A0A096NQQ4_PAPAN Loading...

DALR anticodon binding domain containing 3

AlphaFold DB , UniProt , Accession A0A096NQQ4, Species PAPAN (Papio anubis, Olive baboon), Gene DALRD3, Length 543 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
1M27.2Very low74.8Confident241 Ų24172.5 Ų72.5100%1.18740%0.403SS*.  0116.50-68-174.1-176.800107.4T3M1-T3 PolarHBondContact O-N 3.4Å; M1-T3 VanDerWaalsContact O-N 3.1Å
2A34.1Very low76.5Confident106 Ų10669.8 Ų69.888%0.87639%0.387SS*.  trans-68.3108.6-178.800000109.3R4A2-R4 PolarHBondContact O-N 3.37Å
3T48.8Very low77.8Confident127 Ų12767.6 Ų67.678%0.77939%0.39SS*.  trans-58.3110.8166.628.10000107.9M1M1-T3 PolarHBondContact O-N 3.4Å; M1-T3 VanDerWaalsContact O-N 3.1Å
4R71Confident79Confident159 Ų15964.4 Ų64.460%0.638%0.375SS*.PPolyproline II helixtrans-54.3141.4175.9-156.9172.4176.9160.1-1.1108.8A2 P70 R97A2-R4 PolarHBondContact O-N 3.37Å; R4-P70 CarbonylContact C-O 3.49Å; R4-P70 HydrophobicContact CB-CB 3.78Å; R4-P70 HydrophobicContact CB-CG 4.28Å; R4-R97 PolarHBondContact O-NH2 3.41Å
5R87.2Confident80.1Confident48 Ų4860.1 Ų60.118%0.18135%0.35CS..PPolyproline II helixtrans-62.2146177.5-170.3-174.668.6-152.2-4.9109.9G71 A104 Y105 P108 P457R5-G71 WeakPolarHBondContact O-CA 3.43Å; R5-A104 WeakPolarHBondContact CD-O 3.35Å; R5-A104 PolarHBondContact NH1-O 3.49Å; R5-Y105 HydrophobicContact CG-CD1 4.16Å; R5-Y105 HydrophobicContact CG-CD2 4.37Å; R5-Y105 HydrophobicContact CG-CE1 3.46Å; R5-Y105 VanDerWaalsContact CG-CE1 3.46Å; R5-Y105 HydrophobicContact CG-CE2 3.73Å; R5-Y105 VanDerWaalsContact CG-OH 3.29Å; R5-Y105 WeakPolarHBondContact CG-OH 3.33Å; R5-P108 PolarHBondContact NH1-O 3.33Å; R5-P457 VanDerWaalsContact CZ-CG 3.44Å; R5-P457 VanDerWaalsContact NH1-CG 3.35Å
6L92.9Very high81Confident1 Ų157.8 Ų57.81%0.00534%0.336CS..PPolyproline II helixtrans-66.7140.8169.1-71.7178.7000109.6V72 A73 V94 R97 V98 Y105 L454L6-V72 WeakPolarHBondContact CD2-O 3.42Å; L6-A73 HydrophobicContact CD2-CB 4.47Å; L6-V94 HydrophobicContact CD1-CG1 4.12Å; L6-R97 HydrophobicContact CD1-CB 3.75Å; L6-R97 HydrophobicContact CG-CB 4.33Å; L6-V98 HydrophobicContact CD1-CG2 4.22Å; L6-Y105 WeakPolarHBondContact CB-OH 3.28Å; L6-Y105 PolarHBondContact N-OH 3.19Å; L6-Y105 VanDerWaalsContact N-OH 3.11Å; L6-Y105 WeakPolarHBondContact O-CE1 3.33Å; L6-L454 HydrophobicContact CB-CD1 3.93Å
7G91.3Very high81.8Confident1 Ų158.5 Ų58.51%0.0135%0.35CS..  trans-142.5148.9176.700000112.4E10 T11 G71G7-E10 VanDerWaalsContact CA-OE2 3.27Å; G7-E10 WeakPolarHBondContact CA-OE2 3.4Å; G7-T11 WeakPolarHBondContact O-CB 3.39Å; G7-T11 PolarHBondContact O-N 3.19Å; G7-T11 VanDerWaalsContact O-N 3.1Å; G7-T11 PolarHBondContact O-OG1 3.1Å; G7-G71 PolarHBondContact N-O 2.76Å
8V92.7Very high82.4Confident15 Ų1556.5 Ų56.59%0.09134%0.341CS..Hα-helixtrans-66.2-44.3176.4172.50000109.7T11 L12 K28 L454 P455V8-T11 PolarHBondContact O-N 3.46Å; V8-L12 HydrophobicContact CG1-CD1 3.84Å; V8-L12 HydrophobicContact CG1-CG 4.37Å; V8-L12 WeakPolarHBondContact O-CB 3.02Å; V8-L12 WeakPolarHBondContact O-CG 3.43Å; V8-L12 PolarHBondContact O-N 2.9Å; V8-K28 HydrophobicContact CB-CD 4.45Å; V8-K28 HydrophobicContact CG1-CD 3.61Å; V8-K28 HydrophobicContact CG2-CD 3.93Å; V8-L454 HydrophobicContact CG2-CD2 3.78Å; V8-L454 HydrophobicContact CG2-CG 3.98Å; V8-P455 HydrophobicContact CG2-CB 4.36Å
9G91.1Very high82.9Confident42 Ų4253.8 Ų53.843%0.43333%0.325SS..Hα-helixtrans-60.9-47.9178.600000112.6T11 L12 G13G9-T11 VanDerWaalsContact C-N 3.33Å; G9-T11 PolarHBondContact O-N 2.89Å; G9-L12 PolarHBondContact O-N 3.01Å; G9-G13 PolarHBondContact O-N 3.08Å
10E91.8Very high83.2Confident56 Ų5652.9 Ų52.926%0.26233%0.326SS..Hα-helixtrans-61.3-41.6176.8-71.582.5172.300112G7 G13 A14 G71G7-E10 VanDerWaalsContact CA-OE2 3.27Å; G7-E10 WeakPolarHBondContact CA-OE2 3.4Å; E10-G13 PolarHBondContact O-N 3.24Å; E10-A14 WeakPolarHBondContact O-CB 3.49Å; E10-A14 PolarHBondContact O-N 3.14Å; E10-G71 WeakPolarHBondContact CB-O 3.13Å
11T94.8Very high83.3Confident2 Ų256.5 Ų56.51%0.01235%0.351CS..Hα-helixtrans-65-48.1177.3-56.70000110.8G7 V8 G9 G13 A14 L15 F40 V72 A73G7-T11 WeakPolarHBondContact O-CB 3.39Å; G7-T11 PolarHBondContact O-N 3.19Å; G7-T11 VanDerWaalsContact O-N 3.1Å; G7-T11 PolarHBondContact O-OG1 3.1Å; V8-T11 PolarHBondContact O-N 3.46Å; G9-T11 VanDerWaalsContact C-N 3.33Å; G9-T11 PolarHBondContact O-N 2.89Å; T11-G13 VanDerWaalsContact C-N 3.32Å; T11-G13 PolarHBondContact O-N 3.3Å; T11-A14 PolarHBondContact O-N 2.9Å; T11-L15 HydrophobicContact CG2-CD1 4.01Å; T11-L15 HydrophobicContact CG2-CG 4.41Å; T11-L15 WeakPolarHBondContact O-CB 3.39Å; T11-L15 WeakPolarHBondContact O-CG 3.43Å; T11-L15 PolarHBondContact O-N 2.91Å; T11-F40 HydrophobicContact CG2-CE2 4.12Å; T11-F40 HydrophobicContact CG2-CZ 3.93Å; T11-V72 HydrophobicContact CG2-CG1 4.46Å; T11-A73 HydrophobicContact CG2-CB 4.11Å; T11-A73 PolarHBondContact OG1-N 3.33Å
12L94.9Very high86.1Confident40 Ų4047.8 Ų47.821%0.20932%0.323CS..Hα-helixtrans-62-39.1176.1-73.9171.6000112.2V8 G9 L15 N16 W26 F40V8-L12 HydrophobicContact CG1-CD1 3.84Å; V8-L12 HydrophobicContact CG1-CG 4.37Å; V8-L12 WeakPolarHBondContact O-CB 3.02Å; V8-L12 WeakPolarHBondContact O-CG 3.43Å; V8-L12 PolarHBondContact O-N 2.9Å; G9-L12 PolarHBondContact O-N 3.01Å; L12-L15 PolarHBondContact O-N 3.47Å; L12-N16 WeakPolarHBondContact O-CB 3.19Å; L12-N16 PolarHBondContact O-N 3.19Å; L12-N16 PolarHBondContact O-ND2 3.27Å; L12-W26 HydrophobicContact CD2-CB 3.74Å; L12-F40 HydrophobicContact CD2-CD1 3.67Å; L12-F40 HydrophobicContact CD2-CE1 3.74Å; L12-F40 HydrophobicContact CG-CD1 4.45Å; L12-F40 HydrophobicContact CG-CE1 4.03Å
13G93.8Very high88.8Confident41 Ų4146.4 Ų46.442%0.42331%0.307SS..Hα-helixtrans-61.2-49.9175.700000111.7G9 E10 T11 L15 N16 A17G9-G13 PolarHBondContact O-N 3.08Å; E10-G13 PolarHBondContact O-N 3.24Å; T11-G13 VanDerWaalsContact C-N 3.32Å; T11-G13 PolarHBondContact O-N 3.3Å; G13-L15 PolarHBondContact O-N 3.24Å; G13-N16 PolarHBondContact O-N 3.45Å; G13-A17 WeakPolarHBondContact O-CB 3.33Å; G13-A17 PolarHBondContact O-N 3.09Å
14A94.6Very high90.9Very high22 Ų2245.4 Ų45.418%0.18230%0.303CS..Hα-helixtrans-62-42177.300000112.3E10 T11 N16 A17 A18 L67 V72E10-A14 WeakPolarHBondContact O-CB 3.49Å; E10-A14 PolarHBondContact O-N 3.14Å; T11-A14 PolarHBondContact O-N 2.9Å; A14-N16 PolarHBondContact O-N 3.16Å; A14-A17 PolarHBondContact O-N 3.22Å; A14-A18 WeakPolarHBondContact O-CB 3.38Å; A14-A18 PolarHBondContact O-N 2.93Å; A14-L67 HydrophobicContact CB-CD2 4.38Å; A14-V72 HydrophobicContact CB-CG1 4.12Å; A14-V72 HydrophobicContact CB-CG2 3.56Å
15L95.3Very high92Very high0 Ų038.2 Ų38.20%028%0.276CS..Hα-helixtrans-62.2-41.1176.8-74.1173.4000112.8T11 L12 G13 W26 F40 L64 L67 L87T11-L15 HydrophobicContact CG2-CD1 4.01Å; T11-L15 HydrophobicContact CG2-CG 4.41Å; T11-L15 WeakPolarHBondContact O-CB 3.39Å; T11-L15 WeakPolarHBondContact O-CG 3.43Å; T11-L15 PolarHBondContact O-N 2.91Å; L12-L15 PolarHBondContact O-N 3.47Å; G13-L15 PolarHBondContact O-N 3.24Å; L15-W26 HydrophobicContact CB-CD2 4.23Å; L15-W26 HydrophobicContact CB-CG 3.9Å; L15-W26 HydrophobicContact CD1-CD2 4.26Å; L15-W26 HydrophobicContact CD1-CG 4.31Å; L15-W26 HydrophobicContact CD2-CZ2 4.38Å; L15-W26 PolarHBondContact O-NE1 3.38Å; L15-W26 VanDerWaalsContact O-NE1 3.15Å; L15-F40 HydrophobicContact CD1-CD1 4.3Å; L15-F40 HydrophobicContact CD1-CD2 4.45Å; L15-F40 HydrophobicContact CD1-CG 4.19Å; L15-L64 HydrophobicContact CD2-CD2 3.79Å; L15-L67 HydrophobicContact CD2-CD1 3.53Å; L15-L67 HydrophobicContact CG-CD1 4.25Å; L15-L87 HydrophobicContact CD1-CD1 4.35Å; L15-L87 HydrophobicContact CD2-CD1 3.31Å; L15-L87 HydrophobicContact CG-CD1 4.48Å
16N94.9Very high92.4Very high24 Ų2436.6 Ų36.613%0.12827%0.27CS..Hα-helixtrans-74.9-35.2178-75.9-64.2000112.5L12 G13 A14 L19 P24 V25 R50L12-N16 WeakPolarHBondContact O-CB 3.19Å; L12-N16 PolarHBondContact O-N 3.19Å; L12-N16 PolarHBondContact O-ND2 3.27Å; G13-N16 PolarHBondContact O-N 3.45Å; A14-N16 PolarHBondContact O-N 3.16Å; N16-L19 PolarHBondContact O-N 3.25Å; N16-P24 WeakPolarHBondContact OD1-CA 3.15Å; N16-V25 PolarHBondContact OD1-N 3.46Å; N16-R50 PolarHBondContact O-NH2 3.32Å; N16-R50 VanDerWaalsContact O-NH2 3.13Å
17A93.4Very high92.5Very high70 Ų7041.1 Ų41.158%0.57929%0.293SS*.Hα-helixtrans-65.9-38.4175.100000111.9G13 A14 L19 G20G13-A17 WeakPolarHBondContact O-CB 3.33Å; G13-A17 PolarHBondContact O-N 3.09Å; A14-A17 PolarHBondContact O-N 3.22Å; A17-L19 PolarHBondContact O-N 3.02Å; A17-G20 PolarHBondContact O-N 3.22Å
18A93Very high92.7Very high22 Ų2242.8 Ų42.818%0.18230%0.3CS..Hα-helixtrans-62.9-24.4175.300000113.3A14 G20 L64 L67A14-A18 WeakPolarHBondContact O-CB 3.38Å; A14-A18 PolarHBondContact O-N 2.93Å; A18-G20 VanDerWaalsContact C-N 3.26Å; A18-G20 PolarHBondContact O-N 2.83Å; A18-L64 HydrophobicContact CB-CD2 3.66Å; A18-L64 HydrophobicContact CB-CG 4.23Å; A18-L67 HydrophobicContact CB-CD1 4.16Å; A18-L67 HydrophobicContact CB-CD2 4.16Å; A18-L67 HydrophobicContact CB-CG 4.41Å
19L91.8Very high92.8Very high5 Ų543.1 Ų43.13%0.02630%0.301CS..THydrogen-bonded Turntrans-83.84.5173.3-68.7179.1000113.2N16 A17 V25 W26 R50 F51 V56 L64N16-L19 PolarHBondContact O-N 3.25Å; A17-L19 PolarHBondContact O-N 3.02Å; L19-V25 HydrophobicContact CD1-CG2 3.37Å; L19-W26 HydrophobicContact CD1-CZ2 4.48Å; L19-R50 VanDerWaalsContact CB-CZ 3.48Å; L19-R50 PolarHBondContact O-NH2 3.39Å; L19-F51 HydrophobicContact CB-CZ 4.41Å; L19-F51 HydrophobicContact CD2-CE2 4.4Å; L19-F51 HydrophobicContact CD2-CZ 4.11Å; L19-V56 HydrophobicContact CD2-CG1 3.95Å; L19-L64 HydrophobicContact CD2-CD1 3.83Å
20G89Confident92.7Very high35 Ų3545 Ų4536%0.36130%0.304SS..  trans81.7-162.2-179.100000114.2A17 A18 R50A17-G20 PolarHBondContact O-N 3.22Å; A18-G20 VanDerWaalsContact C-N 3.26Å; A18-G20 PolarHBondContact O-N 2.83Å; G20-R50 PolarHBondContact O-NH2 2.9Å
21P86Confident92.4Very high130 Ų13049 Ų4984%0.84432%0.316SS*.SBendtrans-66.5149174.928.6-33.6000111.1R50P21-R50 PolarHBondContact O-NH2 2.72Å
22G86.7Confident91.8Very high58 Ų5852.6 Ų52.660%0.59834%0.339SS*.SBendtrans142.4176176.700000113.5
23S88.9Confident91.3Very high77 Ų7757.7 Ų57.754%0.53836%0.355SS..  trans-67.4148.9176.356.30000111.5V25 R50S23-V25 PolarHBondContact O-N 2.98Å; S23-R50 PolarHBondContact O-NH1 3.23Å
24P93.4Very high91Very high106 Ų10657.9 Ų57.969%0.68835%0.345SS*.  trans-61.6130.7174.6-23.533.9000111.9N16N16-P24 WeakPolarHBondContact OD1-CA 3.15Å
25V94.3Very high90.8Very high7 Ų756.9 Ų56.94%0.04234%0.337CS..  trans-116-21.3-177.9-61.90000113.5N16 L19 S23 A42 P43 A46 L47N16-V25 PolarHBondContact OD1-N 3.46Å; L19-V25 HydrophobicContact CD1-CG2 3.37Å; S23-V25 PolarHBondContact O-N 2.98Å; V25-A42 HydrophobicContact CB-CB 4.27Å; V25-A42 HydrophobicContact CG2-CB 3.84Å; V25-A42 WeakPolarHBondContact O-CA 3.3Å; V25-P43 VanDerWaalsContact O-CD 3.31Å; V25-P43 WeakPolarHBondContact O-CD 3.48Å; V25-A46 HydrophobicContact CB-CB 4.03Å; V25-A46 HydrophobicContact CG1-CB 3.96Å; V25-L47 HydrophobicContact CG2-CD2 4.15Å
26W95.9Very high90.3Very high14 Ų1465.8 Ų65.85%0.05337%0.37CS..  trans-77.7135.1-176.4-69.3101.5000112.5L12 L15 L19 F40 A42 L64 L85 L87L12-W26 HydrophobicContact CD2-CB 3.74Å; L15-W26 HydrophobicContact CB-CD2 4.23Å; L15-W26 HydrophobicContact CB-CG 3.9Å; L15-W26 HydrophobicContact CD1-CD2 4.26Å; L15-W26 HydrophobicContact CD1-CG 4.31Å; L15-W26 HydrophobicContact CD2-CZ2 4.38Å; L15-W26 PolarHBondContact O-NE1 3.38Å; L15-W26 VanDerWaalsContact O-NE1 3.15Å; L19-W26 HydrophobicContact CD1-CZ2 4.48Å; W26-F40 HydrophobicContact CE3-CB 3.98Å; W26-F40 HydrophobicContact CZ3-CB 4.35Å; W26-A42 HydrophobicContact CD2-CB 3.86Å; W26-A42 HydrophobicContact CE3-CB 3.8Å; W26-A42 HydrophobicContact CG-CB 4.42Å; W26-A42 HydrophobicContact CH2-CB 4.37Å; W26-A42 HydrophobicContact CZ2-CB 4.41Å; W26-A42 HydrophobicContact CZ3-CB 4.06Å; W26-L64 HydrophobicContact CZ2-CD1 3.92Å; W26-L64 HydrophobicContact CZ2-CD2 3.97Å; W26-L85 HydrophobicContact CH2-CB 4.11Å; W26-L85 HydrophobicContact CH2-CD2 3.5Å; W26-L85 VanDerWaalsContact CH2-CD2 3.5Å; W26-L85 HydrophobicContact CH2-CG 3.65Å; W26-L85 HydrophobicContact CZ2-CD2 3.56Å; W26-L85 HydrophobicContact CZ2-CG 4.24Å; W26-L85 HydrophobicContact CZ3-CG 4.48Å; W26-L85 WeakPolarHBondContact CZ3-O 3.38Å; W26-L87 HydrophobicContact CH2-CB 4.07Å; W26-L87 HydrophobicContact CH2-CD1 4.19Å; W26-L87 HydrophobicContact CZ3-CB 3.8Å; W26-L87 HydrophobicContact CZ3-CD1 4.47Å
27I94.9Very high90Very high97 Ų9767.5 Ų67.550%0.49738%0.384SS..EExtended strand (participates in β ladder)trans-120.9129.5177-54.3175.5000108.1F40 L41 P43I27-F40 CarbonylContact O-C 3.4Å; I27-F40 VanDerWaalsContact O-CA 3.3Å; I27-F40 WeakPolarHBondContact O-CA 3.34Å; I27-L41 PolarHBondContact N-O 3.22Å; I27-L41 PolarHBondContact O-N 3.31Å; I27-P43 HydrophobicContact CD1-CG 3.64Å
28K95.7Very high90Very high35 Ų3565.9 Ų65.915%0.15236%0.363CS..EExtended strand (participates in β ladder)trans-70.1128.8169.5178.6176.3-178.1-62.60109.8V8 F40 F450 N451V8-K28 HydrophobicContact CB-CD 4.45Å; V8-K28 HydrophobicContact CG1-CD 3.61Å; V8-K28 HydrophobicContact CG2-CD 3.93Å; K28-F40 HydrophobicContact CB-CD1 3.97Å; K28-F40 HydrophobicContact CB-CE1 3.8Å; K28-F40 HydrophobicContact CG-CD1 4.46Å; K28-F40 HydrophobicContact CG-CE1 4.05Å; K28-F450 HydrophobicContact CD-CE1 4.16Å; K28-F450 HydrophobicContact CD-CZ 4.03Å; K28-F450 VanDerWaalsContact CE-CE1 3.44Å; K28-F450 VanDerWaalsContact CE-CZ 3.48Å; K28-F450 WeakPolarHBondContact CE-O 3.33Å; K28-F450 HydrophobicContact CG-CE1 3.75Å; K28-F450 HydrophobicContact CG-CZ 3.74Å; K28-F450 PolarHBondContact NZ-O 2.93Å; K28-N451 PolarHBondContact NZ-OD1 3.33Å
29E94.3Very high90.1Very high22 Ų2264.9 Ų64.910%0.10336%0.355CS..  trans-76.5140.2173.5-172.457.6-112.200110.6R31 H34 L35 R38 D39 F450E29-R31 WeakPolarHBondContact OE1-CB 3.47Å; E29-R31 PolarHBondContact OE1-N 3.04Å; E29-H34 HydrophobicContact CG-CB 3.39Å; E29-H34 IonicContact OE1-CG 3.91Å; E29-H34 IonicContact OE1-ND1 3.05Å; E29-H34 PolarHBondContact OE1-ND1 2.99Å; E29-H34 VanDerWaalsContact OE2-CB 3.27Å; E29-H34 WeakPolarHBondContact OE2-CB 3.45Å; E29-H34 IonicContact OE2-CE1 3.76Å; E29-H34 IonicContact OE2-CG 2.62Å; E29-H34 IonicContact OE2-ND1 3.74Å; E29-H34 PolarHBondContact OE2-ND1 3.35Å; E29-L35 HydrophobicContact CB-CD2 4.01Å; E29-L35 HydrophobicContact CG-CD2 4.02Å; E29-L35 HydrophobicContact CG-CG 4.3Å; E29-R38 IonicContact OE2-NE 2.85Å; E29-R38 IonicContact OE2-NH2 3.61Å; E29-D39 WeakPolarHBondContact CB-O 3.12Å; E29-D39 PolarHBondContact N-O 2.85Å; E29-F450 WeakPolarHBondContact O-CE1 3.45Å
30T89.1Confident90.4Very high82 Ų8264.7 Ų64.750%0.50335%0.354SS..  trans-127.5-12.9-179.157.20000112.5N451T30-N451 PolarHBondContact O-ND2 3.35Å
31R86.1Confident90.7Very high139 Ų13964.1 Ų64.153%0.52534%0.342SS..  trans-90.2125.8-176.9-60.2-179.4177173.1-0.1110.7E29 R33 H34 L35E29-R31 WeakPolarHBondContact OE1-CB 3.47Å; E29-R31 PolarHBondContact OE1-N 3.04Å; R31-R33 HydrophobicContact CB-CG 4.28Å; R31-R33 PolarHBondContact O-N 2.98Å; R31-R33 VanDerWaalsContact O-N 3.1Å; R31-H34 PolarHBondContact O-N 3.04Å; R31-L35 PolarHBondContact O-N 3.48Å; R31-L35 VanDerWaalsContact O-N 3.08Å
32T82.4Confident91.2Very high79 Ų7958 Ų5849%0.48530%0.302SS..Hα-helixtrans-44.6-45177.347.80000113.9H34 L35 L447T32-H34 VanDerWaalsContact C-N 3.25Å; T32-H34 PolarHBondContact O-N 3.23Å; T32-L35 PolarHBondContact O-N 3.05Å; T32-L447 HydrophobicContact CG2-CD1 3.61Å; T32-L447 HydrophobicContact CG2-CD2 3.68Å; T32-L447 HydrophobicContact CG2-CG 4.19Å
33R84.7Confident91.5Very high147 Ų14756.9 Ų56.956%0.55528%0.284SS*.Hα-helixtrans-61.1-30.6-179.961.2165.5-173.7-95.312.7114.2R31R31-R33 HydrophobicContact CB-CG 4.28Å; R31-R33 PolarHBondContact O-N 2.98Å; R31-R33 VanDerWaalsContact O-N 3.1Å
34H87.5Confident91.7Very high45 Ų4557 Ų5721%0.20828%0.276CS..Hα-helixtrans-91.9-31.8-177.9-63.3165.3000111.4E29 R31 T32 R36 S37 R38E29-H34 HydrophobicContact CG-CB 3.39Å; E29-H34 IonicContact OE1-CG 3.91Å; E29-H34 IonicContact OE1-ND1 3.05Å; E29-H34 PolarHBondContact OE1-ND1 2.99Å; E29-H34 VanDerWaalsContact OE2-CB 3.27Å; E29-H34 WeakPolarHBondContact OE2-CB 3.45Å; E29-H34 IonicContact OE2-CE1 3.76Å; E29-H34 IonicContact OE2-CG 2.62Å; E29-H34 IonicContact OE2-ND1 3.74Å; E29-H34 PolarHBondContact OE2-ND1 3.35Å; R31-H34 PolarHBondContact O-N 3.04Å; T32-H34 VanDerWaalsContact C-N 3.25Å; T32-H34 PolarHBondContact O-N 3.23Å; H34-R36 PolarHBondContact O-N 2.85Å; H34-R36 VanDerWaalsContact O-N 3.13Å; H34-S37 PolarHBondContact O-N 3.05Å; H34-S37 PolarHBondContact O-OG 3.01Å; H34-R38 PolarHBondContact O-N 3.22Å
35L89.2Confident91.5Very high0 Ų062.1 Ų62.10%028%0.282CS..Hα-helixtrans-54-31.4175.8-70.6177000112.1E29 R31 T32 S37 R38 R91 L447 F450E29-L35 HydrophobicContact CB-CD2 4.01Å; E29-L35 HydrophobicContact CG-CD2 4.02Å; E29-L35 HydrophobicContact CG-CG 4.3Å; R31-L35 PolarHBondContact O-N 3.48Å; R31-L35 VanDerWaalsContact O-N 3.08Å; T32-L35 PolarHBondContact O-N 3.05Å; L35-S37 PolarHBondContact O-N 3.31Å; L35-R38 WeakPolarHBondContact CA-O 3.43Å; L35-R91 PolarHBondContact O-NH2 3.09Å; L35-L447 HydrophobicContact CD1-CD1 3.68Å; L35-F450 HydrophobicContact CD2-CD1 3.8Å; L35-F450 HydrophobicContact CD2-CE1 3.91Å
36R85.3Confident91.4Very high188 Ų18863.3 Ų63.371%0.70929%0.292SS*.THydrogen-bonded Turntrans-52.1-27.9170.9-72180-179.6-166.3-0.3115H34 E443H34-R36 PolarHBondContact O-N 2.85Å; H34-R36 VanDerWaalsContact O-N 3.13Å; R36-E443 HydrophobicContact CG-CG 3.67Å; R36-E443 PolarHBondContact N-OE2 3.14Å
37S88.1Confident91.2Very high59 Ų5962.9 Ų62.941%0.41329%0.291SS..THydrogen-bonded Turntrans-117.6-24.9-171.462.70000114H34 L35 Q88H34-S37 PolarHBondContact O-N 3.05Å; H34-S37 PolarHBondContact O-OG 3.01Å; L35-S37 PolarHBondContact O-N 3.31Å; S37-Q88 WeakPolarHBondContact O-CG 3.35Å; S37-Q88 PolarHBondContact O-NE2 3.35Å
38R93.6Very high90.9Very high37 Ų3763 Ų6314%0.1429%0.289CS..  trans-164.6150.4-175.462-175.3178.6-113.1-6.2111.4E29 H34 L35 S86E29-R38 IonicContact OE2-NE 2.85Å; E29-R38 IonicContact OE2-NH2 3.61Å; H34-R38 PolarHBondContact O-N 3.22Å; L35-R38 WeakPolarHBondContact CA-O 3.43Å; R38-S86 WeakPolarHBondContact CD-OG 3.36Å
39D96Very high90.5Very high1 Ų165.5 Ų65.51%0.00532%0.317CS..SBendtrans-103-29.6176.5-55.6-53.3000111.6E29 L87 Q88 L89 R91 W446 F450E29-D39 WeakPolarHBondContact CB-O 3.12Å; E29-D39 PolarHBondContact N-O 2.85Å; D39-L87 PolarHBondContact N-O 3.2Å; D39-Q88 WeakPolarHBondContact OD2-CA 3.46Å; D39-L89 HydrophobicContact CB-CD1 4.32Å; D39-L89 HydrophobicContact CB-CG 4.09Å; D39-L89 PolarHBondContact OD2-N 3.21Å; D39-R91 IonicContact OD1-NE 3.7Å; D39-R91 IonicContact OD1-NH2 3.92Å; D39-R91 PolarHBondContact OD1-NH2 3.36Å; D39-W446 PolarHBondContact OD1-NE1 3.48Å; D39-F450 HydrophobicContact CB-CE1 4.21Å; D39-F450 HydrophobicContact CB-CZ 3.94Å
40F96.8Very high90.2Very high1 Ų166.2 Ų66.20%0.00432%0.318CS..EExtended strand (participates in β ladder)trans-134.1153.1172-58.1-97.5000111.4T11 L12 L15 W26 I27 K28 L87 L89 F450T11-F40 HydrophobicContact CG2-CE2 4.12Å; T11-F40 HydrophobicContact CG2-CZ 3.93Å; L12-F40 HydrophobicContact CD2-CD1 3.67Å; L12-F40 HydrophobicContact CD2-CE1 3.74Å; L12-F40 HydrophobicContact CG-CD1 4.45Å; L12-F40 HydrophobicContact CG-CE1 4.03Å; L15-F40 HydrophobicContact CD1-CD1 4.3Å; L15-F40 HydrophobicContact CD1-CD2 4.45Å; L15-F40 HydrophobicContact CD1-CG 4.19Å; W26-F40 HydrophobicContact CE3-CB 3.98Å; W26-F40 HydrophobicContact CZ3-CB 4.35Å; I27-F40 CarbonylContact O-C 3.4Å; I27-F40 VanDerWaalsContact O-CA 3.3Å; I27-F40 WeakPolarHBondContact O-CA 3.34Å; K28-F40 HydrophobicContact CB-CD1 3.97Å; K28-F40 HydrophobicContact CB-CE1 3.8Å; K28-F40 HydrophobicContact CG-CD1 4.46Å; K28-F40 HydrophobicContact CG-CE1 4.05Å; F40-L87 HydrophobicContact CB-CB 4.25Å; F40-L87 HydrophobicContact CD2-CD2 3.78Å; F40-L87 PolarHBondContact N-O 3.47Å; F40-L87 VanDerWaalsContact N-O 3.15Å; F40-L87 PolarHBondContact O-N 2.95Å; F40-L89 HydrophobicContact CE2-CD1 3.81Å; F40-L89 HydrophobicContact CE2-CD2 4.15Å; F40-L89 HydrophobicContact CE2-CG 4.09Å; F40-F450 HydrophobicContact CD2-CZ 4.42Å; F40-F450 HydrophobicContact CE1-CZ 4.41Å; F40-F450 HydrophobicContact CE2-CE2 4.03Å; F40-F450 AromaticContact CE2-CZ 3.77Å; F40-F450 HydrophobicContact CE2-CZ 3.77Å; F40-F450 HydrophobicContact CZ-CE2 4Å; F40-F450 AromaticContact CZ-CZ 3.76Å; F40-F450 HydrophobicContact CZ-CZ 3.76Å
41L96.3Very high90.2Very high23 Ų2363.8 Ų63.812%0.1230%0.301CS..EExtended strand (participates in β ladder)trans-136.2128.4177.7179.968.4000110I27 A83 L85I27-L41 PolarHBondContact N-O 3.22Å; I27-L41 PolarHBondContact O-N 3.31Å; L41-A83 HydrophobicContact CD1-CB 4.17Å; L41-L85 WeakPolarHBondContact CA-O 3.43Å
42A95.6Very high89.7Confident0 Ų065.3 Ų65.30%032%0.319CS..EExtended strand (participates in β ladder)trans-99108.1159.600000108.4V25 W26 L47 G84 L85V25-A42 HydrophobicContact CB-CB 4.27Å; V25-A42 HydrophobicContact CG2-CB 3.84Å; V25-A42 WeakPolarHBondContact O-CA 3.3Å; W26-A42 HydrophobicContact CD2-CB 3.86Å; W26-A42 HydrophobicContact CE3-CB 3.8Å; W26-A42 HydrophobicContact CG-CB 4.42Å; W26-A42 HydrophobicContact CH2-CB 4.37Å; W26-A42 HydrophobicContact CZ2-CB 4.41Å; W26-A42 HydrophobicContact CZ3-CB 4.06Å; A42-L47 HydrophobicContact CB-CD1 4.27Å; A42-L47 HydrophobicContact CB-CD2 3.94Å; A42-L47 HydrophobicContact CB-CG 4.18Å; A42-G84 CarbonylContact O-C 3.59Å; A42-G84 WeakPolarHBondContact O-CA 3.49Å; A42-L85 HydrophobicContact CB-CB 4.18Å; A42-L85 PolarHBondContact N-O 2.85Å; A42-L85 PolarHBondContact O-N 3.29Å
43P94.2Very high89.3Confident35 Ų3568.7 Ų68.723%0.22734%0.335CS..EExtended strand (participates in β ladder)trans-62.9145.6-174.4-2333.8000112.7V25 I27 R45 A46 L47 A83V25-P43 VanDerWaalsContact O-CD 3.31Å; V25-P43 WeakPolarHBondContact O-CD 3.48Å; I27-P43 HydrophobicContact CD1-CG 3.64Å; P43-R45 VanDerWaalsContact C-N 3.28Å; P43-R45 PolarHBondContact O-N 3.13Å; P43-A46 HydrophobicContact CB-CB 4.47Å; P43-A46 WeakPolarHBondContact O-CB 3.47Å; P43-A46 PolarHBondContact O-N 2.99Å; P43-L47 PolarHBondContact O-N 2.87Å; P43-L47 VanDerWaalsContact O-N 3.08Å; P43-A83 WeakPolarHBondContact CA-O 3.5Å
44H91.6Very high88.6Confident79 Ų7962.1 Ų62.137%0.36631%0.312SS..Hα-helixtrans-53.2-42.6-178.6-176.166.5000113.4A46 L47 Q48 A83H44-A46 VanDerWaalsContact C-N 3.31Å; H44-A46 PolarHBondContact O-N 3.17Å; H44-L47 WeakPolarHBondContact O-CB 3.41Å; H44-L47 PolarHBondContact O-N 2.99Å; H44-L47 VanDerWaalsContact O-N 3.14Å; H44-Q48 PolarHBondContact NE2-NE2 2.76Å; H44-Q48 WeakPolarHBondContact O-CG 3.35Å; H44-Q48 PolarHBondContact O-N 3.09Å; H44-A83 PolarHBondContact N-O 3.1Å
45R90.5Very high88.3Confident215 Ų21567.4 Ų67.481%0.81134%0.337SS*.Hα-helixtrans-61.9-36.3177.1-68.3-173.5-179.9-179.5-0.8113.4P43 L47 A49P43-R45 VanDerWaalsContact C-N 3.28Å; P43-R45 PolarHBondContact O-N 3.13Å; R45-L47 VanDerWaalsContact C-N 3.33Å; R45-A49 PolarHBondContact O-N 3.35Å
46A91.6Very high88.2Confident31 Ų3168.4 Ų68.426%0.25634%0.343SS..Hα-helixtrans-72.1-32.8177.600000111.1V25 P43 H44V25-A46 HydrophobicContact CB-CB 4.03Å; V25-A46 HydrophobicContact CG1-CB 3.96Å; P43-A46 HydrophobicContact CB-CB 4.47Å; P43-A46 WeakPolarHBondContact O-CB 3.47Å; P43-A46 PolarHBondContact O-N 2.99Å; H44-A46 VanDerWaalsContact C-N 3.31Å; H44-A46 PolarHBondContact O-N 3.17Å
47L91.6Very high88.5Confident5 Ų561.7 Ų61.73%0.02632%0.324CS..Hα-helixtrans-71.5-40.3174.2-63.6172.5000112V25 A42 P43 H44 R45 A49 R50 F51 V56 L85V25-L47 HydrophobicContact CG2-CD2 4.15Å; A42-L47 HydrophobicContact CB-CD1 4.27Å; A42-L47 HydrophobicContact CB-CD2 3.94Å; A42-L47 HydrophobicContact CB-CG 4.18Å; P43-L47 PolarHBondContact O-N 2.87Å; P43-L47 VanDerWaalsContact O-N 3.08Å; H44-L47 WeakPolarHBondContact O-CB 3.41Å; H44-L47 PolarHBondContact O-N 2.99Å; H44-L47 VanDerWaalsContact O-N 3.14Å; R45-L47 VanDerWaalsContact C-N 3.33Å; L47-A49 VanDerWaalsContact C-N 3.27Å; L47-A49 PolarHBondContact O-N 2.91Å; L47-R50 CarbonylContact O-C 3.58Å; L47-R50 PolarHBondContact O-N 3.23Å; L47-F51 HydrophobicContact CB-CD2 4.48Å; L47-F51 HydrophobicContact CD2-CD2 4.34Å; L47-F51 HydrophobicContact CD2-CE2 4.03Å; L47-F51 WeakPolarHBondContact O-CD2 3.19Å; L47-F51 PolarHBondContact O-N 3.47Å; L47-V56 HydrophobicContact CD1-CG2 4.06Å; L47-V56 HydrophobicContact CD2-CG2 3.83Å; L47-V56 HydrophobicContact CG-CG2 4.41Å; L47-L85 HydrophobicContact CD1-CB 3.84Å
48Q89.4Confident88.5Confident100 Ų10066.9 Ų66.947%0.46734%0.342SS..Hα-helixtrans-59.5-36.4173-75.1178-38.600112.9H44 R50 F51H44-Q48 PolarHBondContact NE2-NE2 2.76Å; H44-Q48 WeakPolarHBondContact O-CG 3.35Å; H44-Q48 PolarHBondContact O-N 3.09Å; Q48-R50 PolarHBondContact O-N 2.97Å; Q48-F51 VanDerWaalsContact O-O 3.13Å
49A87.4Confident88.4Confident88 Ų8871.4 Ų71.473%0.72736%0.364SS*.THydrogen-bonded Turntrans-70.5-13.6175.400000113.3R45 L47R45-A49 PolarHBondContact O-N 3.35Å; L47-A49 VanDerWaalsContact C-N 3.27Å; L47-A49 PolarHBondContact O-N 2.91Å
50R88.1Confident88.2Confident37 Ų3772.6 Ų72.614%0.1437%0.371CS..THydrogen-bonded Turntrans-111.9-29.7-173-171.9168179.5168.2-6.2113.5N16 L19 G20 P21 S23 L47 Q48N16-R50 PolarHBondContact O-NH2 3.32Å; N16-R50 VanDerWaalsContact O-NH2 3.13Å; L19-R50 VanDerWaalsContact CB-CZ 3.48Å; L19-R50 PolarHBondContact O-NH2 3.39Å; G20-R50 PolarHBondContact O-NH2 2.9Å; P21-R50 PolarHBondContact O-NH2 2.72Å; S23-R50 PolarHBondContact O-NH1 3.23Å; L47-R50 CarbonylContact O-C 3.58Å; L47-R50 PolarHBondContact O-N 3.23Å; Q48-R50 PolarHBondContact O-N 2.97Å
51F87.8Confident87.9Confident31 Ų3174.2 Ų74.214%0.13638%0.379CS..SBendtrans-125.2124.5179-57.2-75.1000107.6L19 L47 Q48 D53 G54 Q55 V56 L60L19-F51 HydrophobicContact CB-CZ 4.41Å; L19-F51 HydrophobicContact CD2-CE2 4.4Å; L19-F51 HydrophobicContact CD2-CZ 4.11Å; L47-F51 HydrophobicContact CB-CD2 4.48Å; L47-F51 HydrophobicContact CD2-CD2 4.34Å; L47-F51 HydrophobicContact CD2-CE2 4.03Å; L47-F51 WeakPolarHBondContact O-CD2 3.19Å; L47-F51 PolarHBondContact O-N 3.47Å; Q48-F51 VanDerWaalsContact O-O 3.13Å; F51-D53 PolarHBondContact O-N 3.05Å; F51-D53 VanDerWaalsContact O-N 3.17Å; F51-G54 WeakPolarHBondContact O-CA 3.4Å; F51-G54 PolarHBondContact O-N 3.37Å; F51-Q55 WeakPolarHBondContact CB-O 3.17Å; F51-V56 HydrophobicContact CD2-CG2 4.05Å; F51-V56 HydrophobicContact CE2-CG2 3.85Å; F51-L60 HydrophobicContact CE1-CD1 3.89Å; F51-L60 HydrophobicContact CZ-CD1 4.05Å
52D76Confident87.6Confident170 Ų17079.2 Ų79.291%0.90940%0.402SS*.THydrogen-bonded Turntrans-57-35.4-169.9-63.8-43.6000113.2
53D74.7Confident87.4Confident151 Ų15181.2 Ų81.281%0.80742%0.418SS*.THydrogen-bonded Turntrans-90.22.1176.7-62.8-43.1000113.6F51 Q55F51-D53 PolarHBondContact O-N 3.05Å; F51-D53 VanDerWaalsContact O-N 3.17Å; D53-Q55 PolarHBondContact O-N 3.12Å
54G70.1Confident87.3Confident8 Ų879.6 Ų79.68%0.08241%0.407CS..SBendtrans63.94.4-173.400000115.2F51F51-G54 WeakPolarHBondContact O-CA 3.4Å; F51-G54 PolarHBondContact O-N 3.37Å
55Q81.4Confident87.3Confident156 Ų15678 Ų7873%0.72941%0.408SS*.PPolyproline II helixtrans-99.8133.5177.1-61.8-159.3400110.6F51 D53 P57F51-Q55 WeakPolarHBondContact CB-O 3.17Å; D53-Q55 PolarHBondContact O-N 3.12Å; Q55-P57 WeakPolarHBondContact O-CD 3.5Å
56V86.9Confident87.3Confident21 Ų2171.1 Ų71.113%0.12739%0.392CS..PPolyproline II helixtrans-82.3121.8173.4-178.30000107.8L19 L47 F51 L60 L61 L85L19-V56 HydrophobicContact CD2-CG1 3.95Å; L47-V56 HydrophobicContact CD1-CG2 4.06Å; L47-V56 HydrophobicContact CD2-CG2 3.83Å; L47-V56 HydrophobicContact CG-CG2 4.41Å; F51-V56 HydrophobicContact CD2-CG2 4.05Å; F51-V56 HydrophobicContact CE2-CG2 3.85Å; V56-L60 HydrophobicContact CG1-CB 3.95Å; V56-L60 HydrophobicContact CG1-CD1 4.4Å; V56-L61 HydrophobicContact CB-CD2 4.1Å; V56-L61 HydrophobicContact CG1-CD2 3.86Å; V56-L61 HydrophobicContact CG1-CG 4.21Å; V56-L85 HydrophobicContact CG2-CD2 4.39Å
57P90Very high87.3Confident48 Ų4871 Ų7131%0.31239%0.387SS..PPolyproline II helixtrans-53.4141.7178.3-27.733.3000113.4Q55 H59 L60 L61Q55-P57 WeakPolarHBondContact O-CD 3.5Å; P57-H59 VanDerWaalsContact C-N 3.28Å; P57-H59 WeakPolarHBondContact CB-CE1 3.24Å; P57-H59 WeakPolarHBondContact CB-ND1 3.24Å; P57-H59 PolarHBondContact O-N 2.89Å; P57-L60 HydrophobicContact CB-CG 4.3Å; P57-L60 HydrophobicContact CG-CD1 4.22Å; P57-L60 WeakPolarHBondContact O-CB 3.29Å; P57-L60 PolarHBondContact O-N 2.9Å; P57-L61 PolarHBondContact O-N 2.85Å
58E89.4Confident87.1Confident168 Ų16879.3 Ų79.379%0.78543%0.426SS*.Hα-helixtrans-57.8-37.3-175.6-68.7-170.816000113.6L60 L61 H62E58-L60 PolarHBondContact O-N 2.99Å; E58-L61 WeakPolarHBondContact O-CB 3.36Å; E58-L61 PolarHBondContact O-N 3.38Å; E58-L61 VanDerWaalsContact O-N 3.1Å; E58-H62 PolarHBondContact O-N 3.4Å
59H90.3Very high86.9Confident131 Ų13175.9 Ų75.961%0.60642%0.417SS*.Hα-helixtrans-62.4-31.8177.467.7-89.6000112.4P57 A63P57-H59 VanDerWaalsContact C-N 3.28Å; P57-H59 WeakPolarHBondContact CB-CE1 3.24Å; P57-H59 WeakPolarHBondContact CB-ND1 3.24Å; P57-H59 PolarHBondContact O-N 2.89Å; H59-A63 WeakPolarHBondContact O-CB 3.34Å; H59-A63 PolarHBondContact O-N 2.84Å
60L91.5Very high86.8Confident27 Ų2775.5 Ų75.514%0.14141%0.407CS..Hα-helixtrans-74.4-35.8174.1-58.8-174.5000111.5F51 V56 P57 E58 H62 A63 L64F51-L60 HydrophobicContact CE1-CD1 3.89Å; F51-L60 HydrophobicContact CZ-CD1 4.05Å; V56-L60 HydrophobicContact CG1-CB 3.95Å; V56-L60 HydrophobicContact CG1-CD1 4.4Å; P57-L60 HydrophobicContact CB-CG 4.3Å; P57-L60 HydrophobicContact CG-CD1 4.22Å; P57-L60 WeakPolarHBondContact O-CB 3.29Å; P57-L60 PolarHBondContact O-N 2.9Å; E58-L60 PolarHBondContact O-N 2.99Å; L60-H62 VanDerWaalsContact C-N 3.3Å; L60-H62 PolarHBondContact O-N 3.25Å; L60-A63 PolarHBondContact O-N 2.85Å; L60-L64 WeakPolarHBondContact O-CB 3.37Å; L60-L64 VanDerWaalsContact O-CG 3.25Å; L60-L64 WeakPolarHBondContact O-CG 3.43Å; L60-L64 PolarHBondContact O-N 3.06Å
61L90.9Very high86.8Confident34 Ų3474 Ų7418%0.17840%0.403CS..Hα-helixtrans-61.1-41.9173-62.3179.1000111.3V56 P57 E58 L64 A65 L85V56-L61 HydrophobicContact CB-CD2 4.1Å; V56-L61 HydrophobicContact CG1-CD2 3.86Å; V56-L61 HydrophobicContact CG1-CG 4.21Å; P57-L61 PolarHBondContact O-N 2.85Å; E58-L61 WeakPolarHBondContact O-CB 3.36Å; E58-L61 PolarHBondContact O-N 3.38Å; E58-L61 VanDerWaalsContact O-N 3.1Å; L61-L64 PolarHBondContact O-N 2.85Å; L61-A65 PolarHBondContact O-N 3.12Å; L61-L85 HydrophobicContact CD2-CD1 3.42Å; L61-L85 VanDerWaalsContact CD2-CD1 3.42Å; L61-L85 HydrophobicContact CD2-CD2 3.88Å; L61-L85 HydrophobicContact CD2-CG 4.33Å
62H89.6Confident87.1Confident129 Ų12973.3 Ų73.360%0.59740%0.401SS*.Hα-helixtrans-64.4-44.8173.8-171.3-71.3000111.5E58 L60 L64 A65 C66E58-H62 PolarHBondContact O-N 3.4Å; L60-H62 VanDerWaalsContact C-N 3.3Å; L60-H62 PolarHBondContact O-N 3.25Å; H62-L64 VanDerWaalsContact C-N 3.3Å; H62-L64 PolarHBondContact O-N 3.48Å; H62-A65 PolarHBondContact O-N 2.85Å; H62-C66 PolarHBondContact CE1-SG 3.21Å; H62-C66 PolarHBondContact O-N 3.37Å; H62-C66 PolarHBondContact O-SG 2.9Å
63A92.1Very high87.9Confident42 Ų4265.3 Ų65.335%0.34736%0.358SS..Hα-helixtrans-58.3-42.3176.300000112.1H59 L60 C66 L67H59-A63 WeakPolarHBondContact O-CB 3.34Å; H59-A63 PolarHBondContact O-N 2.84Å; L60-A63 PolarHBondContact O-N 2.85Å; A63-C66 CarbonylContact O-C 3.51Å; A63-C66 PolarHBondContact O-N 2.73Å; A63-L67 PolarHBondContact O-N 2.72Å
64L92.9Very high88.9Confident0 Ų059.3 Ų59.30%033%0.328CS..Hα-helixtrans-64.3-41.2176.1-73.2165.6000112.8L15 A18 L19 W26 L60 L61 H62 C66 L67 C78 L85L15-L64 HydrophobicContact CD2-CD2 3.79Å; A18-L64 HydrophobicContact CB-CD2 3.66Å; A18-L64 HydrophobicContact CB-CG 4.23Å; L19-L64 HydrophobicContact CD2-CD1 3.83Å; W26-L64 HydrophobicContact CZ2-CD1 3.92Å; W26-L64 HydrophobicContact CZ2-CD2 3.97Å; L60-L64 WeakPolarHBondContact O-CB 3.37Å; L60-L64 VanDerWaalsContact O-CG 3.25Å; L60-L64 WeakPolarHBondContact O-CG 3.43Å; L60-L64 PolarHBondContact O-N 3.06Å; L61-L64 PolarHBondContact O-N 2.85Å; H62-L64 VanDerWaalsContact C-N 3.3Å; H62-L64 PolarHBondContact O-N 3.48Å; L64-C66 VanDerWaalsContact C-N 3.28Å; L64-C66 PolarHBondContact O-N 3.31Å; L64-L67 HydrophobicContact CD2-CD1 3.88Å; L64-L67 WeakPolarHBondContact O-CB 3.44Å; L64-L67 PolarHBondContact O-N 3.49Å; L64-C78 HydrophobicContact CB-CB 4.27Å; L64-L85 HydrophobicContact CD1-CD2 3.66Å
65A90.4Very high90.1Very high45 Ų4559.7 Ų59.737%0.37233%0.329SS..Hα-helixtrans-67.1-30.6177.100000112.3L61 H62L61-A65 PolarHBondContact O-N 3.12Å; H62-A65 PolarHBondContact O-N 2.85Å
66C90.3Very high90.7Very high71 Ų7157.7 Ų57.748%0.4832%0.322SS..THydrogen-bonded Turntrans-93.811.8178.5-63.30000114H62 A63 L64 Q68H62-C66 PolarHBondContact CE1-SG 3.21Å; H62-C66 PolarHBondContact O-N 3.37Å; H62-C66 PolarHBondContact O-SG 2.9Å; A63-C66 CarbonylContact O-C 3.51Å; A63-C66 PolarHBondContact O-N 2.73Å; L64-C66 VanDerWaalsContact C-N 3.28Å; L64-C66 PolarHBondContact O-N 3.31Å; C66-Q68 PolarHBondContact O-N 2.85Å
67L91.6Very high91.1Very high30 Ų3063.9 Ų63.916%0.15734%0.343CS..  trans-60.8125.2-179.5-88.7174000111.7A14 L15 A18 A63 L64 V75A14-L67 HydrophobicContact CB-CD2 4.38Å; L15-L67 HydrophobicContact CD2-CD1 3.53Å; L15-L67 HydrophobicContact CG-CD1 4.25Å; A18-L67 HydrophobicContact CB-CD1 4.16Å; A18-L67 HydrophobicContact CB-CD2 4.16Å; A18-L67 HydrophobicContact CB-CG 4.41Å; A63-L67 PolarHBondContact O-N 2.72Å; L64-L67 HydrophobicContact CD2-CD1 3.88Å; L64-L67 WeakPolarHBondContact O-CB 3.44Å; L64-L67 PolarHBondContact O-N 3.49Å; L67-V75 HydrophobicContact CB-CG2 4.16Å
68Q87.4Confident91.3Very high179 Ų17962.4 Ų62.484%0.83633%0.334SS*.  trans-136.3151.3176.7-65.8-173-3.300110.2C66C66-Q68 PolarHBondContact O-N 2.85Å
69G86.4Confident91.5Very high27 Ų2755.2 Ų55.228%0.27830%0.304SS..  trans172.6155.6175.300000111.5G71 V72G69-G71 PolarHBondContact O-N 3.19Å; G69-V72 PolarHBondContact O-N 3.32Å
70P84Confident91.6Very high81 Ų8153.7 Ų53.753%0.52631%0.305SS..THydrogen-bonded Turntrans-65.8-27.8-177.628.7-36.1000111.9R4 R97R4-P70 CarbonylContact C-O 3.49Å; R4-P70 HydrophobicContact CB-CB 3.78Å; R4-P70 HydrophobicContact CB-CG 4.28Å; P70-R97 PolarHBondContact O-NH2 2.82Å
71G89.6Confident91.6Very high5 Ų554.9 Ų54.95%0.05231%0.313CS..THydrogen-bonded Turntrans-96.8-617400000115.3R5 G7 E10 G69R5-G71 WeakPolarHBondContact O-CA 3.43Å; G7-G71 PolarHBondContact N-O 2.76Å; E10-G71 WeakPolarHBondContact CB-O 3.13Å; G69-G71 PolarHBondContact O-N 3.19Å
72V92.9Very high91.6Very high16 Ų1660 Ų6010%0.09735%0.349CS..SBendtrans-96.4129.4-168.5-177.10000109.9L6 T11 A14 G69 R97L6-V72 WeakPolarHBondContact CD2-O 3.42Å; T11-V72 HydrophobicContact CG2-CG1 4.46Å; A14-V72 HydrophobicContact CB-CG1 4.12Å; A14-V72 HydrophobicContact CB-CG2 3.56Å; G69-V72 PolarHBondContact O-N 3.32Å; V72-R97 PolarHBondContact O-NH1 2.67Å
73A94.3Very high91.6Very high2 Ų255.9 Ų55.92%0.01734%0.337CS..PPolyproline II helixtrans-66129.817500000110.2L6 T11 V75 L89 V94L6-A73 HydrophobicContact CD2-CB 4.47Å; T11-A73 HydrophobicContact CG2-CB 4.11Å; T11-A73 PolarHBondContact OG1-N 3.33Å; A73-V75 PolarHBondContact O-N 2.66Å; A73-L89 HydrophobicContact CB-CD1 3.72Å; A73-L89 HydrophobicContact CB-CD2 3.7Å; A73-L89 HydrophobicContact CB-CG 4.32Å; A73-V94 HydrophobicContact CB-CG2 4.19Å
74P94.5Very high91.6Very high26 Ų2654.1 Ų54.117%0.16932%0.323CS..PPolyproline II helixtrans-61.9129-177.523.7-33.9000111.1L89 Q90 A93 V94P74-L89 CarbonylContact O-C 3.55Å; P74-L89 WeakPolarHBondContact O-CA 3.44Å; P74-L89 WeakPolarHBondContact O-CD2 3.17Å; P74-Q90 HydrophobicContact CB-CB 4.19Å; P74-Q90 HydrophobicContact CG-CB 4.22Å; P74-Q90 PolarHBondContact O-N 2.78Å; P74-A93 HydrophobicContact CG-CB 3.74Å; P74-V94 HydrophobicContact CG-CG2 4.02Å
75V95.8Very high91.7Very high16 Ų1654.2 Ų54.210%0.09732%0.324CS..EExtended strand (participates in β ladder)trans-84129.8-179.4-178.90000109.3L67 A73 L87L67-V75 HydrophobicContact CB-CG2 4.16Å; A73-V75 PolarHBondContact O-N 2.66Å; V75-L87 HydrophobicContact CG1-CD1 3.96Å; V75-L87 HydrophobicContact CG1-CD2 4.3Å; V75-L87 HydrophobicContact CG1-CG 3.96Å; V75-L87 HydrophobicContact CG2-CD1 4.07Å; V75-L87 HydrophobicContact CG2-CD2 4.32Å
76L94.7Very high91.9Very high114 Ų11452.8 Ų52.860%0.59731%0.311SS*.EExtended strand (participates in β ladder)trans-88-46.3171.2175.464.7000110.7Q88 Q90L76-Q88 WeakPolarHBondContact CB-O 3.37Å; L76-Q88 PolarHBondContact N-O 3.22Å; L76-Q90 HydrophobicContact CB-CB 4.26Å
77R93.6Very high92.2Very high150 Ų15049.4 Ų49.457%0.56629%0.288SS*.EExtended strand (participates in β ladder)trans-155138.9-174.6-173.7177.7178.4-175.60.3110.7A79 L87 Q88R77-A79 HydrophobicContact CG-CB 4.47Å; R77-L87 CarbonylContact O-C 3.52Å; R77-L87 WeakPolarHBondContact O-CA 3.49Å; R77-Q88 HydrophobicContact CB-CB 4.42Å; R77-Q88 PolarHBondContact N-O 2.51Å; R77-Q88 VanDerWaalsContact N-O 3.12Å; R77-Q88 PolarHBondContact O-N 3Å
78C94.8Very high92.4Very high18 Ų1850.6 Ų50.612%0.12229%0.293CS..EExtended strand (participates in β ladder)trans-126125.3166.6-168.80000108.1L64 L85 S86 L87L64-C78 HydrophobicContact CB-CB 4.27Å; C78-L85 VanDerWaalsContact SG-CG 3.59Å; C78-S86 WeakPolarHBondContact CA-O 3.49Å; C78-L87 HydrophobicContact CB-CD1 4.33Å
79A92.9Very high92.8Very high17 Ų1742.2 Ų42.214%0.1425%0.254CS..EExtended strand (participates in β ladder)trans-146.6141.1-174.700000112.8R77 L85 S86R77-A79 HydrophobicContact CG-CB 4.47Å; A79-L85 VanDerWaalsContact C-CD1 3.48Å; A79-S86 PolarHBondContact N-O 3.25Å; A79-S86 PolarHBondContact O-N 3.02Å
80P92.3Very high93.3Very high98 Ų9845.3 Ų45.364%0.63626%0.261SS*.EExtended strand (participates in β ladder)trans-66.6140.6172.328.1-33.1000110.2
81T92.4Very high93.8Very high52 Ų5243.7 Ų43.732%0.31924%0.244SC..EExtended strand (participates in β ladder)trans-139.6165.6179.267.20000109.1A83 G84 S86T81-A83 PolarHBondContact O-N 3.24Å; T81-A83 PolarHBondContact OG1-N 3.43Å; T81-G84 CarbonylContact C-O 3.59Å; T81-G84 WeakPolarHBondContact CA-O 3.48Å; T81-G84 PolarHBondContact N-O 2.99Å; T81-G84 PolarHBondContact O-N 3.24Å; T81-G84 PolarHBondContact OG1-O 3.18Å; T81-S86 WeakPolarHBondContact CG2-OG 3.46Å; T81-S86 PolarHBondContact OG1-OG 3Å
82P90.1Very high94.1Very high142 Ų14245.9 Ų45.992%0.92226%0.258SS*.THydrogen-bonded Turntrans-57.4-24.3174.7-26.935.8000114.2G84P82-G84 VanDerWaalsContact C-N 3.33Å
83A89.8Confident94.3Very high43 Ų4346 Ų4636%0.35526%0.261SS..THydrogen-bonded Turntrans-81.9-9.1177.300000113.7L41 P43 H44 T81L41-A83 HydrophobicContact CD1-CB 4.17Å; P43-A83 WeakPolarHBondContact CA-O 3.5Å; H44-A83 PolarHBondContact N-O 3.1Å; T81-A83 PolarHBondContact O-N 3.24Å; T81-A83 PolarHBondContact OG1-N 3.43Å
84G92.9Very high94.4Very high5 Ų546 Ų465%0.05226%0.26CS..EExtended strand (participates in β ladder)trans119.6-150.5-168.500000111.4A42 T81 P82A42-G84 CarbonylContact O-C 3.59Å; A42-G84 WeakPolarHBondContact O-CA 3.49Å; T81-G84 CarbonylContact C-O 3.59Å; T81-G84 WeakPolarHBondContact CA-O 3.48Å; T81-G84 PolarHBondContact N-O 2.99Å; T81-G84 PolarHBondContact O-N 3.24Å; T81-G84 PolarHBondContact OG1-O 3.18Å; P82-G84 VanDerWaalsContact C-N 3.33Å
85L94.4Very high94.5Very high2 Ų244.8 Ų44.81%0.0125%0.252CS..EExtended strand (participates in β ladder)trans-92.3117.4-177.8-167.864.8000110.6W26 L41 A42 L47 V56 L61 L64 C78 A79W26-L85 HydrophobicContact CH2-CB 4.11Å; W26-L85 HydrophobicContact CH2-CD2 3.5Å; W26-L85 VanDerWaalsContact CH2-CD2 3.5Å; W26-L85 HydrophobicContact CH2-CG 3.65Å; W26-L85 HydrophobicContact CZ2-CD2 3.56Å; W26-L85 HydrophobicContact CZ2-CG 4.24Å; W26-L85 HydrophobicContact CZ3-CG 4.48Å; W26-L85 WeakPolarHBondContact CZ3-O 3.38Å; L41-L85 WeakPolarHBondContact CA-O 3.43Å; A42-L85 HydrophobicContact CB-CB 4.18Å; A42-L85 PolarHBondContact N-O 2.85Å; A42-L85 PolarHBondContact O-N 3.29Å; L47-L85 HydrophobicContact CD1-CB 3.84Å; V56-L85 HydrophobicContact CG2-CD2 4.39Å; L61-L85 HydrophobicContact CD2-CD1 3.42Å; L61-L85 VanDerWaalsContact CD2-CD1 3.42Å; L61-L85 HydrophobicContact CD2-CD2 3.88Å; L61-L85 HydrophobicContact CD2-CG 4.33Å; L64-L85 HydrophobicContact CD1-CD2 3.66Å; C78-L85 VanDerWaalsContact SG-CG 3.59Å; A79-L85 VanDerWaalsContact C-CD1 3.48Å
86S95.5Very high94.5Very high14 Ų1448.9 Ų48.910%0.09827%0.27CS..EExtended strand (participates in β ladder)trans-100.3137.8179.4-67.40000110.5R38 C78 A79 T81R38-S86 WeakPolarHBondContact CD-OG 3.36Å; C78-S86 WeakPolarHBondContact CA-O 3.49Å; A79-S86 PolarHBondContact N-O 3.25Å; A79-S86 PolarHBondContact O-N 3.02Å; T81-S86 WeakPolarHBondContact CG2-OG 3.46Å; T81-S86 PolarHBondContact OG1-OG 3Å
