145.380%0.80475%0.751SS**  cis-174141.2-30.5-155.5-179179.1168.50110.1
411N35Very low36.6Very low120 Ų120144.3 Ų144.364%0.64275%0.745SS**  trans73.1146.6143.5-108.4-11.3000123.6
412Q39.1Very low36.9Very low138 Ų138144.9 Ų144.965%0.64574%0.739SS**  trans72.5148.9146.7-69.7-173.2123.900119.4
413K36.7Very low37Very low151 Ų151146 Ų14666%0.65774%0.735SS**  cis-174.9149.1-21-119.3178.9-168.2159.80108.5
414N36.7Very low37.3Very low121 Ų121144.7 Ų144.765%0.64773%0.729SS**  trans58.2173147.6-67.926.4000116.8
415E37Very low37.3Very low159 Ų159146.4 Ų146.474%0.74374%0.735SS**  cis-144.4176.5-18.5-127.1160.8135.900112
416T38Very low37.1Very low107 Ų107145.8 Ų145.866%0.65673%0.732SS**  trans-50.4154.9-17656.30000120.1
417N34.5Very low37.1Very low140 Ų140144.7 Ų144.775%0.74973%0.73SS**  104.8147.2123.1-101.6-38.6000123.7
418Q37.9Very low37.1Very low165 Ų165144.1 Ų144.177%0.77173%0.732SS**  trans72.5109.1153.5-70.7-179.944.800122.7
419K35.7Very low37.1Very low191 Ų191143.7 Ų143.783%0.8374%0.735SS**  20.3127.4125.7-62.8-179.5176.1-1770118.7
420H40.2Very low36.8Very low180 Ų180147.1 Ų147.183%0.83375%0.746SS**  -149.6172.4101.1-134-95.6000113.2
421N35.6Very low37.2Very low129 Ų129143.3 Ų143.369%0.6975%0.749SS**  trans-93.3167.8-175.3-157.557.8000112.3
422D41.7Very low37.1Very low138 Ų138146.3 Ų146.374%0.73876%0.759SS**  trans137.8146.6136.1-67.7-42.7000116.3
423R34.2Very low37Very low214 Ų214147.7 Ų147.781%0.80877%0.77SS**  trans-108.2150.8-178.3-143.5178.169.2-176.42.7108.2
424P41.4Very low37Very low116 Ų116148.3 Ų148.375%0.75378%0.775SS**  -15017790.937.5-19000115.6
425N32.1Very low37Very low138 Ų138147.1 Ų147.174%0.73878%0.776SS**  trans-89.8138.2175.3-62.6-2.6000111.9
426T37.7Very low37Very low128 Ų128147.7 Ų147.779%0.78578%0.779SS**  trans-150.6117.9156.9-37.10000113.4
427V38.8Very low37Very low123 Ų123149.4 Ų149.475%0.74578%0.783SS**  trans36.9114.1145.4-172.40000121.8
428T33Very low37.4Very low119 Ų119152.2 Ų152.273%0.7379%0.788SS**  29.7122.9128.5-41.60000122.1
429T38.6Very low37.4Very low137 Ų137151.6 Ų151.684%0.8479%0.79SS**  -179.5153.7120.423.20000113.6
430N31.7Very low37.6Very low163 Ų163146 Ų14687%0.87279%0.788SS**  trans-93.9157.2171.9-93.4-1.2000112
431P46.4Very low37.9Very low132 Ų132144.1 Ų144.186%0.85779%0.791SS**  trans-132.6151.914536.7-24.8000114.3
432Q33Very low38Very low184 Ų184141 Ų14186%0.8679%0.789SS**  trans-133.8118.2177.3173.2-167.9-51.100110.3
433L37Very low38.2Very low166 Ų166142 Ų14287%0.86980%0.795SS**  trans-156.1169.6168.9-80.7-178.3000110.6
434Q36.7Very low38.6Very low164 Ų164138.6 Ų138.677%0.76679%0.793SS**  -166.1152.8-89.4-173.7-175.6200110.4
435S36.4Very low38.6Very low96 Ų96137 Ų13767%0.67179%0.785SS**  trans93.2158.2152.282.80000123
436Q37.2Very low39Very low172 Ų172137.5 Ų137.580%0.80479%0.787SS**  trans75.6118.9172.4-49.5-161.215.300117.6
437I38Very low39Very low142 Ų142136.6 Ų136.673%0.72879%0.786SS**  cis97.8112.411.3-51.7169.8000117.2
438K41.4Very low38.9Very low199 Ų199137.6 Ų137.687%0.86579%0.786SS**  trans175.7165.9148-103.1174.2179.4178.60109.4
439N38.2Very low39.3Very low152 Ų152137.8 Ų137.881%0.81379%0.787SS**  -176.7135.9-65-97.515.8000107.8
440G39.6Very low39.9Very low75 Ų75135.8 Ų135.877%0.77378%0.777SS**  trans171.4123.3175.700000114.9
441P47.4Very low40.3Very low139 Ų139137.1 Ų137.190%0.90378%0.775SS**  trans-128174.8-172.143.3-31.6000116.5
442G37.6Very low39.9Very low64 Ų64135.6 Ų135.666%0.6677%0.768SS**  trans157135.615800000117.3
443D45.6Very low40.1Very low160 Ų160132 Ų13286%0.85676%0.763SS**  trans61.3147.7144.9-54.51.2000122.1
444D42.8Very low40.3Very low142 Ų142130.5 Ų130.576%0.75976%0.76SS**  cis-166.2157.5-28.2-153.7-17.2000113.1
445S42Very low40.5Very low83 Ų83128.2 Ų128.258%0.5876%0.763SS**  trans61.4110144.2-79.90000127.9
446N39.8Very low40.6Very low148 Ų148126.7 Ų126.779%0.79176%0.762SS**  78.4145.7114.3-76.1-54000127.8
447S37.4Very low40.8Very low108 Ų108126.3 Ų126.376%0.75576%0.764SS**  trans84.5160.5149.881.60000121.9
448L38.2Very low40.8Very low145 Ų145126.6 Ų126.676%0.75977%0.767SS**  cis-169.3112.5-34-100.8173.2000111.8
449T41.5Very low40.6Very low123 Ų123121.9 Ų121.976%0.75576%0.759SS**  trans60.5-172130.667.80000122.3
450P50.1Low40.6Very low95 Ų95121.3 Ų121.362%0.61776%0.761SS**  -139.5-146.9-103.745.2-22.3000117
451F39.9Very low40.4Very low190 Ų190122.7 Ų122.783%0.83376%0.759SS**  trans84.7153.5177.5-59.2-74000116.5
452S38.5Very low40.1Very low100 Ų100123 Ų12370%0.69976%0.759SS**  cis-162.5133.3-0.628.60000107.9
453S37.9Very low39.9Very low108 Ų108126.3 Ų126.376%0.75577%0.766SS**  77.4109.462.376.50000117.5
454V40.6Very low39.8Very low135 Ų135124 Ų12482%0.81876%0.759SS**  trans-176113156.3135.50000107.1
455S40.8Very low39.5Very low117 Ų117122 Ų12282%0.81876%0.756SS**  67.3127.686.1-53.10000114.9
456G37.9Very low39Very low64 Ų64126.2 Ų126.266%0.6677%0.771SS**  cis171.9-172.8-3.100000112.3
457I41.9Very low38.8Very low164 Ų164123.6 Ų123.684%0.84177%0.77SS**  trans59.7147168.463.1167.3000118.9
458N37.8Very low38.5Very low147 Ų147127.6 Ų127.679%0.78677%0.774SS**  cis-154.5174.7-1.4-125.70.7000113.7
459S36.2Very low38.4Very low101 Ų101126.6 Ų126.671%0.70678%0.78SS**  trans-58.5173.4175.7-47.90000115.2
460T38.9Very low37.9Very low140 Ų140125.1 Ų125.186%0.85978%0.78SS**  cis-167.5170.541.5-36.90000112.6
461S35.8Very low37.4Very low103 Ų103126.4 Ų126.472%0.7279%0.791SS**  trans-102.5146.5-178.456.50000115.9
462T40.1Very low37.2Very low147 Ų147125.4 Ų125.490%0.90279%0.789SS**  trans-157.2149.4155.5-60000115.1
463V34.8Very low37Very low133 Ų133125 Ų12581%0.80678%0.782SS**  trans-135.1158.4159.1-80.30000105.8
464P42.3Very low37Very low112 Ų112129.6 Ų129.673%0.72779%0.788SS**  cis-152.3-163.537.844-21.3000117
465S36.6Very low36.7Very low99 Ų99130 Ų13069%0.69278%0.781SS**  trans60.7116144.9-65.30000124.4
466L32.9Very low36.7Very low171 Ų171132.3 Ų132.390%0.89578%0.784SS**  67.6163.4125.5-64175.1000122.5
467A35.2Very low36.5Very low93 Ų93134 Ų13477%0.76979%0.786SS**  trans82.583.6164.300000119.7
468F31.6Very low36.3Very low192 Ų192131.6 Ų131.684%0.84278%0.784SS**  30.6118.3117-155.8-83.5000119.1
469S35.6Very low36.2Very low125 Ų125130.4 Ų130.487%0.87478%0.781SS**  trans-157134.5147.6-83.10000110.4
470A31.7Very low36.2Very low91 Ų91132 Ų13275%0.75278%0.781SS**  trans-112.4138.3176.400000110.1
471S39.3Very low35.9Very low122 Ų122132.6 Ų132.685%0.85378%0.778SS**  trans-155.6134.9170.858.60000110.5
472H35.6Very low35.9Very low170 Ų170131 Ų13179%0.78778%0.779SS**  cis163.1118.6-22.8166.4-85.7000104.2
473V34.6Very low35.7Very low92 Ų92133.9 Ų133.956%0.55877%0.773SS**  trans62118.1163.5174.40000118.4
474K38Very low35.5Very low204 Ų204134.5 Ų134.589%0.88777%0.767SS**  -136.1113.6107.4-105.3-170.6177-168.20110.9
475E34Very low35.2Very low144 Ų144137.7 Ų137.767%0.67377%0.772SS**  trans-75.8155.6157.9-61172.4100.300108.9
476D41.1Very low35Very low165 Ų165139.1 Ų139.188%0.88277%0.772SS**  trans-139.4111.1147.5-117.8-40.4000107.3
477S33.1Very low35.1Very low99 Ų99139.5 Ų139.569%0.69277%0.769SS**  trans-114.2102-170.8-81.40000110.8
478S38Very low35.1Very low113 Ų113138.8 Ų138.879%0.7976%0.763SS**  trans-160145.9168.766.70000113.3
479V34.9Very low35.1Very low122 Ų122136 Ų13674%0.73976%0.763SS**  cis-176.3146-32.2116.60000107.7
480I35.6Very low35Very low136 Ų136136 Ų13670%0.69776%0.762SS**  trans75109.9160-80169.3000121.3
481N34.1Very low35Very low151 Ų151140.3 Ų140.381%0.80777%0.767SS**  62.5140.3128.4-52.8-8.9000125.2
482G36.1Very low35.2Very low71 Ų71140.5 Ų140.573%0.73277%0.765SS**  trans139.563.6160.300000114.1
483R34.1Very low35.1Very low206 Ų206137.1 Ų137.178%0.77776%0.761SS**  54.8119.197.8-64.2-16678.9141.89.9116.1
484E32Very low35.1Very low147 Ų147137.9 Ų137.969%0.68777%0.769SS**  trans43.8131.3131.6-59.3160.2148.500118
485E35.5Very low35.1Very low178 Ų178134.4 Ų134.483%0.83277%0.765SS**  cis-150.1178.439.1-79.7-172.7101.400110.2
486L31.3Very low35.3Very low129 Ų129133.5 Ų133.568%0.67577%0.771SS**  cis162.6154.7-20.9-155.9158.2000104.2
487H35.6Very low35.4Very low180 Ų180133.9 Ų133.983%0.83377%0.773SS**  trans70.5148.8-178.1-66.4-26.3000117.9
488A34.9Very low35.5Very low78 Ų78133.8 Ų133.865%0.64577%0.772SS**  cis-163.2146.7-24.300000110.1
489P32Very low35.7Very low132 Ų132136.9 Ų136.986%0.85778%0.778SS**  trans-91.4135.5173.434.4-31.4000112.3
490C34.7Very low35.8Very low126 Ų126137.8 Ų137.885%0.85178%0.779SS**  trans-122.5121.2172.1-78.40000112
491Q29.9Very low35.9Very low181 Ų181136.9 Ų136.985%0.84679%0.785SS**  trans-85.5168.4157-68.4-172.7-18.700110.3
492P44.4Very low36.1Very low127 Ų127134.5 Ų134.583%0.82578%0.78SS**  trans-113.5118.3143.733.1-23.6000111.6
493S34.4Very low36.1Very low98 Ų98136.7 Ų136.769%0.68578%0.784SS**  trans-69.8171.7145.349.10000108.7
494C34.1Very low36.4Very low109 Ų109132.7 Ų132.774%0.73679%0.785SS**  cis-143.9-176.528.9-54.30000109.1
495V37.7Very low36.7Very low131 Ų131132.9 Ų132.979%0.79479%0.789SS**  cis-152.4149.823-85.80000110.9
496P36.9Very low37Very low124 Ų124130.1 Ų130.181%0.80579%0.786SS**  trans-117.6160.5144.636.9-28.7000110.9
497N44.3Very low37.1Very low173 Ų173131.7 Ų131.793%0.92579%0.794SS**  trans-131.9131.2177.2-144.115.7000110.9
498S36.1Very low37.1Very low97 Ų97134.2 Ų134.268%0.67880%0.797SS**  trans-101.9158.8-167.3-51.20000113.8
499I41.5Very low37.1Very low178 Ų178135.8 Ų135.891%0.91380%0.803SS**  trans-133.6141146.6-56.8-176.8000108.3
500N36.1Very low37.1Very low141 Ų141137.9 Ų137.975%0.75480%0.804SS**  trans-93.5159.8-169-69-25.8000114.4
501S38Very low37.1Very low117 Ų117136.8 Ų136.882%0.81880%0.797SS**  -170.593.4122.121.50000115.1
502S37.9Very low37.4Very low102 Ų102133 Ų13371%0.71379%0.791SS**  trans18.3117.4141.354.20000122.8
503S36.9Very low37Very low116 Ų116134 Ų13481%0.81179%0.789SS**  46164.2103.6-45.60000121.8
504P39.9Very low37.2Very low122 Ų122134.7 Ų134.779%0.79279%0.789SS**  cis-136.2-177.26.342.9-25.1000117
505I39.6Very low37.2Very low152 Ų152134.1 Ų134.178%0.77979%0.786SS**  trans-110.6150.6169.2-59.5162.8000109.6
506P40.9Very low37.2Very low119 Ų119136.3 Ų136.377%0.77379%0.785SS**  trans-125.6155.5150.433.4-19.8000113.9
507L32.3Very low37.3Very low162 Ų162136.5 Ų136.585%0.84878%0.784SS**  trans-108.9167.3178-62.690.1000112.1
508R35.7Very low37Very low233 Ų233133.5 Ų133.588%0.87978%0.777SS**  123148.5121.6-151.7175.3-161.3-151.44.6116.8
509S35.2Very low37.1Very low111 Ų111132.5 Ų132.578%0.77678%0.782SS**  trans66.4157.6171.157.90000118
510M32.8Very low36.9Very low177 Ų177130.7 Ų130.787%0.87278%0.779SS**  cis157.9152.4-38.4-95.1-72.2160.100109.5
511S35.4Very low37Very low102 Ų102129.7 Ų129.771%0.71378%0.778SS**  trans81.2117.8165-510000119.9
512S34.3Very low36.9Very low103 Ų103130.8 Ų130.872%0.7278%0.775SS**  trans54.1141.8131.464.50000120.9
513D37.5Very low36.7Very low148 Ų148130 Ų13079%0.79177%0.774SS**  cis-170.817221.9-134-26.9000115.8
514V37.1Very low36.7Very low112 Ų112135.4 Ų135.468%0.67978%0.778SS**  trans69.1113.4145.7166.60000123.3
515S35.9Very low36.5Very low97 Ų97136.5 Ų136.568%0.67878%0.777SS**  trans72.7153.9141.1-75.60000121.6
516K37.4Very low36.5Very low176 Ų176136.7 Ų136.777%0.76578%0.78SS**  cis-160.6142.89.5-129161.7-171.6173.40113.6
517T38.7Very low36.3Very low128 Ų128135.6 Ų135.679%0.78578%0.775SS**  trans59.3148.3150.344.70000121.1
518S38.5Very low36.6Very low111 Ų111135.5 Ų135.578%0.77677%0.772SS**  cis-172.7144.3-4.845.40000114.1
519G37.8Very low36.6Very low75 Ų75131.3 Ų131.377%0.77377%0.767SS**  trans84149.3159.300000116.6
520V37.5Very low36.5Very low141 Ų141130.5 Ų130.586%0.85576%0.761SS**  cis-139.9162.64.7171.70000110.5
521T37.8Very low36.6Very low120 Ų120128.9 Ų128.974%0.73676%0.761SS**  trans-55.5161.7177.7450000114.4
522N35.9Very low36.7Very low140 Ų140128.6 Ų128.675%0.74976%0.759SS**  cis-160.5159.648.6-148.220.1000114.6
523A32.6Very low36.9Very low85 Ų85129 Ų12970%0.70276%0.757SS**  trans-146.9153.5175.400000111.5
524Y38Very low36.8Very low230 Ų230128.9 Ų128.990%0.90276%0.757SS**  trans-114.9133.4165.5-91.3-78.2000109.6
525N36Very low36.9Very low144 Ų144131.6 Ų131.677%0.7776%0.762SS**  trans-157.8139.4-173.5-154.50.3000108.8
526N39.6Very low36.9Very low157 Ų157131.1 Ų131.184%0.8476%0.759SS**  trans-176.7128163.5-93.7-30000108.7
527S37Very low36.9Very low95 Ų95128.4 Ų128.466%0.66476%0.759SS**  cis126.6155.6-4.3-171.90000112.1
528M38.2Very low36.8Very low161 Ų161130.4 Ų130.479%0.79376%0.76SS**  trans77.9144.7174.7-51.6-163176.600116.1
529L35.1Very low36.5Very low145 Ų145131.9 Ų131.976%0.75976%0.759SS**  cis-153.4127.11.5-152.859.9000106.9
530S33.5Very low36.3Very low94 Ų94133.3 Ų133.366%0.65775%0.752SS**  89.2152.254.6-51.60000115.8
531T35.2Very low36.2Very low142 Ų142133.6 Ų133.687%0.87175%0.749SS**  trans81.3137.7-179.167.30000117.6
532S37Very low36Very low96 Ų96140 Ų14067%0.67176%0.76SS**  cis-167141.4-1147.10000113.5
533T37.6Very low36.2Very low112 Ų112139 Ų13969%0.68776%0.759SS**  trans36.1134.1144.259.30000121.2
534D36.7Very low36.5Very low145 Ų145140.4 Ų140.478%0.77576%0.761SS**  cis-160.2-157.70.6-94.5-27.6000107.3
535E38.3Very low36.5Very low169 Ų169135.1 Ų135.179%0.7976%0.755SS**  cis-158.2-149.116.7-141.2-11583.200111.8
536S36.2Very low36.4Very low88 Ų88133.1 Ų133.162%0.61575%0.752SS**  trans-107.5-174-160.3-39.40000115.1
537P38.1Very low36.1Very low119 Ų119133.6 Ų133.677%0.77375%0.754SS**  -134.9-161.9-67.539.3-20.9000113.9
538E36.6Very low36.1Very low170 Ų170135.4 Ų135.479%0.79475%0.747SS**  trans106.291.6159.4-58.5-132.6131.400121.3
539N32.1Very low35.8Very low141 Ų141133 Ų13375%0.75475%0.746SS**  87.2143.5109.8-136.25.9000123.9
540V34Very low35.7Very low106 Ų106131.7 Ų131.764%0.64274%0.744SS**  trans21.8103.2172.2-119.20000121.7
541N34.4Very low35.6Very low146 Ų146130.5 Ų130.578%0.78174%0.74SS**  167.5122.8103.2-93.2-48.2000111.6
542R33Very low35.6Very low254 Ų254130 Ų13096%0.95873%0.729SS**  trans-11894.9166.1-79.2-167.6175.4-153.90.2110.4
543T40.5Very low35.3Very low121 Ų121132.6 Ų132.674%0.74274%0.735SS**PPolyproline II helixtrans-76.9141.7161.2470000109.8
544P40.2Very low35Very low113 Ų113132.2 Ų132.273%0.73474%0.743SS**PPolyproline II helixtrans-64.7152.5170.229.3-34.8000110.8
545P37.9Very low34.8Very low119 Ų119130.3 Ų130.377%0.77375%0.747SS**PPolyproline II helixtrans-67.8139.9179.429.1-34.7000111.1
546S34Very low34.5Very low103 Ų103127.3 Ų127.372%0.7275%0.745SS**PPolyproline II helixtrans-81.4122.4173.755.90000111Y548S546-Y548 PolarHBondContact O-N 2.85Å
547L33.2Very low34.3Very low167 Ų167132 Ų13287%0.87476%0.757SS**  trans-7562.8172.5-66.9172.8000111
548Y36.5Very low33.9Very low132 Ų132133.3 Ų133.352%0.51876%0.758SS.*  trans-137.153.4-176.9-88.1-84.8000113S546 Y743S546-Y548 PolarHBondContact O-N 2.85Å; Y548-Y743 WeakPolarHBondContact OH-CE1 3.45Å; Y548-Y743 PolarHBondContact OH-OH 2.99Å
549S31.4Very low33.8Very low112 Ų112134.6 Ų134.678%0.78376%0.761SS**  trans-164.1113.3159.2-83.50000112.2
550T33.8Very low33.8Very low117 Ų117136.5 Ų136.572%0.71877%0.765SS**SBendtrans-178.3-43.8141.1-78.90000110.1
551A31.3Very low33.6Very low68 Ų68138.7 Ų138.756%0.56277%0.772SS**SBendtrans-61.3148.5173.200000112.3
552M34.5Very low33.3Very low131 Ų131137.8 Ų137.865%0.64578%0.778SS**SBendtrans71.563.3-173.3-60.1-75.2-17100116.2R796M552-R796 PolarHBondContact O-NH2 2.9Å
553L31.1Very low33.1Very low151 Ų151129.8 Ų129.879%0.79176%0.761SS**  trans-149.733.3162.9-119.3172.4000115.6
554A31.4Very low32.8Very low105 Ų105131.5 Ų131.587%0.86876%0.764SS**  trans-131.354.8-178.800000113.1
555A32.3Very low32.4Very low104 Ų104133.9 Ų133.986%0.8677%0.77SS**  trans-149.540.9-176.100000114.1
556S31.7Very low32Very low106 Ų106132.4 Ų132.474%0.74177%0.768SS**SBendtrans-154.9141.1171.9-166.70000110
557Q32.3Very low31.8Very low186 Ų186133.4 Ų133.487%0.86977%0.774SS**  trans65.3103.5-161.5-47178.152.700109.4
558D29.5Very low31.9Very low147 Ų147130.4 Ų130.479%0.78677%0.767SS**  -148.2142.178.8-123.7-35.5000115.2
559K34Very low31.9Very low197 Ų197133 Ų13386%0.85778%0.783SS**  trans-144.2130.9161.9-88.6-169.9177.5-177.90106.7
