A0A3Q0KI20_SCHMA Loading...

Putative faf1 protein

AlphaFold DB , UniProt , Accession A0A3Q0KI20, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 987 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
1M80.5Confident85.6Confident105 Ų10562.4 Ų62.452%0.51737%0.374SS..  0-66.90-165.4175.7-86.300111.1E3 N4 F5 W26M1-E3 VanDerWaalsContact C-N 3.27Å; M1-E3 PolarHBondContact O-N 3.09Å; M1-N4 WeakPolarHBondContact CA-OD1 3.38Å; M1-N4 PolarHBondContact N-OD1 2.98Å; M1-N4 WeakPolarHBondContact O-CB 3.45Å; M1-N4 PolarHBondContact O-N 2.78Å; M1-N4 VanDerWaalsContact O-N 3.11Å; M1-F5 PolarHBondContact O-N 2.9Å; M1-W26 HydrophobicContact CG-CE3 4.27Å; M1-W26 HydrophobicContact SD-CB 4.07Å; M1-W26 HydrophobicContact SD-CE3 3.85Å; M1-W26 VanDerWaalsContact SD-O 3.37Å
2L85.6Confident85.3Confident26 Ų2668.9 Ų68.914%0.13642%0.415CS..Hα-helixtrans-51.5-45.2171.1171.158.4000112.2N4 F5 L6 I14 A17 I18 M21 W26L2-N4 PolarHBondContact O-N 3.15Å; L2-F5 WeakPolarHBondContact O-CB 3.46Å; L2-F5 PolarHBondContact O-N 2.84Å; L2-F5 VanDerWaalsContact O-N 3.14Å; L2-L6 HydrophobicContact CD1-CD1 3.79Å; L2-L6 HydrophobicContact CD1-CD2 4.36Å; L2-L6 HydrophobicContact CD1-CG 3.86Å; L2-L6 HydrophobicContact CG-CD1 3.89Å; L2-L6 HydrophobicContact CG-CG 4.4Å; L2-L6 VanDerWaalsContact O-CG 3.31Å; L2-L6 WeakPolarHBondContact O-CG 3.41Å; L2-L6 PolarHBondContact O-N 2.61Å; L2-I14 HydrophobicContact CD1-CG2 4.47Å; L2-I14 HydrophobicContact CD2-CG2 4.13Å; L2-A17 HydrophobicContact CD1-CB 4.43Å; L2-I18 HydrophobicContact CD1-CG1 3.9Å; L2-I18 HydrophobicContact CD2-CD1 4.06Å; L2-I18 HydrophobicContact CD2-CG1 4.01Å; L2-M21 HydrophobicContact CB-CE 3.83Å; L2-M21 HydrophobicContact CD1-CE 3.33Å; L2-M21 HydrophobicContact CG-CE 4.12Å; L2-W26 HydrophobicContact CB-CZ3 4.2Å
3E87.4Confident85.1Confident154 Ų15470.1 Ų70.172%0.7242%0.418SS*.Hα-helixtrans-60-45.7176.4-61.4168.4137.500112.4M1 F5 L6 A7M1-E3 VanDerWaalsContact C-N 3.27Å; M1-E3 PolarHBondContact O-N 3.09Å; E3-F5 VanDerWaalsContact C-N 3.28Å; E3-F5 PolarHBondContact O-N 3.11Å; E3-L6 PolarHBondContact O-N 3.02Å; E3-A7 VanDerWaalsContact O-CB 3.27Å; E3-A7 WeakPolarHBondContact O-CB 3.45Å; E3-A7 PolarHBondContact O-N 3.38Å
4N87.6Confident85.2Confident83 Ų8370.3 Ų70.344%0.44442%0.415SS..Hα-helixtrans-59-41.9174.1-48.755.3000110.9M1 L2 A7 C8 L28M1-N4 WeakPolarHBondContact CA-OD1 3.38Å; M1-N4 PolarHBondContact N-OD1 2.98Å; M1-N4 WeakPolarHBondContact O-CB 3.45Å; M1-N4 PolarHBondContact O-N 2.78Å; M1-N4 VanDerWaalsContact O-N 3.11Å; L2-N4 PolarHBondContact O-N 3.15Å; N4-A7 PolarHBondContact O-N 2.77Å; N4-C8 WeakPolarHBondContact O-CB 3.07Å; N4-C8 PolarHBondContact O-N 2.9Å; N4-C8 PolarHBondContact O-SG 2.9Å; N4-L28 HydrophobicContact CB-CD1 4.45Å; N4-L28 HydrophobicContact CB-CD2 4.12Å
5F88.6Confident85.1Confident0 Ų071.5 Ų71.50%042%0.423CS..Hα-helixtrans-64.9-47.8179.4-174.2-110.4000111.9M1 L2 E3 A7 C8 T9 L11 A17 I20 M21 L28 A31 V32 I35M1-F5 PolarHBondContact O-N 2.9Å; L2-F5 WeakPolarHBondContact O-CB 3.46Å; L2-F5 PolarHBondContact O-N 2.84Å; L2-F5 VanDerWaalsContact O-N 3.14Å; E3-F5 VanDerWaalsContact C-N 3.28Å; E3-F5 PolarHBondContact O-N 3.11Å; F5-A7 VanDerWaalsContact C-N 3.32Å; F5-A7 PolarHBondContact O-N 3.04Å; F5-C8 PolarHBondContact O-N 3.25Å; F5-T9 HydrophobicContact CD2-CG2 3.92Å; F5-T9 HydrophobicContact CE1-CG2 4.34Å; F5-T9 HydrophobicContact CE2-CG2 3.71Å; F5-T9 HydrophobicContact CG-CG2 4.34Å; F5-T9 HydrophobicContact CZ-CG2 3.98Å; F5-T9 VanDerWaalsContact O-CB 3.3Å; F5-T9 WeakPolarHBondContact O-CB 3.5Å; F5-T9 WeakPolarHBondContact O-CG2 3.48Å; F5-T9 PolarHBondContact O-N 2.67Å; F5-T9 PolarHBondContact O-OG1 2.71Å; F5-L11 HydrophobicContact CE1-CD1 4.38Å; F5-A17 HydrophobicContact CD1-CB 3.98Å; F5-A17 HydrophobicContact CE1-CB 3.92Å; F5-A17 WeakPolarHBondContact CE1-O 3.38Å; F5-I20 HydrophobicContact CE1-CB 4.46Å; F5-I20 HydrophobicContact CZ-CB 4.09Å; F5-I20 HydrophobicContact CZ-CG2 3.83Å; F5-M21 HydrophobicContact CB-CE 4.41Å; F5-M21 HydrophobicContact CB-CG 4.34Å; F5-M21 HydrophobicContact CB-SD 3.52Å; F5-M21 VanDerWaalsContact CB-SD 3.52Å; F5-M21 HydrophobicContact CD1-CE 4.02Å; F5-M21 HydrophobicContact CD1-CG 3.63Å; F5-M21 HydrophobicContact CD1-SD 3.72Å; F5-M21 HydrophobicContact CD2-CG 3.92Å; F5-M21 HydrophobicContact CD2-SD 4.18Å; F5-M21 HydrophobicContact CE1-CG 3.75Å; F5-M21 HydrophobicContact CE1-SD 4.44Å; F5-M21 HydrophobicContact CE2-CG 4.03Å; F5-M21 HydrophobicContact CG-CE 4.4Å; F5-M21 HydrophobicContact CG-CG 3.69Å; F5-M21 HydrophobicContact CG-SD 3.54Å; F5-M21 VanDerWaalsContact CG-SD 3.54Å; F5-M21 HydrophobicContact CZ-CG 3.91Å; F5-L28 HydrophobicContact CB-CD1 3.67Å; F5-L28 HydrophobicContact CD2-CD1 3.88Å; F5-L28 HydrophobicContact CG-CD1 4.27Å; F5-A31 HydrophobicContact CD2-CB 4.1Å; F5-A31 HydrophobicContact CE2-CB 3.38Å; F5-A31 HydrophobicContact CZ-CB 3.93Å; F5-V32 HydrophobicContact CD2-CG2 3.67Å; F5-V32 HydrophobicContact CE2-CG2 3.88Å; F5-I35 HydrophobicContact CE1-CD1 3.92Å; F5-I35 HydrophobicContact CE2-CD1 3.97Å; F5-I35 HydrophobicContact CZ-CD1 3.29Å; F5-I35 HydrophobicContact CZ-CG1 4.5Å
6L89.2Confident85.1Confident37 Ų3774.8 Ų74.819%0.19443%0.427CS..Hα-helixtrans-59.2-42.9173.5-66.8165.8000111.1L2 E3 G10 L11 I14 A17L2-L6 HydrophobicContact CD1-CD1 3.79Å; L2-L6 HydrophobicContact CD1-CD2 4.36Å; L2-L6 HydrophobicContact CD1-CG 3.86Å; L2-L6 HydrophobicContact CG-CD1 3.89Å; L2-L6 HydrophobicContact CG-CG 4.4Å; L2-L6 VanDerWaalsContact O-CG 3.31Å; L2-L6 WeakPolarHBondContact O-CG 3.41Å; L2-L6 PolarHBondContact O-N 2.61Å; E3-L6 PolarHBondContact O-N 3.02Å; L6-G10 WeakPolarHBondContact O-CA 3.48Å; L6-G10 PolarHBondContact O-N 2.99Å; L6-L11 HydrophobicContact CD2-CB 4.36Å; L6-L11 VanDerWaalsContact CD2-O 3.23Å; L6-L11 WeakPolarHBondContact CD2-O 3.47Å; L6-I14 HydrophobicContact CD1-CG1 4.22Å; L6-I14 HydrophobicContact CD2-CG1 4.31Å; L6-A17 HydrophobicContact CD2-CB 3.48Å; L6-A17 VanDerWaalsContact CD2-CB 3.48Å; L6-A17 HydrophobicContact CG-CB 4.43Å
7A84.3Confident85.2Confident77 Ų7770.4 Ų70.464%0.63640%0.402SS*.Hα-helixtrans-66.6-40.7178.800000113.4E3 N4 F5E3-A7 VanDerWaalsContact O-CB 3.27Å; E3-A7 WeakPolarHBondContact O-CB 3.45Å; E3-A7 PolarHBondContact O-N 3.38Å; N4-A7 PolarHBondContact O-N 2.77Å; F5-A7 VanDerWaalsContact C-N 3.32Å; F5-A7 PolarHBondContact O-N 3.04Å
8C83.7Confident85.1Confident87 Ų8767.1 Ų67.159%0.58838%0.383SS*.Hα-helixtrans-75.3-34.6178.4-70.70000113.1N4 F5 V32N4-C8 WeakPolarHBondContact O-CB 3.07Å; N4-C8 PolarHBondContact O-N 2.9Å; N4-C8 PolarHBondContact O-SG 2.9Å; F5-C8 PolarHBondContact O-N 3.25Å; C8-V32 HydrophobicContact CB-CG2 4.24Å
9T86.6Confident85.3Confident28 Ų2865.8 Ų65.817%0.17238%0.379CS..Hα-helixtrans-92.8-21.8-175.861.50000113.4F5 L11 V32 I35F5-T9 HydrophobicContact CD2-CG2 3.92Å; F5-T9 HydrophobicContact CE1-CG2 4.34Å; F5-T9 HydrophobicContact CE2-CG2 3.71Å; F5-T9 HydrophobicContact CG-CG2 4.34Å; F5-T9 HydrophobicContact CZ-CG2 3.98Å; F5-T9 VanDerWaalsContact O-CB 3.3Å; F5-T9 WeakPolarHBondContact O-CB 3.5Å; F5-T9 WeakPolarHBondContact O-CG2 3.48Å; F5-T9 PolarHBondContact O-N 2.67Å; F5-T9 PolarHBondContact O-OG1 2.71Å; T9-L11 PolarHBondContact O-N 2.61Å; T9-L11 PolarHBondContact OG1-N 3.35Å; T9-V32 HydrophobicContact CG2-CG2 4.17Å; T9-I35 HydrophobicContact CG2-CB 4.41Å; T9-I35 HydrophobicContact CG2-CD1 3.44Å; T9-I35 VanDerWaalsContact CG2-CD1 3.44Å; T9-I35 HydrophobicContact CG2-CG2 4.36Å
10G84.3Confident85.3Confident48 Ų4863.2 Ų63.250%0.49536%0.363SS..  trans70.410-173.700000114.5L6 T12L6-G10 WeakPolarHBondContact O-CA 3.48Å; L6-G10 PolarHBondContact O-N 2.99Å; G10-T12 PolarHBondContact O-N 2.97Å
11L83.7Confident85.5Confident41 Ų4160.1 Ų60.122%0.21535%0.345CS..  trans-65.6128.8177-71.2-179.1000111F5 L6 T9 Y16 A17 I20 I35F5-L11 HydrophobicContact CE1-CD1 4.38Å; L6-L11 HydrophobicContact CD2-CB 4.36Å; L6-L11 VanDerWaalsContact CD2-O 3.23Å; L6-L11 WeakPolarHBondContact CD2-O 3.47Å; T9-L11 PolarHBondContact O-N 2.61Å; T9-L11 PolarHBondContact OG1-N 3.35Å; L11-Y16 HydrophobicContact CD1-CD1 3.91Å; L11-Y16 HydrophobicContact CD1-CE1 4.29Å; L11-Y16 HydrophobicContact CD2-CD1 3.97Å; L11-Y16 HydrophobicContact CD2-CE1 4.14Å; L11-A17 HydrophobicContact CB-CB 4.22Å; L11-A17 HydrophobicContact CD1-CB 3.86Å; L11-I20 HydrophobicContact CD1-CD1 4.44Å; L11-I35 HydrophobicContact CD1-CD1 3.6Å; L11-I35 HydrophobicContact CG-CD1 4.4Å
12T82.4Confident85.8Confident141 Ų14157.2 Ų57.287%0.86533%0.33SS*.  trans-94.5-22.3172.551.90000113G10 I14G10-T12 PolarHBondContact O-N 2.97Å; T12-I14 PolarHBondContact O-N 3.28Å
13D82Confident85.8Confident84 Ų8462 Ų6245%0.44936%0.356SS..  trans-80.898.5170.7-174.1-9.8000110T15 Y16 A17D13-T15 PolarHBondContact O-N 3.15Å; D13-T15 WeakPolarHBondContact OD1-CA 3.48Å; D13-T15 WeakPolarHBondContact OD1-CB 3.45Å; D13-T15 PolarHBondContact OD1-N 3.08Å; D13-T15 PolarHBondContact OD1-OG1 3.15Å; D13-T15 VanDerWaalsContact OD1-OG1 3.08Å; D13-Y16 PolarHBondContact O-N 3.24Å; D13-Y16 PolarHBondContact OD1-N 3.19Å; D13-A17 WeakPolarHBondContact O-CB 3.42Å; D13-A17 PolarHBondContact O-N 3.11Å
14I86.2Confident85.9Confident73 Ų7357.2 Ų57.237%0.37433%0.334SS..Hα-helixtrans-59.8-29.9176.9-58.1176.5000111.3L2 L6 T12 I18L2-I14 HydrophobicContact CD1-CG2 4.47Å; L2-I14 HydrophobicContact CD2-CG2 4.13Å; L6-I14 HydrophobicContact CD1-CG1 4.22Å; L6-I14 HydrophobicContact CD2-CG1 4.31Å; T12-I14 PolarHBondContact O-N 3.28Å; I14-I18 HydrophobicContact CG2-CD1 3.85Å; I14-I18 HydrophobicContact CG2-CG1 4.38Å; I14-I18 WeakPolarHBondContact O-CB 3.46Å; I14-I18 WeakPolarHBondContact O-CD1 3.42Å; I14-I18 WeakPolarHBondContact O-CG1 3.27Å; I14-I18 PolarHBondContact O-N 2.93Å
15T84.6Confident85.9Confident88 Ų8859.9 Ų59.954%0.5435%0.348SS..Hα-helixtrans-69.5-48.8179.8-36.10000110.8D13 A17 I18 S19D13-T15 PolarHBondContact O-N 3.15Å; D13-T15 WeakPolarHBondContact OD1-CA 3.48Å; D13-T15 WeakPolarHBondContact OD1-CB 3.45Å; D13-T15 PolarHBondContact OD1-N 3.08Å; D13-T15 PolarHBondContact OD1-OG1 3.15Å; D13-T15 VanDerWaalsContact OD1-OG1 3.08Å; T15-A17 VanDerWaalsContact C-N 3.33Å; T15-I18 PolarHBondContact O-N 3.42Å; T15-S19 PolarHBondContact O-N 3.48Å; T15-S19 PolarHBondContact O-OG 3Å
16Y84.9Confident85.8Confident125 Ų12561.9 Ų61.949%0.4936%0.356SS..Hα-helixtrans-64.8-39176.1-177.7-122.1000111.5L11 D13 S19 I20L11-Y16 HydrophobicContact CD1-CD1 3.91Å; L11-Y16 HydrophobicContact CD1-CE1 4.29Å; L11-Y16 HydrophobicContact CD2-CD1 3.97Å; L11-Y16 HydrophobicContact CD2-CE1 4.14Å; D13-Y16 PolarHBondContact O-N 3.24Å; D13-Y16 PolarHBondContact OD1-N 3.19Å; Y16-S19 WeakPolarHBondContact CA-OG 3.3Å; Y16-S19 PolarHBondContact O-N 3.36Å; Y16-S19 PolarHBondContact O-OG 2.95Å; Y16-I20 HydrophobicContact CD1-CD1 4.15Å; Y16-I20 HydrophobicContact CD2-CD1 4.37Å; Y16-I20 HydrophobicContact CE1-CD1 3.7Å; Y16-I20 HydrophobicContact CE2-CD1 3.93Å; Y16-I20 HydrophobicContact CE2-CG1 4.35Å; Y16-I20 HydrophobicContact CG-CD1 4.48Å; Y16-I20 WeakPolarHBondContact O-CG1 3.36Å; Y16-I20 PolarHBondContact O-N 3.09Å; Y16-I20 VanDerWaalsContact O-N 3.16Å
17A86.2Confident85.7Confident0 Ų064 Ų640%037%0.367CS..Hα-helixtrans-63.3-41175.200000112.6L2 F5 L6 L11 D13 T15 M21L2-A17 HydrophobicContact CD1-CB 4.43Å; F5-A17 HydrophobicContact CD1-CB 3.98Å; F5-A17 HydrophobicContact CE1-CB 3.92Å; F5-A17 WeakPolarHBondContact CE1-O 3.38Å; L6-A17 HydrophobicContact CD2-CB 3.48Å; L6-A17 VanDerWaalsContact CD2-CB 3.48Å; L6-A17 HydrophobicContact CG-CB 4.43Å; L11-A17 HydrophobicContact CB-CB 4.22Å; L11-A17 HydrophobicContact CD1-CB 3.86Å; D13-A17 WeakPolarHBondContact O-CB 3.42Å; D13-A17 PolarHBondContact O-N 3.11Å; T15-A17 VanDerWaalsContact C-N 3.33Å; A17-M21 PolarHBondContact O-N 3.23Å
18I84.6Confident85.7Confident11 Ų1162.4 Ų62.46%0.05635%0.348CS..Hα-helixtrans-64-46.1173.9-72.1165.8000110.7L2 I14 T15 I20 M21 E22 W26 I125L2-I18 HydrophobicContact CD1-CG1 3.9Å; L2-I18 HydrophobicContact CD2-CD1 4.06Å; L2-I18 HydrophobicContact CD2-CG1 4.01Å; I14-I18 HydrophobicContact CG2-CD1 3.85Å; I14-I18 HydrophobicContact CG2-CG1 4.38Å; I14-I18 WeakPolarHBondContact O-CB 3.46Å; I14-I18 WeakPolarHBondContact O-CD1 3.42Å; I14-I18 WeakPolarHBondContact O-CG1 3.27Å; I14-I18 PolarHBondContact O-N 2.93Å; T15-I18 PolarHBondContact O-N 3.42Å; I18-I20 VanDerWaalsContact C-N 3.31Å; I18-I20 PolarHBondContact O-N 3.18Å; I18-M21 HydrophobicContact CG1-CE 4.47Å; I18-M21 PolarHBondContact O-N 2.91Å; I18-E22 HydrophobicContact CG2-CG 4.12Å; I18-E22 WeakPolarHBondContact O-CG 3.47Å; I18-E22 PolarHBondContact O-N 3.12Å; I18-W26 HydrophobicContact CG2-CZ2 4.45Å; I18-I125 HydrophobicContact CD1-CB 4.14Å; I18-I125 HydrophobicContact CD1-CG2 3.84Å
19S87.7Confident85.9Confident43 Ų4365.2 Ų65.230%0.30135%0.354SS..Hα-helixtrans-59.3-40.5-178.849.90000112.8T15 Y16 M21 E22 D23T15-S19 PolarHBondContact O-N 3.48Å; T15-S19 PolarHBondContact O-OG 3Å; Y16-S19 WeakPolarHBondContact CA-OG 3.3Å; Y16-S19 PolarHBondContact O-N 3.36Å; Y16-S19 PolarHBondContact O-OG 2.95Å; S19-M21 PolarHBondContact O-N 2.89Å; S19-E22 PolarHBondContact O-N 3.23Å; S19-D23 VanDerWaalsContact O-CG 3.3Å; S19-D23 PolarHBondContact O-N 2.74Å