87L96.6Very high94.6Very high0 Ų047.1 Ų47.10%026%0.256CS..EExtended strand (participates in β ladder)trans-125.5134.6178.8-173.6147.6000111.3L15 W26 D39 F40 V75 R77 C78 L89L15-L87 HydrophobicContact CD1-CD1 4.35Å; L15-L87 HydrophobicContact CD2-CD1 3.31Å; L15-L87 HydrophobicContact CG-CD1 4.48Å; W26-L87 HydrophobicContact CH2-CB 4.07Å; W26-L87 HydrophobicContact CH2-CD1 4.19Å; W26-L87 HydrophobicContact CZ3-CB 3.8Å; W26-L87 HydrophobicContact CZ3-CD1 4.47Å; D39-L87 PolarHBondContact N-O 3.2Å; F40-L87 HydrophobicContact CB-CB 4.25Å; F40-L87 HydrophobicContact CD2-CD2 3.78Å; F40-L87 PolarHBondContact N-O 3.47Å; F40-L87 VanDerWaalsContact N-O 3.15Å; F40-L87 PolarHBondContact O-N 2.95Å; V75-L87 HydrophobicContact CG1-CD1 3.96Å; V75-L87 HydrophobicContact CG1-CD2 4.3Å; V75-L87 HydrophobicContact CG1-CG 3.96Å; V75-L87 HydrophobicContact CG2-CD1 4.07Å; V75-L87 HydrophobicContact CG2-CD2 4.32Å; R77-L87 CarbonylContact O-C 3.52Å; R77-L87 WeakPolarHBondContact O-CA 3.49Å; C78-L87 HydrophobicContact CB-CD1 4.33Å; L87-L89 HydrophobicContact CD2-CD2 3.73Å; L87-L89 HydrophobicContact CD2-CG 4.3Å
88Q95.8Very high94.7Very high56 Ų5640 Ų4026%0.26223%0.229SC..EExtended strand (participates in β ladder)trans-116.1137.1174.7-65.9178.9-52.100109.2S37 D39 L76 R77S37-Q88 WeakPolarHBondContact O-CG 3.35Å; S37-Q88 PolarHBondContact O-NE2 3.35Å; D39-Q88 WeakPolarHBondContact OD2-CA 3.46Å; L76-Q88 WeakPolarHBondContact CB-O 3.37Å; L76-Q88 PolarHBondContact N-O 3.22Å; R77-Q88 HydrophobicContact CB-CB 4.42Å; R77-Q88 PolarHBondContact N-O 2.51Å; R77-Q88 VanDerWaalsContact N-O 3.12Å; R77-Q88 PolarHBondContact O-N 3Å
89L96Very high94.8Very high3 Ų339.1 Ų39.12%0.01622%0.223CC..EExtended strand (participates in β ladder)trans-89.7154.8176.2-63.6179.7000111.2D39 F40 A73 P74 L87 R91 V94 W446 F450D39-L89 HydrophobicContact CB-CD1 4.32Å; D39-L89 HydrophobicContact CB-CG 4.09Å; D39-L89 PolarHBondContact OD2-N 3.21Å; F40-L89 HydrophobicContact CE2-CD1 3.81Å; F40-L89 HydrophobicContact CE2-CD2 4.15Å; F40-L89 HydrophobicContact CE2-CG 4.09Å; A73-L89 HydrophobicContact CB-CD1 3.72Å; A73-L89 HydrophobicContact CB-CD2 3.7Å; A73-L89 HydrophobicContact CB-CG 4.32Å; P74-L89 CarbonylContact O-C 3.55Å; P74-L89 WeakPolarHBondContact O-CA 3.44Å; P74-L89 WeakPolarHBondContact O-CD2 3.17Å; L87-L89 HydrophobicContact CD2-CD2 3.73Å; L87-L89 HydrophobicContact CD2-CG 4.3Å; L89-R91 PolarHBondContact O-N 3.3Å; L89-V94 HydrophobicContact CB-CG2 4.23Å; L89-V94 HydrophobicContact CD1-CG2 4.29Å; L89-W446 HydrophobicContact CB-CH2 4.41Å; L89-W446 HydrophobicContact CB-CZ2 4.36Å; L89-W446 HydrophobicContact CD1-CH2 4.14Å; L89-W446 HydrophobicContact CD1-CZ2 3.99Å; L89-F450 HydrophobicContact CD1-CD2 4.43Å; L89-F450 HydrophobicContact CD1-CE2 3.82Å
90Q95.7Very high94.9Very high91 Ų9141.5 Ų41.543%0.42524%0.238SC..  trans-75.181.4168.9-171.8178.7-7.700108.9P74 L76 A93 V94P74-Q90 HydrophobicContact CB-CB 4.19Å; P74-Q90 HydrophobicContact CG-CB 4.22Å; P74-Q90 PolarHBondContact O-N 2.78Å; L76-Q90 HydrophobicContact CB-CB 4.26Å; Q90-A93 HydrophobicContact CB-CB 4.34Å; Q90-A93 HydrophobicContact CG-CB 3.97Å; Q90-A93 PolarHBondContact O-N 3.32Å; Q90-A93 VanDerWaalsContact O-N 3.07Å; Q90-V94 PolarHBondContact O-N 3.41Å; Q90-V94 VanDerWaalsContact O-N 3.1Å
91R95.8Very high95Very high48 Ų4838.8 Ų38.818%0.18122%0.224CC..Hα-helixtrans-50.5-45.9-171.9-62.2-173.5176.6175.9-2.1114.4L35 D39 L89 A93 V94 F95 E443 W446L35-R91 PolarHBondContact O-NH2 3.09Å; D39-R91 IonicContact OD1-NE 3.7Å; D39-R91 IonicContact OD1-NH2 3.92Å; D39-R91 PolarHBondContact OD1-NH2 3.36Å; L89-R91 PolarHBondContact O-N 3.3Å; R91-A93 VanDerWaalsContact C-N 3.3Å; R91-A93 PolarHBondContact O-N 3.28Å; R91-V94 PolarHBondContact O-N 3.1Å; R91-V94 VanDerWaalsContact O-N 3.09Å; R91-F95 HydrophobicContact CB-CD2 4.29Å; R91-F95 HydrophobicContact CB-CE2 4.24Å; R91-F95 WeakPolarHBondContact O-CD2 3.36Å; R91-F95 PolarHBondContact O-N 3.46Å; R91-E443 IonicContact CZ-OE1 3.73Å; R91-E443 IonicContact NH1-OE1 2.71Å; R91-E443 PolarHBondContact NH1-OE1 3.21Å; R91-E443 IonicContact NH1-OE2 3.94Å; R91-E443 PolarHBondContact NH1-OE2 3.16Å; R91-E443 IonicContact NH2-OE1 3.51Å; R91-E443 IonicContact NH2-OE2 3.35Å; R91-W446 HydrophobicContact CB-CE3 4Å; R91-W446 HydrophobicContact CB-CH2 4.29Å; R91-W446 HydrophobicContact CB-CZ3 3.86Å; R91-W446 HydrophobicContact CG-CD2 3.9Å; R91-W446 HydrophobicContact CG-CE3 3.82Å; R91-W446 HydrophobicContact CG-CH2 3.87Å; R91-W446 HydrophobicContact CG-CZ2 3.94Å; R91-W446 HydrophobicContact CG-CZ3 3.81Å; R91-W446 VanDerWaalsContact NH2-CD1 3.3Å
92P96.4Very high95.1Very high51 Ų5137.2 Ų37.233%0.33122%0.215SC..Hα-helixtrans-57.3-42.6178.9-26.837.1000112.9V94 F95 E96P92-V94 PolarHBondContact O-N 2.93Å; P92-F95 PolarHBondContact O-N 3.18Å; P92-E96 WeakPolarHBondContact O-CB 3.26Å; P92-E96 PolarHBondContact O-N 3.4Å
93A95.3Very high95.2Very high19 Ų1933.9 Ų33.916%0.15720%0.199CC..Hα-helixtrans-68.7-34177.800000112.1P74 Q90 R91 R97P74-A93 HydrophobicContact CG-CB 3.74Å; Q90-A93 HydrophobicContact CB-CB 4.34Å; Q90-A93 HydrophobicContact CG-CB 3.97Å; Q90-A93 PolarHBondContact O-N 3.32Å; Q90-A93 VanDerWaalsContact O-N 3.07Å; R91-A93 VanDerWaalsContact C-N 3.3Å; R91-A93 PolarHBondContact O-N 3.28Å; A93-R97 WeakPolarHBondContact O-CB 3.33Å; A93-R97 VanDerWaalsContact O-CG 3.23Å; A93-R97 WeakPolarHBondContact O-CG 3.36Å; A93-R97 PolarHBondContact O-N 3.21Å; A93-R97 VanDerWaalsContact O-N 3.09Å
94V96.5Very high95.3Very high0 Ų033.6 Ų33.60%020%0.197CC..Hα-helixtrans-67.9-46.8173.1178.40000110.9L6 A73 P74 L89 Q90 R91 P92 E96 R97 V98 W446 L449L6-V94 HydrophobicContact CD1-CG1 4.12Å; A73-V94 HydrophobicContact CB-CG2 4.19Å; P74-V94 HydrophobicContact CG-CG2 4.02Å; L89-V94 HydrophobicContact CB-CG2 4.23Å; L89-V94 HydrophobicContact CD1-CG2 4.29Å; Q90-V94 PolarHBondContact O-N 3.41Å; Q90-V94 VanDerWaalsContact O-N 3.1Å; R91-V94 PolarHBondContact O-N 3.1Å; R91-V94 VanDerWaalsContact O-N 3.09Å; P92-V94 PolarHBondContact O-N 2.93Å; V94-E96 VanDerWaalsContact C-N 3.35Å; V94-E96 PolarHBondContact O-N 3.33Å; V94-R97 PolarHBondContact O-N 2.85Å; V94-V98 HydrophobicContact CG1-CG2 4.21Å; V94-V98 WeakPolarHBondContact O-CB 3.36Å; V94-V98 VanDerWaalsContact O-CG2 3.31Å; V94-V98 WeakPolarHBondContact O-CG2 3.27Å; V94-V98 PolarHBondContact O-N 3.39Å; V94-W446 HydrophobicContact CB-CH2 3.82Å; V94-W446 HydrophobicContact CB-CZ3 3.91Å; V94-W446 HydrophobicContact CG1-CH2 3.69Å; V94-W446 HydrophobicContact CG1-CZ3 3.84Å; V94-W446 HydrophobicContact CG2-CH2 4.12Å; V94-L449 HydrophobicContact CG1-CD2 3.89Å
95F97.6Very high95.4Very high2 Ų233.5 Ų33.51%0.00920%0.195CC..Hα-helixtrans-53.8-52.7174.5-83.3-65.5000110.7R91 P92 R97 V98 L99 F437 L440 E445 W446 L449 L520R91-F95 HydrophobicContact CB-CD2 4.29Å; R91-F95 HydrophobicContact CB-CE2 4.24Å; R91-F95 WeakPolarHBondContact O-CD2 3.36Å; R91-F95 PolarHBondContact O-N 3.46Å; P92-F95 PolarHBondContact O-N 3.18Å; F95-R97 PolarHBondContact O-N 3.47Å; F95-V98 PolarHBondContact O-N 3.04Å; F95-L99 HydrophobicContact CB-CD1 4.41Å; F95-L99 HydrophobicContact CD1-CD1 3.9Å; F95-L99 WeakPolarHBondContact O-CB 3.41Å; F95-L99 VanDerWaalsContact O-CG 3.26Å; F95-L99 WeakPolarHBondContact O-CG 3.39Å; F95-L99 PolarHBondContact O-N 2.75Å; F95-F437 HydrophobicContact CB-CB 3.83Å; F95-F437 HydrophobicContact CB-CD1 4.06Å; F95-F437 HydrophobicContact CB-CG 4.11Å; F95-L440 HydrophobicContact CB-CD1 4.32Å; F95-L440 HydrophobicContact CD1-CD1 3.44Å; F95-L440 VanDerWaalsContact CD1-CD1 3.44Å; F95-L440 HydrophobicContact CD2-CB 4.07Å; F95-L440 HydrophobicContact CD2-CD1 4.1Å; F95-L440 HydrophobicContact CE1-CB 4.46Å; F95-L440 HydrophobicContact CE1-CD1 3.67Å; F95-L440 HydrophobicContact CE2-CB 3.76Å; F95-L440 HydrophobicContact CE2-CD1 4.24Å; F95-L440 HydrophobicContact CG-CD1 3.72Å; F95-L440 HydrophobicContact CZ-CB 3.99Å; F95-L440 HydrophobicContact CZ-CD1 4.05Å; F95-E445 HydrophobicContact CZ-CB 4.13Å; F95-W446 HydrophobicContact CD2-CE3 4.3Å; F95-W446 HydrophobicContact CD2-CZ3 4.43Å; F95-W446 HydrophobicContact CE1-CE3 4.35Å; F95-W446 AromaticContact CE2-CE3 3.71Å; F95-W446 HydrophobicContact CE2-CE3 3.71Å; F95-W446 HydrophobicContact CE2-CZ3 4.28Å; F95-W446 HydrophobicContact CZ-CB 4.33Å; F95-W446 AromaticContact CZ-CE3 3.72Å; F95-W446 HydrophobicContact CZ-CE3 3.72Å; F95-L449 HydrophobicContact CB-CD1 4.39Å; F95-L449 HydrophobicContact CD1-CB 4.3Å; F95-L449 HydrophobicContact CD1-CD1 3.16Å; F95-L449 HydrophobicContact CD1-CG 4.31Å; F95-L449 HydrophobicContact CE1-CB 3.83Å; F95-L449 HydrophobicContact CE1-CD1 3.6Å; F95-L449 HydrophobicContact CE1-CG 4.33Å; F95-L449 HydrophobicContact CG-CD1 4.01Å; F95-L520 HydrophobicContact CE1-CD1 4.41Å
96E96.4Very high95.4Very high102 Ų10233.9 Ų33.948%0.47720%0.198SC..Hα-helixtrans-56.1-50.3-179.8-175.8-177.8-17800112.1P92 V94 V98 S100 F437P92-E96 WeakPolarHBondContact O-CB 3.26Å; P92-E96 PolarHBondContact O-N 3.4Å; V94-E96 VanDerWaalsContact C-N 3.35Å; V94-E96 PolarHBondContact O-N 3.33Å; E96-V98 PolarHBondContact O-N 3.43Å; E96-S100 WeakPolarHBondContact O-CB 3.48Å; E96-S100 PolarHBondContact O-N 3.26Å; E96-S100 PolarHBondContact O-OG 3Å; E96-F437 VanDerWaalsContact CA-CD2 3.42Å; E96-F437 HydrophobicContact CB-CB 4.47Å; E96-F437 HydrophobicContact CB-CD2 3.56Å; E96-F437 HydrophobicContact CB-CE2 4.11Å; E96-F437 HydrophobicContact CB-CG 4.24Å; E96-F437 HydrophobicContact CG-CD2 3.84Å; E96-F437 HydrophobicContact CG-CE2 4.07Å
97R95.1Very high95.2Very high77 Ų7736.6 Ų36.629%0.29121%0.214SC..Hα-helixtrans-66.1-37.7-177.6-72.2-177.165.1-174-4.6113.3R4 L6 P70 V72 A93 V94 F95R4-R97 PolarHBondContact O-NH2 3.41Å; L6-R97 HydrophobicContact CD1-CB 3.75Å; L6-R97 HydrophobicContact CG-CB 4.33Å; P70-R97 PolarHBondContact O-NH2 2.82Å; V72-R97 PolarHBondContact O-NH1 2.67Å; A93-R97 WeakPolarHBondContact O-CB 3.33Å; A93-R97 VanDerWaalsContact O-CG 3.23Å; A93-R97 WeakPolarHBondContact O-CG 3.36Å; A93-R97 PolarHBondContact O-N 3.21Å; A93-R97 VanDerWaalsContact O-N 3.09Å; V94-R97 PolarHBondContact O-N 2.85Å; F95-R97 PolarHBondContact O-N 3.47Å
98V96.4Very high94.9Very high0 Ų037.8 Ų37.80%022%0.222CC..Hα-helixtrans-76.2-49.7178.61750000110.6L6 V94 F95 E96 S100 A101 V102 Y105 L449 I453 L454L6-V98 HydrophobicContact CD1-CG2 4.22Å; V94-V98 HydrophobicContact CG1-CG2 4.21Å; V94-V98 WeakPolarHBondContact O-CB 3.36Å; V94-V98 VanDerWaalsContact O-CG2 3.31Å; V94-V98 WeakPolarHBondContact O-CG2 3.27Å; V94-V98 PolarHBondContact O-N 3.39Å; F95-V98 PolarHBondContact O-N 3.04Å; E96-V98 PolarHBondContact O-N 3.43Å; V98-S100 VanDerWaalsContact C-N 3.28Å; V98-S100 PolarHBondContact O-N 2.84Å; V98-A101 CarbonylContact O-C 3.58Å; V98-A101 PolarHBondContact O-N 3.34Å; V98-V102 PolarHBondContact O-N 2.96Å; V98-Y105 HydrophobicContact CB-CE2 4.02Å; V98-Y105 HydrophobicContact CG1-CD1 4.37Å; V98-Y105 HydrophobicContact CG1-CD2 3.88Å; V98-Y105 HydrophobicContact CG1-CE1 4.26Å; V98-Y105 HydrophobicContact CG1-CE2 3.76Å; V98-Y105 HydrophobicContact CG1-CG 4.2Å; V98-Y105 HydrophobicContact CG2-CE1 4.2Å; V98-Y105 HydrophobicContact CG2-CE2 4.21Å; V98-L449 HydrophobicContact CB-CD1 3.98Å; V98-L449 HydrophobicContact CB-CD2 4.48Å; V98-L449 HydrophobicContact CB-CG 4.41Å; V98-L449 HydrophobicContact CG1-CD1 4.06Å; V98-L449 HydrophobicContact CG1-CG 4.15Å; V98-L449 HydrophobicContact CG2-CD1 4.45Å; V98-L449 HydrophobicContact CG2-CD2 4.12Å; V98-I453 HydrophobicContact CG1-CG2 3.75Å; V98-L454 HydrophobicContact CG2-CD1 3.88Å
99L97Very high94.2Very high0 Ų036.3 Ų36.30%022%0.219CC..Hα-helixtrans-75-16.2-173.6-62.3-176.8000113.3F95 A101 V102 F437 L440 L449 I453 Q519 L520 A523F95-L99 HydrophobicContact CB-CD1 4.41Å; F95-L99 HydrophobicContact CD1-CD1 3.9Å; F95-L99 WeakPolarHBondContact O-CB 3.41Å; F95-L99 VanDerWaalsContact O-CG 3.26Å; F95-L99 WeakPolarHBondContact O-CG 3.39Å; F95-L99 PolarHBondContact O-N 2.75Å; L99-A101 VanDerWaalsContact C-N 3.32Å; L99-V102 WeakPolarHBondContact O-CG2 3.34Å; L99-F437 HydrophobicContact CB-CE1 3.72Å; L99-F437 HydrophobicContact CB-CZ 3.87Å; L99-F437 HydrophobicContact CD1-CD1 3.83Å; L99-F437 HydrophobicContact CD1-CE1 3.47Å; L99-F437 VanDerWaalsContact CD1-CE1 3.47Å; L99-F437 HydrophobicContact CD1-CZ 4.45Å; L99-F437 HydrophobicContact CG-CE1 4.21Å; L99-L440 HydrophobicContact CD1-CD1 4.19Å; L99-L449 HydrophobicContact CD1-CD1 4.48Å; L99-L449 HydrophobicContact CD2-CD1 4.26Å; L99-L449 HydrophobicContact CG-CD1 4.08Å; L99-I453 HydrophobicContact CD2-CD1 4.45Å; L99-Q519 HydrophobicContact CB-CG 4.05Å; L99-Q519 PolarHBondContact O-NE2 3.26Å; L99-L520 HydrophobicContact CD1-CB 4.12Å; L99-L520 HydrophobicContact CD1-CD1 4.36Å; L99-L520 HydrophobicContact CD2-CD1 4.11Å; L99-A523 HydrophobicContact CD2-CB 3.61Å
100S95.3Very high93.1Very high66 Ų6642 Ų4246%0.46225%0.249SC..THydrogen-bonded Turntrans-80.2-12.6168.2-58.20000113.6E96 V98E96-S100 WeakPolarHBondContact O-CB 3.48Å; E96-S100 PolarHBondContact O-N 3.26Å; E96-S100 PolarHBondContact O-OG 3Å; V98-S100 VanDerWaalsContact C-N 3.28Å; V98-S100 PolarHBondContact O-N 2.84Å
101A94.1Very high91.4Very high41 Ų4143.1 Ų43.134%0.33926%0.264SS..SBendtrans-131.135.1-174.200000112.7V98 L99 A103 A104 Y105V98-A101 CarbonylContact O-C 3.58Å; V98-A101 PolarHBondContact O-N 3.34Å; L99-A101 VanDerWaalsContact C-N 3.32Å; A101-A103 VanDerWaalsContact C-N 3.28Å; A101-A103 PolarHBondContact O-N 2.86Å; A101-A103 VanDerWaalsContact O-N 3.11Å; A101-A104 HydrophobicContact CB-CB 4.44Å; A101-A104 WeakPolarHBondContact O-CB 3.48Å; A101-A104 PolarHBondContact O-N 3.42Å; A101-Y105 HydrophobicContact CB-CE2 4.32Å; A101-Y105 WeakPolarHBondContact O-CD2 3.35Å
102V94.5Very high89.7Confident20 Ų2042.1 Ų42.112%0.12127%0.266CS..Hα-helixtrans-46.3-46.4-173.6176.80000113.5V98 L99 A104 Y105 A106 A523 E526V98-V102 PolarHBondContact O-N 2.96Å; L99-V102 WeakPolarHBondContact O-CG2 3.34Å; V102-A104 PolarHBondContact O-N 3.27Å; V102-Y105 PolarHBondContact O-N 3Å; V102-A106 PolarHBondContact O-N 2.99Å; V102-A523 HydrophobicContact CB-CB 4.37Å; V102-A523 HydrophobicContact CG1-CB 3.8Å; V102-A523 HydrophobicContact CG2-CB 3.68Å; V102-E526 HydrophobicContact CG1-CB 3.79Å; V102-E526 HydrophobicContact CG1-CG 4.04Å
103A92.8Very high87.9Confident71 Ų7146.6 Ų46.659%0.58729%0.286SS*.Hα-helixtrans-59-33.3-17900000112.9A101 Y105 A106A101-A103 VanDerWaalsContact C-N 3.28Å; A101-A103 PolarHBondContact O-N 2.86Å; A101-A103 VanDerWaalsContact O-N 3.11Å; A103-Y105 PolarHBondContact O-N 3.44Å; A103-A106 PolarHBondContact O-N 2.73Å; A103-A106 VanDerWaalsContact O-N 3.17Å
104A92.2Very high86.1Confident38 Ų3851.9 Ų51.931%0.31432%0.319SS..Hα-helixtrans-71.3-16.9177.400000113.2R5 A101 V102 T107R5-A104 WeakPolarHBondContact CD-O 3.35Å; R5-A104 PolarHBondContact NH1-O 3.49Å; A101-A104 HydrophobicContact CB-CB 4.44Å; A101-A104 WeakPolarHBondContact O-CB 3.48Å; A101-A104 PolarHBondContact O-N 3.42Å; V102-A104 PolarHBondContact O-N 3.27Å; A104-T107 PolarHBondContact O-OG1 2.62Å
105Y95Very high84.6Confident3 Ų353.4 Ų53.41%0.01234%0.335CS..Hα-helixtrans-92.9-11.2173.4-66.5-87.5000112.7R5 L6 V98 A101 V102 A103 T107 I453 L454 F456 P457R5-Y105 HydrophobicContact CG-CD1 4.16Å; R5-Y105 HydrophobicContact CG-CD2 4.37Å; R5-Y105 HydrophobicContact CG-CE1 3.46Å; R5-Y105 VanDerWaalsContact CG-CE1 3.46Å; R5-Y105 HydrophobicContact CG-CE2 3.73Å; R5-Y105 VanDerWaalsContact CG-OH 3.29Å; R5-Y105 WeakPolarHBondContact CG-OH 3.33Å; L6-Y105 WeakPolarHBondContact CB-OH 3.28Å; L6-Y105 PolarHBondContact N-OH 3.19Å; L6-Y105 VanDerWaalsContact N-OH 3.11Å; L6-Y105 WeakPolarHBondContact O-CE1 3.33Å; V98-Y105 HydrophobicContact CB-CE2 4.02Å; V98-Y105 HydrophobicContact CG1-CD1 4.37Å; V98-Y105 HydrophobicContact CG1-CD2 3.88Å; V98-Y105 HydrophobicContact CG1-CE1 4.26Å; V98-Y105 HydrophobicContact CG1-CE2 3.76Å; V98-Y105 HydrophobicContact CG1-CG 4.2Å; V98-Y105 HydrophobicContact CG2-CE1 4.2Å; V98-Y105 HydrophobicContact CG2-CE2 4.21Å; A101-Y105 HydrophobicContact CB-CE2 4.32Å; A101-Y105 WeakPolarHBondContact O-CD2 3.35Å; V102-Y105 PolarHBondContact O-N 3Å; A103-Y105 PolarHBondContact O-N 3.44Å; Y105-T107 VanDerWaalsContact C-N 3.33Å; Y105-I453 HydrophobicContact CG-CG2 4.24Å; Y105-L454 HydrophobicContact CE1-CD1 3.86Å; Y105-F456 VanDerWaalsContact O-CD1 3.28Å; Y105-F456 WeakPolarHBondContact O-CD1 3.42Å; Y105-P457 HydrophobicContact CD1-CG 4.08Å; Y105-P457 WeakPolarHBondContact O-CD 3.48Å; Y105-P457 WeakPolarHBondContact O-CG 3.44Å
106A93.8Very high83.7Confident9 Ų956.4 Ų56.47%0.07435%0.349CS..SBendtrans-94.18.6175.500000112.7V102 A103 E526 T530V102-A106 PolarHBondContact O-N 2.99Å; A103-A106 PolarHBondContact O-N 2.73Å; A103-A106 VanDerWaalsContact O-N 3.17Å; A106-E526 HydrophobicContact CB-CG 3.66Å; A106-T530 WeakPolarHBondContact O-CG2 3.45Å
107T91.6Very high83.3Confident71 Ų7154.2 Ų54.244%0.43634%0.336SS..SBendtrans-124.9156.4176.957.20000110.6A104 Y105 P457A104-T107 PolarHBondContact O-OG1 2.62Å; Y105-T107 VanDerWaalsContact C-N 3.33Å; T107-P457 WeakPolarHBondContact O-CB 3.44Å
108P89Confident83.1Confident25 Ų2550.5 Ų50.516%0.16232%0.322CS..  trans-48.5153.3174.6-37.143.5000116R5 A152 H153 L460R5-P108 PolarHBondContact NH1-O 3.33Å; P108-A152 WeakPolarHBondContact CG-O 3.27Å; P108-H153 WeakPolarHBondContact CB-NE2 3.44Å; P108-H153 WeakPolarHBondContact CG-CE1 3.26Å; P108-H153 VanDerWaalsContact CG-NE2 3.26Å; P108-H153 WeakPolarHBondContact CG-NE2 3.17Å; P108-L460 HydrophobicContact CG-CB 4.3Å
109A82.7Confident83Confident25 Ų2550.5 Ų50.521%0.20732%0.322CS..SBendtrans-74.9-39.7179.400000114.5P457 D458 S461A109-P457 HydrophobicContact CB-CB 3.97Å; A109-P457 PolarHBondContact N-O 2.7Å; A109-D458 VanDerWaalsContact CB-OD1 3.3Å; A109-D458 WeakPolarHBondContact CB-OD1 3.44Å; A109-S461 PolarHBondContact N-OG 3.17Å; A109-S461 VanDerWaalsContact N-OG 3.12Å
110L71.4Confident83Confident124 Ų12450.5 Ų50.565%0.64932%0.322SS*.SBendtrans-117.7132173.2-97.680000109.4
111P60.5Low83Confident113 Ų11347.4 Ų47.473%0.73430%0.3SS*.PPolyproline II helixtrans-64.1140.6160.527.3-29.6000108.9
112A59.3Low83.2Confident28 Ų2845.4 Ų45.423%0.23128%0.284CS..PPolyproline II helixtrans-58.4159.4174.500000110.9P114 H153 V155A112-P114 WeakPolarHBondContact O-CD 3.44Å; A112-H153 HydrophobicContact CB-CB 4.36Å; A112-H153 WeakPolarHBondContact CB-O 3.31Å; A112-H153 PolarHBondContact N-O 2.91Å; A112-V155 HydrophobicContact CB-CG2 3.81Å
113L58.6Low83.1Confident144 Ų14445.9 Ų45.975%0.75429%0.287SS*.PPolyproline II helixtrans-54.3124.2166.3-89.3128.6000108.4G115 Q116L113-G115 PolarHBondContact O-N 3.32Å; L113-Q116 PolarHBondContact O-N 2.88Å
114P57.9Low83.2Confident131 Ų13142.5 Ų42.585%0.85126%0.259SS*.THydrogen-bonded Turntrans-53.3128.5178.5-23.331.3000110.4A112A112-P114 WeakPolarHBondContact O-CD 3.44Å
115G64.8Low83.3Confident31 Ų3141.1 Ų41.132%0.3225%0.247SC..THydrogen-bonded Turntrans94.74.2172.800000116.8L113 R117L113-G115 PolarHBondContact O-N 3.32Å; G115-R117 PolarHBondContact O-N 2.71Å
116Q79.5Confident83Confident65 Ų6545.7 Ų45.730%0.30426%0.264SS..  trans-64.3125.2171.3-171.7172.44.400110.8L113 V118 V155 C156L113-Q116 PolarHBondContact O-N 2.88Å; Q116-V118 HydrophobicContact CG-CG2 4.41Å; Q116-V155 HydrophobicContact CB-CG1 4.43Å; Q116-V155 HydrophobicContact CG-CG1 4.33Å; Q116-V155 WeakPolarHBondContact O-CG1 3.06Å; Q116-C156 PolarHBondContact O-N 3.49Å
117R87.9Confident82.5Confident56 Ų5647.1 Ų47.121%0.21127%0.273CS..EExtended strand (participates in β ladder)trans-109.5127.8179-69.7-177.2-158.7-177.58.6109.9G115 C156 W258 L266 C277 L278G115-R117 PolarHBondContact O-N 2.71Å; R117-C156 HydrophobicContact CG-CB 4.45Å; R117-W258 HydrophobicContact CB-CH2 3.56Å; R117-W258 HydrophobicContact CB-CZ2 3.56Å; R117-W258 HydrophobicContact CB-CZ3 4.2Å; R117-W258 HydrophobicContact CG-CD2 4.35Å; R117-W258 HydrophobicContact CG-CE3 4.23Å; R117-W258 HydrophobicContact CG-CH2 3.9Å; R117-W258 HydrophobicContact CG-CZ2 4Å; R117-W258 HydrophobicContact CG-CZ3 4.03Å; R117-L266 VanDerWaalsContact NH2-CD2 3.3Å; R117-C277 HydrophobicContact CB-CB 4.24Å; R117-L278 PolarHBondContact O-N 3.14Å
118V91.3Very high82.3Confident0 Ų046.6 Ų46.60%027%0.273CS..EExtended strand (participates in β ladder)trans-126.2125.6176.2-179.20000109.8Q116 L120 L150 V155 C156 V157 R158 L278 V280Q116-V118 HydrophobicContact CG-CG2 4.41Å; V118-L120 HydrophobicContact CG1-CD2 4.03Å; V118-L120 HydrophobicContact CG1-CG 4.19Å; V118-L150 HydrophobicContact CB-CD1 4.27Å; V118-L150 HydrophobicContact CG1-CD1 3.96Å; V118-L150 HydrophobicContact CG2-CD1 4.43Å; V118-V155 HydrophobicContact CB-CG1 4.11Å; V118-V155 HydrophobicContact CG2-CG1 3.57Å; V118-C156 PolarHBondContact N-O 2.95Å; V118-V157 VanDerWaalsContact O-CA 3.31Å; V118-V157 WeakPolarHBondContact O-CA 3.09Å; V118-R158 PolarHBondContact O-N 3.17Å; V118-L278 CarbonylContact C-O 3.55Å; V118-L278 WeakPolarHBondContact CA-O 3.35Å; V118-L278 HydrophobicContact CG1-CD2 4.5Å; V118-L278 HydrophobicContact CG2-CB 4.37Å; V118-L278 HydrophobicContact CG2-CD2 4.29Å; V118-V280 HydrophobicContact CG1-CG2 4.3Å
119L94Very high82.1Confident0 Ų046 Ų460%027%0.269CS..EExtended strand (participates in β ladder)trans-100.9116.8169.5-169.5156.6000108.4H121 R158 V160 L251 A254 L278 V279 V280L119-H121 HydrophobicContact CD2-CB 4.25Å; L119-R158 CarbonylContact C-O 3.58Å; L119-R158 WeakPolarHBondContact CA-O 3.1Å; L119-V160 HydrophobicContact CD1-CG2 4.12Å; L119-V160 HydrophobicContact CD2-CB 4.14Å; L119-V160 HydrophobicContact CD2-CG2 3.8Å; L119-V160 HydrophobicContact CG-CG2 3.91Å; L119-L251 HydrophobicContact CD2-CD2 3.74Å; L119-A254 HydrophobicContact CD1-CB 3.67Å; L119-L278 PolarHBondContact N-O 3.45Å; L119-V279 HydrophobicContact CB-CG2 4.29Å; L119-V279 HydrophobicContact CD2-CG1 4.09Å; L119-V280 PolarHBondContact O-N 3.11Å
120L96.2Very high82.4Confident0 Ų049.4 Ų49.40%029%0.29CS..EExtended strand (participates in β ladder)trans-96.8112.5174.6-64.7173.9000109.4V118 L146 A147 L150 V157 R158 L159 V160 V280 V282V118-L120 HydrophobicContact CG1-CD2 4.03Å; V118-L120 HydrophobicContact CG1-CG 4.19Å; L120-L146 HydrophobicContact CD1-CG 4.43Å; L120-L146 HydrophobicContact CD2-CD2 3.81Å; L120-L146 HydrophobicContact CD2-CG 4.36Å; L120-A147 HydrophobicContact CD1-CB 3.64Å; L120-L150 HydrophobicContact CD1-CD1 4.35Å; L120-V157 HydrophobicContact CD1-CG1 3.64Å; L120-V157 HydrophobicContact CG-CG1 4.03Å; L120-R158 PolarHBondContact N-O 3.02Å; L120-L159 HydrophobicContact CB-CD2 3.83Å; L120-L159 HydrophobicContact CD1-CD2 3.86Å; L120-L159 HydrophobicContact CG-CD2 4.4Å; L120-V160 PolarHBondContact O-N 3.28Å; L120-V280 WeakPolarHBondContact CA-O 3.19Å; L120-V280 HydrophobicContact CD2-CB 3.95Å; L120-V280 HydrophobicContact CD2-CG1 4.29Å; L120-V282 HydrophobicContact CD2-CG2 4.33Å
121H96.6Very high83.3Confident0 Ų046 Ų460%028%0.28CS..EExtended strand (participates in β ladder)trans-97.2122.3175.9177.4-123.5000110.6L119 V160 L251 V280 H281 V282 Q291L119-H121 HydrophobicContact CD2-CB 4.25Å; H121-V160 CarbonylContact C-O 3.54Å; H121-V160 VanDerWaalsContact CA-O 3.31Å; H121-V160 WeakPolarHBondContact CA-O 3.33Å; H121-L251 HydrophobicContact CB-CD2 4.01Å; H121-V280 PolarHBondContact N-O 3.45Å; H121-H281 VanDerWaalsContact CB-ND1 3.35Å; H121-H281 WeakPolarHBondContact CB-ND1 3.34Å; H121-H281 AromaticContact CG-ND1 3.48Å; H121-H281 AromaticContact ND1-CE1 3.99Å; H121-H281 AromaticContact ND1-CG 3.98Å; H121-H281 AromaticContact ND1-ND1 3.07Å; H121-H281 PolarHBondContact ND1-ND1 2.86Å; H121-H281 CarbonylContact O-C 3.48Å; H121-H281 WeakPolarHBondContact O-CA 3.31Å; H121-V282 PolarHBondContact O-N 3.49Å; H121-Q291 PolarHBondContact CE1-OE1 3.22Å; H121-Q291 PolarHBondContact ND1-OE1 2.86Å; H121-Q291 VanDerWaalsContact ND1-OE1 3.09Å
122C97.2Very high84.9Confident0 Ų040.7 Ų40.70%025%0.245CC..  trans-124.589.1176.7-170.90000110.3A124 L125 A143 V160 P161 W179C122-A124 PolarHBondContact O-N 2.79Å; C122-A124 VanDerWaalsContact O-N 3.16Å; C122-L125 HydrophobicContact CB-CD1 4.35Å; C122-L125 PolarHBondContact O-N 3.4Å; C122-A143 HydrophobicContact CB-CB 4.29Å; C122-V160 PolarHBondContact N-O 3.18Å; C122-P161 WeakPolarHBondContact O-CD 3.33Å; C122-W179 HydrophobicContact CB-CH2 3.63Å; C122-W179 HydrophobicContact CB-CZ2 3.89Å
123P93.8Very high86.5Confident29 Ų2943.6 Ų43.619%0.18825%0.25CS..G310 helixtrans-64.3-21.9-174.124.4-32.8000113.6L125 R126 V283P123-L125 PolarHBondContact O-N 3.4Å; P123-R126 PolarHBondContact O-N 2.88Å; P123-V283 HydrophobicContact CG-CG1 3.56Å
124A94.3Very high88.3Confident0 Ų037.3 Ų37.30%022%0.217CC..G310 helixtrans-50.5-30.6175.200000113.6C122 R126 S127 L132 Q136 V140C122-A124 PolarHBondContact O-N 2.79Å; C122-A124 VanDerWaalsContact O-N 3.16Å; A124-R126 PolarHBondContact O-N 2.88Å; A124-S127 PolarHBondContact O-N 3.48Å; A124-L132 HydrophobicContact CB-CD1 4.19Å; A124-L132 WeakPolarHBondContact O-CD1 3.47Å; A124-Q136 HydrophobicContact CB-CB 3.77Å; A124-Q136 HydrophobicContact CB-CG 4.06Å; A124-V140 HydrophobicContact CB-CG2 4.04Å
125L94.4Very high90Very high10 Ų1031.5 Ų31.55%0.05218%0.18CC..G310 helixtrans-77.6-2.1-177.1-66.4176.3000114.9C122 P123 S127 V140 P161 V163 M168 L172 W179C122-L125 HydrophobicContact CB-CD1 4.35Å; C122-L125 PolarHBondContact O-N 3.4Å; P123-L125 PolarHBondContact O-N 3.4Å; L125-S127 VanDerWaalsContact C-N 3.35Å; L125-V140 HydrophobicContact CD2-CB 4.5Å; L125-V140 HydrophobicContact CD2-CG1 4.06Å; L125-V140 HydrophobicContact CD2-CG2 3.55Å; L125-V140 HydrophobicContact CG-CG2 3.86Å; L125-P161 HydrophobicContact CB-CG 4.08Å; L125-V163 HydrophobicContact CB-CG2 4.32Å; L125-V163 HydrophobicContact CD1-CG2 4.37Å; L125-M168 HydrophobicContact CD2-CG 4.4Å; L125-M168 HydrophobicContact CD2-SD 4.15Å; L125-L172 HydrophobicContact CD2-CD1 3.94Å; L125-L172 HydrophobicContact CD2-CD2 4Å; L125-L172 HydrophobicContact CD2-CG 4.47Å; L125-W179 HydrophobicContact CD1-CD2 3.44Å; L125-W179 VanDerWaalsContact CD1-CD2 3.44Å; L125-W179 HydrophobicContact CD1-CE3 4.06Å; L125-W179 HydrophobicContact CD1-CG 3.87Å; L125-W179 HydrophobicContact CD1-CH2 3.99Å; L125-W179 HydrophobicContact CD1-CZ2 3.36Å; L125-W179 HydrophobicContact CD1-CZ3 4.3Å
126R87.8Confident91.5Very high98 Ų9830.5 Ų30.537%0.3717%0.167SC..G310 helixtrans-81.3-16.2169-65.2-164.8179-88-8.3113.5P123 A124 P161 E250P123-R126 PolarHBondContact O-N 2.88Å; A124-R126 PolarHBondContact O-N 2.88Å; R126-P161 HydrophobicContact CG-CG 3.95Å; R126-E250 IonicContact CZ-OE1 2.72Å; R126-E250 IonicContact CZ-OE2 3.21Å; R126-E250 IonicContact NH1-OE1 3.66Å; R126-E250 PolarHBondContact NH1-OE1 3.28Å; R126-E250 IonicContact NH1-OE2 2.71Å; R126-E250 IonicContact NH2-OE1 3.88Å; R126-E250 PolarHBondContact NH2-OE1 3.12Å; R126-E250 IonicContact NH2-OE2 3.27Å; R126-E250 PolarHBondContact NH2-OE2 3.33Å
127S84.1Confident92.4Very high39 Ų3927.5 Ų27.527%0.27315%0.153SC..SBendtrans-76.8156.4178.2-59.10000110.7A124 L125 M168A124-S127 PolarHBondContact O-N 3.48Å; L125-S127 VanDerWaalsContact C-N 3.35Å; S127-M168 WeakPolarHBondContact O-CE 3.35Å
128S86.3Confident92.8Very high61 Ų6124.8 Ų24.843%0.42714%0.143SC..  trans-66.2151.3168.170.80000110.3C130 A131 L132S128-C130 PolarHBondContact O-N 3.13Å; S128-A131 PolarHBondContact O-N 3.13Å; S128-A131 WeakPolarHBondContact OG-CB 3.03Å; S128-A131 PolarHBondContact OG-N 2.8Å; S128-L132 PolarHBondContact O-N 3.19Å
129P86.6Confident93.1Very high13 Ų1324.8 Ų24.88%0.08414%0.143CC..G310 helixtrans-59.7-34.8-178.422.2-32.9000112.1A131 L132 D165 H167 M168 F171 P330P129-A131 VanDerWaalsContact C-N 3.26Å; P129-A131 PolarHBondContact O-N 2.84Å; P129-L132 WeakPolarHBondContact O-CB 3.46Å; P129-L132 PolarHBondContact O-N 3.09Å; P129-D165 WeakPolarHBondContact CD-OD2 3.31Å; P129-H167 HydrophobicContact CG-CB 3.87Å; P129-M168 HydrophobicContact CB-CE 4.11Å; P129-M168 HydrophobicContact CB-SD 4.31Å; P129-F171 HydrophobicContact CB-CB 4.45Å; P129-P330 HydrophobicContact CB-CG 4.5Å; P129-P330 WeakPolarHBondContact O-CD 3.4Å; P129-P330 WeakPolarHBondContact O-CG 3.34Å
130C88.2Confident93.3Very high95 Ų9524.8 Ų24.864%0.64214%0.143SC*.G310 helixtrans-69.9-20.2177.6-60.30000113.5S128 T328S128-C130 PolarHBondContact O-N 3.13Å; C130-T328 WeakPolarHBondContact O-CG2 3.26Å
131A90.3Very high93.4Very high53 Ų5324.9 Ų24.944%0.43814%0.143SC..G310 helixtrans-95.6-7.3176.700000113S128 P129 R133S128-A131 PolarHBondContact O-N 3.13Å; S128-A131 WeakPolarHBondContact OG-CB 3.03Å; S128-A131 PolarHBondContact OG-N 2.8Å; P129-A131 VanDerWaalsContact C-N 3.26Å; P129-A131 PolarHBondContact O-N 2.84Å; A131-R133 PolarHBondContact O-N 3.28Å; A131-R133 VanDerWaalsContact O-N 3.14Å
132L93.7Very high93.5Very high1 Ų124.9 Ų24.91%0.00514%0.143CC..  trans-68.4111.9-175.4-16772.9000110.6A124 S128 P129 Q136 L137 F171 A329A124-L132 HydrophobicContact CB-CD1 4.19Å; A124-L132 WeakPolarHBondContact O-CD1 3.47Å; S128-L132 PolarHBondContact O-N 3.19Å; P129-L132 WeakPolarHBondContact O-CB 3.46Å; P129-L132 PolarHBondContact O-N 3.09Å; L132-Q136 HydrophobicContact CD1-CB 3.6Å; L132-Q136 HydrophobicContact CG-CB 4.19Å; L132-L137 HydrophobicContact CD2-CB 4.48Å; L132-F171 HydrophobicContact CD2-CE1 4.08Å; L132-A329 HydrophobicContact CB-CB 4.08Å; L132-A329 HydrophobicContact CD2-CB 3.82Å; L132-A329 HydrophobicContact CG-CB 4.09Å; L132-A329 WeakPolarHBondContact O-CB 3.41Å; L132-A329 PolarHBondContact O-N 3.5Å
133R94.2Very high93.5Very high90 Ų9024.9 Ų24.934%0.3414%0.143SC..BIsolated β-bridgetrans-76.5163.2178.8-62.4176.6-67.8168.41.5111.2A131 S135 Q136 L137A131-R133 PolarHBondContact O-N 3.28Å; A131-R133 VanDerWaalsContact O-N 3.14Å; R133-S135 VanDerWaalsContact C-N 3.35Å; R133-S135 PolarHBondContact O-N 2.85Å; R133-Q136 CarbonylContact O-C 3.59Å; R133-Q136 WeakPolarHBondContact O-CB 3.3Å; R133-Q136 PolarHBondContact O-N 2.84Å; R133-Q136 VanDerWaalsContact O-N 3.1Å; R133-L137 PolarHBondContact O-N 3.24Å
134L94.9Very high93.7Very high11 Ų1123.6 Ų23.66%0.05814%0.135CC..Hα-helixtrans-63.4-36.6178.6-54.5179.8000113.6Q136 L137 R138 V317 V319 M327 Y332 M374 L385L134-Q136 VanDerWaalsContact C-N 3.26Å; L134-Q136 PolarHBondContact O-N 3.07Å; L134-L137 PolarHBondContact O-N 3.42Å; L134-R138 PolarHBondContact O-N 3.03Å; L134-V317 HydrophobicContact CB-CB 3.96Å; L134-V317 HydrophobicContact CB-CG1 3.74Å; L134-V317 HydrophobicContact CD1-CG1 4.3Å; L134-V319 HydrophobicContact CD1-CG2 3.65Å; L134-M327 HydrophobicContact CD1-CB 4.4Å; L134-M327 HydrophobicContact CD1-CE 3.44Å; L134-M327 VanDerWaalsContact CD1-CE 3.44Å; L134-M327 HydrophobicContact CD2-CE 4.12Å; L134-M327 HydrophobicContact CG-CE 4.37Å; L134-M327 WeakPolarHBondContact CG-O 3.38Å; L134-Y332 HydrophobicContact CD2-CD1 4.26Å; L134-Y332 HydrophobicContact CD2-CG 4.05Å; L134-M374 HydrophobicContact CB-CE 4.43Å; L134-L385 HydrophobicContact CD1-CD1 3.82Å
135S95Very high93.9Very high9 Ų923.7 Ų23.76%0.06314%0.135CC..Hα-helixtrans-59.8-39.3173.4-59.40000111.3R133 R138 T139 E286 V317R133-S135 VanDerWaalsContact C-N 3.35Å; R133-S135 PolarHBondContact O-N 2.85Å; S135-R138 WeakPolarHBondContact O-CB 3.46Å; S135-R138 PolarHBondContact O-N 2.9Å; S135-T139 WeakPolarHBondContact O-CG2 3.31Å; S135-T139 PolarHBondContact O-N 3.27Å; S135-E286 WeakPolarHBondContact CB-OE2 3.34Å; S135-E286 PolarHBondContact OG-OE1 3.02Å; S135-V317 PolarHBondContact OG-N 2.97Å
136Q96.4Very high94Very high10 Ų1023.2 Ų23.25%0.04713%0.133CC..Hα-helixtrans-75.4-35.9176.9-71.1168-39.700112.4A124 L132 R133 L134 R138 T139 V140 E287A124-Q136 HydrophobicContact CB-CB 3.77Å; A124-Q136 HydrophobicContact CB-CG 4.06Å; L132-Q136 HydrophobicContact CD1-CB 3.6Å; L132-Q136 HydrophobicContact CG-CB 4.19Å; R133-Q136 CarbonylContact O-C 3.59Å; R133-Q136 WeakPolarHBondContact O-CB 3.3Å; R133-Q136 PolarHBondContact O-N 2.84Å; R133-Q136 VanDerWaalsContact O-N 3.1Å; L134-Q136 VanDerWaalsContact C-N 3.26Å; L134-Q136 PolarHBondContact O-N 3.07Å; Q136-R138 PolarHBondContact O-N 2.95Å; Q136-T139 PolarHBondContact O-N 3.26Å; Q136-T139 PolarHBondContact O-OG1 2.74Å; Q136-V140 WeakPolarHBondContact O-CG2 3.21Å; Q136-V140 PolarHBondContact O-N 3.49Å; Q136-V140 VanDerWaalsContact O-N 3.12Å; Q136-E287 WeakPolarHBondContact CG-OE1 3.44Å; Q136-E287 PolarHBondContact NE2-OE1 3.26Å
137L97.3Very high94.4Very high2 Ų218.5 Ų18.51%0.0112%0.115CC..Hα-helixtrans-58.4-41.2170.4174.461000110.7L132 R133 L134 T139 V140 L141 L175 A329 Y332 I370 M374L132-L137 HydrophobicContact CD2-CB 4.48Å; R133-L137 PolarHBondContact O-N 3.24Å; L134-L137 PolarHBondContact O-N 3.42Å; L137-T139 PolarHBondContact O-N 3.14Å; L137-V140 PolarHBondContact O-N 2.92Å; L137-L141 HydrophobicContact CD1-CD1 4.28Å; L137-L141 HydrophobicContact CD1-CG 4.18Å; L137-L141 HydrophobicContact CG-CD1 4.2Å; L137-L141 HydrophobicContact CG-CG 4.49Å; L137-L141 WeakPolarHBondContact O-CG 3.31Å; L137-L141 PolarHBondContact O-N 2.83Å; L137-L175 HydrophobicContact CD1-CD1 3.55Å; L137-A329 HydrophobicContact CB-CB 3.92Å; L137-A329 HydrophobicContact CD1-CB 4.3Å; L137-A329 HydrophobicContact CD2-CB 3.87Å; L137-A329 HydrophobicContact CG-CB 4.24Å; L137-Y332 HydrophobicContact CD2-CD1 4.22Å; L137-I370 HydrophobicContact CD2-CG2 4.41Å; L137-M374 HydrophobicContact CD2-CE 4Å
138R97.2Very high95Very high0 Ų019 Ų190%011%0.111CC..Hα-helixtrans-62.7-41.3177.8-171.2176.1-175-155-1.7112.1L134 S135 Q136 V140 L141 V142 G315 V317 M374 T377 A378 P379 S381L134-R138 PolarHBondContact O-N 3.03Å; S135-R138 WeakPolarHBondContact O-CB 3.46Å; S135-R138 PolarHBondContact O-N 2.9Å; Q136-R138 PolarHBondContact O-N 2.95Å; R138-V140 VanDerWaalsContact C-N 3.34Å; R138-V140 PolarHBondContact O-N 2.68Å; R138-L141 PolarHBondContact O-N 3.26Å; R138-V142 HydrophobicContact CG-CG2 4.35Å; R138-V142 WeakPolarHBondContact O-CB 3.49Å; R138-V142 VanDerWaalsContact O-CG2 3.26Å; R138-V142 WeakPolarHBondContact O-CG2 3.26Å; R138-V142 PolarHBondContact O-N 2.87Å; R138-G315 PolarHBondContact NH1-O 3.32Å; R138-V317 HydrophobicContact CB-CG2 4Å; R138-V317 HydrophobicContact CG-CG2 4.49Å; R138-M374 HydrophobicContact CB-SD 4.2Å; R138-M374 PolarHBondContact NE-O 3Å; R138-T377 PolarHBondContact NH2-O 2.85Å; R138-A378 PolarHBondContact NH2-O 3.29Å; R138-P379 PolarHBondContact NH1-O 2.98Å; R138-P379 PolarHBondContact NH2-O 3.23Å; R138-S381 PolarHBondContact NH1-O 3.37Å; R138-S381 PolarHBondContact NH2-O 3.33Å
139T97.8Very high95.3Very high0 Ų016.1 Ų16.10%09%0.091CC..Hα-helixtrans-63.4-41.7177.4610000111.5S135 Q136 L137 V142 A143 S284 C314S135-T139 WeakPolarHBondContact O-CG2 3.31Å; S135-T139 PolarHBondContact O-N 3.27Å; Q136-T139 PolarHBondContact O-N 3.26Å; Q136-T139 PolarHBondContact O-OG1 2.74Å; L137-T139 PolarHBondContact O-N 3.14Å; T139-V142 PolarHBondContact O-N 3.21Å; T139-A143 VanDerWaalsContact O-CB 3.3Å; T139-A143 WeakPolarHBondContact O-CB 3.5Å; T139-A143 PolarHBondContact O-N 3.23Å; T139-S284 VanDerWaalsContact CG2-N 3.27Å; T139-C314 HydrophobicContact CG2-CB 3.7Å
140V98.2Very high95.6Very high0 Ų015.7 Ų15.70%09%0.087CC..Hα-helixtrans-59.2-48.6174.9174.60000111.4A124 L125 Q136 L137 R138 V142 A143 D144 L172 V177A124-V140 HydrophobicContact CB-CG2 4.04Å; L125-V140 HydrophobicContact CD2-CB 4.5Å; L125-V140 HydrophobicContact CD2-CG1 4.06Å; L125-V140 HydrophobicContact CD2-CG2 3.55Å; L125-V140 HydrophobicContact CG-CG2 3.86Å; Q136-V140 WeakPolarHBondContact O-CG2 3.21Å; Q136-V140 PolarHBondContact O-N 3.49Å; Q136-V140 VanDerWaalsContact O-N 3.12Å; L137-V140 PolarHBondContact O-N 2.92Å; R138-V140 VanDerWaalsContact C-N 3.34Å; R138-V140 PolarHBondContact O-N 2.68Å; V140-V142 PolarHBondContact O-N 3.17Å; V140-A143 PolarHBondContact O-N 3Å; V140-D144 PolarHBondContact O-N 3.14Å; V140-L172 HydrophobicContact CG1-CD2 3.71Å; V140-V177 HydrophobicContact CG1-CG1 4.23Å
141L98.3Very high95.8Very high1 Ų115.4 Ų15.41%0.0057%0.073CC..Hα-helixtrans-65.8-38.3179.3-65.6178.1000112.4L137 R138 H145 V177 I370 K371 M374 L375L137-L141 HydrophobicContact CD1-CD1 4.28Å; L137-L141 HydrophobicContact CD1-CG 4.18Å; L137-L141 HydrophobicContact CG-CD1 4.2Å; L137-L141 HydrophobicContact CG-CG 4.49Å; L137-L141 WeakPolarHBondContact O-CG 3.31Å; L137-L141 PolarHBondContact O-N 2.83Å; R138-L141 PolarHBondContact O-N 3.26Å; L141-H145 VanDerWaalsContact O-CB 3.31Å; L141-H145 WeakPolarHBondContact O-CB 3.42Å; L141-H145 PolarHBondContact O-N 3.36Å; L141-V177 HydrophobicContact CD2-CG2 3.75Å; L141-I370 HydrophobicContact CD1-CG2 4.17Å; L141-K371 HydrophobicContact CD2-CG 4.28Å; L141-M374 HydrophobicContact CD1-CB 3.7Å; L141-M374 HydrophobicContact CD1-CG 3.81Å; L141-L375 HydrophobicContact CB-CD2 4.05Å; L141-L375 HydrophobicContact CB-CG 4.42Å
142V98.1Very high95.7Very high1 Ų115.3 Ų15.31%0.0067%0.072CC..Hα-helixtrans-65.8-42.5175.41680000110.7R138 T139 V140 L146 V282 L312 L375 P379 T479R138-V142 HydrophobicContact CG-CG2 4.35Å; R138-V142 WeakPolarHBondContact O-CB 3.49Å; R138-V142 VanDerWaalsContact O-CG2 3.26Å; R138-V142 WeakPolarHBondContact O-CG2 3.26Å; R138-V142 PolarHBondContact O-N 2.87Å; T139-V142 PolarHBondContact O-N 3.21Å; V140-V142 PolarHBondContact O-N 3.17Å; V142-L146 WeakPolarHBondContact O-CB 3.5Å; V142-L146 PolarHBondContact O-N 2.9Å; V142-V282 HydrophobicContact CB-CG1 4.36Å; V142-V282 HydrophobicContact CG1-CG1 4.04Å; V142-L312 HydrophobicContact CG1-CD2 3.73Å; V142-L375 HydrophobicContact CG2-CD2 3.73Å; V142-P379 HydrophobicContact CG1-CB 4.34Å; V142-P379 HydrophobicContact CG1-CG 4.12Å; V142-P379 HydrophobicContact CG2-CB 4.39Å; V142-P379 HydrophobicContact CG2-CG 4.26Å; V142-T479 HydrophobicContact CG1-CG2 4.21Å
143A98Very high95.4Very high0 Ų016 Ų160%08%0.075CC..Hα-helixtrans-64.9-47.1178.800000112.1C122 T139 V140 L146 A147 W179 V282C122-A143 HydrophobicContact CB-CB 4.29Å; T139-A143 VanDerWaalsContact O-CB 3.3Å; T139-A143 WeakPolarHBondContact O-CB 3.5Å; T139-A143 PolarHBondContact O-N 3.23Å; V140-A143 PolarHBondContact O-N 3Å; A143-L146 PolarHBondContact O-N 2.88Å; A143-A147 WeakPolarHBondContact O-CB 3.39Å; A143-A147 PolarHBondContact O-N 2.82Å; A143-W179 HydrophobicContact CB-CH2 3.96Å; A143-W179 HydrophobicContact CB-CZ3 3.86Å; A143-V282 HydrophobicContact CB-CB 4.15Å; A143-V282 HydrophobicContact CB-CG1 4.2Å; A143-V282 HydrophobicContact CB-CG2 4.07Å
144D98Very high95Very high2 Ų213.6 Ų13.61%0.0118%0.078CC..Hα-helixtrans-59.5-46.9175.3171.780.8000111.7V140 A147 R148 V177 D178V140-D144 PolarHBondContact O-N 3.14Å; D144-A147 WeakPolarHBondContact O-CB 3.49Å; D144-A147 PolarHBondContact O-N 2.82Å; D144-R148 WeakPolarHBondContact O-CG 3.26Å; D144-R148 PolarHBondContact O-N 3.04Å; D144-R148 IonicContact OD1-CZ 3.53Å; D144-R148 IonicContact OD1-NE 3.26Å; D144-R148 PolarHBondContact OD1-NE 3.06Å; D144-R148 IonicContact OD1-NH2 2.87Å; D144-R148 PolarHBondContact OD1-NH2 3.4Å; D144-R148 IonicContact OD2-CZ 3.48Å; D144-R148 IonicContact OD2-NE 2.68Å; D144-R148 PolarHBondContact OD2-NE 3.28Å; D144-R148 IonicContact OD2-NH2 3.54Å; D144-R148 PolarHBondContact OD2-NH2 3.36Å; D144-V177 HydrophobicContact CB-CG1 3.89Å; D144-V177 HydrophobicContact CB-CG2 4.38Å; D144-D178 PolarHBondContact OD1-N 2.95Å
145H97.6Very high94.7Very high1 Ų113.3 Ų13.31%0.0058%0.077CC..Hα-helixtrans-64.7-43.6179.4-178.963.6000112.3L141 A147 R148 A149 L375 T463 T479 M534L141-H145 VanDerWaalsContact O-CB 3.31Å; L141-H145 WeakPolarHBondContact O-CB 3.42Å; L141-H145 PolarHBondContact O-N 3.36Å; H145-A147 VanDerWaalsContact C-N 3.31Å; H145-A147 PolarHBondContact O-N 3.16Å; H145-R148 PolarHBondContact O-N 2.79Å; H145-A149 PolarHBondContact O-N 3.42Å; H145-L375 HydrophobicContact CB-CD1 4.31Å; H145-T463 WeakPolarHBondContact NE2-CG2 3.35Å; H145-T479 VanDerWaalsContact CD2-CB 3.4Å; H145-T479 WeakPolarHBondContact CD2-CB 3.26Å; H145-T479 PolarHBondContact NE2-O 2.95Å; H145-M534 PolarHBondContact CE1-O 3.44Å; H145-M534 PolarHBondContact ND1-O 3.43Å
146L96.6Very high94.4Very high0 Ų013.5 Ų13.50%08%0.078CC..Hα-helixtrans-62.8-39.6176.218058.6000111.2L120 V142 A143 A149 L150 L312 L466 A477 T479L120-L146 HydrophobicContact CD1-CG 4.43Å; L120-L146 HydrophobicContact CD2-CD2 3.81Å; L120-L146 HydrophobicContact CD2-CG 4.36Å; V142-L146 WeakPolarHBondContact O-CB 3.5Å; V142-L146 PolarHBondContact O-N 2.9Å; A143-L146 PolarHBondContact O-N 2.88Å; L146-A149 PolarHBondContact O-N 3.03Å; L146-L150 HydrophobicContact CD1-CD1 4.07Å; L146-L150 HydrophobicContact CD1-CG 4.04Å; L146-L150 HydrophobicContact CG-CD1 3.87Å; L146-L150 HydrophobicContact CG-CG 4.32Å; L146-L150 WeakPolarHBondContact O-CB 3.43Å; L146-L150 VanDerWaalsContact O-CG 3.3Å; L146-L150 WeakPolarHBondContact O-CG 3.48Å; L146-L150 PolarHBondContact O-N 2.86Å; L146-L312 HydrophobicContact CD2-CD2 3.93Å; L146-L466 HydrophobicContact CD1-CD2 4.18Å; L146-L466 HydrophobicContact CD1-CG 4.5Å; L146-L466 HydrophobicContact CD2-CD2 4.23Å; L146-A477 HydrophobicContact CD1-CB 4.44Å; L146-A477 HydrophobicContact CD2-CB 4.45Å; L146-T479 HydrophobicContact CB-CG2 4.39Å