560Q31.9Very low31.8Very low182 Ų182136.7 Ų136.785%0.8579%0.788SS**  trans78.293.7-171.9-50.2-164.93.900115.2
561L30.5Very low31.9Very low151 Ų151137.2 Ų137.279%0.79179%0.794SS**  -158.7112.7128.4-103.9171.2000108
562S28.1Very low31.9Very low128 Ų128139.2 Ų139.290%0.89580%0.803SS**  trans-152.349.5-177.7-61.30000111.5
563S29.7Very low31.9Very low86 Ų86141.6 Ų141.660%0.60182%0.818SS**  trans-161.6151.4171.857.80000107.6
564L32.6Very low31.8Very low156 Ų156137.5 Ų137.582%0.81781%0.812SS**  trans72.4127.2-169.3-47.9177.6000111.6
565L31.7Very low32Very low163 Ų163144.4 Ų144.485%0.85382%0.816SS**  cis-140.8156.1-1.7-97.5146.1000110.5
566A30.1Very low32.1Very low88 Ų88144.3 Ų144.373%0.72782%0.815SS**  trans-120.8165.1158.200000108.6
567C30.5Very low32.2Very low125 Ų125143.2 Ų143.285%0.84582%0.821SS**  trans101.8148174.8-153.10000116.7
568S34.8Very low32.5Very low103 Ų103140 Ų14072%0.7282%0.819SS**  trans57121.9-180-59.90000116.8
569Q36.1Very low32.6Very low187 Ų187140.2 Ų140.287%0.87482%0.82SS**  cis74.1133.141.8-56.3-167.84.700115
570H29.2Very low32.9Very low189 Ų189137.7 Ų137.788%0.87582%0.821SS**  trans-73.8167.8-175.8-54.7-97000112.8
571P36.7Very low32.9Very low129 Ų129133.2 Ų133.284%0.83882%0.815SS**  -138.7177.997.138.6-26.8000114.8
572S30.5Very low33.3Very low110 Ų110135 Ų13577%0.76982%0.821SS**  trans-108.6157.7-175.651.70000113.6
573L34.7Very low33.4Very low180 Ų180135.6 Ų135.694%0.94281%0.814SS**  trans173.3147.2159.8-95.6152.8000108.6
574G29.1Very low33.9Very low66 Ų66137 Ų13768%0.6882%0.822SS**  cis149.883.1-12.500000115.9
575R35.7Very low34Very low249 Ų249134.1 Ų134.194%0.9482%0.815SS**  trans-174.6126.9164.9-106.8169.6159.9-175.9-8.1108.2
576A35.4Very low34.2Very low103 Ų103134 Ų13485%0.85181%0.814SS**  80.5131.550.200000113.6
577G33.5Very low34.5Very low83 Ų83134.5 Ų134.586%0.85681%0.812SS**  cis-129.5-157-2.100000112
578S38Very low34.6Very low118 Ų118133.1 Ų133.183%0.82581%0.809SS**  cis-147.4174.714.2-168.80000111.7
579N32.2Very low34.5Very low151 Ų151135.4 Ų135.481%0.80781%0.812SS**  trans-100.1145.1-168.8-31-76.3000114.8
580V39.3Very low34.3Very low145 Ų145131.9 Ų131.988%0.87981%0.808SS**  trans-138.5145138-178.60000106.9
581A32.1Very low34.5Very low87 Ų87131.2 Ų131.272%0.71981%0.81SS**  trans-138.8139.6179.500000111.4
582M40.1Very low34.3Very low189 Ų189129.9 Ų129.993%0.93180%0.804SS**  trans-143.5136.5163.7-76.1-63.2173.300109
583D29.6Very low34.4Very low140 Ų140129.7 Ų129.775%0.74980%0.802SS**  trans-106.2145169.5-177.842000106.7S585D583-S585 PolarHBondContact OD1-N 2.68Å
584P40.6Very low34.4Very low117 Ų117130 Ų13076%0.7680%0.796SS**  -146.7152.494.337.2-20.4000115.7
585S35.1Very low34.5Very low95 Ų95135.4 Ų135.466%0.66480%0.801SS**  trans-63.6151.2162.567.60000113.6D583D583-S585 PolarHBondContact OD1-N 2.68Å
586L35.8Very low34.3Very low161 Ų161131.8 Ų131.884%0.84380%0.795SS**  -168.3136.5129.9-105.4171.8000113.8
587S35.6Very low34.1Very low98 Ų98132 Ų13269%0.68579%0.79SS**  trans22.6108.8155.555.30000120.3
588A33Very low34Very low95 Ų95134.7 Ų134.779%0.78579%0.79SS**  102.5157.892.600000112
589I33.1Very low33.8Very low151 Ų151134.5 Ų134.577%0.77479%0.789SS**  cis-129.3139.47-63167.8000109.3
590S32Very low33.7Very low114 Ų114132.4 Ų132.480%0.79779%0.786SS**  trans-95.5125.4172.3-53.70000112.9
591L32Very low33.6Very low174 Ų174132 Ų13291%0.91178%0.783SS**  trans-104.196166.5-77.2170.8000110.4
592S32.7Very low33.8Very low102 Ų102133.2 Ų133.271%0.71379%0.786SS**  trans-123.991.5172.865.10000111.9K594S592-K594 PolarHBondContact O-N 2.93Å; S592-K594 VanDerWaalsContact O-N 3.16Å
593S33.2Very low33.3Very low105 Ų105129.5 Ų129.573%0.73478%0.779SS**  trans-85.479.2-179.642.20000112.3F595S593-F595 PolarHBondContact O-N 3.09Å; S593-F595 VanDerWaalsContact O-N 3.1Å
594K33.6Very low33.6Very low187 Ų187131 Ų13181%0.81379%0.786SS**  trans-71.797.1167.1-74.4-178179.5174.90110.8S592S592-K594 PolarHBondContact O-N 2.93Å; S592-K594 VanDerWaalsContact O-N 3.16Å
595F33Very low33.3Very low179 Ų179130.6 Ų130.679%0.78578%0.783SS**  trans-98.2110164.1-83.1-77000111.1S593S593-F595 PolarHBondContact O-N 3.09Å; S593-F595 VanDerWaalsContact O-N 3.1Å
596H29.5Very low32.9Very low174 Ų174133.8 Ų133.881%0.80679%0.792SS**  trans-104.2116.6159.6-74.763.5000107.7
597S32.9Very low32.9Very low107 Ų107132 Ų13275%0.74879%0.791SS**  trans-133102.4176.2-66.20000110
598T30.1Very low32.7Very low140 Ų140132.6 Ų132.686%0.85979%0.794SS**  trans-101.5113.1177.550.50000110.9
599S34.8Very low32.8Very low114 Ų114134.2 Ų134.280%0.79780%0.795SS**  trans-162.8121.6159.257.90000113.6
600S30.5Very low32.8Very low107 Ų107133.7 Ų133.775%0.74879%0.792SS**  trans-46.5142.3166.950.90000117.5
601V36.4Very low33Very low136 Ų136136.4 Ų136.482%0.82480%0.796SS**  trans-147.1118.6132.9-87.40000107
602S35.4Very low32.9Very low112 Ų112132.4 Ų132.478%0.78378%0.782SS**  72.1102.371-62.40000113
603S31.4Very low33Very low112 Ų112134 Ų13478%0.78379%0.788SS**  trans-76.4158.3172.352.20000112.6
604L35.1Very low33.2Very low172 Ų172135.1 Ų135.190%0.90179%0.791SS**  trans-175.8169.1146.4-95163.7000108.3
605P33.8Very low33.4Very low107 Ų107134.1 Ų134.170%0.69579%0.794SS**  trans-110.4172.8-140.241.8-39.3000117.2
606L27.3Very low34Very low162 Ų162130.7 Ų130.785%0.84879%0.79SS**  trans-71.8140.9169.8-70.173.8000112.1
607P36.1Very low34.3Very low125 Ų125130.9 Ų130.981%0.81279%0.791SS**  trans-91.2149.2157.636.1-31000111.8
608S30.4Very low34.5Very low109 Ų109131.2 Ų131.276%0.76279%0.789SS**  trans-111.6140.4178.7-560000111.8
609T36Very low34.8Very low130 Ų130132.9 Ų132.980%0.79879%0.787SS**  trans-165.7101.4167-67.70000105.7
610I32.7Very low34.7Very low139 Ų139132.3 Ų132.371%0.71378%0.783SS**  61107.769.8-55.2178.2000113.3
611I37Very low34.9Very low171 Ų171132 Ų13288%0.87778%0.781SS**  trans-168.9155.9139-98.2153.1000107.6
612S30.1Very low34.6Very low90 Ų90135 Ų13563%0.62978%0.778SS**  trans-133.1157.3-153.3-50.80000115.1
613T33.1Very low34.4Very low137 Ų137137.8 Ų137.884%0.8478%0.784SS**  trans66.4159.5155.850.90000117.3
614T39.1Very low34.4Very low128 Ų128135.5 Ų135.579%0.78578%0.778SS**  cis-143.5139.626.150.80000116.4
615N36Very low34.4Very low165 Ų165136 Ų13688%0.88278%0.781SS**  trans21.4158.7148.9-108.533.3000127
616P47.2Very low34.1Very low108 Ų108138.2 Ų138.270%0.70179%0.787SS**  trans-129.5-168.8-169.247-31.7000116.7
617Q35.3Very low34.2Very low177 Ų177135.6 Ų135.683%0.82778%0.782SS**  trans-154.1178.2159.5-113.7-171.74.200108.7
618V37.8Very low34Very low115 Ų115137.6 Ų137.670%0.69778%0.781SS**  cis-124.2-107.612.4-169.20000111.6
619Q35.8Very low34Very low174 Ų174139.5 Ų139.581%0.81378%0.781SS**  trans-155.5144.5-167.6-76.1164-21.800108.9
620S32Very low33.6Very low103 Ų103138.7 Ų138.772%0.7278%0.781SS**  68.2148.595.5-139.70000115.2
621S34Very low33.4Very low100 Ų100137.5 Ų137.570%0.69979%0.785SS**  cis-161.2143.225.353.60000116.3
622Y30.7Very low33.3Very low198 Ų198137 Ų13778%0.77678%0.782SS**  trans29.9131.9140.3-62.4-77.5000125.3
623L32.5Very low33.3Very low171 Ų171141.4 Ų141.490%0.89579%0.793SS**  trans62.9151.1145.4-57.4166.7000118.5
624G29.8Very low33.6Very low65 Ų65139.8 Ų139.867%0.6779%0.785SS**  cis139.2116.2-5.400000112.3
625L34.8Very low33.1Very low182 Ų182138.6 Ų138.695%0.95378%0.782SS**  trans-165.5159.4171.9-115.4168.8000113
626D28.4Very low33Very low153 Ų153137.9 Ų137.982%0.81878%0.777SS**  trans-104.1162.2-170.6-106.2-56.7000114.4
627S29.2Very low32.3Very low108 Ų108141 Ų14176%0.75578%0.782SS**  trans56.2122.8153.7-1680000120.2
628Q32.1Very low32.1Very low167 Ų167137.1 Ų137.178%0.7878%0.775SS**  -171.7148.7129.3-102.6-65.50.300113
629L31.3Very low32.1Very low149 Ų149140.1 Ų140.178%0.7878%0.781SS**  trans5897.8152.5-141.166.4000122.1
630S27Very low32.2Very low113 Ų113140.2 Ų140.279%0.7978%0.781SS**  trans-62.1140154.352.20000114.5
631S28.5Very low32.3Very low113 Ų113142.6 Ų142.679%0.7979%0.785SS**  trans-166.2166.1151.7-163.80000112.8
632I34.2Very low32.3Very low160 Ų160147.6 Ų147.682%0.82179%0.793SS**  trans86.8109.4170.7-52.4173000116.6
633Q29.9Very low32.3Very low183 Ų183145 Ų14586%0.85579%0.793SS**  trans-134169.4167.4-101.2-86.5-58.700107.9
634P40.4Very low32.7Very low103 Ų103145.7 Ų145.767%0.66979%0.792SS**  trans-101.8169.4-140.139.2-40.7000116.1
635S28.5Very low32.8Very low104 Ų104150.5 Ų150.573%0.72780%0.802SS**  trans-173.1171.1144.751.70000111.9
636L33.6Very low32.8Very low150 Ų150146.9 Ų146.979%0.78579%0.792SS**  trans72.8140.3164.2-56.2166.7000118.1
637H33.1Very low33.1Very low174 Ų174145.3 Ų145.381%0.80679%0.79SS**  cis-158.1168.2-28.7-14868.9000111.2
638S30.1Very low33.4Very low95 Ų95147.4 Ų147.466%0.66480%0.798SS**  trans-49.2142-176.3179.40000117.2
639Q37.8Very low33.6Very low178 Ų178147.9 Ų147.983%0.83280%0.8SS**  trans-152.6113.6142.2-138.2166.378.100115.8
640Q38.4Very low34.2Very low175 Ų175144.2 Ų144.282%0.81879%0.791SS**  trans57.5131.2150.6-69-174.7-37.600123.4
641I33.7Very low35Very low154 Ų154147.5 Ų147.579%0.7979%0.794SS**  trans-89.3146.5176-61.9158.6000110.7
642K34.7Very low36Very low204 Ų204146.5 Ų146.589%0.88778%0.778SS**  trans-151.5129.2149.6-115169.8-174.1175.20111.7
643N31.1Very low37Very low145 Ų145144.5 Ų144.578%0.77577%0.765SS**  trans-68.7143.2-179.5-66.2-9.3000112.3
644Q39.6Very low38.3Very low185 Ų185140.5 Ų140.586%0.86476%0.755SS**  trans-159.7130.2141.9-116.2166.248.200111.4
645N32.5Very low39.3Very low166 Ų166145.2 Ų145.289%0.88876%0.759SS**  trans-74.8129.5171.7-76.2-4.3000109.8
646S34.3Very low40.8Very low106 Ų106144 Ų14474%0.74175%0.745SS**  trans-157158.3167.4-95.90000109.5
647P36.2Very low42.1Very low120 Ų120140.1 Ų140.178%0.77973%0.734SS**  trans-63.7152.7-17226.2-35.2000112.5H649P647-H649 PolarHBondContact O-N 3.17Å
648V34.7Very low43.5Very low151 Ų151135.6 Ų135.692%0.91573%0.726SS**  trans-57.2103-171.6-178.20000111.5
649H36.7Very low45Very low177 Ų177133.3 Ų133.382%0.81971%0.713SS**  trans-85114.6173.8-159.4-58.4000109.2P647 H651P647-H649 PolarHBondContact O-N 3.17Å; H649-H651 PolarHBondContact O-N 3.4Å
650A43.4Very low46.1Very low73 Ų73130.8 Ų130.860%0.60371%0.713SS**  trans-59.9124.3179.600000111M652A650-M652 PolarHBondContact O-N 3.05Å
651H42.8Very low47Very low181 Ų181131.4 Ų131.484%0.83871%0.713SS**  trans-80.281.9177.5-176.2-62.9000109.9H649H649-H651 PolarHBondContact O-N 3.4Å
652M51Low47.9Very low93 Ų93128.2 Ų128.246%0.45869%0.691SS.*  trans-61.7142.7177.4-69.8-165.668.300112.1A650 D656 R662A650-M652 PolarHBondContact O-N 3.05Å; M652-D656 HydrophobicContact CE-CB 3.59Å; M652-R662 PolarHBondContact SD-NH1 3.45Å
653H53.7Low48.9Very low117 Ų117123 Ų12354%0.54267%0.673SS.*  trans-72.6139.9175.3176.6-107.9000110.2R655 D656H653-R655 PolarHBondContact O-N 3.28Å; H653-D656 IonicContact ND1-OD2 2.77Å; H653-D656 PolarHBondContact O-N 3.09Å
654P58.5Low50.1Low100 Ų100125.5 Ų125.565%0.64967%0.671SS**G310 helixtrans-58.3-23-169.4-29.136.6000115.7D656P654-D656 VanDerWaalsContact C-N 3.29Å; P654-D656 PolarHBondContact O-N 3.38Å
655R61Low50.8Low202 Ų202123.2 Ų123.276%0.76267%0.665SS**G310 helixtrans-66.9-29.9178-150.1172.1-165.5160.63.2112.6H653 A658H653-R655 PolarHBondContact O-N 3.28Å; R655-A658 PolarHBondContact O-N 2.87Å
656D60.5Low51.9Low79 Ų79120.6 Ų120.642%0.42265%0.651SS.*G310 helixtrans-90.7-8.7-174.1-48.6-44.7000112.5M652 H653 P654 A658 R662M652-D656 HydrophobicContact CE-CB 3.59Å; H653-D656 IonicContact ND1-OD2 2.77Å; H653-D656 PolarHBondContact O-N 3.09Å; P654-D656 VanDerWaalsContact C-N 3.29Å; P654-D656 PolarHBondContact O-N 3.38Å; D656-A658 VanDerWaalsContact C-N 3.27Å; D656-R662 PolarHBondContact O-NH1 3.13Å
657A61.1Low52.9Low67 Ų67119.4 Ų119.455%0.55464%0.636SS**G310 helixtrans-75-17.2166.300000112.7
658A61.9Low53.8Low79 Ų79121.5 Ų121.565%0.65363%0.633SS**SBendtrans-107.25.1-17400000114.5R655 D656 P660R655-A658 PolarHBondContact O-N 2.87Å; D656-A658 VanDerWaalsContact C-N 3.27Å; A658-P660 WeakPolarHBondContact O-CD 3.35Å
659A61.6Low54.5Low47 Ų47120.8 Ų120.839%0.38863%0.631SS.*  trans-65.1122.7-177.200000112.1F661 R662A659-F661 PolarHBondContact O-N 2.88Å; A659-R662 WeakPolarHBondContact O-CB 3.32Å; A659-R662 PolarHBondContact O-N 3.33Å
660P61.7Low55.2Low126 Ų126122.4 Ų122.482%0.81864%0.636SS**THydrogen-bonded Turntrans-60.1-22.8-176.1-27.335.8000115.3A658A658-P660 WeakPolarHBondContact O-CD 3.35Å
661F57Low56.1Low188 Ų188122.3 Ų122.383%0.82564%0.641SS**THydrogen-bonded Turntrans-954.1-179.3-56.9-76.2000113.7A659 N663A659-F661 PolarHBondContact O-N 2.88Å; F661-N663 PolarHBondContact O-N 2.84Å
662R52.8Low57.3Low86 Ų86118.3 Ų118.333%0.32564%0.64SS.*  trans-65.8109.6176.8-173.1-173-175.31134.9109.8M652 D656 A659 R664 D667M652-R662 PolarHBondContact SD-NH1 3.45Å; D656-R662 PolarHBondContact O-NH1 3.13Å; A659-R662 WeakPolarHBondContact O-CB 3.32Å; A659-R662 PolarHBondContact O-N 3.33Å; R662-R664 VanDerWaalsContact C-N 3.27Å; R662-R664 PolarHBondContact O-N 2.91Å; R662-D667 IonicContact CZ-OD1 2.83Å; R662-D667 IonicContact CZ-OD2 3.55Å; R662-D667 IonicContact NE-OD1 3.17Å; R662-D667 IonicContact NE-OD2 2.79Å; R662-D667 PolarHBondContact NE-OD2 3.41Å; R662-D667 IonicContact NH2-OD1 3.39Å; R662-D667 PolarHBondContact NH2-OD1 3.22Å; R662-D667 IonicContact NH2-OD2 2.73Å
663N54.7Low58.2Low95 Ų95118.4 Ų118.451%0.50865%0.645SS.*  trans-71.881.5176.8-169.3-2000110.9F661 N665 L666F661-N663 PolarHBondContact O-N 2.84Å; N663-N665 PolarHBondContact O-N 3.35Å; N663-N665 PolarHBondContact OD1-ND2 3.3Å; N663-L666 HydrophobicContact CB-CD1 4.36Å; N663-L666 PolarHBondContact O-N 2.85Å
664R57.4Low59.4Low198 Ų198116.7 Ų116.775%0.74765%0.645SS**THydrogen-bonded Turntrans-51.8-9.6-179.5-93.8177.4155.1176.9-5.9115.7R662 L666R662-R664 VanDerWaalsContact C-N 3.27Å; R662-R664 PolarHBondContact O-N 2.91Å; R664-L666 VanDerWaalsContact C-N 3.29Å
665N54.1Low60.5Low136 Ų136119.5 Ų119.573%0.72765%0.649SS**THydrogen-bonded Turntrans-74.1-18.3173.4-59.4-61.3000113.1N663N663-N665 PolarHBondContact O-N 3.35Å; N663-N665 PolarHBondContact OD1-ND2 3.3Å
666L54.1Low61.7Low112 Ų112115.4 Ų115.459%0.58664%0.639SS**SBendtrans-81.7-21.6174.5-85.768.1000113.2N663 R664 K668 L677N663-L666 HydrophobicContact CB-CD1 4.36Å; N663-L666 PolarHBondContact O-N 2.85Å; R664-L666 VanDerWaalsContact C-N 3.29Å; L666-K668 PolarHBondContact O-N 3.38Å; L666-L677 HydrophobicContact CD2-CD2 4.45Å
667D55.2Low62.9Low80 Ų80114.3 Ų114.343%0.42863%0.633SS.*SBendtrans-74.731.1-175.9-66.4-55.6000113.6R662R662-D667 IonicContact CZ-OD1 2.83Å; R662-D667 IonicContact CZ-OD2 3.55Å; R662-D667 IonicContact NE-OD1 3.17Å; R662-D667 IonicContact NE-OD2 2.79Å; R662-D667 PolarHBondContact NE-OD2 3.41Å; R662-D667 IonicContact NH2-OD1 3.39Å; R662-D667 PolarHBondContact NH2-OD1 3.22Å; R662-D667 IonicContact NH2-OD2 2.73Å
668K56.5Low64.1Low165 Ų165116.2 Ų116.272%0.71763%0.633SS**  trans-142.1105.4178.9-73.2-178.1-178.6171.50111.9L666 K670L666-K668 PolarHBondContact O-N 3.38Å; K668-K670 VanDerWaalsContact C-N 3.34Å; K668-K670 PolarHBondContact O-N 2.93Å
669P49.7Very low65.4Low135 Ų135116.7 Ų116.788%0.87762%0.624SS**  trans-76.281.117831.3-34.9000111.5
670K51.5Low66.7Low212 Ų212119.5 Ų119.592%0.92263%0.629SS**  trans-138.853.5172.8-72-161173.9-169.20112.2K668K668-K670 VanDerWaalsContact C-N 3.34Å; K668-K670 PolarHBondContact O-N 2.93Å
671G62Low68Low70 Ų70117.8 Ų117.872%0.72261%0.613SS**SBendtrans-177.6166.7174.300000110.2
672A67.1Low69.6Low98 Ų98114.7 Ų114.781%0.8160%0.601SS**PPolyproline II helixtrans-63.7150163.400000109.4
673V69.5Low71.2Confident94 Ų94113.6 Ų113.657%0.5761%0.61SS**PPolyproline II helixtrans-57.8129.2173.1-179.30000108.2Q675 L677V673-Q675 PolarHBondContact O-N 2.75Å; V673-L677 HydrophobicContact CG1-CB 4.23Å; V673-L677 HydrophobicContact CG1-CD2 4.17Å; V673-L677 HydrophobicContact CG1-CG 4.27Å
674P80.3Confident73Confident82 Ų82114.8 Ų114.853%0.53262%0.616SS.*PPolyproline II helixtrans-55.2131.5177-26.235000110.5E676 L677 L678P674-E676 PolarHBondContact O-N 2.91Å; P674-E676 VanDerWaalsContact O-N 3.16Å; P674-L677 HydrophobicContact CB-CB 4.35Å; P674-L677 WeakPolarHBondContact O-CA 3.48Å; P674-L677 WeakPolarHBondContact O-CB 3.23Å; P674-L677 PolarHBondContact O-N 3.39Å; P674-L678 PolarHBondContact O-N 2.97Å; P674-L678 VanDerWaalsContact O-N 3.17Å