20I86.3Confident85.9Confident12 Ų1265.4 Ų65.46%0.06236%0.359CS..Hα-helixtrans-66.9-40.1179-64.8172.1000111.3F5 L11 Y16 I18 H24 A31 I35F5-I20 HydrophobicContact CE1-CB 4.46Å; F5-I20 HydrophobicContact CZ-CB 4.09Å; F5-I20 HydrophobicContact CZ-CG2 3.83Å; L11-I20 HydrophobicContact CD1-CD1 4.44Å; Y16-I20 HydrophobicContact CD1-CD1 4.15Å; Y16-I20 HydrophobicContact CD2-CD1 4.37Å; Y16-I20 HydrophobicContact CE1-CD1 3.7Å; Y16-I20 HydrophobicContact CE2-CD1 3.93Å; Y16-I20 HydrophobicContact CE2-CG1 4.35Å; Y16-I20 HydrophobicContact CG-CD1 4.48Å; Y16-I20 WeakPolarHBondContact O-CG1 3.36Å; Y16-I20 PolarHBondContact O-N 3.09Å; Y16-I20 VanDerWaalsContact O-N 3.16Å; I18-I20 VanDerWaalsContact C-N 3.31Å; I18-I20 PolarHBondContact O-N 3.18Å; I20-H24 WeakPolarHBondContact O-CB 3.47Å; I20-H24 PolarHBondContact O-N 3.49Å; I20-H24 VanDerWaalsContact O-N 3.12Å; I20-H24 PolarHBondContact O-ND1 3.32Å; I20-A31 HydrophobicContact CG2-CB 4.38Å; I20-I35 HydrophobicContact CD1-CD1 3.73Å; I20-I35 HydrophobicContact CD1-CG1 3.64Å; I20-I35 HydrophobicContact CG2-CD1 4.12Å; I20-I35 HydrophobicContact CG2-CG1 4.16Å
21M89.8Confident86Confident0 Ų063.1 Ų63.10%034%0.335CS..Hα-helixtrans-66.2-37.4173.7-72.4-172.6-61.900112.4L2 F5 A17 I18 S19 H24 N25 W26 A31L2-M21 HydrophobicContact CB-CE 3.83Å; L2-M21 HydrophobicContact CD1-CE 3.33Å; L2-M21 HydrophobicContact CG-CE 4.12Å; F5-M21 HydrophobicContact CB-CE 4.41Å; F5-M21 HydrophobicContact CB-CG 4.34Å; F5-M21 HydrophobicContact CB-SD 3.52Å; F5-M21 VanDerWaalsContact CB-SD 3.52Å; F5-M21 HydrophobicContact CD1-CE 4.02Å; F5-M21 HydrophobicContact CD1-CG 3.63Å; F5-M21 HydrophobicContact CD1-SD 3.72Å; F5-M21 HydrophobicContact CD2-CG 3.92Å; F5-M21 HydrophobicContact CD2-SD 4.18Å; F5-M21 HydrophobicContact CE1-CG 3.75Å; F5-M21 HydrophobicContact CE1-SD 4.44Å; F5-M21 HydrophobicContact CE2-CG 4.03Å; F5-M21 HydrophobicContact CG-CE 4.4Å; F5-M21 HydrophobicContact CG-CG 3.69Å; F5-M21 HydrophobicContact CG-SD 3.54Å; F5-M21 VanDerWaalsContact CG-SD 3.54Å; F5-M21 HydrophobicContact CZ-CG 3.91Å; A17-M21 PolarHBondContact O-N 3.23Å; I18-M21 HydrophobicContact CG1-CE 4.47Å; I18-M21 PolarHBondContact O-N 2.91Å; S19-M21 PolarHBondContact O-N 2.89Å; M21-H24 CarbonylContact O-C 3.6Å; M21-H24 VanDerWaalsContact O-C 3.29Å; M21-H24 PolarHBondContact O-N 3.14Å; M21-N25 PolarHBondContact O-N 2.89Å; M21-N25 VanDerWaalsContact O-N 3.13Å; M21-W26 HydrophobicContact CB-CD2 4.11Å; M21-W26 HydrophobicContact CB-CE3 4.19Å; M21-W26 HydrophobicContact CE-CE3 3.94Å; M21-W26 HydrophobicContact CE-CH2 3.48Å; M21-W26 VanDerWaalsContact CE-CH2 3.48Å; M21-W26 HydrophobicContact CE-CZ2 4.28Å; M21-W26 HydrophobicContact CE-CZ3 3.28Å; M21-W26 WeakPolarHBondContact O-CA 3.39Å; M21-W26 PolarHBondContact O-N 3.27Å; M21-W26 HydrophobicContact SD-CE3 3.75Å; M21-W26 HydrophobicContact SD-CH2 4.4Å; M21-W26 HydrophobicContact SD-CZ3 3.66Å; M21-A31 HydrophobicContact CG-CB 4.08Å
22E86.2Confident86.2Confident43 Ų4362.4 Ų62.420%0.20133%0.332CS..Hα-helixtrans-63.7-45.3175.9-71.5-178.611300111.8I18 S19 H24 N25 W26 K223I18-E22 HydrophobicContact CG2-CG 4.12Å; I18-E22 WeakPolarHBondContact O-CG 3.47Å; I18-E22 PolarHBondContact O-N 3.12Å; S19-E22 PolarHBondContact O-N 3.23Å; E22-H24 PolarHBondContact O-N 3.22Å; E22-N25 PolarHBondContact O-N 2.71Å; E22-N25 VanDerWaalsContact O-N 3.07Å; E22-W26 HydrophobicContact CG-CZ2 4.4Å; E22-K223 WeakPolarHBondContact OE1-CE 3.41Å; E22-K223 IonicContact OE1-NZ 2.67Å; E22-K223 PolarHBondContact OE1-NZ 2.92Å; E22-K223 IonicContact OE2-NZ 2.69Å; E22-K223 PolarHBondContact OE2-NZ 3.02Å
23D86Confident86.3Confident127 Ų12758.9 Ų58.968%0.67931%0.313SS*.Hα-helixtrans-60.9-26.4175-70.5-25.1000112.4S19S19-D23 VanDerWaalsContact O-CG 3.3Å; S19-D23 PolarHBondContact O-N 2.74Å
24H89Confident86.5Confident54 Ų5456.2 Ų56.225%0.2530%0.301CS..THydrogen-bonded Turntrans-103.123.2176.7-6686.4000113.5I20 M21 E22 W26 D27 A30 A31 S34I20-H24 WeakPolarHBondContact O-CB 3.47Å; I20-H24 PolarHBondContact O-N 3.49Å; I20-H24 VanDerWaalsContact O-N 3.12Å; I20-H24 PolarHBondContact O-ND1 3.32Å; M21-H24 CarbonylContact O-C 3.6Å; M21-H24 VanDerWaalsContact O-C 3.29Å; M21-H24 PolarHBondContact O-N 3.14Å; E22-H24 PolarHBondContact O-N 3.22Å; H24-W26 PolarHBondContact O-N 3.46Å; H24-D27 WeakPolarHBondContact O-CB 3.27Å; H24-D27 PolarHBondContact O-N 2.98Å; H24-A30 HydrophobicContact CB-CB 4.24Å; H24-A31 HydrophobicContact CB-CB 3.8Å; H24-S34 WeakPolarHBondContact CE1-CB 3.3Å; H24-S34 PolarHBondContact CE1-OG 3.49Å; H24-S34 VanDerWaalsContact NE2-CB 3.3Å; H24-S34 WeakPolarHBondContact NE2-CB 2.18Å
25N87.7Confident86.3Confident139 Ų13953.8 Ų53.874%0.74329%0.289SS*.THydrogen-bonded Turntrans5623.2175-74.3103000115.6M21 E22 D27M21-N25 PolarHBondContact O-N 2.89Å; M21-N25 VanDerWaalsContact O-N 3.13Å; E22-N25 PolarHBondContact O-N 2.71Å; E22-N25 VanDerWaalsContact O-N 3.07Å; N25-D27 PolarHBondContact O-N 3.21Å
26W86.4Confident86Confident42 Ų4254.8 Ų54.816%0.15929%0.29CS..THydrogen-bonded Turntrans61.419.2-170.5-65.377.1000114.9M1 L2 I18 M21 E22 H24 L28 I125M1-W26 HydrophobicContact CG-CE3 4.27Å; M1-W26 HydrophobicContact SD-CB 4.07Å; M1-W26 HydrophobicContact SD-CE3 3.85Å; M1-W26 VanDerWaalsContact SD-O 3.37Å; L2-W26 HydrophobicContact CB-CZ3 4.2Å; I18-W26 HydrophobicContact CG2-CZ2 4.45Å; M21-W26 HydrophobicContact CB-CD2 4.11Å; M21-W26 HydrophobicContact CB-CE3 4.19Å; M21-W26 HydrophobicContact CE-CE3 3.94Å; M21-W26 HydrophobicContact CE-CH2 3.48Å; M21-W26 VanDerWaalsContact CE-CH2 3.48Å; M21-W26 HydrophobicContact CE-CZ2 4.28Å; M21-W26 HydrophobicContact CE-CZ3 3.28Å; M21-W26 WeakPolarHBondContact O-CA 3.39Å; M21-W26 PolarHBondContact O-N 3.27Å; M21-W26 HydrophobicContact SD-CE3 3.75Å; M21-W26 HydrophobicContact SD-CH2 4.4Å; M21-W26 HydrophobicContact SD-CZ3 3.66Å; E22-W26 HydrophobicContact CG-CZ2 4.4Å; H24-W26 PolarHBondContact O-N 3.46Å; W26-L28 PolarHBondContact O-N 2.96Å; W26-L28 VanDerWaalsContact O-N 3.11Å; W26-I125 HydrophobicContact CH2-CD1 4.35Å; W26-I125 HydrophobicContact CH2-CG1 3.57Å; W26-I125 HydrophobicContact CZ2-CG1 3.83Å
27D86.7Confident85.2Confident81 Ų8152.3 Ų52.343%0.43329%0.291SS..  trans-70.8103.4160.8-179.2-10.9000108.8H24 N25 M29 A30 A31H24-D27 WeakPolarHBondContact O-CB 3.27Å; H24-D27 PolarHBondContact O-N 2.98Å; N25-D27 PolarHBondContact O-N 3.21Å; D27-M29 PolarHBondContact O-N 3.4Å; D27-M29 WeakPolarHBondContact OD1-CA 3.49Å; D27-M29 WeakPolarHBondContact OD1-CB 3.1Å; D27-M29 PolarHBondContact OD1-N 2.71Å; D27-A30 HydrophobicContact CB-CB 3.87Å; D27-A30 PolarHBondContact O-N 2.82Å; D27-A30 PolarHBondContact OD1-N 2.86Å; D27-A31 WeakPolarHBondContact O-CB 3.33Å; D27-A31 PolarHBondContact O-N 2.81Å
28L85.4Confident83.5Confident44 Ų4458.4 Ų58.423%0.2332%0.323CS..Hα-helixtrans-55.3-36.2178.6-17568.9000112.2N4 F5 W26 V32N4-L28 HydrophobicContact CB-CD1 4.45Å; N4-L28 HydrophobicContact CB-CD2 4.12Å; F5-L28 HydrophobicContact CB-CD1 3.67Å; F5-L28 HydrophobicContact CD2-CD1 3.88Å; F5-L28 HydrophobicContact CG-CD1 4.27Å; W26-L28 PolarHBondContact O-N 2.96Å; W26-L28 VanDerWaalsContact O-N 3.11Å; L28-V32 HydrophobicContact CD1-CG2 4.36Å; L28-V32 VanDerWaalsContact O-CB 3.31Å; L28-V32 WeakPolarHBondContact O-CB 3.48Å; L28-V32 WeakPolarHBondContact O-CG2 3.4Å; L28-V32 PolarHBondContact O-N 2.6Å
29M86.8Confident81.3Confident145 Ų14563 Ų6371%0.71435%0.352SS*.Hα-helixtrans-73.5-43.8-179.7-66.5-60.3-61.900111.2D27 S33D27-M29 PolarHBondContact O-N 3.4Å; D27-M29 WeakPolarHBondContact OD1-CA 3.49Å; D27-M29 WeakPolarHBondContact OD1-CB 3.1Å; D27-M29 PolarHBondContact OD1-N 2.71Å; M29-S33 WeakPolarHBondContact O-CB 3.3Å; M29-S33 PolarHBondContact O-N 3.38Å
30A86.7Confident78.6Confident33 Ų3365.3 Ų65.327%0.27337%0.368SS..Hα-helixtrans-64.7-44.2176.500000111.7H24 D27 S33 S34H24-A30 HydrophobicContact CB-CB 4.24Å; D27-A30 HydrophobicContact CB-CB 3.87Å; D27-A30 PolarHBondContact O-N 2.82Å; D27-A30 PolarHBondContact OD1-N 2.86Å; A30-S33 WeakPolarHBondContact O-CB 2.18Å; A30-S33 PolarHBondContact O-N 2.87Å; A30-S34 PolarHBondContact O-N 2.94Å
31A87Confident76.1Confident0 Ų070 Ų700%040%0.399CS..Hα-helixtrans-62.5-45.2178.200000112.3F5 I20 M21 H24 D27 S34 I35F5-A31 HydrophobicContact CD2-CB 4.1Å; F5-A31 HydrophobicContact CE2-CB 3.38Å; F5-A31 HydrophobicContact CZ-CB 3.93Å; I20-A31 HydrophobicContact CG2-CB 4.38Å; M21-A31 HydrophobicContact CG-CB 4.08Å; H24-A31 HydrophobicContact CB-CB 3.8Å; D27-A31 WeakPolarHBondContact O-CB 3.33Å; D27-A31 PolarHBondContact O-N 2.81Å; A31-S34 PolarHBondContact O-N 3.26Å; A31-I35 PolarHBondContact O-N 3.4Å
32V86.8Confident73.1Confident25 Ų2575.2 Ų75.215%0.15244%0.442CS..Hα-helixtrans-66.4-41.1177169.30000110.3F5 C8 T9 L28 S34 I35 I36F5-V32 HydrophobicContact CD2-CG2 3.67Å; F5-V32 HydrophobicContact CE2-CG2 3.88Å; C8-V32 HydrophobicContact CB-CG2 4.24Å; T9-V32 HydrophobicContact CG2-CG2 4.17Å; L28-V32 HydrophobicContact CD1-CG2 4.36Å; L28-V32 VanDerWaalsContact O-CB 3.31Å; L28-V32 WeakPolarHBondContact O-CB 3.48Å; L28-V32 WeakPolarHBondContact O-CG2 3.4Å; L28-V32 PolarHBondContact O-N 2.6Å; V32-S34 VanDerWaalsContact C-N 3.31Å; V32-S34 PolarHBondContact O-N 2.7Å; V32-I35 PolarHBondContact O-N 3.25Å; V32-I36 HydrophobicContact CG1-CD1 3.56Å; V32-I36 HydrophobicContact CG1-CG1 4.27Å; V32-I36 WeakPolarHBondContact O-CG1 3.48Å; V32-I36 PolarHBondContact O-N 3.19Å
33S85.2Confident70.3Confident68 Ų6876.5 Ų76.548%0.47647%0.467SS..Hα-helixtrans-59.7-38.2176.2-174.50000112.4M29 A30 S37M29-S33 WeakPolarHBondContact O-CB 3.3Å; M29-S33 PolarHBondContact O-N 3.38Å; A30-S33 WeakPolarHBondContact O-CB 2.18Å; A30-S33 PolarHBondContact O-N 2.87Å; S33-S37 VanDerWaalsContact O-CB 3.25Å; S33-S37 WeakPolarHBondContact O-CB 3.25Å; S33-S37 PolarHBondContact O-N 2.55Å; S33-S37 PolarHBondContact O-OG 3.35Å
34S85.6Confident67.4Low28 Ų2874.5 Ų74.520%0.19646%0.463CS..Hα-helixtrans-62.5-52.3174.9160.10000112.2H24 A30 A31 V32 I36 S37 D38H24-S34 WeakPolarHBondContact CE1-CB 3.3Å; H24-S34 PolarHBondContact CE1-OG 3.49Å; H24-S34 VanDerWaalsContact NE2-CB 3.3Å; H24-S34 WeakPolarHBondContact NE2-CB 2.18Å; A30-S34 PolarHBondContact O-N 2.94Å; A31-S34 PolarHBondContact O-N 3.26Å; V32-S34 VanDerWaalsContact C-N 3.31Å; V32-S34 PolarHBondContact O-N 2.7Å; S34-I36 VanDerWaalsContact C-N 3.34Å; S34-I36 PolarHBondContact O-N 3.38Å; S34-S37 PolarHBondContact O-N 3.22Å; S34-D38 PolarHBondContact O-N 2.73Å
35I81.9Confident64.3Low21 Ų2177.9 Ų77.911%0.10849%0.493CS..Hα-helixtrans-59.6-46.1179.2-73.5164.4000111.2F5 T9 L11 I20 A31 V32 S37 D38 V39F5-I35 HydrophobicContact CE1-CD1 3.92Å; F5-I35 HydrophobicContact CE2-CD1 3.97Å; F5-I35 HydrophobicContact CZ-CD1 3.29Å; F5-I35 HydrophobicContact CZ-CG1 4.5Å; T9-I35 HydrophobicContact CG2-CB 4.41Å; T9-I35 HydrophobicContact CG2-CD1 3.44Å; T9-I35 VanDerWaalsContact CG2-CD1 3.44Å; T9-I35 HydrophobicContact CG2-CG2 4.36Å; L11-I35 HydrophobicContact CD1-CD1 3.6Å; L11-I35 HydrophobicContact CG-CD1 4.4Å; I20-I35 HydrophobicContact CD1-CD1 3.73Å; I20-I35 HydrophobicContact CD1-CG1 3.64Å; I20-I35 HydrophobicContact CG2-CD1 4.12Å; I20-I35 HydrophobicContact CG2-CG1 4.16Å; A31-I35 PolarHBondContact O-N 3.4Å; V32-I35 PolarHBondContact O-N 3.25Å; I35-S37 VanDerWaalsContact C-N 3.29Å; I35-S37 PolarHBondContact O-N 3.35Å; I35-D38 PolarHBondContact O-N 2.69Å; I35-V39 WeakPolarHBondContact O-CG2 3.34Å; I35-V39 PolarHBondContact O-N 3.37Å; I35-V39 VanDerWaalsContact O-N 3.1Å
36I78.5Confident61.3Low110 Ų11080.6 Ų80.656%0.56450%0.498SS*.Hα-helixtrans-66.6-33.1-178.8-65177000111.2V32 S34V32-I36 HydrophobicContact CG1-CD1 3.56Å; V32-I36 HydrophobicContact CG1-CG1 4.27Å; V32-I36 WeakPolarHBondContact O-CG1 3.48Å; V32-I36 PolarHBondContact O-N 3.19Å; S34-I36 VanDerWaalsContact C-N 3.34Å; S34-I36 PolarHBondContact O-N 3.38Å
37S69.1Low58.5Low73 Ų7384.6 Ų84.651%0.5153%0.527SS..Hα-helixtrans-69.9-39.8174.8-59.30000112.9S33 S34 I35 V39 S40S33-S37 VanDerWaalsContact O-CB 3.25Å; S33-S37 WeakPolarHBondContact O-CB 3.25Å; S33-S37 PolarHBondContact O-N 2.55Å; S33-S37 PolarHBondContact O-OG 3.35Å; S34-S37 PolarHBondContact O-N 3.22Å; I35-S37 VanDerWaalsContact C-N 3.29Å; I35-S37 PolarHBondContact O-N 3.35Å; S37-V39 VanDerWaalsContact C-N 3.26Å; S37-V39 PolarHBondContact O-N 2.8Å; S37-S40 PolarHBondContact O-OG 2.91Å
38D49.2Very low55.5Low127 Ų12789.1 Ų89.168%0.67955%0.546SS*.Hα-helixtrans-75.4-12.4178.5-77.6-27.4000113.1S34 I35 S40S34-D38 PolarHBondContact O-N 2.73Å; I35-D38 PolarHBondContact O-N 2.69Å; D38-S40 PolarHBondContact O-N 2.74Å
39V39.3Very low52.6Low108 Ų10894.3 Ų94.366%0.65557%0.574SS**  trans-75.248.5162.6-177.50000110.8I35 S37 P41I35-V39 WeakPolarHBondContact O-CG2 3.34Å; I35-V39 PolarHBondContact O-N 3.37Å; I35-V39 VanDerWaalsContact O-N 3.1Å; S37-V39 VanDerWaalsContact C-N 3.26Å; S37-V39 PolarHBondContact O-N 2.8Å; V39-P41 WeakPolarHBondContact O-CD 3.31Å
40S31.4Very low49.8Very low91 Ų9194.7 Ų94.764%0.63657%0.574SS**  trans-75.6113.2160-74.20000108.5S37 D38 A42S37-S40 PolarHBondContact O-OG 2.91Å; D38-S40 PolarHBondContact O-N 2.74Å; S40-A42 PolarHBondContact O-N 2.78Å
41P32.6Very low46.9Very low111 Ų11198.4 Ų98.472%0.72160%0.598SS**  trans-71.989.6-167.327.5-35.4000112.9V39 G43V39-P41 WeakPolarHBondContact O-CD 3.31Å; P41-G43 PolarHBondContact O-N 3.44Å