147A96.4Very high94.2Very high0 Ų013.8 Ų13.80%08%0.08CC..Hα-helixtrans-60.8-46.4176.100000112.1L120 A143 D144 H145 A149 L150 R151 V157 L159L120-A147 HydrophobicContact CD1-CB 3.64Å; A143-A147 WeakPolarHBondContact O-CB 3.39Å; A143-A147 PolarHBondContact O-N 2.82Å; D144-A147 WeakPolarHBondContact O-CB 3.49Å; D144-A147 PolarHBondContact O-N 2.82Å; H145-A147 VanDerWaalsContact C-N 3.31Å; H145-A147 PolarHBondContact O-N 3.16Å; A147-A149 VanDerWaalsContact C-N 3.3Å; A147-A149 PolarHBondContact O-N 2.76Å; A147-L150 PolarHBondContact O-N 3.17Å; A147-R151 WeakPolarHBondContact O-CB 3.38Å; A147-R151 VanDerWaalsContact O-CG 3.25Å; A147-R151 WeakPolarHBondContact O-CG 3.32Å; A147-R151 PolarHBondContact O-N 2.83Å; A147-V157 HydrophobicContact CB-CG1 3.95Å; A147-L159 HydrophobicContact CB-CD1 4.47Å; A147-L159 HydrophobicContact CB-CD2 3.74Å
148R95.6Very high93.9Very high50 Ų5016.9 Ų16.919%0.1899%0.092CC..Hα-helixtrans-59.6-42.5174.4-67.3168.4-165.4-101.6-3.8111.2D144 H145 R151 A152 R176 A533 M534D144-R148 WeakPolarHBondContact O-CG 3.26Å; D144-R148 PolarHBondContact O-N 3.04Å; D144-R148 IonicContact OD1-CZ 3.53Å; D144-R148 IonicContact OD1-NE 3.26Å; D144-R148 PolarHBondContact OD1-NE 3.06Å; D144-R148 IonicContact OD1-NH2 2.87Å; D144-R148 PolarHBondContact OD1-NH2 3.4Å; D144-R148 IonicContact OD2-CZ 3.48Å; D144-R148 IonicContact OD2-NE 2.68Å; D144-R148 PolarHBondContact OD2-NE 3.28Å; D144-R148 IonicContact OD2-NH2 3.54Å; D144-R148 PolarHBondContact OD2-NH2 3.36Å; H145-R148 PolarHBondContact O-N 2.79Å; R148-R151 PolarHBondContact O-N 2.97Å; R148-A152 WeakPolarHBondContact O-CB 3.4Å; R148-A152 PolarHBondContact O-N 3.38Å; R148-R176 PolarHBondContact NH2-O 3.03Å; R148-A533 PolarHBondContact NH1-O 2.92Å; R148-M534 WeakPolarHBondContact CD-O 3.31Å
149A93.9Very high93.8Very high0 Ų017.3 Ų17.30%09%0.094CC..Hα-helixtrans-63.3-49.8178.900000112.7H145 L146 A147 R151 A152 H153 T463 A464 M534H145-A149 PolarHBondContact O-N 3.42Å; L146-A149 PolarHBondContact O-N 3.03Å; A147-A149 VanDerWaalsContact C-N 3.3Å; A147-A149 PolarHBondContact O-N 2.76Å; A149-R151 PolarHBondContact O-N 2.92Å; A149-A152 PolarHBondContact O-N 3.35Å; A149-H153 PolarHBondContact O-N 3.4Å; A149-H153 PolarHBondContact O-ND1 2.97Å; A149-T463 HydrophobicContact CB-CG2 3.88Å; A149-A464 HydrophobicContact CB-CB 4.11Å; A149-A464 WeakPolarHBondContact O-CB 3.14Å; A149-M534 HydrophobicContact CB-CE 3.56Å
150L92.4Very high93.7Very high3 Ų317.6 Ų17.62%0.01610%0.096CC..Hα-helixtrans-60.3-46176.8-71.9170.5000111.5V118 L120 L146 A147 A152 H153 G154 V155 V157 A464 L466V118-L150 HydrophobicContact CB-CD1 4.27Å; V118-L150 HydrophobicContact CG1-CD1 3.96Å; V118-L150 HydrophobicContact CG2-CD1 4.43Å; L120-L150 HydrophobicContact CD1-CD1 4.35Å; L146-L150 HydrophobicContact CD1-CD1 4.07Å; L146-L150 HydrophobicContact CD1-CG 4.04Å; L146-L150 HydrophobicContact CG-CD1 3.87Å; L146-L150 HydrophobicContact CG-CG 4.32Å; L146-L150 WeakPolarHBondContact O-CB 3.43Å; L146-L150 VanDerWaalsContact O-CG 3.3Å; L146-L150 WeakPolarHBondContact O-CG 3.48Å; L146-L150 PolarHBondContact O-N 2.86Å; A147-L150 PolarHBondContact O-N 3.17Å; L150-A152 PolarHBondContact O-N 2.8Å; L150-H153 WeakPolarHBondContact O-CA 3.22Å; L150-H153 WeakPolarHBondContact O-CB 3.4Å; L150-H153 PolarHBondContact O-N 3.29Å; L150-G154 PolarHBondContact O-N 3.13Å; L150-V155 HydrophobicContact CB-CB 3.98Å; L150-V155 HydrophobicContact CB-CG1 4.25Å; L150-V155 HydrophobicContact CB-CG2 4.46Å; L150-V155 HydrophobicContact CD2-CB 4.4Å; L150-V155 HydrophobicContact CD2-CG1 4.35Å; L150-V155 HydrophobicContact CD2-CG2 4.15Å; L150-V155 VanDerWaalsContact O-CB 3.31Å; L150-V155 WeakPolarHBondContact O-CB 3.26Å; L150-V155 PolarHBondContact O-N 2.87Å; L150-V157 HydrophobicContact CB-CG2 3.39Å; L150-V157 HydrophobicContact CD1-CG2 4.04Å; L150-V157 HydrophobicContact CG-CG2 4.38Å; L150-A464 HydrophobicContact CD2-CB 4.46Å; L150-A464 VanDerWaalsContact CD2-O 3.26Å; L150-A464 WeakPolarHBondContact CD2-O 3.15Å; L150-L466 HydrophobicContact CD1-CD1 4.05Å; L150-L466 HydrophobicContact CD2-CD1 4.01Å; L150-L466 HydrophobicContact CD2-CG 4.39Å
151R91.8Very high93.4Very high90 Ų9017.7 Ų17.734%0.3410%0.097SC..Hα-helixtrans-60.9-41.3176.8-73.2174.1-173.9145.13.7112.7A147 R148 A149 H153 G154 V157 D178A147-R151 WeakPolarHBondContact O-CB 3.38Å; A147-R151 VanDerWaalsContact O-CG 3.25Å; A147-R151 WeakPolarHBondContact O-CG 3.32Å; A147-R151 PolarHBondContact O-N 2.83Å; R148-R151 PolarHBondContact O-N 2.97Å; A149-R151 PolarHBondContact O-N 2.92Å; R151-H153 PolarHBondContact O-N 3.22Å; R151-H153 VanDerWaalsContact O-N 3.14Å; R151-G154 PolarHBondContact O-N 2.7Å; R151-V157 HydrophobicContact CG-CB 4.04Å; R151-V157 HydrophobicContact CG-CG2 3.94Å; R151-V157 PolarHBondContact NH2-O 3.26Å; R151-D178 IonicContact NH1-OD2 3.69Å
152A89.6Confident93.1Very high50 Ų5019.3 Ų19.341%0.41311%0.11SC..Hα-helixtrans-61-23176.100000112.8P108 R148 A149 L150 M534P108-A152 WeakPolarHBondContact CG-O 3.27Å; R148-A152 WeakPolarHBondContact O-CB 3.4Å; R148-A152 PolarHBondContact O-N 3.38Å; A149-A152 PolarHBondContact O-N 3.35Å; L150-A152 PolarHBondContact O-N 2.8Å; A152-M534 HydrophobicContact CB-SD 4.1Å
153H86.8Confident92.9Very high16 Ų1619.5 Ų19.57%0.07411%0.111CC..THydrogen-bonded Turntrans-90.50.1175.4-70.769.2000113.6P108 A112 A149 L150 R151 V155 L460 S461 A464P108-H153 WeakPolarHBondContact CB-NE2 3.44Å; P108-H153 WeakPolarHBondContact CG-CE1 3.26Å; P108-H153 VanDerWaalsContact CG-NE2 3.26Å; P108-H153 WeakPolarHBondContact CG-NE2 3.17Å; A112-H153 HydrophobicContact CB-CB 4.36Å; A112-H153 WeakPolarHBondContact CB-O 3.31Å; A112-H153 PolarHBondContact N-O 2.91Å; A149-H153 PolarHBondContact O-N 3.4Å; A149-H153 PolarHBondContact O-ND1 2.97Å; L150-H153 WeakPolarHBondContact O-CA 3.22Å; L150-H153 WeakPolarHBondContact O-CB 3.4Å; L150-H153 PolarHBondContact O-N 3.29Å; R151-H153 PolarHBondContact O-N 3.22Å; R151-H153 VanDerWaalsContact O-N 3.14Å; H153-V155 HydrophobicContact CB-CG2 4.48Å; H153-L460 PolarHBondContact CE1-O 3.33Å; H153-L460 PolarHBondContact NE2-O 3.22Å; H153-S461 WeakPolarHBondContact NE2-CA 3.3Å; H153-S461 PolarHBondContact NE2-N 3.46Å; H153-S461 PolarHBondContact NE2-OG 3.47Å; H153-A464 HydrophobicContact CB-CB 4.2Å; H153-A464 WeakPolarHBondContact CE1-CB 3.28Å; H153-A464 VanDerWaalsContact CG-CB 3.44Å; H153-A464 WeakPolarHBondContact ND1-CB 3.45Å
154G86.4Confident92.3Very high39 Ų3923.6 Ų23.640%0.40213%0.13SC..THydrogen-bonded Turntrans81.615.9-176.100000114L150 R151L150-G154 PolarHBondContact O-N 3.13Å; R151-G154 PolarHBondContact O-N 2.7Å
155V87.1Confident92Very high5 Ų526 Ų263%0.0314%0.143CC..  trans-78.4135.1171.2179.70000109A112 Q116 V118 L150 H153 V157A112-V155 HydrophobicContact CB-CG2 3.81Å; Q116-V155 HydrophobicContact CB-CG1 4.43Å; Q116-V155 HydrophobicContact CG-CG1 4.33Å; Q116-V155 WeakPolarHBondContact O-CG1 3.06Å; V118-V155 HydrophobicContact CB-CG1 4.11Å; V118-V155 HydrophobicContact CG2-CG1 3.57Å; L150-V155 HydrophobicContact CB-CB 3.98Å; L150-V155 HydrophobicContact CB-CG1 4.25Å; L150-V155 HydrophobicContact CB-CG2 4.46Å; L150-V155 HydrophobicContact CD2-CB 4.4Å; L150-V155 HydrophobicContact CD2-CG1 4.35Å; L150-V155 HydrophobicContact CD2-CG2 4.15Å; L150-V155 VanDerWaalsContact O-CB 3.31Å; L150-V155 WeakPolarHBondContact O-CB 3.26Å; L150-V155 PolarHBondContact O-N 2.87Å; H153-V155 HydrophobicContact CB-CG2 4.48Å; V155-V157 HydrophobicContact CB-CG2 4.45Å; V155-V157 HydrophobicContact CG1-CG2 4.16Å; V155-V157 PolarHBondContact O-N 3.4Å
156C88.5Confident91.7Very high14 Ų1430 Ų3010%0.09517%0.17CC..EExtended strand (participates in β ladder)trans-79.7114.7175.4-154.10000108.6Q116 R117 V118 W258 S262Q116-C156 PolarHBondContact O-N 3.49Å; R117-C156 HydrophobicContact CG-CB 4.45Å; V118-C156 PolarHBondContact N-O 2.95Å; C156-W258 HydrophobicContact CB-CE3 4.26Å; C156-W258 HydrophobicContact CB-CH2 4.37Å; C156-W258 HydrophobicContact CB-CZ3 3.56Å; C156-W258 VanDerWaalsContact O-CH2 3.27Å; C156-W258 WeakPolarHBondContact O-CH2 3.2Å; C156-W258 WeakPolarHBondContact O-CZ3 3.5Å; C156-W258 VanDerWaalsContact SG-CE3 3.59Å; C156-W258 WeakPolarHBondContact SG-CZ3 3.49Å; C156-S262 VanDerWaalsContact SG-CB 3.52Å
157V91.9Very high91.6Very high15 Ų1536.6 Ų36.69%0.09120%0.2CC..EExtended strand (participates in β ladder)trans-116.3122-173.4-177.10000111.6V118 L120 A147 L150 R151 V155 L159V118-V157 VanDerWaalsContact O-CA 3.31Å; V118-V157 WeakPolarHBondContact O-CA 3.09Å; L120-V157 HydrophobicContact CD1-CG1 3.64Å; L120-V157 HydrophobicContact CG-CG1 4.03Å; A147-V157 HydrophobicContact CB-CG1 3.95Å; L150-V157 HydrophobicContact CB-CG2 3.39Å; L150-V157 HydrophobicContact CD1-CG2 4.04Å; L150-V157 HydrophobicContact CG-CG2 4.38Å; R151-V157 HydrophobicContact CG-CB 4.04Å; R151-V157 HydrophobicContact CG-CG2 3.94Å; R151-V157 PolarHBondContact NH2-O 3.26Å; V155-V157 HydrophobicContact CB-CG2 4.45Å; V155-V157 HydrophobicContact CG1-CG2 4.16Å; V155-V157 PolarHBondContact O-N 3.4Å; V157-L159 HydrophobicContact CG1-CD2 4.23Å
158R92.7Very high91.6Very high67 Ų6736.7 Ų36.725%0.25320%0.2SC..EExtended strand (participates in β ladder)trans-105134.8169.6-166.8170.2-171.8161.18.1110.9V118 L119 L120 V160 A254 H257 W258V118-R158 PolarHBondContact O-N 3.17Å; L119-R158 CarbonylContact C-O 3.58Å; L119-R158 WeakPolarHBondContact CA-O 3.1Å; L120-R158 PolarHBondContact N-O 3.02Å; R158-V160 HydrophobicContact CG-CG2 4.43Å; R158-A254 VanDerWaalsContact CD-O 3.26Å; R158-A254 WeakPolarHBondContact CD-O 3.42Å; R158-A254 VanDerWaalsContact NH1-C 3.32Å; R158-A254 VanDerWaalsContact NH1-CA 3.27Å; R158-A254 PolarHBondContact NH1-O 3.18Å; R158-H257 VanDerWaalsContact NH1-C 3.3Å; R158-H257 PolarHBondContact NH1-O 3.36Å; R158-H257 PolarHBondContact NH2-O 2.96Å; R158-W258 HydrophobicContact CB-CH2 4.13Å; R158-W258 HydrophobicContact CB-CZ2 4.35Å; R158-W258 HydrophobicContact CB-CZ3 4.45Å
159L95.1Very high91.5Very high10 Ų1036.3 Ų36.35%0.05220%0.202CC..EExtended strand (participates in β ladder)trans-104.7132.5179.7-63.8176.3000109.6L120 A147 V157 D178 W179 P180L120-L159 HydrophobicContact CB-CD2 3.83Å; L120-L159 HydrophobicContact CD1-CD2 3.86Å; L120-L159 HydrophobicContact CG-CD2 4.4Å; A147-L159 HydrophobicContact CB-CD1 4.47Å; A147-L159 HydrophobicContact CB-CD2 3.74Å; V157-L159 HydrophobicContact CG1-CD2 4.23Å; L159-D178 WeakPolarHBondContact CD1-O 3.27Å; L159-W179 HydrophobicContact CB-CD2 4.28Å; L159-W179 HydrophobicContact CB-CE3 4.5Å; L159-W179 HydrophobicContact CB-CH2 4.09Å; L159-W179 HydrophobicContact CB-CZ2 3.81Å; L159-W179 HydrophobicContact CB-CZ3 4.41Å; L159-W179 HydrophobicContact CD1-CD2 4.04Å; L159-W179 HydrophobicContact CD1-CE3 3.75Å; L159-W179 HydrophobicContact CD1-CZ3 4.01Å; L159-W179 HydrophobicContact CD2-CE3 4.35Å; L159-W179 HydrophobicContact CD2-CH2 3.74Å; L159-W179 HydrophobicContact CD2-CZ2 4.34Å; L159-W179 HydrophobicContact CD2-CZ3 3.74Å; L159-W179 HydrophobicContact CG-CE3 4.41Å; L159-W179 HydrophobicContact CG-CH2 4.32Å; L159-W179 HydrophobicContact CG-CZ3 4.26Å; L159-P180 HydrophobicContact CB-CG 3.86Å
160V94.1Very high91.6Very high5 Ų540.2 Ų40.23%0.0323%0.226CC..EExtended strand (participates in β ladder)trans-138.6139.3-178-175.50000109.3L119 L120 H121 C122 R158 L251 A254L119-V160 HydrophobicContact CD1-CG2 4.12Å; L119-V160 HydrophobicContact CD2-CB 4.14Å; L119-V160 HydrophobicContact CD2-CG2 3.8Å; L119-V160 HydrophobicContact CG-CG2 3.91Å; L120-V160 PolarHBondContact O-N 3.28Å; H121-V160 CarbonylContact C-O 3.54Å; H121-V160 VanDerWaalsContact CA-O 3.31Å; H121-V160 WeakPolarHBondContact CA-O 3.33Å; C122-V160 PolarHBondContact N-O 3.18Å; R158-V160 HydrophobicContact CG-CG2 4.43Å; V160-L251 HydrophobicContact CB-CD2 4.34Å; V160-L251 HydrophobicContact CG1-CD2 3.9Å; V160-L251 HydrophobicContact CG1-CG 4.31Å; V160-A254 HydrophobicContact CG2-CB 3.48Å; V160-A254 VanDerWaalsContact CG2-CB 3.48Å
161P93.5Very high91.8Very high3 Ų340.6 Ų40.62%0.01923%0.227CC..SBendcis-76.6160.3-0.734.4-36.8000112.6C122 L125 R126 W179 E250C122-P161 WeakPolarHBondContact O-CD 3.33Å; L125-P161 HydrophobicContact CB-CG 4.08Å; R126-P161 HydrophobicContact CG-CG 3.95Å; P161-W179 PolarHBondContact O-NE1 3.15Å; P161-E250 VanDerWaalsContact CB-OE2 3.26Å; P161-E250 WeakPolarHBondContact CB-OE2 3.3Å
162A91.4Very high92.1Very high34 Ų3436.4 Ų36.428%0.28121%0.212SC..PPolyproline II helixtrans-71.7134.4162.200000109Q164 P180 A182A162-Q164 PolarHBondContact O-N 2.93Å; A162-P180 WeakPolarHBondContact CA-O 3.06Å; A162-P180 HydrophobicContact CB-CB 4.41Å; A162-A182 HydrophobicContact CB-CB 3.85Å
163V92.6Very high92.4Very high6 Ų639 Ų394%0.03622%0.215CC..BIsolated β-bridgetrans-76.1122.5-174.8173.20000109.7L125 D165 M168 L169 L172 W179 P180 A182L125-V163 HydrophobicContact CB-CG2 4.32Å; L125-V163 HydrophobicContact CD1-CG2 4.37Å; V163-D165 WeakPolarHBondContact CG1-O 3.42Å; V163-M168 HydrophobicContact CG1-CB 3.75Å; V163-M168 HydrophobicContact CG1-CG 3.77Å; V163-M168 HydrophobicContact CG2-CG 4.36Å; V163-L169 HydrophobicContact CG1-CB 4.2Å; V163-L172 HydrophobicContact CG2-CD1 3.94Å; V163-W179 HydrophobicContact CG2-CG 4.45Å; V163-P180 PolarHBondContact N-O 2.91Å; V163-A182 PolarHBondContact O-N 2.79Å
164Q87.3Confident92.8Very high86 Ų8642.1 Ų42.140%0.40223%0.23SC..  trans-92.1-32.4176.5-67.4-178.925.900112.7A162 P166 A182A162-Q164 PolarHBondContact O-N 2.93Å; Q164-P166 VanDerWaalsContact O-CD 3.3Å; Q164-P166 WeakPolarHBondContact O-CD 3.47Å; Q164-A182 HydrophobicContact CB-CB 4.5Å; Q164-A182 HydrophobicContact CG-CB 3.57Å
165D90.7Very high93.3Very high51 Ų5140.3 Ų40.327%0.27321%0.211SC..  trans-77.2115.6-178-179.7-4.5000110.8P129 V163 H167 M168 L169P129-D165 WeakPolarHBondContact CD-OD2 3.31Å; V163-D165 WeakPolarHBondContact CG1-O 3.42Å; D165-H167 PolarHBondContact O-N 3.39Å; D165-H167 WeakPolarHBondContact OD1-CB 3.26Å; D165-H167 IonicContact OD1-CD2 2.91Å; D165-H167 IonicContact OD1-CG 3.83Å; D165-H167 PolarHBondContact OD1-N 2.99Å; D165-M168 HydrophobicContact CB-CB 3.96Å; D165-M168 WeakPolarHBondContact O-CB 3.48Å; D165-M168 PolarHBondContact O-N 3.48Å; D165-M168 VanDerWaalsContact O-N 3.13Å; D165-L169 PolarHBondContact O-N 2.91Å
166P91.8Very high93.8Very high87 Ų8744.2 Ų44.257%0.56523%0.225SC*.Hα-helixtrans-60.6-29.8178.3-22.134.1000113.5Q164 L169 T170Q164-P166 VanDerWaalsContact O-CD 3.3Å; Q164-P166 WeakPolarHBondContact O-CD 3.47Å; P166-L169 PolarHBondContact O-N 3.46Å; P166-T170 WeakPolarHBondContact O-CB 3.43Å; P166-T170 PolarHBondContact O-N 2.81Å; P166-T170 PolarHBondContact O-OG1 3.31Å
167H94.6Very high94.2Very high138 Ų13844 Ų4464%0.63922%0.223SC*.Hα-helixtrans-70.9-38.5177.4-62-66.6000111.2P129 D165 T170 F171P129-H167 HydrophobicContact CG-CB 3.87Å; D165-H167 PolarHBondContact O-N 3.39Å; D165-H167 WeakPolarHBondContact OD1-CB 3.26Å; D165-H167 IonicContact OD1-CD2 2.91Å; D165-H167 IonicContact OD1-CG 3.83Å; D165-H167 PolarHBondContact OD1-N 2.99Å; H167-T170 PolarHBondContact O-N 3.47Å; H167-F171 WeakPolarHBondContact O-CB 3.35Å; H167-F171 PolarHBondContact O-N 3.35Å
168M95.3Very high94.3Very high1 Ų147.8 Ų47.81%0.00524%0.243CC..Hα-helixtrans-62.9-46.9171.9-178.861.577.800110.4L125 S127 P129 V163 D165 T170 F171 L172L125-M168 HydrophobicContact CD2-CG 4.4Å; L125-M168 HydrophobicContact CD2-SD 4.15Å; S127-M168 WeakPolarHBondContact O-CE 3.35Å; P129-M168 HydrophobicContact CB-CE 4.11Å; P129-M168 HydrophobicContact CB-SD 4.31Å; V163-M168 HydrophobicContact CG1-CB 3.75Å; V163-M168 HydrophobicContact CG1-CG 3.77Å; V163-M168 HydrophobicContact CG2-CG 4.36Å; D165-M168 HydrophobicContact CB-CB 3.96Å; D165-M168 WeakPolarHBondContact O-CB 3.48Å; D165-M168 PolarHBondContact O-N 3.48Å; D165-M168 VanDerWaalsContact O-N 3.13Å; M168-T170 VanDerWaalsContact C-N 3.32Å; M168-T170 PolarHBondContact O-N 3.44Å; M168-F171 WeakPolarHBondContact O-CB 3.39Å; M168-F171 PolarHBondContact O-N 2.94Å; M168-F171 VanDerWaalsContact O-N 3.12Å; M168-F171 HydrophobicContact SD-CD1 4.4Å; M168-L172 HydrophobicContact CG-CD1 4.33Å; M168-L172 HydrophobicContact CG-CG 4.38Å; M168-L172 WeakPolarHBondContact O-CG 3.46Å; M168-L172 PolarHBondContact O-N 2.78Å; M168-L172 HydrophobicContact SD-CD2 4.43Å; M168-L172 HydrophobicContact SD-CG 4.32Å
169L94.4Very high94.4Very high42 Ų4245.2 Ų45.222%0.2223%0.233CC..Hα-helixtrans-58.6-44.8178.5-174.465.1000111.8V163 D165 P166 F171 L172 Q173 A181V163-L169 HydrophobicContact CG1-CB 4.2Å; D165-L169 PolarHBondContact O-N 2.91Å; P166-L169 PolarHBondContact O-N 3.46Å; L169-F171 VanDerWaalsContact C-N 3.32Å; L169-F171 PolarHBondContact O-N 3.43Å; L169-L172 PolarHBondContact O-N 2.97Å; L169-Q173 VanDerWaalsContact O-CG 3.31Å; L169-Q173 WeakPolarHBondContact O-CG 3.19Å; L169-Q173 PolarHBondContact O-N 3.43Å; L169-A181 HydrophobicContact CD2-CB 4Å
170T95.6Very high94.3Very high82 Ų8247 Ų4750%0.50325%0.246SC..Hα-helixtrans-60.6-42176.1-56.10000111.5P166 H167 M168 Q173 Q174P166-T170 WeakPolarHBondContact O-CB 3.43Å; P166-T170 PolarHBondContact O-N 2.81Å; P166-T170 PolarHBondContact O-OG1 3.31Å; H167-T170 PolarHBondContact O-N 3.47Å; M168-T170 VanDerWaalsContact C-N 3.32Å; M168-T170 PolarHBondContact O-N 3.44Å; T170-Q173 PolarHBondContact O-N 2.84Å; T170-Q174 WeakPolarHBondContact O-CB 3.45Å; T170-Q174 PolarHBondContact O-N 3.49Å
171F96.8Very high94.1Very high12 Ų1249.7 Ų49.75%0.05327%0.268CS..Hα-helixtrans-66-40177-179.1-116.9000112.5P129 L132 H167 M168 L169 Q174 L175 A329 P330P129-F171 HydrophobicContact CB-CB 4.45Å; L132-F171 HydrophobicContact CD2-CE1 4.08Å; H167-F171 WeakPolarHBondContact O-CB 3.35Å; H167-F171 PolarHBondContact O-N 3.35Å; M168-F171 WeakPolarHBondContact O-CB 3.39Å; M168-F171 PolarHBondContact O-N 2.94Å; M168-F171 VanDerWaalsContact O-N 3.12Å; M168-F171 HydrophobicContact SD-CD1 4.4Å; L169-F171 VanDerWaalsContact C-N 3.32Å; L169-F171 PolarHBondContact O-N 3.43Å; F171-Q174 WeakPolarHBondContact O-CB 3.07Å; F171-Q174 PolarHBondContact O-N 3.12Å; F171-L175 HydrophobicContact CD1-CD1 4.06Å; F171-L175 HydrophobicContact CE1-CD1 3.51Å; F171-L175 HydrophobicContact CE1-CG 4.48Å; F171-L175 HydrophobicContact CE2-CD1 4.14Å; F171-L175 HydrophobicContact CE2-CG 4.31Å; F171-L175 HydrophobicContact CZ-CD1 3.55Å; F171-L175 HydrophobicContact CZ-CG 4.18Å; F171-L175 WeakPolarHBondContact O-CG 3.32Å; F171-L175 PolarHBondContact O-N 2.89Å; F171-A329 HydrophobicContact CE1-CB 3.84Å; F171-A329 HydrophobicContact CZ-CB 3.79Å; F171-P330 HydrophobicContact CD2-CG 4.49Å; F171-P330 HydrophobicContact CE1-CG 4.48Å; F171-P330 HydrophobicContact CE2-CB 4.21Å; F171-P330 HydrophobicContact CE2-CG 4.19Å; F171-P330 HydrophobicContact CZ-CG 4.18Å
172L97.3Very high93.6Very high1 Ų151.4 Ų51.41%0.00528%0.282CS..Hα-helixtrans-63.8-43.2173.9-66-178.8000111.8L125 V140 V163 M168 L169 Q174 L175 R176 V177 W179L125-L172 HydrophobicContact CD2-CD1 3.94Å; L125-L172 HydrophobicContact CD2-CD2 4Å; L125-L172 HydrophobicContact CD2-CG 4.47Å; V140-L172 HydrophobicContact CG1-CD2 3.71Å; V163-L172 HydrophobicContact CG2-CD1 3.94Å; M168-L172 HydrophobicContact CG-CD1 4.33Å; M168-L172 HydrophobicContact CG-CG 4.38Å; M168-L172 WeakPolarHBondContact O-CG 3.46Å; M168-L172 PolarHBondContact O-N 2.78Å; M168-L172 HydrophobicContact SD-CD2 4.43Å; M168-L172 HydrophobicContact SD-CG 4.32Å; L169-L172 PolarHBondContact O-N 2.97Å; L172-Q174 VanDerWaalsContact C-N 3.31Å; L172-Q174 PolarHBondContact O-N 3.47Å; L172-L175 CarbonylContact O-C 3.55Å; L172-L175 WeakPolarHBondContact O-CA 3.46Å; L172-L175 PolarHBondContact O-N 3.47Å; L172-L175 VanDerWaalsContact O-N 3.08Å; L172-R176 PolarHBondContact O-N 2.9Å; L172-V177 HydrophobicContact CB-CB 4.1Å; L172-V177 HydrophobicContact CB-CG1 4.27Å; L172-V177 HydrophobicContact CD2-CB 4.22Å; L172-V177 HydrophobicContact CD2-CG1 4.03Å; L172-V177 HydrophobicContact CG-CG1 4.5Å; L172-V177 PolarHBondContact O-N 3.21Å; L172-W179 HydrophobicContact CD1-CB 3.8Å; L172-W179 HydrophobicContact CD1-CG 4.15Å
173Q96.1Very high92.4Very high105 Ų10555.4 Ų55.449%0.49131%0.309SS..Hα-helixtrans-61.1-40174.9-72.5171-8.300111.9L169 T170 L175 R176L169-Q173 VanDerWaalsContact O-CG 3.31Å; L169-Q173 WeakPolarHBondContact O-CG 3.19Å; L169-Q173 PolarHBondContact O-N 3.43Å; T170-Q173 PolarHBondContact O-N 2.84Å; Q173-L175 VanDerWaalsContact C-N 3.29Å; Q173-L175 PolarHBondContact O-N 3.2Å; Q173-R176 WeakPolarHBondContact O-CA 3.3Å; Q173-R176 PolarHBondContact O-N 3.32Å; Q173-R176 PolarHBondContact O-NH1 2.55Å
174Q95.4Very high91Very high82 Ų8263.5 Ų63.538%0.38335%0.346SS..Hα-helixtrans-61.7-38.1173.5-175.6174.637.800111.6T170 F171 L172 R176 Y333 V367T170-Q174 WeakPolarHBondContact O-CB 3.45Å; T170-Q174 PolarHBondContact O-N 3.49Å; F171-Q174 WeakPolarHBondContact O-CB 3.07Å; F171-Q174 PolarHBondContact O-N 3.12Å; L172-Q174 VanDerWaalsContact C-N 3.31Å; L172-Q174 PolarHBondContact O-N 3.47Å; Q174-R176 PolarHBondContact O-N 3.27Å; Q174-Y333 VanDerWaalsContact CD-CE1 3.45Å; Q174-Y333 VanDerWaalsContact CD-CZ 3.48Å; Q174-Y333 HydrophobicContact CG-CD2 4.38Å; Q174-Y333 HydrophobicContact CG-CE1 4.04Å; Q174-Y333 HydrophobicContact CG-CE2 3.69Å; Q174-Y333 VanDerWaalsContact CG-CZ 3.5Å; Q174-Y333 VanDerWaalsContact NE2-CZ 3.29Å; Q174-Y333 PolarHBondContact NE2-OH 2.89Å; Q174-V367 WeakPolarHBondContact O-CG2 3.41Å
175L97.1Very high89.8Confident1 Ų168.9 Ų68.91%0.00536%0.363CS..THydrogen-bonded Turntrans-78.42.3172.8-69.9172.4000114L137 F171 L172 Q173 V177 Y333 V367 I370 K371L137-L175 HydrophobicContact CD1-CD1 3.55Å; F171-L175 HydrophobicContact CD1-CD1 4.06Å; F171-L175 HydrophobicContact CE1-CD1 3.51Å; F171-L175 HydrophobicContact CE1-CG 4.48Å; F171-L175 HydrophobicContact CE2-CD1 4.14Å; F171-L175 HydrophobicContact CE2-CG 4.31Å; F171-L175 HydrophobicContact CZ-CD1 3.55Å; F171-L175 HydrophobicContact CZ-CG 4.18Å; F171-L175 WeakPolarHBondContact O-CG 3.32Å; F171-L175 PolarHBondContact O-N 2.89Å; L172-L175 CarbonylContact O-C 3.55Å; L172-L175 WeakPolarHBondContact O-CA 3.46Å; L172-L175 PolarHBondContact O-N 3.47Å; L172-L175 VanDerWaalsContact O-N 3.08Å; Q173-L175 VanDerWaalsContact C-N 3.29Å; Q173-L175 PolarHBondContact O-N 3.2Å; L175-V177 HydrophobicContact CB-CG2 4.04Å; L175-V177 PolarHBondContact O-N 3.29Å; L175-Y333 HydrophobicContact CD2-CD2 3.89Å; L175-V367 WeakPolarHBondContact O-CG1 3.22Å; L175-I370 HydrophobicContact CD2-CD1 4.19Å; L175-I370 HydrophobicContact CD2-CG2 4.46Å; L175-K371 WeakPolarHBondContact O-CE 3.36Å; L175-K371 PolarHBondContact O-NZ 3.36Å
176R97.3Very high89Confident87 Ų8767.9 Ų67.933%0.32836%0.362SS..THydrogen-bonded Turntrans52.441-173.5-51.5-66.5-177.1-145.43.3112R148 L172 Q173 Q174 E360 V367 K371 G536R148-R176 PolarHBondContact NH2-O 3.03Å; L172-R176 PolarHBondContact O-N 2.9Å; Q173-R176 WeakPolarHBondContact O-CA 3.3Å; Q173-R176 PolarHBondContact O-N 3.32Å; Q173-R176 PolarHBondContact O-NH1 2.55Å; Q174-R176 PolarHBondContact O-N 3.27Å; R176-E360 IonicContact CZ-OE1 3.29Å; R176-E360 IonicContact NH2-OE1 3.2Å; R176-E360 PolarHBondContact NH2-OE1 3.12Å; R176-E360 IonicContact NH2-OE2 3.03Å; R176-E360 PolarHBondContact NH2-OE2 3.13Å; R176-V367 HydrophobicContact CB-CG1 4.36Å; R176-V367 HydrophobicContact CG-CG1 4.24Å; R176-K371 PolarHBondContact O-NZ 3.04Å; R176-G536 WeakPolarHBondContact CB-O 3.34Å
177V97.5Very high88.2Confident9 Ų967.9 Ų67.96%0.05536%0.363CS..  trans-94.7128.9172167.50000107.8V140 L141 D144 L172 L175 W179V140-V177 HydrophobicContact CG1-CG1 4.23Å; L141-V177 HydrophobicContact CD2-CG2 3.75Å; D144-V177 HydrophobicContact CB-CG1 3.89Å; D144-V177 HydrophobicContact CB-CG2 4.38Å; L172-V177 HydrophobicContact CB-CB 4.1Å; L172-V177 HydrophobicContact CB-CG1 4.27Å; L172-V177 HydrophobicContact CD2-CB 4.22Å; L172-V177 HydrophobicContact CD2-CG1 4.03Å; L172-V177 HydrophobicContact CG-CG1 4.5Å; L172-V177 PolarHBondContact O-N 3.21Å; L175-V177 HydrophobicContact CB-CG2 4.04Å; L175-V177 PolarHBondContact O-N 3.29Å; V177-W179 HydrophobicContact CG1-CB 4.23Å; V177-W179 HydrophobicContact CG1-CE3 4.34Å
178D93.7Very high87.3Confident95 Ų9562.4 Ų62.451%0.50834%0.341SS..  trans-97.1106.1179177.829.8000108.7D144 R151 L159D144-D178 PolarHBondContact OD1-N 2.95Å; R151-D178 IonicContact NH1-OD2 3.69Å; L159-D178 WeakPolarHBondContact CD1-O 3.27Å
179W95.2Very high86.4Confident13 Ų1368.6 Ų68.65%0.04937%0.37CS..  trans-140140.8-173.2-154.3-85.3000111.5C122 L125 A143 L159 P161 V163 L172 V177C122-W179 HydrophobicContact CB-CH2 3.63Å; C122-W179 HydrophobicContact CB-CZ2 3.89Å; L125-W179 HydrophobicContact CD1-CD2 3.44Å; L125-W179 VanDerWaalsContact CD1-CD2 3.44Å; L125-W179 HydrophobicContact CD1-CE3 4.06Å; L125-W179 HydrophobicContact CD1-CG 3.87Å; L125-W179 HydrophobicContact CD1-CH2 3.99Å; L125-W179 HydrophobicContact CD1-CZ2 3.36Å; L125-W179 HydrophobicContact CD1-CZ3 4.3Å; A143-W179 HydrophobicContact CB-CH2 3.96Å; A143-W179 HydrophobicContact CB-CZ3 3.86Å; L159-W179 HydrophobicContact CB-CD2 4.28Å; L159-W179 HydrophobicContact CB-CE3 4.5Å; L159-W179 HydrophobicContact CB-CH2 4.09Å; L159-W179 HydrophobicContact CB-CZ2 3.81Å; L159-W179 HydrophobicContact CB-CZ3 4.41Å; L159-W179 HydrophobicContact CD1-CD2 4.04Å; L159-W179 HydrophobicContact CD1-CE3 3.75Å; L159-W179 HydrophobicContact CD1-CZ3 4.01Å; L159-W179 HydrophobicContact CD2-CE3 4.35Å; L159-W179 HydrophobicContact CD2-CH2 3.74Å; L159-W179 HydrophobicContact CD2-CZ2 4.34Å; L159-W179 HydrophobicContact CD2-CZ3 3.74Å; L159-W179 HydrophobicContact CG-CE3 4.41Å; L159-W179 HydrophobicContact CG-CH2 4.32Å; L159-W179 HydrophobicContact CG-CZ3 4.26Å; P161-W179 PolarHBondContact O-NE1 3.15Å; V163-W179 HydrophobicContact CG2-CG 4.45Å; L172-W179 HydrophobicContact CD1-CB 3.8Å; L172-W179 HydrophobicContact CD1-CG 4.15Å; V177-W179 HydrophobicContact CG1-CB 4.23Å; V177-W179 HydrophobicContact CG1-CE3 4.34Å
180P93.3Very high85.7Confident48 Ų4869.4 Ų69.431%0.31238%0.378SS..PPolyproline II helixtrans-65.5139.7-178.124.9-36.2000113L159 A162 V163L159-P180 HydrophobicContact CB-CG 3.86Å; A162-P180 WeakPolarHBondContact CA-O 3.06Å; A162-P180 HydrophobicContact CB-CB 4.41Å; V163-P180 PolarHBondContact N-O 2.91Å
181A90.3Very high84.9Confident61 Ų6165.7 Ų65.750%0.50436%0.355SS..BIsolated β-bridgetrans-87.5146.5165.100000110.3L169L169-A181 HydrophobicContact CD2-CB 4Å
182A82.8Confident84.2Confident38 Ų3870.1 Ų70.131%0.31437%0.372SS..PPolyproline II helixtrans-78.3133.9176.700000111.1A162 V163 Q164A162-A182 HydrophobicContact CB-CB 3.85Å; V163-A182 PolarHBondContact O-N 2.79Å; Q164-A182 HydrophobicContact CB-CB 4.5Å; Q164-A182 HydrophobicContact CG-CB 3.57Å
183S65.5Low83.4Confident119 Ų11972.4 Ų72.483%0.83239%0.388SS*.SBendtrans-99.1-41.3170.1-170.80000111.8
184E62.5Low82.7Confident176 Ų17672 Ų7282%0.82239%0.386SS*.SBendtrans-142.3153.1179.5-67.9-174.5170.300110.3
185R63.2Low81.9Confident198 Ų19868.1 Ų68.175%0.74737%0.368SS*.PPolyproline II helixtrans-85.5134.5178.2-76.7-175.3178.4169.90.8110.6
186A73.4Confident81.2Confident31 Ų3171 Ų7126%0.25638%0.383SS..PPolyproline II helixtrans-60.7135.9168.900000110.5A249 E250 E253A186-A249 HydrophobicContact CB-CB 4.09Å; A186-E250 HydrophobicContact CB-CB 4.42Å; A186-E250 HydrophobicContact CB-CG 3.85Å; A186-E253 HydrophobicContact CB-CB 4.21Å; A186-E253 HydrophobicContact CB-CG 3.66Å
187S75.6Confident80.4Confident86 Ų8672.9 Ų72.960%0.60140%0.395SS*.PPolyproline II helixtrans-77.4125.9176.7-179.90000110.5
188S75.2Confident79.6Confident23 Ų2376 Ų7616%0.16141%0.409CS..  trans-95.55.9176590000113.6S190 L191 R192S188-S190 PolarHBondContact O-N 3.4Å; S188-L191 PolarHBondContact O-N 3.24Å; S188-R192 WeakPolarHBondContact O-CB 3.36Å; S188-R192 PolarHBondContact O-N 3.06Å
189H75.9Confident78.8Confident132 Ų13272.6 Ų72.661%0.61139%0.392SS*.Hα-helixtrans-61.7-41.7-169.4-172.7-81.6000113.8R192 S193H189-R192 PolarHBondContact O-N 3.33Å; H189-S193 PolarHBondContact O-N 2.98Å; H189-S193 PolarHBondContact O-OG 3.04Å
190S79.1Confident77.5Confident58 Ų5877.1 Ų77.141%0.40642%0.416SS..Hα-helixtrans-65.8-49.1177.251.20000111.3S188 R192 S193 H194S188-S190 PolarHBondContact O-N 3.4Å; S190-R192 VanDerWaalsContact C-N 3.28Å; S190-R192 PolarHBondContact O-N 3.36Å; S190-S193 PolarHBondContact O-N 3.31Å; S190-S193 VanDerWaalsContact O-N 3.14Å; S190-H194 PolarHBondContact O-CD2 2.71Å; S190-H194 VanDerWaalsContact O-CD2 3.23Å; S190-H194 PolarHBondContact O-N 3.34Å
191L80.2Confident76Confident4 Ų479.1 Ų79.12%0.02143%0.431CS..Hα-helixtrans-58.5-39.4175.7-75.6170.1000112.3S188 A195 L245 L248 A249 L301 V302S188-L191 PolarHBondContact O-N 3.24Å; L191-A195 WeakPolarHBondContact O-CB 3.48Å; L191-A195 PolarHBondContact O-N 3.04Å; L191-L245 HydrophobicContact CB-CD2 4.48Å; L191-L248 HydrophobicContact CD1-CB 3.84Å; L191-A249 HydrophobicContact CD1-CB 3.82Å; L191-A249 VanDerWaalsContact CD1-N 3.32Å; L191-L301 HydrophobicContact CD2-CB 4.42Å; L191-V302 HydrophobicContact CD2-CG2 3.58Å
192R81.4Confident74.5Confident106 Ų10678.8 Ų78.840%0.443%0.428SS..Hα-helixtrans-64.3-41.8176-179.4175.9174.3151.2-0.2112.2S188 H189 S190 A195 L196 L213 E242 L245S188-R192 WeakPolarHBondContact O-CB 3.36Å; S188-R192 PolarHBondContact O-N 3.06Å; H189-R192 PolarHBondContact O-N 3.33Å; S190-R192 VanDerWaalsContact C-N 3.28Å; S190-R192 PolarHBondContact O-N 3.36Å; R192-A195 PolarHBondContact O-N 3.47Å; R192-L196 HydrophobicContact CG-CD1 4.2Å; R192-L196 WeakPolarHBondContact O-CB 3.35Å; R192-L196 VanDerWaalsContact O-CG 3.3Å; R192-L196 WeakPolarHBondContact O-CG 3.47Å; R192-L196 PolarHBondContact O-N 2.74Å; R192-L213 HydrophobicContact CG-CD1 4.12Å; R192-L213 HydrophobicContact CG-CD2 4.48Å; R192-E242 WeakPolarHBondContact CD-OE1 3.47Å; R192-E242 IonicContact CZ-OE1 3.34Å; R192-E242 IonicContact NE-OE1 3.72Å; R192-E242 PolarHBondContact NE-OE1 3.37Å; R192-E242 IonicContact NH1-OE1 3.05Å; R192-E242 PolarHBondContact NH1-OE1 3.2Å; R192-E242 IonicContact NH1-OE2 2.98Å; R192-E242 PolarHBondContact NH1-OE2 3.47Å; R192-E242 IonicContact NH2-OE1 3.88Å; R192-L245 HydrophobicContact CB-CD1 3.98Å; R192-L245 HydrophobicContact CG-CD1 4.45Å
193S81.2Confident73.2Confident48 Ų4883.8 Ų83.834%0.33645%0.445SS..Hα-helixtrans-63.3-48.7178.2-54.80000110.6H189 S190 L196 E197H189-S193 PolarHBondContact O-N 2.98Å; H189-S193 PolarHBondContact O-OG 3.04Å; S190-S193 PolarHBondContact O-N 3.31Å; S190-S193 VanDerWaalsContact O-N 3.14Å; S193-L196 PolarHBondContact O-N 3.17Å; S193-E197 PolarHBondContact O-N 2.87Å; S193-E197 VanDerWaalsContact O-N 3.08Å
194H80.1Confident72.6Confident97 Ų9785.1 Ų85.145%0.44944%0.442SS..Hα-helixtrans-63.1-42.6175.8-73.8-61.7000113.2S190 L196 E197 E198S190-H194 PolarHBondContact O-CD2 2.71Å; S190-H194 VanDerWaalsContact O-CD2 3.23Å; S190-H194 PolarHBondContact O-N 3.34Å; H194-L196 VanDerWaalsContact C-N 3.26Å; H194-L196 PolarHBondContact O-N 2.74Å; H194-E197 IonicContact ND1-OE2 3.38Å; H194-E197 PolarHBondContact O-N 3.32Å; H194-E198 PolarHBondContact O-N 3.31Å
195A80.3Confident72.2Confident0 Ų080.7 Ų80.70%045%0.445CS..Hα-helixtrans-61.3-36.7176.700000112.1L191 R192 V199 V240 L245 L301L191-A195 WeakPolarHBondContact O-CB 3.48Å; L191-A195 PolarHBondContact O-N 3.04Å; R192-A195 PolarHBondContact O-N 3.47Å; A195-V199 WeakPolarHBondContact O-CB 3.37Å; A195-V199 WeakPolarHBondContact O-CG2 3.47Å; A195-V199 PolarHBondContact O-N 3.21Å; A195-V240 HydrophobicContact CB-CG1 4.17Å; A195-L245 HydrophobicContact CB-CD1 4Å; A195-L245 HydrophobicContact CB-CD2 4.16Å; A195-L301 HydrophobicContact CB-CD1 4.08Å; A195-L301 HydrophobicContact CB-CD2 4.12Å
196L81.4Confident71.9Confident63 Ų6381.6 Ų81.633%0.3345%0.448SS..Hα-helixtrans-68.3-42175.4-75.7169000112R192 S193 H194 V199 I200 L213R192-L196 HydrophobicContact CG-CD1 4.2Å; R192-L196 WeakPolarHBondContact O-CB 3.35Å; R192-L196 VanDerWaalsContact O-CG 3.3Å; R192-L196 WeakPolarHBondContact O-CG 3.47Å; R192-L196 PolarHBondContact O-N 2.74Å; S193-L196 PolarHBondContact O-N 3.17Å; H194-L196 VanDerWaalsContact C-N 3.26Å; H194-L196 PolarHBondContact O-N 2.74Å; L196-V199 PolarHBondContact O-N 3.45Å; L196-I200 WeakPolarHBondContact O-CB 3.38Å; L196-I200 WeakPolarHBondContact O-CD1 3.46Å; L196-I200 WeakPolarHBondContact O-CG1 3.25Å; L196-I200 PolarHBondContact O-N 2.98Å; L196-L213 HydrophobicContact CD2-CD2 4.02Å; L196-L213 HydrophobicContact CG-CD2 4.42Å
197E81.6Confident71.1Confident125 Ų12587.1 Ų87.158%0.58448%0.479SS*.Hα-helixtrans-58.7-47.9175.2-71.1174.317100111.6S193 H194 V199 I200 S201S193-E197 PolarHBondContact O-N 2.87Å; S193-E197 VanDerWaalsContact O-N 3.08Å; H194-E197 IonicContact ND1-OE2 3.38Å; H194-E197 PolarHBondContact O-N 3.32Å; E197-V199 PolarHBondContact O-N 3.49Å; E197-I200 PolarHBondContact O-N 3.44Å; E197-S201 PolarHBondContact O-N 3.46Å
198E80.6Confident70.5Confident75 Ų7587.4 Ų87.435%0.3547%0.473SS..Hα-helixtrans-65.7-33.3177.1-79.3-68.5129.500113.3H194 S201 L216 K300 L301H194-E198 PolarHBondContact O-N 3.31Å; E198-S201 PolarHBondContact O-OG 2.89Å; E198-L216 HydrophobicContact CB-CD1 4.46Å; E198-L216 HydrophobicContact CB-CD2 3.74Å; E198-K300 VanDerWaalsContact OE2-CE 3.28Å; E198-K300 WeakPolarHBondContact OE2-CE 3.01Å; E198-L301 HydrophobicContact CB-CD2 4.46Å; E198-L301 HydrophobicContact CG-CD2 4.27Å
199V76.8Confident70.3Confident23 Ų2389.9 Ų89.914%0.13949%0.49CS..Hα-helixtrans-73.2-39.5175.7164.20000111A195 L196 E197 S201 A202 L216A195-V199 WeakPolarHBondContact O-CB 3.37Å; A195-V199 WeakPolarHBondContact O-CG2 3.47Å; A195-V199 PolarHBondContact O-N 3.21Å; L196-V199 PolarHBondContact O-N 3.45Å; E197-V199 PolarHBondContact O-N 3.49Å; V199-S201 VanDerWaalsContact C-N 3.31Å; V199-S201 PolarHBondContact O-N 3.3Å; V199-A202 PolarHBondContact O-N 3.42Å; V199-L216 HydrophobicContact CB-CD2 4.46Å; V199-L216 HydrophobicContact CG2-CD2 3.69Å; V199-L216 HydrophobicContact CG2-CG 3.99Å
200I67.1Low69.9Low109 Ų10990.1 Ų90.156%0.55950%0.503SS*.Hα-helixtrans-64.5-38.5-178.8-72.1163000110.7L196 E197 A202 H203L196-I200 WeakPolarHBondContact O-CB 3.38Å; L196-I200 WeakPolarHBondContact O-CD1 3.46Å; L196-I200 WeakPolarHBondContact O-CG1 3.25Å; L196-I200 PolarHBondContact O-N 2.98Å; E197-I200 PolarHBondContact O-N 3.44Å; I200-A202 PolarHBondContact O-N 2.89Å; I200-H203 PolarHBondContact O-ND1 3.32Å; I200-H203 VanDerWaalsContact O-ND1 3.1Å
201S61.2Low69.6Low90 Ų9089.6 Ų89.663%0.62951%0.507SS*.Hα-helixtrans-66.6-23.6176.867.40000113.4E197 E198 V199E197-S201 PolarHBondContact O-N 3.46Å; E198-S201 PolarHBondContact O-OG 2.89Å; V199-S201 VanDerWaalsContact C-N 3.31Å; V199-S201 PolarHBondContact O-N 3.3Å
202A58.9Low69.7Low54 Ų5491.7 Ų91.745%0.44652%0.518SS..THydrogen-bonded Turntrans-97.316.6-175.100000115.2V199 I200 D204V199-A202 PolarHBondContact O-N 3.42Å; I200-A202 PolarHBondContact O-N 2.89Å; A202-D204 PolarHBondContact O-N 2.97Å
203H56.7Low69.8Low143 Ų14387.6 Ų87.666%0.66250%0.504SS*.  trans-29.9116.9-166.4-120.869.4000118.1I200I200-H203 PolarHBondContact O-ND1 3.32Å; I200-H203 VanDerWaalsContact O-ND1 3.1Å
204D51.8Low69.9Low146 Ų14685.4 Ų85.478%0.78149%0.489SS*.  trans-126.4106.4155.3-102-20.6000106.9A202 R206A202-D204 PolarHBondContact O-N 2.97Å; D204-R206 PolarHBondContact O-N 2.85Å
205G54.8Low70.1Confident84 Ų8486.9 Ų86.987%0.86649%0.491SS*.  trans-6755.7-16900000116.2
206R56.2Low70.5Confident217 Ų21787 Ų8782%0.81949%0.491SS*.  trans-111.1135-175.2-144.9172.7-177.4175.7-0.2111.1D204 L208D204-R206 PolarHBondContact O-N 2.85Å; R206-L208 PolarHBondContact O-N 3.34Å
207T56.2Low70.8Confident147 Ų14786.4 Ų86.490%0.90249%0.491SS*.PPolyproline II helixtrans-60.4116.6174.212.10000110.6
208L64.4Low71.1Confident92 Ų9280.4 Ų80.448%0.48246%0.464SS..PPolyproline II helixtrans-86.6147.8-179.6-64.7169.5000111.2R206 I212 L213R206-L208 PolarHBondContact O-N 3.34Å; L208-I212 HydrophobicContact CD2-CG2 4.04Å; L208-L213 WeakPolarHBondContact CD1-O 3.3Å
209S70.4Confident71.3Confident74 Ų7481.7 Ų81.752%0.51747%0.468SS..PPolyproline II helixtrans-69.9153.8172.3-530000111.2G211 I212S209-G211 PolarHBondContact O-N 3.12Å; S209-I212 PolarHBondContact O-N 3.28Å
210P67.8Low71.6Confident137 Ų13786.5 Ų86.589%0.8949%0.489SS*.THydrogen-bonded Turntrans-54.2130176.9-22.632.1000111.7
211G72.6Confident72.4Confident47 Ų4782.8 Ų82.849%0.48547%0.47SS..THydrogen-bonded Turntrans91.5-5179.900000115.9S209 T241 E242S209-G211 PolarHBondContact O-N 3.12Å; G211-T241 WeakPolarHBondContact O-CA 3.2Å; G211-E242 PolarHBondContact O-N 3.35Å
212I83.1Confident73.5Confident48 Ų4878.9 Ų78.925%0.24644%0.443CS..EExtended strand (participates in β ladder)trans-99.5124172.2-55.8177.8000108.7L208 S209 T241L208-I212 HydrophobicContact CD2-CG2 4.04Å; S209-I212 PolarHBondContact O-N 3.28Å; I212-T241 HydrophobicContact CG1-CG2 4.38Å
213L81.8Confident74.6Confident21 Ų2181.1 Ų81.111%0.1144%0.444CS..EExtended strand (participates in β ladder)trans-84.7-34178.6-69.1171.3000112.3R192 L196 L208 V240 E242 L245R192-L213 HydrophobicContact CG-CD1 4.12Å; R192-L213 HydrophobicContact CG-CD2 4.48Å; L196-L213 HydrophobicContact CD2-CD2 4.02Å; L196-L213 HydrophobicContact CG-CD2 4.42Å; L208-L213 WeakPolarHBondContact CD1-O 3.3Å; L213-V240 HydrophobicContact CB-CB 4.44Å; L213-V240 HydrophobicContact CB-CG1 4.38Å; L213-V240 HydrophobicContact CD1-CG1 4.25Å; L213-V240 PolarHBondContact N-O 3.46Å; L213-E242 WeakPolarHBondContact CD2-OE1 3.4Å; L213-L245 HydrophobicContact CD1-CD1 3.26Å; L213-L245 HydrophobicContact CD1-CG 4.26Å
214G83.9Confident75.6Confident2 Ų281 Ų812%0.02144%0.443CS..EExtended strand (participates in β ladder)trans165.4-169.717700000113.9V240G214-V240 PolarHBondContact O-N 3.35Å
215R85.5Confident76.3Confident128 Ų12878.6 Ų78.648%0.48343%0.427SS..EExtended strand (participates in β ladder)trans-115.2130.4175.5179.2-178-68.9-97.9-3.1108.9N237 C238 L239R215-N237 HydrophobicContact CG-CB 4.06Å; R215-C238 WeakPolarHBondContact CA-O 3.41Å; R215-L239 HydrophobicContact CB-CD2 4.2Å
216L87.7Confident76.8Confident1 Ų174.6 Ų74.61%0.00539%0.387CS..EExtended strand (participates in β ladder)trans-112.1134.9173.1-68178.4000110.7E198 V199 N237 C238 V240 L297 K300 L301E198-L216 HydrophobicContact CB-CD1 4.46Å; E198-L216 HydrophobicContact CB-CD2 3.74Å; V199-L216 HydrophobicContact CB-CD2 4.46Å; V199-L216 HydrophobicContact CG2-CD2 3.69Å; V199-L216 HydrophobicContact CG2-CG 3.99Å; L216-N237 WeakPolarHBondContact O-CA 3.39Å; L216-C238 PolarHBondContact N-O 3.26Å; L216-C238 PolarHBondContact O-N 3.37Å; L216-V240 HydrophobicContact CB-CG2 4.33Å; L216-V240 HydrophobicContact CD1-CG2 3.55Å; L216-V240 HydrophobicContact CG-CG2 3.72Å; L216-L297 HydrophobicContact CD1-CD1 3.67Å; L216-K300 HydrophobicContact CB-CD 4.41Å; L216-K300 HydrophobicContact CD1-CD 4.37Å; L216-L301 HydrophobicContact CD1-CD2 3.99Å
217C87Confident77.2Confident51 Ų5173.3 Ų73.335%0.34538%0.382SS..EExtended strand (participates in β ladder)trans-75.6125.7171.6-174.90000109.6K300C217-K300 PolarHBondContact O-NZ 3.49Å
218L87.7Confident77.7Confident0 Ų072.3 Ų72.30%038%0.375CS..  trans-106.7-5.5177-62.4-175.9000112.6E220 L221 V222 L235 D236 C238 L296 K300L218-E220 VanDerWaalsContact C-N 3.33Å; L218-E220 PolarHBondContact O-N 3.48Å; L218-L221 HydrophobicContact CD2-CD1 4.39Å; L218-L221 WeakPolarHBondContact O-CB 3.45Å; L218-L221 PolarHBondContact O-N 3.03Å; L218-L221 VanDerWaalsContact O-N 3.09Å; L218-V222 WeakPolarHBondContact O-CG2 3.49Å; L218-V222 PolarHBondContact O-N 3.13Å; L218-V222 VanDerWaalsContact O-N 3.09Å; L218-L235 WeakPolarHBondContact CB-O 3.46Å; L218-D236 PolarHBondContact N-O 3.3Å; L218-C238 HydrophobicContact CD1-CB 3.68Å; L218-C238 HydrophobicContact CD2-CB 4.49Å; L218-C238 HydrophobicContact CG-CB 4.07Å; L218-L296 HydrophobicContact CB-CD1 4.44Å; L218-L296 HydrophobicContact CD1-CB 3.86Å; L218-L296 HydrophobicContact CD1-CD1 4.08Å; L218-L296 HydrophobicContact CD2-CB 4.12Å; L218-L296 HydrophobicContact CG-CB 4.46Å; L218-K300 HydrophobicContact CD2-CD 4.26Å
219K85.4Confident78.3Confident101 Ų10169 Ų6944%0.43936%0.361SS..Hα-helixtrans-55.6-43.3-171.5-170.9175.7176-178.80113.5L221 V222 E223 D236K219-L221 PolarHBondContact O-N 3.14Å; K219-V222 PolarHBondContact O-N 2.93Å; K219-E223 WeakPolarHBondContact CE-OE1 3.31Å; K219-E223 HydrophobicContact CG-CG 4.43Å; K219-E223 WeakPolarHBondContact O-CG 3.42Å; K219-E223 PolarHBondContact O-N 3.25Å; K219-D236 PolarHBondContact N-O 3.1Å
220E83.5Confident78.9Confident124 Ų12467.3 Ų67.358%0.57936%0.356SS*.Hα-helixtrans-58.6-46.3177.8-67168.617800111.4L218 V222 E223 E224L218-E220 VanDerWaalsContact C-N 3.33Å; L218-E220 PolarHBondContact O-N 3.48Å; E220-V222 VanDerWaalsContact C-N 3.32Å; E220-V222 PolarHBondContact O-N 2.93Å; E220-E223 PolarHBondContact O-N 3.04Å; E220-E224 WeakPolarHBondContact O-CB 3.48Å; E220-E224 WeakPolarHBondContact O-CG 3.5Å; E220-E224 PolarHBondContact O-N 3.03Å