675Q81.3Confident74.4Confident158 Ų158110.1 Ų110.174%0.73860%0.603SS**Hα-helixtrans-55.2-37.3-176-174.9176-4.600112.3V673 L677 L678 L679V673-Q675 PolarHBondContact O-N 2.75Å; Q675-L677 PolarHBondContact O-N 2.59Å; Q675-L678 PolarHBondContact O-N 3.25Å; Q675-L679 HydrophobicContact CG-CD1 4.31Å; Q675-L679 WeakPolarHBondContact O-CG 3.41Å; Q675-L679 PolarHBondContact O-N 2.99Å
676E84.8Confident75.8Confident116 Ų116105.9 Ų105.954%0.54258%0.584SS.*Hα-helixtrans-57.4-41.6172-179.458-15400113.1P674 L678 L679 Q680P674-E676 PolarHBondContact O-N 2.91Å; P674-E676 VanDerWaalsContact O-N 3.16Å; E676-L678 VanDerWaalsContact C-N 3.35Å; E676-L679 PolarHBondContact O-N 3.42Å; E676-Q680 WeakPolarHBondContact O-CB 3.33Å; E676-Q680 VanDerWaalsContact O-CG 3.25Å; E676-Q680 WeakPolarHBondContact O-CG 3.47Å; E676-Q680 PolarHBondContact O-N 2.73Å; E676-Q680 PolarHBondContact OE1-NE2 2.96Å
677L85.7Confident77.4Confident57 Ų57102.3 Ų102.330%0.29857%0.574SS.*Hα-helixtrans-71.2-32.1177.9-179.858.5000111.6L666 V673 P674 Q675 Q680 L681L666-L677 HydrophobicContact CD2-CD2 4.45Å; V673-L677 HydrophobicContact CG1-CB 4.23Å; V673-L677 HydrophobicContact CG1-CD2 4.17Å; V673-L677 HydrophobicContact CG1-CG 4.27Å; P674-L677 HydrophobicContact CB-CB 4.35Å; P674-L677 WeakPolarHBondContact O-CA 3.48Å; P674-L677 WeakPolarHBondContact O-CB 3.23Å; P674-L677 PolarHBondContact O-N 3.39Å; Q675-L677 PolarHBondContact O-N 2.59Å; L677-Q680 PolarHBondContact O-N 3.36Å; L677-L681 HydrophobicContact CD1-CG 4.42Å; L677-L681 HydrophobicContact CG-CD1 4.28Å; L677-L681 WeakPolarHBondContact O-CB 3.29Å; L677-L681 VanDerWaalsContact O-CG 3.28Å; L677-L681 WeakPolarHBondContact O-CG 3.29Å; L677-L681 PolarHBondContact O-N 2.83Å
678L87Confident78.9Confident106 Ų106105.9 Ų105.956%0.55558%0.583SS**Hα-helixtrans-67.7-43.6173.7-174.163.4000111.2P674 Q675 E676 L681 Q682P674-L678 PolarHBondContact O-N 2.97Å; P674-L678 VanDerWaalsContact O-N 3.17Å; Q675-L678 PolarHBondContact O-N 3.25Å; E676-L678 VanDerWaalsContact C-N 3.35Å; L678-L681 PolarHBondContact O-N 3.07Å; L678-Q682 WeakPolarHBondContact O-CB 3.26Å; L678-Q682 PolarHBondContact O-N 3.45Å
679L88.8Confident80Confident90 Ų90106.2 Ų106.247%0.47158%0.579SS.*Hα-helixtrans-59.6-43.8172.6-76.5159.7000111.8Q675 E676 Q682 A683Q675-L679 HydrophobicContact CG-CD1 4.31Å; Q675-L679 WeakPolarHBondContact O-CG 3.41Å; Q675-L679 PolarHBondContact O-N 2.99Å; E676-L679 PolarHBondContact O-N 3.42Å; L679-Q682 PolarHBondContact O-N 3.01Å; L679-A683 WeakPolarHBondContact O-CB 3.25Å; L679-A683 PolarHBondContact O-N 2.84Å
680Q90Very high81.3Confident105 Ų105105.5 Ų105.549%0.49156%0.559SS.*Hα-helixtrans-65.6-37.5176.4-73.1174.114.600112.8E676 L677 L684E676-Q680 WeakPolarHBondContact O-CB 3.33Å; E676-Q680 VanDerWaalsContact O-CG 3.25Å; E676-Q680 WeakPolarHBondContact O-CG 3.47Å; E676-Q680 PolarHBondContact O-N 2.73Å; E676-Q680 PolarHBondContact OE1-NE2 2.96Å; L677-Q680 PolarHBondContact O-N 3.36Å; Q680-L684 VanDerWaalsContact O-CB 3.26Å; Q680-L684 WeakPolarHBondContact O-CB 3.35Å; Q680-L684 PolarHBondContact O-N 2.88Å
681L89.4Confident82.6Confident91 Ų91100.9 Ų100.948%0.47654%0.544SS..Hα-helixtrans-67.7-42.6174.6-76.4167.4000111.9L677 L678 L684 E685L677-L681 HydrophobicContact CD1-CG 4.42Å; L677-L681 HydrophobicContact CG-CD1 4.28Å; L677-L681 WeakPolarHBondContact O-CB 3.29Å; L677-L681 VanDerWaalsContact O-CG 3.28Å; L677-L681 WeakPolarHBondContact O-CG 3.29Å; L677-L681 PolarHBondContact O-N 2.83Å; L678-L681 PolarHBondContact O-N 3.07Å; L681-L684 PolarHBondContact O-N 3.41Å; L681-E685 PolarHBondContact O-N 2.74Å
682Q89Confident83.3Confident122 Ų122102.3 Ų102.357%0.5754%0.54SS*.Hα-helixtrans-61.7-46.8174.3-175.9179.2-5.400111.1L678 L679 L684 E685 S686L678-Q682 WeakPolarHBondContact O-CB 3.26Å; L678-Q682 PolarHBondContact O-N 3.45Å; L679-Q682 PolarHBondContact O-N 3.01Å; Q682-L684 VanDerWaalsContact C-N 3.31Å; Q682-L684 PolarHBondContact O-N 2.69Å; Q682-E685 PolarHBondContact O-N 2.8Å; Q682-S686 PolarHBondContact O-N 3.13Å; Q682-S686 PolarHBondContact O-OG 3.46Å; Q682-S686 VanDerWaalsContact O-OG 3.1Å
683A87.9Confident83.2Confident64 Ų64100.2 Ų100.253%0.52951%0.514SS..Hα-helixtrans-62.4-36.7175.900000112.6L679 G687L679-A683 WeakPolarHBondContact O-CB 3.25Å; L679-A683 PolarHBondContact O-N 2.84Å; A683-G687 PolarHBondContact O-N 3.27Å
684L90.9Very high83Confident120 Ų12099.3 Ų99.363%0.62851%0.512SS*.Hα-helixtrans-66.7-39.2174.3-179.462.4000111.8Q680 L681 Q682 G687 Y688Q680-L684 VanDerWaalsContact O-CB 3.26Å; Q680-L684 WeakPolarHBondContact O-CB 3.35Å; Q680-L684 PolarHBondContact O-N 2.88Å; L681-L684 PolarHBondContact O-N 3.41Å; Q682-L684 VanDerWaalsContact C-N 3.31Å; Q682-L684 PolarHBondContact O-N 2.69Å; L684-G687 PolarHBondContact O-N 2.61Å; L684-Y688 WeakPolarHBondContact O-CB 3.47Å; L684-Y688 PolarHBondContact O-N 3.45Å
685E88.1Confident82.2Confident99 Ų9997.7 Ų97.746%0.46350%0.502SS..Hα-helixtrans-66.7-45.5174.6-166.3-175.3152.800111.5L681 Q682 G687 Y688 R689L681-E685 PolarHBondContact O-N 2.74Å; Q682-E685 PolarHBondContact O-N 2.8Å; E685-G687 PolarHBondContact O-N 2.77Å; E685-Y688 PolarHBondContact O-N 2.85Å; E685-Y688 VanDerWaalsContact O-N 3.13Å; E685-R689 WeakPolarHBondContact O-CG 3.43Å; E685-R689 PolarHBondContact O-N 3.27Å; E685-R689 IonicContact OE1-CZ 3.82Å; E685-R689 VanDerWaalsContact OE1-CZ 3.25Å; E685-R689 IonicContact OE1-NE 2.58Å; E685-R689 PolarHBondContact OE1-NE 3.29Å; E685-R689 IonicContact OE1-NH2 3.72Å; E685-R689 PolarHBondContact OE1-NH2 3.17Å
686S84.1Confident81.7Confident47 Ų4794.5 Ų94.533%0.32949%0.49SS..Hα-helixtrans-64.2-22.4174-56.50000113.7Q682 R690Q682-S686 PolarHBondContact O-N 3.13Å; Q682-S686 PolarHBondContact O-OG 3.46Å; Q682-S686 VanDerWaalsContact O-OG 3.1Å; S686-R690 PolarHBondContact O-NE 3.5Å
687G86.3Confident80.7Confident37 Ų3794.8 Ų94.838%0.38150%0.499SS..Hα-helixtrans-82.7-38.917000000112.7A683 L684 E685 R690 L691A683-G687 PolarHBondContact O-N 3.27Å; L684-G687 PolarHBondContact O-N 2.61Å; E685-G687 PolarHBondContact O-N 2.77Å; G687-R690 CarbonylContact O-C 3.57Å; G687-R690 PolarHBondContact O-N 3.41Å; G687-R690 VanDerWaalsContact O-N 3.09Å; G687-L691 PolarHBondContact O-N 3.4Å; G687-L691 VanDerWaalsContact O-N 3.13Å
688Y86.8Confident79.6Confident156 Ų15695.8 Ų95.861%0.61250%0.503SS*.Hα-helixtrans-65.3-42.2178.3-178.1-105.7000112L684 E685 R690 L691L684-Y688 WeakPolarHBondContact O-CB 3.47Å; L684-Y688 PolarHBondContact O-N 3.45Å; E685-Y688 PolarHBondContact O-N 2.85Å; E685-Y688 VanDerWaalsContact O-N 3.13Å; Y688-R690 PolarHBondContact O-N 2.79Å; Y688-L691 HydrophobicContact CD2-CD1 4.1Å; Y688-L691 PolarHBondContact O-N 3.36Å
689R80.5Confident78.3Confident172 Ų172101 Ų10165%0.64952%0.521SS*.THydrogen-bonded Turntrans-65.4-11172.4-67173.5-178.1-85.10.8113.7E685E685-R689 WeakPolarHBondContact O-CG 3.43Å; E685-R689 PolarHBondContact O-N 3.27Å; E685-R689 IonicContact OE1-CZ 3.82Å; E685-R689 VanDerWaalsContact OE1-CZ 3.25Å; E685-R689 IonicContact OE1-NE 2.58Å; E685-R689 PolarHBondContact OE1-NE 3.29Å; E685-R689 IonicContact OE1-NH2 3.72Å; E685-R689 PolarHBondContact OE1-NH2 3.17Å
690R77Confident76.9Confident119 Ų11998 Ų9845%0.44951%0.508SS..THydrogen-bonded Turntrans-130.238.4-179.9-63.4-174.7-69.4-166.54.4111E185 S686 G687 Y688E185-R690 IonicContact OE1-NH1 3.87Å; E185-R690 PolarHBondContact OE1-NH1 3.38Å; E185-R690 IonicContact OE2-CZ 2.69Å; E185-R690 IonicContact OE2-NH1 2.73Å; E185-R690 PolarHBondContact OE2-NH1 2.87Å; S686-R690 PolarHBondContact O-NE 3.5Å; G687-R690 CarbonylContact O-C 3.57Å; G687-R690 PolarHBondContact O-N 3.41Å; G687-R690 VanDerWaalsContact O-N 3.09Å; Y688-R690 PolarHBondContact O-N 2.79Å
691L78.2Confident75.6Confident115 Ų115101.8 Ų101.860%0.60252%0.517SS*.PPolyproline II helixtrans-59.7126.3178.2-136.478.1000109.9G687 Y688 H693G687-L691 PolarHBondContact O-N 3.4Å; G687-L691 VanDerWaalsContact O-N 3.13Å; Y688-L691 HydrophobicContact CD2-CD1 4.1Å; Y688-L691 PolarHBondContact O-N 3.36Å; L691-H693 PolarHBondContact O-N 3.34Å
692P75.9Confident74.4Confident100 Ų10099 Ų9965%0.64950%0.503SS*.PPolyproline II helixtrans-56.7127.7-179.6-27.535.4000111.9D696P692-D696 VanDerWaalsContact CA-OD2 3.31Å; P692-D696 WeakPolarHBondContact CA-OD2 3.27Å
693H65.4Low73.4Confident54 Ų5498 Ų9825%0.2550%0.5CS..PPolyproline II helixtrans-80.1165.7-178.9-14577.2000110.7L691 C695 D696L691-H693 PolarHBondContact O-N 3.34Å; H693-C695 PolarHBondContact O-N 3.28Å; H693-C695 VanDerWaalsContact O-N 3.17Å; H693-D696 VanDerWaalsContact CB-OD1 3.26Å; H693-D696 WeakPolarHBondContact CB-OD1 3.36Å; H693-D696 PolarHBondContact N-OD1 3.15Å; H693-D696 PolarHBondContact N-OD2 3.05Å; H693-D696 WeakPolarHBondContact O-CB 3.45Å; H693-D696 PolarHBondContact O-N 3.43Å
694S65.1Low72.6Confident76 Ų7698.1 Ų98.153%0.53149%0.491SS..SBendtrans-68.9-14.1-174.5-68.40000114.4
695C64.8Low71.3Confident48 Ų4896.6 Ų96.632%0.32449%0.49SS..SBendtrans-80.6-35.4173.635.70000112.6N193 H693 T697 E698N193-C695 PolarHBondContact OD1-SG 3.32Å; H693-C695 PolarHBondContact O-N 3.28Å; H693-C695 VanDerWaalsContact O-N 3.17Å; C695-T697 PolarHBondContact O-N 3.32Å; C695-E698 PolarHBondContact O-N 3.4Å
696D69.9Low70.4Confident90 Ų9096.3 Ų96.348%0.48149%0.487SS..THydrogen-bonded Turntrans-58.6-19.7-171.7-48.413.9000113.6P692 H693P692-D696 VanDerWaalsContact CA-OD2 3.31Å; P692-D696 WeakPolarHBondContact CA-OD2 3.27Å; H693-D696 VanDerWaalsContact CB-OD1 3.26Å; H693-D696 WeakPolarHBondContact CB-OD1 3.36Å; H693-D696 PolarHBondContact N-OD1 3.15Å; H693-D696 PolarHBondContact N-OD2 3.05Å; H693-D696 WeakPolarHBondContact O-CB 3.45Å; H693-D696 PolarHBondContact O-N 3.43Å
697T64.1Low69.7Low122 Ų12298.7 Ų98.775%0.74850%0.496SS*.THydrogen-bonded Turntrans-99.6-15-179.8-54.10000113.2C695C695-T697 PolarHBondContact O-N 3.32Å
698E61.6Low69.1Low78 Ų78100.3 Ų100.336%0.36450%0.498SS..  trans-100.6104.5-164.7-169.8164.7-12500113.1C695 S700 K706C695-E698 PolarHBondContact O-N 3.4Å; E698-S700 PolarHBondContact O-N 3.13Å; E698-K706 IonicContact OE1-NZ 2.67Å; E698-K706 PolarHBondContact OE1-NZ 3.26Å; E698-K706 VanDerWaalsContact OE2-CE 3.26Å; E698-K706 WeakPolarHBondContact OE2-CE 3.33Å; E698-K706 IonicContact OE2-NZ 3.53Å; E698-K706 PolarHBondContact OE2-NZ 3.11Å
699K61Low68.7Low215 Ų21599 Ų9994%0.93550%0.501SS*.  trans-73.215.2178.6-57.3-173.5178.5-1740115.1
700S59.6Low68.8Low29 Ų2998.3 Ų98.320%0.20351%0.51CS..  trans-92.9136-174.2-145.60000110.3E698 M702 E745 G746 T747E698-S700 PolarHBondContact O-N 3.13Å; S700-M702 PolarHBondContact O-N 2.74Å; S700-E745 PolarHBondContact OG-O 3.3Å; S700-G746 VanDerWaalsContact OG-C 3.32Å; S700-T747 VanDerWaalsContact OG-CG2 3.29Å; S700-T747 WeakPolarHBondContact OG-CG2 3.44Å; S700-T747 PolarHBondContact OG-N 2.91Å
701R61.9Low68.9Low183 Ų18394.5 Ų94.569%0.69150%0.501SS*.  trans-80.657.2174.7-65.6-168.9-65.8-152.43.7110.9I703 E745R701-I703 PolarHBondContact O-N 3.45Å; R701-E745 CarbonylContact C-O 3.45Å; R701-E745 HydrophobicContact CB-CB 4.22Å; R701-E745 IonicContact CZ-OE1 3.18Å; R701-E745 PolarHBondContact N-O 2.71Å; R701-E745 VanDerWaalsContact N-O 3.13Å; R701-E745 IonicContact NE-OE1 3.75Å; R701-E745 PolarHBondContact NE-OE1 3Å; R701-E745 IonicContact NH2-OE1 3.52Å; R701-E745 PolarHBondContact NH2-OE1 3.46Å; R701-E745 IonicContact NH2-OE2 2.77Å; R701-E745 WeakPolarHBondContact O-CB 3.33Å
702M65.1Low69.4Low34 Ų3491.6 Ų91.617%0.16749%0.489CS..BIsolated β-bridgetrans-73.8116.8172.4-75.2-179.748.400109.2S700 I704 F744 T747S700-M702 PolarHBondContact O-N 2.74Å; M702-I704 WeakPolarHBondContact CE-O 3.16Å; M702-I704 PolarHBondContact O-N 2.74Å; M702-F744 HydrophobicContact CE-CD1 3.69Å; M702-F744 HydrophobicContact CE-CE1 3.84Å; M702-F744 HydrophobicContact CG-CD1 4.39Å; M702-F744 HydrophobicContact SD-CD1 4.19Å; M702-T747 HydrophobicContact CG-CG2 3.68Å; M702-T747 HydrophobicContact SD-CG2 3.66Å
703I67.8Low70Confident101 Ų10193.8 Ų93.852%0.51849%0.494SS..SBendtrans-67.8-18.7174.3-56.5177.3000110.4R701 Y743R701-I703 PolarHBondContact O-N 3.45Å; I703-Y743 HydrophobicContact CB-CD1 4.39Å; I703-Y743 HydrophobicContact CG2-CD1 4.39Å; I703-Y743 PolarHBondContact N-O 3.36Å
704I70.6Confident71.3Confident65 Ų6599.4 Ų99.433%0.33351%0.514SS..SBendtrans-98.598177.5-58.3174.8000109.1M702 F739 Y743 F744M702-I704 WeakPolarHBondContact CE-O 3.16Å; M702-I704 PolarHBondContact O-N 2.74Å; I704-F739 HydrophobicContact CD1-CE1 4.14Å; I704-F739 HydrophobicContact CD1-CE2 4.38Å; I704-F739 HydrophobicContact CD1-CZ 3.59Å; I704-Y743 HydrophobicContact CD1-CD1 4.07Å; I704-Y743 HydrophobicContact CD1-CG 4.34Å; I704-Y743 HydrophobicContact CG1-CD1 4.06Å; I704-F744 HydrophobicContact CD1-CE2 3.72Å; I704-F744 HydrophobicContact CD1-CZ 3.84Å
705C64.1Low72.5Confident89 Ų89101.7 Ų101.760%0.60151%0.512SS*.  trans-63.1141.9173-57.50000111.6N707C705-N707 PolarHBondContact O-N 3.38Å
706K67.9Low73.6Confident92 Ų92104.5 Ų104.540%0.453%0.529SS..  trans-79104.5176.4-69.9170.6-179161.80110E698E698-K706 IonicContact OE1-NZ 2.67Å; E698-K706 PolarHBondContact OE1-NZ 3.26Å; E698-K706 VanDerWaalsContact OE2-CE 3.26Å; E698-K706 WeakPolarHBondContact OE2-CE 3.33Å; E698-K706 IonicContact OE2-NZ 3.53Å; E698-K706 PolarHBondContact OE2-NZ 3.11Å
707N70.2Confident74.4Confident97 Ų97108.1 Ų108.152%0.51954%0.536SS..  trans-96.9115.4173.8-167.733.9000111.1R195 C705 I709R195-N707 PolarHBondContact NH2-OD1 3.16Å; C705-N707 PolarHBondContact O-N 3.38Å; N707-I709 PolarHBondContact O-N 2.98Å
708T74Confident75.3Confident71 Ų71110 Ų11044%0.43654%0.537SS..  trans-77117.617651.70000110.7
709I77.6Confident76.4Confident129 Ų129111.5 Ų111.566%0.66255%0.553SS**  trans-120150.2175.262.7172.6000110.8N707 C711N707-I709 PolarHBondContact O-N 2.98Å; I709-C711 VanDerWaalsContact C-N 3.29Å; I709-C711 PolarHBondContact O-N 2.84Å
710N82.5Confident77.7Confident157 Ų157107.4 Ų107.484%0.8454%0.54SS*.  trans-7382.5176.3-17313.6000110.9
711C80Confident78.9Confident39 Ų39114.4 Ų114.426%0.26457%0.573SS.*  trans-73.7126.3-172.2-162.20000112.1I709 R717I709-C711 VanDerWaalsContact C-N 3.29Å; I709-C711 PolarHBondContact O-N 2.84Å; C711-R717 PolarHBondContact O-NH2 3.25Å
712P88.3Confident80Confident55 Ų55107.2 Ų107.236%0.35756%0.556SS.*  trans-53.1142.7177-27.934.1000113.4Y714 Y715P712-Y714 HydrophobicContact CB-CD1 3.85Å; P712-Y714 HydrophobicContact CB-CE1 3.36Å; P712-Y714 HydrophobicContact CB-CE2 4.37Å; P712-Y714 HydrophobicContact CG-CE1 4.28Å; P712-Y714 PolarHBondContact O-N 3.37Å; P712-Y715 HydrophobicContact CB-CD2 4.07Å; P712-Y715 HydrophobicContact CB-CE2 4.47Å; P712-Y715 HydrophobicContact CG-CD2 4.17Å; P712-Y715 HydrophobicContact CG-CE2 4.29Å; P712-Y715 PolarHBondContact O-N 3.44Å
713I89.2Confident81.2Confident145 Ų145107.2 Ų107.274%0.74456%0.558SS**THydrogen-bonded Turntrans-60.5-13.6-171.658.8169000115.8
714Y92.3Very high82.1Confident172 Ų172106.4 Ų106.468%0.67556%0.555SS**THydrogen-bonded Turntrans-91.9-6179.159.1-99.1000113.9P712P712-Y714 HydrophobicContact CB-CD1 3.85Å; P712-Y714 HydrophobicContact CB-CE1 3.36Å; P712-Y714 HydrophobicContact CB-CE2 4.37Å; P712-Y714 HydrophobicContact CG-CE1 4.28Å; P712-Y714 PolarHBondContact O-N 3.37Å
715Y90.8Very high83.1Confident125 Ų125106.4 Ų106.449%0.4956%0.556SS.*SBendtrans-92.4152.1169.9-71.7-66.4000111.4P712 R717P712-Y715 HydrophobicContact CB-CD2 4.07Å; P712-Y715 HydrophobicContact CB-CE2 4.47Å; P712-Y715 HydrophobicContact CG-CD2 4.17Å; P712-Y715 HydrophobicContact CG-CE2 4.29Å; P712-Y715 PolarHBondContact O-N 3.44Å; Y715-R717 PolarHBondContact O-N 2.72Å
716P88.1Confident84.4Confident106 Ų106103.4 Ų103.469%0.68853%0.533SS*.  trans-59.3122.8173.2-22.734000111.7
717R85.8Confident85.6Confident166 Ų166104.7 Ų104.763%0.62654%0.54SS*.SBendtrans-90.1-18.4177.1-70.5-179164-162.5-12.9113.7C711 Y715C711-R717 PolarHBondContact O-NH2 3.25Å; Y715-R717 PolarHBondContact O-N 2.72Å