42A28.4Very low43.9Very low109 Ų109104.2 Ų104.290%0.90163%0.633SS**THydrogen-bonded Turntrans-70.391175.300000111.8S40S40-A42 PolarHBondContact O-N 2.78Å
43G25.8Very low41.2Very low71 Ų71108.6 Ų108.673%0.73266%0.662SS**THydrogen-bonded Turntrans99.145.5156.700000117.7P41P41-G43 PolarHBondContact O-N 3.44Å
44S25.8Very low38.4Very low85 Ų85116 Ų11659%0.59468%0.681SS**  trans-103.487.3156.1590000110.7F46S44-F46 PolarHBondContact O-N 3.08Å
45S24.3Very low35.6Very low125 Ų125120.2 Ų120.287%0.87471%0.711SS**  trans-72.357.9175.4-58.60000112.3
46F25.3Very low32.7Very low195 Ų195126 Ų12686%0.85575%0.747SS**  trans-76125.5172-92.7-82000110.5S44S44-F46 PolarHBondContact O-N 3.08Å
47V26.9Very low30.3Very low126 Ų126127.3 Ų127.376%0.76476%0.76SS**  trans-60.3142.9-175.7175.10000110.1D49V47-D49 PolarHBondContact O-N 3.46Å
48Q23.7Very low28Very low176 Ų176131.2 Ų131.282%0.82277%0.774SS**  trans-60.478.1167-177-170.1-4.500110.4
49D25.2Very low27.2Very low153 Ų153130.2 Ų130.282%0.81877%0.774SS**PPolyproline II helixtrans-76.7139.3173.2-148.3-14.4000109.7V47V47-D49 PolarHBondContact O-N 3.46Å
50Q26.9Very low26.5Very low153 Ų153133.1 Ų133.172%0.71578%0.783SS**PPolyproline II helixtrans-84.9133.1-158.2-661803.300111.3V52Q50-V52 WeakPolarHBondContact O-CG2 3.38Å; Q50-V52 PolarHBondContact O-N 3.48Å; Q50-V52 VanDerWaalsContact O-N 3.15Å
51S26.2Very low26.2Very low112 Ų112135 Ų13578%0.78379%0.791SS**PPolyproline II helixtrans-58.9119.5168.946.20000109.6P53S51-P53 VanDerWaalsContact O-CD 3.26Å; S51-P53 WeakPolarHBondContact O-CD 3.28Å
52V24.4Very low26Very low122 Ų122134.9 Ų134.974%0.73979%0.79SS**  trans-100.297.4179.8-168.60000108.9Q50 Y54Q50-V52 WeakPolarHBondContact O-CG2 3.38Å; Q50-V52 PolarHBondContact O-N 3.48Å; Q50-V52 VanDerWaalsContact O-N 3.15Å; V52-Y54 PolarHBondContact O-N 2.86Å
53P30.4Very low25.7Very low116 Ų116138.2 Ų138.275%0.75379%0.792SS**  trans-87.3106.5-173.32.818.4000109.3S51 S55S51-P53 VanDerWaalsContact O-CD 3.26Å; S51-P53 WeakPolarHBondContact O-CD 3.28Å; P53-S55 PolarHBondContact O-N 3.26Å
54Y24.3Very low25.7Very low223 Ų223138.7 Ų138.788%0.87580%0.797SS**  trans-6997.4169.9-92.3-91.4000110.9V52V52-Y54 PolarHBondContact O-N 2.86Å
55S26.8Very low25.5Very low118 Ų118138.3 Ų138.383%0.82581%0.806SS**  trans-170122.3140.7-86.90000113.5P53P53-S55 PolarHBondContact O-N 3.26Å
56T22.3Very low25.8Very low141 Ų141137.7 Ų137.787%0.86580%0.799SS**  trans-87109.6178.1-57.40000111.6
57V28.1Very low25.6Very low138 Ų138135.3 Ų135.384%0.83679%0.794SS**  trans-141.6124.4154.7-174.80000111.1
58L19.6Very low25.7Very low155 Ų155137.4 Ų137.481%0.81280%0.8SS**  trans-116.3165.4159.3-75.2171.3000107
59P34.2Very low25.7Very low106 Ų106133.1 Ų133.169%0.68879%0.79SS**  cis-135.6-161.13.326.4-0.2000113.9
60M23.6Very low25.7Very low169 Ų169130.7 Ų130.783%0.83379%0.785SS**  trans89.9103.1155.4-51.2-54-103.500119.6
61T25.9Very low25.5Very low130 Ų130131.6 Ų131.680%0.79879%0.789SS**  trans-65.2157.114747.70000110.6
62P27.2Very low25.7Very low109 Ų109132.1 Ų132.171%0.70879%0.793SS**  -152.2157.491.839.7-21.9000117.9
63L22.3Very low25.6Very low180 Ų180131.8 Ų131.894%0.94280%0.796SS**  trans50.5113.3142-66.8165.2000121.2
64G26.3Very low25.4Very low81 Ų81133.9 Ų133.984%0.83580%0.797SS**  trans-174.6104.2159.400000113.8
65G20.6Very low25.5Very low77 Ų77129.3 Ų129.379%0.79479%0.788SS**  trans-99.3-163.9162.300000111.2
66P31.7Very low25.5Very low111 Ų111131.5 Ų131.572%0.72179%0.785SS**  cis-138.8159.112.242.1-24.7000117.7
67I21.4Very low25.7Very low146 Ų146132.6 Ų132.675%0.74979%0.785SS**  36.8121.9129.6-50.2165.8000119.8
68L29Very low25.5Very low169 Ų169133.7 Ų133.789%0.88579%0.785SS**  178.2151.6128.2-94168000108.1
69S22.2Very low25.8Very low87 Ų87129.8 Ų129.861%0.60878%0.783SS**  cis-173.4163.7-46.9-97.50000108
70S26.8Very low25.3Very low102 Ų102131.3 Ų131.371%0.71379%0.79SS**  trans69147.1170.9-67.20000117.7
71E22.4Very low25.4Very low172 Ų172132.4 Ų132.480%0.80479%0.793SS**  cis-176.1126.4-30.2-119.5163.6151.200108.6
72S29.9Very low25.3Very low123 Ų123132.1 Ų132.186%0.8679%0.792SS**  trans174.8128.814036.70000111.1
73S22.7Very low25Very low115 Ų115133.1 Ų133.180%0.80480%0.795SS**  trans-90.1145.5-174.4-48.30000112
74M27.2Very low25Very low160 Ų160130 Ų13079%0.78879%0.789SS**  -179.7136.593.7-91-152.3-67.900114.9
75N26.1Very low24.8Very low126 Ų126132.2 Ų132.267%0.67479%0.786SS**  trans54.798.5142-58.3-10.4000120.9
76H25.4Very low24.9Very low165 Ų165133.9 Ų133.976%0.76479%0.785SS**  18.8121.3124-54.3-76.5000119.2
77N26.5Very low24.6Very low164 Ų164134.3 Ų134.388%0.87779%0.786SS**  -153.6134.8109.1-106.2-33.6000111.1
78L24Very low24.8Very low160 Ų160136.2 Ų136.284%0.83879%0.794SS**  trans-82.7114.4165.8-84.275.9000107.7
79G25.6Very low24.5Very low74 Ų74133.1 Ų133.176%0.76379%0.785SS**  trans-123.970.7176.700000110.9Q81G79-Q81 PolarHBondContact O-N 3.17Å; G79-Q81 VanDerWaalsContact O-N 3.12Å
80T24.7Very low24.5Very low137 Ų137135.4 Ų135.484%0.8479%0.791SS**  trans-67.7106.917448.10000110.1
81Q26.2Very low24.5Very low192 Ų192140.4 Ų140.490%0.89780%0.8SS**  trans-142.8142.2160.9-141.2164.18900110.6G79G79-Q81 PolarHBondContact O-N 3.17Å; G79-Q81 VanDerWaalsContact O-N 3.12Å
82T23Very low24.4Very low125 Ų125139.7 Ų139.777%0.76780%0.802SS**  trans-97140.5-163.246.20000112.7
83V20.7Very low24.4Very low129 Ų129140.5 Ų140.578%0.78280%0.802SS**  trans49.9104.1149.9-173.90000117.1
84S23.3Very low24.3Very low114 Ų114142.3 Ų142.380%0.79780%0.802SS**  trans-136122.3142-720000108.3
85V20.8Very low24.5Very low129 Ų129141.7 Ų141.778%0.78281%0.807SS**  trans-88.5118.2169.6175.90000107.8
86S23.8Very low24.4Very low111 Ų111141.5 Ų141.578%0.77682%0.816SS**  trans-100.490.7174.7-62.50000110.2
87T25.9Very low24.4Very low120 Ų120137.1 Ų137.174%0.73682%0.815SS**  trans-63.7131.1159.243.30000109C89T87-C89 PolarHBondContact O-N 2.97Å
88M25.3Very low24.2Very low187 Ų187135.6 Ų135.692%0.92182%0.816SS**  trans-71.8113.6179.8-65.4-101.8-71.200110.2
89C21.8Very low24Very low103 Ų103130.9 Ų130.970%0.69681%0.806SS**  trans-78.4142.6154.3-62.80000108.8T87T87-C89 PolarHBondContact O-N 2.97Å
90D21.5Very low24Very low136 Ų136133.9 Ų133.973%0.72781%0.809SS**  168.5118.7117.2-84.3-6.1000109.5
91F27.6Very low24Very low207 Ų207133 Ų13391%0.90881%0.808SS**  174.198.7126.9-91.6-58.6000109.9
92D20.8Very low24.7Very low156 Ų156129.7 Ų129.783%0.83480%0.804SS**  trans-73.1145.4168.7-66.6-61.3000112.2
93T30.4Very low24.8Very low141 Ų141128.5 Ų128.587%0.86581%0.806SS**  trans-157.7119.5152.3-64.60000109.5
94D20.3Very low25.1Very low153 Ų153130.6 Ų130.682%0.81881%0.811SS**  trans-69.9138.7-178.9-62.6-85000114.9
95V30.1Very low25Very low146 Ų146130.9 Ų130.989%0.88581%0.814SS**  trans-140.9128.2137.6-175.40000110.6
96S25.5Very low25.1Very low123 Ų123135.9 Ų135.986%0.8682%0.819SS**  trans-60.7144.5178.2178.80000115.1
97G25.2Very low25.1Very low73 Ų73135.9 Ų135.975%0.75382%0.819SS**  trans-178.799.3170.900000116G99G97-G99 PolarHBondContact O-N 3.12Å
98C22.7Very low25Very low132 Ų132136.9 Ų136.989%0.89282%0.824SS**  trans-61120.4-177.9-172.30000116
99G19.2Very low25.1Very low61 Ų61134.4 Ų134.463%0.62981%0.813SS**  68.6152118.300000123.5G97G97-G99 PolarHBondContact O-N 3.12Å
100V25.5Very low25.3Very low137 Ų137137.8 Ų137.883%0.8382%0.819SS**  trans70.294.8158.1-61.40000122.5
101S24.9Very low25.4Very low117 Ų117138.2 Ų138.282%0.81882%0.82SS**  89.2153.3122-59.50000120.6
102P40.5Very low25.5Very low124 Ų124135.4 Ų135.481%0.80582%0.815SS**  trans-114.6149.7-152.139.8-29.6000115.9
103A25.4Very low25.8Very low99 Ų99132.7 Ų132.782%0.81881%0.808SS**  trans-162.183160.200000111.3
104I26.1Very low25.8Very low173 Ų173132.5 Ų132.589%0.88780%0.802SS**  trans-106.284.1172.5-55.4-177.4000109.3
105S21.1Very low26.2Very low121 Ų121134.6 Ų134.685%0.84681%0.806SS**  trans-131.379.5170-61.20000109.5
106R24.5Very low26.3Very low234 Ų234130.4 Ų130.488%0.88379%0.787SS**  trans-134.5116.1163-81-170.1170.2146.90.9109.1V108R106-V108 PolarHBondContact O-N 2.75Å
107S22.6Very low26.7Very low111 Ų111132.3 Ų132.378%0.77679%0.786SS**  trans-62.6121.2172.932.60000110.2I109S107-I109 PolarHBondContact O-N 3.17Å
108V23.2Very low27.1Very low141 Ų141134.5 Ų134.586%0.85578%0.78SS**  trans-80.2110.2164.4178.50000106.6R106R106-V108 PolarHBondContact O-N 2.75Å
109I27.6Very low28.1Very low134 Ų134133 Ų13369%0.68777%0.772SS**  trans-90.7103.7170.8-58.5176000106.4S107 L111S107-I109 PolarHBondContact O-N 3.17Å; I109-L111 HydrophobicContact CG2-CG 4.2Å; I109-L111 PolarHBondContact O-N 3.3Å
110E26.5Very low29.1Very low175 Ų175137.1 Ų137.182%0.81878%0.779SS**  trans-76.692.1177.7-168.9155.4-13800109.7D112E110-D112 PolarHBondContact O-N 2.65Å
111L24.1Very low30.6Very low144 Ų144137.4 Ų137.475%0.75477%0.765SS**  trans-78.866.2176.6-84.9159.7000110.5I109 S113I109-L111 HydrophobicContact CG2-CG 4.2Å; I109-L111 PolarHBondContact O-N 3.3Å; L111-S113 PolarHBondContact O-N 3.42Å; L111-S113 PolarHBondContact O-OG 3.25Å
112D28.5Very low32.7Very low148 Ų148135.9 Ų135.979%0.79175%0.752SS**  trans-65.2130.8-177.2-164.321.2000111.3E110E110-D112 PolarHBondContact O-N 2.65Å
113S27.4Very low34.3Very low99 Ų99133 Ų13369%0.69273%0.733SS**  trans-125.395.4-155.7-71.60000111.6L111L111-S113 PolarHBondContact O-N 3.42Å; L111-S113 PolarHBondContact O-OG 3.25Å
114D30.2Very low37Very low138 Ų138131.9 Ų131.974%0.73871%0.707SS**  trans-154.1142.8163.8-128.6-24.9000115.4
115Q29.6Very low39.8Very low196 Ų196124.8 Ų124.892%0.91667%0.671SS**  trans-104.780.8-169.6-66.4-175.11100113.5
116A32.4Very low43Very low58 Ų58119 Ų11948%0.47963%0.631SS.*  trans-157.4133.1159.700000112.1N118A116-N118 VanDerWaalsContact C-N 3.31Å; A116-N118 PolarHBondContact O-N 2.94Å; A116-N118 VanDerWaalsContact O-N 3.09Å
117I34.2Very low46.2Very low163 Ų163110.1 Ų110.184%0.83660%0.6SS**  trans-83.879.3170.8-54.5171.6000108.1
118N32.9Very low49.6Very low119 Ų119105 Ų10564%0.63656%0.564SS**  trans-93.3139.8170.6-74.2-17.5000110.1A116 N120A116-N118 VanDerWaalsContact C-N 3.31Å; A116-N118 PolarHBondContact O-N 2.94Å; A116-N118 VanDerWaalsContact O-N 3.09Å; N118-N120 PolarHBondContact O-N 2.83Å
119S43Very low53Low101 Ų101100 Ų10071%0.70653%0.531SS*.THydrogen-bonded Turntrans-66.8-11.6179.648.80000115
120N42.2Very low56.1Low147 Ų14793.6 Ų93.679%0.78650%0.499SS*.THydrogen-bonded Turntrans-10125-168.1-62.322.6000113.6N118N118-N120 PolarHBondContact O-N 2.83Å
121R56.5Low59.3Low144 Ų14487 Ų8754%0.54347%0.469SS..SBendtrans-78.6140.6161.8-76.7-173.9172.8170.3-0.5108.5
122P68.5Low62.5Low84 Ų8480.2 Ų80.255%0.54543%0.433SS..PPolyproline II helixtrans-61.5145175.327.4-34.7000110.3R124P122-R124 PolarHBondContact O-N 3.36Å
123V74.1Confident65Low64 Ų6475 Ų7539%0.38840%0.404SS..PPolyproline II helixtrans-63.4122.8176.6-1770000108.6P154 T156V123-P154 HydrophobicContact CG1-CB 3.81Å; V123-T156 HydrophobicContact CB-CG2 4.34Å; V123-T156 HydrophobicContact CG1-CG2 3.98Å; V123-T156 HydrophobicContact CG2-CG2 3.72Å
124R82.5Confident67.5Low76 Ų7670.8 Ų70.829%0.28737%0.374SS..PPolyproline II helixtrans-94.5131.1175.2-55.7-178-58.9134.416.5108.6P122 D155 L221P122-R124 PolarHBondContact O-N 3.36Å; R124-D155 HydrophobicContact CB-CB 4.36Å; R124-D155 IonicContact CZ-OD2 3.81Å; R124-D155 PolarHBondContact N-OD1 3.37Å; R124-D155 IonicContact NE-OD2 3.96Å; R124-D155 PolarHBondContact NE-OD2 3.46Å; R124-D155 IonicContact NH2-OD2 3.29Å; R124-D155 PolarHBondContact NH2-OD2 3.28Å; R124-D155 WeakPolarHBondContact O-CB 3.21Å; R124-D155 PolarHBondContact O-N 3.1Å; R124-L221 PolarHBondContact NH1-O 3.23Å; R124-L221 PolarHBondContact NH2-O 3.1Å
125I83.5Confident69.2Low24 Ų2467 Ų6712%0.12336%0.357CS..EExtended strand (participates in β ladder)trans-83.1129167.7-56.5-53.8000108.2I18 W26 P152 P154I18-I125 HydrophobicContact CD1-CB 4.14Å; I18-I125 HydrophobicContact CD1-CG2 3.84Å; W26-I125 HydrophobicContact CH2-CD1 4.35Å; W26-I125 HydrophobicContact CH2-CG1 3.57Å; W26-I125 HydrophobicContact CZ2-CG1 3.83Å; I125-P152 HydrophobicContact CG2-CB 3.51Å; I125-P154 HydrophobicContact CD1-CB 3.92Å
126L89.2Confident70.5Confident0 Ų062.1 Ų62.10%034%0.335CS..EExtended strand (participates in β ladder)trans-109.8121.5178.3-57.4-178.7000108.3F128 F153 D155 L216 L221 I225L126-F128 HydrophobicContact CB-CD2 4.2Å; L126-F128 HydrophobicContact CB-CE2 3.6Å; L126-F128 HydrophobicContact CB-CZ 4.18Å; L126-F128 HydrophobicContact CD1-CE2 4.12Å; L126-F128 HydrophobicContact CD1-CZ 4.04Å; L126-F128 WeakPolarHBondContact O-CD2 2.18Å; L126-F128 PolarHBondContact O-N 3.21Å; L126-F153 WeakPolarHBondContact CB-O 3.24Å; L126-F153 PolarHBondContact N-O 3.06Å; L126-F153 PolarHBondContact O-N 2.91Å; L126-D155 HydrophobicContact CD1-CB 3.61Å; L126-D155 HydrophobicContact CD2-CB 4.37Å; L126-D155 HydrophobicContact CG-CB 3.84Å; L126-L216 HydrophobicContact CD1-CB 4.14Å; L126-L221 HydrophobicContact CD1-CB 4.03Å; L126-L221 HydrophobicContact CD1-CD1 3.91Å; L126-I225 HydrophobicContact CB-CD1 3.72Å; L126-I225 HydrophobicContact CD1-CD1 4.29Å; L126-I225 HydrophobicContact CD2-CD1 4.38Å; L126-I225 HydrophobicContact CG-CD1 4.35Å