221L82.9Confident79.8Confident31 Ų3161.6 Ų61.616%0.16232%0.317CS..Hα-helixtrans-64.6-36.2177.7-65.2171.1000112.4L218 K219 Q225 G226 L296 K300L218-L221 HydrophobicContact CD2-CD1 4.39Å; L218-L221 WeakPolarHBondContact O-CB 3.45Å; L218-L221 PolarHBondContact O-N 3.03Å; L218-L221 VanDerWaalsContact O-N 3.09Å; K219-L221 PolarHBondContact O-N 3.14Å; L221-Q225 PolarHBondContact O-N 3.01Å; L221-Q225 VanDerWaalsContact O-N 3.14Å; L221-G226 PolarHBondContact O-N 2.97Å; L221-G226 VanDerWaalsContact O-N 3.16Å; L221-L296 HydrophobicContact CB-CD2 4.22Å; L221-K300 HydrophobicContact CD1-CB 3.8Å; L221-K300 HydrophobicContact CD1-CD 4.45Å; L221-K300 HydrophobicContact CD1-CG 4.17Å
222V84.7Confident80.6Confident9 Ų962.3 Ų62.36%0.05531%0.309CS..Iπ-helixtrans-69.1-38.4176.7177.40000111.3L218 K219 E220 G226 R227 L235 L296L218-V222 WeakPolarHBondContact O-CG2 3.49Å; L218-V222 PolarHBondContact O-N 3.13Å; L218-V222 VanDerWaalsContact O-N 3.09Å; K219-V222 PolarHBondContact O-N 2.93Å; E220-V222 VanDerWaalsContact C-N 3.32Å; E220-V222 PolarHBondContact O-N 2.93Å; V222-G226 CarbonylContact O-C 3.59Å; V222-G226 WeakPolarHBondContact O-CA 3.45Å; V222-G226 PolarHBondContact O-N 2.88Å; V222-R227 PolarHBondContact O-N 3.36Å; V222-R227 VanDerWaalsContact O-N 3.17Å; V222-L235 HydrophobicContact CG2-CB 3.85Å; V222-L235 WeakPolarHBondContact CG2-O 3.39Å; V222-L296 HydrophobicContact CG2-CD1 3.65Å
223E83Confident80.7Confident101 Ų10164.3 Ų64.347%0.47233%0.328SS..Iπ-helixtrans-73.3-42.1179.3-73.1179.2171.500112.6K219 E220K219-E223 WeakPolarHBondContact CE-OE1 3.31Å; K219-E223 HydrophobicContact CG-CG 4.43Å; K219-E223 WeakPolarHBondContact O-CG 3.42Å; K219-E223 PolarHBondContact O-N 3.25Å; E220-E223 PolarHBondContact O-N 3.04Å
224E76.7Confident81Confident139 Ų13968.5 Ų68.565%0.6535%0.35SS*.Iπ-helixtrans-73.2-43.4-178.3-71.9178.8175.300113.4E220E220-E224 WeakPolarHBondContact O-CB 3.48Å; E220-E224 WeakPolarHBondContact O-CG 3.5Å; E220-E224 PolarHBondContact O-N 3.03Å
225Q67.6Low81.1Confident96 Ų9668.4 Ų68.445%0.44935%0.349SS..Iπ-helixtrans-129.4-23-170.6-60.7-177.34.100113.2L221 T228 A229L221-Q225 PolarHBondContact O-N 3.01Å; L221-Q225 VanDerWaalsContact O-N 3.14Å; Q225-T228 PolarHBondContact O-OG1 3.21Å; Q225-T228 VanDerWaalsContact O-OG1 3.13Å; Q225-A229 WeakPolarHBondContact O-CB 3.25Å; Q225-A229 PolarHBondContact O-N 2.96Å
226G65.6Low81.1Confident1 Ų165.6 Ų65.61%0.0134%0.344CS..Iπ-helixtrans-67.5-40.8-171.400000114.2L221 V222 T228 A229 G230 Y231L221-G226 PolarHBondContact O-N 2.97Å; L221-G226 VanDerWaalsContact O-N 3.16Å; V222-G226 CarbonylContact O-C 3.59Å; V222-G226 WeakPolarHBondContact O-CA 3.45Å; V222-G226 PolarHBondContact O-N 2.88Å; G226-T228 PolarHBondContact O-N 2.95Å; G226-A229 CarbonylContact O-C 3.6Å; G226-A229 PolarHBondContact O-N 3.1Å; G226-G230 PolarHBondContact O-N 3.14Å; G226-Y231 PolarHBondContact O-N 3.08Å
227R62.9Low81Confident190 Ų19068.3 Ų68.372%0.71736%0.358SS*.Hα-helixtrans-65.5-39.5-177.7-67.9-175.2-176.8175.55.3113.3V222V222-R227 PolarHBondContact O-N 3.36Å; V222-R227 VanDerWaalsContact O-N 3.17Å
228T67.3Low81.1Confident125 Ų12566 Ų6677%0.76734%0.343SS*.Hα-helixtrans-76.9-27.4177.847.20000112.4Q225 G226Q225-T228 PolarHBondContact O-OG1 3.21Å; Q225-T228 VanDerWaalsContact O-OG1 3.13Å; G226-T228 PolarHBondContact O-N 2.95Å
229A76.3Confident81.1Confident22 Ų2269.7 Ų69.718%0.18236%0.362CS..Hα-helixtrans-87.4-13.9177.200000113.6Q225 G226 Y231 G472 L473Q225-A229 WeakPolarHBondContact O-CB 3.25Å; Q225-A229 PolarHBondContact O-N 2.96Å; G226-A229 CarbonylContact O-C 3.6Å; G226-A229 PolarHBondContact O-N 3.1Å; A229-Y231 HydrophobicContact CB-CD2 3.74Å; A229-Y231 HydrophobicContact CB-CE2 3.55Å; A229-G472 CarbonylContact O-C 3.59Å; A229-G472 VanDerWaalsContact O-C 3.29Å; A229-G472 VanDerWaalsContact O-CA 3.24Å; A229-G472 WeakPolarHBondContact O-CA 3.3Å; A229-L473 VanDerWaalsContact O-CB 3.29Å; A229-L473 WeakPolarHBondContact O-CB 3.45Å; A229-L473 PolarHBondContact O-N 3.28Å
230G83.6Confident81.2Confident40 Ų4064.9 Ų64.941%0.41234%0.341SS..THydrogen-bonded Turntrans87.529.1176.100000114.8G226G226-G230 PolarHBondContact O-N 3.14Å
231Y88Confident81.5Confident17 Ų1760.6 Ų60.67%0.06732%0.324CS..  trans-71.1153.3170.5-71.2-95.9000111.5G226 A229 S233 L235 Q292 D295 L296 R299 L473G226-Y231 PolarHBondContact O-N 3.08Å; A229-Y231 HydrophobicContact CB-CD2 3.74Å; A229-Y231 HydrophobicContact CB-CE2 3.55Å; Y231-S233 PolarHBondContact O-N 3.23Å; Y231-L235 HydrophobicContact CD1-CD1 4.14Å; Y231-Q292 HydrophobicContact CD1-CB 4.08Å; Y231-Q292 HydrophobicContact CD1-CG 4.22Å; Y231-Q292 HydrophobicContact CE1-CB 4.46Å; Y231-D295 HydrophobicContact CE1-CB 4.43Å; Y231-D295 VanDerWaalsContact OH-CG 3.25Å; Y231-D295 PolarHBondContact OH-OD2 3.3Å; Y231-L296 HydrophobicContact CD1-CD1 4.09Å; Y231-L296 HydrophobicContact CD1-CD2 4.11Å; Y231-L296 HydrophobicContact CD1-CG 4.02Å; Y231-L296 HydrophobicContact CE1-CD1 4.5Å; Y231-L296 HydrophobicContact CE1-CD2 3.92Å; Y231-L296 HydrophobicContact CE1-CG 3.92Å; Y231-R299 PolarHBondContact OH-NH2 3.35Å; Y231-L473 HydrophobicContact CD1-CD2 4.2Å; Y231-L473 HydrophobicContact CE1-CD1 4.17Å; Y231-L473 HydrophobicContact CE1-CD2 4.14Å; Y231-L473 HydrophobicContact CE2-CD1 4.37Å
232D87.9Confident81.6Confident61 Ų6161.2 Ų61.233%0.32633%0.326SS..  trans-64131.3173.9-169.2-63.4000110.6N234 L235 F289D232-N234 PolarHBondContact O-N 3.47Å; D232-N234 VanDerWaalsContact OD1-CB 3.24Å; D232-N234 WeakPolarHBondContact OD1-CB 3.37Å; D232-N234 PolarHBondContact OD1-N 3Å; D232-N234 PolarHBondContact OD1-ND2 2.89Å; D232-L235 HydrophobicContact CB-CD1 4.03Å; D232-L235 HydrophobicContact CB-CG 4.11Å; D232-L235 WeakPolarHBondContact O-CB 3.18Å; D232-L235 WeakPolarHBondContact O-CD1 3.46Å; D232-L235 WeakPolarHBondContact O-CG 3.37Å; D232-L235 PolarHBondContact O-N 2.96Å; D232-F289 HydrophobicContact CB-CD2 4.27Å; D232-F289 HydrophobicContact CB-CE2 4.36Å
233S85.5Confident81.8Confident91 Ų9166.8 Ų66.864%0.63636%0.355SS*.THydrogen-bonded Turntrans-68.2-14.2-176.657.10000114Y231 L235Y231-S233 PolarHBondContact O-N 3.23Å; S233-L235 VanDerWaalsContact C-N 3.3Å
234N87.7Confident82Confident108 Ų10863.8 Ų63.858%0.57834%0.342SS*.THydrogen-bonded Turntrans-90.39.3-179.4-52-64.3000112.8D232 D236D232-N234 PolarHBondContact O-N 3.47Å; D232-N234 VanDerWaalsContact OD1-CB 3.24Å; D232-N234 WeakPolarHBondContact OD1-CB 3.37Å; D232-N234 PolarHBondContact OD1-N 3Å; D232-N234 PolarHBondContact OD1-ND2 2.89Å; N234-D236 PolarHBondContact O-N 3.42Å
235L86Confident82.6Confident0 Ų057.2 Ų57.20%031%0.311CS..  trans-79.757.2178.4-69.6169.3000112.2L218 V222 Y231 D232 S233 F289 Q292 K293 L296L218-L235 WeakPolarHBondContact CB-O 3.46Å; V222-L235 HydrophobicContact CG2-CB 3.85Å; V222-L235 WeakPolarHBondContact CG2-O 3.39Å; Y231-L235 HydrophobicContact CD1-CD1 4.14Å; D232-L235 HydrophobicContact CB-CD1 4.03Å; D232-L235 HydrophobicContact CB-CG 4.11Å; D232-L235 WeakPolarHBondContact O-CB 3.18Å; D232-L235 WeakPolarHBondContact O-CD1 3.46Å; D232-L235 WeakPolarHBondContact O-CG 3.37Å; D232-L235 PolarHBondContact O-N 2.96Å; S233-L235 VanDerWaalsContact C-N 3.3Å; L235-F289 HydrophobicContact CD2-CD2 3.96Å; L235-F289 HydrophobicContact CD2-CE1 4.45Å; L235-F289 HydrophobicContact CD2-CE2 3.55Å; L235-F289 HydrophobicContact CD2-CZ 3.83Å; L235-F289 HydrophobicContact CG-CE2 3.99Å; L235-Q292 HydrophobicContact CD1-CB 3.62Å; L235-Q292 HydrophobicContact CD1-CG 4.5Å; L235-Q292 VanDerWaalsContact CD1-OE1 3.25Å; L235-Q292 HydrophobicContact CD2-CB 4.4Å; L235-K293 HydrophobicContact CD2-CB 4.49Å; L235-K293 HydrophobicContact CD2-CD 4.23Å; L235-K293 HydrophobicContact CD2-CG 3.33Å; L235-L296 HydrophobicContact CB-CD1 4.05Å; L235-L296 HydrophobicContact CD1-CD1 3.88Å
236D85.3Confident83.6Confident70 Ų7054.4 Ų54.437%0.37430%0.302SS..  trans-77.9-35.6-176.5-66-33.9000112.8L218 K219 N234L218-D236 PolarHBondContact N-O 3.3Å; K219-D236 PolarHBondContact N-O 3.1Å; N234-D236 PolarHBondContact O-N 3.42Å
237N86.6Confident84.8Confident57 Ų5755 Ų5531%0.30531%0.306SS..EExtended strand (participates in β ladder)trans-143.8143.9-171-69-76000112.7R215 L216R215-N237 HydrophobicContact CG-CB 4.06Å; L216-N237 WeakPolarHBondContact O-CA 3.39Å
238C88.5Confident86.1Confident2 Ų246 Ų461%0.01427%0.272CS..EExtended strand (participates in β ladder)trans-118.1131.1171.4-163.30000110.8R215 L216 L218R215-C238 WeakPolarHBondContact CA-O 3.41Å; L216-C238 PolarHBondContact N-O 3.26Å; L216-C238 PolarHBondContact O-N 3.37Å; L218-C238 HydrophobicContact CD1-CB 3.68Å; L218-C238 HydrophobicContact CD2-CB 4.49Å; L218-C238 HydrophobicContact CG-CB 4.07Å
239L88.6Confident87.1Confident78 Ų7840.2 Ų40.241%0.40824%0.237SC..EExtended strand (participates in β ladder)trans-84.5114.5169-70.3174.8000107.3R215 L244R215-L239 HydrophobicContact CB-CD2 4.2Å; L239-L244 WeakPolarHBondContact O-CD1 3.41Å
240V88Confident87.7Confident0 Ų040.5 Ų40.50%023%0.234CC..EExtended strand (participates in β ladder)trans-82.6120.7-178.9-172.50000108.8A195 L213 G214 L216 L245 L297A195-V240 HydrophobicContact CB-CG1 4.17Å; L213-V240 HydrophobicContact CB-CB 4.44Å; L213-V240 HydrophobicContact CB-CG1 4.38Å; L213-V240 HydrophobicContact CD1-CG1 4.25Å; L213-V240 PolarHBondContact N-O 3.46Å; G214-V240 PolarHBondContact O-N 3.35Å; L216-V240 HydrophobicContact CB-CG2 4.33Å; L216-V240 HydrophobicContact CD1-CG2 3.55Å; L216-V240 HydrophobicContact CG-CG2 3.72Å; V240-L245 HydrophobicContact CG1-CD1 4.18Å; V240-L245 HydrophobicContact CG1-CD2 3.75Å; V240-L245 HydrophobicContact CG1-CG 3.86Å; V240-L297 HydrophobicContact CG2-CD1 3.97Å
241T88.9Confident88Confident35 Ų3538.6 Ų38.622%0.21522%0.215CC..EExtended strand (participates in β ladder)trans-118.3158.7176.965.60000110.4G211 I212 D243 L244 L245G211-T241 WeakPolarHBondContact O-CA 3.2Å; I212-T241 HydrophobicContact CG1-CG2 4.38Å; T241-D243 PolarHBondContact O-N 3.22Å; T241-L244 PolarHBondContact O-N 3.32Å; T241-L244 WeakPolarHBondContact OG1-CG 3.45Å; T241-L244 PolarHBondContact OG1-N 2.93Å; T241-L245 PolarHBondContact O-N 3.01Å; T241-L245 VanDerWaalsContact O-N 3.09Å
242E86Confident88Confident43 Ų4338.6 Ų38.620%0.20122%0.215CC..Hα-helixtrans-56.8-36.1173-68-65.4153.500112.2R192 G211 L213 L245 S246R192-E242 WeakPolarHBondContact CD-OE1 3.47Å; R192-E242 IonicContact CZ-OE1 3.34Å; R192-E242 IonicContact NE-OE1 3.72Å; R192-E242 PolarHBondContact NE-OE1 3.37Å; R192-E242 IonicContact NH1-OE1 3.05Å; R192-E242 PolarHBondContact NH1-OE1 3.2Å; R192-E242 IonicContact NH1-OE2 2.98Å; R192-E242 PolarHBondContact NH1-OE2 3.47Å; R192-E242 IonicContact NH2-OE1 3.88Å; G211-E242 PolarHBondContact O-N 3.35Å; L213-E242 WeakPolarHBondContact CD2-OE1 3.4Å; E242-L245 PolarHBondContact O-N 3.32Å; E242-S246 WeakPolarHBondContact O-CB 3.4Å; E242-S246 PolarHBondContact O-N 3.35Å; E242-S246 PolarHBondContact O-OG 2.93Å
243D87Confident88Confident127 Ų12738.9 Ų38.968%0.67922%0.215SC*.Hα-helixtrans-64.6-44.6177.9-66.8-28.5000111.6T241 S246 V247T241-D243 PolarHBondContact O-N 3.22Å; D243-S246 WeakPolarHBondContact O-CB 3.26Å; D243-S246 PolarHBondContact O-N 2.73Å; D243-V247 WeakPolarHBondContact O-CG2 3.29Å; D243-V247 PolarHBondContact O-N 3.26Å
244L88.4Confident88Confident38 Ų3834.8 Ų34.820%0.19919%0.186CC..Hα-helixtrans-62.6-43.8176.8-77.5167.9000111.4L239 T241 S246 V247 L248 L294 L297L239-L244 WeakPolarHBondContact O-CD1 3.41Å; T241-L244 PolarHBondContact O-N 3.32Å; T241-L244 WeakPolarHBondContact OG1-CG 3.45Å; T241-L244 PolarHBondContact OG1-N 2.93Å; L244-S246 VanDerWaalsContact C-N 3.31Å; L244-S246 PolarHBondContact O-N 2.9Å; L244-V247 WeakPolarHBondContact O-CB 3.29Å; L244-V247 PolarHBondContact O-N 3.34Å; L244-L248 WeakPolarHBondContact O-CG 3.36Å; L244-L248 PolarHBondContact O-N 3.01Å; L244-L294 HydrophobicContact CD2-CD1 3.86Å; L244-L297 HydrophobicContact CB-CD2 4.37Å
245L89.4Confident87.9Confident0 Ų030 Ų300%016%0.16CC..Hα-helixtrans-65.7-35176.3-65.3-170.4000112.4L191 R192 A195 L213 V240 T241 E242 V247 L248 A249 L301L191-L245 HydrophobicContact CB-CD2 4.48Å; R192-L245 HydrophobicContact CB-CD1 3.98Å; R192-L245 HydrophobicContact CG-CD1 4.45Å; A195-L245 HydrophobicContact CB-CD1 4Å; A195-L245 HydrophobicContact CB-CD2 4.16Å; L213-L245 HydrophobicContact CD1-CD1 3.26Å; L213-L245 HydrophobicContact CD1-CG 4.26Å; V240-L245 HydrophobicContact CG1-CD1 4.18Å; V240-L245 HydrophobicContact CG1-CD2 3.75Å; V240-L245 HydrophobicContact CG1-CG 3.86Å; T241-L245 PolarHBondContact O-N 3.01Å; T241-L245 VanDerWaalsContact O-N 3.09Å; E242-L245 PolarHBondContact O-N 3.32Å; L245-V247 VanDerWaalsContact C-N 3.32Å; L245-L248 HydrophobicContact CD2-CD1 4.43Å; L245-L248 PolarHBondContact O-N 3.04Å; L245-A249 WeakPolarHBondContact O-CB 3.45Å; L245-A249 PolarHBondContact O-N 2.78Å; L245-L301 HydrophobicContact CD2-CD1 3.66Å
246S88.3Confident87.7Confident37 Ų3734.9 Ų34.926%0.25918%0.179SC..Hα-helixtrans-64.7-38.6173.6-58.70000111.2E242 D243 L244 A249 E250E242-S246 WeakPolarHBondContact O-CB 3.4Å; E242-S246 PolarHBondContact O-N 3.35Å; E242-S246 PolarHBondContact O-OG 2.93Å; D243-S246 WeakPolarHBondContact O-CB 3.26Å; D243-S246 PolarHBondContact O-N 2.73Å; L244-S246 VanDerWaalsContact C-N 3.31Å; L244-S246 PolarHBondContact O-N 2.9Å; S246-A249 PolarHBondContact O-N 3.36Å; S246-E250 WeakPolarHBondContact O-CG 3.49Å; S246-E250 PolarHBondContact O-N 3.1Å
247V90.1Very high87.5Confident15 Ų1537 Ų379%0.09119%0.186CC..Hα-helixtrans-62.8-46.2173.8-173.90000111.2D243 L244 L245 E250 L251 L294D243-V247 WeakPolarHBondContact O-CG2 3.29Å; D243-V247 PolarHBondContact O-N 3.26Å; L244-V247 WeakPolarHBondContact O-CB 3.29Å; L244-V247 PolarHBondContact O-N 3.34Å; L245-V247 VanDerWaalsContact C-N 3.32Å; V247-E250 PolarHBondContact O-N 3.44Å; V247-L251 HydrophobicContact CG1-CD1 3.93Å; V247-L251 HydrophobicContact CG1-CG 4.49Å; V247-L251 WeakPolarHBondContact O-CB 3.32Å; V247-L251 WeakPolarHBondContact O-CG 3.11Å; V247-L251 PolarHBondContact O-N 3.2Å; V247-L294 HydrophobicContact CB-CD1 4.39Å; V247-L294 HydrophobicContact CB-CD2 4.46Å; V247-L294 HydrophobicContact CG1-CD1 4.43Å; V247-L294 HydrophobicContact CG1-CD2 3.67Å
248L90.4Very high87Confident0 Ų036 Ų360%018%0.178CC..Hα-helixtrans-63-42.2177.2-69.2-177.8000112L191 L244 L245 E250 L251 Q252 L294 L297 W298 L301L191-L248 HydrophobicContact CD1-CB 3.84Å; L244-L248 WeakPolarHBondContact O-CG 3.36Å; L244-L248 PolarHBondContact O-N 3.01Å; L245-L248 HydrophobicContact CD2-CD1 4.43Å; L245-L248 PolarHBondContact O-N 3.04Å; L248-E250 PolarHBondContact O-N 3.31Å; L248-L251 PolarHBondContact O-N 2.78Å; L248-Q252 WeakPolarHBondContact O-CB 3.31Å; L248-Q252 PolarHBondContact O-N 3.37Å; L248-L294 HydrophobicContact CD1-CD1 4.39Å; L248-L294 HydrophobicContact CD2-CD1 3.45Å; L248-L294 VanDerWaalsContact CD2-CD1 3.45Å; L248-L294 HydrophobicContact CD2-CG 3.88Å; L248-L294 HydrophobicContact CG-CD1 3.67Å; L248-L297 HydrophobicContact CD1-CD2 3.9Å; L248-L297 HydrophobicContact CD1-CG 3.9Å; L248-W298 HydrophobicContact CD2-CB 3.56Å; L248-W298 HydrophobicContact CD2-CD2 3.89Å; L248-W298 HydrophobicContact CD2-CE3 4.16Å; L248-W298 HydrophobicContact CD2-CG 3.64Å; L248-L301 HydrophobicContact CD1-CD1 4.22Å
249A88.9Confident86Confident3 Ų339.4 Ų39.43%0.02520%0.201CC..Hα-helixtrans-58.5-48.2176.700000111.2A186 L191 L245 S246 L251 Q252 E253A186-A249 HydrophobicContact CB-CB 4.09Å; L191-A249 HydrophobicContact CD1-CB 3.82Å; L191-A249 VanDerWaalsContact CD1-N 3.32Å; L245-A249 WeakPolarHBondContact O-CB 3.45Å; L245-A249 PolarHBondContact O-N 2.78Å; S246-A249 PolarHBondContact O-N 3.36Å; A249-L251 PolarHBondContact O-N 2.96Å; A249-Q252 PolarHBondContact O-N 3.02Å; A249-E253 WeakPolarHBondContact O-CB 3.17Å; A249-E253 WeakPolarHBondContact O-CG 3.31Å; A249-E253 PolarHBondContact O-N 3.28Å
250E89Confident84.3Confident29 Ų2945 Ų4514%0.13623%0.225CC..Hα-helixtrans-63.7-39.8177.9-74.8178.8-142.500112.6R126 P161 A186 S246 V247 L248 A254R126-E250 IonicContact CZ-OE1 2.72Å; R126-E250 IonicContact CZ-OE2 3.21Å; R126-E250 IonicContact NH1-OE1 3.66Å; R126-E250 PolarHBondContact NH1-OE1 3.28Å; R126-E250 IonicContact NH1-OE2 2.71Å; R126-E250 IonicContact NH2-OE1 3.88Å; R126-E250 PolarHBondContact NH2-OE1 3.12Å; R126-E250 IonicContact NH2-OE2 3.27Å; R126-E250 PolarHBondContact NH2-OE2 3.33Å; P161-E250 VanDerWaalsContact CB-OE2 3.26Å; P161-E250 WeakPolarHBondContact CB-OE2 3.3Å; A186-E250 HydrophobicContact CB-CB 4.42Å; A186-E250 HydrophobicContact CB-CG 3.85Å; S246-E250 WeakPolarHBondContact O-CG 3.49Å; S246-E250 PolarHBondContact O-N 3.1Å; V247-E250 PolarHBondContact O-N 3.44Å; L248-E250 PolarHBondContact O-N 3.31Å; E250-A254 WeakPolarHBondContact O-CB 3.35Å; E250-A254 PolarHBondContact O-N 3.3Å
251L90.1Very high82.5Confident0 Ų052.9 Ų52.90%027%0.267CS..Hα-helixtrans-66.3-39.8177-79.4169000112.2L119 H121 V160 V247 L248 A249 A254 L255 L294 W298L119-L251 HydrophobicContact CD2-CD2 3.74Å; H121-L251 HydrophobicContact CB-CD2 4.01Å; V160-L251 HydrophobicContact CB-CD2 4.34Å; V160-L251 HydrophobicContact CG1-CD2 3.9Å; V160-L251 HydrophobicContact CG1-CG 4.31Å; V247-L251 HydrophobicContact CG1-CD1 3.93Å; V247-L251 HydrophobicContact CG1-CG 4.49Å; V247-L251 WeakPolarHBondContact O-CB 3.32Å; V247-L251 WeakPolarHBondContact O-CG 3.11Å; V247-L251 PolarHBondContact O-N 3.2Å; L248-L251 PolarHBondContact O-N 2.78Å; A249-L251 PolarHBondContact O-N 2.96Å; L251-A254 PolarHBondContact O-N 3.47Å; L251-L255 WeakPolarHBondContact O-CB 3.42Å; L251-L255 PolarHBondContact O-N 3.28Å; L251-L294 HydrophobicContact CD1-CD2 4.11Å; L251-W298 HydrophobicContact CB-CE3 4.43Å; L251-W298 HydrophobicContact CB-CH2 3.44Å; L251-W298 VanDerWaalsContact CB-CH2 3.44Å; L251-W298 HydrophobicContact CB-CZ2 3.96Å; L251-W298 HydrophobicContact CB-CZ3 3.69Å; L251-W298 HydrophobicContact CD1-CE3 4.1Å; L251-W298 HydrophobicContact CD1-CH2 4.4Å; L251-W298 HydrophobicContact CD1-CZ3 3.74Å; L251-W298 HydrophobicContact CD2-CH2 4.4Å; L251-W298 HydrophobicContact CD2-CZ3 4.22Å; L251-W298 HydrophobicContact CG-CH2 4.3Å; L251-W298 HydrophobicContact CG-CZ3 4.11Å
252Q87.8Confident80.7Confident17 Ų1753 Ų538%0.07927%0.269CS..Hα-helixtrans-68.4-48.4178179175.3-31.600111.7L248 A249 A254 L255 W256 W298L248-Q252 WeakPolarHBondContact O-CB 3.31Å; L248-Q252 PolarHBondContact O-N 3.37Å; A249-Q252 PolarHBondContact O-N 3.02Å; Q252-A254 PolarHBondContact O-N 3.39Å; Q252-L255 WeakPolarHBondContact O-CB 3.43Å; Q252-L255 PolarHBondContact O-N 2.64Å; Q252-L255 VanDerWaalsContact O-N 3.1Å; Q252-W256 HydrophobicContact CG-CD2 3.79Å; Q252-W256 HydrophobicContact CG-CE3 3.56Å; Q252-W256 HydrophobicContact CG-CH2 3.46Å; Q252-W256 VanDerWaalsContact CG-CH2 3.46Å; Q252-W256 HydrophobicContact CG-CZ2 3.6Å; Q252-W256 HydrophobicContact CG-CZ3 3.43Å; Q252-W256 VanDerWaalsContact CG-CZ3 3.43Å; Q252-W256 PolarHBondContact O-N 3.17Å; Q252-W298 HydrophobicContact CB-CZ2 4.46Å
253E86.7Confident78.9Confident67 Ų6755.5 Ų55.531%0.31328%0.281SS..Hα-helixtrans-56.8-41.5171.6-76.3-56.413400111.2A186 A249 L255 W256 H257A186-E253 HydrophobicContact CB-CB 4.21Å; A186-E253 HydrophobicContact CB-CG 3.66Å; A249-E253 WeakPolarHBondContact O-CB 3.17Å; A249-E253 WeakPolarHBondContact O-CG 3.31Å; A249-E253 PolarHBondContact O-N 3.28Å; E253-L255 VanDerWaalsContact C-N 3.3Å; E253-L255 PolarHBondContact O-N 3.17Å; E253-W256 PolarHBondContact O-N 3.36Å; E253-H257 PolarHBondContact O-N 3.35Å; E253-H257 IonicContact OE1-CE1 3.28Å; E253-H257 IonicContact OE2-CE1 2.9Å; E253-H257 PolarHBondContact OE2-CE1 3.19Å; E253-H257 IonicContact OE2-CG 3.31Å; E253-H257 IonicContact OE2-ND1 2.73Å; E253-H257 PolarHBondContact OE2-ND1 3.16Å
254A87.4Confident76.8Confident4 Ų455.9 Ų55.93%0.03329%0.29CS..Hα-helixtrans-67.8-30.9178.800000113.5L119 R158 V160 E250 L251 Q252L119-A254 HydrophobicContact CD1-CB 3.67Å; R158-A254 VanDerWaalsContact CD-O 3.26Å; R158-A254 WeakPolarHBondContact CD-O 3.42Å; R158-A254 VanDerWaalsContact NH1-C 3.32Å; R158-A254 VanDerWaalsContact NH1-CA 3.27Å; R158-A254 PolarHBondContact NH1-O 3.18Å; V160-A254 HydrophobicContact CG2-CB 3.48Å; V160-A254 VanDerWaalsContact CG2-CB 3.48Å; E250-A254 WeakPolarHBondContact O-CB 3.35Å; E250-A254 PolarHBondContact O-N 3.3Å; L251-A254 PolarHBondContact O-N 3.47Å; Q252-A254 PolarHBondContact O-N 3.39Å
255L85.3Confident74.8Confident7 Ų757.7 Ų57.74%0.03732%0.318CS..Hα-helixtrans-75.3-40.5177.6-175.463.1000111.8L251 Q252 E253 W258 C277 V279 W298 P306L251-L255 WeakPolarHBondContact O-CB 3.42Å; L251-L255 PolarHBondContact O-N 3.28Å; Q252-L255 WeakPolarHBondContact O-CB 3.43Å; Q252-L255 PolarHBondContact O-N 2.64Å; Q252-L255 VanDerWaalsContact O-N 3.1Å; E253-L255 VanDerWaalsContact C-N 3.3Å; E253-L255 PolarHBondContact O-N 3.17Å; L255-W258 VanDerWaalsContact O-CD1 3.28Å; L255-W258 PolarHBondContact O-NE1 3.34Å; L255-C277 HydrophobicContact CD1-CB 3.72Å; L255-C277 VanDerWaalsContact CD1-SG 3.51Å; L255-V279 HydrophobicContact CD1-CG2 4.49Å; L255-W298 HydrophobicContact CD2-CZ2 4.27Å; L255-P306 HydrophobicContact CD2-CB 3.95Å; L255-P306 HydrophobicContact CD2-CG 3.87Å
256W80.8Confident72.9Confident104 Ų10461.2 Ų61.239%0.39434%0.336SS..Hα-helixtrans-86.6-37-172.4-63.4-21.3000114Q252 E253 V302Q252-W256 HydrophobicContact CG-CD2 3.79Å; Q252-W256 HydrophobicContact CG-CE3 3.56Å; Q252-W256 HydrophobicContact CG-CH2 3.46Å; Q252-W256 VanDerWaalsContact CG-CH2 3.46Å; Q252-W256 HydrophobicContact CG-CZ2 3.6Å; Q252-W256 HydrophobicContact CG-CZ3 3.43Å; Q252-W256 VanDerWaalsContact CG-CZ3 3.43Å; Q252-W256 PolarHBondContact O-N 3.17Å; E253-W256 PolarHBondContact O-N 3.36Å; W256-V302 HydrophobicContact CZ2-CG1 4.34Å
257H80.6Confident70.4Confident114 Ų11464.5 Ų64.553%0.52837%0.365SS..  trans-107.173.2-171.8-62.5110.7000112.9R158 E253R158-H257 VanDerWaalsContact NH1-C 3.3Å; R158-H257 PolarHBondContact NH1-O 3.36Å; R158-H257 PolarHBondContact NH2-O 2.96Å; E253-H257 PolarHBondContact O-N 3.35Å; E253-H257 IonicContact OE1-CE1 3.28Å; E253-H257 IonicContact OE2-CE1 2.9Å; E253-H257 PolarHBondContact OE2-CE1 3.19Å; E253-H257 IonicContact OE2-CG 3.31Å; E253-H257 IonicContact OE2-ND1 2.73Å; E253-H257 PolarHBondContact OE2-ND1 3.16Å
258W77.8Confident68Low36 Ų3667.4 Ų67.414%0.13640%0.398CS..  trans-71.8141.2176.6-78.265.4000111.4R117 C156 R158 L255 E260R117-W258 HydrophobicContact CB-CH2 3.56Å; R117-W258 HydrophobicContact CB-CZ2 3.56Å; R117-W258 HydrophobicContact CB-CZ3 4.2Å; R117-W258 HydrophobicContact CG-CD2 4.35Å; R117-W258 HydrophobicContact CG-CE3 4.23Å; R117-W258 HydrophobicContact CG-CH2 3.9Å; R117-W258 HydrophobicContact CG-CZ2 4Å; R117-W258 HydrophobicContact CG-CZ3 4.03Å; C156-W258 HydrophobicContact CB-CE3 4.26Å; C156-W258 HydrophobicContact CB-CH2 4.37Å; C156-W258 HydrophobicContact CB-CZ3 3.56Å; C156-W258 VanDerWaalsContact O-CH2 3.27Å; C156-W258 WeakPolarHBondContact O-CH2 3.2Å; C156-W258 WeakPolarHBondContact O-CZ3 3.5Å; C156-W258 VanDerWaalsContact SG-CE3 3.59Å; C156-W258 WeakPolarHBondContact SG-CZ3 3.49Å; R158-W258 HydrophobicContact CB-CH2 4.13Å; R158-W258 HydrophobicContact CB-CZ2 4.35Å; R158-W258 HydrophobicContact CB-CZ3 4.45Å; L255-W258 VanDerWaalsContact O-CD1 3.28Å; L255-W258 PolarHBondContact O-NE1 3.34Å; W258-E260 PolarHBondContact O-N 3.08Å
259P66.3Low65.4Low74 Ų7470.6 Ų70.648%0.48142%0.421SS..  trans-64.6127.3178.7-8.720.4000110.8D261 S262P259-D261 PolarHBondContact O-N 3.48Å; P259-S262 WeakPolarHBondContact CB-OG 3.35Å; P259-S262 WeakPolarHBondContact CG-OG 3.39Å; P259-S262 WeakPolarHBondContact O-CB 3.34Å; P259-S262 PolarHBondContact O-N 3.25Å; P259-S262 VanDerWaalsContact O-N 3.14Å; P259-S262 PolarHBondContact O-OG 3.35Å
260E53.7Low63.1Low196 Ų19676.7 Ų76.792%0.91646%0.46SS*.G310 helixtrans-59.3-29.7-176.9-65.5-172.7158.600112.9W258 S262W258-E260 PolarHBondContact O-N 3.08Å; E260-S262 PolarHBondContact O-N 3.27Å
261D50.6Low60.7Low164 Ų16482.3 Ų82.388%0.87749%0.491SS*.G310 helixtrans-78.72.1-179.7-68.1-39.3000114.7P259 H263P259-D261 PolarHBondContact O-N 3.48Å; D261-H263 PolarHBondContact O-N 3.5Å
262S50Low58.5Low38 Ų3886.1 Ų86.127%0.26652%0.515SS..G310 helixtrans-72.7-18.6-164.8-55.80000115.2C156 P259 E260C156-S262 VanDerWaalsContact SG-CB 3.52Å; P259-S262 WeakPolarHBondContact CB-OG 3.35Å; P259-S262 WeakPolarHBondContact CG-OG 3.39Å; P259-S262 WeakPolarHBondContact O-CB 3.34Å; P259-S262 PolarHBondContact O-N 3.25Å; P259-S262 VanDerWaalsContact O-N 3.14Å; P259-S262 PolarHBondContact O-OG 3.35Å; E260-S262 PolarHBondContact O-N 3.27Å
263H48.1Very low56.6Low96 Ų9687.3 Ų87.344%0.44453%0.531SS..  trans-172.2144.3164.2-81.1-54.8000111.9D261 G265D261-H263 PolarHBondContact O-N 3.5Å; H263-G265 PolarHBondContact O-N 2.91Å
264P43.8Very low54.8Low134 Ų13487.2 Ų87.287%0.8754%0.535SS*.THydrogen-bonded Turntrans-68.3-0.8-176.8-17.530000116.8
265G45.9Very low53.2Low76 Ų7692.3 Ų92.378%0.78456%0.562SS**THydrogen-bonded Turntrans-95.80.7-171.700000115.7H263H263-G265 PolarHBondContact O-N 2.91Å
266L48.6Very low52.3Low74 Ų7494.2 Ų94.239%0.38758%0.576SS.*  trans-106.42.2-173.9-94135000114.2R117 G268R117-L266 VanDerWaalsContact NH2-CD2 3.3Å; L266-G268 VanDerWaalsContact C-N 3.29Å; L266-G268 PolarHBondContact O-N 3.42Å
267A35.9Very low52.4Low106 Ų10689.5 Ų89.588%0.87656%0.559SS**SBendtrans-7481.3173.200000110.2
268G39.8Very low52.8Low76 Ų7684.3 Ų84.378%0.78454%0.535SS*.SBendtrans146.349.9168.900000117.4L266L266-G268 VanDerWaalsContact C-N 3.29Å; L266-G268 PolarHBondContact O-N 3.42Å
269S36.6Very low53.5Low67 Ų6782.6 Ų82.647%0.46953%0.528SS..  trans-161.6112.7149-176.40000109.6D271S269-D271 PolarHBondContact O-N 2.98Å
270P40Very low54.9Low132 Ų13279 Ų7986%0.85751%0.506SS*.THydrogen-bonded Turntrans-69.4-6.6177.6-14.228.8000114
271D39Very low56.9Low147 Ų14769.7 Ų69.779%0.78646%0.462SS*.THydrogen-bonded Turntrans-122.510-162.2-83.4-24.7000116.2S269 G273S269-D271 PolarHBondContact O-N 2.98Å; D271-G273 VanDerWaalsContact C-N 3.34Å; D271-G273 PolarHBondContact O-N 3.36Å
272T44Very low59.2Low80 Ų8061.9 Ų61.949%0.49142%0.42SS..  trans-8384.8168.158.70000109.7
273G46.8Very low61.4Low42 Ų4260.1 Ų60.143%0.43341%0.407SS..  trans-54.3173.2-173.300000116.4D271 D275 S276D271-G273 VanDerWaalsContact C-N 3.34Å; D271-G273 PolarHBondContact O-N 3.36Å; G273-D275 PolarHBondContact O-N 2.82Å; G273-S276 PolarHBondContact O-N 3.41Å; G273-S276 VanDerWaalsContact O-N 3.12Å; G273-S276 PolarHBondContact O-OG 3.38Å; G273-S276 VanDerWaalsContact O-OG 3.06Å
274T49.8Very low63.7Low64 Ų6455.5 Ų55.539%0.39339%0.386SS..G310 helixtrans-46.4-15.3172.430.10000114.9S276 C277T274-S276 PolarHBondContact O-N 3.1Å; T274-C277 PolarHBondContact O-N 3.31Å
275D52.9Low66Low111 Ų11151.4 Ų51.459%0.59436%0.36SS*.G310 helixtrans-65.4-14.2174.6-68.6-16.9000114.8G273G273-D275 PolarHBondContact O-N 2.82Å
276S67.4Low68.3Low47 Ų4751.9 Ų51.933%0.32934%0.342SS..G310 helixtrans-88.4-8.3178.561.30000114.7G273 T274G273-S276 PolarHBondContact O-N 3.41Å; G273-S276 VanDerWaalsContact O-N 3.12Å; G273-S276 PolarHBondContact O-OG 3.38Å; G273-S276 VanDerWaalsContact O-OG 3.06Å; T274-S276 PolarHBondContact O-N 3.1Å
277C82.4Confident70.4Confident6 Ų649.7 Ų49.74%0.04133%0.33CS..EExtended strand (participates in β ladder)trans-95.2126.7-176.8-168.70000112.1R117 L255 T274R117-C277 HydrophobicContact CB-CB 4.24Å; L255-C277 HydrophobicContact CD1-CB 3.72Å; L255-C277 VanDerWaalsContact CD1-SG 3.51Å; T274-C277 PolarHBondContact O-N 3.31Å
278L89Confident73.2Confident4 Ų446.6 Ų46.62%0.02130%0.297CS..EExtended strand (participates in β ladder)trans-94.6127.2171.2177.476000110R117 V118 L119 V280 R308 K310 L466 C468R117-L278 PolarHBondContact O-N 3.14Å; V118-L278 CarbonylContact C-O 3.55Å; V118-L278 WeakPolarHBondContact CA-O 3.35Å; V118-L278 HydrophobicContact CG1-CD2 4.5Å; V118-L278 HydrophobicContact CG2-CB 4.37Å; V118-L278 HydrophobicContact CG2-CD2 4.29Å; L119-L278 PolarHBondContact N-O 3.45Å; L278-V280 HydrophobicContact CD2-CG2 3.51Å; L278-V280 HydrophobicContact CG-CG2 3.74Å; L278-R308 HydrophobicContact CD1-CB 4.12Å; L278-K310 HydrophobicContact CD1-CG 3.92Å; L278-L466 HydrophobicContact CD2-CD1 4.1Å; L278-C468 HydrophobicContact CD1-CB 4.35Å; L278-C468 HydrophobicContact CD2-CB 4.33Å; L278-C468 WeakPolarHBondContact CD2-SG 3.38Å
279V92.6Very high75.8Confident0 Ų046.4 Ų46.40%028%0.275CS..EExtended strand (participates in β ladder)trans-100.3122.6170.1-178.60000109L119 L255 H281 P306 R308 Q309 K310L119-V279 HydrophobicContact CB-CG2 4.29Å; L119-V279 HydrophobicContact CD2-CG1 4.09Å; L255-V279 HydrophobicContact CD1-CG2 4.49Å; V279-H281 VanDerWaalsContact CG1-CE1 3.42Å; V279-H281 WeakPolarHBondContact CG1-CE1 3.16Å; V279-P306 HydrophobicContact CG2-CB 3.97Å; V279-P306 HydrophobicContact CG2-CG 3.8Å; V279-R308 PolarHBondContact N-O 2.86Å; V279-Q309 HydrophobicContact CB-CG 4.08Å; V279-Q309 HydrophobicContact CG1-CG 4.49Å; V279-Q309 CarbonylContact O-C 3.52Å; V279-Q309 WeakPolarHBondContact O-CA 3Å; V279-K310 PolarHBondContact O-N 3.38Å
280V95.4Very high78.4Confident0 Ų048.4 Ų48.40%028%0.277CS..EExtended strand (participates in β ladder)trans-117.8116.2176.1-179.40000109.2V118 L119 L120 H121 L278 V282 K310 L312 L466 I475V118-V280 HydrophobicContact CG1-CG2 4.3Å; L119-V280 PolarHBondContact O-N 3.11Å; L120-V280 WeakPolarHBondContact CA-O 3.19Å; L120-V280 HydrophobicContact CD2-CB 3.95Å; L120-V280 HydrophobicContact CD2-CG1 4.29Å; H121-V280 PolarHBondContact N-O 3.45Å; L278-V280 HydrophobicContact CD2-CG2 3.51Å; L278-V280 HydrophobicContact CG-CG2 3.74Å; V280-V282 HydrophobicContact CG1-CG2 4.33Å; V280-K310 CarbonylContact C-O 3.29Å; V280-K310 WeakPolarHBondContact CA-O 3.31Å; V280-K310 HydrophobicContact CG2-CB 4.47Å; V280-L312 HydrophobicContact CG1-CB 3.93Å; V280-L466 HydrophobicContact CG2-CD1 4.29Å; V280-I475 HydrophobicContact CG1-CG2 4.03Å
281H96.5Very high81Confident0 Ų042.5 Ų42.50%024%0.238CC..EExtended strand (participates in β ladder)trans-88.6111.8173.8-52.2-72.2000109.4H121 V279 V283 Q291 Q309 K310 H311 L312H121-H281 VanDerWaalsContact CB-ND1 3.35Å; H121-H281 WeakPolarHBondContact CB-ND1 3.34Å; H121-H281 AromaticContact CG-ND1 3.48Å; H121-H281 AromaticContact ND1-CE1 3.99Å; H121-H281 AromaticContact ND1-CG 3.98Å; H121-H281 AromaticContact ND1-ND1 3.07Å; H121-H281 PolarHBondContact ND1-ND1 2.86Å; H121-H281 CarbonylContact O-C 3.48Å; H121-H281 WeakPolarHBondContact O-CA 3.31Å; V279-H281 VanDerWaalsContact CG1-CE1 3.42Å; V279-H281 WeakPolarHBondContact CG1-CE1 3.16Å; H281-V283 HydrophobicContact CB-CG1 4.18Å; H281-Q291 HydrophobicContact CB-CG 3.77Å; H281-Q291 PolarHBondContact CE1-NE2 2.98Å; H281-Q291 PolarHBondContact ND1-NE2 3.03Å; H281-Q309 PolarHBondContact NE2-OE1 2.83Å; H281-K310 PolarHBondContact N-O 2.93Å; H281-H311 AromaticContact CD2-CD2 3.7Å; H281-H311 AromaticContact CD2-NE2 3.77Å; H281-L312 PolarHBondContact O-N 3.43Å
282V97.8Very high83.6Confident0 Ų036 Ų360%020%0.202CC..EExtended strand (participates in β ladder)trans-93.3101.1176.1-169.80000107.9L120 H121 V142 A143 V280 L312L120-V282 HydrophobicContact CD2-CG2 4.33Å; H121-V282 PolarHBondContact O-N 3.49Å; V142-V282 HydrophobicContact CB-CG1 4.36Å; V142-V282 HydrophobicContact CG1-CG1 4.04Å; A143-V282 HydrophobicContact CB-CB 4.15Å; A143-V282 HydrophobicContact CB-CG1 4.2Å; A143-V282 HydrophobicContact CB-CG2 4.07Å; V280-V282 HydrophobicContact CG1-CG2 4.33Å; V282-L312 HydrophobicContact CG1-CD2 4.18Å; V282-L312 HydrophobicContact CG1-CG 4.45Å; V282-L312 HydrophobicContact CG2-CB 4.36Å; V282-L312 HydrophobicContact CG2-CD2 4.13Å
283V96.9Very high85.9Confident0 Ų033.9 Ų33.90%019%0.187CC..EExtended strand (participates in β ladder)trans-130.3155.9-170.3-59.40000111.3P123 H281 E287 Q291 L312 I313 C314P123-V283 HydrophobicContact CG-CG1 3.56Å; H281-V283 HydrophobicContact CB-CG1 4.18Å; V283-E287 HydrophobicContact CB-CB 4.28Å; V283-Q291 HydrophobicContact CG1-CB 4.09Å; V283-Q291 HydrophobicContact CG1-CG 3.84Å; V283-L312 PolarHBondContact N-O 3.33Å; V283-I313 HydrophobicContact CG2-CD1 3.4Å; V283-C314 PolarHBondContact O-N 2.95Å
284S95.9Very high88Confident0 Ų032.2 Ų32.20%017%0.168CC..EExtended strand (participates in β ladder)trans-78.4157.1172.684.30000109.4T139 E286 E287 E288T139-S284 VanDerWaalsContact CG2-N 3.27Å; S284-E286 WeakPolarHBondContact CB-OE2 3.43Å; S284-E286 PolarHBondContact O-N 2.77Å; S284-E286 VanDerWaalsContact O-N 3.14Å; S284-E286 PolarHBondContact OG-N 3.49Å; S284-E286 PolarHBondContact OG-OE2 2.8Å; S284-E287 PolarHBondContact N-OE2 3.47Å; S284-E287 PolarHBondContact O-N 3.34Å; S284-E287 WeakPolarHBondContact OG-CG 3.43Å; S284-E287 PolarHBondContact OG-OE2 3.05Å; S284-E288 PolarHBondContact O-N 3.37Å
285C93.4Very high90Very high47 Ų4729.2 Ų29.232%0.31815%0.149SC..THydrogen-bonded Turntrans-58.5-26.9177.361.80000112.7E287 I313 C314C285-E287 VanDerWaalsContact C-N 3.3Å; C285-I313 HydrophobicContact CB-CG2 3.94Å; C285-C314 PolarHBondContact N-O 3.42Å
286E92.6Very high91.7Very high86 Ų8624 Ų2440%0.40212%0.121SC..THydrogen-bonded Turntrans-74.3-19.5176.3-50.191.2160.600113.3S135 S284S135-E286 WeakPolarHBondContact CB-OE2 3.34Å; S135-E286 PolarHBondContact OG-OE1 3.02Å; S284-E286 WeakPolarHBondContact CB-OE2 3.43Å; S284-E286 PolarHBondContact O-N 2.77Å; S284-E286 VanDerWaalsContact O-N 3.14Å; S284-E286 PolarHBondContact OG-N 3.49Å; S284-E286 PolarHBondContact OG-OE2 2.8Å
287E93.7Very high92.8Very high29 Ų2921.8 Ų21.814%0.13611%0.106CC..THydrogen-bonded Turntrans-101-11.9-177-67.2173.2149.100112.9Q136 V283 S284 C285 F289 Q290 Q291Q136-E287 WeakPolarHBondContact CG-OE1 3.44Å; Q136-E287 PolarHBondContact NE2-OE1 3.26Å; V283-E287 HydrophobicContact CB-CB 4.28Å; S284-E287 PolarHBondContact N-OE2 3.47Å; S284-E287 PolarHBondContact O-N 3.34Å; S284-E287 WeakPolarHBondContact OG-CG 3.43Å; S284-E287 PolarHBondContact OG-OE2 3.05Å; C285-E287 VanDerWaalsContact C-N 3.3Å; E287-F289 VanDerWaalsContact C-N 3.34Å; E287-F289 PolarHBondContact O-N 3.29Å; E287-Q290 PolarHBondContact O-N 3.2Å; E287-Q290 VanDerWaalsContact O-N 3.13Å; E287-Q291 PolarHBondContact O-N 3.29Å
288E94.4Very high93.1Very high40 Ų4021.6 Ų21.619%0.18710%0.104CC..Hα-helixtrans-53.4-47.7-173.9178.2172.9-168.300112.8S284 Q290 Q291 Q292 I313 H474S284-E288 PolarHBondContact O-N 3.37Å; E288-Q290 VanDerWaalsContact C-N 3.3Å; E288-Q290 PolarHBondContact O-N 2.98Å; E288-Q291 WeakPolarHBondContact O-CB 3.43Å; E288-Q291 PolarHBondContact O-N 3.49Å; E288-Q291 VanDerWaalsContact O-N 3.12Å; E288-Q292 HydrophobicContact CG-CG 4.4Å; E288-Q292 WeakPolarHBondContact O-CG 3.46Å; E288-Q292 PolarHBondContact O-N 3.27Å; E288-Q292 PolarHBondContact OE1-NE2 2.85Å; E288-Q292 VanDerWaalsContact OE1-NE2 3.17Å; E288-I313 HydrophobicContact CB-CD1 3.98Å; E288-I313 HydrophobicContact CG-CD1 3.73Å; E288-H474 IonicContact OE1-CD2 4Å; E288-H474 IonicContact OE1-CE1 3.7Å; E288-H474 IonicContact OE1-NE2 2.99Å; E288-H474 PolarHBondContact OE1-NE2 3.07Å
289F93.4Very high93Very high72 Ų7224.2 Ų24.232%0.31611%0.114SC..Hα-helixtrans-60.6-39.3-177.9-176.1-103.3000112.4D232 L235 E287 K293D232-F289 HydrophobicContact CB-CD2 4.27Å; D232-F289 HydrophobicContact CB-CE2 4.36Å; L235-F289 HydrophobicContact CD2-CD2 3.96Å; L235-F289 HydrophobicContact CD2-CE1 4.45Å; L235-F289 HydrophobicContact CD2-CE2 3.55Å; L235-F289 HydrophobicContact CD2-CZ 3.83Å; L235-F289 HydrophobicContact CG-CE2 3.99Å; E287-F289 VanDerWaalsContact C-N 3.34Å; E287-F289 PolarHBondContact O-N 3.29Å; F289-K293 HydrophobicContact CE1-CD 4.26Å; F289-K293 PolarHBondContact O-N 3.49Å
290Q92.6Very high92.7Very high110 Ų11026.5 Ų26.551%0.51412%0.124SC..Hα-helixtrans-72.8-35.8176.6-62.5-59.9-23.800111.6E287 E288 Q292 K293 L294E287-Q290 PolarHBondContact O-N 3.2Å; E287-Q290 VanDerWaalsContact O-N 3.13Å; E288-Q290 VanDerWaalsContact C-N 3.3Å; E288-Q290 PolarHBondContact O-N 2.98Å; Q290-Q292 VanDerWaalsContact C-N 3.32Å; Q290-Q292 PolarHBondContact O-N 2.87Å; Q290-K293 WeakPolarHBondContact O-CB 3.45Å; Q290-K293 PolarHBondContact O-N 3.43Å; Q290-L294 PolarHBondContact O-N 2.93Å
291Q94.6Very high92.3Very high8 Ų827.2 Ų27.24%0.03713%0.127CC..Hα-helixtrans-64.5-37.8175-175.459.46700111.9H121 H281 V283 E287 E288 K293 L294 D295H121-Q291 PolarHBondContact CE1-OE1 3.22Å; H121-Q291 PolarHBondContact ND1-OE1 2.86Å; H121-Q291 VanDerWaalsContact ND1-OE1 3.09Å; H281-Q291 HydrophobicContact CB-CG 3.77Å; H281-Q291 PolarHBondContact CE1-NE2 2.98Å; H281-Q291 PolarHBondContact ND1-NE2 3.03Å; V283-Q291 HydrophobicContact CG1-CB 4.09Å; V283-Q291 HydrophobicContact CG1-CG 3.84Å; E287-Q291 PolarHBondContact O-N 3.29Å; E288-Q291 WeakPolarHBondContact O-CB 3.43Å; E288-Q291 PolarHBondContact O-N 3.49Å; E288-Q291 VanDerWaalsContact O-N 3.12Å; Q291-K293 VanDerWaalsContact C-N 3.34Å; Q291-L294 PolarHBondContact O-N 3.44Å; Q291-D295 PolarHBondContact O-N 3.12Å
292Q93.3Very high91.5Very high9 Ų927.9 Ų27.94%0.04213%0.132CC..Hα-helixtrans-63.7-38.9173.9-69.9-172.928.400112Y231 L235 E288 Q290 D295 L296 L473Y231-Q292 HydrophobicContact CD1-CB 4.08Å; Y231-Q292 HydrophobicContact CD1-CG 4.22Å; Y231-Q292 HydrophobicContact CE1-CB 4.46Å; L235-Q292 HydrophobicContact CD1-CB 3.62Å; L235-Q292 HydrophobicContact CD1-CG 4.5Å; L235-Q292 VanDerWaalsContact CD1-OE1 3.25Å; L235-Q292 HydrophobicContact CD2-CB 4.4Å; E288-Q292 HydrophobicContact CG-CG 4.4Å; E288-Q292 WeakPolarHBondContact O-CG 3.46Å; E288-Q292 PolarHBondContact O-N 3.27Å; E288-Q292 PolarHBondContact OE1-NE2 2.85Å; E288-Q292 VanDerWaalsContact OE1-NE2 3.17Å; Q290-Q292 VanDerWaalsContact C-N 3.32Å; Q290-Q292 PolarHBondContact O-N 2.87Å; Q292-D295 PolarHBondContact O-N 3.37Å; Q292-L296 WeakPolarHBondContact O-CG 3.49Å; Q292-L296 PolarHBondContact O-N 2.95Å; Q292-L296 VanDerWaalsContact O-N 3.1Å; Q292-L473 HydrophobicContact CG-CD2 3.76Å
293K91.8Very high90.3Very high36 Ų3636.2 Ų36.216%0.15718%0.176CC..Hα-helixtrans-62-41.9172.1-72-176.6175.9-175.30112.6L235 F289 Q290 Q291 L297L235-K293 HydrophobicContact CD2-CB 4.49Å; L235-K293 HydrophobicContact CD2-CD 4.23Å; L235-K293 HydrophobicContact CD2-CG 3.33Å; F289-K293 HydrophobicContact CE1-CD 4.26Å; F289-K293 PolarHBondContact O-N 3.49Å; Q290-K293 WeakPolarHBondContact O-CB 3.45Å; Q290-K293 PolarHBondContact O-N 3.43Å; Q291-K293 VanDerWaalsContact C-N 3.34Å; K293-L297 WeakPolarHBondContact O-CB 3.12Å; K293-L297 PolarHBondContact O-N 2.99Å
294L92Very high89Confident8 Ų843.4 Ų43.44%0.04221%0.208CC..Hα-helixtrans-63.3-42.9178.6-176.269.7000111.4L244 V247 L248 L251 Q290 Q291 L297 W298L244-L294 HydrophobicContact CD2-CD1 3.86Å; V247-L294 HydrophobicContact CB-CD1 4.39Å; V247-L294 HydrophobicContact CB-CD2 4.46Å; V247-L294 HydrophobicContact CG1-CD1 4.43Å; V247-L294 HydrophobicContact CG1-CD2 3.67Å; L248-L294 HydrophobicContact CD1-CD1 4.39Å; L248-L294 HydrophobicContact CD2-CD1 3.45Å; L248-L294 VanDerWaalsContact CD2-CD1 3.45Å; L248-L294 HydrophobicContact CD2-CG 3.88Å; L248-L294 HydrophobicContact CG-CD1 3.67Å; L251-L294 HydrophobicContact CD1-CD2 4.11Å; Q290-L294 PolarHBondContact O-N 2.93Å; Q291-L294 PolarHBondContact O-N 3.44Å; L294-L297 PolarHBondContact O-N 2.85Å; L294-W298 WeakPolarHBondContact O-CB 3.3Å; L294-W298 PolarHBondContact O-N 3.18Å
295D90.4Very high87.7Confident0 Ų044.1 Ų44.10%021%0.213CC..Hα-helixtrans-61.7-50.8177180-4.5000111.5Y231 Q291 Q292 L297 W298 R299 Q309Y231-D295 HydrophobicContact CE1-CB 4.43Å; Y231-D295 VanDerWaalsContact OH-CG 3.25Å; Y231-D295 PolarHBondContact OH-OD2 3.3Å; Q291-D295 PolarHBondContact O-N 3.12Å; Q292-D295 PolarHBondContact O-N 3.37Å; D295-L297 VanDerWaalsContact C-N 3.31Å; D295-L297 PolarHBondContact O-N 2.78Å; D295-W298 WeakPolarHBondContact O-CB 3.38Å; D295-W298 PolarHBondContact O-N 2.89Å; D295-W298 VanDerWaalsContact O-N 3.12Å; D295-R299 PolarHBondContact O-N 2.85Å; D295-R299 IonicContact OD1-CZ 3.65Å; D295-R299 IonicContact OD1-NE 3.35Å; D295-R299 PolarHBondContact OD1-NE 2.82Å; D295-R299 IonicContact OD1-NH2 3.58Å; D295-R299 PolarHBondContact OD1-NH2 2.84Å; D295-R299 IonicContact OD2-NH2 3.53Å; D295-Q309 PolarHBondContact OD1-NE2 2.91Å; D295-Q309 PolarHBondContact OD1-OE1 3.46Å
296L89.4Confident86.5Confident2 Ų242.2 Ų42.21%0.0120%0.2CC..Hα-helixtrans-62.6-38.7177.2-66.6174.5000112.2L218 L221 V222 Y231 L235 Q292 W298 R299 K300L218-L296 HydrophobicContact CB-CD1 4.44Å; L218-L296 HydrophobicContact CD1-CB 3.86Å; L218-L296 HydrophobicContact CD1-CD1 4.08Å; L218-L296 HydrophobicContact CD2-CB 4.12Å; L218-L296 HydrophobicContact CG-CB 4.46Å; L221-L296 HydrophobicContact CB-CD2 4.22Å; V222-L296 HydrophobicContact CG2-CD1 3.65Å; Y231-L296 HydrophobicContact CD1-CD1 4.09Å; Y231-L296 HydrophobicContact CD1-CD2 4.11Å; Y231-L296 HydrophobicContact CD1-CG 4.02Å; Y231-L296 HydrophobicContact CE1-CD1 4.5Å; Y231-L296 HydrophobicContact CE1-CD2 3.92Å; Y231-L296 HydrophobicContact CE1-CG 3.92Å; L235-L296 HydrophobicContact CB-CD1 4.05Å; L235-L296 HydrophobicContact CD1-CD1 3.88Å; Q292-L296 WeakPolarHBondContact O-CG 3.49Å; Q292-L296 PolarHBondContact O-N 2.95Å; Q292-L296 VanDerWaalsContact O-N 3.1Å; L296-W298 VanDerWaalsContact C-N 3.33Å; L296-R299 PolarHBondContact O-N 3.01Å; L296-K300 PolarHBondContact O-N 3.34Å