718E83.4Confident86.7Confident163 Ų163104.8 Ų104.876%0.76253%0.534SS*.SBendtrans-128.2153.3178.1-65.9-178.9-178.800109.6
719P84.5Confident87.8Confident109 Ų109102.7 Ų102.771%0.70852%0.518SS*.PPolyproline II helixtrans-58.4149.3172.5-23.134.3000112.4I721P719-I721 PolarHBondContact O-N 2.7Å
720I87.8Confident88.5Confident129 Ų12999.4 Ų99.466%0.66250%0.501SS*.PPolyproline II helixtrans-63.3130.5178-60.5173.6000109.5G722 T723I720-G722 PolarHBondContact O-N 3.21Å; I720-T723 HydrophobicContact CB-CG2 3.93Å; I720-T723 HydrophobicContact CG2-CG2 4.45Å; I720-T723 VanDerWaalsContact O-CG2 3.32Å; I720-T723 WeakPolarHBondContact O-CG2 3.4Å; I720-T723 PolarHBondContact O-N 2.98Å; I720-T723 PolarHBondContact O-OG1 3.3Å
721I86.2Confident89.1Confident175 Ų175100 Ų10090%0.89750%0.496SS*.THydrogen-bonded Turntrans-56128.2-176.8-59.3174.4000110.3P719P719-I721 PolarHBondContact O-N 2.7Å
722G84.9Confident89.8Confident32 Ų3299.6 Ų99.633%0.3349%0.491SS..THydrogen-bonded Turntrans94-4.6177.900000115.8I720 D724 N725I720-G722 PolarHBondContact O-N 3.21Å; G722-D724 PolarHBondContact O-N 3.27Å; G722-N725 WeakPolarHBondContact CA-ND2 3.4Å; G722-N725 PolarHBondContact O-ND2 3.28Å
723T88.7Confident90.1Very high35 Ų35101 Ų10122%0.21550%0.496CS..THydrogen-bonded Turntrans-69.5-5.6175.357.80000114.2I720 Y728 Y729I720-T723 HydrophobicContact CB-CG2 3.93Å; I720-T723 HydrophobicContact CG2-CG2 4.45Å; I720-T723 VanDerWaalsContact O-CG2 3.32Å; I720-T723 WeakPolarHBondContact O-CG2 3.4Å; I720-T723 PolarHBondContact O-N 2.98Å; I720-T723 PolarHBondContact O-OG1 3.3Å; T723-Y728 HydrophobicContact CG2-CD1 4.36Å; T723-Y728 HydrophobicContact CG2-CD2 4.18Å; T723-Y728 HydrophobicContact CG2-CE1 4.04Å; T723-Y728 HydrophobicContact CG2-CE2 3.86Å; T723-Y728 HydrophobicContact CG2-CG 4.43Å; T723-Y728 VanDerWaalsContact O-CD1 3.31Å; T723-Y728 WeakPolarHBondContact O-CD1 3.43Å; T723-Y729 WeakPolarHBondContact O-CE2 3.38Å
724D87.4Confident90.4Very high83 Ų8394.7 Ų94.744%0.44447%0.465SS..THydrogen-bonded Turntrans-92.94.3-178.780.4-60000114.1G722 K748 Y752G722-D724 PolarHBondContact O-N 3.27Å; D724-K748 PolarHBondContact O-NZ 3Å; D724-K748 IonicContact OD2-NZ 2.63Å; D724-K748 PolarHBondContact OD2-NZ 3.1Å; D724-Y752 WeakPolarHBondContact O-CE2 3.22Å
725N91.2Very high90.5Very high66 Ų6690 Ų9035%0.35345%0.449SS..SBendtrans-99.4155.3-175.2-62.3-74.5000113.1G722 E727 Y728 Y729G722-N725 WeakPolarHBondContact CA-ND2 3.4Å; G722-N725 PolarHBondContact O-ND2 3.28Å; N725-E727 VanDerWaalsContact C-N 3.26Å; N725-E727 PolarHBondContact O-N 3.21Å; N725-Y728 WeakPolarHBondContact O-CB 3.3Å; N725-Y728 PolarHBondContact O-N 3.07Å; N725-Y728 VanDerWaalsContact O-N 3.11Å; N725-Y729 WeakPolarHBondContact O-CD2 3.44Å
726E91.8Very high90.8Very high26 Ų2686.6 Ų86.612%0.12144%0.442CS..Hα-helixtrans-59-38.8-179.5-168.2174.4139.700111.3Y728 Y729 M730 Y752 K755 R759E726-Y728 PolarHBondContact O-N 3Å; E726-Y729 PolarHBondContact O-N 3.05Å; E726-Y729 VanDerWaalsContact O-N 3.13Å; E726-M730 HydrophobicContact CG-CE 3.66Å; E726-M730 HydrophobicContact CG-CG 4.45Å; E726-M730 VanDerWaalsContact O-CG 3.27Å; E726-M730 WeakPolarHBondContact O-CG 3.13Å; E726-M730 PolarHBondContact O-N 2.96Å; E726-M730 WeakPolarHBondContact OE1-CE 3.45Å; E726-Y752 HydrophobicContact CB-CD1 3.93Å; E726-Y752 HydrophobicContact CB-CE1 3.84Å; E726-Y752 HydrophobicContact CG-CD1 4.04Å; E726-Y752 HydrophobicContact CG-CE1 4.33Å; E726-K755 WeakPolarHBondContact OE1-CD 3.35Å; E726-K755 WeakPolarHBondContact OE1-CE 3.48Å; E726-K755 IonicContact OE1-NZ 3.02Å; E726-K755 PolarHBondContact OE1-NZ 3.45Å; E726-K755 WeakPolarHBondContact OE2-CD 3.49Å; E726-K755 VanDerWaalsContact OE2-CE 3.27Å; E726-K755 WeakPolarHBondContact OE2-CE 3.46Å; E726-K755 IonicContact OE2-NZ 2.63Å; E726-K755 PolarHBondContact OE2-NZ 2.73Å; E726-R759 IonicContact OE1-CZ 3.54Å; E726-R759 IonicContact OE1-NE 2.72Å; E726-R759 IonicContact OE1-NH2 3.47Å; E726-R759 PolarHBondContact OE1-NH2 2.89Å
727E92.8Very high91.2Very high118 Ų11881.6 Ų81.655%0.55141%0.409SS*.Hα-helixtrans-65.5-16.5-179.9-63.469.7-153.800114.2N725 K731N725-E727 VanDerWaalsContact C-N 3.26Å; N725-E727 PolarHBondContact O-N 3.21Å; E727-K731 VanDerWaalsContact O-CD 3.32Å; E727-K731 WeakPolarHBondContact O-CD 3.49Å; E727-K731 WeakPolarHBondContact O-CE 3.43Å; E727-K731 WeakPolarHBondContact O-CG 3.45Å
728Y94.4Very high91.7Very high100 Ų10073.7 Ų73.739%0.39238%0.379SS..Hα-helixtrans-80.1-47.7171.1179.7-105.2000110.5T723 N725 E726 M730 K731 L732T723-Y728 HydrophobicContact CG2-CD1 4.36Å; T723-Y728 HydrophobicContact CG2-CD2 4.18Å; T723-Y728 HydrophobicContact CG2-CE1 4.04Å; T723-Y728 HydrophobicContact CG2-CE2 3.86Å; T723-Y728 HydrophobicContact CG2-CG 4.43Å; T723-Y728 VanDerWaalsContact O-CD1 3.31Å; T723-Y728 WeakPolarHBondContact O-CD1 3.43Å; N725-Y728 WeakPolarHBondContact O-CB 3.3Å; N725-Y728 PolarHBondContact O-N 3.07Å; N725-Y728 VanDerWaalsContact O-N 3.11Å; E726-Y728 PolarHBondContact O-N 3Å; Y728-M730 VanDerWaalsContact C-N 3.27Å; Y728-M730 PolarHBondContact O-N 3.33Å; Y728-K731 WeakPolarHBondContact O-CB 3.26Å; Y728-K731 PolarHBondContact O-N 2.98Å; Y728-L732 HydrophobicContact CD1-CD1 4.48Å; Y728-L732 HydrophobicContact CE1-CD1 4.22Å; Y728-L732 HydrophobicContact CE1-CD2 4Å; Y728-L732 HydrophobicContact CE1-CG 4.4Å
729Y95.7Very high92.2Very high27 Ų2769.8 Ų69.811%0.10636%0.36CS..Hα-helixtrans-63.4-33.5179.4-74.8-110.3000112.1T723 N725 E726 K731 L732 L737 I740 A749 Y752 A753T723-Y729 WeakPolarHBondContact O-CE2 3.38Å; N725-Y729 WeakPolarHBondContact O-CD2 3.44Å; E726-Y729 PolarHBondContact O-N 3.05Å; E726-Y729 VanDerWaalsContact O-N 3.13Å; Y729-K731 PolarHBondContact O-N 3.01Å; Y729-K731 VanDerWaalsContact O-N 3.09Å; Y729-L732 HydrophobicContact CD1-CD1 4.18Å; Y729-L732 HydrophobicContact CG-CD1 4.33Å; Y729-L732 PolarHBondContact O-N 3.12Å; Y729-L732 VanDerWaalsContact O-N 3.16Å; Y729-L737 HydrophobicContact CD1-CD2 4.27Å; Y729-I740 HydrophobicContact CD1-CD1 4.47Å; Y729-I740 HydrophobicContact CE1-CD1 3.92Å; Y729-I740 HydrophobicContact CE1-CG2 4.28Å; Y729-A749 HydrophobicContact CE1-CB 4.23Å; Y729-A749 WeakPolarHBondContact CE1-O 3.31Å; Y729-A749 VanDerWaalsContact OH-CB 3.24Å; Y729-A749 WeakPolarHBondContact OH-CB 3.35Å; Y729-Y752 HydrophobicContact CD2-CD2 4.18Å; Y729-Y752 HydrophobicContact CD2-CG 4.3Å; Y729-Y752 HydrophobicContact CE2-CD2 4.04Å; Y729-Y752 HydrophobicContact CG-CG 4.43Å; Y729-A753 HydrophobicContact CD1-CB 4.28Å
730M93.4Very high92.6Very high60 Ų6065.6 Ų65.630%0.29633%0.331SS..THydrogen-bonded Turntrans-65-6.9173.7-63.5-66.5158.700114.6E726 Y728 K755 A756 R759E726-M730 HydrophobicContact CG-CE 3.66Å; E726-M730 HydrophobicContact CG-CG 4.45Å; E726-M730 VanDerWaalsContact O-CG 3.27Å; E726-M730 WeakPolarHBondContact O-CG 3.13Å; E726-M730 PolarHBondContact O-N 2.96Å; E726-M730 WeakPolarHBondContact OE1-CE 3.45Å; Y728-M730 VanDerWaalsContact C-N 3.27Å; Y728-M730 PolarHBondContact O-N 3.33Å; M730-K755 HydrophobicContact CE-CB 4.44Å; M730-K755 HydrophobicContact CE-CG 4.15Å; M730-A756 HydrophobicContact CE-CB 4.05Å; M730-A756 HydrophobicContact SD-CB 3.97Å; M730-R759 HydrophobicContact CE-CG 3.94Å; M730-R759 VanDerWaalsContact CE-NE 3.35Å; M730-R759 HydrophobicContact SD-CB 4.05Å; M730-R759 VanDerWaalsContact SD-CD 3.5Å; M730-R759 HydrophobicContact SD-CG 3.93Å
731K94.1Very high93Very high169 Ų16960.6 Ų60.674%0.73531%0.305SS*.THydrogen-bonded Turntrans-109.7-6.5177-61166.9-173.9164.30113.1E727 Y728 Y729E727-K731 VanDerWaalsContact O-CD 3.32Å; E727-K731 WeakPolarHBondContact O-CD 3.49Å; E727-K731 WeakPolarHBondContact O-CE 3.43Å; E727-K731 WeakPolarHBondContact O-CG 3.45Å; Y728-K731 WeakPolarHBondContact O-CB 3.26Å; Y728-K731 PolarHBondContact O-N 2.98Å; Y729-K731 PolarHBondContact O-N 3.01Å; Y729-K731 VanDerWaalsContact O-N 3.09Å
732L95.4Very high93.3Very high31 Ų3154 Ų5416%0.16227%0.269CS..SBendtrans-76.7153.6177-61178.3000110.3Y728 Y729 T736 L737 I740Y728-L732 HydrophobicContact CD1-CD1 4.48Å; Y728-L732 HydrophobicContact CE1-CD1 4.22Å; Y728-L732 HydrophobicContact CE1-CD2 4Å; Y728-L732 HydrophobicContact CE1-CG 4.4Å; Y729-L732 HydrophobicContact CD1-CD1 4.18Å; Y729-L732 HydrophobicContact CG-CD1 4.33Å; Y729-L732 PolarHBondContact O-N 3.12Å; Y729-L732 VanDerWaalsContact O-N 3.16Å; L732-T736 HydrophobicContact CD1-CG2 4.13Å; L732-T736 HydrophobicContact CD2-CG2 4.47Å; L732-L737 HydrophobicContact CB-CD2 3.96Å; L732-L737 HydrophobicContact CB-CG 3.99Å; L732-L737 HydrophobicContact CD1-CD2 4.15Å; L732-I740 HydrophobicContact CD1-CD1 3.99Å
733D95Very high93.6Very high84 Ų8454.1 Ų54.145%0.44926%0.26SS..  trans-78.7161.5174.880.8-73000111.4Q735 T736 L737D733-Q735 VanDerWaalsContact C-N 3.29Å; D733-Q735 PolarHBondContact O-N 3.34Å; D733-Q735 WeakPolarHBondContact OD2-CA 3.28Å; D733-Q735 WeakPolarHBondContact OD2-CB 3.35Å; D733-Q735 PolarHBondContact OD2-N 2.95Å; D733-T736 PolarHBondContact O-N 2.81Å; D733-T736 WeakPolarHBondContact OD1-CB 3.5Å; D733-T736 PolarHBondContact OD1-N 3.03Å; D733-T736 PolarHBondContact OD1-OG1 3.47Å; D733-T736 PolarHBondContact OD2-N 3.44Å; D733-L737 VanDerWaalsContact O-CG 3.3Å; D733-L737 WeakPolarHBondContact O-CG 3.21Å; D733-L737 PolarHBondContact O-N 3.04Å
734A95.1Very high93.6Very high13 Ų1354.9 Ų54.911%0.10726%0.26CS..Hα-helixtrans-60.3-34.5-17700000113.4L737 F738 M760A734-L737 PolarHBondContact O-N 2.73Å; A734-F738 HydrophobicContact CB-CD2 4.43Å; A734-F738 HydrophobicContact CB-CE2 3.86Å; A734-F738 HydrophobicContact CB-CZ 4.35Å; A734-F738 WeakPolarHBondContact O-CD2 3.32Å; A734-F738 WeakPolarHBondContact O-CE2 3.42Å; A734-F738 WeakPolarHBondContact O-CG 3.37Å; A734-F738 PolarHBondContact O-N 2.81Å; A734-M760 HydrophobicContact CB-CE 4.22Å
735Q94.7Very high93.7Very high73 Ų7354.4 Ų54.434%0.34126%0.255SS..Hα-helixtrans-66.1-45.3-179.8-167.675.416.300111D733 L737 F738 F739 Y793 M798D733-Q735 VanDerWaalsContact C-N 3.29Å; D733-Q735 PolarHBondContact O-N 3.34Å; D733-Q735 WeakPolarHBondContact OD2-CA 3.28Å; D733-Q735 WeakPolarHBondContact OD2-CB 3.35Å; D733-Q735 PolarHBondContact OD2-N 2.95Å; Q735-L737 VanDerWaalsContact C-N 3.33Å; Q735-L737 PolarHBondContact O-N 3.35Å; Q735-F738 PolarHBondContact O-N 3.21Å; Q735-F739 PolarHBondContact O-N 3.35Å; Q735-Y793 PolarHBondContact NE2-OH 2.67Å; Q735-Y793 VanDerWaalsContact NE2-OH 3.16Å; Q735-M798 PolarHBondContact NE2-O 2.99Å
736T95.4Very high93.5Very high54 Ų5454 Ų5433%0.33127%0.267SS..Hα-helixtrans-62.9-40.9174.8-59.10000111.3L732 D733 F739 I740L732-T736 HydrophobicContact CD1-CG2 4.13Å; L732-T736 HydrophobicContact CD2-CG2 4.47Å; D733-T736 PolarHBondContact O-N 2.81Å; D733-T736 WeakPolarHBondContact OD1-CB 3.5Å; D733-T736 PolarHBondContact OD1-N 3.03Å; D733-T736 PolarHBondContact OD1-OG1 3.47Å; D733-T736 PolarHBondContact OD2-N 3.44Å; T736-F739 PolarHBondContact O-N 3.19Å; T736-I740 HydrophobicContact CG2-CD1 4.02Å; T736-I740 WeakPolarHBondContact O-CG1 3.49Å; T736-I740 PolarHBondContact O-N 3.39Å
737L96.4Very high93.4Very high0 Ų053.9 Ų53.90%027%0.268CS..Hα-helixtrans-64.3-39.7176.9-66.7171.2000112.5Y729 L732 D733 A734 Q735 F741 A753 A756 L757 M760Y729-L737 HydrophobicContact CD1-CD2 4.27Å; L732-L737 HydrophobicContact CB-CD2 3.96Å; L732-L737 HydrophobicContact CB-CG 3.99Å; L732-L737 HydrophobicContact CD1-CD2 4.15Å; D733-L737 VanDerWaalsContact O-CG 3.3Å; D733-L737 WeakPolarHBondContact O-CG 3.21Å; D733-L737 PolarHBondContact O-N 3.04Å; A734-L737 PolarHBondContact O-N 2.73Å; Q735-L737 VanDerWaalsContact C-N 3.33Å; Q735-L737 PolarHBondContact O-N 3.35Å; L737-F741 VanDerWaalsContact O-CB 3.29Å; L737-F741 WeakPolarHBondContact O-CB 3.24Å; L737-F741 PolarHBondContact O-N 2.88Å; L737-A753 HydrophobicContact CD2-CB 4.05Å; L737-A756 HydrophobicContact CD1-CB 3.83Å; L737-A756 HydrophobicContact CD2-CB 3.85Å; L737-L757 HydrophobicContact CB-CD1 4.19Å; L737-L757 HydrophobicContact CB-CD2 3.93Å; L737-L757 HydrophobicContact CB-CG 3.92Å; L737-L757 HydrophobicContact CD1-CD2 4.17Å; L737-L757 HydrophobicContact CD1-CG 4.32Å; L737-M760 HydrophobicContact CD1-SD 3.62Å
738F96.3Very high93.4Very high0 Ų053.4 Ų53.40%026%0.264CS..Hα-helixtrans-66.2-43.5173.1-63.2-46.8000112A734 Q735 I740 F741 Y742 L757 W762 W771 Y793A734-F738 HydrophobicContact CB-CD2 4.43Å; A734-F738 HydrophobicContact CB-CE2 3.86Å; A734-F738 HydrophobicContact CB-CZ 4.35Å; A734-F738 WeakPolarHBondContact O-CD2 3.32Å; A734-F738 WeakPolarHBondContact O-CE2 3.42Å; A734-F738 WeakPolarHBondContact O-CG 3.37Å; A734-F738 PolarHBondContact O-N 2.81Å; Q735-F738 PolarHBondContact O-N 3.21Å; F738-I740 PolarHBondContact O-N 3.39Å; F738-F741 PolarHBondContact O-N 2.95Å; F738-F741 VanDerWaalsContact O-N 3.14Å; F738-Y742 HydrophobicContact CB-CD2 4.4Å; F738-Y742 HydrophobicContact CB-CE2 4.23Å; F738-Y742 WeakPolarHBondContact O-CD2 3.16Å; F738-Y742 PolarHBondContact O-N 2.89Å; F738-L757 HydrophobicContact CD1-CD1 3.67Å; F738-L757 HydrophobicContact CD1-CD2 4.06Å; F738-L757 HydrophobicContact CE1-CD1 3.69Å; F738-L757 HydrophobicContact CE1-CD2 3.5Å; F738-L757 HydrophobicContact CE1-CG 4.24Å; F738-L757 HydrophobicContact CZ-CD2 3.86Å; F738-W762 HydrophobicContact CE1-CD2 4.39Å; F738-W762 HydrophobicContact CE1-CE3 4.32Å; F738-W762 HydrophobicContact CE2-CH2 4.24Å; F738-W762 HydrophobicContact CE2-CZ2 4.26Å; F738-W762 AromaticContact CZ-CD2 3.83Å; F738-W762 HydrophobicContact CZ-CD2 3.83Å; F738-W762 AromaticContact CZ-CE2 3.82Å; F738-W762 AromaticContact CZ-CE3 3.79Å; F738-W762 HydrophobicContact CZ-CE3 3.79Å; F738-W762 AromaticContact CZ-CH2 3.82Å; F738-W762 HydrophobicContact CZ-CH2 3.82Å; F738-W762 AromaticContact CZ-CZ2 3.84Å; F738-W762 HydrophobicContact CZ-CZ2 3.84Å; F738-W762 AromaticContact CZ-CZ3 3.79Å; F738-W762 HydrophobicContact CZ-CZ3 3.79Å; F738-W771 HydrophobicContact CD1-CB 4.34Å; F738-W771 AromaticContact CD1-CD1 3.9Å; F738-W771 HydrophobicContact CD1-CG 4.22Å; F738-W771 HydrophobicContact CE1-CB 3.55Å; F738-W771 AromaticContact CE1-CD1 3.9Å; F738-W771 AromaticContact CE1-CG 3.74Å; F738-W771 HydrophobicContact CE1-CG 3.74Å; F738-W771 HydrophobicContact CZ-CB 4.29Å; F738-Y793 HydrophobicContact CB-CD1 3.92Å; F738-Y793 HydrophobicContact CB-CD2 4.24Å; F738-Y793 HydrophobicContact CB-CE1 3.7Å; F738-Y793 HydrophobicContact CB-CE2 4.06Å; F738-Y793 HydrophobicContact CB-CG 4.14Å; F738-Y793 HydrophobicContact CD1-CD1 4.35Å; F738-Y793 HydrophobicContact CD1-CG 4.11Å; F738-Y793 HydrophobicContact CD2-CD1 4.11Å; F738-Y793 AromaticContact CD2-CD2 3.11Å; F738-Y793 HydrophobicContact CD2-CD2 3.11Å; F738-Y793 HydrophobicContact CD2-CE1 4.39Å; F738-Y793 AromaticContact CD2-CE2 3.49Å; F738-Y793 HydrophobicContact CD2-CE2 3.49Å; F738-Y793 VanDerWaalsContact CD2-CE2 3.49Å; F738-Y793 AromaticContact CD2-CG 3.44Å; F738-Y793 HydrophobicContact CD2-CG 3.44Å; F738-Y793 VanDerWaalsContact CD2-CG 3.44Å; F738-Y793 HydrophobicContact CE1-CG 4.42Å; F738-Y793 AromaticContact CE2-CD2 3.5Å; F738-Y793 HydrophobicContact CE2-CD2 3.5Å; F738-Y793 HydrophobicContact CE2-CE2 4.26Å; F738-Y793 AromaticContact CE2-CG 3.79Å; F738-Y793 HydrophobicContact CE2-CG 3.79Å; F738-Y793 AromaticContact CG-CD1 3.88Å; F738-Y793 HydrophobicContact CG-CD1 3.88Å; F738-Y793 AromaticContact CG-CD2 3.76Å; F738-Y793 HydrophobicContact CG-CD2 3.76Å; F738-Y793 HydrophobicContact CG-CE1 4.14Å; F738-Y793 HydrophobicContact CG-CE2 4.05Å; F738-Y793 AromaticContact CG-CG 3.63Å; F738-Y793 HydrophobicContact CG-CG 3.63Å; F738-Y793 HydrophobicContact CZ-CD2 4.4Å; F738-Y793 HydrophobicContact CZ-CG 4.27Å