127N92.1Very high71.3Confident47 Ų4763.5 Ų63.525%0.25133%0.334SS..EExtended strand (participates in β ladder)trans-84.7113.3174.8-67-9.3000108.5K223 C224 I225N127-K223 PolarHBondContact N-O 3.36Å; N127-C224 CarbonylContact O-C 3.57Å; N127-C224 WeakPolarHBondContact O-CA 3.48Å; N127-I225 PolarHBondContact O-N 3.46Å
128F94Very high72Confident3 Ų363.5 Ų63.51%0.01334%0.336CS..EExtended strand (participates in β ladder)trans-95.7132.4174.7-72.3-85.8000109.8L126 I130 S150 F151 F153 L162 F209 L216 L221 I225 L227L126-F128 HydrophobicContact CB-CD2 4.2Å; L126-F128 HydrophobicContact CB-CE2 3.6Å; L126-F128 HydrophobicContact CB-CZ 4.18Å; L126-F128 HydrophobicContact CD1-CE2 4.12Å; L126-F128 HydrophobicContact CD1-CZ 4.04Å; L126-F128 WeakPolarHBondContact O-CD2 2.18Å; L126-F128 PolarHBondContact O-N 3.21Å; F128-I130 HydrophobicContact CB-CD1 4.38Å; F128-I130 HydrophobicContact CB-CG1 4.14Å; F128-S150 CarbonylContact O-C 3.56Å; F128-S150 VanDerWaalsContact O-CA 3.29Å; F128-S150 WeakPolarHBondContact O-CA 3.4Å; F128-F151 HydrophobicContact CB-CE1 4.25Å; F128-F151 HydrophobicContact CB-CE2 4.19Å; F128-F151 HydrophobicContact CB-CZ 4.01Å; F128-F151 HydrophobicContact CD2-CE2 4.41Å; F128-F151 PolarHBondContact N-O 2.67Å; F128-F151 PolarHBondContact O-N 3.17Å; F128-F153 HydrophobicContact CD2-CB 3.73Å; F128-F153 HydrophobicContact CE2-CB 3.9Å; F128-L162 HydrophobicContact CD1-CD1 4.33Å; F128-L162 HydrophobicContact CD1-CD2 4.1Å; F128-L162 HydrophobicContact CD2-CD1 3.79Å; F128-L162 HydrophobicContact CE1-CD1 4.47Å; F128-L162 HydrophobicContact CE1-CD2 3.62Å; F128-L162 HydrophobicContact CE2-CD1 3.93Å; F128-L162 HydrophobicContact CE2-CD2 4.13Å; F128-L162 HydrophobicContact CG-CD1 3.99Å; F128-L162 HydrophobicContact CZ-CD1 4.28Å; F128-L162 HydrophobicContact CZ-CD2 3.64Å; F128-F209 HydrophobicContact CE1-CE1 4.2Å; F128-F209 HydrophobicContact CE1-CZ 4.45Å; F128-L216 HydrophobicContact CE2-CD1 4.11Å; F128-L216 HydrophobicContact CZ-CD1 4.09Å; F128-L216 HydrophobicContact CZ-CD2 4.21Å; F128-L221 HydrophobicContact CE1-CD1 4.29Å; F128-L221 HydrophobicContact CZ-CD1 3.97Å; F128-I225 WeakPolarHBondContact CA-O 3.34Å; F128-I225 HydrophobicContact CD1-CB 3.86Å; F128-I225 HydrophobicContact CD1-CD1 4.16Å; F128-I225 HydrophobicContact CD1-CG1 4.39Å; F128-I225 HydrophobicContact CD1-CG2 4.38Å; F128-I225 HydrophobicContact CE1-CB 3.89Å; F128-I225 HydrophobicContact CE1-CD1 3.81Å; F128-I225 HydrophobicContact CE1-CG1 4Å; F128-I225 HydrophobicContact CE1-CG2 4.24Å; F128-I225 HydrophobicContact CE2-CD1 4.29Å; F128-I225 HydrophobicContact CZ-CD1 3.88Å; F128-I225 HydrophobicContact CZ-CG1 4.48Å; F128-L227 HydrophobicContact CD1-CD1 3.64Å; F128-L227 HydrophobicContact CD1-CG 4.23Å; F128-L227 HydrophobicContact CE1-CD1 3.84Å
129E93.4Very high72.6Confident36 Ų3664.4 Ų64.417%0.16834%0.341CS..EExtended strand (participates in β ladder)trans-113.8113163.6177.1-175.9152.300106.5K148 E149 I225 K226 L227E129-K148 IonicContact OE1-NZ 3.56Å; E129-K148 PolarHBondContact OE1-NZ 2.8Å; E129-E149 CarbonylContact C-O 3.55Å; E129-E149 WeakPolarHBondContact CA-O 3.24Å; E129-I225 PolarHBondContact N-O 3.22Å; E129-K226 HydrophobicContact CB-CG 4.18Å; E129-K226 HydrophobicContact CG-CG 4.45Å; E129-K226 CarbonylContact O-C 3.27Å; E129-K226 WeakPolarHBondContact O-CA 3.31Å; E129-K226 IonicContact OE1-NZ 2.88Å; E129-K226 PolarHBondContact OE1-NZ 3.25Å; E129-K226 WeakPolarHBondContact OE2-CE 2.18Å; E129-K226 IonicContact OE2-NZ 2.72Å; E129-K226 PolarHBondContact OE2-NZ 3.44Å; E129-L227 PolarHBondContact O-N 3.38Å
130I94.2Very high72.7Confident0 Ų064.9 Ų64.90%034%0.34CS..EExtended strand (participates in β ladder)trans-114115.8-174.6-50.2-168000109.4F128 E149 F151 F166 L201 L227 A229F128-I130 HydrophobicContact CB-CD1 4.38Å; F128-I130 HydrophobicContact CB-CG1 4.14Å; I130-E149 PolarHBondContact N-O 2.72Å; I130-E149 PolarHBondContact O-N 2.99Å; I130-F151 HydrophobicContact CD1-CE1 3.78Å; I130-F151 HydrophobicContact CD1-CZ 3.7Å; I130-F151 HydrophobicContact CG1-CE1 4.05Å; I130-F151 HydrophobicContact CG1-CZ 4.39Å; I130-F166 HydrophobicContact CB-CD2 3.9Å; I130-F166 HydrophobicContact CB-CE2 3.71Å; I130-F166 HydrophobicContact CD1-CB 4.37Å; I130-F166 HydrophobicContact CD1-CD2 3.88Å; I130-F166 HydrophobicContact CD1-CG 4.22Å; I130-F166 HydrophobicContact CG1-CD2 4.36Å; I130-F166 HydrophobicContact CG2-CD2 3.84Å; I130-F166 HydrophobicContact CG2-CE1 4.42Å; I130-F166 HydrophobicContact CG2-CE2 3.49Å; I130-F166 VanDerWaalsContact CG2-CE2 3.49Å; I130-F166 HydrophobicContact CG2-CG 4.43Å; I130-F166 HydrophobicContact CG2-CZ 3.82Å; I130-L201 HydrophobicContact CD1-CD2 4.48Å; I130-L201 HydrophobicContact CG2-CD2 4.06Å; I130-L227 WeakPolarHBondContact CA-O 2.98Å; I130-L227 HydrophobicContact CD1-CD1 4.32Å; I130-L227 HydrophobicContact CG1-CB 4.26Å; I130-L227 HydrophobicContact CG2-CB 4.45Å; I130-A229 HydrophobicContact CG2-CB 3.68Å
131D92.7Very high73.1Confident36 Ų3666 Ų6619%0.19335%0.346CS..EExtended strand (participates in β ladder)trans-93.4113.4-179.3-74.76000110.2V146 K148 L227 R228 A229D131-V146 HydrophobicContact CB-CG1 3.6Å; D131-K148 WeakPolarHBondContact OD1-CG 3.46Å; D131-K148 IonicContact OD1-NZ 2.81Å; D131-K148 PolarHBondContact OD1-NZ 3.44Å; D131-K148 IonicContact OD2-NZ 3.6Å; D131-K148 PolarHBondContact OD2-NZ 2.8Å; D131-L227 PolarHBondContact N-O 3.48Å; D131-R228 CarbonylContact O-C 3.45Å; D131-R228 WeakPolarHBondContact O-CA 3.43Å; D131-A229 PolarHBondContact O-N 2.89Å
132L92.2Very high72.5Confident1 Ų166 Ų661%0.00535%0.351CS..EExtended strand (participates in β ladder)trans-98.8116.8173.6-172.765.4000110V146 V147 F166 E173 L174 L177 A229L132-V146 CarbonylContact O-C 3.51Å; L132-V146 WeakPolarHBondContact O-CA 3.47Å; L132-V147 HydrophobicContact CB-CB 4.32Å; L132-V147 PolarHBondContact N-O 3.5Å; L132-V147 PolarHBondContact O-N 2.95Å; L132-F166 HydrophobicContact CB-CZ 4.15Å; L132-F166 HydrophobicContact CD1-CE1 4.49Å; L132-F166 HydrophobicContact CD1-CZ 4.44Å; L132-F166 HydrophobicContact CD2-CZ 4.4Å; L132-E173 HydrophobicContact CD2-CB 3.85Å; L132-L174 HydrophobicContact CD1-CD2 3.94Å; L132-L174 HydrophobicContact CD2-CD2 4.22Å; L132-L174 HydrophobicContact CD2-CG 4.37Å; L132-L177 HydrophobicContact CD1-CD1 3.63Å; L132-L177 HydrophobicContact CD2-CD1 4.08Å; L132-L177 HydrophobicContact CG-CD1 3.95Å; L132-A229 HydrophobicContact CB-CB 4.46Å; L132-A229 HydrophobicContact CD1-CB 3.7Å
133E81.4Confident71.7Confident38 Ų3871 Ų7118%0.17837%0.368CS..EExtended strand (participates in β ladder)trans-86.4116.5180-58.1-175.5127.700110.1V146 R228 K230E133-V146 HydrophobicContact CG-CG2 4.43Å; E133-R228 HydrophobicContact CG-CG 4.42Å; E133-R228 IonicContact OE1-CZ 2.67Å; E133-R228 IonicContact OE1-NE 2.64Å; E133-R228 IonicContact OE1-NH1 2.62Å; E133-R228 PolarHBondContact OE1-NH1 3.27Å; E133-R228 IonicContact OE1-NH2 2.76Å; E133-R228 PolarHBondContact OE1-NH2 3.44Å; E133-R228 VanDerWaalsContact OE2-CD 3.3Å; E133-R228 WeakPolarHBondContact OE2-CD 3.12Å; E133-R228 IonicContact OE2-CZ 2.78Å; E133-R228 IonicContact OE2-NE 3.19Å; E133-R228 IonicContact OE2-NH1 2.75Å; E133-R228 PolarHBondContact OE2-NH1 3.11Å; E133-K230 WeakPolarHBondContact OE2-CE 3.42Å
134L78.7Confident70.9Confident12 Ų1273 Ų736%0.06337%0.373CS..PPolyproline II helixtrans-89.5146.6171.3-61.2-179.4000111.1K145 V147 E173 L177L134-K145 PolarHBondContact N-O 3.48Å; L134-V147 HydrophobicContact CD1-CG2 3.74Å; L134-V147 HydrophobicContact CG-CG2 4.2Å; L134-E173 HydrophobicContact CD2-CB 4.45Å; L134-L177 HydrophobicContact CD2-CD1 4.11Å; L134-L177 HydrophobicContact CD2-CD2 3.94Å; L134-L177 HydrophobicContact CD2-CG 3.85Å
135P65.6Low70.2Confident57 Ų5774.2 Ų74.237%0.3738%0.38SS..PPolyproline II helixtrans-54.5160.5167.7-29.136.1000113.8L177P135-L177 HydrophobicContact CG-CD2 4.14Å
136M56.4Low70.1Confident95 Ų9575.5 Ų75.547%0.46839%0.389SS..PPolyproline II helixtrans-84.7155.3-162.9-74-64.8-64.100115.1Q144M136-Q144 HydrophobicContact SD-CB 3.97Å; M136-Q144 HydrophobicContact SD-CG 3.91Å
137N50.6Low69.9Low86 Ų8676.6 Ų76.646%0.4640%0.396SS..PPolyproline II helixtrans-72.6131.1149-61.1-14.5000108.2D139N137-D139 VanDerWaalsContact C-N 3.28Å; N137-D139 PolarHBondContact O-N 2.91Å
138D47.9Very low69.6Low164 Ų16479.1 Ų79.188%0.87740%0.404SS*.SBendtrans-88.98.1-179.6-14120.1000113.3
139D46.8Very low69.4Low137 Ų13780.5 Ų80.573%0.73341%0.411SS*.SBendtrans-127.1127.5179.3-93-53.3000112.1N137N137-D139 VanDerWaalsContact C-N 3.28Å; N137-D139 PolarHBondContact O-N 2.91Å
140T44.8Very low69.2Low112 Ų11282.9 Ų82.969%0.68743%0.431SS*.SBendtrans65.1139.3175.148.90000119.3H142T140-H142 VanDerWaalsContact C-N 3.33Å; T140-H142 PolarHBondContact O-N 3.08Å
141D49.5Very low69.1Low170 Ų17083.6 Ų83.691%0.90944%0.435SS*.SBendtrans-5969.8-172.4-60.3-67000115.8
142H45.1Very low68.8Low143 Ų14384.7 Ų84.766%0.66244%0.443SS*.  trans-122.4147.5178.3-69.2-23.7000112.5T140T140-H142 VanDerWaalsContact C-N 3.33Å; T140-H142 PolarHBondContact O-N 3.08Å
143E51.7Low68.7Low191 Ų19185.6 Ų85.689%0.89345%0.448SS*.  trans-63.3143.5-165.8-60.2179.4136.600112.6K145E143-K145 PolarHBondContact O-N 3.25Å
144Q56.4Low68.8Low105 Ų10585.6 Ų85.649%0.49145%0.451SS..  trans-54.7123.2178.7-175.3177.5800110.4M136 V146M136-Q144 HydrophobicContact SD-CB 3.97Å; M136-Q144 HydrophobicContact SD-CG 3.91Å; Q144-V146 PolarHBondContact O-N 3.21Å
145K68.8Low69Low102 Ų10285.5 Ų85.544%0.44345%0.45SS..  trans-77.489.7-167.6-167.3170.6-175.6172.70112.1L134 E143 M610L134-K145 PolarHBondContact N-O 3.48Å; E143-K145 PolarHBondContact O-N 3.25Å; K145-M610 HydrophobicContact CD-SD 4.2Å; K145-M610 PolarHBondContact NZ-SD 3.37Å
146V81.3Confident69.6Low51 Ų5185.2 Ų85.231%0.30945%0.448SS..EExtended strand (participates in β ladder)trans-83.9120.2172.9-177.10000110D131 L132 E133 Q144 K148D131-V146 HydrophobicContact CB-CG1 3.6Å; L132-V146 CarbonylContact O-C 3.51Å; L132-V146 WeakPolarHBondContact O-CA 3.47Å; E133-V146 HydrophobicContact CG-CG2 4.43Å; Q144-V146 PolarHBondContact O-N 3.21Å; V146-K148 HydrophobicContact CG1-CG 4.05Å
147V83.8Confident70.9Confident22 Ų2283.9 Ų83.913%0.13344%0.44CS..EExtended strand (participates in β ladder)trans-84.8119166.4177.60000107.6L132 L134L132-V147 HydrophobicContact CB-CB 4.32Å; L132-V147 PolarHBondContact N-O 3.5Å; L132-V147 PolarHBondContact O-N 2.95Å; L134-V147 HydrophobicContact CD1-CG2 3.74Å; L134-V147 HydrophobicContact CG-CG2 4.2Å
148K87.2Confident72.6Confident100 Ų10081 Ų8144%0.43543%0.425SS..EExtended strand (participates in β ladder)trans-101.2127.5-178.9-65-171.4153.4-75.50110.3E129 D131 V146E129-K148 IonicContact OE1-NZ 3.56Å; E129-K148 PolarHBondContact OE1-NZ 2.8Å; D131-K148 WeakPolarHBondContact OD1-CG 3.46Å; D131-K148 IonicContact OD1-NZ 2.81Å; D131-K148 PolarHBondContact OD1-NZ 3.44Å; D131-K148 IonicContact OD2-NZ 3.6Å; D131-K148 PolarHBondContact OD2-NZ 2.8Å; V146-K148 HydrophobicContact CG1-CG 4.05Å
149E89.6Confident74.3Confident33 Ų3373.1 Ų73.115%0.15438%0.384CS..EExtended strand (participates in β ladder)trans-116127.5172.3-16663.6-16900109.8E129 I130 F151 F166 C169 R170E129-E149 CarbonylContact C-O 3.55Å; E129-E149 WeakPolarHBondContact CA-O 3.24Å; I130-E149 PolarHBondContact N-O 2.72Å; I130-E149 PolarHBondContact O-N 2.99Å; E149-F151 HydrophobicContact CG-CD1 3.91Å; E149-F151 HydrophobicContact CG-CE1 4.14Å; E149-F166 HydrophobicContact CB-CD2 4.13Å; E149-F166 HydrophobicContact CB-CE2 3.79Å; E149-F166 HydrophobicContact CG-CD2 4.28Å; E149-F166 HydrophobicContact CG-CE2 4.37Å; E149-C169 HydrophobicContact CG-CB 4.26Å; E149-C169 WeakPolarHBondContact OE1-CB 3.32Å; E149-R170 HydrophobicContact CB-CG 4.49Å; E149-R170 IonicContact OE2-CZ 2.86Å; E149-R170 IonicContact OE2-NE 2.73Å; E149-R170 PolarHBondContact OE2-NE 3.47Å; E149-R170 IonicContact OE2-NH2 3.4Å; E149-R170 PolarHBondContact OE2-NH2 3.46Å
150S88.8Confident76.1Confident85 Ų8567.1 Ų67.159%0.59435%0.354SS*.EExtended strand (participates in β ladder)trans-130.4115.5-175.7-68.80000111.5F128F128-S150 CarbonylContact O-C 3.56Å; F128-S150 VanDerWaalsContact O-CA 3.29Å; F128-S150 WeakPolarHBondContact O-CA 3.4Å
151F91Very high78.1Confident16 Ų1665.5 Ų65.57%0.0734%0.338CS..EExtended strand (participates in β ladder)trans-148.9147.9-173.458.8-83.5000113.4F128 I130 E149 F153 L162 H165 F166F128-F151 HydrophobicContact CB-CE1 4.25Å; F128-F151 HydrophobicContact CB-CE2 4.19Å; F128-F151 HydrophobicContact CB-CZ 4.01Å; F128-F151 HydrophobicContact CD2-CE2 4.41Å; F128-F151 PolarHBondContact N-O 2.67Å; F128-F151 PolarHBondContact O-N 3.17Å; I130-F151 HydrophobicContact CD1-CE1 3.78Å; I130-F151 HydrophobicContact CD1-CZ 3.7Å; I130-F151 HydrophobicContact CG1-CE1 4.05Å; I130-F151 HydrophobicContact CG1-CZ 4.39Å; E149-F151 HydrophobicContact CG-CD1 3.91Å; E149-F151 HydrophobicContact CG-CE1 4.14Å; F151-F153 HydrophobicContact CD2-CB 4.05Å; F151-F153 AromaticContact CD2-CD2 3.99Å; F151-F153 HydrophobicContact CD2-CD2 3.99Å; F151-F153 HydrophobicContact CD2-CG 4.41Å; F151-F153 HydrophobicContact CE2-CB 3.96Å; F151-F153 AromaticContact CE2-CD2 3.76Å; F151-F153 HydrophobicContact CE2-CD2 3.76Å; F151-F153 HydrophobicContact CE2-CG 4.06Å; F151-L162 HydrophobicContact CE2-CD1 3.54Å; F151-L162 HydrophobicContact CZ-CD1 3.59Å; F151-H165 AromaticContact CD2-CD2 3.5Å; F151-H165 AromaticContact CD2-NE2 3.57Å; F151-H165 AromaticContact CE2-CD2 3.42Å; F151-H165 VanDerWaalsContact CE2-CD2 3.42Å; F151-H165 WeakPolarHBondContact CE2-CD2 3.48Å; F151-H165 AromaticContact CG-CD2 3.99Å; F151-H165 AromaticContact CG-NE2 3.78Å; F151-H165 AromaticContact CZ-CD2 3.83Å; F151-F166 HydrophobicContact CE1-CD2 4.46Å