297L89.9Confident85.3Confident0 Ų044.7 Ų44.70%022%0.216CC..Hα-helixtrans-63-41.4174.4-177.366000111.3L216 V240 L244 L248 K293 L294 D295 R299 K300 L301L216-L297 HydrophobicContact CD1-CD1 3.67Å; V240-L297 HydrophobicContact CG2-CD1 3.97Å; L244-L297 HydrophobicContact CB-CD2 4.37Å; L248-L297 HydrophobicContact CD1-CD2 3.9Å; L248-L297 HydrophobicContact CD1-CG 3.9Å; K293-L297 WeakPolarHBondContact O-CB 3.12Å; K293-L297 PolarHBondContact O-N 2.99Å; L294-L297 PolarHBondContact O-N 2.85Å; D295-L297 VanDerWaalsContact C-N 3.31Å; D295-L297 PolarHBondContact O-N 2.78Å; L297-R299 VanDerWaalsContact C-N 3.34Å; L297-R299 PolarHBondContact O-N 2.91Å; L297-K300 PolarHBondContact O-N 2.84Å; L297-L301 HydrophobicContact CD1-CD1 3.66Å; L297-L301 HydrophobicContact CD1-CG 3.94Å; L297-L301 HydrophobicContact CD2-CD1 4.44Å; L297-L301 HydrophobicContact CG-CD1 3.83Å; L297-L301 HydrophobicContact CG-CG 4.33Å; L297-L301 WeakPolarHBondContact O-CB 3.09Å; L297-L301 WeakPolarHBondContact O-CG 3.36Å; L297-L301 PolarHBondContact O-N 3.01Å
298W89.4Confident84.7Confident2 Ų247.8 Ų47.81%0.00823%0.226CC..Hα-helixtrans-59.2-47176.5-161.7-10.6000110.8L248 L251 Q252 L255 L294 D295 L296 K300 L301 V302 A305 P306L248-W298 HydrophobicContact CD2-CB 3.56Å; L248-W298 HydrophobicContact CD2-CD2 3.89Å; L248-W298 HydrophobicContact CD2-CE3 4.16Å; L248-W298 HydrophobicContact CD2-CG 3.64Å; L251-W298 HydrophobicContact CB-CE3 4.43Å; L251-W298 HydrophobicContact CB-CH2 3.44Å; L251-W298 VanDerWaalsContact CB-CH2 3.44Å; L251-W298 HydrophobicContact CB-CZ2 3.96Å; L251-W298 HydrophobicContact CB-CZ3 3.69Å; L251-W298 HydrophobicContact CD1-CE3 4.1Å; L251-W298 HydrophobicContact CD1-CH2 4.4Å; L251-W298 HydrophobicContact CD1-CZ3 3.74Å; L251-W298 HydrophobicContact CD2-CH2 4.4Å; L251-W298 HydrophobicContact CD2-CZ3 4.22Å; L251-W298 HydrophobicContact CG-CH2 4.3Å; L251-W298 HydrophobicContact CG-CZ3 4.11Å; Q252-W298 HydrophobicContact CB-CZ2 4.46Å; L255-W298 HydrophobicContact CD2-CZ2 4.27Å; L294-W298 WeakPolarHBondContact O-CB 3.3Å; L294-W298 PolarHBondContact O-N 3.18Å; D295-W298 WeakPolarHBondContact O-CB 3.38Å; D295-W298 PolarHBondContact O-N 2.89Å; D295-W298 VanDerWaalsContact O-N 3.12Å; L296-W298 VanDerWaalsContact C-N 3.33Å; W298-K300 VanDerWaalsContact C-N 3.3Å; W298-K300 PolarHBondContact O-N 3.1Å; W298-L301 PolarHBondContact O-N 3.36Å; W298-V302 WeakPolarHBondContact O-CB 3.39Å; W298-V302 PolarHBondContact O-N 3.37Å; W298-A305 HydrophobicContact CG-CB 4.34Å; W298-P306 HydrophobicContact CH2-CG 3.85Å; W298-P306 HydrophobicContact CZ2-CG 4.06Å; W298-P306 HydrophobicContact CZ3-CG 4.12Å
299R86.5Confident84.4Confident60 Ų6046.3 Ų46.323%0.22622%0.219CC..Hα-helixtrans-62.6-36.8177.7-65.6177.4-166-156.3-3.9113Y231 D295 L296 L297 A305Y231-R299 PolarHBondContact OH-NH2 3.35Å; D295-R299 PolarHBondContact O-N 2.85Å; D295-R299 IonicContact OD1-CZ 3.65Å; D295-R299 IonicContact OD1-NE 3.35Å; D295-R299 PolarHBondContact OD1-NE 2.82Å; D295-R299 IonicContact OD1-NH2 3.58Å; D295-R299 PolarHBondContact OD1-NH2 2.84Å; D295-R299 IonicContact OD2-NH2 3.53Å; L296-R299 PolarHBondContact O-N 3.01Å; L297-R299 VanDerWaalsContact C-N 3.34Å; L297-R299 PolarHBondContact O-N 2.91Å; R299-A305 HydrophobicContact CG-CB 4.24Å
300K87.3Confident84.4Confident48 Ų4843.6 Ų43.621%0.20921%0.207CC..Hα-helixtrans-70.5-39.3179.2-161178.8177.395.40112.2E198 L216 C217 L218 L221 L296 L297 W298E198-K300 VanDerWaalsContact OE2-CE 3.28Å; E198-K300 WeakPolarHBondContact OE2-CE 3.01Å; L216-K300 HydrophobicContact CB-CD 4.41Å; L216-K300 HydrophobicContact CD1-CD 4.37Å; C217-K300 PolarHBondContact O-NZ 3.49Å; L218-K300 HydrophobicContact CD2-CD 4.26Å; L221-K300 HydrophobicContact CD1-CB 3.8Å; L221-K300 HydrophobicContact CD1-CD 4.45Å; L221-K300 HydrophobicContact CD1-CG 4.17Å; L296-K300 PolarHBondContact O-N 3.34Å; L297-K300 PolarHBondContact O-N 2.84Å; W298-K300 VanDerWaalsContact C-N 3.3Å; W298-K300 PolarHBondContact O-N 3.1Å
301L85.6Confident84.5Confident14 Ų1438.3 Ų38.37%0.07318%0.183CC..Hα-helixtrans-92-13.8-172.8-65.2-177.6000114.3L191 A195 E198 L216 L245 L248 L297 W298L191-L301 HydrophobicContact CD2-CB 4.42Å; A195-L301 HydrophobicContact CB-CD1 4.08Å; A195-L301 HydrophobicContact CB-CD2 4.12Å; E198-L301 HydrophobicContact CB-CD2 4.46Å; E198-L301 HydrophobicContact CG-CD2 4.27Å; L216-L301 HydrophobicContact CD1-CD2 3.99Å; L245-L301 HydrophobicContact CD2-CD1 3.66Å; L248-L301 HydrophobicContact CD1-CD1 4.22Å; L297-L301 HydrophobicContact CD1-CD1 3.66Å; L297-L301 HydrophobicContact CD1-CG 3.94Å; L297-L301 HydrophobicContact CD2-CD1 4.44Å; L297-L301 HydrophobicContact CG-CD1 3.83Å; L297-L301 HydrophobicContact CG-CG 4.33Å; L297-L301 WeakPolarHBondContact O-CB 3.09Å; L297-L301 WeakPolarHBondContact O-CG 3.36Å; L297-L301 PolarHBondContact O-N 3.01Å; W298-L301 PolarHBondContact O-N 3.36Å
302V81.5Confident84.6Confident15 Ų1538 Ų389%0.09118%0.181CC..  trans-134.6108.7-173.4-173.80000110.5L191 W256 W298 K304 A305L191-V302 HydrophobicContact CD2-CG2 3.58Å; W256-V302 HydrophobicContact CZ2-CG1 4.34Å; W298-V302 WeakPolarHBondContact O-CB 3.39Å; W298-V302 PolarHBondContact O-N 3.37Å; V302-K304 PolarHBondContact O-N 3.13Å; V302-A305 HydrophobicContact CB-CB 4.44Å; V302-A305 WeakPolarHBondContact O-CB 2.98Å; V302-A305 PolarHBondContact O-N 3.07Å
303D71.9Confident84.8Confident174 Ų17438.6 Ų38.693%0.9318%0.184SC*.THydrogen-bonded Turntrans-56.2-25.8-179.5-62.9-28.4000114
304K69.6Low85Confident152 Ų15236.9 Ų36.966%0.66118%0.177SC*.THydrogen-bonded Turntrans-109.729.9178-62.8-173.3179.6-179.10113.4V302V302-K304 PolarHBondContact O-N 3.13Å
305A68.4Low85.2Confident15 Ų1536.8 Ų36.812%0.12418%0.177CC..  trans-55.1144.9174.200000111W298 R299 V302 L307W298-A305 HydrophobicContact CG-CB 4.34Å; R299-A305 HydrophobicContact CG-CB 4.24Å; V302-A305 HydrophobicContact CB-CB 4.44Å; V302-A305 WeakPolarHBondContact O-CB 2.98Å; V302-A305 PolarHBondContact O-N 3.07Å; A305-L307 PolarHBondContact O-N 3Å
306P68.6Low85.3Confident6 Ų638.5 Ų38.54%0.03919%0.189CC..  trans-61.5125.8-17721.2-29000111L255 V279 W298 R308 Q309L255-P306 HydrophobicContact CD2-CB 3.95Å; L255-P306 HydrophobicContact CD2-CG 3.87Å; V279-P306 HydrophobicContact CG2-CB 3.97Å; V279-P306 HydrophobicContact CG2-CG 3.8Å; W298-P306 HydrophobicContact CH2-CG 3.85Å; W298-P306 HydrophobicContact CZ2-CG 4.06Å; W298-P306 HydrophobicContact CZ3-CG 4.12Å; P306-R308 PolarHBondContact O-N 3.22Å; P306-Q309 HydrophobicContact CB-CG 4.4Å; P306-Q309 HydrophobicContact CG-CG 3.89Å; P306-Q309 PolarHBondContact O-NE2 2.8Å
307L67.8Low85.5Confident139 Ų13939.2 Ų39.273%0.72819%0.193SC*.SBendtrans-67.1-17.8179.8-64.5174.5000113A305A305-L307 PolarHBondContact O-N 3Å
308R79.6Confident85.5Confident94 Ų9444.4 Ų44.436%0.35522%0.216SC..  trans-120.574.9-175.1-59.8-178.277175.57.6111.6L278 V279 P306 C468L278-R308 HydrophobicContact CD1-CB 4.12Å; V279-R308 PolarHBondContact N-O 2.86Å; P306-R308 PolarHBondContact O-N 3.22Å; R308-C468 VanDerWaalsContact NH2-C 3.26Å; R308-C468 PolarHBondContact NH2-O 3.15Å
309Q89.1Confident85.4Confident8 Ų846.1 Ų46.14%0.03723%0.226CC..EExtended strand (participates in β ladder)trans-97.6135.4169.5-67.1177.977.900110.2V279 H281 D295 P306V279-Q309 HydrophobicContact CB-CG 4.08Å; V279-Q309 HydrophobicContact CG1-CG 4.49Å; V279-Q309 CarbonylContact O-C 3.52Å; V279-Q309 WeakPolarHBondContact O-CA 3Å; H281-Q309 PolarHBondContact NE2-OE1 2.83Å; D295-Q309 PolarHBondContact OD1-NE2 2.91Å; D295-Q309 PolarHBondContact OD1-OE1 3.46Å; P306-Q309 HydrophobicContact CB-CG 4.4Å; P306-Q309 HydrophobicContact CG-CG 3.89Å; P306-Q309 PolarHBondContact O-NE2 2.8Å
310K93.3Very high85Confident15 Ų1545.9 Ų45.97%0.06524%0.237CC..EExtended strand (participates in β ladder)trans-136.2148.4-179.1-67.8-66.4-172.7169.90111.7L278 V279 V280 H281 A470 G472 L473 I475L278-K310 HydrophobicContact CD1-CG 3.92Å; V279-K310 PolarHBondContact O-N 3.38Å; V280-K310 CarbonylContact C-O 3.29Å; V280-K310 WeakPolarHBondContact CA-O 3.31Å; V280-K310 HydrophobicContact CG2-CB 4.47Å; H281-K310 PolarHBondContact N-O 2.93Å; K310-A470 PolarHBondContact NZ-O 3.47Å; K310-G472 PolarHBondContact NZ-O 2.83Å; K310-L473 CarbonylContact C-O 3.53Å; K310-L473 VanDerWaalsContact CA-O 3.27Å; K310-L473 WeakPolarHBondContact CA-O 3.17Å; K310-I475 HydrophobicContact CB-CB 4.03Å; K310-I475 HydrophobicContact CB-CG2 3.85Å; K310-I475 HydrophobicContact CG-CB 4.41Å; K310-I475 HydrophobicContact CG-CD1 4.4Å
311H94.9Very high84Confident0 Ų047.7 Ų47.70%027%0.269CS..EExtended strand (participates in β ladder)trans-110.7115.6-179.2-73.6-155.1000110.6H281 I313 L473 H474 I475H281-H311 AromaticContact CD2-CD2 3.7Å; H281-H311 AromaticContact CD2-NE2 3.77Å; H311-I313 HydrophobicContact CB-CD1 3.78Å; H311-I313 HydrophobicContact CB-CG1 4.35Å; H311-L473 HydrophobicContact CB-CG 4.2Å; H311-L473 PolarHBondContact N-O 3.42Å; H311-H474 WeakPolarHBondContact O-CA 3.27Å; H311-I475 PolarHBondContact O-N 3.12Å
312L96.6Very high82.6Confident0 Ų049.8 Ų49.80%029%0.289CS..EExtended strand (participates in β ladder)trans-9495.3167.517860.7000108.6V142 L146 V280 H281 V282 V283 P379 I475 A477V142-L312 HydrophobicContact CG1-CD2 3.73Å; L146-L312 HydrophobicContact CD2-CD2 3.93Å; V280-L312 HydrophobicContact CG1-CB 3.93Å; H281-L312 PolarHBondContact O-N 3.43Å; V282-L312 HydrophobicContact CG1-CD2 4.18Å; V282-L312 HydrophobicContact CG1-CG 4.45Å; V282-L312 HydrophobicContact CG2-CB 4.36Å; V282-L312 HydrophobicContact CG2-CD2 4.13Å; V283-L312 PolarHBondContact N-O 3.33Å; L312-P379 HydrophobicContact CD1-CB 4.36Å; L312-I475 HydrophobicContact CB-CG2 4.07Å; L312-I475 WeakPolarHBondContact CD1-O 3.16Å; L312-A477 HydrophobicContact CD1-CB 3.92Å; L312-A477 HydrophobicContact CD2-CB 3.8Å
313I96.5Very high81Confident23 Ų2356 Ų5612%0.11833%0.329CS..EExtended strand (participates in β ladder)trans-82.2124.4-177.3-50.4-56.8000110.4V283 C285 E288 H311 Q380V283-I313 HydrophobicContact CG2-CD1 3.4Å; C285-I313 HydrophobicContact CB-CG2 3.94Å; E288-I313 HydrophobicContact CB-CD1 3.98Å; E288-I313 HydrophobicContact CG-CD1 3.73Å; H311-I313 HydrophobicContact CB-CD1 3.78Å; H311-I313 HydrophobicContact CB-CG1 4.35Å; I313-Q380 WeakPolarHBondContact O-CA 3.23Å
314C97.3Very high80.1Confident0 Ų049.9 Ų49.90%031%0.308CS..EExtended strand (participates in β ladder)trans-91.1125170.5-65.50000110.3T139 V283 C285 P379T139-C314 HydrophobicContact CG2-CB 3.7Å; V283-C314 PolarHBondContact O-N 2.95Å; C285-C314 PolarHBondContact N-O 3.42Å; C314-P379 CarbonylContact C-O 3.58Å; C314-P379 VanDerWaalsContact CA-O 3.26Å; C314-P379 WeakPolarHBondContact CA-O 3.39Å
315G95.3Very high79.3Confident5 Ų548.9 Ų48.95%0.05232%0.317CS..PPolyproline II helixtrans-64.7157.9175.100000112.2R138 P379R138-G315 PolarHBondContact NH1-O 3.32Å; G315-P379 PolarHBondContact N-O 3.45Å
316P93.9Very high79.7Confident37 Ų3755.3 Ų55.324%0.2435%0.348CS..PPolyproline II helixtrans-67.7150.1-169.425.9-31.6000111.8Q382 L383P316-Q382 HydrophobicContact CG-CB 4.35Å; P316-Q382 HydrophobicContact CG-CG 4.09Å; P316-L383 PolarHBondContact O-N 3.47Å
317V93.5Very high80.6Confident16 Ų1656.8 Ų56.810%0.09736%0.355CS..EExtended strand (participates in β ladder)trans-103.7112.9176.7-176.90000109.5L134 S135 R138 M374 L383 L385L134-V317 HydrophobicContact CB-CB 3.96Å; L134-V317 HydrophobicContact CB-CG1 3.74Å; L134-V317 HydrophobicContact CD1-CG1 4.3Å; S135-V317 PolarHBondContact OG-N 2.97Å; R138-V317 HydrophobicContact CB-CG2 4Å; R138-V317 HydrophobicContact CG-CG2 4.49Å; V317-M374 HydrophobicContact CG1-CE 4.39Å; V317-M374 HydrophobicContact CG1-SD 4.41Å; V317-M374 HydrophobicContact CG2-SD 4.44Å; V317-L383 HydrophobicContact CG1-CD2 4.17Å; V317-L383 HydrophobicContact CG2-CB 4.29Å; V317-L383 HydrophobicContact CG2-CD2 4.15Å; V317-L385 HydrophobicContact CG1-CD1 3.46Å; V317-L385 VanDerWaalsContact CG1-CD1 3.46Å; V317-L385 HydrophobicContact CG1-CG 3.75Å
318K90Very high81.8Confident110 Ų11051.5 Ų51.548%0.47833%0.329SS..EExtended strand (participates in β ladder)trans-108.3140.4177.9-60.3-160.4-170.1170.20110.9L383 F384 L385K318-L383 PolarHBondContact N-O 3.01Å; K318-F384 HydrophobicContact CB-CD1 3.93Å; K318-F384 HydrophobicContact CB-CE1 4.08Å; K318-F384 HydrophobicContact CD-CE1 4.27Å; K318-F384 CarbonylContact O-C 3.41Å; K318-F384 VanDerWaalsContact O-CA 3.31Å; K318-F384 WeakPolarHBondContact O-CA 3.31Å; K318-L385 PolarHBondContact O-N 3.28Å
319V86.9Confident82.5Confident38 Ų3847 Ų4723%0.2331%0.312CS..EExtended strand (participates in β ladder)trans-95.8124.6175.5-177.30000108.9L134 G321 A322 M327 L387L134-V319 HydrophobicContact CD1-CG2 3.65Å; V319-G321 PolarHBondContact O-N 3.32Å; V319-A322 HydrophobicContact CG1-CB 4.47Å; V319-M327 HydrophobicContact CG2-CE 4.01Å; V319-L387 HydrophobicContact CG1-CD1 3.52Å; V319-L387 HydrophobicContact CG1-CD2 3.9Å; V319-L387 HydrophobicContact CG1-CG 3.53Å
320A78.1Confident82.8Confident55 Ų5547.8 Ų47.846%0.45532%0.317SS..THydrogen-bonded Turntrans-70.4128.2-179.100000111L385A320-L385 PolarHBondContact N-O 2.95Å
321G65.5Low82.8Confident85 Ų8551.9 Ų51.988%0.87634%0.336SS*.THydrogen-bonded Turntrans85.410168.800000116.9V319V319-G321 PolarHBondContact O-N 3.32Å
322A56Low82.8Confident59 Ų5951.9 Ų51.949%0.48834%0.336SS..  trans-115.6117.3178.100000112.2V319 G324V319-A322 HydrophobicContact CG1-CB 4.47Å; A322-G324 PolarHBondContact O-N 3.01Å
323P47.8Very low82.7Confident144 Ų14452.6 Ų52.694%0.93534%0.339SS*.  trans-83.922.1157.613.52.2000112.3
324G53Low82.6Confident47 Ų4758.6 Ų58.649%0.48536%0.364SS..SBendtrans-92.1176.8-173.100000114.6A322A322-G324 PolarHBondContact O-N 3.01Å
325P54.3Low82.4Confident131 Ų13161.9 Ų61.985%0.85138%0.379SS*.  trans-56.5148.1177.623-31.4000111.6M327P325-M327 PolarHBondContact O-N 2.94Å
326L75.1Confident82.2Confident149 Ų14961.6 Ų61.678%0.7838%0.376SS*.  trans-56.6108.2178.4-70.6164.8000109.6T328L326-T328 PolarHBondContact O-N 3.35Å
327M87.9Confident82.2Confident38 Ų3862.3 Ų62.319%0.18738%0.376CS..  trans-61.6131.5176.3179.3175.163.600110.3L134 V319 P325 E331 Y332 L387L134-M327 HydrophobicContact CD1-CB 4.4Å; L134-M327 HydrophobicContact CD1-CE 3.44Å; L134-M327 VanDerWaalsContact CD1-CE 3.44Å; L134-M327 HydrophobicContact CD2-CE 4.12Å; L134-M327 HydrophobicContact CG-CE 4.37Å; L134-M327 WeakPolarHBondContact CG-O 3.38Å; V319-M327 HydrophobicContact CG2-CE 4.01Å; P325-M327 PolarHBondContact O-N 2.94Å; M327-E331 HydrophobicContact CG-CB 3.99Å; M327-Y332 HydrophobicContact CE-CD2 3.14Å; M327-Y332 HydrophobicContact CE-CE2 3.83Å; M327-Y332 HydrophobicContact CE-CG 3.74Å; M327-Y332 HydrophobicContact SD-CD2 3.79Å; M327-Y332 HydrophobicContact SD-CG 4.34Å; M327-L387 HydrophobicContact CE-CD2 4.15Å
328T92.6Very high82.1Confident28 Ų2864.3 Ų64.317%0.17240%0.395CS..BIsolated β-bridgetrans-84.4162.3177.865.10000111.2C130 L326 E331 Y332C130-T328 WeakPolarHBondContact O-CG2 3.26Å; L326-T328 PolarHBondContact O-N 3.35Å; T328-E331 WeakPolarHBondContact CB-OE2 3.45Å; T328-E331 PolarHBondContact N-OE2 2.79Å; T328-E331 PolarHBondContact O-N 3.44Å; T328-E331 WeakPolarHBondContact OG1-CB 3.21Å; T328-E331 WeakPolarHBondContact OG1-CG 3.3Å; T328-E331 PolarHBondContact OG1-N 3.22Å; T328-E331 PolarHBondContact OG1-OE2 3.11Å; T328-Y332 WeakPolarHBondContact O-CB 3.4Å; T328-Y332 PolarHBondContact O-N 2.9Å
329A94.4Very high82Confident0 Ų059.9 Ų59.90%038%0.376CS..Hα-helixtrans-60-43178.100000113.3L132 L137 F171 Y332 Y333L132-A329 HydrophobicContact CB-CB 4.08Å; L132-A329 HydrophobicContact CD2-CB 3.82Å; L132-A329 HydrophobicContact CG-CB 4.09Å; L132-A329 WeakPolarHBondContact O-CB 3.41Å; L132-A329 PolarHBondContact O-N 3.5Å; L137-A329 HydrophobicContact CB-CB 3.92Å; L137-A329 HydrophobicContact CD1-CB 4.3Å; L137-A329 HydrophobicContact CD2-CB 3.87Å; L137-A329 HydrophobicContact CG-CB 4.24Å; F171-A329 HydrophobicContact CE1-CB 3.84Å; F171-A329 HydrophobicContact CZ-CB 3.79Å; A329-Y332 PolarHBondContact O-N 3.17Å; A329-Y333 PolarHBondContact O-N 3.34Å
330P95.4Very high82.2Confident23 Ų2358.1 Ų58.115%0.14937%0.365CS..Hα-helixtrans-66.8-37.4176-23.236000113.5P129 F171 Y332 Y333 K334P129-P330 HydrophobicContact CB-CG 4.5Å; P129-P330 WeakPolarHBondContact O-CD 3.4Å; P129-P330 WeakPolarHBondContact O-CG 3.34Å; F171-P330 HydrophobicContact CD2-CG 4.49Å; F171-P330 HydrophobicContact CE1-CG 4.48Å; F171-P330 HydrophobicContact CE2-CB 4.21Å; F171-P330 HydrophobicContact CE2-CG 4.19Å; F171-P330 HydrophobicContact CZ-CG 4.18Å; P330-Y332 VanDerWaalsContact C-N 3.32Å; P330-Y333 PolarHBondContact O-N 2.87Å; P330-K334 WeakPolarHBondContact O-CG 3.39Å; P330-K334 PolarHBondContact O-N 3.1Å
331E93.8Very high82.6Confident101 Ų10156.9 Ų56.947%0.47235%0.353SS..Hα-helixtrans-63-41.2173.9-72.7166.3156.200111.2M327 T328 Y333 K334 F335M327-E331 HydrophobicContact CG-CB 3.99Å; T328-E331 WeakPolarHBondContact CB-OE2 3.45Å; T328-E331 PolarHBondContact N-OE2 2.79Å; T328-E331 PolarHBondContact O-N 3.44Å; T328-E331 WeakPolarHBondContact OG1-CB 3.21Å; T328-E331 WeakPolarHBondContact OG1-CG 3.3Å; T328-E331 PolarHBondContact OG1-N 3.22Å; T328-E331 PolarHBondContact OG1-OE2 3.11Å; E331-Y333 PolarHBondContact O-N 2.91Å; E331-K334 PolarHBondContact O-N 2.64Å; E331-F335 VanDerWaalsContact O-CB 3.31Å; E331-F335 WeakPolarHBondContact O-CB 3.17Å; E331-F335 PolarHBondContact O-N 3.14Å
332Y94.3Very high83.6Confident0 Ų058.7 Ų58.70%034%0.336CS..Hα-helixtrans-62.7-42.6176.2-174.3-127.5000112.8L134 L137 M327 T328 A329 P330 F335 R336 I370 E373 M374 L385 L387L134-Y332 HydrophobicContact CD2-CD1 4.26Å; L134-Y332 HydrophobicContact CD2-CG 4.05Å; L137-Y332 HydrophobicContact CD2-CD1 4.22Å; M327-Y332 HydrophobicContact CE-CD2 3.14Å; M327-Y332 HydrophobicContact CE-CE2 3.83Å; M327-Y332 HydrophobicContact CE-CG 3.74Å; M327-Y332 HydrophobicContact SD-CD2 3.79Å; M327-Y332 HydrophobicContact SD-CG 4.34Å; T328-Y332 WeakPolarHBondContact O-CB 3.4Å; T328-Y332 PolarHBondContact O-N 2.9Å; A329-Y332 PolarHBondContact O-N 3.17Å; P330-Y332 VanDerWaalsContact C-N 3.32Å; Y332-F335 WeakPolarHBondContact O-CB 3.5Å; Y332-F335 PolarHBondContact O-N 2.89Å; Y332-R336 HydrophobicContact CD2-CG 4.33Å; Y332-R336 HydrophobicContact CE1-CG 4.43Å; Y332-R336 HydrophobicContact CE2-CG 3.95Å; Y332-R336 PolarHBondContact O-N 2.99Å; Y332-R336 PolarHBondContact OH-NE 3.38Å; Y332-R336 PolarHBondContact OH-NH2 3.2Å; Y332-I370 HydrophobicContact CD1-CG1 4.21Å; Y332-I370 HydrophobicContact CD1-CG2 4.38Å; Y332-I370 HydrophobicContact CE1-CB 4.39Å; Y332-I370 HydrophobicContact CE1-CG1 3.9Å; Y332-I370 HydrophobicContact CE1-CG2 4.08Å; Y332-E373 PolarHBondContact OH-OE2 3.34Å; Y332-M374 HydrophobicContact CD1-CE 3.99Å; Y332-M374 HydrophobicContact CE1-CE 3.61Å; Y332-L385 HydrophobicContact CE1-CD1 4.33Å; Y332-L385 HydrophobicContact CE2-CD1 4.19Å; Y332-L387 HydrophobicContact CE2-CD2 4.28Å
333Y95.3Very high84.9Confident15 Ų1557.4 Ų57.46%0.05933%0.326CS..Hα-helixtrans-58.8-52.2174177.7-83.4000111.1Q174 L175 A329 P330 E331 F335 R336 H337 V367 I370Q174-Y333 VanDerWaalsContact CD-CE1 3.45Å; Q174-Y333 VanDerWaalsContact CD-CZ 3.48Å; Q174-Y333 HydrophobicContact CG-CD2 4.38Å; Q174-Y333 HydrophobicContact CG-CE1 4.04Å; Q174-Y333 HydrophobicContact CG-CE2 3.69Å; Q174-Y333 VanDerWaalsContact CG-CZ 3.5Å; Q174-Y333 VanDerWaalsContact NE2-CZ 3.29Å; Q174-Y333 PolarHBondContact NE2-OH 2.89Å; L175-Y333 HydrophobicContact CD2-CD2 3.89Å; A329-Y333 PolarHBondContact O-N 3.34Å; P330-Y333 PolarHBondContact O-N 2.87Å; E331-Y333 PolarHBondContact O-N 2.91Å; Y333-F335 VanDerWaalsContact C-N 3.25Å; Y333-F335 PolarHBondContact O-N 3.36Å; Y333-R336 PolarHBondContact O-N 2.86Å; Y333-H337 HydrophobicContact CD1-CB 4.49Å; Y333-H337 HydrophobicContact CE1-CB 4.09Å; Y333-H337 WeakPolarHBondContact O-CB 3.25Å; Y333-H337 PolarHBondContact O-N 3.04Å; Y333-V367 HydrophobicContact CE2-CG2 3.94Å; Y333-I370 HydrophobicContact CD2-CD1 3.67Å; Y333-I370 HydrophobicContact CG-CD1 4.31Å
334K94.6Very high86.5Confident149 Ų14951.1 Ų51.165%0.64829%0.285SS*.Hα-helixtrans-57.8-40.8179.5-72.2175.2-176.81790111.5P330 E331 H337 A338P330-K334 WeakPolarHBondContact O-CG 3.39Å; P330-K334 PolarHBondContact O-N 3.1Å; E331-K334 PolarHBondContact O-N 2.64Å; K334-H337 PolarHBondContact O-N 3.46Å; K334-A338 WeakPolarHBondContact O-CB 3.38Å; K334-A338 PolarHBondContact O-N 2.9Å
335F92.4Very high87.9Confident69 Ų6951 Ų5130%0.30328%0.279SS..Hα-helixtrans-60.4-52.1176.6177.6-98.1000111.9E331 Y332 Y333 H337 A338 Q339 L387E331-F335 VanDerWaalsContact O-CB 3.31Å; E331-F335 WeakPolarHBondContact O-CB 3.17Å; E331-F335 PolarHBondContact O-N 3.14Å; Y332-F335 WeakPolarHBondContact O-CB 3.5Å; Y332-F335 PolarHBondContact O-N 2.89Å; Y333-F335 VanDerWaalsContact C-N 3.25Å; Y333-F335 PolarHBondContact O-N 3.36Å; F335-H337 VanDerWaalsContact C-N 3.33Å; F335-H337 PolarHBondContact O-N 3.08Å; F335-A338 PolarHBondContact O-N 3.03Å; F335-Q339 HydrophobicContact CE1-CG 4.31Å; F335-Q339 VanDerWaalsContact CZ-CD 3.5Å; F335-Q339 HydrophobicContact CZ-CG 4.24Å; F335-Q339 WeakPolarHBondContact O-CG 3.42Å; F335-Q339 PolarHBondContact O-N 3.3Å; F335-Q339 VanDerWaalsContact O-N 3.12Å; F335-L387 HydrophobicContact CD1-CD2 4.23Å; F335-L387 HydrophobicContact CE1-CB 3.97Å; F335-L387 HydrophobicContact CE1-CD2 3.8Å; F335-L387 HydrophobicContact CE1-CG 4.38Å; F335-L387 HydrophobicContact CZ-CB 3.86Å; F335-L387 HydrophobicContact CZ-CD2 4.37Å; F335-L387 WeakPolarHBondContact CZ-O 3.5Å
336R92.3Very high89Confident0 Ų051.7 Ų51.70%028%0.275CS..Hα-helixtrans-64.4-38178.3-70.7-58-170.2-155.6-2.9112.4Y332 Y333 Q339 V340 I370 E373 A386Y332-R336 HydrophobicContact CD2-CG 4.33Å; Y332-R336 HydrophobicContact CE1-CG 4.43Å; Y332-R336 HydrophobicContact CE2-CG 3.95Å; Y332-R336 PolarHBondContact O-N 2.99Å; Y332-R336 PolarHBondContact OH-NE 3.38Å; Y332-R336 PolarHBondContact OH-NH2 3.2Å; Y333-R336 PolarHBondContact O-N 2.86Å; R336-Q339 PolarHBondContact O-N 3.36Å; R336-V340 WeakPolarHBondContact O-CG2 3.37Å; R336-V340 PolarHBondContact O-N 2.99Å; R336-I370 HydrophobicContact CB-CD1 4.32Å; R336-I370 HydrophobicContact CB-CG1 4.14Å; R336-I370 HydrophobicContact CG-CG1 3.94Å; R336-E373 IonicContact CZ-OE1 3.79Å; R336-E373 VanDerWaalsContact CZ-OE1 3.31Å; R336-E373 IonicContact CZ-OE2 3.31Å; R336-E373 VanDerWaalsContact CZ-OE2 3.28Å; R336-E373 IonicContact NE-OE1 3.49Å; R336-E373 IonicContact NE-OE2 3.73Å; R336-E373 PolarHBondContact NE-OE2 2.92Å; R336-E373 IonicContact NH2-OE1 2.8Å; R336-E373 PolarHBondContact NH2-OE1 3.41Å; R336-E373 IonicContact NH2-OE2 2.7Å; R336-E373 PolarHBondContact NH2-OE2 3.26Å; R336-A386 PolarHBondContact NH2-O 2.87Å
337H92.8Very high89Confident51 Ų5150 Ų5024%0.23626%0.262CS..Hα-helixtrans-61-49175.3-172.1-84.5000112.4Y333 K334 F335 Q339 V340 C341 S366Y333-H337 HydrophobicContact CD1-CB 4.49Å; Y333-H337 HydrophobicContact CE1-CB 4.09Å; Y333-H337 WeakPolarHBondContact O-CB 3.25Å; Y333-H337 PolarHBondContact O-N 3.04Å; K334-H337 PolarHBondContact O-N 3.46Å; F335-H337 VanDerWaalsContact C-N 3.33Å; F335-H337 PolarHBondContact O-N 3.08Å; H337-Q339 VanDerWaalsContact C-N 3.28Å; H337-Q339 PolarHBondContact O-N 2.94Å; H337-V340 PolarHBondContact O-N 2.93Å; H337-C341 PolarHBondContact CE1-SG 3Å; H337-C341 PolarHBondContact O-N 2.71Å; H337-C341 PolarHBondContact O-SG 3.22Å; H337-S366 VanDerWaalsContact CA-OG 3.23Å; H337-S366 WeakPolarHBondContact CA-OG 3.49Å; H337-S366 PolarHBondContact CD2-OG 2.99Å
338A90.8Very high88.3Confident59 Ų5952.4 Ų52.449%0.48827%0.272SS..Hα-helixtrans-58.5-40.9176.600000112.1K334 F335 C341 K342K334-A338 WeakPolarHBondContact O-CB 3.38Å; K334-A338 PolarHBondContact O-N 2.9Å; F335-A338 PolarHBondContact O-N 3.03Å; A338-C341 PolarHBondContact O-N 3.32Å; A338-K342 WeakPolarHBondContact O-CB 3.43Å; A338-K342 PolarHBondContact O-N 3.42Å
339Q89.4Confident86.7Confident16 Ų1653.4 Ų53.48%0.07529%0.289CS..Hα-helixtrans-67.8-38.4177.4-70.8-177.4-52.400112.9F335 R336 H337 K342 A343 L387 D389 I392F335-Q339 HydrophobicContact CE1-CG 4.31Å; F335-Q339 VanDerWaalsContact CZ-CD 3.5Å; F335-Q339 HydrophobicContact CZ-CG 4.24Å; F335-Q339 WeakPolarHBondContact O-CG 3.42Å; F335-Q339 PolarHBondContact O-N 3.3Å; F335-Q339 VanDerWaalsContact O-N 3.12Å; R336-Q339 PolarHBondContact O-N 3.36Å; H337-Q339 VanDerWaalsContact C-N 3.28Å; H337-Q339 PolarHBondContact O-N 2.94Å; Q339-K342 PolarHBondContact O-N 3.47Å; Q339-A343 WeakPolarHBondContact O-CB 3.28Å; Q339-A343 PolarHBondContact O-N 3.4Å; Q339-L387 PolarHBondContact NE2-O 2.8Å; Q339-D389 PolarHBondContact NE2-OD1 2.86Å; Q339-I392 HydrophobicContact CB-CD1 3.07Å; Q339-I392 HydrophobicContact CB-CG1 4.48Å; Q339-I392 HydrophobicContact CG-CD1 3.92Å
340V89.5Confident85.3Confident2 Ų256.2 Ų56.21%0.01232%0.318CS..Hα-helixtrans-62.1-49.6173.6166.50000110.5R336 H337 K342 A343 S344 F362 L365 I392R336-V340 WeakPolarHBondContact O-CG2 3.37Å; R336-V340 PolarHBondContact O-N 2.99Å; H337-V340 PolarHBondContact O-N 2.93Å; V340-K342 VanDerWaalsContact C-N 3.3Å; V340-K342 PolarHBondContact O-N 3.07Å; V340-A343 PolarHBondContact O-N 3.46Å; V340-A343 VanDerWaalsContact O-N 3.17Å; V340-S344 PolarHBondContact O-N 2.94Å; V340-S344 PolarHBondContact O-OG 2.77Å; V340-F362 HydrophobicContact CG1-CB 4.19Å; V340-F362 HydrophobicContact CG1-CD1 4.02Å; V340-F362 HydrophobicContact CG1-CG 4.41Å; V340-L365 HydrophobicContact CG1-CB 3.78Å; V340-L365 HydrophobicContact CG1-CD1 4.11Å; V340-L365 HydrophobicContact CG2-CB 4.33Å; V340-I392 HydrophobicContact CB-CG2 4.5Å; V340-I392 HydrophobicContact CG2-CD1 4.48Å; V340-I392 HydrophobicContact CG2-CG1 4.5Å; V340-I392 HydrophobicContact CG2-CG2 3.88Å
341C87.9Confident83.8Confident28 Ų2860.4 Ų60.419%0.18934%0.339CS..Hα-helixtrans-56.3-46.3177.2-65.10000111.4H337 A338 A343 S344 A345H337-C341 PolarHBondContact CE1-SG 3Å; H337-C341 PolarHBondContact O-N 2.71Å; H337-C341 PolarHBondContact O-SG 3.22Å; A338-C341 PolarHBondContact O-N 3.32Å; C341-A343 PolarHBondContact O-N 2.94Å; C341-S344 PolarHBondContact O-N 2.8Å; C341-A345 WeakPolarHBondContact O-CB 3.44Å; C341-A345 PolarHBondContact O-N 3.05Å
342K86.1Confident82.6Confident123 Ų12357.3 Ų57.354%0.53533%0.325SS..Hα-helixtrans-60.1-45177.2-174.5-174177.4-169.40112A338 Q339 V340 S344 L346 D389A338-K342 WeakPolarHBondContact O-CB 3.43Å; A338-K342 PolarHBondContact O-N 3.42Å; Q339-K342 PolarHBondContact O-N 3.47Å; V340-K342 VanDerWaalsContact C-N 3.3Å; V340-K342 PolarHBondContact O-N 3.07Å; K342-S344 VanDerWaalsContact C-N 3.34Å; K342-S344 PolarHBondContact O-N 3.05Å; K342-L346 WeakPolarHBondContact O-CG 3.39Å; K342-L346 PolarHBondContact O-N 2.92Å; K342-D389 IonicContact NZ-OD2 3.8Å
343A83.8Confident81.1Confident33 Ų3359.7 Ų59.727%0.27335%0.345SS..Hα-helixtrans-66.5-35.7-179.700000112.6Q339 V340 C341 I392Q339-A343 WeakPolarHBondContact O-CB 3.28Å; Q339-A343 PolarHBondContact O-N 3.4Å; V340-A343 PolarHBondContact O-N 3.46Å; V340-A343 VanDerWaalsContact O-N 3.17Å; C341-A343 PolarHBondContact O-N 2.94Å; A343-I392 HydrophobicContact CB-CG2 3.81Å
344S81.9Confident79.7Confident11 Ų1166.1 Ų66.18%0.07738%0.375CS..Hα-helixtrans-73.3-42.2176.9-60.80000112.2V340 C341 K342 L346 K347 H348 F362V340-S344 PolarHBondContact O-N 2.94Å; V340-S344 PolarHBondContact O-OG 2.77Å; C341-S344 PolarHBondContact O-N 2.8Å; K342-S344 VanDerWaalsContact C-N 3.34Å; K342-S344 PolarHBondContact O-N 3.05Å; S344-L346 PolarHBondContact O-N 3.12Å; S344-K347 PolarHBondContact O-N 2.76Å; S344-H348 PolarHBondContact O-CD2 3.15Å; S344-H348 PolarHBondContact O-N 2.82Å; S344-H348 VanDerWaalsContact O-N 3.15Å; S344-F362 WeakPolarHBondContact OG-CE1 3.1Å
345A81Confident78.9Confident44 Ų4462.3 Ų62.336%0.36436%0.362SS..Hα-helixtrans-57.1-38.5176.700000112.3C341 K347 G349C341-A345 WeakPolarHBondContact O-CB 3.44Å; C341-A345 PolarHBondContact O-N 3.05Å; A345-K347 VanDerWaalsContact C-N 3.25Å; A345-K347 PolarHBondContact O-N 2.82Å; A345-G349 PolarHBondContact O-N 2.79Å
346L78.3Confident78.2Confident146 Ų14664 Ų6476%0.76438%0.38SS*.Hα-helixtrans-65.4-23.4175.9-70.9171.4000114.1K342 S344K342-L346 WeakPolarHBondContact O-CG 3.39Å; K342-L346 PolarHBondContact O-N 2.92Å; S344-L346 PolarHBondContact O-N 3.12Å
347K75.5Confident77.6Confident114 Ų11466.4 Ų66.450%0.49640%0.4SS..Hα-helixtrans-93-41.9-176.7-75.9178.8176178.50113.8S344 A345 T394S344-K347 PolarHBondContact O-N 2.76Å; A345-K347 VanDerWaalsContact C-N 3.25Å; A345-K347 PolarHBondContact O-N 2.82Å; K347-T394 PolarHBondContact NZ-OG1 2.85Å
348H72.1Confident77.2Confident88 Ų8865.6 Ų65.641%0.40740%0.395SS..Hα-helixtrans-101.1-16.6-170.4-61-82.2000112.9S344 L352 W358 I543S344-H348 PolarHBondContact O-CD2 3.15Å; S344-H348 PolarHBondContact O-N 2.82Å; S344-H348 VanDerWaalsContact O-N 3.15Å; H348-L352 HydrophobicContact CB-CD1 3.44Å; H348-L352 VanDerWaalsContact CB-CD1 3.44Å; H348-W358 AromaticContact CD2-CH2 3.94Å; H348-W358 AromaticContact CE1-CH2 3.82Å; H348-W358 AromaticContact NE2-CH2 3.75Å; H348-I543 PolarHBondContact CE1-OXT 2.67Å; H348-I543 PolarHBondContact NE2-OXT 2.77Å
349G60Low77Confident50 Ų5066 Ų6652%0.51539%0.391SS..  trans70.7137.4-175.900000112.2A345A345-G349 PolarHBondContact O-N 2.79Å
350G65.1Low77.1Confident59 Ų5969.7 Ų69.761%0.60841%0.408SS*.SBendtrans91175.1177.600000115.5L352G350-L352 PolarHBondContact O-N 2.89Å
351D63.9Low77.2Confident110 Ų11070 Ų7059%0.58841%0.41SS*.  trans-88.872.3-176.9-167-7.4000111.2A353 H354D351-A353 PolarHBondContact O-N 2.9Å; D351-A353 WeakPolarHBondContact OD1-CB 3.12Å; D351-A353 PolarHBondContact OD1-N 2.9Å; D351-H354 IonicContact OD1-CE1 3.04Å; D351-H354 IonicContact OD1-ND1 2.97Å; D351-H354 PolarHBondContact OD1-ND1 3.34Å; D351-H354 VanDerWaalsContact OD1-ND1 3.1Å; D351-H354 IonicContact OD2-CE1 2.67Å; D351-H354 PolarHBondContact OD2-CE1 2.89Å; D351-H354 IonicContact OD2-ND1 2.77Å; D351-H354 PolarHBondContact OD2-ND1 2.75Å
352L68.6Low77.4Confident37 Ų3768.9 Ų68.919%0.19440%0.402CS..G310 helixtrans-67.2-7.5174.2-65.1178.5000113.2H348 G350 H354 D355 W358 F362H348-L352 HydrophobicContact CB-CD1 3.44Å; H348-L352 VanDerWaalsContact CB-CD1 3.44Å; G350-L352 PolarHBondContact O-N 2.89Å; L352-H354 PolarHBondContact O-N 3.46Å; L352-D355 PolarHBondContact O-N 3.48Å; L352-W358 HydrophobicContact CB-CB 4.34Å; L352-W358 HydrophobicContact CB-CD2 4.42Å; L352-W358 HydrophobicContact CB-CG 4.09Å; L352-W358 HydrophobicContact CD1-CD2 4.03Å; L352-W358 HydrophobicContact CD1-CE3 4.42Å; L352-W358 HydrophobicContact CD1-CG 4.47Å; L352-W358 HydrophobicContact CD1-CH2 4.37Å; L352-W358 HydrophobicContact CD1-CZ2 4.02Å; L352-W358 HydrophobicContact CD2-CG 4.45Å; L352-W358 VanDerWaalsContact O-CB 3.29Å; L352-W358 WeakPolarHBondContact O-CB 3.22Å; L352-F362 HydrophobicContact CB-CE2 4.44Å; L352-F362 HydrophobicContact CB-CZ 4.08Å
353A61.1Low77.8Confident50 Ų5063.4 Ų63.441%0.41338%0.38SS..G310 helixtrans-71.1-16.1-17600000113.2D351 T359D351-A353 PolarHBondContact O-N 2.9Å; D351-A353 WeakPolarHBondContact OD1-CB 3.12Å; D351-A353 PolarHBondContact OD1-N 2.9Å; A353-T359 PolarHBondContact O-OG1 2.78Å
354H65.9Low78.4Confident150 Ų15061.9 Ų61.969%0.69437%0.368SS*.G310 helixtrans-95.6-7.6178.3-65.683.8000113.5D351 L352 P356D351-H354 IonicContact OD1-CE1 3.04Å; D351-H354 IonicContact OD1-ND1 2.97Å; D351-H354 PolarHBondContact OD1-ND1 3.34Å; D351-H354 VanDerWaalsContact OD1-ND1 3.1Å; D351-H354 IonicContact OD2-CE1 2.67Å; D351-H354 PolarHBondContact OD2-CE1 2.89Å; D351-H354 IonicContact OD2-ND1 2.77Å; D351-H354 PolarHBondContact OD2-ND1 2.75Å; L352-H354 PolarHBondContact O-N 3.46Å; H354-P356 WeakPolarHBondContact O-CD 3.42Å
355D78.3Confident79Confident69 Ų6961.5 Ų61.537%0.36937%0.365SS..  trans-79.6121.9174.2-176.7-23.8000109.6L352 A357 W358 T359L352-D355 PolarHBondContact O-N 3.48Å; D355-A357 PolarHBondContact O-N 3.3Å; D355-A357 WeakPolarHBondContact OD1-CB 3.4Å; D355-A357 PolarHBondContact OD1-N 2.92Å; D355-W358 HydrophobicContact CB-CB 4.15Å; D355-W358 HydrophobicContact CB-CG 4.39Å; D355-W358 PolarHBondContact O-N 3.4Å; D355-W358 VanDerWaalsContact O-N 3.16Å; D355-T359 PolarHBondContact O-N 3.06Å; D355-T359 PolarHBondContact O-OG1 2.97Å
356P78.8Confident79.7Confident105 Ų10559.4 Ų59.468%0.68235%0.347SS*.Hα-helixtrans-56-34.9178.7-25.234.4000113.9H354 T359 E360H354-P356 WeakPolarHBondContact O-CD 3.42Å; P356-T359 PolarHBondContact O-N 2.58Å; P356-E360 PolarHBondContact O-N 3.1Å
357A79.3Confident80.6Confident50 Ų5052.4 Ų52.441%0.41331%0.311SS..Hα-helixtrans-67.6-42.7178.700000111.3D355 E360 I361D355-A357 PolarHBondContact O-N 3.3Å; D355-A357 WeakPolarHBondContact OD1-CB 3.4Å; D355-A357 PolarHBondContact OD1-N 2.92Å; A357-E360 PolarHBondContact O-N 3.09Å; A357-I361 WeakPolarHBondContact O-CG1 3.43Å; A357-I361 PolarHBondContact O-N 2.91Å; A357-I361 VanDerWaalsContact O-N 3.16Å
358W84.4Confident81.6Confident34 Ų3447 Ų4713%0.12929%0.287CS..Hα-helixtrans-71.1-32.8176.6-78.8102.3000112.8H348 L352 D355 E360 I361 F362 I543H348-W358 AromaticContact CD2-CH2 3.94Å; H348-W358 AromaticContact CE1-CH2 3.82Å; H348-W358 AromaticContact NE2-CH2 3.75Å; L352-W358 HydrophobicContact CB-CB 4.34Å; L352-W358 HydrophobicContact CB-CD2 4.42Å; L352-W358 HydrophobicContact CB-CG 4.09Å; L352-W358 HydrophobicContact CD1-CD2 4.03Å; L352-W358 HydrophobicContact CD1-CE3 4.42Å; L352-W358 HydrophobicContact CD1-CG 4.47Å; L352-W358 HydrophobicContact CD1-CH2 4.37Å; L352-W358 HydrophobicContact CD1-CZ2 4.02Å; L352-W358 HydrophobicContact CD2-CG 4.45Å; L352-W358 VanDerWaalsContact O-CB 3.29Å; L352-W358 WeakPolarHBondContact O-CB 3.22Å; D355-W358 HydrophobicContact CB-CB 4.15Å; D355-W358 HydrophobicContact CB-CG 4.39Å; D355-W358 PolarHBondContact O-N 3.4Å; D355-W358 VanDerWaalsContact O-N 3.16Å; W358-E360 VanDerWaalsContact C-N 3.33Å; W358-E360 PolarHBondContact O-N 3.09Å; W358-I361 HydrophobicContact CD2-CD1 4.5Å; W358-I361 HydrophobicContact CE3-CB 4.38Å; W358-I361 HydrophobicContact CE3-CD1 4.24Å; W358-I361 HydrophobicContact CE3-CG2 4.2Å; W358-I361 HydrophobicContact CZ3-CG2 4.3Å; W358-I361 PolarHBondContact O-N 3.36Å; W358-F362 HydrophobicContact CB-CE2 3.93Å; W358-F362 HydrophobicContact CB-CZ 3.93Å; W358-F362 HydrophobicContact CD2-CE1 4.39Å; W358-F362 HydrophobicContact CD2-CZ 4.23Å; W358-F362 HydrophobicContact CE3-CD1 4.31Å; W358-F362 AromaticContact CE3-CE1 3.44Å; W358-F362 HydrophobicContact CE3-CE1 3.44Å; W358-F362 VanDerWaalsContact CE3-CE1 3.44Å; W358-F362 AromaticContact CE3-CZ 3.7Å; W358-F362 HydrophobicContact CE3-CZ 3.7Å; W358-F362 HydrophobicContact CG-CZ 4.37Å; W358-F362 HydrophobicContact CZ3-CE1 4.02Å; W358-F362 WeakPolarHBondContact O-CB 3.47Å; W358-F362 WeakPolarHBondContact O-CD2 3.41Å; W358-F362 WeakPolarHBondContact O-CG 3.49Å; W358-F362 PolarHBondContact O-N 3.36Å; W358-I543 VanDerWaalsContact CH2-OXT 3.31Å; W358-I543 WeakPolarHBondContact CH2-OXT 3.2Å
359T87.1Confident82.7Confident68 Ų6842.9 Ų42.942%0.41727%0.269SS..Hα-helixtrans-58.2-46174.4-58.80000111.2A353 D355 P356 F362 G363A353-T359 PolarHBondContact O-OG1 2.78Å; D355-T359 PolarHBondContact O-N 3.06Å; D355-T359 PolarHBondContact O-OG1 2.97Å; P356-T359 PolarHBondContact O-N 2.58Å; T359-F362 PolarHBondContact O-N 3.49Å; T359-G363 PolarHBondContact O-N 3.46Å
360E90.3Very high84.4Confident92 Ų9240.6 Ų40.643%0.4324%0.244SC..Hα-helixtrans-66.2-43.1175.9177.355.6-152.900111.7R176 P356 A357 W358 F362 G363 V364R176-E360 IonicContact CZ-OE1 3.29Å; R176-E360 IonicContact NH2-OE1 3.2Å; R176-E360 PolarHBondContact NH2-OE1 3.12Å; R176-E360 IonicContact NH2-OE2 3.03Å; R176-E360 PolarHBondContact NH2-OE2 3.13Å; P356-E360 PolarHBondContact O-N 3.1Å; A357-E360 PolarHBondContact O-N 3.09Å; W358-E360 VanDerWaalsContact C-N 3.33Å; W358-E360 PolarHBondContact O-N 3.09Å; E360-F362 VanDerWaalsContact C-N 3.34Å; E360-F362 PolarHBondContact O-N 3.07Å; E360-G363 WeakPolarHBondContact O-CA 3.49Å; E360-G363 PolarHBondContact O-N 3.33Å; E360-G363 VanDerWaalsContact O-N 3.17Å; E360-V364 WeakPolarHBondContact O-CG2 3.35Å; E360-V364 PolarHBondContact O-N 3.18Å; E360-V364 WeakPolarHBondContact OE1-CG2 3.02Å
361I91.9Very high85.9Confident9 Ų937.8 Ų37.85%0.04622%0.215CC..Hα-helixtrans-59.2-44.7175.9-68.8167.4000111A357 W358 G363 V364 L365 L540 H542 I543A357-I361 WeakPolarHBondContact O-CG1 3.43Å; A357-I361 PolarHBondContact O-N 2.91Å; A357-I361 VanDerWaalsContact O-N 3.16Å; W358-I361 HydrophobicContact CD2-CD1 4.5Å; W358-I361 HydrophobicContact CE3-CB 4.38Å; W358-I361 HydrophobicContact CE3-CD1 4.24Å; W358-I361 HydrophobicContact CE3-CG2 4.2Å; W358-I361 HydrophobicContact CZ3-CG2 4.3Å; W358-I361 PolarHBondContact O-N 3.36Å; I361-G363 VanDerWaalsContact C-N 3.32Å; I361-G363 PolarHBondContact O-N 2.82Å; I361-V364 PolarHBondContact O-N 2.99Å; I361-L365 HydrophobicContact CG2-CD1 3.77Å; I361-L365 HydrophobicContact CG2-CG 4.24Å; I361-L365 WeakPolarHBondContact O-CB 3.48Å; I361-L365 VanDerWaalsContact O-CG 3.25Å; I361-L365 WeakPolarHBondContact O-CG 3.17Å; I361-L365 PolarHBondContact O-N 3.31Å; I361-L540 HydrophobicContact CG1-CD2 4.32Å; I361-L540 HydrophobicContact CG2-CD1 4.33Å; I361-H542 WeakPolarHBondContact CD1-NE2 3.47Å; I361-I543 HydrophobicContact CG2-CG1 4.46Å
362F92.3Very high87.4Confident4 Ų432.8 Ų32.82%0.01819%0.188CC..Hα-helixtrans-63.2-40176.8-61.1-25.3000111.6V340 S344 L352 W358 T359 E360 L365 S366V340-F362 HydrophobicContact CG1-CB 4.19Å; V340-F362 HydrophobicContact CG1-CD1 4.02Å; V340-F362 HydrophobicContact CG1-CG 4.41Å; S344-F362 WeakPolarHBondContact OG-CE1 3.1Å; L352-F362 HydrophobicContact CB-CE2 4.44Å; L352-F362 HydrophobicContact CB-CZ 4.08Å; W358-F362 HydrophobicContact CB-CE2 3.93Å; W358-F362 HydrophobicContact CB-CZ 3.93Å; W358-F362 HydrophobicContact CD2-CE1 4.39Å; W358-F362 HydrophobicContact CD2-CZ 4.23Å; W358-F362 HydrophobicContact CE3-CD1 4.31Å; W358-F362 AromaticContact CE3-CE1 3.44Å; W358-F362 HydrophobicContact CE3-CE1 3.44Å; W358-F362 VanDerWaalsContact CE3-CE1 3.44Å; W358-F362 AromaticContact CE3-CZ 3.7Å; W358-F362 HydrophobicContact CE3-CZ 3.7Å; W358-F362 HydrophobicContact CG-CZ 4.37Å; W358-F362 HydrophobicContact CZ3-CE1 4.02Å; W358-F362 WeakPolarHBondContact O-CB 3.47Å; W358-F362 WeakPolarHBondContact O-CD2 3.41Å; W358-F362 WeakPolarHBondContact O-CG 3.49Å; W358-F362 PolarHBondContact O-N 3.36Å; T359-F362 PolarHBondContact O-N 3.49Å; E360-F362 VanDerWaalsContact C-N 3.34Å; E360-F362 PolarHBondContact O-N 3.07Å; F362-L365 PolarHBondContact O-N 3.32Å; F362-S366 VanDerWaalsContact O-CB 3.31Å; F362-S366 WeakPolarHBondContact O-CB 3.21Å; F362-S366 PolarHBondContact O-N 3.35Å; F362-S366 PolarHBondContact O-OG 2.96Å
363G94.5Very high88.6Confident9 Ų932.2 Ų32.29%0.09319%0.185CC..Hα-helixtrans-54.5-55.4170.200000111.7T359 E360 I361 L365 S366 V367T359-G363 PolarHBondContact O-N 3.46Å; E360-G363 WeakPolarHBondContact O-CA 3.49Å; E360-G363 PolarHBondContact O-N 3.33Å; E360-G363 VanDerWaalsContact O-N 3.17Å; I361-G363 VanDerWaalsContact C-N 3.32Å; I361-G363 PolarHBondContact O-N 2.82Å; G363-L365 PolarHBondContact O-N 3.06Å; G363-S366 WeakPolarHBondContact O-CB 3.44Å; G363-S366 PolarHBondContact O-N 2.8Å; G363-V367 WeakPolarHBondContact O-CG2 3.49Å; G363-V367 PolarHBondContact O-N 3.42Å
364V95.8Very high90.2Very high1 Ų129.8 Ų29.81%0.00617%0.165CC..Hα-helixtrans-58.7-44.5-180173.80000112.1E360 I361 S366 V367 A368 M404 P538 L540E360-V364 WeakPolarHBondContact O-CG2 3.35Å; E360-V364 PolarHBondContact O-N 3.18Å; E360-V364 WeakPolarHBondContact OE1-CG2 3.02Å; I361-V364 PolarHBondContact O-N 2.99Å; V364-S366 VanDerWaalsContact C-N 3.34Å; V364-S366 PolarHBondContact O-N 3.18Å; V364-V367 PolarHBondContact O-N 2.98Å; V364-A368 VanDerWaalsContact O-CB 3.31Å; V364-A368 WeakPolarHBondContact O-CB 3.45Å; V364-A368 PolarHBondContact O-N 3.36Å; V364-M404 HydrophobicContact CG1-CE 3.48Å; V364-M404 VanDerWaalsContact CG1-CE 3.48Å; V364-P538 HydrophobicContact CG1-CG 4.11Å; V364-P538 HydrophobicContact CG2-CG 3.76Å; V364-L540 HydrophobicContact CB-CD2 4.24Å; V364-L540 HydrophobicContact CG1-CD1 4.28Å; V364-L540 HydrophobicContact CG1-CD2 3.96Å; V364-L540 HydrophobicContact CG1-CG 4.11Å; V364-L540 HydrophobicContact CG2-CD2 4.45Å