739F94.3Very high93.3Very high82 Ų8249.5 Ų49.536%0.3625%0.252SS..Hα-helixtrans-56.5-49.1175.3177.8-103.3000111.4I704 Q735 T736 F741 Y742 Y743 F744 M798I704-F739 HydrophobicContact CD1-CE1 4.14Å; I704-F739 HydrophobicContact CD1-CE2 4.38Å; I704-F739 HydrophobicContact CD1-CZ 3.59Å; Q735-F739 PolarHBondContact O-N 3.35Å; T736-F739 PolarHBondContact O-N 3.19Å; F739-F741 VanDerWaalsContact C-N 3.32Å; F739-F741 PolarHBondContact O-N 3.37Å; F739-Y742 PolarHBondContact O-N 3.26Å; F739-Y743 AromaticContact CD2-CD2 3.58Å; F739-Y743 HydrophobicContact CD2-CD2 3.58Å; F739-Y743 AromaticContact CD2-CE2 3.78Å; F739-Y743 HydrophobicContact CD2-CE2 3.78Å; F739-Y743 HydrophobicContact CD2-CG 4Å; F739-Y743 AromaticContact CE2-CD1 3.95Å; F739-Y743 HydrophobicContact CE2-CD1 3.95Å; F739-Y743 AromaticContact CE2-CD2 3.85Å; F739-Y743 HydrophobicContact CE2-CD2 3.85Å; F739-Y743 HydrophobicContact CE2-CE1 4.14Å; F739-Y743 HydrophobicContact CE2-CE2 4.06Å; F739-Y743 AromaticContact CE2-CG 3.8Å; F739-Y743 HydrophobicContact CE2-CG 3.8Å; F739-Y743 HydrophobicContact CG-CD2 4.31Å; F739-Y743 HydrophobicContact CZ-CG 4.39Å; F739-Y743 WeakPolarHBondContact O-CB 3.34Å; F739-Y743 VanDerWaalsContact O-CD2 3.28Å; F739-Y743 WeakPolarHBondContact O-CD2 3.29Å; F739-Y743 PolarHBondContact O-N 2.76Å; F739-F744 HydrophobicContact CD1-CE2 4.39Å; F739-F744 AromaticContact CE1-CE2 3.93Å; F739-F744 HydrophobicContact CE1-CE2 3.93Å; F739-M798 HydrophobicContact CD2-CE 4.1Å
740I94.1Very high93.2Very high20 Ų2050 Ų5010%0.10326%0.256CS..Hα-helixtrans-60.5-42.9175.7-64.4166.7000111.1Y729 L732 T736 F738 Y742 F744 A749 A753Y729-I740 HydrophobicContact CD1-CD1 4.47Å; Y729-I740 HydrophobicContact CE1-CD1 3.92Å; Y729-I740 HydrophobicContact CE1-CG2 4.28Å; L732-I740 HydrophobicContact CD1-CD1 3.99Å; T736-I740 HydrophobicContact CG2-CD1 4.02Å; T736-I740 WeakPolarHBondContact O-CG1 3.49Å; T736-I740 PolarHBondContact O-N 3.39Å; F738-I740 PolarHBondContact O-N 3.39Å; I740-Y742 PolarHBondContact O-N 2.94Å; I740-F744 HydrophobicContact CG2-CD2 4.47Å; I740-F744 WeakPolarHBondContact O-CB 3.46Å; I740-F744 PolarHBondContact O-N 2.68Å; I740-A749 HydrophobicContact CG2-CB 3.67Å; I740-A749 WeakPolarHBondContact CG2-O 3.3Å; I740-A753 HydrophobicContact CB-CB 4.05Å; I740-A753 HydrophobicContact CG2-CB 3.84Å
741F94.5Very high93.2Very high24 Ų2451.2 Ų51.211%0.10526%0.257CS..Hα-helixtrans-62.9-39.4-176.8-179.5-92.2000113.9L737 F738 F739 Q750 A754 F764 W771L737-F741 VanDerWaalsContact O-CB 3.29Å; L737-F741 WeakPolarHBondContact O-CB 3.24Å; L737-F741 PolarHBondContact O-N 2.88Å; F738-F741 PolarHBondContact O-N 2.95Å; F738-F741 VanDerWaalsContact O-N 3.14Å; F739-F741 VanDerWaalsContact C-N 3.32Å; F739-F741 PolarHBondContact O-N 3.37Å; F741-Q750 HydrophobicContact CD2-CG 3.82Å; F741-Q750 HydrophobicContact CE2-CG 4.16Å; F741-Q750 HydrophobicContact CG-CG 4.48Å; F741-Q750 PolarHBondContact O-NE2 2.96Å; F741-A754 HydrophobicContact CD2-CB 4Å; F741-A754 HydrophobicContact CE2-CB 3.98Å; F741-F764 HydrophobicContact CE1-CD2 4.16Å; F741-F764 AromaticContact CE1-CE2 3.51Å; F741-F764 HydrophobicContact CE1-CE2 3.51Å; F741-F764 AromaticContact CE1-CZ 3.98Å; F741-F764 HydrophobicContact CE1-CZ 3.98Å; F741-F764 HydrophobicContact CZ-CD2 4Å; F741-F764 HydrophobicContact CZ-CE1 4.48Å; F741-F764 AromaticContact CZ-CE2 3.62Å; F741-F764 HydrophobicContact CZ-CE2 3.62Å; F741-F764 AromaticContact CZ-CZ 3.87Å; F741-F764 HydrophobicContact CZ-CZ 3.87Å; F741-W771 AromaticContact CD1-CD1 3.97Å; F741-W771 AromaticContact CD1-NE1 3.26Å; F741-W771 VanDerWaalsContact CD1-NE1 3.26Å; F741-W771 AromaticContact CD2-CZ2 3.89Å; F741-W771 HydrophobicContact CD2-CZ2 3.89Å; F741-W771 AromaticContact CD2-NE1 3.69Å; F741-W771 AromaticContact CE1-NE1 3.26Å; F741-W771 VanDerWaalsContact CE1-NE1 3.26Å; F741-W771 AromaticContact CE2-CE2 3.97Å; F741-W771 AromaticContact CE2-CZ2 3.62Å; F741-W771 HydrophobicContact CE2-CZ2 3.62Å; F741-W771 AromaticContact CE2-NE1 3.69Å; F741-W771 AromaticContact CG-NE1 3.48Å; F741-W771 HydrophobicContact CZ-CZ2 4.06Å; F741-W771 AromaticContact CZ-NE1 3.48Å
742Y93.3Very high93.3Very high36 Ų3645 Ų4514%0.14123%0.229CC..Hα-helixtrans-90.5-31.4-178.4-64.2-71.2000114.1F738 F739 I740 M769 Y793 Y795F738-Y742 HydrophobicContact CB-CD2 4.4Å; F738-Y742 HydrophobicContact CB-CE2 4.23Å; F738-Y742 WeakPolarHBondContact O-CD2 3.16Å; F738-Y742 PolarHBondContact O-N 2.89Å; F739-Y742 PolarHBondContact O-N 3.26Å; I740-Y742 PolarHBondContact O-N 2.94Å; Y742-M769 WeakPolarHBondContact CE1-O 3.42Å; Y742-M769 PolarHBondContact OH-O 2.91Å; Y742-Y793 HydrophobicContact CD2-CD1 4.38Å; Y742-Y793 HydrophobicContact CD2-CE1 4.15Å; Y742-Y793 AromaticContact CE2-CD1 3.57Å; Y742-Y793 HydrophobicContact CE2-CD1 3.57Å; Y742-Y793 AromaticContact CE2-CE1 3.8Å; Y742-Y793 HydrophobicContact CE2-CE1 3.8Å; Y742-Y795 HydrophobicContact CD1-CG 4.41Å; Y742-Y795 AromaticContact CE1-CD1 3.97Å; Y742-Y795 HydrophobicContact CE1-CD1 3.97Å; Y742-Y795 HydrophobicContact CE1-CG 4.13Å
743Y90.7Very high93.3Very high35 Ų3543.5 Ų43.514%0.13722%0.222CC..Hα-helixtrans-92.3-20.7-172.9-73-105.5000114Y548 I703 I704 F739 M798Y548-Y743 WeakPolarHBondContact OH-CE1 3.45Å; Y548-Y743 PolarHBondContact OH-OH 2.99Å; I703-Y743 HydrophobicContact CB-CD1 4.39Å; I703-Y743 HydrophobicContact CG2-CD1 4.39Å; I703-Y743 PolarHBondContact N-O 3.36Å; I704-Y743 HydrophobicContact CD1-CD1 4.07Å; I704-Y743 HydrophobicContact CD1-CG 4.34Å; I704-Y743 HydrophobicContact CG1-CD1 4.06Å; F739-Y743 AromaticContact CD2-CD2 3.58Å; F739-Y743 HydrophobicContact CD2-CD2 3.58Å; F739-Y743 AromaticContact CD2-CE2 3.78Å; F739-Y743 HydrophobicContact CD2-CE2 3.78Å; F739-Y743 HydrophobicContact CD2-CG 4Å; F739-Y743 AromaticContact CE2-CD1 3.95Å; F739-Y743 HydrophobicContact CE2-CD1 3.95Å; F739-Y743 AromaticContact CE2-CD2 3.85Å; F739-Y743 HydrophobicContact CE2-CD2 3.85Å; F739-Y743 HydrophobicContact CE2-CE1 4.14Å; F739-Y743 HydrophobicContact CE2-CE2 4.06Å; F739-Y743 AromaticContact CE2-CG 3.8Å; F739-Y743 HydrophobicContact CE2-CG 3.8Å; F739-Y743 HydrophobicContact CG-CD2 4.31Å; F739-Y743 HydrophobicContact CZ-CG 4.39Å; F739-Y743 WeakPolarHBondContact O-CB 3.34Å; F739-Y743 VanDerWaalsContact O-CD2 3.28Å; F739-Y743 WeakPolarHBondContact O-CD2 3.29Å; F739-Y743 PolarHBondContact O-N 2.76Å; Y743-M798 HydrophobicContact CE2-CE 3.66Å; Y743-M798 HydrophobicContact CE2-SD 4.06Å
744F89.8Confident93.3Very high51 Ų5139.8 Ų39.822%0.22420%0.203CC..BIsolated β-bridgetrans-113.448.3-177.2-63.2-104.7000111.8M702 I704 F739 I740 G746 T747 Q750M702-F744 HydrophobicContact CE-CD1 3.69Å; M702-F744 HydrophobicContact CE-CE1 3.84Å; M702-F744 HydrophobicContact CG-CD1 4.39Å; M702-F744 HydrophobicContact SD-CD1 4.19Å; I704-F744 HydrophobicContact CD1-CE2 3.72Å; I704-F744 HydrophobicContact CD1-CZ 3.84Å; F739-F744 HydrophobicContact CD1-CE2 4.39Å; F739-F744 AromaticContact CE1-CE2 3.93Å; F739-F744 HydrophobicContact CE1-CE2 3.93Å; I740-F744 HydrophobicContact CG2-CD2 4.47Å; I740-F744 WeakPolarHBondContact O-CB 3.46Å; I740-F744 PolarHBondContact O-N 2.68Å; F744-G746 PolarHBondContact O-N 3.23Å; F744-T747 HydrophobicContact CB-CG2 3.99Å; F744-T747 WeakPolarHBondContact CB-OG1 3.34Å; F744-T747 WeakPolarHBondContact O-CB 3.29Å; F744-T747 VanDerWaalsContact O-CG2 3.3Å; F744-T747 WeakPolarHBondContact O-CG2 3.32Å; F744-T747 PolarHBondContact O-N 3.31Å; F744-T747 PolarHBondContact O-OG1 3.31Å; F744-Q750 WeakPolarHBondContact O-CB 3.47Å
745E89.9Confident93.3Very high73 Ų7341 Ų4134%0.34121%0.206SC..THydrogen-bonded Turntrans-60.9134.1-174.9-154.9-153.292.400112.4S700 R701S700-E745 PolarHBondContact OG-O 3.3Å; R701-E745 CarbonylContact C-O 3.45Å; R701-E745 HydrophobicContact CB-CB 4.22Å; R701-E745 IonicContact CZ-OE1 3.18Å; R701-E745 PolarHBondContact N-O 2.71Å; R701-E745 VanDerWaalsContact N-O 3.13Å; R701-E745 IonicContact NE-OE1 3.75Å; R701-E745 PolarHBondContact NE-OE1 3Å; R701-E745 IonicContact NH2-OE1 3.52Å; R701-E745 PolarHBondContact NH2-OE1 3.46Å; R701-E745 IonicContact NH2-OE2 2.77Å; R701-E745 WeakPolarHBondContact O-CB 3.33Å
746G86.8Confident93.4Very high58 Ų5837.6 Ų37.660%0.59819%0.19SC*.THydrogen-bonded Turntrans86.6-5.4-178.600000115.4S700 F744S700-G746 VanDerWaalsContact OG-C 3.32Å; F744-G746 PolarHBondContact O-N 3.23Å
747T89.3Confident93.4Very high23 Ų2335 Ų3514%0.14117%0.174CC..SBendtrans-87.7161.7-173.867.30000114.8S700 M702 F744 A749 Q750 Y751S700-T747 VanDerWaalsContact OG-CG2 3.29Å; S700-T747 WeakPolarHBondContact OG-CG2 3.44Å; S700-T747 PolarHBondContact OG-N 2.91Å; M702-T747 HydrophobicContact CG-CG2 3.68Å; M702-T747 HydrophobicContact SD-CG2 3.66Å; F744-T747 HydrophobicContact CB-CG2 3.99Å; F744-T747 WeakPolarHBondContact CB-OG1 3.34Å; F744-T747 WeakPolarHBondContact O-CB 3.29Å; F744-T747 VanDerWaalsContact O-CG2 3.3Å; F744-T747 WeakPolarHBondContact O-CG2 3.32Å; F744-T747 PolarHBondContact O-N 3.31Å; F744-T747 PolarHBondContact O-OG1 3.31Å; T747-A749 PolarHBondContact O-N 3.46Å; T747-A749 WeakPolarHBondContact OG1-CB 3.49Å; T747-A749 PolarHBondContact OG1-N 2.8Å; T747-Q750 PolarHBondContact O-N 2.88Å; T747-Q750 PolarHBondContact OG1-N 3.2Å; T747-Q750 VanDerWaalsContact OG1-N 3.07Å; T747-Y751 PolarHBondContact O-N 3.19Å
748K91.7Very high93.3Very high109 Ų10937 Ų3747%0.47418%0.183SC..Hα-helixtrans-52.3-33.4164.4-163.3-158.4-169.2-153.40111.8D724 Y752D724-K748 PolarHBondContact O-NZ 3Å; D724-K748 IonicContact OD2-NZ 2.63Å; D724-K748 PolarHBondContact OD2-NZ 3.1Å; K748-Y752 HydrophobicContact CD-CD2 4.5Å; K748-Y752 HydrophobicContact CD-CE2 3.71Å; K748-Y752 VanDerWaalsContact CE-CE2 3.45Å; K748-Y752 VanDerWaalsContact CE-OH 3.29Å; K748-Y752 WeakPolarHBondContact CE-OH 3.35Å; K748-Y752 HydrophobicContact CG-CD2 4.19Å; K748-Y752 HydrophobicContact CG-CE2 3.69Å; K748-Y752 WeakPolarHBondContact O-CD2 3.47Å; K748-Y752 PolarHBondContact O-N 3.35Å
749A92.3Very high93.2Very high17 Ų1744.6 Ų44.614%0.1421%0.211CC..Hα-helixtrans-70.7-44.6-178.900000112.3Y729 I740 T747 Y751 Y752 A753Y729-A749 HydrophobicContact CE1-CB 4.23Å; Y729-A749 WeakPolarHBondContact CE1-O 3.31Å; Y729-A749 VanDerWaalsContact OH-CB 3.24Å; Y729-A749 WeakPolarHBondContact OH-CB 3.35Å; I740-A749 HydrophobicContact CG2-CB 3.67Å; I740-A749 WeakPolarHBondContact CG2-O 3.3Å; T747-A749 PolarHBondContact O-N 3.46Å; T747-A749 WeakPolarHBondContact OG1-CB 3.49Å; T747-A749 PolarHBondContact OG1-N 2.8Å; A749-Y751 VanDerWaalsContact C-N 3.29Å; A749-Y751 PolarHBondContact O-N 3.32Å; A749-Y752 PolarHBondContact O-N 3.5Å; A749-A753 VanDerWaalsContact O-CB 3.32Å; A749-A753 WeakPolarHBondContact O-CB 3.36Å; A749-A753 PolarHBondContact O-N 2.88Å
750Q94.4Very high93.2Very high39 Ų3944.3 Ų44.318%0.18221%0.212CC..Hα-helixtrans-58.8-41.1173.7177.6-177.657.200111.6F741 F744 T747 A753 A754F741-Q750 HydrophobicContact CD2-CG 3.82Å; F741-Q750 HydrophobicContact CE2-CG 4.16Å; F741-Q750 HydrophobicContact CG-CG 4.48Å; F741-Q750 PolarHBondContact O-NE2 2.96Å; F744-Q750 WeakPolarHBondContact O-CB 3.47Å; T747-Q750 PolarHBondContact O-N 2.88Å; T747-Q750 PolarHBondContact OG1-N 3.2Å; T747-Q750 VanDerWaalsContact OG1-N 3.07Å; Q750-A753 PolarHBondContact O-N 3.05Å; Q750-A754 WeakPolarHBondContact O-CB 3.38Å; Q750-A754 PolarHBondContact O-N 3.16Å
751Y94Very high93.2Very high85 Ų8546.9 Ų46.933%0.33323%0.232SC..Hα-helixtrans-60.1-51.3176.5168.7-99.4000112.5T747 A749 A753 A754 K755 F818T747-Y751 PolarHBondContact O-N 3.19Å; A749-Y751 VanDerWaalsContact C-N 3.29Å; A749-Y751 PolarHBondContact O-N 3.32Å; Y751-A753 VanDerWaalsContact C-N 3.33Å; Y751-A753 PolarHBondContact O-N 3.45Å; Y751-A754 PolarHBondContact O-N 3.14Å; Y751-K755 WeakPolarHBondContact O-CB 3.33Å; Y751-K755 PolarHBondContact O-N 2.89Å; Y751-F818 HydrophobicContact CD2-CD1 4.38Å; Y751-F818 HydrophobicContact CD2-CG 4.48Å; Y751-F818 HydrophobicContact CE2-CB 3.86Å; Y751-F818 AromaticContact CE2-CD1 3.76Å; Y751-F818 HydrophobicContact CE2-CD1 3.76Å; Y751-F818 HydrophobicContact CE2-CD2 4.35Å; Y751-F818 HydrophobicContact CE2-CE1 4.33Å; Y751-F818 AromaticContact CE2-CG 3.78Å; Y751-F818 HydrophobicContact CE2-CG 3.78Å
752Y95.3Very high93.3Very high37 Ų3746 Ų4615%0.14523%0.228CC..Hα-helixtrans-65.9-35.5177-68.7-48.9000112.6D724 E726 Y729 K748 A749 K755 A756D724-Y752 WeakPolarHBondContact O-CE2 3.22Å; E726-Y752 HydrophobicContact CB-CD1 3.93Å; E726-Y752 HydrophobicContact CB-CE1 3.84Å; E726-Y752 HydrophobicContact CG-CD1 4.04Å; E726-Y752 HydrophobicContact CG-CE1 4.33Å; Y729-Y752 HydrophobicContact CD2-CD2 4.18Å; Y729-Y752 HydrophobicContact CD2-CG 4.3Å; Y729-Y752 HydrophobicContact CE2-CD2 4.04Å; Y729-Y752 HydrophobicContact CG-CG 4.43Å; K748-Y752 HydrophobicContact CD-CD2 4.5Å; K748-Y752 HydrophobicContact CD-CE2 3.71Å; K748-Y752 VanDerWaalsContact CE-CE2 3.45Å; K748-Y752 VanDerWaalsContact CE-OH 3.29Å; K748-Y752 WeakPolarHBondContact CE-OH 3.35Å; K748-Y752 HydrophobicContact CG-CD2 4.19Å; K748-Y752 HydrophobicContact CG-CE2 3.69Å; K748-Y752 WeakPolarHBondContact O-CD2 3.47Å; K748-Y752 PolarHBondContact O-N 3.35Å; A749-Y752 PolarHBondContact O-N 3.5Å; Y752-K755 PolarHBondContact O-N 3.34Å; Y752-A756 WeakPolarHBondContact O-CB 3.49Å; Y752-A756 PolarHBondContact O-N 3.22Å
753A95.9Very high93.4Very high0 Ų049.6 Ų49.60%024%0.241CC..Hα-helixtrans-63.8-45.117600000111.9Y729 L737 I740 A749 Q750 Y751 K755 A756 L757Y729-A753 HydrophobicContact CD1-CB 4.28Å; L737-A753 HydrophobicContact CD2-CB 4.05Å; I740-A753 HydrophobicContact CB-CB 4.05Å; I740-A753 HydrophobicContact CG2-CB 3.84Å; A749-A753 VanDerWaalsContact O-CB 3.32Å; A749-A753 WeakPolarHBondContact O-CB 3.36Å; A749-A753 PolarHBondContact O-N 2.88Å; Q750-A753 PolarHBondContact O-N 3.05Å; Y751-A753 VanDerWaalsContact C-N 3.33Å; Y751-A753 PolarHBondContact O-N 3.45Å; A753-K755 VanDerWaalsContact C-N 3.32Å; A753-K755 PolarHBondContact O-N 3.06Å; A753-A756 PolarHBondContact O-N 2.73Å; A753-L757 WeakPolarHBondContact O-CB 3.08Å; A753-L757 WeakPolarHBondContact O-CG 3.27Å; A753-L757 PolarHBondContact O-N 3.46Å
754A95.8Very high93.7Very high7 Ų749 Ų496%0.05824%0.239CC..Hα-helixtrans-60.7-40.8173.800000112.1F741 Q750 Y751 L757 K758 W771 F818F741-A754 HydrophobicContact CD2-CB 4Å; F741-A754 HydrophobicContact CE2-CB 3.98Å; Q750-A754 WeakPolarHBondContact O-CB 3.38Å; Q750-A754 PolarHBondContact O-N 3.16Å; Y751-A754 PolarHBondContact O-N 3.14Å; A754-L757 PolarHBondContact O-N 2.94Å; A754-K758 WeakPolarHBondContact O-CG 3.44Å; A754-K758 PolarHBondContact O-N 2.96Å; A754-W771 HydrophobicContact CB-CH2 4Å; A754-W771 HydrophobicContact CB-CZ2 3.8Å; A754-W771 WeakPolarHBondContact O-CH2 3.13Å; A754-F818 HydrophobicContact CB-CE2 4.44Å
755K94.6Very high94Very high39 Ų3946.6 Ų46.617%0.1723%0.229CC..Hα-helixtrans-67.5-39.8178.4-165.4166.3178.6-1780112.3E726 M730 Y751 Y752 A753 K758 R759 F818E726-K755 WeakPolarHBondContact OE1-CD 3.35Å; E726-K755 WeakPolarHBondContact OE1-CE 3.48Å; E726-K755 IonicContact OE1-NZ 3.02Å; E726-K755 PolarHBondContact OE1-NZ 3.45Å; E726-K755 WeakPolarHBondContact OE2-CD 3.49Å; E726-K755 VanDerWaalsContact OE2-CE 3.27Å; E726-K755 WeakPolarHBondContact OE2-CE 3.46Å; E726-K755 IonicContact OE2-NZ 2.63Å; E726-K755 PolarHBondContact OE2-NZ 2.73Å; M730-K755 HydrophobicContact CE-CB 4.44Å; M730-K755 HydrophobicContact CE-CG 4.15Å; Y751-K755 WeakPolarHBondContact O-CB 3.33Å; Y751-K755 PolarHBondContact O-N 2.89Å; Y752-K755 PolarHBondContact O-N 3.34Å; A753-K755 VanDerWaalsContact C-N 3.32Å; A753-K755 PolarHBondContact O-N 3.06Å; K755-K758 PolarHBondContact O-N 3.38Å; K755-R759 WeakPolarHBondContact O-CG 3.29Å; K755-R759 PolarHBondContact O-N 2.94Å; K755-R759 VanDerWaalsContact O-N 3.09Å; K755-F818 HydrophobicContact CD-CB 4.14Å; K755-F818 WeakPolarHBondContact CE-O 3.42Å; K755-F818 PolarHBondContact NZ-O 2.85Å
756A95.8Very high94.2Very high1 Ų145.5 Ų45.51%0.00823%0.227CC..Hα-helixtrans-63.2-46.2172.400000111.8M730 L737 Y752 A753 K758 R759 M760M730-A756 HydrophobicContact CE-CB 4.05Å; M730-A756 HydrophobicContact SD-CB 3.97Å; L737-A756 HydrophobicContact CD1-CB 3.83Å; L737-A756 HydrophobicContact CD2-CB 3.85Å; Y752-A756 WeakPolarHBondContact O-CB 3.49Å; Y752-A756 PolarHBondContact O-N 3.22Å; A753-A756 PolarHBondContact O-N 2.73Å; A756-K758 PolarHBondContact O-N 3.45Å; A756-R759 PolarHBondContact O-N 3.35Å; A756-R759 VanDerWaalsContact O-N 3.13Å; A756-M760 WeakPolarHBondContact O-CG 2.99Å; A756-M760 PolarHBondContact O-N 2.99Å