152P88.2Confident80Confident58 Ų5857.4 Ų57.438%0.37729%0.294SS..EExtended strand (participates in β ladder)trans-76.2137.6167.731.3-32.3000110.7I125I125-P152 HydrophobicContact CG2-CB 3.51Å
153F88.8Confident82.2Confident21 Ų2150.6 Ų50.69%0.09226%0.263CS..EExtended strand (participates in β ladder)trans-142.8133.4178-151.9-101.5000111.1L126 F128 F151 E157 F161 L162 H165 L216L126-F153 WeakPolarHBondContact CB-O 3.24Å; L126-F153 PolarHBondContact N-O 3.06Å; L126-F153 PolarHBondContact O-N 2.91Å; F128-F153 HydrophobicContact CD2-CB 3.73Å; F128-F153 HydrophobicContact CE2-CB 3.9Å; F151-F153 HydrophobicContact CD2-CB 4.05Å; F151-F153 AromaticContact CD2-CD2 3.99Å; F151-F153 HydrophobicContact CD2-CD2 3.99Å; F151-F153 HydrophobicContact CD2-CG 4.41Å; F151-F153 HydrophobicContact CE2-CB 3.96Å; F151-F153 AromaticContact CE2-CD2 3.76Å; F151-F153 HydrophobicContact CE2-CD2 3.76Å; F151-F153 HydrophobicContact CE2-CG 4.06Å; F153-E157 HydrophobicContact CD1-CB 4.25Å; F153-E157 HydrophobicContact CE1-CB 3.57Å; F153-E157 HydrophobicContact CE1-CG 4.14Å; F153-E157 HydrophobicContact CZ-CB 4.31Å; F153-F161 HydrophobicContact CE1-CB 4.45Å; F153-F161 HydrophobicContact CZ-CB 4.1Å; F153-L162 HydrophobicContact CB-CD1 4.42Å; F153-L162 HydrophobicContact CD1-CB 4.27Å; F153-L162 HydrophobicContact CD1-CD1 3.99Å; F153-L162 HydrophobicContact CE1-CB 3.9Å; F153-L162 HydrophobicContact CE1-CD1 4.35Å; F153-L162 HydrophobicContact CG-CD1 4.06Å; F153-L162 HydrophobicContact CZ-CB 4.4Å; F153-H165 HydrophobicContact CE2-CB 3.75Å; F153-H165 AromaticContact CE2-CG 3.87Å; F153-H165 HydrophobicContact CZ-CB 4.35Å; F153-L216 HydrophobicContact CD1-CD1 3.64Å; F153-L216 HydrophobicContact CE1-CD1 4.06Å
154P82.9Confident84Confident38 Ų3843.5 Ų43.525%0.24723%0.23CC..EExtended strand (participates in β ladder)trans-75.8139.2-174.429.4-34.4000112.8V123 I125 T156 E157V123-P154 HydrophobicContact CG1-CB 3.81Å; I125-P154 HydrophobicContact CD1-CB 3.92Å; P154-T156 PolarHBondContact O-N 2.93Å; P154-E157 HydrophobicContact CG-CG 3.86Å; P154-E157 PolarHBondContact O-N 2.98Å
155D83.1Confident85.4Confident9 Ų941.8 Ų41.85%0.04822%0.221CC..THydrogen-bonded Turntrans-73.9-6.9-177.686.9-29.7000114.7R124 L126 E157 L216 R217R124-D155 HydrophobicContact CB-CB 4.36Å; R124-D155 IonicContact CZ-OD2 3.81Å; R124-D155 PolarHBondContact N-OD1 3.37Å; R124-D155 IonicContact NE-OD2 3.96Å; R124-D155 PolarHBondContact NE-OD2 3.46Å; R124-D155 IonicContact NH2-OD2 3.29Å; R124-D155 PolarHBondContact NH2-OD2 3.28Å; R124-D155 WeakPolarHBondContact O-CB 3.21Å; R124-D155 PolarHBondContact O-N 3.1Å; L126-D155 HydrophobicContact CD1-CB 3.61Å; L126-D155 HydrophobicContact CD2-CB 4.37Å; L126-D155 HydrophobicContact CG-CB 3.84Å; D155-E157 PolarHBondContact O-N 3.41Å; D155-L216 HydrophobicContact CB-CB 4.35Å; D155-R217 HydrophobicContact CB-CB 4.24Å; D155-R217 VanDerWaalsContact O-CB 3.24Å; D155-R217 WeakPolarHBondContact O-CB 3.35Å; D155-R217 VanDerWaalsContact O-CG 3.24Å; D155-R217 WeakPolarHBondContact O-CG 3.27Å; D155-R217 PolarHBondContact O-N 3.03Å; D155-R217 WeakPolarHBondContact OD2-CB 3.32Å
156T79.8Confident86.6Confident52 Ų5237 Ų3732%0.31920%0.201SC..THydrogen-bonded Turntrans-65.3-23.8167.943.60000113.4V123 P154 L215V123-T156 HydrophobicContact CB-CG2 4.34Å; V123-T156 HydrophobicContact CG1-CG2 3.98Å; V123-T156 HydrophobicContact CG2-CG2 3.72Å; P154-T156 PolarHBondContact O-N 2.93Å; T156-L215 WeakPolarHBondContact O-CD2 3.22Å
157E83.5Confident87.1Confident66 Ų6634.5 Ų34.531%0.30819%0.186SC..SBendtrans-83.5169.7-173.9-71.9-59.3155.100114.4F153 P154 D155 F161 L215 L216F153-E157 HydrophobicContact CD1-CB 4.25Å; F153-E157 HydrophobicContact CE1-CB 3.57Å; F153-E157 HydrophobicContact CE1-CG 4.14Å; F153-E157 HydrophobicContact CZ-CB 4.31Å; P154-E157 HydrophobicContact CG-CG 3.86Å; P154-E157 PolarHBondContact O-N 2.98Å; D155-E157 PolarHBondContact O-N 3.41Å; E157-F161 HydrophobicContact CB-CB 4.46Å; E157-F161 WeakPolarHBondContact OE2-CD2 3.2Å; E157-F161 WeakPolarHBondContact OE2-CE2 3.48Å; E157-L215 CarbonylContact O-C 3.6Å; E157-L215 WeakPolarHBondContact O-CA 3.38Å; E157-L216 WeakPolarHBondContact O-CG 3.45Å; E157-L216 PolarHBondContact O-N 2.91Å
158T85.2Confident87.2Confident25 Ų2536.5 Ų36.515%0.15320%0.196CC..BIsolated β-bridgetrans-90.2157.4178.668.90000113.1G160 F161 L162 N212 T214 L215T158-G160 PolarHBondContact O-N 3.21Å; T158-G160 PolarHBondContact OG1-N 2.98Å; T158-F161 HydrophobicContact CG2-CD2 4.42Å; T158-F161 PolarHBondContact O-N 3.04Å; T158-F161 VanDerWaalsContact O-N 3.15Å; T158-F161 VanDerWaalsContact OG1-CD2 3.28Å; T158-F161 WeakPolarHBondContact OG1-CD2 3.36Å; T158-F161 PolarHBondContact OG1-N 2.85Å; T158-L162 PolarHBondContact O-N 2.92Å; T158-N212 WeakPolarHBondContact CB-O 3.35Å; T158-T214 CarbonylContact C-O 3.54Å; T158-T214 WeakPolarHBondContact CA-O 3.29Å; T158-L215 HydrophobicContact CG2-CD2 3.97Å
159V84Confident87.2Confident0 Ų034 Ų340%019%0.191CC..Hα-helixtrans-55.8-31.7166.5171.40000111.5K163 F209 D211 T214 L216 L219V159-K163 HydrophobicContact CG1-CD 4.43Å; V159-K163 WeakPolarHBondContact O-CB 3.3Å; V159-K163 WeakPolarHBondContact O-CG 3.39Å; V159-K163 PolarHBondContact O-N 3.25Å; V159-F209 HydrophobicContact CG1-CB 3.99Å; V159-F209 HydrophobicContact CG1-CD1 4.22Å; V159-F209 HydrophobicContact CG2-CD1 3.98Å; V159-D211 WeakPolarHBondContact CB-O 3.45Å; V159-T214 HydrophobicContact CG2-CG2 4.48Å; V159-T214 WeakPolarHBondContact CG2-O 3.49Å; V159-T214 PolarHBondContact N-O 3.01Å; V159-L216 HydrophobicContact CG2-CD2 3.8Å; V159-L219 HydrophobicContact CG2-CD1 3.86Å
160G85.5Confident87.2Confident11 Ų1135.6 Ų35.611%0.11320%0.195CC..Hα-helixtrans-63.9-46.717400000112.9T158 K163 Q164 N212T158-G160 PolarHBondContact O-N 3.21Å; T158-G160 PolarHBondContact OG1-N 2.98Å; G160-K163 PolarHBondContact O-N 3.29Å; G160-Q164 WeakPolarHBondContact O-CB 3.42Å; G160-Q164 PolarHBondContact O-N 3.1Å; G160-N212 WeakPolarHBondContact CA-O 3.3Å; G160-N212 PolarHBondContact N-O 2.86Å
161F86.7Confident87.3Confident77 Ų7731.8 Ų31.834%0.33817%0.168SC..Hα-helixtrans-66.6-39175.2-78.2-61.9000112.4F153 E157 T158 K163 Q164 H165 I332F153-F161 HydrophobicContact CE1-CB 4.45Å; F153-F161 HydrophobicContact CZ-CB 4.1Å; E157-F161 HydrophobicContact CB-CB 4.46Å; E157-F161 WeakPolarHBondContact OE2-CD2 3.2Å; E157-F161 WeakPolarHBondContact OE2-CE2 3.48Å; T158-F161 HydrophobicContact CG2-CD2 4.42Å; T158-F161 PolarHBondContact O-N 3.04Å; T158-F161 VanDerWaalsContact O-N 3.15Å; T158-F161 VanDerWaalsContact OG1-CD2 3.28Å; T158-F161 WeakPolarHBondContact OG1-CD2 3.36Å; T158-F161 PolarHBondContact OG1-N 2.85Å; F161-K163 PolarHBondContact O-N 3.32Å; F161-Q164 PolarHBondContact O-N 3.07Å; F161-H165 WeakPolarHBondContact O-CB 3.18Å; F161-H165 PolarHBondContact O-N 2.58Å; F161-I332 HydrophobicContact CE1-CG1 4.17Å; F161-I332 HydrophobicContact CE2-CG1 4.48Å; F161-I332 HydrophobicContact CZ-CD1 3.98Å; F161-I332 HydrophobicContact CZ-CG1 3.6Å
162L89.1Confident87.1Confident0 Ų031.6 Ų31.60%017%0.168CC..Hα-helixtrans-57.7-46.6173.2176.363.4000111.7F128 F151 F153 T158 F166 L201 F209 L216 L227F128-L162 HydrophobicContact CD1-CD1 4.33Å; F128-L162 HydrophobicContact CD1-CD2 4.1Å; F128-L162 HydrophobicContact CD2-CD1 3.79Å; F128-L162 HydrophobicContact CE1-CD1 4.47Å; F128-L162 HydrophobicContact CE1-CD2 3.62Å; F128-L162 HydrophobicContact CE2-CD1 3.93Å; F128-L162 HydrophobicContact CE2-CD2 4.13Å; F128-L162 HydrophobicContact CG-CD1 3.99Å; F128-L162 HydrophobicContact CZ-CD1 4.28Å; F128-L162 HydrophobicContact CZ-CD2 3.64Å; F151-L162 HydrophobicContact CE2-CD1 3.54Å; F151-L162 HydrophobicContact CZ-CD1 3.59Å; F153-L162 HydrophobicContact CB-CD1 4.42Å; F153-L162 HydrophobicContact CD1-CB 4.27Å; F153-L162 HydrophobicContact CD1-CD1 3.99Å; F153-L162 HydrophobicContact CE1-CB 3.9Å; F153-L162 HydrophobicContact CE1-CD1 4.35Å; F153-L162 HydrophobicContact CG-CD1 4.06Å; F153-L162 HydrophobicContact CZ-CB 4.4Å; T158-L162 PolarHBondContact O-N 2.92Å; L162-F166 PolarHBondContact O-N 3.36Å; L162-F166 VanDerWaalsContact O-N 3.11Å; L162-L201 HydrophobicContact CD2-CD1 4.25Å; L162-L201 HydrophobicContact CG-CD1 4.39Å; L162-F209 HydrophobicContact CD2-CD1 4.23Å; L162-F209 HydrophobicContact CD2-CE1 4.07Å; L162-L216 HydrophobicContact CB-CD1 4.36Å; L162-L216 HydrophobicContact CD2-CD1 4.34Å; L162-L216 HydrophobicContact CD2-CD2 3.86Å; L162-L227 HydrophobicContact CD2-CD1 4.42Å
163K91.6Very high87.1Confident0 Ų030.4 Ų30.40%016%0.158CC..Hα-helixtrans-64.8-42.2175.2-77.1-179.9-173179.50112.3V159 G160 F161 F166 I167 L196 L199 L201 F209 N212V159-K163 HydrophobicContact CG1-CD 4.43Å; V159-K163 WeakPolarHBondContact O-CB 3.3Å; V159-K163 WeakPolarHBondContact O-CG 3.39Å; V159-K163 PolarHBondContact O-N 3.25Å; G160-K163 PolarHBondContact O-N 3.29Å; F161-K163 PolarHBondContact O-N 3.32Å; K163-F166 PolarHBondContact O-N 2.9Å; K163-I167 WeakPolarHBondContact O-CB 3.47Å; K163-I167 WeakPolarHBondContact O-CD1 3.35Å; K163-I167 WeakPolarHBondContact O-CG1 3.3Å; K163-I167 PolarHBondContact O-N 3.31Å; K163-L196 HydrophobicContact CB-CD1 3.46Å; K163-L196 VanDerWaalsContact CB-CD1 3.46Å; K163-L196 HydrophobicContact CD-CD1 3.99Å; K163-L196 HydrophobicContact CG-CD1 4.39Å; K163-L199 HydrophobicContact CB-CD2 3.97Å; K163-L199 HydrophobicContact CD-CG 4.48Å; K163-L199 WeakPolarHBondContact CE-O 3.45Å; K163-L199 HydrophobicContact CG-CD2 4Å; K163-L199 HydrophobicContact CG-CG 4.37Å; K163-L199 PolarHBondContact NZ-O 2.87Å; K163-L199 VanDerWaalsContact NZ-O 3.11Å; K163-L201 HydrophobicContact CG-CD1 3.66Å; K163-L201 HydrophobicContact CG-CG 4.12Å; K163-F209 VanDerWaalsContact CE-O 3.25Å; K163-F209 WeakPolarHBondContact CE-O 3.48Å; K163-F209 PolarHBondContact NZ-O 2.91Å; K163-N212 WeakPolarHBondContact CD-OD1 3.33Å; K163-N212 PolarHBondContact NZ-OD1 2.86Å
164Q88.1Confident87.3Confident42 Ų4229.4 Ų29.420%0.19615%0.153CC..Hα-helixtrans-63.5-44.4179.1-178.653.352.800111.3G160 F161 F166 I167 D168G160-Q164 WeakPolarHBondContact O-CB 3.42Å; G160-Q164 PolarHBondContact O-N 3.1Å; F161-Q164 PolarHBondContact O-N 3.07Å; Q164-F166 PolarHBondContact O-N 3.08Å; Q164-I167 CarbonylContact O-C 3.52Å; Q164-I167 WeakPolarHBondContact O-CB 3.22Å; Q164-I167 PolarHBondContact O-N 3Å; Q164-I167 VanDerWaalsContact O-N 3.17Å; Q164-D168 PolarHBondContact NE2-OD1 2.67Å; Q164-D168 PolarHBondContact NE2-OD2 3.39Å; Q164-D168 PolarHBondContact O-N 3.36Å; Q164-D168 VanDerWaalsContact O-OD2 3.11Å
165H87.1Confident87.6Confident69 Ų6927.6 Ų27.632%0.31914%0.141SC..Hα-helixtrans-59.1-46.4174.6-179.476.3000111.9F151 F153 F161 I167 D168 C169F151-H165 AromaticContact CD2-CD2 3.5Å; F151-H165 AromaticContact CD2-NE2 3.57Å; F151-H165 AromaticContact CE2-CD2 3.42Å; F151-H165 VanDerWaalsContact CE2-CD2 3.42Å; F151-H165 WeakPolarHBondContact CE2-CD2 3.48Å; F151-H165 AromaticContact CG-CD2 3.99Å; F151-H165 AromaticContact CG-NE2 3.78Å; F151-H165 AromaticContact CZ-CD2 3.83Å; F153-H165 HydrophobicContact CE2-CB 3.75Å; F153-H165 AromaticContact CE2-CG 3.87Å; F153-H165 HydrophobicContact CZ-CB 4.35Å; F161-H165 WeakPolarHBondContact O-CB 3.18Å; F161-H165 PolarHBondContact O-N 2.58Å; H165-I167 VanDerWaalsContact C-N 3.32Å; H165-I167 PolarHBondContact O-N 2.81Å; H165-D168 PolarHBondContact O-N 3.12Å; H165-D168 VanDerWaalsContact O-N 3.12Å; H165-C169 PolarHBondContact O-N 2.88Å; H165-C169 PolarHBondContact O-SG 2.87Å; H165-C169 VanDerWaalsContact O-SG 3.4Å
166F93.4Very high87.8Confident1 Ų127.9 Ų27.90%0.00414%0.142CC..Hα-helixtrans-62.2-37.8174.9-179.3-96.9000112.9I130 L132 E149 F151 L162 K163 Q164 D168 C169 R170 L174 L199 A229I130-F166 HydrophobicContact CB-CD2 3.9Å; I130-F166 HydrophobicContact CB-CE2 3.71Å; I130-F166 HydrophobicContact CD1-CB 4.37Å; I130-F166 HydrophobicContact CD1-CD2 3.88Å; I130-F166 HydrophobicContact CD1-CG 4.22Å; I130-F166 HydrophobicContact CG1-CD2 4.36Å; I130-F166 HydrophobicContact CG2-CD2 3.84Å; I130-F166 HydrophobicContact CG2-CE1 4.42Å; I130-F166 HydrophobicContact CG2-CE2 3.49Å; I130-F166 VanDerWaalsContact CG2-CE2 3.49Å; I130-F166 HydrophobicContact CG2-CG 4.43Å; I130-F166 HydrophobicContact CG2-CZ 3.82Å; L132-F166 HydrophobicContact CB-CZ 4.15Å; L132-F166 HydrophobicContact CD1-CE1 4.49Å; L132-F166 HydrophobicContact CD1-CZ 4.44Å; L132-F166 HydrophobicContact CD2-CZ 4.4Å; E149-F166 HydrophobicContact CB-CD2 4.13Å; E149-F166 HydrophobicContact CB-CE2 3.79Å; E149-F166 HydrophobicContact CG-CD2 4.28Å; E149-F166 HydrophobicContact CG-CE2 4.37Å; F151-F166 HydrophobicContact CE1-CD2 4.46Å; L162-F166 PolarHBondContact O-N 3.36Å; L162-F166 VanDerWaalsContact O-N 3.11Å; K163-F166 PolarHBondContact O-N 2.9Å; Q164-F166 PolarHBondContact O-N 3.08Å; F166-D168 VanDerWaalsContact C-N 3.34Å; F166-C169 PolarHBondContact O-N 2.82Å; F166-R170 HydrophobicContact CE2-CG 4.15Å; F166-R170 HydrophobicContact CZ-CB 4.32Å; F166-R170 HydrophobicContact CZ-CG 4.31Å; F166-R170 PolarHBondContact O-N 3.31Å; F166-L174 HydrophobicContact CD1-CD1 4.33Å; F166-L174 HydrophobicContact CE1-CD1 4.17Å; F166-L174 HydrophobicContact CE1-CD2 4.4Å; F166-L199 HydrophobicContact CD1-CD1 4.49Å; F166-L199 HydrophobicContact CD1-CD2 3.88Å; F166-L199 HydrophobicContact CE1-CD1 4.43Å; F166-A229 HydrophobicContact CD1-CB 4.45Å; F166-A229 HydrophobicContact CE1-CB 3.57Å; F166-A229 HydrophobicContact CZ-CB 3.68Å