365L94.8Very high91.7Very high2 Ų222.8 Ų22.81%0.0113%0.132CC..Hα-helixtrans-66.6-35.3179-68.4173.1000112.9V340 I361 F362 G363 T369 T401 M404 L540 I543V340-L365 HydrophobicContact CG1-CB 3.78Å; V340-L365 HydrophobicContact CG1-CD1 4.11Å; V340-L365 HydrophobicContact CG2-CB 4.33Å; I361-L365 HydrophobicContact CG2-CD1 3.77Å; I361-L365 HydrophobicContact CG2-CG 4.24Å; I361-L365 WeakPolarHBondContact O-CB 3.48Å; I361-L365 VanDerWaalsContact O-CG 3.25Å; I361-L365 WeakPolarHBondContact O-CG 3.17Å; I361-L365 PolarHBondContact O-N 3.31Å; F362-L365 PolarHBondContact O-N 3.32Å; G363-L365 PolarHBondContact O-N 3.06Å; L365-T369 WeakPolarHBondContact O-CB 3.42Å; L365-T369 PolarHBondContact O-N 3.45Å; L365-T369 PolarHBondContact O-OG1 3.41Å; L365-T401 HydrophobicContact CD2-CG2 4.06Å; L365-M404 HydrophobicContact CD2-CB 3.61Å; L365-M404 HydrophobicContact CD2-CG 4.03Å; L365-L540 HydrophobicContact CD2-CD1 3.94Å; L365-L540 HydrophobicContact CG-CD1 4.3Å; L365-I543 HydrophobicContact CD1-CD1 3.62Å; L365-I543 HydrophobicContact CD1-CG1 4.04Å; L365-I543 HydrophobicContact CD2-CD1 3.51Å; L365-I543 HydrophobicContact CG-CD1 4.14Å
366S95.1Very high92.4Very high0 Ų021 Ų210%013%0.126CC..Hα-helixtrans-65.6-48.1175.9-56.70000110.7H337 F362 G363 V364 T369 I370H337-S366 VanDerWaalsContact CA-OG 3.23Å; H337-S366 WeakPolarHBondContact CA-OG 3.49Å; H337-S366 PolarHBondContact CD2-OG 2.99Å; F362-S366 VanDerWaalsContact O-CB 3.31Å; F362-S366 WeakPolarHBondContact O-CB 3.21Å; F362-S366 PolarHBondContact O-N 3.35Å; F362-S366 PolarHBondContact O-OG 2.96Å; G363-S366 WeakPolarHBondContact O-CB 3.44Å; G363-S366 PolarHBondContact O-N 2.8Å; V364-S366 VanDerWaalsContact C-N 3.34Å; V364-S366 PolarHBondContact O-N 3.18Å; S366-T369 WeakPolarHBondContact O-CB 3.43Å; S366-T369 PolarHBondContact O-N 3.29Å; S366-I370 WeakPolarHBondContact O-CG1 3.41Å; S366-I370 PolarHBondContact O-N 2.71Å
367V97.1Very high93.2Very high0 Ų018.2 Ų18.20%011%0.107CC..Hα-helixtrans-63.5-42.7176.8179.20000110.9Q174 L175 R176 Y333 G363 V364 T369 I370 K371 L537Q174-V367 WeakPolarHBondContact O-CG2 3.41Å; L175-V367 WeakPolarHBondContact O-CG1 3.22Å; R176-V367 HydrophobicContact CB-CG1 4.36Å; R176-V367 HydrophobicContact CG-CG1 4.24Å; Y333-V367 HydrophobicContact CE2-CG2 3.94Å; G363-V367 WeakPolarHBondContact O-CG2 3.49Å; G363-V367 PolarHBondContact O-N 3.42Å; V364-V367 PolarHBondContact O-N 2.98Å; V367-T369 VanDerWaalsContact C-N 3.31Å; V367-T369 PolarHBondContact O-N 2.91Å; V367-I370 PolarHBondContact O-N 2.56Å; V367-K371 HydrophobicContact CG1-CD 3.94Å; V367-K371 HydrophobicContact CG1-CG 4.19Å; V367-K371 WeakPolarHBondContact O-CB 3.46Å; V367-K371 WeakPolarHBondContact O-CG 3.39Å; V367-K371 PolarHBondContact O-N 3.47Å; V367-L537 HydrophobicContact CB-CD2 4.24Å; V367-L537 HydrophobicContact CG1-CD2 3.8Å
368A96.8Very high93.9Very high0 Ų016.8 Ų16.80%010%0.095CC..Hα-helixtrans-59.3-44175.100000111.1V364 I370 K371 F372 M404 L537V364-A368 VanDerWaalsContact O-CB 3.31Å; V364-A368 WeakPolarHBondContact O-CB 3.45Å; V364-A368 PolarHBondContact O-N 3.36Å; A368-I370 PolarHBondContact O-N 3.34Å; A368-K371 PolarHBondContact O-N 2.8Å; A368-F372 WeakPolarHBondContact O-CB 3.43Å; A368-F372 WeakPolarHBondContact O-CD2 3.48Å; A368-F372 PolarHBondContact O-N 3.46Å; A368-M404 HydrophobicContact CB-CG 3.64Å; A368-M404 HydrophobicContact CB-SD 4.17Å; A368-L537 HydrophobicContact CB-CD1 3.89Å; A368-L537 HydrophobicContact CB-CD2 4.03Å
369T94.9Very high94.4Very high2 Ų215.2 Ų15.21%0.0129%0.089CC..Hα-helixtrans-58.4-51.5175.7-58.40000111.1L365 S366 V367 K371 F372 E373 I392 T401L365-T369 WeakPolarHBondContact O-CB 3.42Å; L365-T369 PolarHBondContact O-N 3.45Å; L365-T369 PolarHBondContact O-OG1 3.41Å; S366-T369 WeakPolarHBondContact O-CB 3.43Å; S366-T369 PolarHBondContact O-N 3.29Å; V367-T369 VanDerWaalsContact C-N 3.31Å; V367-T369 PolarHBondContact O-N 2.91Å; T369-K371 PolarHBondContact O-N 3.35Å; T369-F372 PolarHBondContact O-N 3.08Å; T369-E373 VanDerWaalsContact O-CG 3.31Å; T369-E373 WeakPolarHBondContact O-CG 3.42Å; T369-E373 PolarHBondContact O-N 3.33Å; T369-I392 HydrophobicContact CG2-CG1 3.95Å; T369-T401 PolarHBondContact OG1-OG1 2.83Å
370I95.9Very high94.7Very high1 Ų115.5 Ų15.51%0.0059%0.086CC..Hα-helixtrans-59.9-48.9-179.7-67.2163.8000111.2L137 L141 L175 Y332 Y333 R336 S366 V367 A368 E373 M374L137-I370 HydrophobicContact CD2-CG2 4.41Å; L141-I370 HydrophobicContact CD1-CG2 4.17Å; L175-I370 HydrophobicContact CD2-CD1 4.19Å; L175-I370 HydrophobicContact CD2-CG2 4.46Å; Y332-I370 HydrophobicContact CD1-CG1 4.21Å; Y332-I370 HydrophobicContact CD1-CG2 4.38Å; Y332-I370 HydrophobicContact CE1-CB 4.39Å; Y332-I370 HydrophobicContact CE1-CG1 3.9Å; Y332-I370 HydrophobicContact CE1-CG2 4.08Å; Y333-I370 HydrophobicContact CD2-CD1 3.67Å; Y333-I370 HydrophobicContact CG-CD1 4.31Å; R336-I370 HydrophobicContact CB-CD1 4.32Å; R336-I370 HydrophobicContact CB-CG1 4.14Å; R336-I370 HydrophobicContact CG-CG1 3.94Å; S366-I370 WeakPolarHBondContact O-CG1 3.41Å; S366-I370 PolarHBondContact O-N 2.71Å; V367-I370 PolarHBondContact O-N 2.56Å; A368-I370 PolarHBondContact O-N 3.34Å; I370-E373 PolarHBondContact O-N 2.91Å; I370-M374 HydrophobicContact CG2-CG 4.31Å; I370-M374 WeakPolarHBondContact O-CB 3.36Å; I370-M374 VanDerWaalsContact O-CG 3.25Å; I370-M374 WeakPolarHBondContact O-CG 3.38Å; I370-M374 PolarHBondContact O-N 3.4Å
371K97.3Very high94.9Very high1 Ų114 Ų140%0.0049%0.085CC..Hα-helixtrans-63.4-44.3-178.6-74.4-172.5174.7178.20111.5L141 L175 R176 V367 A368 T369 E373 M374 L375 L535 L537L141-K371 HydrophobicContact CD2-CG 4.28Å; L175-K371 WeakPolarHBondContact O-CE 3.36Å; L175-K371 PolarHBondContact O-NZ 3.36Å; R176-K371 PolarHBondContact O-NZ 3.04Å; V367-K371 HydrophobicContact CG1-CD 3.94Å; V367-K371 HydrophobicContact CG1-CG 4.19Å; V367-K371 WeakPolarHBondContact O-CB 3.46Å; V367-K371 WeakPolarHBondContact O-CG 3.39Å; V367-K371 PolarHBondContact O-N 3.47Å; A368-K371 PolarHBondContact O-N 2.8Å; T369-K371 PolarHBondContact O-N 3.35Å; K371-E373 VanDerWaalsContact C-N 3.35Å; K371-E373 PolarHBondContact O-N 2.94Å; K371-M374 PolarHBondContact O-N 3.36Å; K371-L375 HydrophobicContact CB-CD1 4.34Å; K371-L375 WeakPolarHBondContact O-CA 3.31Å; K371-L375 WeakPolarHBondContact O-CB 3.19Å; K371-L375 WeakPolarHBondContact O-CG 3.15Å; K371-L375 PolarHBondContact O-N 3.47Å; K371-L535 WeakPolarHBondContact CD-O 3.27Å; K371-L535 WeakPolarHBondContact CE-O 3.47Å; K371-L535 PolarHBondContact NZ-O 3.31Å; K371-L537 HydrophobicContact CD-CD2 4.18Å; K371-L537 HydrophobicContact CD-CG 4.28Å
372F95.7Very high95Very high4 Ų417 Ų172%0.01810%0.099CC..Hα-helixtrans-65.9-36.5177-85.7-100.5000112.2A368 T369 S376 G400 V403 C483 L486 V487 L535 L537A368-F372 WeakPolarHBondContact O-CB 3.43Å; A368-F372 WeakPolarHBondContact O-CD2 3.48Å; A368-F372 PolarHBondContact O-N 3.46Å; T369-F372 PolarHBondContact O-N 3.08Å; F372-S376 WeakPolarHBondContact O-CB 3.35Å; F372-S376 PolarHBondContact O-N 3.5Å; F372-S376 VanDerWaalsContact O-N 3.07Å; F372-S376 PolarHBondContact O-OG 2.85Å; F372-G400 VanDerWaalsContact CG-CA 3.48Å; F372-V403 HydrophobicContact CE1-CG2 3.75Å; F372-V403 HydrophobicContact CZ-CB 4.02Å; F372-V403 HydrophobicContact CZ-CG1 4.09Å; F372-V403 HydrophobicContact CZ-CG2 3.73Å; F372-C483 HydrophobicContact CD1-CB 3.99Å; F372-C483 HydrophobicContact CE1-CB 4.08Å; F372-L486 HydrophobicContact CE1-CB 4.18Å; F372-L486 HydrophobicContact CZ-CB 4Å; F372-L486 HydrophobicContact CZ-CD1 3.88Å; F372-V487 HydrophobicContact CD1-CG2 3.93Å; F372-V487 HydrophobicContact CE1-CG2 3.81Å; F372-L535 HydrophobicContact CD2-CD1 4.4Å; F372-L535 HydrophobicContact CE2-CD1 3.73Å; F372-L535 HydrophobicContact CZ-CD1 3.93Å; F372-L537 HydrophobicContact CD2-CD1 4.42Å; F372-L537 HydrophobicContact CE2-CD1 3.95Å
373E93.8Very high95Very high25 Ų2517.2 Ų17.212%0.11710%0.1CC..Hα-helixtrans-68.7-39.8176.2-71.1179.3138.700112.5Y332 R336 T369 I370 K371 L383 L385 N391Y332-E373 PolarHBondContact OH-OE2 3.34Å; R336-E373 IonicContact CZ-OE1 3.79Å; R336-E373 VanDerWaalsContact CZ-OE1 3.31Å; R336-E373 IonicContact CZ-OE2 3.31Å; R336-E373 VanDerWaalsContact CZ-OE2 3.28Å; R336-E373 IonicContact NE-OE1 3.49Å; R336-E373 IonicContact NE-OE2 3.73Å; R336-E373 PolarHBondContact NE-OE2 2.92Å; R336-E373 IonicContact NH2-OE1 2.8Å; R336-E373 PolarHBondContact NH2-OE1 3.41Å; R336-E373 IonicContact NH2-OE2 2.7Å; R336-E373 PolarHBondContact NH2-OE2 3.26Å; T369-E373 VanDerWaalsContact O-CG 3.31Å; T369-E373 WeakPolarHBondContact O-CG 3.42Å; T369-E373 PolarHBondContact O-N 3.33Å; I370-E373 PolarHBondContact O-N 2.91Å; K371-E373 VanDerWaalsContact C-N 3.35Å; K371-E373 PolarHBondContact O-N 2.94Å; E373-L383 VanDerWaalsContact O-CD1 3.31Å; E373-L383 WeakPolarHBondContact O-CD1 3.4Å; E373-L385 HydrophobicContact CB-CD2 4.02Å; E373-N391 VanDerWaalsContact OE1-CB 3.27Å; E373-N391 WeakPolarHBondContact OE1-CB 3.21Å; E373-N391 PolarHBondContact OE1-ND2 3.42Å
374M95.2Very high94.8Very high0 Ų023.1 Ų23.10%012%0.123CC..Hα-helixtrans-79.3-34.7-177.4-67.9-69-17600113.7L134 L137 R138 L141 V317 Y332 I370 K371 L383 L385L134-M374 HydrophobicContact CB-CE 4.43Å; L137-M374 HydrophobicContact CD2-CE 4Å; R138-M374 HydrophobicContact CB-SD 4.2Å; R138-M374 PolarHBondContact NE-O 3Å; L141-M374 HydrophobicContact CD1-CB 3.7Å; L141-M374 HydrophobicContact CD1-CG 3.81Å; V317-M374 HydrophobicContact CG1-CE 4.39Å; V317-M374 HydrophobicContact CG1-SD 4.41Å; V317-M374 HydrophobicContact CG2-SD 4.44Å; Y332-M374 HydrophobicContact CD1-CE 3.99Å; Y332-M374 HydrophobicContact CE1-CE 3.61Å; I370-M374 HydrophobicContact CG2-CG 4.31Å; I370-M374 WeakPolarHBondContact O-CB 3.36Å; I370-M374 VanDerWaalsContact O-CG 3.25Å; I370-M374 WeakPolarHBondContact O-CG 3.38Å; I370-M374 PolarHBondContact O-N 3.4Å; K371-M374 PolarHBondContact O-N 3.36Å; M374-L383 HydrophobicContact SD-CD2 3.6Å; M374-L383 VanDerWaalsContact SD-CD2 3.6Å; M374-L385 HydrophobicContact CE-CD1 3.67Å; M374-L385 HydrophobicContact CE-CD2 4.34Å; M374-L385 HydrophobicContact SD-CD2 4.42Å
375L96.3Very high94.5Very high2 Ų223.1 Ų23.11%0.0112%0.124CC..Hα-helixtrans-102.8-15.6-171.7-59.1175000113.5L141 V142 H145 K371 T377 E480 L535L141-L375 HydrophobicContact CB-CD2 4.05Å; L141-L375 HydrophobicContact CB-CG 4.42Å; V142-L375 HydrophobicContact CG2-CD2 3.73Å; H145-L375 HydrophobicContact CB-CD1 4.31Å; K371-L375 HydrophobicContact CB-CD1 4.34Å; K371-L375 WeakPolarHBondContact O-CA 3.31Å; K371-L375 WeakPolarHBondContact O-CB 3.19Å; K371-L375 WeakPolarHBondContact O-CG 3.15Å; K371-L375 PolarHBondContact O-N 3.47Å; L375-T377 PolarHBondContact O-N 3.43Å; L375-T377 VanDerWaalsContact O-N 3.13Å; L375-E480 WeakPolarHBondContact O-CA 3.45Å; L375-E480 WeakPolarHBondContact O-CB 3.46Å; L375-L535 HydrophobicContact CD1-CD2 3.82Å
376S94.4Very high93.9Very high33 Ų3325 Ų2523%0.23114%0.139CC..SBendtrans-69.8-8.9177.9-62.50000114.6F372 C483 K484F372-S376 WeakPolarHBondContact O-CB 3.35Å; F372-S376 PolarHBondContact O-N 3.5Å; F372-S376 VanDerWaalsContact O-N 3.07Å; F372-S376 PolarHBondContact O-OG 2.85Å; S376-C483 WeakPolarHBondContact OG-CB 3.34Å; S376-K484 WeakPolarHBondContact O-CE 3.44Å
377T94.2Very high93.2Very high46 Ų4627.4 Ų27.428%0.28215%0.152SC..SBendtrans-110.7133.5176.4-59.20000109.4R138 L375R138-T377 PolarHBondContact NH2-O 2.85Å; L375-T377 PolarHBondContact O-N 3.43Å; L375-T377 VanDerWaalsContact O-N 3.13Å
378A94.8Very high92Very high20 Ų2030.1 Ų30.117%0.16517%0.174CC..  trans-49.8137.3179.400000110.9R138 Q380 S381 E480R138-A378 PolarHBondContact NH2-O 3.29Å; A378-Q380 PolarHBondContact O-N 3.37Å; A378-Q380 VanDerWaalsContact O-N 3.12Å; A378-S381 WeakPolarHBondContact O-CB 3.4Å; A378-S381 PolarHBondContact O-N 3.49Å; A378-E480 HydrophobicContact CB-CG 4.28Å
379P94.4Very high90.4Very high0 Ų034.3 Ų34.30%020%0.196CC..THydrogen-bonded Turntrans-50.2-43.8-171.2-30.435.4000113.6R138 V142 L312 C314 G315 S381 A477 T479R138-P379 PolarHBondContact NH1-O 2.98Å; R138-P379 PolarHBondContact NH2-O 3.23Å; V142-P379 HydrophobicContact CG1-CB 4.34Å; V142-P379 HydrophobicContact CG1-CG 4.12Å; V142-P379 HydrophobicContact CG2-CB 4.39Å; V142-P379 HydrophobicContact CG2-CG 4.26Å; L312-P379 HydrophobicContact CD1-CB 4.36Å; C314-P379 CarbonylContact C-O 3.58Å; C314-P379 VanDerWaalsContact CA-O 3.26Å; C314-P379 WeakPolarHBondContact CA-O 3.39Å; G315-P379 PolarHBondContact N-O 3.45Å; P379-S381 VanDerWaalsContact C-N 3.26Å; P379-S381 PolarHBondContact O-N 3Å; P379-A477 WeakPolarHBondContact CD-O 3.47Å; P379-T479 WeakPolarHBondContact CG-OG1 3.07Å
380Q93.3Very high88.9Confident75 Ų7542.4 Ų42.435%0.3523%0.231SC..THydrogen-bonded Turntrans-73-20.4-173.3-49.176.419.900112.5I313 A378I313-Q380 WeakPolarHBondContact O-CA 3.23Å; A378-Q380 PolarHBondContact O-N 3.37Å; A378-Q380 VanDerWaalsContact O-N 3.12Å
381S94.9Very high87Confident59 Ų5944.8 Ų44.841%0.41324%0.244SC..SBendtrans-79.9145.6-179.3-60.90000111.4R138 A378 P379R138-S381 PolarHBondContact NH1-O 3.37Å; R138-S381 PolarHBondContact NH2-O 3.33Å; A378-S381 WeakPolarHBondContact O-CB 3.4Å; A378-S381 PolarHBondContact O-N 3.49Å; P379-S381 VanDerWaalsContact C-N 3.26Å; P379-S381 PolarHBondContact O-N 3Å
382Q94.1Very high85.3Confident74 Ų7445.1 Ų45.135%0.34625%0.246SC..  trans-59.8137.8169.3178.5179.11.400111.1P316 F384P316-Q382 HydrophobicContact CG-CB 4.35Å; P316-Q382 HydrophobicContact CG-CG 4.09Å; Q382-F384 HydrophobicContact CG-CD2 4.46Å; Q382-F384 HydrophobicContact CG-CE2 4.03Å; Q382-F384 HydrophobicContact CG-CZ 4.33Å
383L92.3Very high83.6Confident8 Ų847 Ų474%0.04226%0.26CS..EExtended strand (participates in β ladder)trans-109.1134.3177.6177.965.2000110.9P316 V317 K318 E373 M374 L385P316-L383 PolarHBondContact O-N 3.47Å; V317-L383 HydrophobicContact CG1-CD2 4.17Å; V317-L383 HydrophobicContact CG2-CB 4.29Å; V317-L383 HydrophobicContact CG2-CD2 4.15Å; K318-L383 PolarHBondContact N-O 3.01Å; E373-L383 VanDerWaalsContact O-CD1 3.31Å; E373-L383 WeakPolarHBondContact O-CD1 3.4Å; M374-L383 HydrophobicContact SD-CD2 3.6Å; M374-L383 VanDerWaalsContact SD-CD2 3.6Å; L383-L385 HydrophobicContact CD2-CD2 3.85Å; L383-L385 HydrophobicContact CD2-CG 4.43Å; L383-L385 HydrophobicContact CG-CD2 4.13Å
384F89.8Confident81.8Confident132 Ų13246.8 Ų46.858%0.57926%0.26SS*.EExtended strand (participates in β ladder)trans-111.3117.1171.4-69.1-85.8000110.4K318 Q382K318-F384 HydrophobicContact CB-CD1 3.93Å; K318-F384 HydrophobicContact CB-CE1 4.08Å; K318-F384 HydrophobicContact CD-CE1 4.27Å; K318-F384 CarbonylContact O-C 3.41Å; K318-F384 VanDerWaalsContact O-CA 3.31Å; K318-F384 WeakPolarHBondContact O-CA 3.31Å; Q382-F384 HydrophobicContact CG-CD2 4.46Å; Q382-F384 HydrophobicContact CG-CE2 4.03Å; Q382-F384 HydrophobicContact CG-CZ 4.33Å
385L88.9Confident79.8Confident2 Ų255.7 Ų55.71%0.0130%0.299CS..EExtended strand (participates in β ladder)trans-89.9119.3175.4-62.6178000110L134 V317 K318 A320 Y332 E373 M374 L383L134-L385 HydrophobicContact CD1-CD1 3.82Å; V317-L385 HydrophobicContact CG1-CD1 3.46Å; V317-L385 VanDerWaalsContact CG1-CD1 3.46Å; V317-L385 HydrophobicContact CG1-CG 3.75Å; K318-L385 PolarHBondContact O-N 3.28Å; A320-L385 PolarHBondContact N-O 2.95Å; Y332-L385 HydrophobicContact CE1-CD1 4.33Å; Y332-L385 HydrophobicContact CE2-CD1 4.19Å; E373-L385 HydrophobicContact CB-CD2 4.02Å; M374-L385 HydrophobicContact CE-CD1 3.67Å; M374-L385 HydrophobicContact CE-CD2 4.34Å; M374-L385 HydrophobicContact SD-CD2 4.42Å; L383-L385 HydrophobicContact CD2-CD2 3.85Å; L383-L385 HydrophobicContact CD2-CG 4.43Å; L383-L385 HydrophobicContact CG-CD2 4.13Å
386A82.8Confident78.1Confident41 Ų4156.8 Ų56.834%0.33931%0.311SS..  trans-89.5117.1169.800000109.3R336 A388 N391R336-A386 PolarHBondContact NH2-O 2.87Å; A386-A388 PolarHBondContact O-N 3.24Å; A386-N391 PolarHBondContact O-ND2 3.38Å
387L79.8Confident76.5Confident51 Ų5158.5 Ų58.527%0.26732%0.32SS..  trans-75.5-5.3178.2-60.9-174.6000113.5V319 M327 Y332 F335 Q339V319-L387 HydrophobicContact CG1-CD1 3.52Å; V319-L387 HydrophobicContact CG1-CD2 3.9Å; V319-L387 HydrophobicContact CG1-CG 3.53Å; M327-L387 HydrophobicContact CE-CD2 4.15Å; Y332-L387 HydrophobicContact CE2-CD2 4.28Å; F335-L387 HydrophobicContact CD1-CD2 4.23Å; F335-L387 HydrophobicContact CE1-CB 3.97Å; F335-L387 HydrophobicContact CE1-CD2 3.8Å; F335-L387 HydrophobicContact CE1-CG 4.38Å; F335-L387 HydrophobicContact CZ-CB 3.86Å; F335-L387 HydrophobicContact CZ-CD2 4.37Å; F335-L387 WeakPolarHBondContact CZ-O 3.5Å; Q339-L387 PolarHBondContact NE2-O 2.8Å
388A73.2Confident75.3Confident56 Ų5664 Ų6446%0.46334%0.34SS..SBendtrans-63.7148.3-179.500000112.9A386 K390A386-A388 PolarHBondContact O-N 3.24Å; A388-K390 PolarHBondContact O-N 2.99Å
389D63.1Low74.8Confident88 Ų8863.6 Ų63.647%0.47134%0.336SS..G310 helixtrans-61-13.1-178.8-66.9-14.6000114.1Q339 K342 N391 I392Q339-D389 PolarHBondContact NE2-OD1 2.86Å; K342-D389 IonicContact NZ-OD2 3.8Å; D389-N391 PolarHBondContact O-N 2.99Å; D389-N391 VanDerWaalsContact O-N 3.14Å; D389-I392 PolarHBondContact O-N 2.62Å; D389-I392 VanDerWaalsContact O-N 3.15Å
390K62.3Low74.6Confident172 Ų17263.7 Ų63.775%0.74834%0.336SS*.G310 helixtrans-58.2-29.2-178.1-69.3-174.3-179.71790113.2A388 I392A388-K390 PolarHBondContact O-N 2.99Å; K390-I392 VanDerWaalsContact C-N 3.27Å; K390-I392 PolarHBondContact O-N 3.26Å
391N57.7Low74.5Confident52 Ų5260.4 Ų60.428%0.27832%0.321SS..G310 helixtrans-78.5-9.5-176.6-67.6-5.6000113.8E373 A386 D389 S399E373-N391 VanDerWaalsContact OE1-CB 3.27Å; E373-N391 WeakPolarHBondContact OE1-CB 3.21Å; E373-N391 PolarHBondContact OE1-ND2 3.42Å; A386-N391 PolarHBondContact O-ND2 3.38Å; D389-N391 PolarHBondContact O-N 2.99Å; D389-N391 VanDerWaalsContact O-N 3.14Å; N391-S399 WeakPolarHBondContact O-CB 3.26Å
392I60.7Low74.4Confident8 Ų858 Ų584%0.04130%0.303CS..G310 helixtrans-105.3-5.6-178.2-68.7166.6000111.6Q339 V340 A343 T369 D389 K390 T394Q339-I392 HydrophobicContact CB-CD1 3.07Å; Q339-I392 HydrophobicContact CB-CG1 4.48Å; Q339-I392 HydrophobicContact CG-CD1 3.92Å; V340-I392 HydrophobicContact CB-CG2 4.5Å; V340-I392 HydrophobicContact CG2-CD1 4.48Å; V340-I392 HydrophobicContact CG2-CG1 4.5Å; V340-I392 HydrophobicContact CG2-CG2 3.88Å; A343-I392 HydrophobicContact CB-CG2 3.81Å; T369-I392 HydrophobicContact CG2-CG1 3.95Å; D389-I392 PolarHBondContact O-N 2.62Å; D389-I392 VanDerWaalsContact O-N 3.15Å; K390-I392 VanDerWaalsContact C-N 3.27Å; K390-I392 PolarHBondContact O-N 3.26Å; I392-T394 PolarHBondContact O-N 3.05Å
393S59Low74.5Confident43 Ų4354.5 Ų54.530%0.30129%0.287SS..  trans-68.8131.8177.7-174.50000111.8K395 G396 S399S393-K395 PolarHBondContact O-N 3.05Å; S393-K395 WeakPolarHBondContact OG-CB 3.44Å; S393-K395 PolarHBondContact OG-N 3Å; S393-G396 PolarHBondContact O-N 3.01Å; S393-G396 VanDerWaalsContact O-N 3.12Å; S393-S399 PolarHBondContact O-OG 3.08Å
394T56.2Low74.7Confident20 Ų2054.1 Ų54.112%0.12329%0.285CS..THydrogen-bonded Turntrans-70.1-9.7165.360.60000112.6K347 I392 T401 F402 Y405K347-T394 PolarHBondContact NZ-OG1 2.85Å; I392-T394 PolarHBondContact O-N 3.05Å; T394-T401 HydrophobicContact CG2-CG2 3.71Å; T394-F402 WeakPolarHBondContact O-CD2 3.31Å; T394-Y405 HydrophobicContact CG2-CD2 4.47Å; T394-Y405 HydrophobicContact CG2-CG 4.31Å
395K54.7Low74.9Confident188 Ų18851.5 Ų51.582%0.81727%0.272SS*.THydrogen-bonded Turntrans-87.7-17.8171-59-176.7176.7-179.50111.9S393 T397S393-K395 PolarHBondContact O-N 3.05Å; S393-K395 WeakPolarHBondContact OG-CB 3.44Å; S393-K395 PolarHBondContact OG-N 3Å; K395-T397 PolarHBondContact O-N 3.13Å
396G60.5Low75.3Confident25 Ų2551.4 Ų51.426%0.25827%0.271SS..  trans-76.2109.2174.600000109.7S393 K398 S399 F402S393-G396 PolarHBondContact O-N 3.01Å; S393-G396 VanDerWaalsContact O-N 3.12Å; G396-K398 PolarHBondContact O-N 3.27Å; G396-S399 PolarHBondContact O-N 2.9Å; G396-S399 PolarHBondContact O-OG 2.84Å; G396-F402 VanDerWaalsContact O-CB 3.26Å; G396-F402 WeakPolarHBondContact O-CB 3.41Å
397T59.9Low76Confident68 Ų6849.5 Ų49.542%0.41726%0.255SS..THydrogen-bonded Turntrans-69.7-0.8-171.2530000115K395 F402 V487 M491K395-T397 PolarHBondContact O-N 3.13Å; T397-F402 HydrophobicContact CG2-CZ 4.46Å; T397-F402 WeakPolarHBondContact O-CD1 3.42Å; T397-V487 WeakPolarHBondContact O-CG1 3.49Å; T397-M491 WeakPolarHBondContact O-CE 3.38Å
398K68.4Low76.7Confident163 Ų16347.1 Ų47.171%0.70924%0.243SC*.THydrogen-bonded Turntrans-117.910.2-175-59.5-174.4-179.5-177.70114.3G396 V487 M491G396-K398 PolarHBondContact O-N 3.27Å; K398-V487 HydrophobicContact CG-CG1 4.44Å; K398-M491 HydrophobicContact CG-CE 3.85Å
399S84.1Confident77.8Confident11 Ų1146.3 Ų46.38%0.07723%0.228CC..SBendtrans-98.2154.2-176.365.40000112.9N391 S393 G396 T401 F402 V403N391-S399 WeakPolarHBondContact O-CB 3.26Å; S393-S399 PolarHBondContact O-OG 3.08Å; G396-S399 PolarHBondContact O-N 2.9Å; G396-S399 PolarHBondContact O-OG 2.84Å; S399-T401 PolarHBondContact O-N 2.65Å; S399-F402 WeakPolarHBondContact O-CB 3.43Å; S399-F402 PolarHBondContact O-N 3.22Å; S399-F402 VanDerWaalsContact O-N 3.15Å; S399-F402 WeakPolarHBondContact OG-CB 3.43Å; S399-F402 PolarHBondContact OG-N 2.87Å; S399-F402 VanDerWaalsContact OG-N 3.1Å; S399-V403 PolarHBondContact O-N 3.39Å
400G90.6Very high79.4Confident1 Ų142.1 Ų42.11%0.0121%0.206CC..Hα-helixtrans-57.1-40.4169.200000111.7F372 F402 V403 M404F372-G400 VanDerWaalsContact CG-CA 3.48Å; G400-F402 VanDerWaalsContact C-N 3.29Å; G400-F402 PolarHBondContact O-N 3.4Å; G400-V403 WeakPolarHBondContact O-CB 3.15Å; G400-V403 PolarHBondContact O-N 3.29Å; G400-M404 VanDerWaalsContact O-CG 3.31Å; G400-M404 WeakPolarHBondContact O-CG 3.13Å; G400-M404 PolarHBondContact O-N 3.37Å
401T92Very high81Confident6 Ų635 Ų354%0.03718%0.179CC..Hα-helixtrans-57.2-38.4175.1-43.60000112.7L365 T369 T394 S399 M404 Y405L365-T401 HydrophobicContact CD2-CG2 4.06Å; T369-T401 PolarHBondContact OG1-OG1 2.83Å; T394-T401 HydrophobicContact CG2-CG2 3.71Å; S399-T401 PolarHBondContact O-N 2.65Å; T401-M404 PolarHBondContact O-N 2.87Å; T401-Y405 VanDerWaalsContact O-CB 3.3Å; T401-Y405 WeakPolarHBondContact O-CB 3.26Å; T401-Y405 PolarHBondContact O-N 2.86Å
402F93.1Very high82.8Confident9 Ų936 Ų364%0.03919%0.187CC..Hα-helixtrans-65.9-40175.4172.3-108.7000112.3T394 G396 T397 S399 G400 Y405 N406 M491T394-F402 WeakPolarHBondContact O-CD2 3.31Å; G396-F402 VanDerWaalsContact O-CB 3.26Å; G396-F402 WeakPolarHBondContact O-CB 3.41Å; T397-F402 HydrophobicContact CG2-CZ 4.46Å; T397-F402 WeakPolarHBondContact O-CD1 3.42Å; S399-F402 WeakPolarHBondContact O-CB 3.43Å; S399-F402 PolarHBondContact O-N 3.22Å; S399-F402 VanDerWaalsContact O-N 3.15Å; S399-F402 WeakPolarHBondContact OG-CB 3.43Å; S399-F402 PolarHBondContact OG-N 2.87Å; S399-F402 VanDerWaalsContact OG-N 3.1Å; G400-F402 VanDerWaalsContact C-N 3.29Å; G400-F402 PolarHBondContact O-N 3.4Å; F402-Y405 PolarHBondContact O-N 2.92Å; F402-N406 WeakPolarHBondContact CD2-ND2 3.43Å; F402-N406 WeakPolarHBondContact CE2-ND2 3.31Å; F402-N406 VanDerWaalsContact CZ-ND2 3.27Å; F402-N406 WeakPolarHBondContact CZ-ND2 3.34Å; F402-N406 PolarHBondContact O-N 3.33Å; F402-N406 VanDerWaalsContact O-N 3.12Å; F402-N406 PolarHBondContact O-ND2 2.72Å; F402-M491 HydrophobicContact CE1-CG 4.02Å
403V96.5Very high84.5Confident0 Ų035.8 Ų35.80%019%0.186CC..Hα-helixtrans-63.5-48.2174.7179.30000110.4F372 S399 G400 Y405 N406 C407 L486 V487 L528 L532F372-V403 HydrophobicContact CE1-CG2 3.75Å; F372-V403 HydrophobicContact CZ-CB 4.02Å; F372-V403 HydrophobicContact CZ-CG1 4.09Å; F372-V403 HydrophobicContact CZ-CG2 3.73Å; S399-V403 PolarHBondContact O-N 3.39Å; G400-V403 WeakPolarHBondContact O-CB 3.15Å; G400-V403 PolarHBondContact O-N 3.29Å; V403-Y405 VanDerWaalsContact C-N 3.29Å; V403-Y405 PolarHBondContact O-N 2.78Å; V403-N406 PolarHBondContact O-N 3.45Å; V403-N406 VanDerWaalsContact O-N 3.14Å; V403-C407 PolarHBondContact O-N 3.44Å; V403-L486 HydrophobicContact CG1-CB 4.06Å; V403-L486 HydrophobicContact CG2-CB 4.35Å; V403-V487 HydrophobicContact CG2-CG2 4.15Å; V403-L528 HydrophobicContact CG1-CD1 3.82Å; V403-L532 HydrophobicContact CG1-CD2 4.03Å
404M96Very high86.4Confident0 Ų035.1 Ų35.10%018%0.178CC..Hα-helixtrans-61.3-37.5178.4-61.3-50-70.100112.2V364 L365 A368 G400 T401 C407 A408 L532 P538 L540V364-M404 HydrophobicContact CG1-CE 3.48Å; V364-M404 VanDerWaalsContact CG1-CE 3.48Å; L365-M404 HydrophobicContact CD2-CB 3.61Å; L365-M404 HydrophobicContact CD2-CG 4.03Å; A368-M404 HydrophobicContact CB-CG 3.64Å; A368-M404 HydrophobicContact CB-SD 4.17Å; G400-M404 VanDerWaalsContact O-CG 3.31Å; G400-M404 WeakPolarHBondContact O-CG 3.13Å; G400-M404 PolarHBondContact O-N 3.37Å; T401-M404 PolarHBondContact O-N 2.87Å; M404-C407 WeakPolarHBondContact O-CB 3.21Å; M404-C407 PolarHBondContact O-N 3.39Å; M404-A408 PolarHBondContact O-N 3.3Å; M404-L532 HydrophobicContact SD-CD1 4.18Å; M404-L532 HydrophobicContact SD-CD2 3.7Å; M404-P538 WeakPolarHBondContact CE-O 3.5Å; M404-L540 HydrophobicContact CB-CD1 4.12Å; M404-L540 HydrophobicContact CE-CB 4.41Å; M404-L540 HydrophobicContact CE-CD1 3.92Å; M404-L540 HydrophobicContact CE-CG 3.62Å
405Y94.5Very high88.3Confident78 Ų7838.7 Ų38.731%0.30619%0.193SC..Hα-helixtrans-61.6-43.9174172.8-106.5000112.8T394 T401 F402 V403 C407 A408 R409 I543T394-Y405 HydrophobicContact CG2-CD2 4.47Å; T394-Y405 HydrophobicContact CG2-CG 4.31Å; T401-Y405 VanDerWaalsContact O-CB 3.3Å; T401-Y405 WeakPolarHBondContact O-CB 3.26Å; T401-Y405 PolarHBondContact O-N 2.86Å; F402-Y405 PolarHBondContact O-N 2.92Å; V403-Y405 VanDerWaalsContact C-N 3.29Å; V403-Y405 PolarHBondContact O-N 2.78Å; Y405-C407 VanDerWaalsContact C-N 3.32Å; Y405-A408 PolarHBondContact O-N 3.4Å; Y405-R409 HydrophobicContact CE1-CG 4.13Å; Y405-R409 HydrophobicContact CE2-CG 4.23Å; Y405-R409 WeakPolarHBondContact O-CG 3.42Å; Y405-R409 PolarHBondContact O-N 3.1Å; Y405-I543 HydrophobicContact CD2-CG2 3.6Å; Y405-I543 HydrophobicContact CE2-CG2 4.34Å
406N96.3Very high90.2Very high0 Ų032.3 Ų32.30%017%0.172CC..Hα-helixtrans-69.8-30.9177-74.5-72.5000112.5F402 V403 R409 L410 F493F402-N406 WeakPolarHBondContact CD2-ND2 3.43Å; F402-N406 WeakPolarHBondContact CE2-ND2 3.31Å; F402-N406 VanDerWaalsContact CZ-ND2 3.27Å; F402-N406 WeakPolarHBondContact CZ-ND2 3.34Å; F402-N406 PolarHBondContact O-N 3.33Å; F402-N406 VanDerWaalsContact O-N 3.12Å; F402-N406 PolarHBondContact O-ND2 2.72Å; V403-N406 PolarHBondContact O-N 3.45Å; V403-N406 VanDerWaalsContact O-N 3.14Å; N406-R409 PolarHBondContact O-N 3.06Å; N406-L410 PolarHBondContact O-N 2.98Å; N406-F493 HydrophobicContact CB-CD1 3.88Å; N406-F493 HydrophobicContact CB-CE1 4.1Å
407C97Very high92Very high0 Ų031.8 Ų31.80%016%0.162CC..Hα-helixtrans-58.9-50.8169.1-174.90000111.2V403 M404 Y405 R409 L410 A411 L528 L532V403-C407 PolarHBondContact O-N 3.44Å; M404-C407 WeakPolarHBondContact O-CB 3.21Å; M404-C407 PolarHBondContact O-N 3.39Å; Y405-C407 VanDerWaalsContact C-N 3.32Å; C407-R409 PolarHBondContact O-N 3.3Å; C407-L410 PolarHBondContact O-N 3.28Å; C407-A411 PolarHBondContact O-N 2.98Å; C407-L528 HydrophobicContact CB-CD2 3.87Å; C407-L532 HydrophobicContact CB-CD1 4.22Å
408A95.4Very high93.7Very high2 Ų233 Ų332%0.01716%0.162CC..Hα-helixtrans-61-41.9177.200000112.2M404 Y405 L410 A411 T412 L540 I543M404-A408 PolarHBondContact O-N 3.3Å; Y405-A408 PolarHBondContact O-N 3.4Å; A408-L410 VanDerWaalsContact C-N 3.34Å; A408-L410 PolarHBondContact O-N 3.49Å; A408-A411 WeakPolarHBondContact O-CB 3.43Å; A408-A411 PolarHBondContact O-N 2.74Å; A408-A411 VanDerWaalsContact O-N 3.13Å; A408-T412 PolarHBondContact O-N 2.92Å; A408-T412 PolarHBondContact O-OG1 2.82Å; A408-L540 WeakPolarHBondContact CA-O 3.33Å; A408-L540 HydrophobicContact CB-CB 4.4Å; A408-I543 HydrophobicContact CB-CB 4.11Å; A408-I543 HydrophobicContact CB-CG2 3.56Å
409R95.1Very high95.1Very high39 Ų3927.3 Ų27.315%0.14714%0.142CC..Hα-helixtrans-58.2-42.7175-74.2177.976.6177.415.8113.1Y405 N406 C407 T412 L413 F493 S494 N498Y405-R409 HydrophobicContact CE1-CG 4.13Å; Y405-R409 HydrophobicContact CE2-CG 4.23Å; Y405-R409 WeakPolarHBondContact O-CG 3.42Å; Y405-R409 PolarHBondContact O-N 3.1Å; N406-R409 PolarHBondContact O-N 3.06Å; C407-R409 PolarHBondContact O-N 3.3Å; R409-T412 PolarHBondContact O-N 3.4Å; R409-L413 WeakPolarHBondContact O-CB 3.31Å; R409-L413 PolarHBondContact O-N 2.98Å; R409-F493 HydrophobicContact CB-CE1 4.42Å; R409-S494 PolarHBondContact NH1-OG 3.46Å; R409-N498 PolarHBondContact NH2-OD1 3.3Å
410L96.9Very high95.6Very high0 Ų028 Ų280%015%0.147CC..Hα-helixtrans-62.8-44.1175-80.8166.9000110.9N406 C407 A408 L413 F414 F493 L521 V524 R525 L528N406-L410 PolarHBondContact O-N 2.98Å; C407-L410 PolarHBondContact O-N 3.28Å; A408-L410 VanDerWaalsContact C-N 3.34Å; A408-L410 PolarHBondContact O-N 3.49Å; L410-L413 WeakPolarHBondContact O-CB 3.5Å; L410-L413 PolarHBondContact O-N 2.98Å; L410-F414 VanDerWaalsContact O-CD2 3.23Å; L410-F414 WeakPolarHBondContact O-CD2 3.38Å; L410-F414 PolarHBondContact O-N 2.86Å; L410-F414 VanDerWaalsContact O-N 3.12Å; L410-F493 HydrophobicContact CD1-CE1 4.39Å; L410-F493 HydrophobicContact CD1-CZ 4.34Å; L410-F493 HydrophobicContact CD2-CD2 4.19Å; L410-F493 HydrophobicContact CD2-CE1 4.33Å; L410-F493 HydrophobicContact CD2-CE2 3.42Å; L410-F493 VanDerWaalsContact CD2-CE2 3.42Å; L410-F493 HydrophobicContact CD2-CZ 3.51Å; L410-F493 HydrophobicContact CG-CE1 3.89Å; L410-F493 HydrophobicContact CG-CE2 3.91Å; L410-F493 HydrophobicContact CG-CZ 3.53Å; L410-L521 HydrophobicContact CD2-CB 4.21Å; L410-L521 HydrophobicContact CD2-CD2 4.45Å; L410-V524 HydrophobicContact CD1-CG1 4.08Å; L410-R525 HydrophobicContact CD1-CB 4.27Å; L410-L528 HydrophobicContact CD1-CD2 3.81Å
411A96.5Very high95.9Very high23 Ų2330.6 Ų30.619%0.1916%0.159CC..Hα-helixtrans-59.7-47.7176.500000111.6C407 A408 L413 F414 E415 S541C407-A411 PolarHBondContact O-N 2.98Å; A408-A411 WeakPolarHBondContact O-CB 3.43Å; A408-A411 PolarHBondContact O-N 2.74Å; A408-A411 VanDerWaalsContact O-N 3.13Å; A411-L413 VanDerWaalsContact C-N 3.33Å; A411-L413 PolarHBondContact O-N 3.15Å; A411-F414 PolarHBondContact O-N 3.39Å; A411-E415 PolarHBondContact O-N 3.28Å; A411-S541 WeakPolarHBondContact CB-O 3.24Å
412T95.8Very high96.1Very high71 Ų7136.3 Ų36.344%0.43619%0.186SC..Hα-helixtrans-60.7-39.2177-51.10000112.6A408 R409 E415 S416A408-T412 PolarHBondContact O-N 2.92Å; A408-T412 PolarHBondContact O-OG1 2.82Å; R409-T412 PolarHBondContact O-N 3.4Å; T412-E415 PolarHBondContact O-N 3.4Å; T412-S416 WeakPolarHBondContact O-CB 3.16Å; T412-S416 PolarHBondContact O-N 3.31Å; T412-S416 PolarHBondContact O-OG 3.47Å
413L96.8Very high96.2Very high4 Ų442.5 Ų42.52%0.02122%0.215CC..Hα-helixtrans-58.5-49.8174.7171.471.7000111.4R409 L410 A411 S416 Y417 Y497 I502 L503 L518 L521R409-L413 WeakPolarHBondContact O-CB 3.31Å; R409-L413 PolarHBondContact O-N 2.98Å; L410-L413 WeakPolarHBondContact O-CB 3.5Å; L410-L413 PolarHBondContact O-N 2.98Å; A411-L413 VanDerWaalsContact C-N 3.33Å; A411-L413 PolarHBondContact O-N 3.15Å; L413-S416 PolarHBondContact O-N 3.3Å; L413-Y417 PolarHBondContact O-N 2.9Å; L413-Y497 HydrophobicContact CB-CE2 4.42Å; L413-Y497 HydrophobicContact CD1-CE2 4.03Å; L413-Y497 HydrophobicContact CD2-CE2 3.95Å; L413-Y497 HydrophobicContact CG-CE2 4.35Å; L413-I502 HydrophobicContact CD1-CB 4.09Å; L413-I502 HydrophobicContact CD1-CG2 4.22Å; L413-I502 HydrophobicContact CD2-CG2 4.33Å; L413-L503 HydrophobicContact CD1-CD1 3.77Å; L413-L503 HydrophobicContact CD1-CG 3.73Å; L413-L518 HydrophobicContact CD2-CD2 4.43Å; L413-L521 HydrophobicContact CD2-CD1 3.5Å
414F97.1Very high96.1Very high30 Ų3045.6 Ų45.613%0.13225%0.246CC..Hα-helixtrans-69.2-36.7-178.4-80.8-70.3000112.4L410 A411 Y417 K418 L518 L521 R522 R525L410-F414 VanDerWaalsContact O-CD2 3.23Å; L410-F414 WeakPolarHBondContact O-CD2 3.38Å; L410-F414 PolarHBondContact O-N 2.86Å; L410-F414 VanDerWaalsContact O-N 3.12Å; A411-F414 PolarHBondContact O-N 3.39Å; F414-Y417 PolarHBondContact O-N 3.45Å; F414-K418 WeakPolarHBondContact O-CB 3.4Å; F414-K418 PolarHBondContact O-N 2.7Å; F414-L518 HydrophobicContact CD1-CD2 4.48Å; F414-L518 HydrophobicContact CE1-CD2 4.05Å; F414-L521 HydrophobicContact CE2-CB 4.44Å; F414-L521 HydrophobicContact CZ-CB 4.25Å; F414-R522 HydrophobicContact CE1-CB 4.33Å; F414-R522 HydrophobicContact CZ-CB 3.84Å; F414-R525 HydrophobicContact CE2-CB 4.47Å
415E96.8Very high96Very high95 Ų9549.8 Ų49.844%0.44427%0.268SS..Hα-helixtrans-65.7-41.9174-166.259.7-152.200111A411 T412 Y417 K418 C419A411-E415 PolarHBondContact O-N 3.28Å; T412-E415 PolarHBondContact O-N 3.4Å; E415-Y417 VanDerWaalsContact C-N 3.33Å; E415-Y417 PolarHBondContact O-N 3.35Å; E415-K418 WeakPolarHBondContact O-CB 3.35Å; E415-K418 PolarHBondContact O-N 2.97Å; E415-K418 IonicContact OE1-NZ 3.09Å; E415-C419 PolarHBondContact O-N 3.47Å; E415-C419 PolarHBondContact O-SG 2.92Å; E415-C419 VanDerWaalsContact O-SG 3.39Å
416S95.8Very high96Very high53 Ų5347.2 Ų47.237%0.37126%0.258SS..Hα-helixtrans-59.9-44175.6-57.60000111.6T412 L413 S420T412-S416 WeakPolarHBondContact O-CB 3.16Å; T412-S416 PolarHBondContact O-N 3.31Å; T412-S416 PolarHBondContact O-OG 3.47Å; L413-S416 PolarHBondContact O-N 3.3Å; S416-S420 WeakPolarHBondContact O-CB 3.09Å; S416-S420 PolarHBondContact O-N 2.96Å; S416-S420 PolarHBondContact O-OG 2.96Å
417Y96.9Very high96Very high15 Ų1549.4 Ų49.46%0.05927%0.273CS..Hα-helixtrans-60.2-47.2174.8170.4-108.8000111.6L413 F414 E415 S420 M421 Y426 P427 F429 L503 M514 F515 L518L413-Y417 PolarHBondContact O-N 2.9Å; F414-Y417 PolarHBondContact O-N 3.45Å; E415-Y417 VanDerWaalsContact C-N 3.33Å; E415-Y417 PolarHBondContact O-N 3.35Å; Y417-S420 PolarHBondContact O-N 3.5Å; Y417-M421 VanDerWaalsContact O-CB 3.31Å; Y417-M421 WeakPolarHBondContact O-CB 3.42Å; Y417-M421 PolarHBondContact O-N 3.14Å; Y417-Y426 HydrophobicContact CD2-CD2 4.03Å; Y417-Y426 HydrophobicContact CD2-CG 4.41Å; Y417-Y426 HydrophobicContact CE2-CD2 4.42Å; Y417-Y426 HydrophobicContact CE2-CG 4.38Å; Y417-P427 PolarHBondContact OH-O 3.4Å; Y417-F429 HydrophobicContact CE1-CB 4.26Å; Y417-F429 HydrophobicContact CE1-CD2 4.2Å; Y417-F429 WeakPolarHBondContact OH-CA 3.32Å; Y417-F429 PolarHBondContact OH-N 3.43Å; Y417-L503 HydrophobicContact CD2-CD2 3.99Å; Y417-L503 HydrophobicContact CG-CD2 4.41Å; Y417-M514 HydrophobicContact CE2-CE 4.12Å; Y417-F515 HydrophobicContact CE2-CE1 4.26Å; Y417-L518 HydrophobicContact CD1-CD1 4.36Å; Y417-L518 HydrophobicContact CD2-CD1 3.83Å; Y417-L518 HydrophobicContact CE2-CD1 4.03Å; Y417-L518 HydrophobicContact CG-CD1 4.03Å
418K96.8Very high95.9Very high92 Ų9254.6 Ų54.640%0.430%0.304SS..Hα-helixtrans-58.7-50.7179.1-177.7-170.7165.9-154.70111.4F414 E415 S420 M421 E422F414-K418 WeakPolarHBondContact O-CB 3.4Å; F414-K418 PolarHBondContact O-N 2.7Å; E415-K418 WeakPolarHBondContact O-CB 3.35Å; E415-K418 PolarHBondContact O-N 2.97Å; E415-K418 IonicContact OE1-NZ 3.09Å; K418-S420 PolarHBondContact O-N 3.14Å; K418-M421 WeakPolarHBondContact O-CB 3.4Å; K418-M421 PolarHBondContact O-N 3.35Å; K418-E422 WeakPolarHBondContact CE-OE1 3.28Å; K418-E422 WeakPolarHBondContact O-CG 3.42Å; K418-E422 PolarHBondContact O-N 2.92Å
419C96.5Very high95.9Very high45 Ų4557 Ų5730%0.30432%0.315SS..Hα-helixtrans-60.5-45177.5-68.60000112.2E415 M421 E422 Q423E415-C419 PolarHBondContact O-N 3.47Å; E415-C419 PolarHBondContact O-SG 2.92Å; E415-C419 VanDerWaalsContact O-SG 3.39Å; C419-M421 VanDerWaalsContact C-N 3.31Å; C419-M421 PolarHBondContact O-N 3.45Å; C419-E422 PolarHBondContact O-N 3.07Å; C419-Q423 WeakPolarHBondContact O-CB 3.45Å; C419-Q423 VanDerWaalsContact O-CG 3.24Å; C419-Q423 WeakPolarHBondContact O-CG 3.03Å; C419-Q423 PolarHBondContact O-N 3.25Å
420S95.9Very high95.9Very high26 Ų2656.7 Ų56.718%0.18232%0.318CS..Hα-helixtrans-66.3-32.5177.7-68.60000112.8S416 Y417 K418 G424 L425 Y426S416-S420 WeakPolarHBondContact O-CB 3.09Å; S416-S420 PolarHBondContact O-N 2.96Å; S416-S420 PolarHBondContact O-OG 2.96Å; Y417-S420 PolarHBondContact O-N 3.5Å; K418-S420 PolarHBondContact O-N 3.14Å; S420-G424 PolarHBondContact O-N 2.8Å; S420-L425 WeakPolarHBondContact O-CA 3.36Å; S420-L425 WeakPolarHBondContact O-CB 3.27Å; S420-L425 PolarHBondContact O-N 3.32Å; S420-Y426 PolarHBondContact O-N 3.12Å
421M96.3Very high95.9Very high54 Ų5460.8 Ų60.827%0.26634%0.344SS..Hα-helixtrans-67.4-45.7172.6-179.6-156.673.600111.1Y417 K418 C419 Q423 G424 T428Y417-M421 VanDerWaalsContact O-CB 3.31Å; Y417-M421 WeakPolarHBondContact O-CB 3.42Å; Y417-M421 PolarHBondContact O-N 3.14Å; K418-M421 WeakPolarHBondContact O-CB 3.4Å; K418-M421 PolarHBondContact O-N 3.35Å; C419-M421 VanDerWaalsContact C-N 3.31Å; C419-M421 PolarHBondContact O-N 3.45Å; M421-Q423 PolarHBondContact O-N 2.86Å; M421-G424 PolarHBondContact O-N 3.45Å; M421-T428 HydrophobicContact SD-CG2 4.35Å
422E96Very high95.7Very high126 Ų12661.5 Ų61.559%0.58935%0.346SS*.Hα-helixtrans-61.8-32.3176.5-72171.4179.400112.4K418 C419 G424K418-E422 WeakPolarHBondContact CE-OE1 3.28Å; K418-E422 WeakPolarHBondContact O-CG 3.42Å; K418-E422 PolarHBondContact O-N 2.92Å; C419-E422 PolarHBondContact O-N 3.07Å; E422-G424 PolarHBondContact O-N 2.94Å
423Q95.1Very high95.6Very high140 Ų14063.4 Ų63.465%0.65436%0.362SS*.THydrogen-bonded Turntrans-78.7-2.2173.5-68.7168.76.100113.8C419 M421 L425C419-Q423 WeakPolarHBondContact O-CB 3.45Å; C419-Q423 VanDerWaalsContact O-CG 3.24Å; C419-Q423 WeakPolarHBondContact O-CG 3.03Å; C419-Q423 PolarHBondContact O-N 3.25Å; M421-Q423 PolarHBondContact O-N 2.86Å; Q423-L425 VanDerWaalsContact C-N 3.31Å; Q423-L425 HydrophobicContact CB-CD1 4.5Å; Q423-L425 HydrophobicContact CB-CG 4.39Å; Q423-L425 PolarHBondContact O-N 3.21Å
424G93.9Very high95.6Very high64 Ų6466.9 Ų66.966%0.6639%0.387SS*.THydrogen-bonded Turntrans76.110.3-179.200000115.2S420 M421 E422S420-G424 PolarHBondContact O-N 2.8Å; M421-G424 PolarHBondContact O-N 3.45Å; E422-G424 PolarHBondContact O-N 2.94Å
425L93.7Very high95.5Very high88 Ų8866.3 Ų66.346%0.46139%0.385SS..SBendtrans-74.8-33.9176.8-64.9171.3000112.3S420 Q423 P506S420-L425 WeakPolarHBondContact O-CA 3.36Å; S420-L425 WeakPolarHBondContact O-CB 3.27Å; S420-L425 PolarHBondContact O-N 3.32Å; Q423-L425 VanDerWaalsContact C-N 3.31Å; Q423-L425 HydrophobicContact CB-CD1 4.5Å; Q423-L425 HydrophobicContact CB-CG 4.39Å; Q423-L425 PolarHBondContact O-N 3.21Å; L425-P506 WeakPolarHBondContact O-CB 3.33Å
426Y95.8Very high95.5Very high24 Ų2465.8 Ų65.89%0.09439%0.386CS..SBendtrans-120.8153.6174.6-65.6-58.1000111.6Y417 S420 L503 G504 P506 F511 M514Y417-Y426 HydrophobicContact CD2-CD2 4.03Å; Y417-Y426 HydrophobicContact CD2-CG 4.41Å; Y417-Y426 HydrophobicContact CE2-CD2 4.42Å; Y417-Y426 HydrophobicContact CE2-CG 4.38Å; S420-Y426 PolarHBondContact O-N 3.12Å; Y426-L503 HydrophobicContact CE2-CB 4.43Å; Y426-L503 HydrophobicContact CE2-CD2 4.14Å; Y426-G504 PolarHBondContact OH-O 3.09Å; Y426-P506 HydrophobicContact CD1-CB 4.18Å; Y426-P506 HydrophobicContact CE1-CB 3.94Å; Y426-F511 HydrophobicContact CD1-CD1 4.42Å; Y426-F511 AromaticContact CD1-CE1 3.86Å; Y426-F511 HydrophobicContact CD1-CE1 3.86Å; Y426-F511 HydrophobicContact CE1-CE1 4.33Å; Y426-M514 HydrophobicContact CD1-CE 3.95Å; Y426-M514 HydrophobicContact CD1-SD 3.75Å; Y426-M514 HydrophobicContact CE1-CE 4.49Å; Y426-M514 HydrophobicContact CE1-SD 3.69Å; Y426-M514 HydrophobicContact CG-CE 4.29Å; Y426-M514 HydrophobicContact CG-SD 4.3Å
427P95.1Very high95.6Very high47 Ų4763.6 Ų63.631%0.30537%0.37SS..PPolyproline II helixtrans-71.2159.9172.62.911000111.6Y417 F511 F515Y417-P427 PolarHBondContact OH-O 3.4Å; P427-F511 HydrophobicContact CG-CD2 3.38Å; P427-F511 HydrophobicContact CG-CE2 3.55Å; P427-F511 HydrophobicContact CG-CG 3.94Å; P427-F511 HydrophobicContact CG-CZ 4.24Å; P427-F515 HydrophobicContact CB-CZ 4.01Å; P427-F515 HydrophobicContact CG-CE2 4.19Å; P427-F515 HydrophobicContact CG-CZ 3.74Å
428T95.4Very high95.6Very high108 Ų10865 Ų6566%0.66338%0.382SS*.PPolyproline II helixtrans-54.8142.5167.1-51.10000110.9M421 P430M421-T428 HydrophobicContact SD-CG2 4.35Å; T428-P430 WeakPolarHBondContact O-CD 3.39Å
429F95.9Very high95.6Very high53 Ų5363.3 Ų63.323%0.23238%0.376CS..PPolyproline II helixtrans-61.9120.6179.6-164.5-83.8000110Y417 L435 F515 L518 Q519Y417-F429 HydrophobicContact CE1-CB 4.26Å; Y417-F429 HydrophobicContact CE1-CD2 4.2Å; Y417-F429 WeakPolarHBondContact OH-CA 3.32Å; Y417-F429 PolarHBondContact OH-N 3.43Å; F429-L435 HydrophobicContact CE1-CD1 4.5Å; F429-L435 HydrophobicContact CZ-CD1 4.42Å; F429-F515 AromaticContact CD2-CD1 3.87Å; F429-F515 HydrophobicContact CD2-CD1 3.87Å; F429-F515 HydrophobicContact CD2-CE1 4.36Å; F429-F515 HydrophobicContact CE2-CD1 4.12Å; F429-L518 HydrophobicContact CE2-CB 3.76Å; F429-L518 HydrophobicContact CE2-CD1 4.4Å; F429-Q519 HydrophobicContact CZ-CB 4.1Å