757L96.4Very high94.4Very high0 Ų049 Ų490%023%0.226CC..Hα-helixtrans-59.6-42.9175.4-71.6169.5000112.4L737 F738 A753 A754 R759 M760 S761 W762 W771L737-L757 HydrophobicContact CB-CD1 4.19Å; L737-L757 HydrophobicContact CB-CD2 3.93Å; L737-L757 HydrophobicContact CB-CG 3.92Å; L737-L757 HydrophobicContact CD1-CD2 4.17Å; L737-L757 HydrophobicContact CD1-CG 4.32Å; F738-L757 HydrophobicContact CD1-CD1 3.67Å; F738-L757 HydrophobicContact CD1-CD2 4.06Å; F738-L757 HydrophobicContact CE1-CD1 3.69Å; F738-L757 HydrophobicContact CE1-CD2 3.5Å; F738-L757 HydrophobicContact CE1-CG 4.24Å; F738-L757 HydrophobicContact CZ-CD2 3.86Å; A753-L757 WeakPolarHBondContact O-CB 3.08Å; A753-L757 WeakPolarHBondContact O-CG 3.27Å; A753-L757 PolarHBondContact O-N 3.46Å; A754-L757 PolarHBondContact O-N 2.94Å; L757-R759 VanDerWaalsContact C-N 3.35Å; L757-R759 PolarHBondContact O-N 3.44Å; L757-M760 CarbonylContact O-C 3.56Å; L757-M760 PolarHBondContact O-N 3.3Å; L757-M760 VanDerWaalsContact O-N 3.17Å; L757-S761 PolarHBondContact O-N 2.92Å; L757-W762 HydrophobicContact CB-CB 4.25Å; L757-W762 HydrophobicContact CD2-CG 4.25Å; L757-W762 WeakPolarHBondContact O-CB 3.49Å; L757-W762 PolarHBondContact O-N 3.41Å; L757-W771 HydrophobicContact CB-CD2 4.29Å; L757-W771 HydrophobicContact CB-CE3 4.02Å; L757-W771 HydrophobicContact CB-CH2 3.9Å; L757-W771 HydrophobicContact CB-CZ2 4.2Å; L757-W771 HydrophobicContact CB-CZ3 3.8Å; L757-W771 HydrophobicContact CD1-CD2 3.95Å; L757-W771 HydrophobicContact CD1-CG 4.27Å; L757-W771 HydrophobicContact CD1-CZ2 3.96Å
758K94.8Very high94.6Very high40 Ų4052 Ų5217%0.17424%0.237CC..Hα-helixtrans-60.8-39.4173.9-73.6-163.8-173.9-164.30112.5A754 K755 A756 S761 R763 W771 E814 K816 F818A754-K758 WeakPolarHBondContact O-CG 3.44Å; A754-K758 PolarHBondContact O-N 2.96Å; K755-K758 PolarHBondContact O-N 3.38Å; A756-K758 PolarHBondContact O-N 3.45Å; K758-S761 PolarHBondContact O-N 2.88Å; K758-R763 PolarHBondContact O-NH1 3.28Å; K758-W771 HydrophobicContact CG-CH2 4.02Å; K758-W771 HydrophobicContact CG-CZ3 3.94Å; K758-E814 PolarHBondContact NZ-O 3.47Å; K758-E814 IonicContact NZ-OE2 3.58Å; K758-E814 PolarHBondContact NZ-OE2 3.43Å; K758-K816 PolarHBondContact NZ-O 2.82Å; K758-F818 HydrophobicContact CD-CD2 4.47Å
759R94Very high94.7Very high160 Ų16051 Ų5160%0.60424%0.235SC*.Hα-helixtrans-68.4-33.1173.5-67.5-149.4-156.9-176.54.8113E726 M730 K755 A756 L757 S761E726-R759 IonicContact OE1-CZ 3.54Å; E726-R759 IonicContact OE1-NE 2.72Å; E726-R759 IonicContact OE1-NH2 3.47Å; E726-R759 PolarHBondContact OE1-NH2 2.89Å; M730-R759 HydrophobicContact CE-CG 3.94Å; M730-R759 VanDerWaalsContact CE-NE 3.35Å; M730-R759 HydrophobicContact SD-CB 4.05Å; M730-R759 VanDerWaalsContact SD-CD 3.5Å; M730-R759 HydrophobicContact SD-CG 3.93Å; K755-R759 WeakPolarHBondContact O-CG 3.29Å; K755-R759 PolarHBondContact O-N 2.94Å; K755-R759 VanDerWaalsContact O-N 3.09Å; A756-R759 PolarHBondContact O-N 3.35Å; A756-R759 VanDerWaalsContact O-N 3.13Å; L757-R759 VanDerWaalsContact C-N 3.35Å; L757-R759 PolarHBondContact O-N 3.44Å; R759-S761 PolarHBondContact O-N 3.46Å; R759-S761 VanDerWaalsContact O-N 3.11Å
760M93.9Very high94.9Very high77 Ų7751.6 Ų51.638%0.37924%0.235SC..THydrogen-bonded Turntrans-75.719.7171.2-65.7175.477.100113A734 L737 A756 L757 W762 Q773A734-M760 HydrophobicContact CB-CE 4.22Å; L737-M760 HydrophobicContact CD1-SD 3.62Å; A756-M760 WeakPolarHBondContact O-CG 2.99Å; A756-M760 PolarHBondContact O-N 2.99Å; L757-M760 CarbonylContact O-C 3.56Å; L757-M760 PolarHBondContact O-N 3.3Å; L757-M760 VanDerWaalsContact O-N 3.17Å; M760-W762 PolarHBondContact O-N 2.86Å; M760-Q773 PolarHBondContact O-NE2 2.87Å
761S94.8Very high95Very high73 Ų7349.9 Ų49.951%0.5123%0.227SC..THydrogen-bonded Turntrans59.920-179.6-620000116.1L757 K758 R759L757-S761 PolarHBondContact O-N 2.92Å; K758-S761 PolarHBondContact O-N 2.88Å; R759-S761 PolarHBondContact O-N 3.46Å; R759-S761 VanDerWaalsContact O-N 3.11Å
762W96.3Very high95.1Very high5 Ų546.1 Ų46.12%0.01921%0.213CC..  trans-79.8154.3167.1-63.678.7000111F738 L757 M760 W771 F772 Q773 I791 Q800F738-W762 HydrophobicContact CE1-CD2 4.39Å; F738-W762 HydrophobicContact CE1-CE3 4.32Å; F738-W762 HydrophobicContact CE2-CH2 4.24Å; F738-W762 HydrophobicContact CE2-CZ2 4.26Å; F738-W762 AromaticContact CZ-CD2 3.83Å; F738-W762 HydrophobicContact CZ-CD2 3.83Å; F738-W762 AromaticContact CZ-CE2 3.82Å; F738-W762 AromaticContact CZ-CE3 3.79Å; F738-W762 HydrophobicContact CZ-CE3 3.79Å; F738-W762 AromaticContact CZ-CH2 3.82Å; F738-W762 HydrophobicContact CZ-CH2 3.82Å; F738-W762 AromaticContact CZ-CZ2 3.84Å; F738-W762 HydrophobicContact CZ-CZ2 3.84Å; F738-W762 AromaticContact CZ-CZ3 3.79Å; F738-W762 HydrophobicContact CZ-CZ3 3.79Å; L757-W762 HydrophobicContact CB-CB 4.25Å; L757-W762 HydrophobicContact CD2-CG 4.25Å; L757-W762 WeakPolarHBondContact O-CB 3.49Å; L757-W762 PolarHBondContact O-N 3.41Å; M760-W762 PolarHBondContact O-N 2.86Å; W762-W771 HydrophobicContact CB-CE3 3.68Å; W762-W771 HydrophobicContact CB-CZ3 4.25Å; W762-W771 HydrophobicContact CE3-CB 3.88Å; W762-F772 CarbonylContact C-O 3.42Å; W762-F772 VanDerWaalsContact CA-O 3.32Å; W762-F772 WeakPolarHBondContact CA-O 3.48Å; W762-F772 VanDerWaalsContact CE3-C 3.46Å; W762-Q773 HydrophobicContact CD2-CB 3.72Å; W762-Q773 HydrophobicContact CE3-CB 3.74Å; W762-Q773 HydrophobicContact CG-CB 4.24Å; W762-Q773 HydrophobicContact CH2-CB 4.22Å; W762-Q773 HydrophobicContact CZ2-CB 4.2Å; W762-Q773 HydrophobicContact CZ3-CB 4Å; W762-I791 HydrophobicContact CH2-CD1 3.88Å; W762-I791 HydrophobicContact CH2-CG1 3.91Å; W762-I791 HydrophobicContact CZ2-CD1 4.13Å; W762-I791 HydrophobicContact CZ3-CG1 4.39Å; W762-Q800 HydrophobicContact CH2-CG 4.47Å
763R95.4Very high95.2Very high113 Ų11346.9 Ų46.943%0.42622%0.218SC..EExtended strand (participates in β ladder)trans-132.6132.3179.3-61.7-62.4176.9-103.98.4109K758 W771 F772 F808 L813K758-R763 PolarHBondContact O-NH1 3.28Å; R763-W771 WeakPolarHBondContact O-CA 3.49Å; R763-F772 PolarHBondContact N-O 2.99Å; R763-F772 PolarHBondContact O-N 3.11Å; R763-F808 HydrophobicContact CB-CE2 4.41Å; R763-F808 HydrophobicContact CB-CZ 4.45Å; R763-L813 HydrophobicContact CB-CD1 3.85Å; R763-L813 HydrophobicContact CG-CD1 4.29Å
764F96.8Very high95.2Very high21 Ų2152.9 Ų52.99%0.09224%0.24CC..EExtended strand (participates in β ladder)trans-90.6132.5-179.5-170.3-109.3000110.5F741 M769 M770 W771 E814F741-F764 HydrophobicContact CE1-CD2 4.16Å; F741-F764 AromaticContact CE1-CE2 3.51Å; F741-F764 HydrophobicContact CE1-CE2 3.51Å; F741-F764 AromaticContact CE1-CZ 3.98Å; F741-F764 HydrophobicContact CE1-CZ 3.98Å; F741-F764 HydrophobicContact CZ-CD2 4Å; F741-F764 HydrophobicContact CZ-CE1 4.48Å; F741-F764 AromaticContact CZ-CE2 3.62Å; F741-F764 HydrophobicContact CZ-CE2 3.62Å; F741-F764 AromaticContact CZ-CZ 3.87Å; F741-F764 HydrophobicContact CZ-CZ 3.87Å; F764-M769 HydrophobicContact CE1-SD 3.83Å; F764-M769 VanDerWaalsContact CE2-C 3.4Å; F764-M769 HydrophobicContact CZ-CB 4.07Å; F764-M769 HydrophobicContact CZ-SD 3.8Å; F764-M770 WeakPolarHBondContact CD2-O 3.41Å; F764-W771 HydrophobicContact CB-CD2 4.06Å; F764-W771 HydrophobicContact CB-CE3 3.94Å; F764-W771 HydrophobicContact CB-CH2 4.16Å; F764-W771 HydrophobicContact CB-CZ2 4.23Å; F764-W771 HydrophobicContact CB-CZ3 4.01Å; F764-W771 AromaticContact CD2-CD1 3.73Å; F764-W771 AromaticContact CD2-CD2 3.86Å; F764-W771 HydrophobicContact CD2-CD2 3.86Å; F764-W771 AromaticContact CD2-CE2 3.69Å; F764-W771 AromaticContact CD2-CG 3.91Å; F764-W771 HydrophobicContact CD2-CG 3.91Å; F764-W771 HydrophobicContact CD2-CZ2 4.32Å; F764-W771 AromaticContact CD2-NE1 3.57Å; F764-W771 AromaticContact CE2-NE1 3.98Å; F764-W771 HydrophobicContact CG-CD2 4.44Å; F764-E814 HydrophobicContact CB-CB 3.89Å; F764-E814 HydrophobicContact CD1-CB 4.02Å; F764-E814 HydrophobicContact CD1-CG 4.09Å; F764-E814 HydrophobicContact CG-CB 4.47Å; F764-E814 PolarHBondContact O-N 2.95Å
765H95.6Very high95.1Very high2 Ų257.2 Ų57.21%0.00926%0.259CS..EExtended strand (participates in β ladder)trans-107100.6-176-169.6-55.4000110.2K767 F768 M769 M770 F772 F806 F808 F812H765-K767 VanDerWaalsContact C-N 3.28Å; H765-K767 PolarHBondContact O-N 3.26Å; H765-K767 VanDerWaalsContact O-N 3.12Å; H765-F768 AromaticContact CD2-CD2 3.87Å; H765-F768 AromaticContact CE1-CD2 3.29Å; H765-F768 WeakPolarHBondContact CE1-CD2 3.31Å; H765-F768 AromaticContact CE1-CE2 3.46Å; H765-F768 VanDerWaalsContact CE1-CE2 3.46Å; H765-F768 WeakPolarHBondContact CE1-CE2 3.32Å; H765-F768 AromaticContact CG-CD2 3.72Å; H765-F768 AromaticContact ND1-CD2 3.34Å; H765-F768 VanDerWaalsContact ND1-CD2 3.34Å; H765-F768 WeakPolarHBondContact ND1-CD2 3.47Å; H765-F768 AromaticContact NE2-CD2 3.62Å; H765-F768 AromaticContact NE2-CE2 3.6Å; H765-F768 PolarHBondContact O-N 3.43Å; H765-M769 PolarHBondContact O-N 3.04Å; H765-M770 PolarHBondContact N-O 2.97Å; H765-F772 HydrophobicContact CB-CD2 3.66Å; H765-F772 HydrophobicContact CB-CE2 3.54Å; H765-F806 AromaticContact CD2-CZ 3.84Å; H765-F806 AromaticContact NE2-CZ 3.85Å; H765-F808 HydrophobicContact CB-CE2 3.92Å; H765-F808 HydrophobicContact CB-CZ 3.82Å; H765-F808 AromaticContact CD2-CD2 3.76Å; H765-F808 AromaticContact CD2-CE1 3.85Å; H765-F808 AromaticContact CD2-CE2 3.59Å; H765-F808 AromaticContact CD2-CG 3.96Å; H765-F808 AromaticContact CD2-CZ 3.63Å; H765-F808 AromaticContact CG-CZ 3.96Å; H765-F812 CarbonylContact C-O 3.12Å; H765-F812 WeakPolarHBondContact CA-O 3.25Å; H765-F812 WeakPolarHBondContact CE1-CB 3.14Å; H765-F812 AromaticContact CE1-CD2 3.6Å; H765-F812 AromaticContact CE1-CG 3.7Å
766T93.8Very high95Very high50 Ų5060 Ų6031%0.30727%0.272SS..THydrogen-bonded Turntrans-58.9-31.2-167.1610000114.5M769 F812 E814T766-M769 VanDerWaalsContact O-CE 3.26Å; T766-M769 WeakPolarHBondContact O-CE 3.38Å; T766-M769 VanDerWaalsContact O-SD 3.35Å; T766-F812 PolarHBondContact N-O 3.18Å; T766-F812 WeakPolarHBondContact OG1-CA 3.44Å; T766-F812 PolarHBondContact OG1-O 3.19Å; T766-E814 HydrophobicContact CG2-CB 4.06Å; T766-E814 HydrophobicContact CG2-CG 4.16Å
767K92.7Very high94.8Very high132 Ų13268.4 Ų68.457%0.57431%0.312SS*.THydrogen-bonded Turntrans-69.7-35.1174.5-178.2-177.9176.5-1760114.3H765 F812H765-K767 VanDerWaalsContact C-N 3.28Å; H765-K767 PolarHBondContact O-N 3.26Å; H765-K767 VanDerWaalsContact O-N 3.12Å; K767-F812 HydrophobicContact CB-CB 4.3Å; K767-F812 HydrophobicContact CB-CD1 3.71Å; K767-F812 HydrophobicContact CB-CD2 4.2Å; K767-F812 HydrophobicContact CB-CE1 4.06Å; K767-F812 HydrophobicContact CB-CG 3.8Å; K767-F812 HydrophobicContact CB-CZ 4.46Å; K767-F812 HydrophobicContact CD-CD2 4.2Å; K767-F812 HydrophobicContact CD-CE1 4.18Å; K767-F812 HydrophobicContact CD-CE2 3.81Å; K767-F812 HydrophobicContact CD-CZ 3.81Å
768F92.8Very high94.6Very high84 Ų8469.3 Ų69.337%0.36832%0.318SS..THydrogen-bonded Turntrans-99.8-10.7-175.5-64.5-54.6000112.6H765 M770 F772 F806H765-F768 AromaticContact CD2-CD2 3.87Å; H765-F768 AromaticContact CE1-CD2 3.29Å; H765-F768 WeakPolarHBondContact CE1-CD2 3.31Å; H765-F768 AromaticContact CE1-CE2 3.46Å; H765-F768 VanDerWaalsContact CE1-CE2 3.46Å; H765-F768 WeakPolarHBondContact CE1-CE2 3.32Å; H765-F768 AromaticContact CG-CD2 3.72Å; H765-F768 AromaticContact ND1-CD2 3.34Å; H765-F768 VanDerWaalsContact ND1-CD2 3.34Å; H765-F768 WeakPolarHBondContact ND1-CD2 3.47Å; H765-F768 AromaticContact NE2-CD2 3.62Å; H765-F768 AromaticContact NE2-CE2 3.6Å; H765-F768 PolarHBondContact O-N 3.43Å; F768-M770 HydrophobicContact CB-CB 4.19Å; F768-M770 HydrophobicContact CB-CG 4.35Å; F768-M770 HydrophobicContact CB-SD 3.98Å; F768-M770 WeakPolarHBondContact O-CG 3.43Å; F768-M770 PolarHBondContact O-N 3.15Å; F768-F772 HydrophobicContact CD2-CE2 4.38Å; F768-F772 HydrophobicContact CD2-CZ 4.16Å; F768-F806 HydrophobicContact CD2-CE2 4.45Å; F768-F806 HydrophobicContact CD2-CZ 4.16Å; F768-F806 AromaticContact CE2-CE2 3.82Å; F768-F806 HydrophobicContact CE2-CE2 3.82Å; F768-F806 AromaticContact CE2-CZ 3.77Å; F768-F806 HydrophobicContact CE2-CZ 3.77Å
769M93.8Very high94.5Very high90 Ų9074.6 Ų74.644%0.44334%0.341SS..THydrogen-bonded Turntrans51.542.7-172.2-59.3-60.3-177.400112.2Y742 F764 H765 T766Y742-M769 WeakPolarHBondContact CE1-O 3.42Å; Y742-M769 PolarHBondContact OH-O 2.91Å; F764-M769 HydrophobicContact CE1-SD 3.83Å; F764-M769 VanDerWaalsContact CE2-C 3.4Å; F764-M769 HydrophobicContact CZ-CB 4.07Å; F764-M769 HydrophobicContact CZ-SD 3.8Å; H765-M769 PolarHBondContact O-N 3.04Å; T766-M769 VanDerWaalsContact O-CE 3.26Å; T766-M769 WeakPolarHBondContact O-CE 3.38Å; T766-M769 VanDerWaalsContact O-SD 3.35Å
770M95.8Very high94.4Very high28 Ų2870.9 Ų70.914%0.13833%0.33CS..EExtended strand (participates in β ladder)trans-131.3148.7-173.5-79166141.600111.1F764 H765 F768 F772 Y792 D794 Y795F764-M770 WeakPolarHBondContact CD2-O 3.41Å; H765-M770 PolarHBondContact N-O 2.97Å; F768-M770 HydrophobicContact CB-CB 4.19Å; F768-M770 HydrophobicContact CB-CG 4.35Å; F768-M770 HydrophobicContact CB-SD 3.98Å; F768-M770 WeakPolarHBondContact O-CG 3.43Å; F768-M770 PolarHBondContact O-N 3.15Å; M770-F772 HydrophobicContact CB-CD2 4.31Å; M770-F772 HydrophobicContact CB-CE2 3.7Å; M770-F772 HydrophobicContact CB-CZ 4.47Å; M770-Y792 HydrophobicContact CE-CD2 3.89Å; M770-Y792 HydrophobicContact CE-CE2 3.81Å; M770-Y792 HydrophobicContact SD-CD2 4.13Å; M770-Y792 HydrophobicContact SD-CE2 4.43Å; M770-D794 HydrophobicContact CE-CB 4.23Å; M770-Y795 HydrophobicContact CG-CD1 4.01Å; M770-Y795 HydrophobicContact CG-CE1 4.08Å
771W97.1Very high94.4Very high3 Ų372.2 Ų72.21%0.01134%0.338CS..EExtended strand (participates in β ladder)trans-91133.1171.1-70.493.3000110.6F738 F741 A754 L757 K758 W762 R763 F764 Y792 Y793F738-W771 HydrophobicContact CD1-CB 4.34Å; F738-W771 AromaticContact CD1-CD1 3.9Å; F738-W771 HydrophobicContact CD1-CG 4.22Å; F738-W771 HydrophobicContact CE1-CB 3.55Å; F738-W771 AromaticContact CE1-CD1 3.9Å; F738-W771 AromaticContact CE1-CG 3.74Å; F738-W771 HydrophobicContact CE1-CG 3.74Å; F738-W771 HydrophobicContact CZ-CB 4.29Å; F741-W771 AromaticContact CD1-CD1 3.97Å; F741-W771 AromaticContact CD1-NE1 3.26Å; F741-W771 VanDerWaalsContact CD1-NE1 3.26Å; F741-W771 AromaticContact CD2-CZ2 3.89Å; F741-W771 HydrophobicContact CD2-CZ2 3.89Å; F741-W771 AromaticContact CD2-NE1 3.69Å; F741-W771 AromaticContact CE1-NE1 3.26Å; F741-W771 VanDerWaalsContact CE1-NE1 3.26Å; F741-W771 AromaticContact CE2-CE2 3.97Å; F741-W771 AromaticContact CE2-CZ2 3.62Å; F741-W771 HydrophobicContact CE2-CZ2 3.62Å; F741-W771 AromaticContact CE2-NE1 3.69Å; F741-W771 AromaticContact CG-NE1 3.48Å; F741-W771 HydrophobicContact CZ-CZ2 4.06Å; F741-W771 AromaticContact CZ-NE1 3.48Å; A754-W771 HydrophobicContact CB-CH2 4Å; A754-W771 HydrophobicContact CB-CZ2 3.8Å; A754-W771 WeakPolarHBondContact O-CH2 3.13Å; L757-W771 HydrophobicContact CB-CD2 4.29Å; L757-W771 HydrophobicContact CB-CE3 4.02Å; L757-W771 HydrophobicContact CB-CH2 3.9Å; L757-W771 HydrophobicContact CB-CZ2 4.2Å; L757-W771 HydrophobicContact CB-CZ3 3.8Å; L757-W771 HydrophobicContact CD1-CD2 3.95Å; L757-W771 HydrophobicContact CD1-CG 4.27Å; L757-W771 HydrophobicContact CD1-CZ2 3.96Å; K758-W771 HydrophobicContact CG-CH2 4.02Å; K758-W771 HydrophobicContact CG-CZ3 3.94Å; W762-W771 HydrophobicContact CB-CE3 3.68Å; W762-W771 HydrophobicContact CB-CZ3 4.25Å; W762-W771 HydrophobicContact CE3-CB 3.88Å; R763-W771 WeakPolarHBondContact O-CA 3.49Å; F764-W771 HydrophobicContact CB-CD2 4.06Å; F764-W771 HydrophobicContact CB-CE3 3.94Å; F764-W771 HydrophobicContact CB-CH2 4.16Å; F764-W771 HydrophobicContact CB-CZ2 4.23Å; F764-W771 HydrophobicContact CB-CZ3 4.01Å; F764-W771 AromaticContact CD2-CD1 3.73Å; F764-W771 AromaticContact CD2-CD2 3.86Å; F764-W771 HydrophobicContact CD2-CD2 3.86Å; F764-W771 AromaticContact CD2-CE2 3.69Å; F764-W771 AromaticContact CD2-CG 3.91Å; F764-W771 HydrophobicContact CD2-CG 3.91Å; F764-W771 HydrophobicContact CD2-CZ2 4.32Å; F764-W771 AromaticContact CD2-NE1 3.57Å; F764-W771 AromaticContact CE2-NE1 3.98Å; F764-W771 HydrophobicContact CG-CD2 4.44Å; W771-Y792 CarbonylContact O-C 3.54Å; W771-Y792 VanDerWaalsContact O-CA 3.22Å; W771-Y792 WeakPolarHBondContact O-CA 3.37Å; W771-Y793 PolarHBondContact O-N 3.09Å