167I91.9Very high88.2Confident0 Ų026.2 Ų26.20%013%0.132CC..Hα-helixtrans-63.2-39.5172.7-71.5163.6000111.1K163 Q164 H165 L171 L174 K192 L195 L196 L199K163-I167 WeakPolarHBondContact O-CB 3.47Å; K163-I167 WeakPolarHBondContact O-CD1 3.35Å; K163-I167 WeakPolarHBondContact O-CG1 3.3Å; K163-I167 PolarHBondContact O-N 3.31Å; Q164-I167 CarbonylContact O-C 3.52Å; Q164-I167 WeakPolarHBondContact O-CB 3.22Å; Q164-I167 PolarHBondContact O-N 3Å; Q164-I167 VanDerWaalsContact O-N 3.17Å; H165-I167 VanDerWaalsContact C-N 3.32Å; H165-I167 PolarHBondContact O-N 2.81Å; I167-L171 HydrophobicContact CG2-CD1 3.8Å; I167-L171 VanDerWaalsContact O-CA 3.24Å; I167-L171 WeakPolarHBondContact O-CA 3.44Å; I167-L171 VanDerWaalsContact O-CB 3.25Å; I167-L171 WeakPolarHBondContact O-CB 3.35Å; I167-L171 PolarHBondContact O-N 2.87Å; I167-L174 HydrophobicContact CB-CD1 4.29Å; I167-L174 HydrophobicContact CG1-CD1 3.89Å; I167-K192 HydrophobicContact CG2-CB 4.07Å; I167-K192 HydrophobicContact CG2-CG 4.03Å; I167-L195 HydrophobicContact CD1-CB 4.45Å; I167-L196 HydrophobicContact CD1-CB 3.8Å; I167-L196 HydrophobicContact CD1-CD1 4.02Å; I167-L199 HydrophobicContact CD1-CD2 3.88Å; I167-L199 HydrophobicContact CG1-CD2 3.68Å
168D86.4Confident88.5Confident63 Ų6323.1 Ų23.134%0.33712%0.117SC..Hα-helixtrans-69.4-37.1177.7-72.9-48.2000112.4Q164 H165 F166 K192Q164-D168 PolarHBondContact NE2-OD1 2.67Å; Q164-D168 PolarHBondContact NE2-OD2 3.39Å; Q164-D168 PolarHBondContact O-N 3.36Å; Q164-D168 VanDerWaalsContact O-OD2 3.11Å; H165-D168 PolarHBondContact O-N 3.12Å; H165-D168 VanDerWaalsContact O-N 3.12Å; F166-D168 VanDerWaalsContact C-N 3.34Å; D168-K192 WeakPolarHBondContact OD1-CD 3.33Å; D168-K192 WeakPolarHBondContact OD1-CE 3.44Å; D168-K192 IonicContact OD1-NZ 2.92Å; D168-K192 PolarHBondContact OD1-NZ 3.32Å
169C86.9Confident88.5Confident49 Ų4922.2 Ų22.233%0.33111%0.112SC..Hα-helixtrans-72.3-34.1176.2-64.50000113.8E149 H165 F166E149-C169 HydrophobicContact CG-CB 4.26Å; E149-C169 WeakPolarHBondContact OE1-CB 3.32Å; H165-C169 PolarHBondContact O-N 2.88Å; H165-C169 PolarHBondContact O-SG 2.87Å; H165-C169 VanDerWaalsContact O-SG 3.4Å; F166-C169 PolarHBondContact O-N 2.82Å
170R90.2Very high88.5Confident65 Ų6522.9 Ų22.925%0.24512%0.116CC..SBendtrans-12534-171.3-64-65.5174.9-172.7-9.9113.7E149 F166 T172 E173 L174E149-R170 HydrophobicContact CB-CG 4.49Å; E149-R170 IonicContact OE2-CZ 2.86Å; E149-R170 IonicContact OE2-NE 2.73Å; E149-R170 PolarHBondContact OE2-NE 3.47Å; E149-R170 IonicContact OE2-NH2 3.4Å; E149-R170 PolarHBondContact OE2-NH2 3.46Å; F166-R170 HydrophobicContact CE2-CG 4.15Å; F166-R170 HydrophobicContact CZ-CB 4.32Å; F166-R170 HydrophobicContact CZ-CG 4.31Å; F166-R170 PolarHBondContact O-N 3.31Å; R170-T172 PolarHBondContact O-N 3.35Å; R170-E173 WeakPolarHBondContact CA-OE2 3.43Å; R170-E173 WeakPolarHBondContact CD-OE1 3.47Å; R170-E173 IonicContact CZ-OE1 2.83Å; R170-E173 IonicContact NE-OE1 2.81Å; R170-E173 IonicContact NH1-OE1 2.65Å; R170-E173 PolarHBondContact NH1-OE1 3.14Å; R170-E173 PolarHBondContact O-N 3.12Å; R170-L174 WeakPolarHBondContact O-CB 3.44Å; R170-L174 WeakPolarHBondContact O-CD1 3.4Å; R170-L174 VanDerWaalsContact O-CG 3.25Å; R170-L174 WeakPolarHBondContact O-CG 3.36Å; R170-L174 PolarHBondContact O-N 2.85Å
171L89.5Confident88.3Confident5 Ų526.2 Ų26.23%0.02614%0.136CC..Hα-helixtrans-61.7-43.7-174.4-169.760.1000112.4I167 E173 L174 I175 K192 L195 Q593 T616I167-L171 HydrophobicContact CG2-CD1 3.8Å; I167-L171 VanDerWaalsContact O-CA 3.24Å; I167-L171 WeakPolarHBondContact O-CA 3.44Å; I167-L171 VanDerWaalsContact O-CB 3.25Å; I167-L171 WeakPolarHBondContact O-CB 3.35Å; I167-L171 PolarHBondContact O-N 2.87Å; L171-E173 PolarHBondContact O-N 3.25Å; L171-L174 PolarHBondContact O-N 3.13Å; L171-I175 HydrophobicContact CD1-CD1 4.23Å; L171-I175 HydrophobicContact CD1-CG1 4.25Å; L171-I175 HydrophobicContact CD2-CD1 4.22Å; L171-I175 HydrophobicContact CG-CD1 3.75Å; L171-I175 HydrophobicContact CG-CG1 4.21Å; L171-I175 VanDerWaalsContact O-CG1 3.26Å; L171-I175 WeakPolarHBondContact O-CG1 3.26Å; L171-I175 PolarHBondContact O-N 3.23Å; L171-K192 HydrophobicContact CD1-CG 3.95Å; L171-K192 HydrophobicContact CD2-CD 4.39Å; L171-K192 HydrophobicContact CD2-CG 3.94Å; L171-L195 HydrophobicContact CD1-CD1 3.46Å; L171-L195 VanDerWaalsContact CD1-CD1 3.46Å; L171-Q593 HydrophobicContact CD2-CG 3.83Å; L171-T616 HydrophobicContact CD2-CG2 4.14Å; L171-T616 VanDerWaalsContact CD2-OG1 3.27Å; L171-T616 WeakPolarHBondContact CD2-OG1 3.29Å
172T87Confident87.9Confident13 Ų1330.1 Ų30.18%0.0816%0.155CC..Hα-helixtrans-62.4-43.7-177.1-63.80000111.4R170 I175 Q176 S611 F614R170-T172 PolarHBondContact O-N 3.35Å; T172-I175 PolarHBondContact O-N 3.29Å; T172-Q176 WeakPolarHBondContact O-CB 3.23Å; T172-Q176 PolarHBondContact O-N 3.44Å; T172-S611 WeakPolarHBondContact CG2-OG 3.38Å; T172-F614 PolarHBondContact OG1-O 2.99Å
173E89.2Confident87.7Confident32 Ų3231 Ų3115%0.1516%0.16CC..Hα-helixtrans-67.8-38.5175.9-60.295.313900112.1L132 L134 R170 L171 Q176 L177L132-E173 HydrophobicContact CD2-CB 3.85Å; L134-E173 HydrophobicContact CD2-CB 4.45Å; R170-E173 WeakPolarHBondContact CA-OE2 3.43Å; R170-E173 WeakPolarHBondContact CD-OE1 3.47Å; R170-E173 IonicContact CZ-OE1 2.83Å; R170-E173 IonicContact NE-OE1 2.81Å; R170-E173 IonicContact NH1-OE1 2.65Å; R170-E173 PolarHBondContact NH1-OE1 3.14Å; R170-E173 PolarHBondContact O-N 3.12Å; L171-E173 PolarHBondContact O-N 3.25Å; E173-Q176 PolarHBondContact O-N 3.29Å; E173-L177 WeakPolarHBondContact O-CG 3.42Å; E173-L177 PolarHBondContact O-N 2.95Å
174L91.7Very high87.1Confident0 Ų032.6 Ų32.60%018%0.176CC..Hα-helixtrans-68.6-34.2175-70.3167.6000112.5L132 F166 I167 R170 L171 L177 A178 L195 L199 L231L132-L174 HydrophobicContact CD1-CD2 3.94Å; L132-L174 HydrophobicContact CD2-CD2 4.22Å; L132-L174 HydrophobicContact CD2-CG 4.37Å; F166-L174 HydrophobicContact CD1-CD1 4.33Å; F166-L174 HydrophobicContact CE1-CD1 4.17Å; F166-L174 HydrophobicContact CE1-CD2 4.4Å; I167-L174 HydrophobicContact CB-CD1 4.29Å; I167-L174 HydrophobicContact CG1-CD1 3.89Å; R170-L174 WeakPolarHBondContact O-CB 3.44Å; R170-L174 WeakPolarHBondContact O-CD1 3.4Å; R170-L174 VanDerWaalsContact O-CG 3.25Å; R170-L174 WeakPolarHBondContact O-CG 3.36Å; R170-L174 PolarHBondContact O-N 2.85Å; L171-L174 PolarHBondContact O-N 3.13Å; L174-L177 HydrophobicContact CD2-CD1 4.33Å; L174-A178 VanDerWaalsContact O-CB 3.28Å; L174-A178 WeakPolarHBondContact O-CB 3.18Å; L174-A178 PolarHBondContact O-N 3.4Å; L174-L195 HydrophobicContact CB-CD1 4.23Å; L174-L199 HydrophobicContact CD2-CD1 4.47Å; L174-L231 HydrophobicContact CD2-CD1 4.29Å; L174-L231 HydrophobicContact CD2-CD2 4.05Å; L174-L231 HydrophobicContact CD2-CG 4.05Å; L174-L231 WeakPolarHBondContact O-CD1 3.5Å
175I89.9Confident86.6Confident0 Ų035 Ų350%020%0.198CC..Hα-helixtrans-70.2-38.6170.6-61.7166.2000110.1L171 T172 L177 A178 T179 C190 L195 C596 I597 L600L171-I175 HydrophobicContact CD1-CD1 4.23Å; L171-I175 HydrophobicContact CD1-CG1 4.25Å; L171-I175 HydrophobicContact CD2-CD1 4.22Å; L171-I175 HydrophobicContact CG-CD1 3.75Å; L171-I175 HydrophobicContact CG-CG1 4.21Å; L171-I175 VanDerWaalsContact O-CG1 3.26Å; L171-I175 WeakPolarHBondContact O-CG1 3.26Å; L171-I175 PolarHBondContact O-N 3.23Å; T172-I175 PolarHBondContact O-N 3.29Å; I175-L177 VanDerWaalsContact C-N 3.33Å; I175-L177 PolarHBondContact O-N 2.95Å; I175-A178 PolarHBondContact O-N 2.99Å; I175-T179 HydrophobicContact CG2-CG2 3.91Å; I175-T179 WeakPolarHBondContact O-CB 3.45Å; I175-T179 WeakPolarHBondContact O-CG2 3.46Å; I175-T179 PolarHBondContact O-N 3.15Å; I175-T179 PolarHBondContact O-OG1 3.31Å; I175-C190 HydrophobicContact CG1-CB 4.21Å; I175-C190 HydrophobicContact CG2-CB 4.15Å; I175-L195 HydrophobicContact CG1-CD1 4.24Å; I175-C596 HydrophobicContact CD1-CB 4.22Å; I175-I597 HydrophobicContact CD1-CG1 4.19Å; I175-I597 HydrophobicContact CG1-CG1 4.47Å; I175-I597 HydrophobicContact CG2-CB 4.23Å; I175-I597 HydrophobicContact CG2-CG1 3.57Å; I175-L600 HydrophobicContact CB-CD1 3.71Å; I175-L600 HydrophobicContact CG2-CD1 3.41Å; I175-L600 VanDerWaalsContact CG2-CD1 3.41Å
176Q87.7Confident86.4Confident15 Ų1536.6 Ų36.67%0.0720%0.204CC..Hα-helixtrans-61-43.2175.8-174.3168-1.400110.9T172 E173 T179 S180 L600 T609T172-Q176 WeakPolarHBondContact O-CB 3.23Å; T172-Q176 PolarHBondContact O-N 3.44Å; E173-Q176 PolarHBondContact O-N 3.29Å; Q176-T179 PolarHBondContact O-OG1 3.46Å; Q176-S180 PolarHBondContact O-N 3.37Å; Q176-L600 HydrophobicContact CB-CD1 4.27Å; Q176-L600 HydrophobicContact CB-CD2 3.86Å; Q176-L600 HydrophobicContact CG-CD2 4.05Å; Q176-T609 PolarHBondContact NE2-O 3.15Å; Q176-T609 VanDerWaalsContact NE2-O 3.11Å
177L88.4Confident85.9Confident18 Ų1836.7 Ų36.79%0.09421%0.205CC..Hα-helixtrans-60.2-50.6170.3-73.2171.4000112.3L132 L134 P135 E173 L174 I175 T179 S180 L231L132-L177 HydrophobicContact CD1-CD1 3.63Å; L132-L177 HydrophobicContact CD2-CD1 4.08Å; L132-L177 HydrophobicContact CG-CD1 3.95Å; L134-L177 HydrophobicContact CD2-CD1 4.11Å; L134-L177 HydrophobicContact CD2-CD2 3.94Å; L134-L177 HydrophobicContact CD2-CG 3.85Å; P135-L177 HydrophobicContact CG-CD2 4.14Å; E173-L177 WeakPolarHBondContact O-CG 3.42Å; E173-L177 PolarHBondContact O-N 2.95Å; L174-L177 HydrophobicContact CD2-CD1 4.33Å; I175-L177 VanDerWaalsContact C-N 3.33Å; I175-L177 PolarHBondContact O-N 2.95Å; L177-T179 VanDerWaalsContact C-N 3.3Å; L177-T179 PolarHBondContact O-N 2.86Å; L177-S180 VanDerWaalsContact O-CB 3.24Å; L177-S180 WeakPolarHBondContact O-CB 3.44Å; L177-S180 PolarHBondContact O-N 3.06Å; L177-S180 PolarHBondContact O-OG 3.2Å; L177-L231 HydrophobicContact CB-CD1 3.87Å
178A89.1Confident85.3Confident0 Ų042.9 Ų42.90%024%0.243CC..Hα-helixtrans-65.7-29.4-177.100000113.7L174 I175 L183 G184 I187 C190 L195 L231L174-A178 VanDerWaalsContact O-CB 3.28Å; L174-A178 WeakPolarHBondContact O-CB 3.18Å; L174-A178 PolarHBondContact O-N 3.4Å; I175-A178 PolarHBondContact O-N 2.99Å; A178-L183 CarbonylContact O-C 3.59Å; A178-G184 WeakPolarHBondContact O-CA 3.41Å; A178-G184 PolarHBondContact O-N 2.94Å; A178-G184 VanDerWaalsContact O-N 3.12Å; A178-I187 HydrophobicContact CB-CB 4.38Å; A178-I187 HydrophobicContact CB-CD1 4.32Å; A178-I187 HydrophobicContact CB-CG2 4.05Å; A178-C190 HydrophobicContact CB-CB 4.46Å; A178-C190 VanDerWaalsContact CB-SG 3.52Å; A178-L195 HydrophobicContact CB-CD2 3.82Å; A178-L231 HydrophobicContact CB-CD1 3.97Å
179T85.1Confident85.1Confident7 Ų744.4 Ų44.44%0.04325%0.248CC..Hα-helixtrans-91.4-3.3178.355.90000114.1I175 Q176 L177 I597 Q601I175-T179 HydrophobicContact CG2-CG2 3.91Å; I175-T179 WeakPolarHBondContact O-CB 3.45Å; I175-T179 WeakPolarHBondContact O-CG2 3.46Å; I175-T179 PolarHBondContact O-N 3.15Å; I175-T179 PolarHBondContact O-OG1 3.31Å; Q176-T179 PolarHBondContact O-OG1 3.46Å; L177-T179 VanDerWaalsContact C-N 3.3Å; L177-T179 PolarHBondContact O-N 2.86Å; T179-I597 HydrophobicContact CG2-CG2 4.15Å; T179-Q601 HydrophobicContact CG2-CG 3.86Å
180S85.1Confident85.1Confident14 Ų1442.4 Ų42.410%0.09823%0.234CC..SBendtrans-57.5156.9175.5700000112.6Q176 L177 E182 L183 G184Q176-S180 PolarHBondContact O-N 3.37Å; L177-S180 VanDerWaalsContact O-CB 3.24Å; L177-S180 WeakPolarHBondContact O-CB 3.44Å; L177-S180 PolarHBondContact O-N 3.06Å; L177-S180 PolarHBondContact O-OG 3.2Å; S180-E182 PolarHBondContact O-N 3.47Å; S180-L183 PolarHBondContact O-N 3.44Å; S180-L183 WeakPolarHBondContact OG-CB 3.26Å; S180-L183 PolarHBondContact OG-N 3.27Å; S180-G184 PolarHBondContact O-N 3.46Å
181P79.8Confident84.8Confident81 Ų8139.9 Ų39.953%0.52623%0.227SC..THydrogen-bonded Turntrans-58.5-33.1-179.5-25.635.8000114.1R605P181-R605 WeakPolarHBondContact CD-O 3.34Å; P181-R605 WeakPolarHBondContact CG-O 3.47Å
182E79.5Confident84.6Confident158 Ų15841 Ų4174%0.73823%0.231SC*.THydrogen-bonded Turntrans-69.9-41179.7-58.9-175.1179.900112.3S180S180-E182 PolarHBondContact O-N 3.47Å
183L84.1Confident84.4Confident18 Ų1843.2 Ų43.29%0.09425%0.251CS..THydrogen-bonded Turntrans-108-30.3-163.4-168.955000113.7A178 S180 S185 K186 I187 L231 P233A178-L183 CarbonylContact O-C 3.59Å; S180-L183 PolarHBondContact O-N 3.44Å; S180-L183 WeakPolarHBondContact OG-CB 3.26Å; S180-L183 PolarHBondContact OG-N 3.27Å; L183-S185 PolarHBondContact O-N 3.48Å; L183-S185 VanDerWaalsContact O-N 3.14Å; L183-K186 PolarHBondContact O-N 3.4Å; L183-I187 HydrophobicContact CD1-CD1 3.78Å; L183-I187 HydrophobicContact CD1-CG1 3.83Å; L183-I187 HydrophobicContact CD2-CD1 3.73Å; L183-I187 HydrophobicContact CD2-CG1 4.49Å; L183-I187 HydrophobicContact CG-CD1 3.64Å; L183-I187 HydrophobicContact CG-CG1 3.86Å; L183-I187 PolarHBondContact O-N 2.9Å; L183-L231 HydrophobicContact CD2-CB 3.61Å; L183-L231 HydrophobicContact CD2-CD1 4.02Å; L183-L231 HydrophobicContact CD2-CG 4.48Å; L183-P233 HydrophobicContact CD1-CB 3.98Å