430P95.8Very high95.5Very high32 Ų3261.6 Ų61.621%0.20836%0.364CS..PPolyproline II helixtrans-73.5160.5-176.531.8-36.8000111.3T428 L435 F515T428-P430 WeakPolarHBondContact O-CD 3.39Å; P430-L435 HydrophobicContact CG-CD2 3.66Å; P430-F515 VanDerWaalsContact CD-CD1 3.48Å; P430-F515 HydrophobicContact CG-CB 4.24Å; P430-F515 HydrophobicContact CG-CD1 4.29Å; P430-F515 HydrophobicContact CG-CD2 3.71Å; P430-F515 HydrophobicContact CG-CE2 4.05Å; P430-F515 HydrophobicContact CG-CG 3.85Å; P430-F515 HydrophobicContact CG-CZ 4.48Å
431P95.3Very high95.3Very high87 Ų8766.9 Ų66.957%0.56539%0.386SS*.PPolyproline II helixtrans-53.8143.1172.2-24.534.4000112S433 S434P431-S433 PolarHBondContact O-N 3.3Å; P431-S434 PolarHBondContact O-N 2.93Å; P431-S434 PolarHBondContact O-OG 3.17Å
432V94.3Very high95.1Very high37 Ų3766.3 Ų66.322%0.22438%0.384CS..G310 helixtrans-60.7-33.3-178.1-177.90000111.8S434 L435 F437 Q519V432-S434 PolarHBondContact O-N 3.37Å; V432-L435 HydrophobicContact CG1-CD1 4.35Å; V432-L435 WeakPolarHBondContact O-CB 3.27Å; V432-L435 PolarHBondContact O-N 3.27Å; V432-F437 HydrophobicContact CG1-CE2 4.45Å; V432-F437 HydrophobicContact CG1-CZ 4.01Å; V432-Q519 HydrophobicContact CG1-CG 4.4Å
433S93.1Very high94.9Very high111 Ų11162.3 Ų62.378%0.77637%0.365SS*.G310 helixtrans-66.6-17177.3540000114.5P431P431-S433 PolarHBondContact O-N 3.3Å
434S95.4Very high94.8Very high77 Ų7755.9 Ų55.954%0.53834%0.337SS..G310 helixtrans-97.63.417663.40000113.2P431 V432P431-S434 PolarHBondContact O-N 2.93Å; P431-S434 PolarHBondContact O-OG 3.17Å; V432-S434 PolarHBondContact O-N 3.37Å
435L96.7Very high94.9Very high18 Ų1852.9 Ų52.99%0.09431%0.305CS..  trans-82.1133.5179.4-66-179.5000111.1F429 P430 V432 F437 F515 V516 Q519F429-L435 HydrophobicContact CE1-CD1 4.5Å; F429-L435 HydrophobicContact CZ-CD1 4.42Å; P430-L435 HydrophobicContact CG-CD2 3.66Å; V432-L435 HydrophobicContact CG1-CD1 4.35Å; V432-L435 WeakPolarHBondContact O-CB 3.27Å; V432-L435 PolarHBondContact O-N 3.27Å; L435-F437 HydrophobicContact CB-CD2 4.49Å; L435-F437 HydrophobicContact CB-CE1 4.48Å; L435-F437 HydrophobicContact CB-CE2 3.99Å; L435-F437 HydrophobicContact CB-CZ 3.99Å; L435-F437 HydrophobicContact CD1-CE1 4.39Å; L435-F437 HydrophobicContact CD1-CZ 4.04Å; L435-F437 PolarHBondContact O-N 3.28Å; L435-F515 HydrophobicContact CD2-CB 3.6Å; L435-V516 HydrophobicContact CB-CG1 4.01Å; L435-V516 HydrophobicContact CD2-CG1 4.44Å; L435-Q519 HydrophobicContact CD1-CB 3.86Å; L435-Q519 HydrophobicContact CD1-CG 4.07Å
436D96.8Very high95.1Very high85 Ų8548.8 Ų48.846%0.45528%0.284SS..  trans-91.194172.9179.39.3000110.9S438 L439 V516D436-S438 PolarHBondContact O-N 2.9Å; D436-S438 VanDerWaalsContact O-N 3.15Å; D436-S438 WeakPolarHBondContact OD1-CB 3.26Å; D436-S438 PolarHBondContact OD1-N 3.13Å; D436-S438 PolarHBondContact OD1-OG 3.45Å; D436-S438 PolarHBondContact OD2-OG 3.48Å; D436-L439 HydrophobicContact CB-CD1 4.24Å; D436-L439 HydrophobicContact CB-CG 4.33Å; D436-L439 WeakPolarHBondContact O-CB 3.46Å; D436-L439 WeakPolarHBondContact O-CG 3.03Å; D436-L439 PolarHBondContact O-N 3.47Å; D436-V516 WeakPolarHBondContact O-CG1 3.26Å
437F97.3Very high95.1Very high7 Ų748.2 Ų48.23%0.03128%0.282CS..G310 helixtrans-69-5.4178.8-65.8-75000114.3F95 E96 L99 V432 L435 L439 L440 V516 Q519F95-F437 HydrophobicContact CB-CB 3.83Å; F95-F437 HydrophobicContact CB-CD1 4.06Å; F95-F437 HydrophobicContact CB-CG 4.11Å; E96-F437 VanDerWaalsContact CA-CD2 3.42Å; E96-F437 HydrophobicContact CB-CB 4.47Å; E96-F437 HydrophobicContact CB-CD2 3.56Å; E96-F437 HydrophobicContact CB-CE2 4.11Å; E96-F437 HydrophobicContact CB-CG 4.24Å; E96-F437 HydrophobicContact CG-CD2 3.84Å; E96-F437 HydrophobicContact CG-CE2 4.07Å; L99-F437 HydrophobicContact CB-CE1 3.72Å; L99-F437 HydrophobicContact CB-CZ 3.87Å; L99-F437 HydrophobicContact CD1-CD1 3.83Å; L99-F437 HydrophobicContact CD1-CE1 3.47Å; L99-F437 VanDerWaalsContact CD1-CE1 3.47Å; L99-F437 HydrophobicContact CD1-CZ 4.45Å; L99-F437 HydrophobicContact CG-CE1 4.21Å; V432-F437 HydrophobicContact CG1-CE2 4.45Å; V432-F437 HydrophobicContact CG1-CZ 4.01Å; L435-F437 HydrophobicContact CB-CD2 4.49Å; L435-F437 HydrophobicContact CB-CE1 4.48Å; L435-F437 HydrophobicContact CB-CE2 3.99Å; L435-F437 HydrophobicContact CB-CZ 3.99Å; L435-F437 HydrophobicContact CD1-CE1 4.39Å; L435-F437 HydrophobicContact CD1-CZ 4.04Å; L435-F437 PolarHBondContact O-N 3.28Å; F437-L439 PolarHBondContact O-N 3.35Å; F437-L440 HydrophobicContact CD1-CD1 4.08Å; F437-L440 PolarHBondContact O-N 2.83Å; F437-V516 HydrophobicContact CD1-CB 4.4Å; F437-V516 HydrophobicContact CD1-CG1 4.15Å; F437-V516 HydrophobicContact CE1-CG1 4.41Å; F437-Q519 HydrophobicContact CE1-CG 4.3Å; F437-Q519 HydrophobicContact CZ-CG 4.37Å
438S96.1Very high95.2Very high45 Ų4546 Ų4632%0.31527%0.268SS..G310 helixtrans-63-24.4169.679.50000111.8D436 L440 H441D436-S438 PolarHBondContact O-N 2.9Å; D436-S438 VanDerWaalsContact O-N 3.15Å; D436-S438 WeakPolarHBondContact OD1-CB 3.26Å; D436-S438 PolarHBondContact OD1-N 3.13Å; D436-S438 PolarHBondContact OD1-OG 3.45Å; D436-S438 PolarHBondContact OD2-OG 3.48Å; S438-L440 PolarHBondContact O-N 2.9Å; S438-H441 PolarHBondContact O-CE1 3.47Å; S438-H441 PolarHBondContact O-ND1 2.62Å; S438-H441 PolarHBondContact O-NE2 3.38Å
439L96.7Very high95.4Very high55 Ų5540.8 Ų40.829%0.28824%0.236SC..G310 helixtrans-70.8-5.3-179.4-60.3174.7000115.1D436 F437 Q513 V516D436-L439 HydrophobicContact CB-CD1 4.24Å; D436-L439 HydrophobicContact CB-CG 4.33Å; D436-L439 WeakPolarHBondContact O-CB 3.46Å; D436-L439 WeakPolarHBondContact O-CG 3.03Å; D436-L439 PolarHBondContact O-N 3.47Å; F437-L439 PolarHBondContact O-N 3.35Å; L439-Q513 PolarHBondContact O-NE2 3.26Å; L439-V516 HydrophobicContact CB-CG2 4.06Å
440L96.1Very high95.4Very high9 Ų938.3 Ų38.35%0.04723%0.225CC..  trans-90.3107.7173.1-65.2174.3000109.8F95 L99 F437 S438 E445 V516 R517F95-L440 HydrophobicContact CB-CD1 4.32Å; F95-L440 HydrophobicContact CD1-CD1 3.44Å; F95-L440 VanDerWaalsContact CD1-CD1 3.44Å; F95-L440 HydrophobicContact CD2-CB 4.07Å; F95-L440 HydrophobicContact CD2-CD1 4.1Å; F95-L440 HydrophobicContact CE1-CB 4.46Å; F95-L440 HydrophobicContact CE1-CD1 3.67Å; F95-L440 HydrophobicContact CE2-CB 3.76Å; F95-L440 HydrophobicContact CE2-CD1 4.24Å; F95-L440 HydrophobicContact CG-CD1 3.72Å; F95-L440 HydrophobicContact CZ-CB 3.99Å; F95-L440 HydrophobicContact CZ-CD1 4.05Å; L99-L440 HydrophobicContact CD1-CD1 4.19Å; F437-L440 HydrophobicContact CD1-CD1 4.08Å; F437-L440 PolarHBondContact O-N 2.83Å; S438-L440 PolarHBondContact O-N 2.9Å; L440-E445 VanDerWaalsContact C-OE2 3.24Å; L440-E445 WeakPolarHBondContact CA-OE2 3.4Å; L440-E445 HydrophobicContact CD2-CB 4.33Å; L440-E445 VanDerWaalsContact CD2-CD 3.46Å; L440-E445 HydrophobicContact CD2-CG 4.03Å; L440-V516 HydrophobicContact CD1-CB 4.28Å; L440-V516 HydrophobicContact CD2-CB 4.08Å; L440-V516 HydrophobicContact CD2-CG2 3.64Å; L440-V516 HydrophobicContact CG-CB 4.01Å; L440-V516 HydrophobicContact CG-CG2 3.82Å; L440-R517 HydrophobicContact CD2-CG 3.97Å
441H90.3Very high95.4Very high138 Ų13838.1 Ų38.164%0.63922%0.222SC*.  trans-126.8-16.1-173.5-57.5-56.9000113.7S438 E445S438-H441 PolarHBondContact O-CE1 3.47Å; S438-H441 PolarHBondContact O-ND1 2.62Å; S438-H441 PolarHBondContact O-NE2 3.38Å; H441-E445 PolarHBondContact N-OE2 3.48Å
442D92.1Very high95.5Very high42 Ų4234.1 Ų34.123%0.22520%0.196CC..  trans-75.3136.1-177.6-179.5-88.8000109.9G444 E445 W446 R499D442-G444 PolarHBondContact O-N 3.25Å; D442-G444 VanDerWaalsContact O-N 3.14Å; D442-G444 WeakPolarHBondContact OD1-CA 3.31Å; D442-G444 PolarHBondContact OD1-N 3.42Å; D442-E445 HydrophobicContact CB-CG 3.98Å; D442-E445 PolarHBondContact N-OE2 3.19Å; D442-E445 WeakPolarHBondContact O-CA 3.31Å; D442-E445 VanDerWaalsContact O-CB 3.3Å; D442-E445 WeakPolarHBondContact O-CB 3.46Å; D442-E445 PolarHBondContact O-N 2.93Å; D442-W446 PolarHBondContact O-N 2.9Å; D442-R499 IonicContact OD1-CZ 3.25Å; D442-R499 IonicContact OD1-NE 2.77Å; D442-R499 IonicContact OD1-NH2 3.47Å; D442-R499 PolarHBondContact OD1-NH2 3.47Å; D442-R499 IonicContact OD2-CZ 3.87Å; D442-R499 IonicContact OD2-NE 3.1Å; D442-R499 PolarHBondContact OD2-NE 2.83Å; D442-R499 IonicContact OD2-NH2 3.71Å; D442-R499 PolarHBondContact OD2-NH2 3.02Å
443E91.6Very high95.7Very high41 Ų4132.3 Ų32.319%0.19219%0.186CC..Hα-helixtrans-61.1-25.9-179.7-69.9-64.1135.400112.9R36 R91 L447R36-E443 HydrophobicContact CG-CG 3.67Å; R36-E443 PolarHBondContact N-OE2 3.14Å; R91-E443 IonicContact CZ-OE1 3.73Å; R91-E443 IonicContact NH1-OE1 2.71Å; R91-E443 PolarHBondContact NH1-OE1 3.21Å; R91-E443 IonicContact NH1-OE2 3.94Å; R91-E443 PolarHBondContact NH1-OE2 3.16Å; R91-E443 IonicContact NH2-OE1 3.51Å; R91-E443 IonicContact NH2-OE2 3.35Å; E443-L447 VanDerWaalsContact O-CB 3.28Å; E443-L447 WeakPolarHBondContact O-CB 3.34Å; E443-L447 PolarHBondContact O-N 3.49Å
444G94.3Very high95.9Very high6 Ų627.3 Ų27.36%0.06215%0.15CC..Hα-helixtrans-68.8-34.3171.800000112.9D442 W446 L447 L448D442-G444 PolarHBondContact O-N 3.25Å; D442-G444 VanDerWaalsContact O-N 3.14Å; D442-G444 WeakPolarHBondContact OD1-CA 3.31Å; D442-G444 PolarHBondContact OD1-N 3.42Å; G444-W446 VanDerWaalsContact C-N 3.34Å; G444-L447 PolarHBondContact O-N 2.86Å; G444-L448 VanDerWaalsContact O-CG 3.27Å; G444-L448 WeakPolarHBondContact O-CG 3.42Å; G444-L448 PolarHBondContact O-N 2.71Å
445E96.4Very high95.9Very high0 Ų025.1 Ų25.10%013%0.134CC..Hα-helixtrans-63.3-45.3174-64.1162.6166.200109.7F95 L440 H441 D442 L448 L449 Y496 R517 L520F95-E445 HydrophobicContact CZ-CB 4.13Å; L440-E445 VanDerWaalsContact C-OE2 3.24Å; L440-E445 WeakPolarHBondContact CA-OE2 3.4Å; L440-E445 HydrophobicContact CD2-CB 4.33Å; L440-E445 VanDerWaalsContact CD2-CD 3.46Å; L440-E445 HydrophobicContact CD2-CG 4.03Å; H441-E445 PolarHBondContact N-OE2 3.48Å; D442-E445 HydrophobicContact CB-CG 3.98Å; D442-E445 PolarHBondContact N-OE2 3.19Å; D442-E445 WeakPolarHBondContact O-CA 3.31Å; D442-E445 VanDerWaalsContact O-CB 3.3Å; D442-E445 WeakPolarHBondContact O-CB 3.46Å; D442-E445 PolarHBondContact O-N 2.93Å; E445-L448 PolarHBondContact O-N 3.17Å; E445-L449 PolarHBondContact O-N 2.91Å; E445-Y496 HydrophobicContact CG-CD2 4.45Å; E445-Y496 HydrophobicContact CG-CE2 3.47Å; E445-Y496 VanDerWaalsContact CG-CE2 3.47Å; E445-Y496 WeakPolarHBondContact CG-OH 3.45Å; E445-Y496 PolarHBondContact OE1-OH 2.99Å; E445-R517 IonicContact OE1-CZ 3.4Å; E445-R517 IonicContact OE1-NE 3.3Å; E445-R517 PolarHBondContact OE1-NE 3.45Å; E445-R517 IonicContact OE1-NH2 3.8Å; E445-R517 PolarHBondContact OE1-NH2 3.27Å; E445-L520 HydrophobicContact CB-CD2 3.74Å; E445-L520 HydrophobicContact CG-CD2 4.02Å
446W96.9Very high95.9Very high2 Ų224.2 Ų24.21%0.00813%0.129CC..Hα-helixtrans-66.4-42.1176.5-174.9-121000112.3D39 L89 R91 V94 F95 D442 G444 L448 L449 F450D39-W446 PolarHBondContact OD1-NE1 3.48Å; L89-W446 HydrophobicContact CB-CH2 4.41Å; L89-W446 HydrophobicContact CB-CZ2 4.36Å; L89-W446 HydrophobicContact CD1-CH2 4.14Å; L89-W446 HydrophobicContact CD1-CZ2 3.99Å; R91-W446 HydrophobicContact CB-CE3 4Å; R91-W446 HydrophobicContact CB-CH2 4.29Å; R91-W446 HydrophobicContact CB-CZ3 3.86Å; R91-W446 HydrophobicContact CG-CD2 3.9Å; R91-W446 HydrophobicContact CG-CE3 3.82Å; R91-W446 HydrophobicContact CG-CH2 3.87Å; R91-W446 HydrophobicContact CG-CZ2 3.94Å; R91-W446 HydrophobicContact CG-CZ3 3.81Å; R91-W446 VanDerWaalsContact NH2-CD1 3.3Å; V94-W446 HydrophobicContact CB-CH2 3.82Å; V94-W446 HydrophobicContact CB-CZ3 3.91Å; V94-W446 HydrophobicContact CG1-CH2 3.69Å; V94-W446 HydrophobicContact CG1-CZ3 3.84Å; V94-W446 HydrophobicContact CG2-CH2 4.12Å; F95-W446 HydrophobicContact CD2-CE3 4.3Å; F95-W446 HydrophobicContact CD2-CZ3 4.43Å; F95-W446 HydrophobicContact CE1-CE3 4.35Å; F95-W446 AromaticContact CE2-CE3 3.71Å; F95-W446 HydrophobicContact CE2-CE3 3.71Å; F95-W446 HydrophobicContact CE2-CZ3 4.28Å; F95-W446 HydrophobicContact CZ-CB 4.33Å; F95-W446 AromaticContact CZ-CE3 3.72Å; F95-W446 HydrophobicContact CZ-CE3 3.72Å; D442-W446 PolarHBondContact O-N 2.9Å; G444-W446 VanDerWaalsContact C-N 3.34Å; W446-L448 PolarHBondContact O-N 3.45Å; W446-L449 HydrophobicContact CZ3-CD2 4.14Å; W446-L449 PolarHBondContact O-N 3.1Å; W446-F450 HydrophobicContact CD2-CB 4.06Å; W446-F450 AromaticContact CE2-CG 3.88Å; W446-F450 HydrophobicContact CG-CB 4.45Å; W446-F450 HydrophobicContact CH2-CD2 4.21Å; W446-F450 HydrophobicContact CZ2-CB 4.05Å; W446-F450 AromaticContact CZ2-CD2 3.66Å; W446-F450 HydrophobicContact CZ2-CD2 3.66Å; W446-F450 HydrophobicContact CZ2-CE2 4.23Å; W446-F450 AromaticContact CZ2-CG 3.88Å; W446-F450 HydrophobicContact CZ2-CG 3.88Å; W446-F450 AromaticContact NE1-CG 3.96Å; W446-F450 WeakPolarHBondContact O-CB 3.37Å; W446-F450 PolarHBondContact O-N 2.8Å
447L96.1Very high95.8Very high12 Ų1220.2 Ų20.26%0.06311%0.108CC..Hα-helixtrans-56.9-48.5175.9-174.180.2000111.7T32 L35 E443 G444 L449 N451 N452 D492T32-L447 HydrophobicContact CG2-CD1 3.61Å; T32-L447 HydrophobicContact CG2-CD2 3.68Å; T32-L447 HydrophobicContact CG2-CG 4.19Å; L35-L447 HydrophobicContact CD1-CD1 3.68Å; E443-L447 VanDerWaalsContact O-CB 3.28Å; E443-L447 WeakPolarHBondContact O-CB 3.34Å; E443-L447 PolarHBondContact O-N 3.49Å; G444-L447 PolarHBondContact O-N 2.86Å; L447-L449 VanDerWaalsContact C-N 3.3Å; L447-L449 PolarHBondContact O-N 2.76Å; L447-N451 HydrophobicContact CD1-CB 4.42Å; L447-N451 WeakPolarHBondContact CD1-ND2 3.37Å; L447-N451 WeakPolarHBondContact O-CB 3.37Å; L447-N451 PolarHBondContact O-N 3.39Å; L447-N452 PolarHBondContact O-ND2 3.14Å; L447-D492 HydrophobicContact CD2-CB 3.94Å
448L97.8Very high95.6Very high0 Ų021.6 Ų21.60%012%0.115CC..Iπ-helixtrans-57.1-45.1179.4-74.9172.1000111.2G444 E445 W446 N452 I453 L489 D492 F493 Y496 L520 L521 V524G444-L448 VanDerWaalsContact O-CG 3.27Å; G444-L448 WeakPolarHBondContact O-CG 3.42Å; G444-L448 PolarHBondContact O-N 2.71Å; E445-L448 PolarHBondContact O-N 3.17Å; W446-L448 PolarHBondContact O-N 3.45Å; L448-N452 VanDerWaalsContact O-CB 3.26Å; L448-N452 WeakPolarHBondContact O-CB 3.39Å; L448-N452 PolarHBondContact O-N 3.12Å; L448-I453 PolarHBondContact O-N 3.14Å; L448-L489 HydrophobicContact CD2-CD1 4.38Å; L448-D492 HydrophobicContact CD2-CB 4.03Å; L448-F493 HydrophobicContact CD2-CB 4.22Å; L448-Y496 HydrophobicContact CD1-CD1 3.45Å; L448-Y496 VanDerWaalsContact CD1-CD1 3.45Å; L448-Y496 HydrophobicContact CD1-CD2 4.48Å; L448-Y496 HydrophobicContact CD1-CE1 3.99Å; L448-Y496 HydrophobicContact CD1-CG 3.72Å; L448-L520 HydrophobicContact CB-CD1 4.4Å; L448-L520 HydrophobicContact CB-CD2 4.47Å; L448-L520 HydrophobicContact CD1-CD2 4.31Å; L448-L521 HydrophobicContact CD1-CD2 4.3Å; L448-V524 HydrophobicContact CB-CG2 4.24Å; L448-V524 HydrophobicContact CD1-CG2 4.4Å; L448-V524 HydrophobicContact CD2-CG2 4.18Å
449L97.9Very high95.5Very high0 Ų020.3 Ų20.30%011%0.105CC..Iπ-helixtrans-72.5-55.2178.4-171.8152000112.6V94 F95 V98 L99 E445 W446 L447 I453 L454 L520V94-L449 HydrophobicContact CG1-CD2 3.89Å; F95-L449 HydrophobicContact CB-CD1 4.39Å; F95-L449 HydrophobicContact CD1-CB 4.3Å; F95-L449 HydrophobicContact CD1-CD1 3.16Å; F95-L449 HydrophobicContact CD1-CG 4.31Å; F95-L449 HydrophobicContact CE1-CB 3.83Å; F95-L449 HydrophobicContact CE1-CD1 3.6Å; F95-L449 HydrophobicContact CE1-CG 4.33Å; F95-L449 HydrophobicContact CG-CD1 4.01Å; V98-L449 HydrophobicContact CB-CD1 3.98Å; V98-L449 HydrophobicContact CB-CD2 4.48Å; V98-L449 HydrophobicContact CB-CG 4.41Å; V98-L449 HydrophobicContact CG1-CD1 4.06Å; V98-L449 HydrophobicContact CG1-CG 4.15Å; V98-L449 HydrophobicContact CG2-CD1 4.45Å; V98-L449 HydrophobicContact CG2-CD2 4.12Å; L99-L449 HydrophobicContact CD1-CD1 4.48Å; L99-L449 HydrophobicContact CD2-CD1 4.26Å; L99-L449 HydrophobicContact CG-CD1 4.08Å; E445-L449 PolarHBondContact O-N 2.91Å; W446-L449 HydrophobicContact CZ3-CD2 4.14Å; W446-L449 PolarHBondContact O-N 3.1Å; L447-L449 VanDerWaalsContact C-N 3.3Å; L447-L449 PolarHBondContact O-N 2.76Å; L449-I453 PolarHBondContact O-N 3.26Å; L449-L454 HydrophobicContact CD2-CB 4.4Å; L449-L454 WeakPolarHBondContact O-CB 3.47Å; L449-L454 PolarHBondContact O-N 3.4Å; L449-L520 HydrophobicContact CB-CD1 4.18Å
450F97.3Very high95.4Very high0 Ų017.9 Ų17.90%09%0.092CC..Iπ-helixtrans-74.3-30.5-167-172.3-116.2000113.5K28 E29 L35 D39 F40 L89 W446 L454K28-F450 HydrophobicContact CD-CE1 4.16Å; K28-F450 HydrophobicContact CD-CZ 4.03Å; K28-F450 VanDerWaalsContact CE-CE1 3.44Å; K28-F450 VanDerWaalsContact CE-CZ 3.48Å; K28-F450 WeakPolarHBondContact CE-O 3.33Å; K28-F450 HydrophobicContact CG-CE1 3.75Å; K28-F450 HydrophobicContact CG-CZ 3.74Å; K28-F450 PolarHBondContact NZ-O 2.93Å; E29-F450 WeakPolarHBondContact O-CE1 3.45Å; L35-F450 HydrophobicContact CD2-CD1 3.8Å; L35-F450 HydrophobicContact CD2-CE1 3.91Å; D39-F450 HydrophobicContact CB-CE1 4.21Å; D39-F450 HydrophobicContact CB-CZ 3.94Å; F40-F450 HydrophobicContact CD2-CZ 4.42Å; F40-F450 HydrophobicContact CE1-CZ 4.41Å; F40-F450 HydrophobicContact CE2-CE2 4.03Å; F40-F450 AromaticContact CE2-CZ 3.77Å; F40-F450 HydrophobicContact CE2-CZ 3.77Å; F40-F450 HydrophobicContact CZ-CE2 4Å; F40-F450 AromaticContact CZ-CZ 3.76Å; F40-F450 HydrophobicContact CZ-CZ 3.76Å; L89-F450 HydrophobicContact CD1-CD2 4.43Å; L89-F450 HydrophobicContact CD1-CE2 3.82Å; W446-F450 HydrophobicContact CD2-CB 4.06Å; W446-F450 AromaticContact CE2-CG 3.88Å; W446-F450 HydrophobicContact CG-CB 4.45Å; W446-F450 HydrophobicContact CH2-CD2 4.21Å; W446-F450 HydrophobicContact CZ2-CB 4.05Å; W446-F450 AromaticContact CZ2-CD2 3.66Å; W446-F450 HydrophobicContact CZ2-CD2 3.66Å; W446-F450 HydrophobicContact CZ2-CE2 4.23Å; W446-F450 AromaticContact CZ2-CG 3.88Å; W446-F450 HydrophobicContact CZ2-CG 3.88Å; W446-F450 AromaticContact NE1-CG 3.96Å; W446-F450 WeakPolarHBondContact O-CB 3.37Å; W446-F450 PolarHBondContact O-N 2.8Å; F450-L454 HydrophobicContact CD2-CD2 3.76Å; F450-L454 HydrophobicContact CE2-CD2 4.06Å
451N96.1Very high95.2Very high28 Ų2818.3 Ų18.315%0.1510%0.096CC..Iπ-helixtrans-99.9-24.9178.9-75.2-2.1000114K28 T30 L447 P455K28-N451 PolarHBondContact NZ-OD1 3.33Å; T30-N451 PolarHBondContact O-ND2 3.35Å; L447-N451 HydrophobicContact CD1-CB 4.42Å; L447-N451 WeakPolarHBondContact CD1-ND2 3.37Å; L447-N451 WeakPolarHBondContact O-CB 3.37Å; L447-N451 PolarHBondContact O-N 3.39Å; N451-P455 WeakPolarHBondContact O-CG 3.25Å
452N97.4Very high95.2Very high3 Ų315 Ų152%0.0168%0.081CC..Iπ-helixtrans-111.3-54-174-54.6-77.4000112.6L447 L448 F456 F485 L489 D492L447-N452 PolarHBondContact O-ND2 3.14Å; L448-N452 VanDerWaalsContact O-CB 3.26Å; L448-N452 WeakPolarHBondContact O-CB 3.39Å; L448-N452 PolarHBondContact O-N 3.12Å; N452-F456 WeakPolarHBondContact O-CB 3.23Å; N452-F485 HydrophobicContact CB-CE2 4.16Å; N452-F485 HydrophobicContact CB-CZ 4.29Å; N452-F485 WeakPolarHBondContact O-CE2 3.49Å; N452-F485 WeakPolarHBondContact O-CZ 3.32Å; N452-L489 HydrophobicContact CB-CB 4.5Å; N452-L489 HydrophobicContact CB-CD1 3.49Å; N452-L489 VanDerWaalsContact CB-CD1 3.49Å; N452-D492 PolarHBondContact ND2-OD2 2.97Å
453I98.2Very high95.1Very high0 Ų013 Ų130%07%0.07CC..Iπ-helixtrans-75.4-52.8-175.3-56.8169.9000111.7V98 L99 Y105 L448 L449 F456 L520 A523 V524 V527V98-I453 HydrophobicContact CG1-CG2 3.75Å; L99-I453 HydrophobicContact CD2-CD1 4.45Å; Y105-I453 HydrophobicContact CG-CG2 4.24Å; L448-I453 PolarHBondContact O-N 3.14Å; L449-I453 PolarHBondContact O-N 3.26Å; I453-F456 WeakPolarHBondContact O-CB 3.45Å; I453-F456 PolarHBondContact O-N 2.98Å; I453-L520 HydrophobicContact CD1-CD1 3.84Å; I453-A523 HydrophobicContact CD1-CB 3.65Å; I453-V524 HydrophobicContact CD1-CG2 4.09Å; I453-V527 HydrophobicContact CG1-CG2 4.34Å; I453-V527 HydrophobicContact CG2-CG2 4.22Å
454L96.5Very high95Very high5 Ų511.5 Ų11.53%0.0267%0.065CC..THydrogen-bonded Turntrans-57.9-44.8-174.2-17572.7000113.6L6 V8 V98 Y105 L449 F450L6-L454 HydrophobicContact CB-CD1 3.93Å; V8-L454 HydrophobicContact CG2-CD2 3.78Å; V8-L454 HydrophobicContact CG2-CG 3.98Å; V98-L454 HydrophobicContact CG2-CD1 3.88Å; Y105-L454 HydrophobicContact CE1-CD1 3.86Å; L449-L454 HydrophobicContact CD2-CB 4.4Å; L449-L454 WeakPolarHBondContact O-CB 3.47Å; L449-L454 PolarHBondContact O-N 3.4Å; F450-L454 HydrophobicContact CD2-CD2 3.76Å; F450-L454 HydrophobicContact CE2-CD2 4.06Å
455P95.6Very high94.7Very high31 Ų3117.5 Ų17.520%0.2019%0.093CC..THydrogen-bonded Turntrans-85.5-4.9179.533.7-35.8000114.5V8 N451 D458 L459V8-P455 HydrophobicContact CG2-CB 4.36Å; N451-P455 WeakPolarHBondContact O-CG 3.25Å; P455-D458 PolarHBondContact O-N 3.27Å; P455-D458 VanDerWaalsContact O-N 3.17Å; P455-L459 PolarHBondContact O-N 2.81Å; P455-L459 VanDerWaalsContact O-N 3.08Å
456F96.9Very high94.3Very high0 Ų018.5 Ų18.50%010%0.098CC..Hα-helixtrans-59.2-40-174.3-175.1-123000114.1Y105 N452 I453 D458 L459 L460 F485 V527 T530Y105-F456 VanDerWaalsContact O-CD1 3.28Å; Y105-F456 WeakPolarHBondContact O-CD1 3.42Å; N452-F456 WeakPolarHBondContact O-CB 3.23Å; I453-F456 WeakPolarHBondContact O-CB 3.45Å; I453-F456 PolarHBondContact O-N 2.98Å; F456-D458 VanDerWaalsContact C-N 3.32Å; F456-D458 PolarHBondContact O-N 3.17Å; F456-L459 HydrophobicContact CD2-CD2 3.92Å; F456-L459 HydrophobicContact CE2-CD2 4.21Å; F456-L459 VanDerWaalsContact O-CB 3.29Å; F456-L459 WeakPolarHBondContact O-CB 3.2Å; F456-L459 PolarHBondContact O-N 3.34Å; F456-L460 HydrophobicContact CD1-CD1 4.1Å; F456-L460 HydrophobicContact CD1-CG 4.42Å; F456-L460 HydrophobicContact CE1-CD1 3.75Å; F456-L460 HydrophobicContact CE1-CD2 4.27Å; F456-L460 HydrophobicContact CE1-CG 4.11Å; F456-L460 HydrophobicContact CE2-CD2 4.04Å; F456-L460 HydrophobicContact CE2-CG 4.2Å; F456-L460 HydrophobicContact CZ-CD1 4.1Å; F456-L460 HydrophobicContact CZ-CD2 3.74Å; F456-L460 HydrophobicContact CZ-CG 3.99Å; F456-L460 WeakPolarHBondContact O-CG 3.31Å; F456-L460 PolarHBondContact O-N 2.77Å; F456-F485 HydrophobicContact CB-CZ 4.23Å; F456-F485 AromaticContact CD2-CD1 3.92Å; F456-F485 HydrophobicContact CD2-CD1 3.92Å; F456-F485 AromaticContact CD2-CE1 3.33Å; F456-F485 HydrophobicContact CD2-CE1 3.33Å; F456-F485 HydrophobicContact CD2-CE2 4.15Å; F456-F485 AromaticContact CD2-CZ 3.46Å; F456-F485 HydrophobicContact CD2-CZ 3.46Å; F456-F485 VanDerWaalsContact CD2-CZ 3.46Å; F456-F485 AromaticContact CE2-CD1 3.85Å; F456-F485 HydrophobicContact CE2-CD1 3.85Å; F456-F485 AromaticContact CE2-CE1 3.46Å; F456-F485 HydrophobicContact CE2-CE1 3.46Å; F456-F485 VanDerWaalsContact CE2-CE1 3.46Å; F456-F485 HydrophobicContact CE2-CZ 4.1Å; F456-F485 HydrophobicContact CG-CE1 4.27Å; F456-F485 HydrophobicContact CG-CZ 4.09Å; F456-F485 HydrophobicContact CZ-CE1 4.47Å; F456-V527 HydrophobicContact CB-CG1 4.11Å; F456-V527 HydrophobicContact CB-CG2 4.49Å; F456-V527 HydrophobicContact CD1-CB 4.13Å; F456-V527 HydrophobicContact CD1-CG1 3.64Å; F456-V527 HydrophobicContact CD1-CG2 3.86Å; F456-V527 HydrophobicContact CD2-CG1 3.89Å; F456-V527 HydrophobicContact CE1-CB 4.35Å; F456-V527 HydrophobicContact CE1-CG1 3.95Å; F456-V527 HydrophobicContact CE1-CG2 4.43Å; F456-V527 HydrophobicContact CE2-CG1 4.18Å; F456-V527 HydrophobicContact CG-CG1 3.62Å; F456-V527 HydrophobicContact CG-CG2 4.37Å; F456-V527 HydrophobicContact CZ-CG1 4.21Å; F456-T530 HydrophobicContact CE1-CG2 3.76Å; F456-T530 HydrophobicContact CZ-CG2 3.96Å
457P94.7Very high93.5Very high0 Ų022.4 Ų22.40%012%0.119CC..Hα-helixtrans-58.6-40.5174.1-31.239.8000114.9R5 Y105 T107 A109 L459 L460 S461R5-P457 VanDerWaalsContact CZ-CG 3.44Å; R5-P457 VanDerWaalsContact NH1-CG 3.35Å; Y105-P457 HydrophobicContact CD1-CG 4.08Å; Y105-P457 WeakPolarHBondContact O-CD 3.48Å; Y105-P457 WeakPolarHBondContact O-CG 3.44Å; T107-P457 WeakPolarHBondContact O-CB 3.44Å; A109-P457 HydrophobicContact CB-CB 3.97Å; A109-P457 PolarHBondContact N-O 2.7Å; P457-L459 VanDerWaalsContact C-N 3.31Å; P457-L460 PolarHBondContact O-N 3.18Å; P457-S461 PolarHBondContact O-N 2.95Å; P457-S461 PolarHBondContact O-OG 3.3Å
458D92.7Very high92.4Very high36 Ų3622.6 Ų22.619%0.19312%0.121CC..Hα-helixtrans-69-36.2179-62.5-28.9000110.2A109 P455 F456 S461 Q462A109-D458 VanDerWaalsContact CB-OD1 3.3Å; A109-D458 WeakPolarHBondContact CB-OD1 3.44Å; P455-D458 PolarHBondContact O-N 3.27Å; P455-D458 VanDerWaalsContact O-N 3.17Å; F456-D458 VanDerWaalsContact C-N 3.32Å; F456-D458 PolarHBondContact O-N 3.17Å; D458-S461 PolarHBondContact O-N 2.81Å; D458-Q462 VanDerWaalsContact O-CG 3.26Å; D458-Q462 WeakPolarHBondContact O-CG 3.49Å; D458-Q462 PolarHBondContact O-N 3.15Å
459L94.9Very high91.3Very high19 Ų1928.2 Ų28.210%0.09916%0.156CC..Hα-helixtrans-60.4-48.4172.8-176.176.4000111.3P455 F456 P457 S461 Q462 T463 M481 I482 F485P455-L459 PolarHBondContact O-N 2.81Å; P455-L459 VanDerWaalsContact O-N 3.08Å; F456-L459 HydrophobicContact CD2-CD2 3.92Å; F456-L459 HydrophobicContact CE2-CD2 4.21Å; F456-L459 VanDerWaalsContact O-CB 3.29Å; F456-L459 WeakPolarHBondContact O-CB 3.2Å; F456-L459 PolarHBondContact O-N 3.34Å; P457-L459 VanDerWaalsContact C-N 3.31Å; L459-S461 VanDerWaalsContact C-N 3.29Å; L459-S461 PolarHBondContact O-N 2.81Å; L459-Q462 PolarHBondContact O-N 2.74Å; L459-T463 PolarHBondContact O-N 2.67Å; L459-T463 PolarHBondContact O-OG1 3.25Å; L459-M481 HydrophobicContact CD1-CB 3.79Å; L459-M481 HydrophobicContact CD1-CE 3.64Å; L459-I482 HydrophobicContact CD2-CD1 3.99Å; L459-I482 HydrophobicContact CG-CD1 4.19Å; L459-F485 HydrophobicContact CD2-CB 3.41Å; L459-F485 VanDerWaalsContact CD2-CB 3.41Å; L459-F485 HydrophobicContact CD2-CD1 3.82Å; L459-F485 HydrophobicContact CD2-CD2 3.63Å; L459-F485 HydrophobicContact CD2-CE2 4.32Å; L459-F485 HydrophobicContact CD2-CG 3.32Å
460L93.8Very high90.4Very high3 Ų329.7 Ų29.72%0.01617%0.168CC..Hα-helixtrans-55.9-47.4176.3-68.8175.3000110.4P108 H153 F456 P457 Q462 T463 A464 I482 T530 M534P108-L460 HydrophobicContact CG-CB 4.3Å; H153-L460 PolarHBondContact CE1-O 3.33Å; H153-L460 PolarHBondContact NE2-O 3.22Å; F456-L460 HydrophobicContact CD1-CD1 4.1Å; F456-L460 HydrophobicContact CD1-CG 4.42Å; F456-L460 HydrophobicContact CE1-CD1 3.75Å; F456-L460 HydrophobicContact CE1-CD2 4.27Å; F456-L460 HydrophobicContact CE1-CG 4.11Å; F456-L460 HydrophobicContact CE2-CD2 4.04Å; F456-L460 HydrophobicContact CE2-CG 4.2Å; F456-L460 HydrophobicContact CZ-CD1 4.1Å; F456-L460 HydrophobicContact CZ-CD2 3.74Å; F456-L460 HydrophobicContact CZ-CG 3.99Å; F456-L460 WeakPolarHBondContact O-CG 3.31Å; F456-L460 PolarHBondContact O-N 2.77Å; P457-L460 PolarHBondContact O-N 3.18Å; L460-Q462 PolarHBondContact O-N 2.97Å; L460-T463 PolarHBondContact O-N 2.97Å; L460-T463 VanDerWaalsContact O-N 3.17Å; L460-A464 PolarHBondContact O-N 3.37Å; L460-I482 HydrophobicContact CD2-CD1 4.04Å; L460-T530 HydrophobicContact CD1-CG2 4.35Å; L460-M534 HydrophobicContact CD2-CE 4.47Å; L460-M534 HydrophobicContact CD2-CG 4.04Å; L460-M534 HydrophobicContact CD2-SD 4.42Å
461S91.2Very high89.6Confident18 Ų1835.8 Ų35.813%0.12621%0.207CC..Hα-helixtrans-56.5-47.3174.9-63.80000113.4A109 H153 P457 D458 L459 T463 A464 M465A109-S461 PolarHBondContact N-OG 3.17Å; A109-S461 VanDerWaalsContact N-OG 3.12Å; H153-S461 WeakPolarHBondContact NE2-CA 3.3Å; H153-S461 PolarHBondContact NE2-N 3.46Å; H153-S461 PolarHBondContact NE2-OG 3.47Å; P457-S461 PolarHBondContact O-N 2.95Å; P457-S461 PolarHBondContact O-OG 3.3Å; D458-S461 PolarHBondContact O-N 2.81Å; L459-S461 VanDerWaalsContact C-N 3.29Å; L459-S461 PolarHBondContact O-N 2.81Å; S461-T463 VanDerWaalsContact C-N 3.27Å; S461-T463 PolarHBondContact O-N 3.29Å; S461-A464 PolarHBondContact O-N 3.1Å; S461-M465 VanDerWaalsContact O-CG 3.31Å; S461-M465 WeakPolarHBondContact O-CG 3.44Å; S461-M465 PolarHBondContact O-N 3.22Å; S461-M465 VanDerWaalsContact O-N 3.13Å
462Q90.9Very high89.2Confident68 Ų6835.9 Ų35.932%0.31822%0.215SC..Hα-helixtrans-64.2-30.3177.9-70.4170.235.800113.5D458 L459 L460 A464D458-Q462 VanDerWaalsContact O-CG 3.26Å; D458-Q462 WeakPolarHBondContact O-CG 3.49Å; D458-Q462 PolarHBondContact O-N 3.15Å; L459-Q462 PolarHBondContact O-N 2.74Å; L460-Q462 PolarHBondContact O-N 2.97Å; Q462-A464 VanDerWaalsContact C-N 3.35Å
463T91.1Very high88.7Confident0 Ų036 Ų360%022%0.216CC..Hα-helixtrans-70.7-30.7177.7-600000112.6H145 A149 L459 L460 S461 I482H145-T463 WeakPolarHBondContact NE2-CG2 3.35Å; A149-T463 HydrophobicContact CB-CG2 3.88Å; L459-T463 PolarHBondContact O-N 2.67Å; L459-T463 PolarHBondContact O-OG1 3.25Å; L460-T463 PolarHBondContact O-N 2.97Å; L460-T463 VanDerWaalsContact O-N 3.17Å; S461-T463 VanDerWaalsContact C-N 3.27Å; S461-T463 PolarHBondContact O-N 3.29Å; T463-I482 HydrophobicContact CG2-CG1 3.98Å
464A89.3Confident88.5Confident11 Ų1140.3 Ų40.39%0.09124%0.236CC..Hα-helixtrans-91.5-8.5177.800000114.2A149 L150 H153 L460 S461 Q462 L466A149-A464 HydrophobicContact CB-CB 4.11Å; A149-A464 WeakPolarHBondContact O-CB 3.14Å; L150-A464 HydrophobicContact CD2-CB 4.46Å; L150-A464 VanDerWaalsContact CD2-O 3.26Å; L150-A464 WeakPolarHBondContact CD2-O 3.15Å; H153-A464 HydrophobicContact CB-CB 4.2Å; H153-A464 WeakPolarHBondContact CE1-CB 3.28Å; H153-A464 VanDerWaalsContact CG-CB 3.44Å; H153-A464 WeakPolarHBondContact ND1-CB 3.45Å; L460-A464 PolarHBondContact O-N 3.37Å; S461-A464 PolarHBondContact O-N 3.1Å; Q462-A464 VanDerWaalsContact C-N 3.35Å; A464-L466 PolarHBondContact O-N 2.94Å
465M87.7Confident88.3Confident132 Ų13240.5 Ų40.565%0.6524%0.237SC*.  trans-70124.1177.9-79.7-177.48400111.4S461S461-M465 VanDerWaalsContact O-CG 3.31Å; S461-M465 WeakPolarHBondContact O-CG 3.44Å; S461-M465 PolarHBondContact O-N 3.22Å; S461-M465 VanDerWaalsContact O-N 3.13Å
466L86.4Confident88.2Confident21 Ų2142.9 Ų42.911%0.1125%0.251CS..  trans-116.6123.6170.8-70.3178.4000107.9L146 L150 L278 V280 A464 C468 I475 A477L146-L466 HydrophobicContact CD1-CD2 4.18Å; L146-L466 HydrophobicContact CD1-CG 4.5Å; L146-L466 HydrophobicContact CD2-CD2 4.23Å; L150-L466 HydrophobicContact CD1-CD1 4.05Å; L150-L466 HydrophobicContact CD2-CD1 4.01Å; L150-L466 HydrophobicContact CD2-CG 4.39Å; L278-L466 HydrophobicContact CD2-CD1 4.1Å; V280-L466 HydrophobicContact CG2-CD1 4.29Å; A464-L466 PolarHBondContact O-N 2.94Å; L466-C468 PolarHBondContact O-N 3.2Å; L466-C468 PolarHBondContact O-SG 3.47Å; L466-I475 HydrophobicContact CB-CD1 3.73Å; L466-I475 HydrophobicContact CD2-CD1 4.07Å; L466-I475 HydrophobicContact CD2-CG1 4.4Å; L466-I475 HydrophobicContact CG-CD1 4.39Å; L466-A477 HydrophobicContact CD2-CB 4.33Å
467D80.9Confident88Confident84 Ų8443 Ų4345%0.44925%0.252SS..  trans-76.280.8174.4-169.7-9000110.1T469 A470D467-T469 PolarHBondContact O-N 3.33Å; D467-T469 PolarHBondContact OD1-N 3.15Å; D467-T469 PolarHBondContact OD1-OG1 3.44Å; D467-A470 HydrophobicContact CB-CB 4.37Å; D467-A470 PolarHBondContact OD1-N 3.37Å
468C73.8Confident87.9Confident15 Ų1549.3 Ų49.310%0.10128%0.276CS..  trans-76.7-14.3-173.9-51.80000112.3L278 R308 L466L278-C468 HydrophobicContact CD1-CB 4.35Å; L278-C468 HydrophobicContact CD2-CB 4.33Å; L278-C468 WeakPolarHBondContact CD2-SG 3.38Å; R308-C468 VanDerWaalsContact NH2-C 3.26Å; R308-C468 PolarHBondContact NH2-O 3.15Å; L466-C468 PolarHBondContact O-N 3.2Å; L466-C468 PolarHBondContact O-SG 3.47Å
469T74.6Confident87.8Confident119 Ų11947.6 Ų47.673%0.7327%0.267SS*.SBendtrans-100.3-15.7-17546.80000113.1D467D467-T469 PolarHBondContact O-N 3.33Å; D467-T469 PolarHBondContact OD1-N 3.15Å; D467-T469 PolarHBondContact OD1-OG1 3.44Å
470A79.4Confident87.8Confident30 Ų3047.6 Ų47.625%0.24827%0.266CS..SBendtrans-53137.5172.900000111.1K310 D467K310-A470 PolarHBondContact NZ-O 3.47Å; D467-A470 HydrophobicContact CB-CB 4.37Å; D467-A470 PolarHBondContact OD1-N 3.37Å
471P79.9Confident87.9Confident128 Ų12849.9 Ų49.983%0.83128%0.277SS*.SBendtrans-65.6158.6171.529.1-34.2000110.8
472G86.5Confident88.1Confident31 Ų3149 Ų4932%0.3227%0.271SS..SBendtrans93.9179176.500000115A229 K310A229-G472 CarbonylContact O-C 3.59Å; A229-G472 VanDerWaalsContact O-C 3.29Å; A229-G472 VanDerWaalsContact O-CA 3.24Å; A229-G472 WeakPolarHBondContact O-CA 3.3Å; K310-G472 PolarHBondContact NZ-O 2.83Å
473L88.8Confident88.4Confident5 Ų545.8 Ų45.83%0.02626%0.256CS..SBendtrans-84.7-33.7-172.7-176.362.9000112.7A229 Y231 Q292 K310 H311A229-L473 VanDerWaalsContact O-CB 3.29Å; A229-L473 WeakPolarHBondContact O-CB 3.45Å; A229-L473 PolarHBondContact O-N 3.28Å; Y231-L473 HydrophobicContact CD1-CD2 4.2Å; Y231-L473 HydrophobicContact CE1-CD1 4.17Å; Y231-L473 HydrophobicContact CE1-CD2 4.14Å; Y231-L473 HydrophobicContact CE2-CD1 4.37Å; Q292-L473 HydrophobicContact CG-CD2 3.76Å; K310-L473 CarbonylContact C-O 3.53Å; K310-L473 VanDerWaalsContact CA-O 3.27Å; K310-L473 WeakPolarHBondContact CA-O 3.17Å; H311-L473 HydrophobicContact CB-CG 4.2Å; H311-L473 PolarHBondContact N-O 3.42Å
474H92.8Very high88.6Confident91 Ų9150.6 Ų50.642%0.42128%0.277SS..BIsolated β-bridgetrans-84.9151.7-171.5-55.8110.6000113.2E288 H311E288-H474 IonicContact OE1-CD2 4Å; E288-H474 IonicContact OE1-CE1 3.7Å; E288-H474 IonicContact OE1-NE2 2.99Å; E288-H474 PolarHBondContact OE1-NE2 3.07Å; H311-H474 WeakPolarHBondContact O-CA 3.27Å
475I93.3Very high89Confident8 Ų851.2 Ų51.24%0.04128%0.278CS..  trans-134.2150.2170.5-164.1164.3000110.5V280 K310 H311 L312 L466V280-I475 HydrophobicContact CG1-CG2 4.03Å; K310-I475 HydrophobicContact CB-CB 4.03Å; K310-I475 HydrophobicContact CB-CG2 3.85Å; K310-I475 HydrophobicContact CG-CB 4.41Å; K310-I475 HydrophobicContact CG-CD1 4.4Å; H311-I475 PolarHBondContact O-N 3.12Å; L312-I475 HydrophobicContact CB-CG2 4.07Å; L312-I475 WeakPolarHBondContact CD1-O 3.16Å; L466-I475 HydrophobicContact CB-CD1 3.73Å; L466-I475 HydrophobicContact CD2-CD1 4.07Å; L466-I475 HydrophobicContact CD2-CG1 4.4Å; L466-I475 HydrophobicContact CG-CD1 4.39Å
476T92.2Very high89.5Confident81 Ų8144.9 Ų44.950%0.49725%0.247SC..  trans-105.5143.5176.162.30000111.1
477A92.1Very high90Very high2 Ų244.6 Ų44.62%0.01725%0.246CC..  trans-124.8147.8167.700000109.6L146 L312 P379 L466 T479L146-A477 HydrophobicContact CD1-CB 4.44Å; L146-A477 HydrophobicContact CD2-CB 4.45Å; L312-A477 HydrophobicContact CD1-CB 3.92Å; L312-A477 HydrophobicContact CD2-CB 3.8Å; P379-A477 WeakPolarHBondContact CD-O 3.47Å; L466-A477 HydrophobicContact CD2-CB 4.33Å; A477-T479 HydrophobicContact CB-CG2 4.06Å
478R93.1Very high90.7Very high133 Ų13345 Ų4550%0.50225%0.245SC..  trans-106.746.1-177.6-62.2-175.9-179.7-174.21.9111.9E480 M481R478-E480 VanDerWaalsContact CA-OE2 3.28Å; R478-E480 WeakPolarHBondContact CA-OE2 3.4Å; R478-E480 PolarHBondContact O-N 3.31Å; R478-M481 HydrophobicContact CB-CG 3.85Å; R478-M481 WeakPolarHBondContact O-CB 3.38Å; R478-M481 WeakPolarHBondContact O-CG 3.44Å; R478-M481 PolarHBondContact O-N 2.96Å
479T91Very high91.8Very high1 Ų144.3 Ų44.31%0.00624%0.24CC..THydrogen-bonded Turntrans-64.3-20.1-175.555.30000112.9V142 H145 L146 P379 A477 M481V142-T479 HydrophobicContact CG1-CG2 4.21Å; H145-T479 VanDerWaalsContact CD2-CB 3.4Å; H145-T479 WeakPolarHBondContact CD2-CB 3.26Å; H145-T479 PolarHBondContact NE2-O 2.95Å; L146-T479 HydrophobicContact CB-CG2 4.39Å; P379-T479 WeakPolarHBondContact CG-OG1 3.07Å; A477-T479 HydrophobicContact CB-CG2 4.06Å; T479-M481 VanDerWaalsContact C-N 3.3Å; T479-M481 PolarHBondContact O-N 3.17Å
480E95.3Very high92.9Very high19 Ų1938.8 Ų38.89%0.08921%0.206CC..Hα-helixtrans-78.2-16.3-178.384.9-69.3178.300114.8L375 A378 R478 I482 C483 K484L375-E480 WeakPolarHBondContact O-CA 3.45Å; L375-E480 WeakPolarHBondContact O-CB 3.46Å; A378-E480 HydrophobicContact CB-CG 4.28Å; R478-E480 VanDerWaalsContact CA-OE2 3.28Å; R478-E480 WeakPolarHBondContact CA-OE2 3.4Å; R478-E480 PolarHBondContact O-N 3.31Å; E480-I482 VanDerWaalsContact C-N 3.29Å; E480-I482 PolarHBondContact O-N 3.44Å; E480-C483 PolarHBondContact O-N 2.88Å; E480-K484 HydrophobicContact CG-CD 4.01Å; E480-K484 VanDerWaalsContact CG-CE 3.43Å; E480-K484 WeakPolarHBondContact O-CG 3.17Å; E480-K484 PolarHBondContact O-N 3.36Å; E480-K484 VanDerWaalsContact O-N 3.1Å; E480-K484 IonicContact OE1-NZ 3.44Å; E480-K484 PolarHBondContact OE1-NZ 2.95Å
481M95.4Very high93.7Very high51 Ų5139.6 Ų39.625%0.25121%0.206SC..Hα-helixtrans-61.7-37.9-176.4-69.8-66.4-71.200111.9L459 R478 T479 F485L459-M481 HydrophobicContact CD1-CB 3.79Å; L459-M481 HydrophobicContact CD1-CE 3.64Å; R478-M481 HydrophobicContact CB-CG 3.85Å; R478-M481 WeakPolarHBondContact O-CB 3.38Å; R478-M481 WeakPolarHBondContact O-CG 3.44Å; R478-M481 PolarHBondContact O-N 2.96Å; T479-M481 VanDerWaalsContact C-N 3.3Å; T479-M481 PolarHBondContact O-N 3.17Å; M481-F485 WeakPolarHBondContact O-CB 3.32Å; M481-F485 PolarHBondContact O-N 3.32Å
482I96.8Very high94.4Very high0 Ų034.4 Ų34.40%017%0.171CC..Hα-helixtrans-66.3-46.6179-61.2-60.2000111.2L459 L460 T463 E480 K484 F485 L486 M534 L535L459-I482 HydrophobicContact CD2-CD1 3.99Å; L459-I482 HydrophobicContact CG-CD1 4.19Å; L460-I482 HydrophobicContact CD2-CD1 4.04Å; T463-I482 HydrophobicContact CG2-CG1 3.98Å; E480-I482 VanDerWaalsContact C-N 3.29Å; E480-I482 PolarHBondContact O-N 3.44Å; I482-K484 PolarHBondContact O-N 3.18Å; I482-F485 PolarHBondContact O-N 2.99Å; I482-L486 HydrophobicContact CG2-CD1 3.93Å; I482-L486 HydrophobicContact CG2-CG 4.33Å; I482-L486 VanDerWaalsContact O-CG 3.3Å; I482-L486 WeakPolarHBondContact O-CG 3.42Å; I482-L486 PolarHBondContact O-N 3.16Å; I482-M534 HydrophobicContact CG2-CB 4.35Å; I482-L535 HydrophobicContact CG2-CD1 4.39Å; I482-L535 HydrophobicContact CG2-CD2 4.32Å; I482-L535 HydrophobicContact CG2-CG 4.12Å
483C96.7Very high94.9Very high0 Ų033 Ų330%016%0.156CC..Hα-helixtrans-61.7-46.3177.3-70.20000112F372 S376 E480 F485 L486 V487F372-C483 HydrophobicContact CD1-CB 3.99Å; F372-C483 HydrophobicContact CE1-CB 4.08Å; S376-C483 WeakPolarHBondContact OG-CB 3.34Å; E480-C483 PolarHBondContact O-N 2.88Å; C483-F485 VanDerWaalsContact C-N 3.29Å; C483-F485 PolarHBondContact O-N 3.49Å; C483-L486 PolarHBondContact O-N 2.87Å; C483-V487 WeakPolarHBondContact O-CG2 3.35Å; C483-V487 PolarHBondContact O-N 3.3Å
484K95.6Very high95.3Very high101 Ų10133.6 Ų33.644%0.43916%0.16SC..Hα-helixtrans-59.2-42.5177.1-71173-177.5168.80111.5S376 E480 I482 Q488S376-K484 WeakPolarHBondContact O-CE 3.44Å; E480-K484 HydrophobicContact CG-CD 4.01Å; E480-K484 VanDerWaalsContact CG-CE 3.43Å; E480-K484 WeakPolarHBondContact O-CG 3.17Å; E480-K484 PolarHBondContact O-N 3.36Å; E480-K484 VanDerWaalsContact O-N 3.1Å; E480-K484 IonicContact OE1-NZ 3.44Å; E480-K484 PolarHBondContact OE1-NZ 2.95Å; I482-K484 PolarHBondContact O-N 3.18Å; K484-Q488 PolarHBondContact O-N 3.46Å
485F97.3Very high95.3Very high23 Ų2332.6 Ų32.610%0.10116%0.164CC..Hα-helixtrans-63.1-50.2176.9170.7-98.5000112.4N452 F456 L459 M481 I482 C483 V487 Q488 L489 V527N452-F485 HydrophobicContact CB-CE2 4.16Å; N452-F485 HydrophobicContact CB-CZ 4.29Å; N452-F485 WeakPolarHBondContact O-CE2 3.49Å; N452-F485 WeakPolarHBondContact O-CZ 3.32Å; F456-F485 HydrophobicContact CB-CZ 4.23Å; F456-F485 AromaticContact CD2-CD1 3.92Å; F456-F485 HydrophobicContact CD2-CD1 3.92Å; F456-F485 AromaticContact CD2-CE1 3.33Å; F456-F485 HydrophobicContact CD2-CE1 3.33Å; F456-F485 HydrophobicContact CD2-CE2 4.15Å; F456-F485 AromaticContact CD2-CZ 3.46Å; F456-F485 HydrophobicContact CD2-CZ 3.46Å; F456-F485 VanDerWaalsContact CD2-CZ 3.46Å; F456-F485 AromaticContact CE2-CD1 3.85Å; F456-F485 HydrophobicContact CE2-CD1 3.85Å; F456-F485 AromaticContact CE2-CE1 3.46Å; F456-F485 HydrophobicContact CE2-CE1 3.46Å; F456-F485 VanDerWaalsContact CE2-CE1 3.46Å; F456-F485 HydrophobicContact CE2-CZ 4.1Å; F456-F485 HydrophobicContact CG-CE1 4.27Å; F456-F485 HydrophobicContact CG-CZ 4.09Å; F456-F485 HydrophobicContact CZ-CE1 4.47Å; L459-F485 HydrophobicContact CD2-CB 3.41Å; L459-F485 VanDerWaalsContact CD2-CB 3.41Å; L459-F485 HydrophobicContact CD2-CD1 3.82Å; L459-F485 HydrophobicContact CD2-CD2 3.63Å; L459-F485 HydrophobicContact CD2-CE2 4.32Å; L459-F485 HydrophobicContact CD2-CG 3.32Å; M481-F485 WeakPolarHBondContact O-CB 3.32Å; M481-F485 PolarHBondContact O-N 3.32Å; I482-F485 PolarHBondContact O-N 2.99Å; C483-F485 VanDerWaalsContact C-N 3.29Å; C483-F485 PolarHBondContact O-N 3.49Å; F485-V487 VanDerWaalsContact C-N 3.27Å; F485-V487 PolarHBondContact O-N 2.87Å; F485-Q488 PolarHBondContact O-N 3.13Å; F485-L489 HydrophobicContact CE1-CB 4.47Å; F485-L489 HydrophobicContact CE1-CD2 4.05Å; F485-L489 HydrophobicContact CZ-CB 4.45Å; F485-L489 HydrophobicContact CZ-CD2 4.24Å; F485-L489 WeakPolarHBondContact O-CB 3.48Å; F485-L489 PolarHBondContact O-N 3.23Å; F485-V527 HydrophobicContact CE1-CG1 3.6Å; F485-V527 HydrophobicContact CZ-CG1 3.49Å; F485-V527 VanDerWaalsContact CZ-CG1 3.49Å