772F96.9Very high94.4Very high7 Ų770.7 Ų70.73%0.03133%0.325CS..EExtended strand (participates in β ladder)trans-121.3148.7177.7-69.7-106.7000110.6W762 R763 H765 F768 M770 Y790 I791 Y792 F806 F808W762-F772 CarbonylContact C-O 3.42Å; W762-F772 VanDerWaalsContact CA-O 3.32Å; W762-F772 WeakPolarHBondContact CA-O 3.48Å; W762-F772 VanDerWaalsContact CE3-C 3.46Å; R763-F772 PolarHBondContact N-O 2.99Å; R763-F772 PolarHBondContact O-N 3.11Å; H765-F772 HydrophobicContact CB-CD2 3.66Å; H765-F772 HydrophobicContact CB-CE2 3.54Å; F768-F772 HydrophobicContact CD2-CE2 4.38Å; F768-F772 HydrophobicContact CD2-CZ 4.16Å; M770-F772 HydrophobicContact CB-CD2 4.31Å; M770-F772 HydrophobicContact CB-CE2 3.7Å; M770-F772 HydrophobicContact CB-CZ 4.47Å; F772-Y790 HydrophobicContact CB-CD1 4.45Å; F772-I791 CarbonylContact C-O 3.48Å; F772-I791 WeakPolarHBondContact CA-O 3.39Å; F772-Y792 HydrophobicContact CE1-CG 4.16Å; F772-Y792 HydrophobicContact CZ-CG 4.49Å; F772-F806 HydrophobicContact CD1-CD1 4.11Å; F772-F806 AromaticContact CD1-CE1 3.8Å; F772-F806 HydrophobicContact CD1-CE1 3.8Å; F772-F806 HydrophobicContact CD1-CZ 4.25Å; F772-F806 AromaticContact CE1-CD1 3.9Å; F772-F806 HydrophobicContact CE1-CD1 3.9Å; F772-F806 HydrophobicContact CE1-CD2 4.28Å; F772-F806 AromaticContact CE1-CE1 3.47Å; F772-F806 HydrophobicContact CE1-CE1 3.47Å; F772-F806 VanDerWaalsContact CE1-CE1 3.47Å; F772-F806 AromaticContact CE1-CE2 3.9Å; F772-F806 HydrophobicContact CE1-CE2 3.9Å; F772-F806 HydrophobicContact CE1-CG 4.29Å; F772-F806 AromaticContact CE1-CZ 3.47Å; F772-F806 HydrophobicContact CE1-CZ 3.47Å; F772-F806 VanDerWaalsContact CE1-CZ 3.47Å; F772-F806 HydrophobicContact CE2-CZ 4.46Å; F772-F806 HydrophobicContact CZ-CE1 4.01Å; F772-F806 HydrophobicContact CZ-CE2 4.1Å; F772-F806 AromaticContact CZ-CZ 3.6Å; F772-F806 HydrophobicContact CZ-CZ 3.6Å; F772-F808 HydrophobicContact CB-CD2 4.34Å; F772-F808 HydrophobicContact CB-CE2 4.03Å; F772-F808 HydrophobicContact CD2-CE2 4.16Å; F772-F808 HydrophobicContact CG-CD2 4.33Å; F772-F808 HydrophobicContact CG-CE2 4.13Å
773Q96.2Very high94.3Very high53 Ų5378.6 Ų78.625%0.24837%0.368CS..EExtended strand (participates in β ladder)trans-135138.7169.7-174.6-179.249.900108.2M760 W762 H775 Y790 I791M760-Q773 PolarHBondContact O-NE2 2.87Å; W762-Q773 HydrophobicContact CD2-CB 3.72Å; W762-Q773 HydrophobicContact CE3-CB 3.74Å; W762-Q773 HydrophobicContact CG-CB 4.24Å; W762-Q773 HydrophobicContact CH2-CB 4.22Å; W762-Q773 HydrophobicContact CZ2-CB 4.2Å; W762-Q773 HydrophobicContact CZ3-CB 4Å; Q773-H775 PolarHBondContact O-N 2.81Å; Q773-Y790 WeakPolarHBondContact O-CA 2.91Å; Q773-I791 HydrophobicContact CB-CG1 3.95Å; Q773-I791 PolarHBondContact N-O 3.16Å; Q773-I791 PolarHBondContact O-N 2.87Å
774R96.3Very high94.2Very high125 Ų12580 Ų8047%0.47238%0.379SS..EExtended strand (participates in β ladder)trans-62.9126.6173.8-69.8176.6-177.6172.43.9109E786 Y790R774-E786 IonicContact CZ-OE1 3.35Å; R774-E786 IonicContact CZ-OE2 2.67Å; R774-E786 IonicContact NE-OE1 2.64Å; R774-E786 PolarHBondContact NE-OE1 3.44Å; R774-E786 IonicContact NE-OE2 3.49Å; R774-E786 IonicContact NH2-OE1 2.83Å; R774-E786 PolarHBondContact NH2-OE1 3.3Å; R774-E786 IonicContact NH2-OE2 3.71Å; R774-E786 PolarHBondContact NH2-OE2 3.39Å; R774-Y790 HydrophobicContact CB-CE1 4.44Å; R774-Y790 HydrophobicContact CG-CD1 4.16Å; R774-Y790 HydrophobicContact CG-CE1 3.57Å
775H94.4Very high94.1Very high98 Ų9881.3 Ų81.345%0.45438%0.384SS..SBendtrans-90.1-35.8176.4-176.774.7000111.2Q773 S789 I791 K802Q773-H775 PolarHBondContact O-N 2.81Å; H775-S789 WeakPolarHBondContact CB-O 3.32Å; H775-S789 PolarHBondContact N-O 2.61Å; H775-I791 HydrophobicContact CB-CG2 4.24Å; H775-K802 WeakPolarHBondContact CD2-CE 3.43Å; H775-K802 PolarHBondContact CD2-NZ 2.86Å; H775-K802 PolarHBondContact NE2-NZ 2.58Å
776E92.3Very high94.1Very high97 Ų9781.9 Ų81.945%0.45339%0.387SS..SBendtrans-132.2171.3172.7-60.9151-127.400107.7S789 K802E776-S789 PolarHBondContact N-O 3.09Å; E776-S789 WeakPolarHBondContact OE1-CB 3.22Å; E776-S789 PolarHBondContact OE1-OG 3.13Å; E776-K802 IonicContact OE1-NZ 3.64Å; E776-K802 PolarHBondContact OE1-NZ 2.82Å
777E91.1Very high94.1Very high178 Ų17880.5 Ų80.583%0.83238%0.379SS*.  trans-64.6140.6170.2-65.2-168.3144.200110.5K779E777-K779 PolarHBondContact O-N 2.97Å
778P92.1Very high94.2Very high19 Ų1974.2 Ų74.212%0.12335%0.352CS..  trans-67.1132-177.627.3-34.8000111.2Q780 I781 E786 S787P778-Q780 PolarHBondContact O-N 3.41Å; P778-Q780 VanDerWaalsContact O-N 3.14Å; P778-I781 HydrophobicContact CB-CG1 4.33Å; P778-I781 HydrophobicContact CG-CD1 3.8Å; P778-I781 HydrophobicContact CG-CG1 3.62Å; P778-E786 HydrophobicContact CB-CB 4.17Å; P778-E786 HydrophobicContact CG-CB 4.43Å; P778-S787 CarbonylContact C-O 3.52Å; P778-S787 VanDerWaalsContact C-O 3.32Å; P778-S787 WeakPolarHBondContact CA-O 3.38Å; P778-S787 VanDerWaalsContact CB-O 3.29Å; P778-S787 WeakPolarHBondContact CB-O 3.31Å
779K91.5Very high94.4Very high151 Ų15170.5 Ų70.566%0.65734%0.336SS*.SBendtrans-57.1-26.7177.4-60.7-174.5-177.8-174.10112.7E777 S787 E805E777-K779 PolarHBondContact O-N 2.97Å; K779-S787 PolarHBondContact N-O 3.47Å; K779-E805 IonicContact NZ-OE1 2.76Å; K779-E805 PolarHBondContact NZ-OE1 2.83Å
780Q92.7Very high94.5Very high83 Ų8366.5 Ų66.539%0.38832%0.316SS..EExtended strand (participates in β ladder)trans-145138.2178.8-170.2-174.20.100110.2P778 T782 Y785 E786 S787P778-Q780 PolarHBondContact O-N 3.41Å; P778-Q780 VanDerWaalsContact O-N 3.14Å; Q780-T782 HydrophobicContact CG-CG2 4.16Å; Q780-Y785 PolarHBondContact NE2-OH 3.17Å; Q780-E786 CarbonylContact O-C 3.59Å; Q780-E786 WeakPolarHBondContact O-CA 3.22Å; Q780-S787 PolarHBondContact N-O 2.87Å; Q780-S787 VanDerWaalsContact N-O 3.16Å; Q780-S787 PolarHBondContact O-N 2.83Å
781I94.2Very high94.5Very high105 Ų10566.5 Ų66.554%0.53832%0.317SS..EExtended strand (participates in β ladder)trans-126.7136.2168.7-54.3176.9000107.5P778 E786P778-I781 HydrophobicContact CB-CG1 4.33Å; P778-I781 HydrophobicContact CG-CD1 3.8Å; P778-I781 HydrophobicContact CG-CG1 3.62Å; I781-E786 HydrophobicContact CG1-CB 4.49Å
782T95.1Very high94.5Very high41 Ų4168.3 Ų68.325%0.25232%0.324SS..  trans-139167.9174.668.30000108.9Q780 E784 Y785 Y810Q780-T782 HydrophobicContact CG-CG2 4.16Å; T782-E784 PolarHBondContact O-N 3.26Å; T782-E784 VanDerWaalsContact O-N 3.15Å; T782-E784 PolarHBondContact OG1-N 2.83Å; T782-Y785 HydrophobicContact CG2-CE1 4.19Å; T782-Y785 HydrophobicContact CG2-CE2 4.23Å; T782-Y785 PolarHBondContact N-O 3.47Å; T782-Y785 VanDerWaalsContact OG1-CD1 3.3Å; T782-Y785 WeakPolarHBondContact OG1-CD1 3.27Å; T782-Y785 PolarHBondContact OG1-N 2.98Å; T782-Y785 PolarHBondContact OG1-O 2.77Å; T782-Y810 VanDerWaalsContact O-CE2 3.31Å; T782-Y810 WeakPolarHBondContact O-CE2 3.32Å
783D93.6Very high94.5Very high170 Ų17068 Ų6891%0.90932%0.322SS*.SBendtrans-65.4-15.6178-59.4-35.4000113.7
784E93.3Very high94.3Very high143 Ų14366.1 Ų66.167%0.66831%0.314SS*.SBendtrans-104.7-30-178.9-63.9-173.3177.200114T782 H809 Y810T782-E784 PolarHBondContact O-N 3.26Å; T782-E784 VanDerWaalsContact O-N 3.15Å; T782-E784 PolarHBondContact OG1-N 2.83Å; E784-H809 WeakPolarHBondContact O-CA 3.37Å; E784-Y810 PolarHBondContact O-N 3.19Å
785Y94.3Very high94Very high49 Ų4963 Ų6319%0.19230%0.303CS..EExtended strand (participates in β ladder)trans-157.8156.5-175.967.6-92000113.8Q780 T782 M807 F808Q780-Y785 PolarHBondContact NE2-OH 3.17Å; T782-Y785 HydrophobicContact CG2-CE1 4.19Å; T782-Y785 HydrophobicContact CG2-CE2 4.23Å; T782-Y785 PolarHBondContact N-O 3.47Å; T782-Y785 VanDerWaalsContact OG1-CD1 3.3Å; T782-Y785 WeakPolarHBondContact OG1-CD1 3.27Å; T782-Y785 PolarHBondContact OG1-N 2.98Å; T782-Y785 PolarHBondContact OG1-O 2.77Å; Y785-M807 HydrophobicContact CD1-SD 4.42Å; Y785-M807 HydrophobicContact CD2-CE 4.12Å; Y785-M807 HydrophobicContact CD2-CG 3.6Å; Y785-M807 HydrophobicContact CD2-SD 3.94Å; Y785-M807 HydrophobicContact CE2-CE 3.78Å; Y785-M807 HydrophobicContact CE2-CG 4.26Å; Y785-M807 HydrophobicContact CE2-SD 4.13Å; Y785-M807 HydrophobicContact CG-CG 3.9Å; Y785-M807 HydrophobicContact CG-SD 4.09Å; Y785-F808 VanDerWaalsContact CA-O 3.27Å; Y785-F808 WeakPolarHBondContact CA-O 3.3Å; Y785-F808 WeakPolarHBondContact CB-O 3.42Å
786E95.8Very high93.7Very high14 Ų1465.5 Ų65.57%0.06531%0.308CS..EExtended strand (participates in β ladder)trans-111.2148.3161.452.1-177.1-105.100110.8R774 P778 Q780 I781 Y790 M807 F808 Y810R774-E786 IonicContact CZ-OE1 3.35Å; R774-E786 IonicContact CZ-OE2 2.67Å; R774-E786 IonicContact NE-OE1 2.64Å; R774-E786 PolarHBondContact NE-OE1 3.44Å; R774-E786 IonicContact NE-OE2 3.49Å; R774-E786 IonicContact NH2-OE1 2.83Å; R774-E786 PolarHBondContact NH2-OE1 3.3Å; R774-E786 IonicContact NH2-OE2 3.71Å; R774-E786 PolarHBondContact NH2-OE2 3.39Å; P778-E786 HydrophobicContact CB-CB 4.17Å; P778-E786 HydrophobicContact CG-CB 4.43Å; Q780-E786 CarbonylContact O-C 3.59Å; Q780-E786 WeakPolarHBondContact O-CA 3.22Å; I781-E786 HydrophobicContact CG1-CB 4.49Å; E786-Y790 VanDerWaalsContact CD-OH 3.25Å; E786-Y790 WeakPolarHBondContact CG-OH 3.09Å; E786-Y790 PolarHBondContact OE1-OH 3.43Å; E786-M807 CarbonylContact O-C 3.56Å; E786-M807 WeakPolarHBondContact O-CA 3.21Å; E786-F808 HydrophobicContact CG-CB 3.95Å; E786-F808 PolarHBondContact N-O 3.25Å; E786-F808 PolarHBondContact O-N 3.11Å; E786-Y810 HydrophobicContact CG-CE1 3.82Å; E786-Y810 VanDerWaalsContact OE2-CE1 3.22Å; E786-Y810 WeakPolarHBondContact OE2-CE1 2.95Å; E786-Y810 PolarHBondContact OE2-OH 3.04Å
787S93.7Very high93.5Very high20 Ų2064 Ų6414%0.1431%0.306CS..EExtended strand (participates in β ladder)trans-129.6130.4177.5-176.30000110.6P778 K779 Q780 F806P778-S787 CarbonylContact C-O 3.52Å; P778-S787 VanDerWaalsContact C-O 3.32Å; P778-S787 WeakPolarHBondContact CA-O 3.38Å; P778-S787 VanDerWaalsContact CB-O 3.29Å; P778-S787 WeakPolarHBondContact CB-O 3.31Å; K779-S787 PolarHBondContact N-O 3.47Å; Q780-S787 PolarHBondContact N-O 2.87Å; Q780-S787 VanDerWaalsContact N-O 3.16Å; Q780-S787 PolarHBondContact O-N 2.83Å; S787-F806 WeakPolarHBondContact CA-O 3.33Å
788G94.6Very high93.4Very high0 Ų058 Ų580%028%0.278CS..EExtended strand (participates in β ladder)trans-179.4-162.4-16900000116.1E805 F806G788-E805 WeakPolarHBondContact O-CA 3.32Å; G788-E805 PolarHBondContact O-N 3.35Å; G788-E805 VanDerWaalsContact O-N 3.07Å; G788-F806 PolarHBondContact N-O 3.19Å; G788-F806 PolarHBondContact O-N 2.8Å
789S96.5Very high93.3Very high7 Ų765.5 Ų65.55%0.04930%0.304CS..EExtended strand (participates in β ladder)trans-101.8119.5179.7-169.70000109.1H775 E776 K802H775-S789 WeakPolarHBondContact CB-O 3.32Å; H775-S789 PolarHBondContact N-O 2.61Å; E776-S789 PolarHBondContact N-O 3.09Å; E776-S789 WeakPolarHBondContact OE1-CB 3.22Å; E776-S789 PolarHBondContact OE1-OG 3.13Å; S789-K802 WeakPolarHBondContact OG-CE 3.5Å; S789-K802 PolarHBondContact OG-NZ 3.45Å
790Y97Very high93.4Very high5 Ų562.6 Ų62.62%0.0229%0.293CS..EExtended strand (participates in β ladder)trans-127.6149.7-175.8-63.8-100.2000111F772 Q773 R774 E786 K802 K803 F806F772-Y790 HydrophobicContact CB-CD1 4.45Å; Q773-Y790 WeakPolarHBondContact O-CA 2.91Å; R774-Y790 HydrophobicContact CB-CE1 4.44Å; R774-Y790 HydrophobicContact CG-CD1 4.16Å; R774-Y790 HydrophobicContact CG-CE1 3.57Å; E786-Y790 VanDerWaalsContact CD-OH 3.25Å; E786-Y790 WeakPolarHBondContact CG-OH 3.09Å; E786-Y790 PolarHBondContact OE1-OH 3.43Å; Y790-K802 CarbonylContact O-C 3.32Å; Y790-K802 WeakPolarHBondContact O-CA 3.35Å; Y790-K803 PolarHBondContact N-O 3.35Å; Y790-K803 PolarHBondContact O-N 2.9Å; Y790-F806 HydrophobicContact CD2-CB 3.84Å; Y790-F806 AromaticContact CD2-CD1 3.92Å; Y790-F806 HydrophobicContact CD2-CD1 3.92Å; Y790-F806 HydrophobicContact CD2-CG 4.36Å; Y790-F806 HydrophobicContact CE2-CB 4.4Å; Y790-F806 HydrophobicContact CE2-CD1 4.21Å; Y790-F806 HydrophobicContact CG-CD1 4.27Å
791I96.5Very high93.5Very high29 Ų2964.7 Ų64.715%0.14930%0.297CS..EExtended strand (participates in β ladder)trans-99.3145.2155.261.5175.6000109.1W762 F772 Q773 H775 R801 K802W762-I791 HydrophobicContact CH2-CD1 3.88Å; W762-I791 HydrophobicContact CH2-CG1 3.91Å; W762-I791 HydrophobicContact CZ2-CD1 4.13Å; W762-I791 HydrophobicContact CZ3-CG1 4.39Å; F772-I791 CarbonylContact C-O 3.48Å; F772-I791 WeakPolarHBondContact CA-O 3.39Å; Q773-I791 HydrophobicContact CB-CG1 3.95Å; Q773-I791 PolarHBondContact N-O 3.16Å; Q773-I791 PolarHBondContact O-N 2.87Å; H775-I791 HydrophobicContact CB-CG2 4.24Å; I791-R801 CarbonylContact C-O 3.52Å; I791-R801 VanDerWaalsContact CA-O 3.32Å; I791-R801 WeakPolarHBondContact CA-O 3.16Å; I791-K802 HydrophobicContact CG2-CB 4.41Å
792Y96.4Very high93.6Very high40 Ų4063.6 Ų63.616%0.15729%0.289CS..EExtended strand (participates in β ladder)trans-137.2153.7177.869.5-79.4000110.3M770 W771 F772 D794 Q800 R801 K803M770-Y792 HydrophobicContact CE-CD2 3.89Å; M770-Y792 HydrophobicContact CE-CE2 3.81Å; M770-Y792 HydrophobicContact SD-CD2 4.13Å; M770-Y792 HydrophobicContact SD-CE2 4.43Å; W771-Y792 CarbonylContact O-C 3.54Å; W771-Y792 VanDerWaalsContact O-CA 3.22Å; W771-Y792 WeakPolarHBondContact O-CA 3.37Å; F772-Y792 HydrophobicContact CE1-CG 4.16Å; F772-Y792 HydrophobicContact CZ-CG 4.49Å; Y792-D794 HydrophobicContact CE2-CB 4.12Å; Y792-Q800 CarbonylContact O-C 3.56Å; Y792-Q800 WeakPolarHBondContact O-CA 3.46Å; Y792-R801 HydrophobicContact CD1-CB 4.23Å; Y792-R801 WeakPolarHBondContact CD1-O 3.33Å; Y792-R801 HydrophobicContact CE1-CB 3.58Å; Y792-R801 WeakPolarHBondContact CE1-O 3.5Å; Y792-R801 HydrophobicContact CE2-CB 4.24Å; Y792-R801 PolarHBondContact N-O 2.87Å; Y792-R801 PolarHBondContact O-N 2.78Å; Y792-K803 HydrophobicContact CD1-CB 3.98Å; Y792-K803 HydrophobicContact CE1-CB 3.77Å
793Y96.6Very high93.5Very high0 Ų066.9 Ų66.90%030%0.299CS..EExtended strand (participates in β ladder)trans-91.7118173.9-170.7-97.2000111Q735 F738 Y742 W771 Y795 M798 Q800Q735-Y793 PolarHBondContact NE2-OH 2.67Å; Q735-Y793 VanDerWaalsContact NE2-OH 3.16Å; F738-Y793 HydrophobicContact CB-CD1 3.92Å; F738-Y793 HydrophobicContact CB-CD2 4.24Å; F738-Y793 HydrophobicContact CB-CE1 3.7Å; F738-Y793 HydrophobicContact CB-CE2 4.06Å; F738-Y793 HydrophobicContact CB-CG 4.14Å; F738-Y793 HydrophobicContact CD1-CD1 4.35Å; F738-Y793 HydrophobicContact CD1-CG 4.11Å; F738-Y793 HydrophobicContact CD2-CD1 4.11Å; F738-Y793 AromaticContact CD2-CD2 3.11Å; F738-Y793 HydrophobicContact CD2-CD2 3.11Å; F738-Y793 HydrophobicContact CD2-CE1 4.39Å; F738-Y793 AromaticContact CD2-CE2 3.49Å; F738-Y793 HydrophobicContact CD2-CE2 3.49Å; F738-Y793 VanDerWaalsContact CD2-CE2 3.49Å; F738-Y793 AromaticContact CD2-CG 3.44Å; F738-Y793 HydrophobicContact CD2-CG 3.44Å; F738-Y793 VanDerWaalsContact CD2-CG 3.44Å; F738-Y793 HydrophobicContact CE1-CG 4.42Å; F738-Y793 AromaticContact CE2-CD2 3.5Å; F738-Y793 HydrophobicContact CE2-CD2 3.5Å; F738-Y793 HydrophobicContact CE2-CE2 4.26Å; F738-Y793 AromaticContact CE2-CG 3.79Å; F738-Y793 HydrophobicContact CE2-CG 3.79Å; F738-Y793 AromaticContact CG-CD1 3.88Å; F738-Y793 HydrophobicContact CG-CD1 3.88Å; F738-Y793 AromaticContact CG-CD2 3.76Å; F738-Y793 HydrophobicContact CG-CD2 3.76Å; F738-Y793 HydrophobicContact CG-CE1 4.14Å; F738-Y793 HydrophobicContact CG-CE2 4.05Å; F738-Y793 AromaticContact CG-CG 3.63Å; F738-Y793 HydrophobicContact CG-CG 3.63Å; F738-Y793 HydrophobicContact CZ-CD2 4.4Å; F738-Y793 HydrophobicContact CZ-CG 4.27Å; Y742-Y793 HydrophobicContact CD2-CD1 4.38Å; Y742-Y793 HydrophobicContact CD2-CE1 4.15Å; Y742-Y793 AromaticContact CE2-CD1 3.57Å; Y742-Y793 HydrophobicContact CE2-CD1 3.57Å; Y742-Y793 AromaticContact CE2-CE1 3.8Å; Y742-Y793 HydrophobicContact CE2-CE1 3.8Å; W771-Y793 PolarHBondContact O-N 3.09Å; Y793-Y795 PolarHBondContact O-N 3.32Å; Y793-M798 HydrophobicContact CE1-SD 4.1Å; Y793-M798 WeakPolarHBondContact OH-CA 3.27Å; Y793-M798 WeakPolarHBondContact OH-CE 3.32Å; Y793-M798 PolarHBondContact OH-O 2.79Å; Y793-M798 PolarHBondContact OH-SD 2.87Å; Y793-Q800 HydrophobicContact CD2-CG 4.04Å