184G78.4Confident84.3Confident34 Ų3442.4 Ų42.435%0.35125%0.247SC..THydrogen-bonded Turntrans-68.3-10.5-178.800000114.9A178 S180 K186A178-G184 WeakPolarHBondContact O-CA 3.41Å; A178-G184 PolarHBondContact O-N 2.94Å; A178-G184 VanDerWaalsContact O-N 3.12Å; S180-G184 PolarHBondContact O-N 3.46Å; G184-K186 VanDerWaalsContact C-N 3.26Å
185S78.9Confident84.2Confident94 Ų9442.4 Ų42.466%0.65725%0.247SC*.THydrogen-bonded Turntrans-76.1-13.8167.764.60000113.5L183L183-S185 PolarHBondContact O-N 3.48Å; L183-S185 VanDerWaalsContact O-N 3.14Å
186K81.7Confident84.1Confident101 Ų10144.1 Ų44.144%0.43926%0.256SS..THydrogen-bonded Turntrans-120.5-42.3-176.6-62.2-176.7171.9-161.60112.9L183 G184 T188 P233 D234L183-K186 PolarHBondContact O-N 3.4Å; G184-K186 VanDerWaalsContact C-N 3.26Å; K186-T188 PolarHBondContact O-N 3.1Å; K186-P233 WeakPolarHBondContact CB-O 3.45Å; K186-P233 HydrophobicContact CD-CB 3.45Å; K186-P233 VanDerWaalsContact CD-CB 3.45Å; K186-P233 WeakPolarHBondContact CD-O 3.38Å; K186-D234 IonicContact NZ-OD1 3.08Å; K186-D234 PolarHBondContact NZ-OD1 3.09Å; K186-D234 VanDerWaalsContact NZ-OD1 3.08Å
187I84.3Confident84Confident4 Ų446.7 Ų46.72%0.02127%0.267CS..  trans-86.686.4173.1-54.7-170.5000108.7A178 L183 E189 H198 L231A178-I187 HydrophobicContact CB-CB 4.38Å; A178-I187 HydrophobicContact CB-CD1 4.32Å; A178-I187 HydrophobicContact CB-CG2 4.05Å; L183-I187 HydrophobicContact CD1-CD1 3.78Å; L183-I187 HydrophobicContact CD1-CG1 3.83Å; L183-I187 HydrophobicContact CD2-CD1 3.73Å; L183-I187 HydrophobicContact CD2-CG1 4.49Å; L183-I187 HydrophobicContact CG-CD1 3.64Å; L183-I187 HydrophobicContact CG-CG1 3.86Å; L183-I187 PolarHBondContact O-N 2.9Å; I187-E189 VanDerWaalsContact C-N 3.28Å; I187-E189 VanDerWaalsContact CG2-O 3.3Å; I187-E189 WeakPolarHBondContact CG2-O 3.24Å; I187-E189 PolarHBondContact O-N 2.84Å; I187-H198 HydrophobicContact CD1-CB 3.81Å; I187-L231 HydrophobicContact CD1-CB 4.31Å; I187-L231 HydrophobicContact CD1-CD1 4.31Å
188T77.6Confident84Confident130 Ų13046.1 Ų46.180%0.79826%0.264SS*.  trans-77.5-11-178.657.70000114.1K186K186-T188 PolarHBondContact O-N 3.1Å
189E83.6Confident84.2Confident95 Ų9546.1 Ų46.144%0.44426%0.264SS..  trans-136122.6-179.3-172.2-160.6151.100108.9I187 S191 N194I187-E189 VanDerWaalsContact C-N 3.28Å; I187-E189 VanDerWaalsContact CG2-O 3.3Å; I187-E189 WeakPolarHBondContact CG2-O 3.24Å; I187-E189 PolarHBondContact O-N 2.84Å; E189-S191 VanDerWaalsContact OE1-CB 3.27Å; E189-S191 WeakPolarHBondContact OE1-CB 3.39Å; E189-S191 PolarHBondContact OE1-OG 3.19Å; E189-N194 HydrophobicContact CB-CB 4.24Å; E189-N194 HydrophobicContact CG-CB 4.22Å; E189-N194 WeakPolarHBondContact O-CB 3.38Å; E189-N194 PolarHBondContact O-ND2 3.07Å
190C85.9Confident84.5Confident6 Ų647.6 Ų47.64%0.04127%0.273CS..  trans-106.625.3-176.3-58.90000113.1I175 A178 L195 I597I175-C190 HydrophobicContact CG1-CB 4.21Å; I175-C190 HydrophobicContact CG2-CB 4.15Å; A178-C190 HydrophobicContact CB-CB 4.46Å; A178-C190 VanDerWaalsContact CB-SG 3.52Å; C190-L195 WeakPolarHBondContact O-CD1 3.37Å; C190-I597 HydrophobicContact CB-CD1 3.73Å; C190-I597 HydrophobicContact CB-CG1 3.82Å
191S83.6Confident84.8Confident13 Ų1347.3 Ų47.39%0.09127%0.27CS..  trans-66.1153.3173.1730000111E189 A193 N194 L195E189-S191 VanDerWaalsContact OE1-CB 3.27Å; E189-S191 WeakPolarHBondContact OE1-CB 3.39Å; E189-S191 PolarHBondContact OE1-OG 3.19Å; S191-A193 PolarHBondContact O-N 3.4Å; S191-N194 PolarHBondContact O-N 3.19Å; S191-N194 PolarHBondContact OG-N 2.88Å; S191-L195 WeakPolarHBondContact O-CG 3.48Å; S191-L195 PolarHBondContact O-N 2.94Å
192K86.3Confident85.3Confident29 Ų2947.2 Ų47.213%0.12626%0.263CS..Hα-helixtrans-48-46.8175.5-65.3179.2174-175.70112.3I167 D168 L171 N194 L195 L196 E589I167-K192 HydrophobicContact CG2-CB 4.07Å; I167-K192 HydrophobicContact CG2-CG 4.03Å; D168-K192 WeakPolarHBondContact OD1-CD 3.33Å; D168-K192 WeakPolarHBondContact OD1-CE 3.44Å; D168-K192 IonicContact OD1-NZ 2.92Å; D168-K192 PolarHBondContact OD1-NZ 3.32Å; L171-K192 HydrophobicContact CD1-CG 3.95Å; L171-K192 HydrophobicContact CD2-CD 4.39Å; L171-K192 HydrophobicContact CD2-CG 3.94Å; K192-N194 VanDerWaalsContact C-N 3.34Å; K192-N194 PolarHBondContact O-N 2.95Å; K192-L195 PolarHBondContact O-N 3.38Å; K192-L196 PolarHBondContact O-N 2.83Å; K192-E589 IonicContact NZ-OE1 2.65Å; K192-E589 PolarHBondContact NZ-OE1 3.07Å
193A82.9Confident85.6Confident59 Ų5941.3 Ų41.349%0.48824%0.239SC..Hα-helixtrans-68.5-25.7-18000000114S191 K197S191-A193 PolarHBondContact O-N 3.4Å; A193-K197 VanDerWaalsContact O-CE 3.3Å; A193-K197 WeakPolarHBondContact O-CE 3.37Å
194N86.9Confident85.3Confident14 Ų1446.6 Ų46.68%0.07528%0.278CS..Hα-helixtrans-84.7-41172.7-16163.3000112.3E189 S191 K192 L196 K197 H198E189-N194 HydrophobicContact CB-CB 4.24Å; E189-N194 HydrophobicContact CG-CB 4.22Å; E189-N194 WeakPolarHBondContact O-CB 3.38Å; E189-N194 PolarHBondContact O-ND2 3.07Å; S191-N194 PolarHBondContact O-N 3.19Å; S191-N194 PolarHBondContact OG-N 2.88Å; K192-N194 VanDerWaalsContact C-N 3.34Å; K192-N194 PolarHBondContact O-N 2.95Å; N194-L196 PolarHBondContact O-N 3.37Å; N194-K197 VanDerWaalsContact O-CB 3.31Å; N194-K197 WeakPolarHBondContact O-CB 3.5Å; N194-K197 PolarHBondContact O-N 2.86Å; N194-K197 WeakPolarHBondContact OD1-CD 3.48Å; N194-K197 WeakPolarHBondContact OD1-CE 3.26Å; N194-K197 PolarHBondContact OD1-NZ 3.43Å; N194-H198 PolarHBondContact O-CD2 3.27Å
195L89.3Confident85Confident0 Ų047 Ų470%028%0.281CS..Hα-helixtrans-55.7-37.7173.8-68.7170.9000111.7I167 L171 L174 I175 A178 C190 S191 K192 K197 H198 L199 L231I167-L195 HydrophobicContact CD1-CB 4.45Å; L171-L195 HydrophobicContact CD1-CD1 3.46Å; L171-L195 VanDerWaalsContact CD1-CD1 3.46Å; L174-L195 HydrophobicContact CB-CD1 4.23Å; I175-L195 HydrophobicContact CG1-CD1 4.24Å; A178-L195 HydrophobicContact CB-CD2 3.82Å; C190-L195 WeakPolarHBondContact O-CD1 3.37Å; S191-L195 WeakPolarHBondContact O-CG 3.48Å; S191-L195 PolarHBondContact O-N 2.94Å; K192-L195 PolarHBondContact O-N 3.38Å; L195-K197 PolarHBondContact O-N 2.98Å; L195-K197 VanDerWaalsContact O-N 3.13Å; L195-H198 CarbonylContact O-C 3.56Å; L195-H198 PolarHBondContact O-N 3.13Å; L195-L199 PolarHBondContact O-N 3.07Å; L195-L231 HydrophobicContact CD2-CD1 3.98Å; L195-L231 HydrophobicContact CD2-CD2 4.31Å
196L88.7Confident84.7Confident37 Ų3748.5 Ų48.519%0.19429%0.292CS..Hα-helixtrans-58.2-22.7174.2-176.459.6000114.7K163 I167 K192 N194K163-L196 HydrophobicContact CB-CD1 3.46Å; K163-L196 VanDerWaalsContact CB-CD1 3.46Å; K163-L196 HydrophobicContact CD-CD1 3.99Å; K163-L196 HydrophobicContact CG-CD1 4.39Å; I167-L196 HydrophobicContact CD1-CB 3.8Å; I167-L196 HydrophobicContact CD1-CD1 4.02Å; K192-L196 PolarHBondContact O-N 2.83Å; N194-L196 PolarHBondContact O-N 3.37Å
197K85.4Confident84.6Confident69 Ų6946.3 Ų46.330%0.328%0.283SS..Hα-helixtrans-83.4-19.7176.2-51173.7-159.8151.50113A193 N194 L195 L235 L236A193-K197 VanDerWaalsContact O-CE 3.3Å; A193-K197 WeakPolarHBondContact O-CE 3.37Å; N194-K197 VanDerWaalsContact O-CB 3.31Å; N194-K197 WeakPolarHBondContact O-CB 3.5Å; N194-K197 PolarHBondContact O-N 2.86Å; N194-K197 WeakPolarHBondContact OD1-CD 3.48Å; N194-K197 WeakPolarHBondContact OD1-CE 3.26Å; N194-K197 PolarHBondContact OD1-NZ 3.43Å; L195-K197 PolarHBondContact O-N 2.98Å; L195-K197 VanDerWaalsContact O-N 3.13Å; K197-L235 HydrophobicContact CB-CD2 3.84Å; K197-L235 HydrophobicContact CD-CD2 4.17Å; K197-L236 WeakPolarHBondContact O-CB 3.4Å; K197-L236 WeakPolarHBondContact O-CG 3.36Å; K197-L236 PolarHBondContact O-N 3.32Å
198H88.5Confident84.6Confident6 Ų649.6 Ų49.63%0.02831%0.307CS..Hα-helixtrans-106.2-19-179.9-68.1-85.6000112.4I187 N194 L195 V200 L231 S232 L235I187-H198 HydrophobicContact CD1-CB 3.81Å; N194-H198 PolarHBondContact O-CD2 3.27Å; L195-H198 CarbonylContact O-C 3.56Å; L195-H198 PolarHBondContact O-N 3.13Å; H198-V200 PolarHBondContact O-N 2.89Å; H198-V200 VanDerWaalsContact O-N 3.16Å; H198-L231 HydrophobicContact CB-CD2 4.13Å; H198-L231 CarbonylContact O-C 3.55Å; H198-L231 WeakPolarHBondContact O-CA 3.31Å; H198-S232 PolarHBondContact ND1-O 3.34Å; H198-S232 PolarHBondContact O-N 2.94Å; H198-S232 PolarHBondContact O-OG 3.18Å; H198-L235 WeakPolarHBondContact NE2-CD2 3.43Å
199L92.2Very high85Confident0 Ų043.6 Ų43.60%027%0.27CS..EExtended strand (participates in β ladder)trans-71.5110.8-178.9-178.359.3000112.6K163 F166 I167 L174 L195 L201 A229 L231K163-L199 HydrophobicContact CB-CD2 3.97Å; K163-L199 HydrophobicContact CD-CG 4.48Å; K163-L199 WeakPolarHBondContact CE-O 3.45Å; K163-L199 HydrophobicContact CG-CD2 4Å; K163-L199 HydrophobicContact CG-CG 4.37Å; K163-L199 PolarHBondContact NZ-O 2.87Å; K163-L199 VanDerWaalsContact NZ-O 3.11Å; F166-L199 HydrophobicContact CD1-CD1 4.49Å; F166-L199 HydrophobicContact CD1-CD2 3.88Å; F166-L199 HydrophobicContact CE1-CD1 4.43Å; I167-L199 HydrophobicContact CD1-CD2 3.88Å; I167-L199 HydrophobicContact CG1-CD2 3.68Å; L174-L199 HydrophobicContact CD2-CD1 4.47Å; L195-L199 PolarHBondContact O-N 3.07Å; L199-L201 HydrophobicContact CD1-CD2 4.31Å; L199-L201 HydrophobicContact CG-CD2 4.45Å; L199-A229 HydrophobicContact CD1-CB 4.09Å; L199-L231 HydrophobicContact CB-CD2 4.25Å; L199-L231 HydrophobicContact CD1-CD2 4.48Å
200V91.2Very high84.9Confident38 Ų3841.1 Ų41.123%0.2327%0.265CS..EExtended strand (participates in β ladder)trans-96131.7170-166.20000108.7H198 E202 A229 K230 L236H198-V200 PolarHBondContact O-N 2.89Å; H198-V200 VanDerWaalsContact O-N 3.16Å; V200-E202 HydrophobicContact CG1-CG 4.17Å; V200-A229 WeakPolarHBondContact O-CA 3.46Å; V200-K230 PolarHBondContact N-O 3.45Å; V200-K230 PolarHBondContact O-N 3.39Å; V200-L236 HydrophobicContact CG2-CD1 4.47Å; V200-L236 HydrophobicContact CG2-CD2 4.14Å
201L92.2Very high84.5Confident7 Ų743 Ų434%0.03728%0.275CS..EExtended strand (participates in β ladder)trans-110.2110.4165.9-62.2179.3000107.6I130 L162 K163 L199 F209 L227 R228 A229I130-L201 HydrophobicContact CD1-CD2 4.48Å; I130-L201 HydrophobicContact CG2-CD2 4.06Å; L162-L201 HydrophobicContact CD2-CD1 4.25Å; L162-L201 HydrophobicContact CG-CD1 4.39Å; K163-L201 HydrophobicContact CG-CD1 3.66Å; K163-L201 HydrophobicContact CG-CG 4.12Å; L199-L201 HydrophobicContact CD1-CD2 4.31Å; L199-L201 HydrophobicContact CG-CD2 4.45Å; L201-F209 HydrophobicContact CB-CB 3.9Å; L201-F209 HydrophobicContact CB-CG 4.3Å; L201-L227 HydrophobicContact CB-CD1 4.29Å; L201-L227 HydrophobicContact CD1-CD1 4.11Å; L201-R228 WeakPolarHBondContact CA-O 3.4Å; L201-A229 HydrophobicContact CD2-CB 3.92Å
202E89.7Confident84.4Confident80 Ų8044.7 Ų44.737%0.37428%0.283SS..EExtended strand (participates in β ladder)trans-88.3142.1174.3-64.1174.6172.600109.5V200 L227 R228 K230V200-E202 HydrophobicContact CG1-CG 4.17Å; E202-L227 CarbonylContact O-C 3.56Å; E202-L227 VanDerWaalsContact O-CA 3.32Å; E202-L227 WeakPolarHBondContact O-CA 3.42Å; E202-R228 HydrophobicContact CB-CB 4.33Å; E202-R228 PolarHBondContact N-O 2.87Å; E202-R228 PolarHBondContact O-N 2.98Å; E202-K230 IonicContact OE1-NZ 2.74Å; E202-K230 PolarHBondContact OE1-NZ 2.82Å; E202-K230 IonicContact OE2-NZ 3.21Å; E202-K230 PolarHBondContact OE2-NZ 2.78Å
203S87.3Confident83.9Confident34 Ų3446.7 Ų46.724%0.23830%0.3CS..EExtended strand (participates in β ladder)trans-122.6147.4173.5-171.40000110G205S203-G205 PolarHBondContact O-N 3.11Å; S203-G205 PolarHBondContact OG-N 3.39Å
204S76.2Confident83.7Confident129 Ų12945.8 Ų45.890%0.90229%0.289SS*.SBendtrans-71-10.5170.4-50.40000113.3
205G72.6Confident83.4Confident41 Ų4147.3 Ų47.342%0.42330%0.297SS..SBendtrans-96.4-177.5175.700000113.5S203 H207S203-G205 PolarHBondContact O-N 3.11Å; S203-G205 PolarHBondContact OG-N 3.39Å; G205-H207 PolarHBondContact O-N 2.63Å
206S72.8Confident83.1Confident126 Ų12647.3 Ų47.388%0.88130%0.297SS*.SBendtrans-80.66.4178.649.50000114.7
207H80.4Confident82.8Confident55 Ų5549.4 Ų49.426%0.25530%0.302SS..  trans-84.6131.2-176.2-45-91.9000110.8G205 F209 L219 L221G205-H207 PolarHBondContact O-N 2.63Å; H207-F209 HydrophobicContact CB-CE2 4.03Å; H207-L219 PolarHBondContact CE1-O 2.77Å; H207-L219 PolarHBondContact ND1-O 2.67Å; H207-L221 HydrophobicContact CB-CD2 3.84Å
208S82.4Confident82.6Confident74 Ų7448.9 Ų48.952%0.51731%0.31SS..  trans-101.7126.8179.8-1700000112.1A210S208-A210 WeakPolarHBondContact OG-CB 3.39Å