486L98Very high95.5Very high0 Ų032.3 Ų32.30%016%0.162CC..Hα-helixtrans-62.6-36.9-178.2-68.8171.1000112.1F372 V403 I482 C483 S490 L528 L532 L535F372-L486 HydrophobicContact CE1-CB 4.18Å; F372-L486 HydrophobicContact CZ-CB 4Å; F372-L486 HydrophobicContact CZ-CD1 3.88Å; V403-L486 HydrophobicContact CG1-CB 4.06Å; V403-L486 HydrophobicContact CG2-CB 4.35Å; I482-L486 HydrophobicContact CG2-CD1 3.93Å; I482-L486 HydrophobicContact CG2-CG 4.33Å; I482-L486 VanDerWaalsContact O-CG 3.3Å; I482-L486 WeakPolarHBondContact O-CG 3.42Å; I482-L486 PolarHBondContact O-N 3.16Å; C483-L486 PolarHBondContact O-N 2.87Å; L486-S490 VanDerWaalsContact O-CB 3.26Å; L486-S490 WeakPolarHBondContact O-CB 3.3Å; L486-S490 PolarHBondContact O-N 3.38Å; L486-S490 PolarHBondContact O-OG 3.43Å; L486-L528 HydrophobicContact CD2-CD1 3.76Å; L486-L532 HydrophobicContact CD1-CD2 4.24Å; L486-L535 HydrophobicContact CD1-CD1 3.64Å
487V96.4Very high95.6Very high15 Ų1531.7 Ų31.79%0.09115%0.151CC..Hα-helixtrans-60-51.2171.41650000110.5F372 T397 K398 V403 C483 F485 S490 M491F372-V487 HydrophobicContact CD1-CG2 3.93Å; F372-V487 HydrophobicContact CE1-CG2 3.81Å; T397-V487 WeakPolarHBondContact O-CG1 3.49Å; K398-V487 HydrophobicContact CG-CG1 4.44Å; V403-V487 HydrophobicContact CG2-CG2 4.15Å; C483-V487 WeakPolarHBondContact O-CG2 3.35Å; C483-V487 PolarHBondContact O-N 3.3Å; F485-V487 VanDerWaalsContact C-N 3.27Å; F485-V487 PolarHBondContact O-N 2.87Å; V487-S490 PolarHBondContact O-N 3.23Å; V487-M491 HydrophobicContact CG1-CE 3.53Å; V487-M491 WeakPolarHBondContact O-CG 3.38Å; V487-M491 PolarHBondContact O-N 3.01Å
488Q95.8Very high95.6Very high91 Ų9136.9 Ų36.943%0.42518%0.179SC..Hα-helixtrans-63.5-46.1-179.4-173.260.154.700112.3K484 F485 S490 M491 D492K484-Q488 PolarHBondContact O-N 3.46Å; F485-Q488 PolarHBondContact O-N 3.13Å; Q488-S490 VanDerWaalsContact C-N 3.26Å; Q488-S490 PolarHBondContact O-N 3.04Å; Q488-M491 WeakPolarHBondContact O-CB 3.49Å; Q488-M491 PolarHBondContact O-N 3.32Å; Q488-M491 VanDerWaalsContact O-N 3.1Å; Q488-D492 PolarHBondContact NE2-OD1 3.41Å; Q488-D492 PolarHBondContact O-N 3.31Å
489L97.6Very high95.7Very high2 Ų236.5 Ų36.51%0.0118%0.177CC..Hα-helixtrans-56.7-42.9175.417263.2000111L448 N452 F485 D492 F493 V524 V527 L528L448-L489 HydrophobicContact CD2-CD1 4.38Å; N452-L489 HydrophobicContact CB-CB 4.5Å; N452-L489 HydrophobicContact CB-CD1 3.49Å; N452-L489 VanDerWaalsContact CB-CD1 3.49Å; F485-L489 HydrophobicContact CE1-CB 4.47Å; F485-L489 HydrophobicContact CE1-CD2 4.05Å; F485-L489 HydrophobicContact CZ-CB 4.45Å; F485-L489 HydrophobicContact CZ-CD2 4.24Å; F485-L489 WeakPolarHBondContact O-CB 3.48Å; F485-L489 PolarHBondContact O-N 3.23Å; L489-D492 PolarHBondContact O-N 2.95Å; L489-F493 VanDerWaalsContact O-CB 3.26Å; L489-F493 WeakPolarHBondContact O-CB 3.42Å; L489-F493 PolarHBondContact O-N 3.12Å; L489-V524 HydrophobicContact CD1-CG1 3.93Å; L489-V527 HydrophobicContact CD2-CG1 4.02Å; L489-L528 HydrophobicContact CD2-CB 4.04Å; L489-L528 HydrophobicContact CD2-CD1 4.24Å
490S97.4Very high95.7Very high2 Ų237 Ų371%0.01418%0.18CC..Hα-helixtrans-67-35.2178.1-61.50000112.5L486 V487 Q488 S494L486-S490 VanDerWaalsContact O-CB 3.26Å; L486-S490 WeakPolarHBondContact O-CB 3.3Å; L486-S490 PolarHBondContact O-N 3.38Å; L486-S490 PolarHBondContact O-OG 3.43Å; V487-S490 PolarHBondContact O-N 3.23Å; Q488-S490 VanDerWaalsContact C-N 3.26Å; Q488-S490 PolarHBondContact O-N 3.04Å; S490-S494 WeakPolarHBondContact O-CB 3.46Å; S490-S494 PolarHBondContact O-N 2.91Å
491M95.5Very high95.5Very high48 Ų4843.3 Ų43.324%0.23621%0.209CC..Hα-helixtrans-65.7-48.7173.2-69.8-172.1-161.800111.4T397 K398 F402 V487 Q488 S494 S495T397-M491 WeakPolarHBondContact O-CE 3.38Å; K398-M491 HydrophobicContact CG-CE 3.85Å; F402-M491 HydrophobicContact CE1-CG 4.02Å; V487-M491 HydrophobicContact CG1-CE 3.53Å; V487-M491 WeakPolarHBondContact O-CG 3.38Å; V487-M491 PolarHBondContact O-N 3.01Å; Q488-M491 WeakPolarHBondContact O-CB 3.49Å; Q488-M491 PolarHBondContact O-N 3.32Å; Q488-M491 VanDerWaalsContact O-N 3.1Å; M491-S494 PolarHBondContact O-N 2.86Å; M491-S495 WeakPolarHBondContact O-CB 3.23Å; M491-S495 PolarHBondContact O-N 3Å
492D95.7Very high95.5Very high18 Ų1841.3 Ų41.310%0.09620%0.2CC..Hα-helixtrans-62.3-45.6-179.5-70.8-5.2000110.8L447 L448 N452 Q488 L489 S495 Y496L447-D492 HydrophobicContact CD2-CB 3.94Å; L448-D492 HydrophobicContact CD2-CB 4.03Å; N452-D492 PolarHBondContact ND2-OD2 2.97Å; Q488-D492 PolarHBondContact NE2-OD1 3.41Å; Q488-D492 PolarHBondContact O-N 3.31Å; L489-D492 PolarHBondContact O-N 2.95Å; D492-S495 PolarHBondContact O-N 2.9Å; D492-Y496 WeakPolarHBondContact O-CB 3.46Å; D492-Y496 PolarHBondContact O-N 3.16Å
493F97.1Very high95.3Very high3 Ų343.4 Ų43.41%0.01321%0.211CC..Hα-helixtrans-61.6-50.2175.4167.8-107.4000112N406 R409 L410 L448 L489 S495 Y496 Y497 L521 V524N406-F493 HydrophobicContact CB-CD1 3.88Å; N406-F493 HydrophobicContact CB-CE1 4.1Å; R409-F493 HydrophobicContact CB-CE1 4.42Å; L410-F493 HydrophobicContact CD1-CE1 4.39Å; L410-F493 HydrophobicContact CD1-CZ 4.34Å; L410-F493 HydrophobicContact CD2-CD2 4.19Å; L410-F493 HydrophobicContact CD2-CE1 4.33Å; L410-F493 HydrophobicContact CD2-CE2 3.42Å; L410-F493 VanDerWaalsContact CD2-CE2 3.42Å; L410-F493 HydrophobicContact CD2-CZ 3.51Å; L410-F493 HydrophobicContact CG-CE1 3.89Å; L410-F493 HydrophobicContact CG-CE2 3.91Å; L410-F493 HydrophobicContact CG-CZ 3.53Å; L448-F493 HydrophobicContact CD2-CB 4.22Å; L489-F493 VanDerWaalsContact O-CB 3.26Å; L489-F493 WeakPolarHBondContact O-CB 3.42Å; L489-F493 PolarHBondContact O-N 3.12Å; F493-S495 VanDerWaalsContact C-N 3.3Å; F493-S495 PolarHBondContact O-N 3.42Å; F493-Y496 PolarHBondContact O-N 3.24Å; F493-Y497 AromaticContact CE2-CD2 3.78Å; F493-Y497 HydrophobicContact CE2-CD2 3.78Å; F493-Y497 HydrophobicContact CE2-CG 4.2Å; F493-Y497 AromaticContact CZ-CD2 3.72Å; F493-Y497 HydrophobicContact CZ-CD2 3.72Å; F493-Y497 HydrophobicContact CZ-CE2 4.46Å; F493-Y497 AromaticContact CZ-CG 4Å; F493-Y497 HydrophobicContact CZ-CG 4Å; F493-Y497 VanDerWaalsContact O-CB 3.3Å; F493-Y497 WeakPolarHBondContact O-CB 3.37Å; F493-Y497 PolarHBondContact O-N 3.21Å; F493-L521 HydrophobicContact CD2-CD2 3.81Å; F493-L521 HydrophobicContact CE2-CD1 4.41Å; F493-L521 HydrophobicContact CE2-CD2 3.76Å; F493-V524 HydrophobicContact CD2-CG1 4.47Å
494S95.6Very high94.9Very high17 Ų1745 Ų4512%0.11923%0.227CC..Hα-helixtrans-61-40.8-179.5-174.20000111.6R409 S490 M491 N498R409-S494 PolarHBondContact NH1-OG 3.46Å; S490-S494 WeakPolarHBondContact O-CB 3.46Å; S490-S494 PolarHBondContact O-N 2.91Å; M491-S494 PolarHBondContact O-N 2.86Å; S494-N498 WeakPolarHBondContact O-CB 3.36Å; S494-N498 PolarHBondContact O-N 3.4Å; S494-N498 VanDerWaalsContact O-N 3.09Å; S494-N498 PolarHBondContact O-ND2 2.8Å
495S94.4Very high94.5Very high70 Ų7045.3 Ų45.349%0.4923%0.23SC..Hα-helixtrans-62.5-44.9175.8-176.10000112.3M491 D492 F493M491-S495 WeakPolarHBondContact O-CB 3.23Å; M491-S495 PolarHBondContact O-N 3Å; D492-S495 PolarHBondContact O-N 2.9Å; F493-S495 VanDerWaalsContact C-N 3.3Å; F493-S495 PolarHBondContact O-N 3.42Å
496Y95.9Very high94.1Very high2 Ų247.5 Ų47.51%0.00825%0.247CC..Hα-helixtrans-64.9-51.8177.2170.1-107.7000111.8E445 L448 D492 F493 N498 R499 V500 I502 R517 L521E445-Y496 HydrophobicContact CG-CD2 4.45Å; E445-Y496 HydrophobicContact CG-CE2 3.47Å; E445-Y496 VanDerWaalsContact CG-CE2 3.47Å; E445-Y496 WeakPolarHBondContact CG-OH 3.45Å; E445-Y496 PolarHBondContact OE1-OH 2.99Å; L448-Y496 HydrophobicContact CD1-CD1 3.45Å; L448-Y496 VanDerWaalsContact CD1-CD1 3.45Å; L448-Y496 HydrophobicContact CD1-CD2 4.48Å; L448-Y496 HydrophobicContact CD1-CE1 3.99Å; L448-Y496 HydrophobicContact CD1-CG 3.72Å; D492-Y496 WeakPolarHBondContact O-CB 3.46Å; D492-Y496 PolarHBondContact O-N 3.16Å; F493-Y496 PolarHBondContact O-N 3.24Å; Y496-N498 VanDerWaalsContact C-N 3.3Å; Y496-N498 PolarHBondContact O-N 2.86Å; Y496-R499 PolarHBondContact O-N 2.91Å; Y496-V500 HydrophobicContact CD2-CB 4.11Å; Y496-V500 HydrophobicContact CD2-CG2 3.75Å; Y496-V500 HydrophobicContact CE2-CB 3.64Å; Y496-V500 HydrophobicContact CE2-CG1 3.87Å; Y496-V500 HydrophobicContact CE2-CG2 3.47Å; Y496-V500 VanDerWaalsContact CE2-CG2 3.47Å; Y496-V500 PolarHBondContact O-N 3.44Å; Y496-I502 HydrophobicContact CE1-CD1 3.74Å; Y496-R517 WeakPolarHBondContact OH-CD 3.44Å; Y496-R517 WeakPolarHBondContact OH-CG 3.15Å; Y496-R517 PolarHBondContact OH-NE 2.92Å; Y496-L521 HydrophobicContact CD1-CD2 4.26Å; Y496-L521 HydrophobicContact CE1-CD1 4.49Å; Y496-L521 HydrophobicContact CE1-CD2 4.03Å; Y496-L521 HydrophobicContact CE1-CG 4.47Å
497Y95.3Very high93.8Very high67 Ų6752.9 Ų52.926%0.26327%0.267SS..Hα-helixtrans-62.5-34.6-175.7-170.5-83.2000112.9L413 F493 R499 I502L413-Y497 HydrophobicContact CB-CE2 4.42Å; L413-Y497 HydrophobicContact CD1-CE2 4.03Å; L413-Y497 HydrophobicContact CD2-CE2 3.95Å; L413-Y497 HydrophobicContact CG-CE2 4.35Å; F493-Y497 AromaticContact CE2-CD2 3.78Å; F493-Y497 HydrophobicContact CE2-CD2 3.78Å; F493-Y497 HydrophobicContact CE2-CG 4.2Å; F493-Y497 AromaticContact CZ-CD2 3.72Å; F493-Y497 HydrophobicContact CZ-CD2 3.72Å; F493-Y497 HydrophobicContact CZ-CE2 4.46Å; F493-Y497 AromaticContact CZ-CG 4Å; F493-Y497 HydrophobicContact CZ-CG 4Å; F493-Y497 VanDerWaalsContact O-CB 3.3Å; F493-Y497 WeakPolarHBondContact O-CB 3.37Å; F493-Y497 PolarHBondContact O-N 3.21Å; Y497-R499 VanDerWaalsContact C-N 3.28Å; Y497-R499 PolarHBondContact O-N 3.03Å; Y497-I502 HydrophobicContact CD2-CG1 4.13Å; Y497-I502 HydrophobicContact CE2-CG1 4.09Å
498N93.1Very high93.5Very high112 Ų11257 Ų5760%0.59929%0.294SS*.Hα-helixtrans-70.6-24.3177.1-69.1-15.3000113.1R409 S494 Y496R409-N498 PolarHBondContact NH2-OD1 3.3Å; S494-N498 WeakPolarHBondContact O-CB 3.36Å; S494-N498 PolarHBondContact O-N 3.4Å; S494-N498 VanDerWaalsContact O-N 3.09Å; S494-N498 PolarHBondContact O-ND2 2.8Å; Y496-N498 VanDerWaalsContact C-N 3.3Å; Y496-N498 PolarHBondContact O-N 2.86Å
499R93.4Very high93.3Very high124 Ų12459.4 Ų59.447%0.46831%0.305SS..Hα-helixtrans-93.3-36.4-179.9179.6176.766.9-105.12.6112.3D442 Y496 Y497D442-R499 IonicContact OD1-CZ 3.25Å; D442-R499 IonicContact OD1-NE 2.77Å; D442-R499 IonicContact OD1-NH2 3.47Å; D442-R499 PolarHBondContact OD1-NH2 3.47Å; D442-R499 IonicContact OD2-CZ 3.87Å; D442-R499 IonicContact OD2-NE 3.1Å; D442-R499 PolarHBondContact OD2-NE 2.83Å; D442-R499 IonicContact OD2-NH2 3.71Å; D442-R499 PolarHBondContact OD2-NH2 3.02Å; Y496-R499 PolarHBondContact O-N 2.91Å; Y497-R499 VanDerWaalsContact C-N 3.28Å; Y497-R499 PolarHBondContact O-N 3.03Å
500V92.7Very high93Very high11 Ų1164.7 Ų64.77%0.06733%0.325CS..SBendtrans-111117.3-167.6-178.40000110.8Y496 I502Y496-V500 HydrophobicContact CD2-CB 4.11Å; Y496-V500 HydrophobicContact CD2-CG2 3.75Å; Y496-V500 HydrophobicContact CE2-CB 3.64Å; Y496-V500 HydrophobicContact CE2-CG1 3.87Å; Y496-V500 HydrophobicContact CE2-CG2 3.47Å; Y496-V500 VanDerWaalsContact CE2-CG2 3.47Å; Y496-V500 PolarHBondContact O-N 3.44Å; V500-I502 HydrophobicContact CG1-CD1 4.14Å; V500-I502 PolarHBondContact O-N 3.3Å
501H90.3Very high92.8Very high153 Ų15366.3 Ų66.371%0.70833%0.332SS*.  trans-71.5117.1173.2-64.9-66.3000110.4R517H501-R517 PolarHBondContact O-NH1 3.33Å
502I94.6Very high92.8Very high9 Ų965.6 Ų65.65%0.04634%0.337CS..SBendtrans-85.8-62.9178.6-47.1-58.4000109.8L413 Y496 Y497 V500 G504 M514 R517 L518 L521L413-I502 HydrophobicContact CD1-CB 4.09Å; L413-I502 HydrophobicContact CD1-CG2 4.22Å; L413-I502 HydrophobicContact CD2-CG2 4.33Å; Y496-I502 HydrophobicContact CE1-CD1 3.74Å; Y497-I502 HydrophobicContact CD2-CG1 4.13Å; Y497-I502 HydrophobicContact CE2-CG1 4.09Å; V500-I502 HydrophobicContact CG1-CD1 4.14Å; V500-I502 PolarHBondContact O-N 3.3Å; I502-G504 PolarHBondContact O-N 2.85Å; I502-M514 WeakPolarHBondContact O-CG 3.48Å; I502-R517 HydrophobicContact CD1-CB 4.24Å; I502-R517 HydrophobicContact CG2-CB 4.3Å; I502-L518 HydrophobicContact CG2-CD2 3.86Å; I502-L518 HydrophobicContact CG2-CG 4.09Å; I502-L521 HydrophobicContact CD1-CD1 3.8Å; I502-L521 HydrophobicContact CG1-CD1 3.72Å; I502-L521 HydrophobicContact CG2-CD1 4.13Å
503L93.3Very high92.8Very high44 Ų4468 Ų6823%0.2335%0.348CS..SBendtrans-91.698.5172.1-57.4-179.3000108.1L413 Y417 Y426 M514 L518L413-L503 HydrophobicContact CD1-CD1 3.77Å; L413-L503 HydrophobicContact CD1-CG 3.73Å; Y417-L503 HydrophobicContact CD2-CD2 3.99Å; Y417-L503 HydrophobicContact CG-CD2 4.41Å; Y426-L503 HydrophobicContact CE2-CB 4.43Å; Y426-L503 HydrophobicContact CE2-CD2 4.14Å; L503-M514 HydrophobicContact CD2-CG 4.23Å; L503-M514 HydrophobicContact CD2-SD 3.91Å; L503-L518 HydrophobicContact CD2-CD1 4.25Å; L503-L518 HydrophobicContact CD2-CD2 4.33Å
504G87.3Confident92.7Very high34 Ų3468.2 Ų68.235%0.35135%0.349SS..  trans-105.2-166.9177.500000112Y426 I502Y426-G504 PolarHBondContact OH-O 3.09Å; I502-G504 PolarHBondContact O-N 2.85Å
505E88.4Confident92.8Very high107 Ų10768.2 Ų68.250%0.535%0.347SS..  trans-55137.8175.4-67.9176.7-164.900112.3R507E505-R507 HydrophobicContact CB-CG 4.22Å; E505-R507 PolarHBondContact O-N 3.19Å; E505-R507 IonicContact OE2-CZ 3.87Å; E505-R507 IonicContact OE2-NE 2.8Å; E505-R507 PolarHBondContact OE2-NE 3.35Å; E505-R507 IonicContact OE2-NH2 3.84Å; E505-R507 PolarHBondContact OE2-NH2 3.03Å
506P89.1Confident93Very high69 Ų6964.9 Ų64.945%0.44832%0.323SS..  trans-75.967.7-172.731.5-36.2000112L425 Y426 F511L425-P506 WeakPolarHBondContact O-CB 3.33Å; Y426-P506 HydrophobicContact CD1-CB 4.18Å; Y426-P506 HydrophobicContact CE1-CB 3.94Å; P506-F511 HydrophobicContact CB-CE1 4.33Å; P506-F511 HydrophobicContact CB-CZ 4.46Å
507R90.8Very high93.1Very high113 Ų11366.2 Ų66.243%0.42633%0.328SS..  trans-101.2128.4178.5-57.5-171.7-173-162.2-1.1109.9E505 H509 R510E505-R507 HydrophobicContact CB-CG 4.22Å; E505-R507 PolarHBondContact O-N 3.19Å; E505-R507 IonicContact OE2-CZ 3.87Å; E505-R507 IonicContact OE2-NE 2.8Å; E505-R507 PolarHBondContact OE2-NE 3.35Å; E505-R507 IonicContact OE2-NH2 3.84Å; E505-R507 PolarHBondContact OE2-NH2 3.03Å; R507-H509 VanDerWaalsContact C-N 3.31Å; R507-H509 PolarHBondContact O-N 3.47Å; R507-H509 VanDerWaalsContact O-N 3.13Å; R507-R510 HydrophobicContact CB-CG 4.3Å; R507-R510 WeakPolarHBondContact O-CB 3.07Å; R507-R510 PolarHBondContact O-N 3.35Å
508P90.4Very high93.3Very high102 Ų10263 Ų6366%0.66232%0.316SS*.G310 helixtrans-51.3-41.5-174.1-31.835.9000115.9R510 F511P508-R510 PolarHBondContact O-N 3.3Å; P508-R510 VanDerWaalsContact O-N 3.14Å; P508-F511 HydrophobicContact CB-CD2 4.42Å; P508-F511 HydrophobicContact CB-CE2 4.26Å; P508-F511 HydrophobicContact CG-CE2 4.32Å; P508-F511 PolarHBondContact O-N 2.78Å
509H91Very high93.5Very high141 Ų14158 Ų5865%0.65329%0.289SS*.G310 helixtrans-66.4-13.4179.465.4-91.6000114.2R507R507-H509 VanDerWaalsContact C-N 3.31Å; R507-H509 PolarHBondContact O-N 3.47Å; R507-H509 VanDerWaalsContact O-N 3.13Å
510R91.1Very high93.8Very high112 Ų11252.1 Ų52.142%0.42327%0.266SS..G310 helixtrans-95.9-13.1178.5-60.9-173.3175.7-177.6-5.4113.3R507 P508 G512 Q513 M514R507-R510 HydrophobicContact CB-CG 4.3Å; R507-R510 WeakPolarHBondContact O-CB 3.07Å; R507-R510 PolarHBondContact O-N 3.35Å; P508-R510 PolarHBondContact O-N 3.3Å; P508-R510 VanDerWaalsContact O-N 3.14Å; R510-G512 VanDerWaalsContact C-N 3.35Å; R510-G512 PolarHBondContact O-N 3.34Å; R510-Q513 PolarHBondContact O-N 3.5Å; R510-M514 PolarHBondContact O-N 3.4Å
511F94.1Very high94Very high36 Ų3651.6 Ų51.616%0.15826%0.263CS..Hα-helixtrans-63.2-39.3-174.5-63.9-22.6000112.6Y426 P427 P506 P508 Q513 M514 F515Y426-F511 HydrophobicContact CD1-CD1 4.42Å; Y426-F511 AromaticContact CD1-CE1 3.86Å; Y426-F511 HydrophobicContact CD1-CE1 3.86Å; Y426-F511 HydrophobicContact CE1-CE1 4.33Å; P427-F511 HydrophobicContact CG-CD2 3.38Å; P427-F511 HydrophobicContact CG-CE2 3.55Å; P427-F511 HydrophobicContact CG-CG 3.94Å; P427-F511 HydrophobicContact CG-CZ 4.24Å; P506-F511 HydrophobicContact CB-CE1 4.33Å; P506-F511 HydrophobicContact CB-CZ 4.46Å; P508-F511 HydrophobicContact CB-CD2 4.42Å; P508-F511 HydrophobicContact CB-CE2 4.26Å; P508-F511 HydrophobicContact CG-CE2 4.32Å; P508-F511 PolarHBondContact O-N 2.78Å; F511-Q513 PolarHBondContact O-N 3.47Å; F511-M514 HydrophobicContact CD1-CE 4.15Å; F511-M514 WeakPolarHBondContact O-CB 3.44Å; F511-M514 PolarHBondContact O-N 3.35Å; F511-F515 HydrophobicContact CB-CD2 4.21Å; F511-F515 HydrophobicContact CB-CE2 3.79Å; F511-F515 HydrophobicContact CB-CZ 4.5Å; F511-F515 WeakPolarHBondContact O-CD2 3.45Å; F511-F515 WeakPolarHBondContact O-CG 3.43Å; F511-F515 PolarHBondContact O-N 2.89Å
512G94.9Very high94.4Very high34 Ų3449.9 Ų49.935%0.35125%0.251SS..Hα-helixtrans-54.5-51176.400000112.4R510 F515 V516R510-G512 VanDerWaalsContact C-N 3.35Å; R510-G512 PolarHBondContact O-N 3.34Å; G512-F515 PolarHBondContact O-N 3.21Å; G512-V516 PolarHBondContact O-N 3.33Å
513Q95.5Very high94.6Very high68 Ų6849.5 Ų49.532%0.31825%0.249SC..Hα-helixtrans-66.2-39.8178.2-173.6171.966.200112.3L439 R510 F511 F515 V516 R517L439-Q513 PolarHBondContact O-NE2 3.26Å; R510-Q513 PolarHBondContact O-N 3.5Å; F511-Q513 PolarHBondContact O-N 3.47Å; Q513-F515 VanDerWaalsContact C-N 3.34Å; Q513-F515 PolarHBondContact O-N 3.3Å; Q513-V516 WeakPolarHBondContact O-CG2 3.48Å; Q513-R517 VanDerWaalsContact CD-CZ 3.49Å; Q513-R517 WeakPolarHBondContact O-CB 3.35Å; Q513-R517 VanDerWaalsContact O-CG 3.32Å; Q513-R517 WeakPolarHBondContact O-CG 3.39Å; Q513-R517 PolarHBondContact O-N 2.97Å; Q513-R517 VanDerWaalsContact O-N 3.15Å
514M96.8Very high94.9Very high8 Ų847.4 Ų47.44%0.03924%0.238CC..Hα-helixtrans-58.1-46.4175.1178.7-171.875.300111.3Y417 Y426 I502 L503 R510 F511 R517 L518Y417-M514 HydrophobicContact CE2-CE 4.12Å; Y426-M514 HydrophobicContact CD1-CE 3.95Å; Y426-M514 HydrophobicContact CD1-SD 3.75Å; Y426-M514 HydrophobicContact CE1-CE 4.49Å; Y426-M514 HydrophobicContact CE1-SD 3.69Å; Y426-M514 HydrophobicContact CG-CE 4.29Å; Y426-M514 HydrophobicContact CG-SD 4.3Å; I502-M514 WeakPolarHBondContact O-CG 3.48Å; L503-M514 HydrophobicContact CD2-CG 4.23Å; L503-M514 HydrophobicContact CD2-SD 3.91Å; R510-M514 PolarHBondContact O-N 3.4Å; F511-M514 HydrophobicContact CD1-CE 4.15Å; F511-M514 WeakPolarHBondContact O-CB 3.44Å; F511-M514 PolarHBondContact O-N 3.35Å; M514-R517 PolarHBondContact O-N 3.39Å; M514-L518 HydrophobicContact CE-CD1 4.48Å; M514-L518 HydrophobicContact CG-CD1 3.94Å; M514-L518 HydrophobicContact CG-CG 4.42Å; M514-L518 WeakPolarHBondContact O-CB 3.39Å; M514-L518 WeakPolarHBondContact O-CG 3.39Å; M514-L518 PolarHBondContact O-N 3.37Å
515F97.7Very high95.4Very high16 Ų1648.8 Ų48.87%0.0723%0.232CC..Hα-helixtrans-66.5-42.3-177-68.5-50.5000113.1Y417 P427 F429 P430 L435 F511 G512 Q513 R517 L518 Q519Y417-F515 HydrophobicContact CE2-CE1 4.26Å; P427-F515 HydrophobicContact CB-CZ 4.01Å; P427-F515 HydrophobicContact CG-CE2 4.19Å; P427-F515 HydrophobicContact CG-CZ 3.74Å; F429-F515 AromaticContact CD2-CD1 3.87Å; F429-F515 HydrophobicContact CD2-CD1 3.87Å; F429-F515 HydrophobicContact CD2-CE1 4.36Å; F429-F515 HydrophobicContact CE2-CD1 4.12Å; P430-F515 VanDerWaalsContact CD-CD1 3.48Å; P430-F515 HydrophobicContact CG-CB 4.24Å; P430-F515 HydrophobicContact CG-CD1 4.29Å; P430-F515 HydrophobicContact CG-CD2 3.71Å; P430-F515 HydrophobicContact CG-CE2 4.05Å; P430-F515 HydrophobicContact CG-CG 3.85Å; P430-F515 HydrophobicContact CG-CZ 4.48Å; L435-F515 HydrophobicContact CD2-CB 3.6Å; F511-F515 HydrophobicContact CB-CD2 4.21Å; F511-F515 HydrophobicContact CB-CE2 3.79Å; F511-F515 HydrophobicContact CB-CZ 4.5Å; F511-F515 WeakPolarHBondContact O-CD2 3.45Å; F511-F515 WeakPolarHBondContact O-CG 3.43Å; F511-F515 PolarHBondContact O-N 2.89Å; G512-F515 PolarHBondContact O-N 3.21Å; Q513-F515 VanDerWaalsContact C-N 3.34Å; Q513-F515 PolarHBondContact O-N 3.3Å; F515-R517 VanDerWaalsContact C-N 3.31Å; F515-R517 PolarHBondContact O-N 3.46Å; F515-L518 HydrophobicContact CD1-CD1 4.46Å; F515-L518 PolarHBondContact O-N 3.03Å; F515-Q519 PolarHBondContact O-N 3.39Å
516V97.9Very high95.8Very high0 Ų047.1 Ų47.10%023%0.225CC..Hα-helixtrans-65.2-35.8175.9-66.10000112.2L435 D436 F437 L439 L440 G512 Q513 Q519 L520L435-V516 HydrophobicContact CB-CG1 4.01Å; L435-V516 HydrophobicContact CD2-CG1 4.44Å; D436-V516 WeakPolarHBondContact O-CG1 3.26Å; F437-V516 HydrophobicContact CD1-CB 4.4Å; F437-V516 HydrophobicContact CD1-CG1 4.15Å; F437-V516 HydrophobicContact CE1-CG1 4.41Å; L439-V516 HydrophobicContact CB-CG2 4.06Å; L440-V516 HydrophobicContact CD1-CB 4.28Å; L440-V516 HydrophobicContact CD2-CB 4.08Å; L440-V516 HydrophobicContact CD2-CG2 3.64Å; L440-V516 HydrophobicContact CG-CB 4.01Å; L440-V516 HydrophobicContact CG-CG2 3.82Å; G512-V516 PolarHBondContact O-N 3.33Å; Q513-V516 WeakPolarHBondContact O-CG2 3.48Å; V516-Q519 PolarHBondContact O-N 3.49Å; V516-L520 PolarHBondContact O-N 3Å
517R98.1Very high96.3Very high31 Ų3143.9 Ų43.912%0.11720%0.204CC..Hα-helixtrans-67.3-43174-74.1179.4170.5153.48.2112.1L440 E445 Y496 H501 I502 Q513 M514 F515 Q519 L520 L521L440-R517 HydrophobicContact CD2-CG 3.97Å; E445-R517 IonicContact OE1-CZ 3.4Å; E445-R517 IonicContact OE1-NE 3.3Å; E445-R517 PolarHBondContact OE1-NE 3.45Å; E445-R517 IonicContact OE1-NH2 3.8Å; E445-R517 PolarHBondContact OE1-NH2 3.27Å; Y496-R517 WeakPolarHBondContact OH-CD 3.44Å; Y496-R517 WeakPolarHBondContact OH-CG 3.15Å; Y496-R517 PolarHBondContact OH-NE 2.92Å; H501-R517 PolarHBondContact O-NH1 3.33Å; I502-R517 HydrophobicContact CD1-CB 4.24Å; I502-R517 HydrophobicContact CG2-CB 4.3Å; Q513-R517 VanDerWaalsContact CD-CZ 3.49Å; Q513-R517 WeakPolarHBondContact O-CB 3.35Å; Q513-R517 VanDerWaalsContact O-CG 3.32Å; Q513-R517 WeakPolarHBondContact O-CG 3.39Å; Q513-R517 PolarHBondContact O-N 2.97Å; Q513-R517 VanDerWaalsContact O-N 3.15Å; M514-R517 PolarHBondContact O-N 3.39Å; F515-R517 VanDerWaalsContact C-N 3.31Å; F515-R517 PolarHBondContact O-N 3.46Å; R517-Q519 VanDerWaalsContact C-N 3.3Å; R517-Q519 PolarHBondContact O-N 3.22Å; R517-L520 PolarHBondContact O-N 3.01Å; R517-L521 WeakPolarHBondContact O-CB 3.19Å; R517-L521 WeakPolarHBondContact O-CG 3.4Å; R517-L521 PolarHBondContact O-N 2.96Å
518L98.2Very high96.6Very high0 Ų038.6 Ų38.60%018%0.184CC..Hα-helixtrans-61.8-39.2174-76.4171.7000111.1L413 F414 Y417 F429 I502 L503 M514 F515 L521 R522L413-L518 HydrophobicContact CD2-CD2 4.43Å; F414-L518 HydrophobicContact CD1-CD2 4.48Å; F414-L518 HydrophobicContact CE1-CD2 4.05Å; Y417-L518 HydrophobicContact CD1-CD1 4.36Å; Y417-L518 HydrophobicContact CD2-CD1 3.83Å; Y417-L518 HydrophobicContact CE2-CD1 4.03Å; Y417-L518 HydrophobicContact CG-CD1 4.03Å; F429-L518 HydrophobicContact CE2-CB 3.76Å; F429-L518 HydrophobicContact CE2-CD1 4.4Å; I502-L518 HydrophobicContact CG2-CD2 3.86Å; I502-L518 HydrophobicContact CG2-CG 4.09Å; L503-L518 HydrophobicContact CD2-CD1 4.25Å; L503-L518 HydrophobicContact CD2-CD2 4.33Å; M514-L518 HydrophobicContact CE-CD1 4.48Å; M514-L518 HydrophobicContact CG-CD1 3.94Å; M514-L518 HydrophobicContact CG-CG 4.42Å; M514-L518 WeakPolarHBondContact O-CB 3.39Å; M514-L518 WeakPolarHBondContact O-CG 3.39Å; M514-L518 PolarHBondContact O-N 3.37Å; F515-L518 HydrophobicContact CD1-CD1 4.46Å; F515-L518 PolarHBondContact O-N 3.03Å; L518-L521 PolarHBondContact O-N 3.38Å; L518-R522 WeakPolarHBondContact O-CB 3.33Å; L518-R522 PolarHBondContact O-N 3.48Å
519Q98.3Very high97Very high6 Ų636 Ų363%0.02816%0.163CC..Hα-helixtrans-64.7-43.3175-174.458.411.100112.2L99 F429 V432 L435 F437 F515 V516 R517 L521 R522 A523L99-Q519 HydrophobicContact CB-CG 4.05Å; L99-Q519 PolarHBondContact O-NE2 3.26Å; F429-Q519 HydrophobicContact CZ-CB 4.1Å; V432-Q519 HydrophobicContact CG1-CG 4.4Å; L435-Q519 HydrophobicContact CD1-CB 3.86Å; L435-Q519 HydrophobicContact CD1-CG 4.07Å; F437-Q519 HydrophobicContact CE1-CG 4.3Å; F437-Q519 HydrophobicContact CZ-CG 4.37Å; F515-Q519 PolarHBondContact O-N 3.39Å; V516-Q519 PolarHBondContact O-N 3.49Å; R517-Q519 VanDerWaalsContact C-N 3.3Å; R517-Q519 PolarHBondContact O-N 3.22Å; Q519-L521 PolarHBondContact O-N 2.71Å; Q519-R522 WeakPolarHBondContact O-CB 3.46Å; Q519-R522 PolarHBondContact O-N 2.93Å; Q519-A523 PolarHBondContact O-N 2.78Å; Q519-A523 VanDerWaalsContact O-N 3.13Å
520L98.6Very high97.3Very high0 Ų030.8 Ų30.80%014%0.141CC..Hα-helixtrans-58.9-47.2173.3174.962.4000111.3F95 L99 E445 L448 L449 I453 V516 R517 R522 A523 V524F95-L520 HydrophobicContact CE1-CD1 4.41Å; L99-L520 HydrophobicContact CD1-CB 4.12Å; L99-L520 HydrophobicContact CD1-CD1 4.36Å; L99-L520 HydrophobicContact CD2-CD1 4.11Å; E445-L520 HydrophobicContact CB-CD2 3.74Å; E445-L520 HydrophobicContact CG-CD2 4.02Å; L448-L520 HydrophobicContact CB-CD1 4.4Å; L448-L520 HydrophobicContact CB-CD2 4.47Å; L448-L520 HydrophobicContact CD1-CD2 4.31Å; L449-L520 HydrophobicContact CB-CD1 4.18Å; I453-L520 HydrophobicContact CD1-CD1 3.84Å; V516-L520 PolarHBondContact O-N 3Å; R517-L520 PolarHBondContact O-N 3.01Å; L520-R522 VanDerWaalsContact C-N 3.28Å; L520-R522 PolarHBondContact O-N 3.4Å; L520-A523 WeakPolarHBondContact O-CB 3.48Å; L520-A523 PolarHBondContact O-N 3.14Å; L520-A523 VanDerWaalsContact O-N 3.14Å; L520-V524 PolarHBondContact O-N 3.18Å
521L98.5Very high97.6Very high0 Ų025.4 Ų25.40%012%0.12CC..Hα-helixtrans-69.9-25.2179.9-67.8-175.9000113.1L410 L413 F414 L448 F493 Y496 I502 R517 L518 Q519 A523 V524 R525L410-L521 HydrophobicContact CD2-CB 4.21Å; L410-L521 HydrophobicContact CD2-CD2 4.45Å; L413-L521 HydrophobicContact CD2-CD1 3.5Å; F414-L521 HydrophobicContact CE2-CB 4.44Å; F414-L521 HydrophobicContact CZ-CB 4.25Å; L448-L521 HydrophobicContact CD1-CD2 4.3Å; F493-L521 HydrophobicContact CD2-CD2 3.81Å; F493-L521 HydrophobicContact CE2-CD1 4.41Å; F493-L521 HydrophobicContact CE2-CD2 3.76Å; Y496-L521 HydrophobicContact CD1-CD2 4.26Å; Y496-L521 HydrophobicContact CE1-CD1 4.49Å; Y496-L521 HydrophobicContact CE1-CD2 4.03Å; Y496-L521 HydrophobicContact CE1-CG 4.47Å; I502-L521 HydrophobicContact CD1-CD1 3.8Å; I502-L521 HydrophobicContact CG1-CD1 3.72Å; I502-L521 HydrophobicContact CG2-CD1 4.13Å; R517-L521 WeakPolarHBondContact O-CB 3.19Å; R517-L521 WeakPolarHBondContact O-CG 3.4Å; R517-L521 PolarHBondContact O-N 2.96Å; L518-L521 PolarHBondContact O-N 3.38Å; Q519-L521 PolarHBondContact O-N 2.71Å; L521-A523 VanDerWaalsContact C-N 3.34Å; L521-V524 HydrophobicContact CD2-CG2 4.42Å; L521-V524 PolarHBondContact O-N 3.1Å; L521-R525 WeakPolarHBondContact O-CB 3Å; L521-R525 PolarHBondContact O-N 2.86Å
522R98.1Very high97.8Very high118 Ų11823.7 Ų23.745%0.44511%0.113SC..Hα-helixtrans-66.1-41170.6-176.6179.5179.6172.42.1110.3F414 L518 Q519 L520 R525 E526F414-R522 HydrophobicContact CE1-CB 4.33Å; F414-R522 HydrophobicContact CZ-CB 3.84Å; L518-R522 WeakPolarHBondContact O-CB 3.33Å; L518-R522 PolarHBondContact O-N 3.48Å; Q519-R522 WeakPolarHBondContact O-CB 3.46Å; Q519-R522 PolarHBondContact O-N 2.93Å; L520-R522 VanDerWaalsContact C-N 3.28Å; L520-R522 PolarHBondContact O-N 3.4Å; R522-R525 PolarHBondContact O-N 3.31Å; R522-E526 PolarHBondContact O-N 3.22Å
523A98.5Very high97.9Very high0 Ų024.8 Ų24.80%012%0.118CC..Hα-helixtrans-67.9-40.4175.200000112.6L99 V102 I453 Q519 L520 L521 R525 E526 V527L99-A523 HydrophobicContact CD2-CB 3.61Å; V102-A523 HydrophobicContact CB-CB 4.37Å; V102-A523 HydrophobicContact CG1-CB 3.8Å; V102-A523 HydrophobicContact CG2-CB 3.68Å; I453-A523 HydrophobicContact CD1-CB 3.65Å; Q519-A523 PolarHBondContact O-N 2.78Å; Q519-A523 VanDerWaalsContact O-N 3.13Å; L520-A523 WeakPolarHBondContact O-CB 3.48Å; L520-A523 PolarHBondContact O-N 3.14Å; L520-A523 VanDerWaalsContact O-N 3.14Å; L521-A523 VanDerWaalsContact C-N 3.34Å; A523-R525 VanDerWaalsContact C-N 3.32Å; A523-R525 PolarHBondContact O-N 3.28Å; A523-E526 PolarHBondContact O-N 3.3Å; A523-V527 WeakPolarHBondContact O-CG2 3.31Å; A523-V527 PolarHBondContact O-N 3.21Å; A523-V527 VanDerWaalsContact O-N 3.08Å
524V98.6Very high97.9Very high1 Ų122.1 Ų22.11%0.00611%0.106CC..Hα-helixtrans-57.8-45.3170.6168.70000111.3L410 L448 I453 L489 F493 L520 L521 V527 L528L410-V524 HydrophobicContact CD1-CG1 4.08Å; L448-V524 HydrophobicContact CB-CG2 4.24Å; L448-V524 HydrophobicContact CD1-CG2 4.4Å; L448-V524 HydrophobicContact CD2-CG2 4.18Å; I453-V524 HydrophobicContact CD1-CG2 4.09Å; L489-V524 HydrophobicContact CD1-CG1 3.93Å; F493-V524 HydrophobicContact CD2-CG1 4.47Å; L520-V524 PolarHBondContact O-N 3.18Å; L521-V524 HydrophobicContact CD2-CG2 4.42Å; L521-V524 PolarHBondContact O-N 3.1Å; V524-V527 PolarHBondContact O-N 2.89Å; V524-L528 VanDerWaalsContact O-CB 3.31Å; V524-L528 WeakPolarHBondContact O-CB 3.41Å; V524-L528 PolarHBondContact O-N 2.93Å
525R98.2Very high97.9Very high62 Ų6221.9 Ų21.923%0.23411%0.105CC..Hα-helixtrans-61.3-44.5178.3-173.7-178.570.8179.63.5111.7L410 F414 L521 R522 A523 L528 H529L410-R525 HydrophobicContact CD1-CB 4.27Å; F414-R525 HydrophobicContact CE2-CB 4.47Å; L521-R525 WeakPolarHBondContact O-CB 3Å; L521-R525 PolarHBondContact O-N 2.86Å; R522-R525 PolarHBondContact O-N 3.31Å; A523-R525 VanDerWaalsContact C-N 3.32Å; A523-R525 PolarHBondContact O-N 3.28Å; R525-L528 PolarHBondContact O-N 3.18Å; R525-H529 WeakPolarHBondContact CG-NE2 3.49Å; R525-H529 WeakPolarHBondContact O-CB 3.35Å; R525-H529 PolarHBondContact O-CD2 3.46Å; R525-H529 VanDerWaalsContact O-CD2 3.26Å; R525-H529 VanDerWaalsContact O-CG 3.24Å; R525-H529 PolarHBondContact O-N 2.84Å
526E97.9Very high97.9Very high73 Ų7321.6 Ų21.634%0.34111%0.107SC..Hα-helixtrans-59.4-50.4178.2-166.167.7-166.200111.2V102 A106 R522 A523 L528 H529 T530V102-E526 HydrophobicContact CG1-CB 3.79Å; V102-E526 HydrophobicContact CG1-CG 4.04Å; A106-E526 HydrophobicContact CB-CG 3.66Å; R522-E526 PolarHBondContact O-N 3.22Å; A523-E526 PolarHBondContact O-N 3.3Å; E526-L528 VanDerWaalsContact C-N 3.34Å; E526-L528 PolarHBondContact O-N 3.35Å; E526-H529 PolarHBondContact O-N 3.39Å; E526-T530 PolarHBondContact O-N 3.32Å; E526-T530 PolarHBondContact O-OG1 2.96Å; E526-T530 VanDerWaalsContact O-OG1 3.14Å
527V98.1Very high97.8Very high1 Ų121.8 Ų21.81%0.00611%0.108CC..Hα-helixtrans-60.6-42.5177.9167.80000111.9I453 F456 F485 L489 A523 V524 G531I453-V527 HydrophobicContact CG1-CG2 4.34Å; I453-V527 HydrophobicContact CG2-CG2 4.22Å; F456-V527 HydrophobicContact CB-CG1 4.11Å; F456-V527 HydrophobicContact CB-CG2 4.49Å; F456-V527 HydrophobicContact CD1-CB 4.13Å; F456-V527 HydrophobicContact CD1-CG1 3.64Å; F456-V527 HydrophobicContact CD1-CG2 3.86Å; F456-V527 HydrophobicContact CD2-CG1 3.89Å; F456-V527 HydrophobicContact CE1-CB 4.35Å; F456-V527 HydrophobicContact CE1-CG1 3.95Å; F456-V527 HydrophobicContact CE1-CG2 4.43Å; F456-V527 HydrophobicContact CE2-CG1 4.18Å; F456-V527 HydrophobicContact CG-CG1 3.62Å; F456-V527 HydrophobicContact CG-CG2 4.37Å; F456-V527 HydrophobicContact CZ-CG1 4.21Å; F485-V527 HydrophobicContact CE1-CG1 3.6Å; F485-V527 HydrophobicContact CZ-CG1 3.49Å; F485-V527 VanDerWaalsContact CZ-CG1 3.49Å; L489-V527 HydrophobicContact CD2-CG1 4.02Å; A523-V527 WeakPolarHBondContact O-CG2 3.31Å; A523-V527 PolarHBondContact O-N 3.21Å; A523-V527 VanDerWaalsContact O-N 3.08Å; V524-V527 PolarHBondContact O-N 2.89Å; V527-G531 PolarHBondContact O-N 3.26Å
528L98.3Very high97.7Very high2 Ų222.6 Ų22.61%0.0112%0.117CC..Hα-helixtrans-62-47.2176-178.964.3000111.4V403 C407 L410 L486 L489 V524 R525 E526 G531 L532V403-L528 HydrophobicContact CG1-CD1 3.82Å; C407-L528 HydrophobicContact CB-CD2 3.87Å; L410-L528 HydrophobicContact CD1-CD2 3.81Å; L486-L528 HydrophobicContact CD2-CD1 3.76Å; L489-L528 HydrophobicContact CD2-CB 4.04Å; L489-L528 HydrophobicContact CD2-CD1 4.24Å; V524-L528 VanDerWaalsContact O-CB 3.31Å; V524-L528 WeakPolarHBondContact O-CB 3.41Å; V524-L528 PolarHBondContact O-N 2.93Å; R525-L528 PolarHBondContact O-N 3.18Å; E526-L528 VanDerWaalsContact C-N 3.34Å; E526-L528 PolarHBondContact O-N 3.35Å; L528-G531 PolarHBondContact O-N 3.14Å; L528-L532 HydrophobicContact CG-CD1 4.27Å; L528-L532 WeakPolarHBondContact O-CG 3.37Å; L528-L532 PolarHBondContact O-N 2.7Å
529H98.1Very high97.5Very high48 Ų4825.8 Ų25.822%0.22214%0.138CC..Hα-helixtrans-64-44.7179.8-73.8-166.3000111.6R525 E526 G531 L532 A533 P539R525-H529 WeakPolarHBondContact CG-NE2 3.49Å; R525-H529 WeakPolarHBondContact O-CB 3.35Å; R525-H529 PolarHBondContact O-CD2 3.46Å; R525-H529 VanDerWaalsContact O-CD2 3.26Å; R525-H529 VanDerWaalsContact O-CG 3.24Å; R525-H529 PolarHBondContact O-N 2.84Å; E526-H529 PolarHBondContact O-N 3.39Å; H529-G531 VanDerWaalsContact C-N 3.34Å; H529-G531 PolarHBondContact O-N 2.89Å; H529-L532 PolarHBondContact O-N 3.18Å; H529-A533 WeakPolarHBondContact O-CB 3.29Å; H529-A533 PolarHBondContact O-N 3.04Å; H529-P539 WeakPolarHBondContact NE2-CB 3.32Å
530T97.8Very high97.2Very high30 Ų3026.3 Ų26.318%0.18414%0.141CC..Hα-helixtrans-59.2-46.9174.5-61.40000110.8A106 F456 L460 E526 L532 A533 M534A106-T530 WeakPolarHBondContact O-CG2 3.45Å; F456-T530 HydrophobicContact CE1-CG2 3.76Å; F456-T530 HydrophobicContact CZ-CG2 3.96Å; L460-T530 HydrophobicContact CD1-CG2 4.35Å; E526-T530 PolarHBondContact O-N 3.32Å; E526-T530 PolarHBondContact O-OG1 2.96Å; E526-T530 VanDerWaalsContact O-OG1 3.14Å; T530-L532 VanDerWaalsContact C-N 3.34Å; T530-L532 PolarHBondContact O-N 3.15Å; T530-A533 WeakPolarHBondContact O-CB 3.33Å; T530-A533 PolarHBondContact O-N 2.97Å; T530-M534 VanDerWaalsContact O-CG 3.31Å; T530-M534 WeakPolarHBondContact O-CG 3.39Å; T530-M534 PolarHBondContact O-N 3.37Å
531G97.6Very high96.6Very high0 Ų029.9 Ų29.90%017%0.166CC..Hα-helixtrans-60.8-39.8177.200000113.3V527 L528 H529 M534 L535V527-G531 PolarHBondContact O-N 3.26Å; L528-G531 PolarHBondContact O-N 3.14Å; H529-G531 VanDerWaalsContact C-N 3.34Å; H529-G531 PolarHBondContact O-N 2.89Å; G531-M534 WeakPolarHBondContact O-CB 3.44Å; G531-M534 PolarHBondContact O-N 3.13Å; G531-L535 PolarHBondContact O-N 3.22Å
532L98Very high95.8Very high0 Ų034.2 Ų34.20%019%0.186CC..Hα-helixtrans-65.9-41174.4-71.7173.7000111.9V403 M404 C407 L486 L528 H529 T530 M534 L535 G536 L537V403-L532 HydrophobicContact CG1-CD2 4.03Å; M404-L532 HydrophobicContact SD-CD1 4.18Å; M404-L532 HydrophobicContact SD-CD2 3.7Å; C407-L532 HydrophobicContact CB-CD1 4.22Å; L486-L532 HydrophobicContact CD1-CD2 4.24Å; L528-L532 HydrophobicContact CG-CD1 4.27Å; L528-L532 WeakPolarHBondContact O-CG 3.37Å; L528-L532 PolarHBondContact O-N 2.7Å; H529-L532 PolarHBondContact O-N 3.18Å; T530-L532 VanDerWaalsContact C-N 3.34Å; T530-L532 PolarHBondContact O-N 3.15Å; L532-M534 VanDerWaalsContact C-N 3.29Å; L532-M534 PolarHBondContact O-N 2.87Å; L532-L535 CarbonylContact O-C 3.38Å; L532-L535 WeakPolarHBondContact O-CA 3.48Å; L532-L535 WeakPolarHBondContact O-CB 3.45Å; L532-L535 PolarHBondContact O-N 3.33Å; L532-G536 PolarHBondContact O-N 3.43Å; L532-G536 VanDerWaalsContact O-N 3.1Å; L532-L537 CarbonylContact C-O 3.37Å; L532-L537 HydrophobicContact CB-CB 4.23Å; L532-L537 HydrophobicContact CD2-CB 4.11Å; L532-L537 HydrophobicContact CD2-CD1 4.05Å; L532-L537 PolarHBondContact O-N 3.34Å
533A96.9Very high94.6Very high56 Ų5630.7 Ų30.746%0.46318%0.175SC..Hα-helixtrans-62.3-35.8176.500000112.4R148 H529 T530 L535 G536R148-A533 PolarHBondContact NH1-O 2.92Å; H529-A533 WeakPolarHBondContact O-CB 3.29Å; H529-A533 PolarHBondContact O-N 3.04Å; T530-A533 WeakPolarHBondContact O-CB 3.33Å; T530-A533 PolarHBondContact O-N 2.97Å; A533-L535 PolarHBondContact O-N 2.98Å; A533-G536 PolarHBondContact O-N 2.95Å
534M96Very high94.4Very high13 Ų1332.3 Ų32.36%0.06418%0.184CC..Hα-helixtrans-60.8-28.3171.5-66.8-61.5-66.300112.7H145 R148 A149 A152 L460 I482 T530 G531 L532H145-M534 PolarHBondContact CE1-O 3.44Å; H145-M534 PolarHBondContact ND1-O 3.43Å; R148-M534 WeakPolarHBondContact CD-O 3.31Å; A149-M534 HydrophobicContact CB-CE 3.56Å; A152-M534 HydrophobicContact CB-SD 4.1Å; L460-M534 HydrophobicContact CD2-CE 4.47Å; L460-M534 HydrophobicContact CD2-CG 4.04Å; L460-M534 HydrophobicContact CD2-SD 4.42Å; I482-M534 HydrophobicContact CG2-CB 4.35Å; T530-M534 VanDerWaalsContact O-CG 3.31Å; T530-M534 WeakPolarHBondContact O-CG 3.39Å; T530-M534 PolarHBondContact O-N 3.37Å; G531-M534 WeakPolarHBondContact O-CB 3.44Å; G531-M534 PolarHBondContact O-N 3.13Å; L532-M534 VanDerWaalsContact C-N 3.29Å; L532-M534 PolarHBondContact O-N 2.87Å
535L96.9Very high94.2Very high2 Ų233.9 Ų33.91%0.0119%0.194CC..THydrogen-bonded Turntrans-91.81.5172.9-60.3175.2000112.4K371 F372 L375 I482 L486 G531 L532 A533 L537K371-L535 WeakPolarHBondContact CD-O 3.27Å; K371-L535 WeakPolarHBondContact CE-O 3.47Å; K371-L535 PolarHBondContact NZ-O 3.31Å; F372-L535 HydrophobicContact CD2-CD1 4.4Å; F372-L535 HydrophobicContact CE2-CD1 3.73Å; F372-L535 HydrophobicContact CZ-CD1 3.93Å; L375-L535 HydrophobicContact CD1-CD2 3.82Å; I482-L535 HydrophobicContact CG2-CD1 4.39Å; I482-L535 HydrophobicContact CG2-CD2 4.32Å; I482-L535 HydrophobicContact CG2-CG 4.12Å; L486-L535 HydrophobicContact CD1-CD1 3.64Å; G531-L535 PolarHBondContact O-N 3.22Å; L532-L535 CarbonylContact O-C 3.38Å; L532-L535 WeakPolarHBondContact O-CA 3.48Å; L532-L535 WeakPolarHBondContact O-CB 3.45Å; L532-L535 PolarHBondContact O-N 3.33Å; A533-L535 PolarHBondContact O-N 2.98Å; L535-L537 HydrophobicContact CB-CD1 4.03Å; L535-L537 HydrophobicContact CB-CG 4.12Å; L535-L537 HydrophobicContact CD1-CD1 4.21Å; L535-L537 PolarHBondContact O-N 2.75Å
536G96.4Very high94Very high11 Ų1132.3 Ų32.311%0.11319%0.191CC..THydrogen-bonded Turntrans63.526.8-172.800000114.8R176 L532 A533R176-G536 WeakPolarHBondContact CB-O 3.34Å; L532-G536 PolarHBondContact O-N 3.43Å; L532-G536 VanDerWaalsContact O-N 3.1Å; A533-G536 PolarHBondContact O-N 2.95Å
537L97.3Very high93.7Very high3 Ų329.9 Ų29.92%0.01618%0.183CC..PPolyproline II helixtrans-98.8127.5175.4-65.4171.6000108.9V367 A368 K371 F372 L532 L535V367-L537 HydrophobicContact CB-CD2 4.24Å; V367-L537 HydrophobicContact CG1-CD2 3.8Å; A368-L537 HydrophobicContact CB-CD1 3.89Å; A368-L537 HydrophobicContact CB-CD2 4.03Å; K371-L537 HydrophobicContact CD-CD2 4.18Å; K371-L537 HydrophobicContact CD-CG 4.28Å; F372-L537 HydrophobicContact CD2-CD1 4.42Å; F372-L537 HydrophobicContact CE2-CD1 3.95Å; L532-L537 CarbonylContact C-O 3.37Å; L532-L537 HydrophobicContact CB-CB 4.23Å; L532-L537 HydrophobicContact CD2-CB 4.11Å; L532-L537 HydrophobicContact CD2-CD1 4.05Å; L532-L537 PolarHBondContact O-N 3.34Å; L535-L537 HydrophobicContact CB-CD1 4.03Å; L535-L537 HydrophobicContact CB-CG 4.12Å; L535-L537 HydrophobicContact CD1-CD1 4.21Å; L535-L537 PolarHBondContact O-N 2.75Å
538P95.7Very high93.5Very high48 Ų4831.8 Ų31.831%0.31219%0.194SC..PPolyproline II helixtrans-72.5148.3172.631-34000110.4V364 M404V364-P538 HydrophobicContact CG1-CG 4.11Å; V364-P538 HydrophobicContact CG2-CG 3.76Å; M404-P538 WeakPolarHBondContact CE-O 3.5Å
539P94.5Very high93.1Very high67 Ų6733.7 Ų33.744%0.43521%0.206SC..PPolyproline II helixtrans-66.2138.4170.228.9-33.4000110.3H529H529-P539 WeakPolarHBondContact NE2-CB 3.32Å
540L92.1Very high92.8Very high17 Ų1732.7 Ų32.79%0.08921%0.205CC..PPolyproline II helixtrans-91.6139.4172.6-70.1-179.3000110.7I361 V364 L365 M404 A408I361-L540 HydrophobicContact CG1-CD2 4.32Å; I361-L540 HydrophobicContact CG2-CD1 4.33Å; V364-L540 HydrophobicContact CB-CD2 4.24Å; V364-L540 HydrophobicContact CG1-CD1 4.28Å; V364-L540 HydrophobicContact CG1-CD2 3.96Å; V364-L540 HydrophobicContact CG1-CG 4.11Å; V364-L540 HydrophobicContact CG2-CD2 4.45Å; L365-L540 HydrophobicContact CD2-CD1 3.94Å; L365-L540 HydrophobicContact CG-CD1 4.3Å; M404-L540 HydrophobicContact CB-CD1 4.12Å; M404-L540 HydrophobicContact CE-CB 4.41Å; M404-L540 HydrophobicContact CE-CD1 3.92Å; M404-L540 HydrophobicContact CE-CG 3.62Å; A408-L540 WeakPolarHBondContact CA-O 3.33Å; A408-L540 HydrophobicContact CB-CB 4.4Å
541S85.8Confident92.4Very high76 Ų7632.9 Ų32.953%0.53121%0.206SC..SBendtrans-88.2-26.2176.256.40000113.3A411A411-S541 WeakPolarHBondContact CB-O 3.24Å
542H80.3Confident92Very high90 Ų9035.7 Ų35.742%0.41722%0.223SC..  trans-155.4159.3179.860.9-74.1000110.3I361I361-H542 WeakPolarHBondContact CD1-NE2 3.47Å
543I73.9Confident91.4Very high45 Ų4538.9 Ų38.923%0.23124%0.244CC..  trans-161.80177.9-167.6178.7000110.8H348 W358 I361 L365 Y405 A408H348-I543 PolarHBondContact CE1-OXT 2.67Å; H348-I543 PolarHBondContact NE2-OXT 2.77Å; W358-I543 VanDerWaalsContact CH2-OXT 3.31Å; W358-I543 WeakPolarHBondContact CH2-OXT 3.2Å; I361-I543 HydrophobicContact CG2-CG1 4.46Å; L365-I543 HydrophobicContact CD1-CD1 3.62Å; L365-I543 HydrophobicContact CD1-CG1 4.04Å; L365-I543 HydrophobicContact CD2-CD1 3.51Å; L365-I543 HydrophobicContact CG-CD1 4.14Å; Y405-I543 HydrophobicContact CD2-CG2 3.6Å; Y405-I543 HydrophobicContact CE2-CG2 4.34Å; A408-I543 HydrophobicContact CB-CB 4.11Å; A408-I543 HydrophobicContact CB-CG2 3.56Å

Retrieved 543 of 543 residues in 478.5 ms (Link to these results)

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