794D93.1Very high93.5Very high14 Ų1464.3 Ų64.38%0.07528%0.282CS..EExtended strand (participates in β ladder)trans-88.499.5173.7179.51.8000109.8M770 Y792 R796 T797 M798 R799 R801M770-D794 HydrophobicContact CE-CB 4.23Å; Y792-D794 HydrophobicContact CE2-CB 4.12Å; D794-R796 PolarHBondContact O-N 3.26Å; D794-R796 WeakPolarHBondContact OD1-CB 3.39Å; D794-R796 PolarHBondContact OD1-N 2.99Å; D794-T797 WeakPolarHBondContact CB-OG1 3.3Å; D794-T797 CarbonylContact O-C 3.55Å; D794-T797 PolarHBondContact O-N 3.05Å; D794-T797 PolarHBondContact OD1-N 3.18Å; D794-T797 VanDerWaalsContact OD2-CG2 3.32Å; D794-T797 WeakPolarHBondContact OD2-CG2 3.47Å; D794-T797 PolarHBondContact OD2-OG1 3Å; D794-M798 VanDerWaalsContact O-CA 3.3Å; D794-M798 WeakPolarHBondContact O-CA 3.45Å; D794-M798 PolarHBondContact O-N 3.07Å; D794-R799 WeakPolarHBondContact CB-O 3.2Å; D794-R799 PolarHBondContact N-O 3.05Å; D794-R799 PolarHBondContact O-N 3.13Å; D794-R801 HydrophobicContact CB-CG 4.23Å; D794-R801 IonicContact OD2-NH1 3.31Å
795Y88.9Confident93.4Very high60 Ų6063.7 Ų63.724%0.23528%0.279CS..THydrogen-bonded Turntrans-67.8-19179.269.5-99.3000113.4Y742 M770 Y793Y742-Y795 HydrophobicContact CD1-CG 4.41Å; Y742-Y795 AromaticContact CE1-CD1 3.97Å; Y742-Y795 HydrophobicContact CE1-CD1 3.97Å; Y742-Y795 HydrophobicContact CE1-CG 4.13Å; M770-Y795 HydrophobicContact CG-CD1 4.01Å; M770-Y795 HydrophobicContact CG-CE1 4.08Å; Y793-Y795 PolarHBondContact O-N 3.32Å
796R87.5Confident93.4Very high151 Ų15162.6 Ų62.657%0.5728%0.275SS*.THydrogen-bonded Turntrans-78-31.6175-72-176.9163.3-148.1-2.1112.3M552 D794M552-R796 PolarHBondContact O-NH2 2.9Å; D794-R796 PolarHBondContact O-N 3.26Å; D794-R796 WeakPolarHBondContact OD1-CB 3.39Å; D794-R796 PolarHBondContact OD1-N 2.99Å
797T89.6Confident93.3Very high65 Ų6565.8 Ų65.840%0.39929%0.291SS..THydrogen-bonded Turntrans-104.50.2175.865.30000113.9D794 R799D794-T797 WeakPolarHBondContact CB-OG1 3.3Å; D794-T797 CarbonylContact O-C 3.55Å; D794-T797 PolarHBondContact O-N 3.05Å; D794-T797 PolarHBondContact OD1-N 3.18Å; D794-T797 VanDerWaalsContact OD2-CG2 3.32Å; D794-T797 WeakPolarHBondContact OD2-CG2 3.47Å; D794-T797 PolarHBondContact OD2-OG1 3Å; T797-R799 WeakPolarHBondContact O-CG 3.46Å; T797-R799 PolarHBondContact O-N 2.99Å
798M87.3Confident93.3Very high51 Ų5165 Ų6525%0.25129%0.285SS..THydrogen-bonded Turntrans51.836.6-176.7-69.3-68-7900113.9Q735 F739 Y743 Y793 D794Q735-M798 PolarHBondContact NE2-O 2.99Å; F739-M798 HydrophobicContact CD2-CE 4.1Å; Y743-M798 HydrophobicContact CE2-CE 3.66Å; Y743-M798 HydrophobicContact CE2-SD 4.06Å; Y793-M798 HydrophobicContact CE1-SD 4.1Å; Y793-M798 WeakPolarHBondContact OH-CA 3.27Å; Y793-M798 WeakPolarHBondContact OH-CE 3.32Å; Y793-M798 PolarHBondContact OH-O 2.79Å; Y793-M798 PolarHBondContact OH-SD 2.87Å; D794-M798 VanDerWaalsContact O-CA 3.3Å; D794-M798 WeakPolarHBondContact O-CA 3.45Å; D794-M798 PolarHBondContact O-N 3.07Å
799R91.7Very high93.4Very high178 Ų17868 Ų6867%0.67230%0.299SS*.EExtended strand (participates in β ladder)trans-138.9151.1-172.4-72.3170.7-167.3-148.71.4112.1D794 T797D794-R799 WeakPolarHBondContact CB-O 3.2Å; D794-R799 PolarHBondContact N-O 3.05Å; D794-R799 PolarHBondContact O-N 3.13Å; T797-R799 WeakPolarHBondContact O-CG 3.46Å; T797-R799 PolarHBondContact O-N 2.99Å
800Q93.5Very high93.3Very high90 Ų9071.1 Ų71.142%0.42131%0.31SS..EExtended strand (participates in β ladder)trans-75.6142.6167.4-62.5-179.126.300110.5W762 Y792 Y793W762-Q800 HydrophobicContact CH2-CG 4.47Å; Y792-Q800 CarbonylContact O-C 3.56Å; Y792-Q800 WeakPolarHBondContact O-CA 3.46Å; Y793-Q800 HydrophobicContact CD2-CG 4.04Å
801R95Very high93.1Very high126 Ų12675.3 Ų75.348%0.47534%0.34SS..EExtended strand (participates in β ladder)trans-137.2144178.2-58.7-170.471.9159.53.4110.2I791 Y792 D794I791-R801 CarbonylContact C-O 3.52Å; I791-R801 VanDerWaalsContact CA-O 3.32Å; I791-R801 WeakPolarHBondContact CA-O 3.16Å; Y792-R801 HydrophobicContact CD1-CB 4.23Å; Y792-R801 WeakPolarHBondContact CD1-O 3.33Å; Y792-R801 HydrophobicContact CE1-CB 3.58Å; Y792-R801 WeakPolarHBondContact CE1-O 3.5Å; Y792-R801 HydrophobicContact CE2-CB 4.24Å; Y792-R801 PolarHBondContact N-O 2.87Å; Y792-R801 PolarHBondContact O-N 2.78Å; D794-R801 HydrophobicContact CB-CG 4.23Å; D794-R801 IonicContact OD2-NH1 3.31Å
802K95.4Very high93Very high83 Ų8376.8 Ų76.836%0.36135%0.346SS..EExtended strand (participates in β ladder)trans-81.5141.1168.9-167179.3-177.7-175.20109.7H775 E776 S789 Y790 I791 E804H775-K802 WeakPolarHBondContact CD2-CE 3.43Å; H775-K802 PolarHBondContact CD2-NZ 2.86Å; H775-K802 PolarHBondContact NE2-NZ 2.58Å; E776-K802 IonicContact OE1-NZ 3.64Å; E776-K802 PolarHBondContact OE1-NZ 2.82Å; S789-K802 WeakPolarHBondContact OG-CE 3.5Å; S789-K802 PolarHBondContact OG-NZ 3.45Å; Y790-K802 CarbonylContact O-C 3.32Å; Y790-K802 WeakPolarHBondContact O-CA 3.35Å; I791-K802 HydrophobicContact CG2-CB 4.41Å; K802-E804 HydrophobicContact CD-CG 4.14Å; K802-E804 WeakPolarHBondContact CE-OE1 3.43Å; K802-E804 HydrophobicContact CG-CG 4.34Å; K802-E804 IonicContact NZ-OE1 3.04Å; K802-E804 PolarHBondContact NZ-OE1 2.67Å
803K93.5Very high92.9Very high109 Ų10977 Ų7747%0.47435%0.35SS..EExtended strand (participates in β ladder)trans-129.2118.3164.2-176.965.6-176.2168.70108.7Y790 Y792 F806Y790-K803 PolarHBondContact N-O 3.35Å; Y790-K803 PolarHBondContact O-N 2.9Å; Y792-K803 HydrophobicContact CD1-CB 3.98Å; Y792-K803 HydrophobicContact CE1-CB 3.77Å; K803-F806 HydrophobicContact CB-CB 4.41Å; K803-F806 HydrophobicContact CG-CB 3.83Å; K803-F806 HydrophobicContact CG-CD2 4.21Å; K803-F806 HydrophobicContact CG-CG 4.38Å
804E93.5Very high92.6Very high116 Ų11678.5 Ų78.554%0.54236%0.356SS..EExtended strand (participates in β ladder)trans-88.3148.9174-65.5177.2171.500109.9K802 F806K802-E804 HydrophobicContact CD-CG 4.14Å; K802-E804 WeakPolarHBondContact CE-OE1 3.43Å; K802-E804 HydrophobicContact CG-CG 4.34Å; K802-E804 IonicContact NZ-OE1 3.04Å; K802-E804 PolarHBondContact NZ-OE1 2.67Å; E804-F806 PolarHBondContact O-N 2.61Å
805E91Very high91.9Very high131 Ų13184.2 Ų84.261%0.61239%0.387SS*.EExtended strand (participates in β ladder)trans53.239-179.7-46.6-156.6133.800113.5K779 G788K779-E805 IonicContact NZ-OE1 2.76Å; K779-E805 PolarHBondContact NZ-OE1 2.83Å; G788-E805 WeakPolarHBondContact O-CA 3.32Å; G788-E805 PolarHBondContact O-N 3.35Å; G788-E805 VanDerWaalsContact O-N 3.07Å
806F93.6Very high91.1Very high26 Ų2687.5 Ų87.511%0.11440%0.402CS..EExtended strand (participates in β ladder)trans-81.2131.3174.5-179.1-103.5000110.6H765 F768 F772 S787 G788 Y790 K803 E804 F808H765-F806 AromaticContact CD2-CZ 3.84Å; H765-F806 AromaticContact NE2-CZ 3.85Å; F768-F806 HydrophobicContact CD2-CE2 4.45Å; F768-F806 HydrophobicContact CD2-CZ 4.16Å; F768-F806 AromaticContact CE2-CE2 3.82Å; F768-F806 HydrophobicContact CE2-CE2 3.82Å; F768-F806 AromaticContact CE2-CZ 3.77Å; F768-F806 HydrophobicContact CE2-CZ 3.77Å; F772-F806 HydrophobicContact CD1-CD1 4.11Å; F772-F806 AromaticContact CD1-CE1 3.8Å; F772-F806 HydrophobicContact CD1-CE1 3.8Å; F772-F806 HydrophobicContact CD1-CZ 4.25Å; F772-F806 AromaticContact CE1-CD1 3.9Å; F772-F806 HydrophobicContact CE1-CD1 3.9Å; F772-F806 HydrophobicContact CE1-CD2 4.28Å; F772-F806 AromaticContact CE1-CE1 3.47Å; F772-F806 HydrophobicContact CE1-CE1 3.47Å; F772-F806 VanDerWaalsContact CE1-CE1 3.47Å; F772-F806 AromaticContact CE1-CE2 3.9Å; F772-F806 HydrophobicContact CE1-CE2 3.9Å; F772-F806 HydrophobicContact CE1-CG 4.29Å; F772-F806 AromaticContact CE1-CZ 3.47Å; F772-F806 HydrophobicContact CE1-CZ 3.47Å; F772-F806 VanDerWaalsContact CE1-CZ 3.47Å; F772-F806 HydrophobicContact CE2-CZ 4.46Å; F772-F806 HydrophobicContact CZ-CE1 4.01Å; F772-F806 HydrophobicContact CZ-CE2 4.1Å; F772-F806 AromaticContact CZ-CZ 3.6Å; F772-F806 HydrophobicContact CZ-CZ 3.6Å; S787-F806 WeakPolarHBondContact CA-O 3.33Å; G788-F806 PolarHBondContact N-O 3.19Å; G788-F806 PolarHBondContact O-N 2.8Å; Y790-F806 HydrophobicContact CD2-CB 3.84Å; Y790-F806 AromaticContact CD2-CD1 3.92Å; Y790-F806 HydrophobicContact CD2-CD1 3.92Å; Y790-F806 HydrophobicContact CD2-CG 4.36Å; Y790-F806 HydrophobicContact CE2-CB 4.4Å; Y790-F806 HydrophobicContact CE2-CD1 4.21Å; Y790-F806 HydrophobicContact CG-CD1 4.27Å; K803-F806 HydrophobicContact CB-CB 4.41Å; K803-F806 HydrophobicContact CG-CB 3.83Å; K803-F806 HydrophobicContact CG-CD2 4.21Å; K803-F806 HydrophobicContact CG-CG 4.38Å; E804-F806 PolarHBondContact O-N 2.61Å; F806-F808 HydrophobicContact CD1-CB 4.13Å; F806-F808 HydrophobicContact CE1-CB 3.75Å; F806-F808 AromaticContact CE1-CD2 3.82Å; F806-F808 HydrophobicContact CE1-CD2 3.82Å; F806-F808 HydrophobicContact CE1-CG 4.09Å
807M93.7Very high90Very high80 Ų8088 Ų8839%0.39442%0.416SS..EExtended strand (participates in β ladder)trans-98105175-173.3177.5-69.400109.8Y785 E786Y785-M807 HydrophobicContact CD1-SD 4.42Å; Y785-M807 HydrophobicContact CD2-CE 4.12Å; Y785-M807 HydrophobicContact CD2-CG 3.6Å; Y785-M807 HydrophobicContact CD2-SD 3.94Å; Y785-M807 HydrophobicContact CE2-CE 3.78Å; Y785-M807 HydrophobicContact CE2-CG 4.26Å; Y785-M807 HydrophobicContact CE2-SD 4.13Å; Y785-M807 HydrophobicContact CG-CG 3.9Å; Y785-M807 HydrophobicContact CG-SD 4.09Å; E786-M807 CarbonylContact O-C 3.56Å; E786-M807 WeakPolarHBondContact O-CA 3.21Å
808F95Very high88.3Confident4 Ų490.6 Ų90.62%0.01842%0.422CS..EExtended strand (participates in β ladder)trans-89.3105.1174.8-162.1-56.2000108.5R763 H765 F772 Y785 E786 F806 L813R763-F808 HydrophobicContact CB-CE2 4.41Å; R763-F808 HydrophobicContact CB-CZ 4.45Å; H765-F808 HydrophobicContact CB-CE2 3.92Å; H765-F808 HydrophobicContact CB-CZ 3.82Å; H765-F808 AromaticContact CD2-CD2 3.76Å; H765-F808 AromaticContact CD2-CE1 3.85Å; H765-F808 AromaticContact CD2-CE2 3.59Å; H765-F808 AromaticContact CD2-CG 3.96Å; H765-F808 AromaticContact CD2-CZ 3.63Å; H765-F808 AromaticContact CG-CZ 3.96Å; F772-F808 HydrophobicContact CB-CD2 4.34Å; F772-F808 HydrophobicContact CB-CE2 4.03Å; F772-F808 HydrophobicContact CD2-CE2 4.16Å; F772-F808 HydrophobicContact CG-CD2 4.33Å; F772-F808 HydrophobicContact CG-CE2 4.13Å; Y785-F808 VanDerWaalsContact CA-O 3.27Å; Y785-F808 WeakPolarHBondContact CA-O 3.3Å; Y785-F808 WeakPolarHBondContact CB-O 3.42Å; E786-F808 HydrophobicContact CG-CB 3.95Å; E786-F808 PolarHBondContact N-O 3.25Å; E786-F808 PolarHBondContact O-N 3.11Å; F806-F808 HydrophobicContact CD1-CB 4.13Å; F806-F808 HydrophobicContact CE1-CB 3.75Å; F806-F808 AromaticContact CE1-CD2 3.82Å; F806-F808 HydrophobicContact CE1-CD2 3.82Å; F806-F808 HydrophobicContact CE1-CG 4.09Å; F808-L813 HydrophobicContact CE1-CB 3.95Å; F808-L813 HydrophobicContact CE1-CD1 4.01Å; F808-L813 HydrophobicContact CZ-CD1 3.89Å
809H95.5Very high88.3Confident63 Ų6392.6 Ų92.629%0.29243%0.431SS..EExtended strand (participates in β ladder)trans-77.4131.6171.6-65.6-86.9000110.9E784 S811 F812E784-H809 WeakPolarHBondContact O-CA 3.37Å; H809-S811 PolarHBondContact O-N 2.64Å; H809-F812 HydrophobicContact CB-CD2 3.95Å; H809-F812 HydrophobicContact CB-CE2 4.28Å; H809-F812 PolarHBondContact O-N 3.41Å
810Y95Very high88.2Confident72 Ų7288.1 Ų88.128%0.28242%0.418SS..G310 helixtrans-67.2-20179.3-61.9-44.9000113.1T782 E784 E786 F812 L813T782-Y810 VanDerWaalsContact O-CE2 3.31Å; T782-Y810 WeakPolarHBondContact O-CE2 3.32Å; E784-Y810 PolarHBondContact O-N 3.19Å; E786-Y810 HydrophobicContact CG-CE1 3.82Å; E786-Y810 VanDerWaalsContact OE2-CE1 3.22Å; E786-Y810 WeakPolarHBondContact OE2-CE1 2.95Å; E786-Y810 PolarHBondContact OE2-OH 3.04Å; Y810-F812 PolarHBondContact O-N 2.7Å; Y810-F812 VanDerWaalsContact O-N 3.1Å; Y810-L813 HydrophobicContact CD1-CD2 4.35Å; Y810-L813 WeakPolarHBondContact O-CB 3.35Å; Y810-L813 PolarHBondContact O-N 2.76Å
811S93.1Very high87.9Confident93 Ų9387.9 Ų87.965%0.6542%0.418SS*.G310 helixtrans-60.9-14168.660.20000114.5H809H809-S811 PolarHBondContact O-N 2.64Å
812F93.6Very high87.4Confident61 Ų6185.7 Ų85.727%0.26841%0.414SS..G310 helixtrans-113.110.4173-54.3-54.5000113.5H765 T766 K767 H809 Y810H765-F812 CarbonylContact C-O 3.12Å; H765-F812 WeakPolarHBondContact CA-O 3.25Å; H765-F812 WeakPolarHBondContact CE1-CB 3.14Å; H765-F812 AromaticContact CE1-CD2 3.6Å; H765-F812 AromaticContact CE1-CG 3.7Å; T766-F812 PolarHBondContact N-O 3.18Å; T766-F812 WeakPolarHBondContact OG1-CA 3.44Å; T766-F812 PolarHBondContact OG1-O 3.19Å; K767-F812 HydrophobicContact CB-CB 4.3Å; K767-F812 HydrophobicContact CB-CD1 3.71Å; K767-F812 HydrophobicContact CB-CD2 4.2Å; K767-F812 HydrophobicContact CB-CE1 4.06Å; K767-F812 HydrophobicContact CB-CG 3.8Å; K767-F812 HydrophobicContact CB-CZ 4.46Å; K767-F812 HydrophobicContact CD-CD2 4.2Å; K767-F812 HydrophobicContact CD-CE1 4.18Å; K767-F812 HydrophobicContact CD-CE2 3.81Å; K767-F812 HydrophobicContact CD-CZ 3.81Å; H809-F812 HydrophobicContact CB-CD2 3.95Å; H809-F812 HydrophobicContact CB-CE2 4.28Å; H809-F812 PolarHBondContact O-N 3.41Å; Y810-F812 PolarHBondContact O-N 2.7Å; Y810-F812 VanDerWaalsContact O-N 3.1Å
813L93.9Very high86.9Confident45 Ų4585.9 Ų85.924%0.23642%0.418CS..BIsolated β-bridgetrans-76135.7173.6-176.357.4000110.8R763 F808 Y810 D815R763-L813 HydrophobicContact CB-CD1 3.85Å; R763-L813 HydrophobicContact CG-CD1 4.29Å; F808-L813 HydrophobicContact CE1-CB 3.95Å; F808-L813 HydrophobicContact CE1-CD1 4.01Å; F808-L813 HydrophobicContact CZ-CD1 3.89Å; Y810-L813 HydrophobicContact CD1-CD2 4.35Å; Y810-L813 WeakPolarHBondContact O-CB 3.35Å; Y810-L813 PolarHBondContact O-N 2.76Å; L813-D815 PolarHBondContact O-N 3.14Å
814E90.6Very high86.5Confident31 Ų3184.3 Ų84.315%0.14541%0.414CS..  trans-81.494.7170.2-148.7-6413600110.8K758 F764 T766 K816K758-E814 PolarHBondContact NZ-O 3.47Å; K758-E814 IonicContact NZ-OE2 3.58Å; K758-E814 PolarHBondContact NZ-OE2 3.43Å; F764-E814 HydrophobicContact CB-CB 3.89Å; F764-E814 HydrophobicContact CD1-CB 4.02Å; F764-E814 HydrophobicContact CD1-CG 4.09Å; F764-E814 HydrophobicContact CG-CB 4.47Å; F764-E814 PolarHBondContact O-N 2.95Å; T766-E814 HydrophobicContact CG2-CB 4.06Å; T766-E814 HydrophobicContact CG2-CG 4.16Å; E814-K816 WeakPolarHBondContact OE1-CD 3.35Å; E814-K816 WeakPolarHBondContact OE1-CG 3.29Å; E814-K816 IonicContact OE1-NZ 2.57Å; E814-K816 PolarHBondContact OE1-NZ 3.42Å; E814-K816 PolarHBondContact OE2-N 3.16Å
815D78.7Confident86Confident133 Ų13382.1 Ų82.171%0.71141%0.405SS*.  trans-9622.7-167.9-154.942.2000114.2L813 D817L813-D815 PolarHBondContact O-N 3.14Å; D815-D817 PolarHBondContact O-N 3.43Å
816K72.4Confident85.6Confident130 Ų13078.3 Ų78.357%0.56539%0.389SS*.  trans-83111.9172.8-65.5-171.4-156.387.90110.9K758 E814 F818K758-K816 PolarHBondContact NZ-O 2.82Å; E814-K816 WeakPolarHBondContact OE1-CD 3.35Å; E814-K816 WeakPolarHBondContact OE1-CG 3.29Å; E814-K816 IonicContact OE1-NZ 2.57Å; E814-K816 PolarHBondContact OE1-NZ 3.42Å; E814-K816 PolarHBondContact OE2-N 3.16Å; K816-F818 HydrophobicContact CB-CD1 4.49Å; K816-F818 HydrophobicContact CB-CE1 4.01Å; K816-F818 HydrophobicContact CB-CZ 4.32Å
817D63.3Low84.9Confident161 Ų16182.7 Ų82.786%0.86141%0.412SS*.  trans-66.6146.4159.6-74.3-37.6000110.7D815D815-D817 PolarHBondContact O-N 3.43Å
818F54.5Low84.2Confident119 Ų11982.9 Ų82.952%0.52241%0.414SS..  trans-129.50-170.5-68.9-45.1000113.4Y751 A754 K755 K758 K816Y751-F818 HydrophobicContact CD2-CD1 4.38Å; Y751-F818 HydrophobicContact CD2-CG 4.48Å; Y751-F818 HydrophobicContact CE2-CB 3.86Å; Y751-F818 AromaticContact CE2-CD1 3.76Å; Y751-F818 HydrophobicContact CE2-CD1 3.76Å; Y751-F818 HydrophobicContact CE2-CD2 4.35Å; Y751-F818 HydrophobicContact CE2-CE1 4.33Å; Y751-F818 AromaticContact CE2-CG 3.78Å; Y751-F818 HydrophobicContact CE2-CG 3.78Å; A754-F818 HydrophobicContact CB-CE2 4.44Å; K755-F818 HydrophobicContact CD-CB 4.14Å; K755-F818 WeakPolarHBondContact CE-O 3.42Å; K755-F818 PolarHBondContact NZ-O 2.85Å; K758-F818 HydrophobicContact CD-CD2 4.47Å; K816-F818 HydrophobicContact CB-CD1 4.49Å; K816-F818 HydrophobicContact CB-CE1 4.01Å; K816-F818 HydrophobicContact CB-CZ 4.32Å

Retrieved 818 of 818 residues in 795 ms (Link to these results)

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