209F87.9Confident82.4Confident4 Ų450 Ų502%0.01832%0.316CS..  trans-103.528174.9-61.9-99.5000111.5F128 V159 L162 K163 L201 H207 L216 L219 L221 L227F128-F209 HydrophobicContact CE1-CE1 4.2Å; F128-F209 HydrophobicContact CE1-CZ 4.45Å; V159-F209 HydrophobicContact CG1-CB 3.99Å; V159-F209 HydrophobicContact CG1-CD1 4.22Å; V159-F209 HydrophobicContact CG2-CD1 3.98Å; L162-F209 HydrophobicContact CD2-CD1 4.23Å; L162-F209 HydrophobicContact CD2-CE1 4.07Å; K163-F209 VanDerWaalsContact CE-O 3.25Å; K163-F209 WeakPolarHBondContact CE-O 3.48Å; K163-F209 PolarHBondContact NZ-O 2.91Å; L201-F209 HydrophobicContact CB-CB 3.9Å; L201-F209 HydrophobicContact CB-CG 4.3Å; H207-F209 HydrophobicContact CB-CE2 4.03Å; F209-L216 HydrophobicContact CE1-CD2 4.07Å; F209-L219 HydrophobicContact CD1-CD1 4.17Å; F209-L219 HydrophobicContact CE1-CD1 3.95Å; F209-L219 HydrophobicContact CZ-CD1 4.22Å; F209-L221 HydrophobicContact CE1-CD1 4.02Å; F209-L221 HydrophobicContact CE2-CD2 4.43Å; F209-L221 HydrophobicContact CZ-CD1 3.88Å; F209-L221 HydrophobicContact CZ-CD2 3.77Å; F209-L221 HydrophobicContact CZ-CG 4.5Å; F209-L227 HydrophobicContact CD1-CD1 4.39Å; F209-L227 HydrophobicContact CD2-CD2 4.12Å; F209-L227 HydrophobicContact CE1-CD1 4.07Å; F209-L227 HydrophobicContact CE2-CD1 4.48Å; F209-L227 HydrophobicContact CE2-CD2 3.59Å; F209-L227 HydrophobicContact CZ-CD1 4.12Å; F209-L227 HydrophobicContact CZ-CD2 3.84Å
210A80.9Confident82Confident43 Ų4356.1 Ų56.136%0.35535%0.345SS..  trans-86.9-19.6-176.700000114.3S208 N238S208-A210 WeakPolarHBondContact OG-CB 3.39Å; A210-N238 PolarHBondContact O-ND2 2.68Å
211D77.2Confident81.8Confident46 Ų4654.4 Ų54.425%0.24633%0.334CS..  trans-103.2118.4171.6167.234.1000109.7V159 S213 T214V159-D211 WeakPolarHBondContact CB-O 3.45Å; D211-S213 VanDerWaalsContact C-N 3.28Å; D211-S213 VanDerWaalsContact CG-OG 3.26Å; D211-S213 PolarHBondContact O-N 3.11Å; D211-S213 WeakPolarHBondContact OD1-CB 3.48Å; D211-S213 PolarHBondContact OD1-N 2.73Å; D211-S213 PolarHBondContact OD1-OG 2.85Å; D211-S213 PolarHBondContact OD2-OG 2.91Å; D211-T214 WeakPolarHBondContact OD2-CB 3.47Å; D211-T214 PolarHBondContact OD2-N 3.27Å; D211-T214 PolarHBondContact OD2-OG1 2.84Å
212N80.5Confident81.5Confident48 Ų4857.4 Ų57.426%0.25735%0.354SS..THydrogen-bonded Turntrans-74.7-16.2179.5-68.40.9000112.7T158 G160 K163T158-N212 WeakPolarHBondContact CB-O 3.35Å; G160-N212 WeakPolarHBondContact CA-O 3.3Å; G160-N212 PolarHBondContact N-O 2.86Å; K163-N212 WeakPolarHBondContact CD-OD1 3.33Å; K163-N212 PolarHBondContact NZ-OD1 2.86Å
213S75.9Confident81.3Confident70 Ų7059 Ų5949%0.4936%0.36SS..THydrogen-bonded Turntrans-85.7-18.7178.770.30000114D211 L215D211-S213 VanDerWaalsContact C-N 3.28Å; D211-S213 VanDerWaalsContact CG-OG 3.26Å; D211-S213 PolarHBondContact O-N 3.11Å; D211-S213 WeakPolarHBondContact OD1-CB 3.48Å; D211-S213 PolarHBondContact OD1-N 2.73Å; D211-S213 PolarHBondContact OD1-OG 2.85Å; D211-S213 PolarHBondContact OD2-OG 2.91Å; S213-L215 PolarHBondContact O-N 3.16Å
214T79.8Confident81.4Confident40 Ų4061.2 Ų61.225%0.24537%0.374CS..SBendtrans-63.5131.7176.9-77.40000111.5T158 V159 D211 L219T158-T214 CarbonylContact C-O 3.54Å; T158-T214 WeakPolarHBondContact CA-O 3.29Å; V159-T214 HydrophobicContact CG2-CG2 4.48Å; V159-T214 WeakPolarHBondContact CG2-O 3.49Å; V159-T214 PolarHBondContact N-O 3.01Å; D211-T214 WeakPolarHBondContact OD2-CB 3.47Å; D211-T214 PolarHBondContact OD2-N 3.27Å; D211-T214 PolarHBondContact OD2-OG1 2.84Å; T214-L219 HydrophobicContact CG2-CD1 4.24Å; T214-L219 HydrophobicContact CG2-CD2 3.83Å; T214-L219 HydrophobicContact CG2-CG 3.71Å
215L81.4Confident82.1Confident46 Ų4655.4 Ų55.424%0.24133%0.333CS..BIsolated β-bridgetrans-76.6137.4173.9-63.6157.3000110.5T156 E157 T158 S213 R217 A218T156-L215 WeakPolarHBondContact O-CD2 3.22Å; E157-L215 CarbonylContact O-C 3.6Å; E157-L215 WeakPolarHBondContact O-CA 3.38Å; T158-L215 HydrophobicContact CG2-CD2 3.97Å; S213-L215 PolarHBondContact O-N 3.16Å; L215-R217 VanDerWaalsContact C-N 3.29Å; L215-R217 HydrophobicContact CB-CG 3.95Å; L215-R217 PolarHBondContact O-N 3.23Å; L215-A218 HydrophobicContact CB-CB 4.44Å; L215-A218 WeakPolarHBondContact O-CB 3.24Å; L215-A218 PolarHBondContact O-N 2.7Å
216L82.4Confident83Confident0 Ų059 Ų590%034%0.337CS..G310 helixtrans-61.5-35.5-176.5-65.5173.9000112.6L126 F128 F153 D155 E157 V159 L162 F209 A218 L219 L221L126-L216 HydrophobicContact CD1-CB 4.14Å; F128-L216 HydrophobicContact CE2-CD1 4.11Å; F128-L216 HydrophobicContact CZ-CD1 4.09Å; F128-L216 HydrophobicContact CZ-CD2 4.21Å; F153-L216 HydrophobicContact CD1-CD1 3.64Å; F153-L216 HydrophobicContact CE1-CD1 4.06Å; D155-L216 HydrophobicContact CB-CB 4.35Å; E157-L216 WeakPolarHBondContact O-CG 3.45Å; E157-L216 PolarHBondContact O-N 2.91Å; V159-L216 HydrophobicContact CG2-CD2 3.8Å; L162-L216 HydrophobicContact CB-CD1 4.36Å; L162-L216 HydrophobicContact CD2-CD1 4.34Å; L162-L216 HydrophobicContact CD2-CD2 3.86Å; F209-L216 HydrophobicContact CE1-CD2 4.07Å; L216-A218 VanDerWaalsContact C-N 3.26Å; L216-A218 PolarHBondContact O-N 2.78Å; L216-L219 HydrophobicContact CD2-CD1 4.36Å; L216-L219 WeakPolarHBondContact O-CB 3.41Å; L216-L219 PolarHBondContact O-N 3.45Å; L216-L219 VanDerWaalsContact O-N 3.15Å; L216-L221 HydrophobicContact CB-CD1 4.38Å; L216-L221 HydrophobicContact CD2-CD1 4.03Å
217R82.9Confident84Confident82 Ų8253.3 Ų53.331%0.30930%0.297SS..G310 helixtrans-56.1-34.7169.755-172159.4122.8-4.2113.7D155 L215 L219 H220D155-R217 HydrophobicContact CB-CB 4.24Å; D155-R217 VanDerWaalsContact O-CB 3.24Å; D155-R217 WeakPolarHBondContact O-CB 3.35Å; D155-R217 VanDerWaalsContact O-CG 3.24Å; D155-R217 WeakPolarHBondContact O-CG 3.27Å; D155-R217 PolarHBondContact O-N 3.03Å; D155-R217 WeakPolarHBondContact OD2-CB 3.32Å; L215-R217 VanDerWaalsContact C-N 3.29Å; L215-R217 HydrophobicContact CB-CG 3.95Å; L215-R217 PolarHBondContact O-N 3.23Å; R217-L219 VanDerWaalsContact C-N 3.33Å; R217-H220 PolarHBondContact O-N 3.29Å
218A79.7Confident84.6Confident57 Ų5755.6 Ų55.647%0.47130%0.303SS..G310 helixtrans-74.3-23.6179.700000112.8L215 L216 H220L215-A218 HydrophobicContact CB-CB 4.44Å; L215-A218 WeakPolarHBondContact O-CB 3.24Å; L215-A218 PolarHBondContact O-N 2.7Å; L216-A218 VanDerWaalsContact C-N 3.26Å; L216-A218 PolarHBondContact O-N 2.78Å; A218-H220 PolarHBondContact O-CE1 3.2Å; A218-H220 PolarHBondContact O-N 3.4Å; A218-H220 PolarHBondContact O-ND1 2.83Å
219L84.4Confident85.1Confident30 Ų3052.1 Ų52.116%0.15728%0.279CS..G310 helixtrans-75-8.1173-66.9176.7000113.4V159 H207 F209 T214 L216 R217 L221V159-L219 HydrophobicContact CG2-CD1 3.86Å; H207-L219 PolarHBondContact CE1-O 2.77Å; H207-L219 PolarHBondContact ND1-O 2.67Å; F209-L219 HydrophobicContact CD1-CD1 4.17Å; F209-L219 HydrophobicContact CE1-CD1 3.95Å; F209-L219 HydrophobicContact CZ-CD1 4.22Å; T214-L219 HydrophobicContact CG2-CD1 4.24Å; T214-L219 HydrophobicContact CG2-CD2 3.83Å; T214-L219 HydrophobicContact CG2-CG 3.71Å; L216-L219 HydrophobicContact CD2-CD1 4.36Å; L216-L219 WeakPolarHBondContact O-CB 3.41Å; L216-L219 PolarHBondContact O-N 3.45Å; L216-L219 VanDerWaalsContact O-N 3.15Å; R217-L219 VanDerWaalsContact C-N 3.33Å; L219-L221 VanDerWaalsContact C-N 3.29Å; L219-L221 HydrophobicContact CB-CD1 4.26Å; L219-L221 HydrophobicContact CB-CD2 4.12Å; L219-L221 HydrophobicContact CB-CG 3.81Å; L219-L221 HydrophobicContact CD1-CD1 4.33Å; L219-L221 PolarHBondContact O-N 3.13Å
220H83.7Confident85.3Confident129 Ų12955.3 Ų55.360%0.59729%0.293SS*.THydrogen-bonded Turntrans52.544-179.5-62.780.7000113.1R217 A218R217-H220 PolarHBondContact O-N 3.29Å; A218-H220 PolarHBondContact O-CE1 3.2Å; A218-H220 PolarHBondContact O-N 3.4Å; A218-H220 PolarHBondContact O-ND1 2.83Å
221L87.3Confident85.7Confident1 Ų154.1 Ų54.11%0.00528%0.281CS..  trans-68.4147.3-177.1-63.3171.4000112.7R124 L126 F128 H207 F209 L216 L219 I225R124-L221 PolarHBondContact NH1-O 3.23Å; R124-L221 PolarHBondContact NH2-O 3.1Å; L126-L221 HydrophobicContact CD1-CB 4.03Å; L126-L221 HydrophobicContact CD1-CD1 3.91Å; F128-L221 HydrophobicContact CE1-CD1 4.29Å; F128-L221 HydrophobicContact CZ-CD1 3.97Å; H207-L221 HydrophobicContact CB-CD2 3.84Å; F209-L221 HydrophobicContact CE1-CD1 4.02Å; F209-L221 HydrophobicContact CE2-CD2 4.43Å; F209-L221 HydrophobicContact CZ-CD1 3.88Å; F209-L221 HydrophobicContact CZ-CD2 3.77Å; F209-L221 HydrophobicContact CZ-CG 4.5Å; L216-L221 HydrophobicContact CB-CD1 4.38Å; L216-L221 HydrophobicContact CD2-CD1 4.03Å; L219-L221 VanDerWaalsContact C-N 3.29Å; L219-L221 HydrophobicContact CB-CD1 4.26Å; L219-L221 HydrophobicContact CB-CD2 4.12Å; L219-L221 HydrophobicContact CB-CG 3.81Å; L219-L221 HydrophobicContact CD1-CD1 4.33Å; L219-L221 PolarHBondContact O-N 3.13Å; L221-I225 HydrophobicContact CB-CD1 4.26Å; L221-I225 HydrophobicContact CB-CG1 4.1Å; L221-I225 HydrophobicContact CD1-CG1 4.43Å; L221-I225 HydrophobicContact CD2-CG1 4.41Å
222P87Confident86.1Confident71 Ų7153 Ų5346%0.46128%0.276SS..  trans-70.5163.6168.832.1-35.8000111.4C224 I225P222-C224 PolarHBondContact O-N 2.65Å; P222-C224 VanDerWaalsContact O-N 3.11Å; P222-I225 HydrophobicContact CG-CG1 4.35Å; P222-I225 WeakPolarHBondContact O-CD1 3.49Å
223K84Confident86Confident113 Ų11353.4 Ų53.449%0.49128%0.281SS..SBendtrans-60.5-21.3-177.2-67.3-171.1-178.6-175.70115.3E22 N127E22-K223 WeakPolarHBondContact OE1-CE 3.41Å; E22-K223 IonicContact OE1-NZ 2.67Å; E22-K223 PolarHBondContact OE1-NZ 2.92Å; E22-K223 IonicContact OE2-NZ 2.69Å; E22-K223 PolarHBondContact OE2-NZ 3.02Å; N127-K223 PolarHBondContact N-O 3.36Å
224C89.7Confident86Confident80 Ų8055 Ų5554%0.54128%0.284SS..EExtended strand (participates in β ladder)trans-129.9126.2176.2179.90000109.4N127 P222N127-C224 CarbonylContact O-C 3.57Å; N127-C224 WeakPolarHBondContact O-CA 3.48Å; P222-C224 PolarHBondContact O-N 2.65Å; P222-C224 VanDerWaalsContact O-N 3.11Å
225I91.1Very high85.3Confident7 Ų757 Ų574%0.03629%0.293CS..EExtended strand (participates in β ladder)trans-127.6117.9-176.7-47.186.4000109.2L126 N127 F128 E129 L221 P222 L227L126-I225 HydrophobicContact CB-CD1 3.72Å; L126-I225 HydrophobicContact CD1-CD1 4.29Å; L126-I225 HydrophobicContact CD2-CD1 4.38Å; L126-I225 HydrophobicContact CG-CD1 4.35Å; N127-I225 PolarHBondContact O-N 3.46Å; F128-I225 WeakPolarHBondContact CA-O 3.34Å; F128-I225 HydrophobicContact CD1-CB 3.86Å; F128-I225 HydrophobicContact CD1-CD1 4.16Å; F128-I225 HydrophobicContact CD1-CG1 4.39Å; F128-I225 HydrophobicContact CD1-CG2 4.38Å; F128-I225 HydrophobicContact CE1-CB 3.89Å; F128-I225 HydrophobicContact CE1-CD1 3.81Å; F128-I225 HydrophobicContact CE1-CG1 4Å; F128-I225 HydrophobicContact CE1-CG2 4.24Å; F128-I225 HydrophobicContact CE2-CD1 4.29Å; F128-I225 HydrophobicContact CZ-CD1 3.88Å; F128-I225 HydrophobicContact CZ-CG1 4.48Å; E129-I225 PolarHBondContact N-O 3.22Å; L221-I225 HydrophobicContact CB-CD1 4.26Å; L221-I225 HydrophobicContact CB-CG1 4.1Å; L221-I225 HydrophobicContact CD1-CG1 4.43Å; L221-I225 HydrophobicContact CD2-CG1 4.41Å; P222-I225 HydrophobicContact CG-CG1 4.35Å; P222-I225 WeakPolarHBondContact O-CD1 3.49Å; I225-L227 HydrophobicContact CG2-CD2 3.65Å; I225-L227 HydrophobicContact CG2-CG 3.88Å
226K92.1Very high84.5Confident118 Ų11856.2 Ų56.251%0.51329%0.289SS..EExtended strand (participates in β ladder)trans-85.5125.8163.7-70.2174.7-176.5-83.60109.2E129E129-K226 HydrophobicContact CB-CG 4.18Å; E129-K226 HydrophobicContact CG-CG 4.45Å; E129-K226 CarbonylContact O-C 3.27Å; E129-K226 WeakPolarHBondContact O-CA 3.31Å; E129-K226 IonicContact OE1-NZ 2.88Å; E129-K226 PolarHBondContact OE1-NZ 3.25Å; E129-K226 WeakPolarHBondContact OE2-CE 2.18Å; E129-K226 IonicContact OE2-NZ 2.72Å; E129-K226 PolarHBondContact OE2-NZ 3.44Å
227L94.3Very high83Confident6 Ų661.5 Ų61.53%0.03132%0.323CS..EExtended strand (participates in β ladder)trans-123.3159.9174.8-61179.6000110F128 E129 I130 D131 L162 L201 E202 F209 I225F128-L227 HydrophobicContact CD1-CD1 3.64Å; F128-L227 HydrophobicContact CD1-CG 4.23Å; F128-L227 HydrophobicContact CE1-CD1 3.84Å; E129-L227 PolarHBondContact O-N 3.38Å; I130-L227 WeakPolarHBondContact CA-O 2.98Å; I130-L227 HydrophobicContact CD1-CD1 4.32Å; I130-L227 HydrophobicContact CG1-CB 4.26Å; I130-L227 HydrophobicContact CG2-CB 4.45Å; D131-L227 PolarHBondContact N-O 3.48Å; L162-L227 HydrophobicContact CD2-CD1 4.42Å; L201-L227 HydrophobicContact CB-CD1 4.29Å; L201-L227 HydrophobicContact CD1-CD1 4.11Å; E202-L227 CarbonylContact O-C 3.56Å; E202-L227 VanDerWaalsContact O-CA 3.32Å; E202-L227 WeakPolarHBondContact O-CA 3.42Å; F209-L227 HydrophobicContact CD1-CD1 4.39Å; F209-L227 HydrophobicContact CD2-CD2 4.12Å; F209-L227 HydrophobicContact CE1-CD1 4.07Å; F209-L227 HydrophobicContact CE2-CD1 4.48Å; F209-L227 HydrophobicContact CE2-CD2 3.59Å; F209-L227 HydrophobicContact CZ-CD1 4.12Å; F209-L227 HydrophobicContact CZ-CD2 3.84Å; I225-L227 HydrophobicContact CG2-CD2 3.65Å; I225-L227 HydrophobicContact CG2-CG 3.88Å
228R91.8Very high81.3Confident103 Ų10360.6 Ų60.639%0.38933%0.325SS..EExtended strand (participates in β ladder)trans-118.7125.3170.6-178.4-173.5-70.6-144.2-1.6109.4D131 E133 L201 E202D131-R228 CarbonylContact O-C 3.45Å; D131-R228 WeakPolarHBondContact O-CA 3.43Å; E133-R228 HydrophobicContact CG-CG 4.42Å; E133-R228 IonicContact OE1-CZ 2.67Å; E133-R228 IonicContact OE1-NE 2.64Å; E133-R228 IonicContact OE1-NH1 2.62Å; E133-R228 PolarHBondContact OE1-NH1 3.27Å; E133-R228 IonicContact OE1-NH2 2.76Å; E133-R228 PolarHBondContact OE1-NH2 3.44Å; E133-R228 VanDerWaalsContact OE2-CD 3.3Å; E133-R228 WeakPolarHBondContact OE2-CD 3.12Å; E133-R228 IonicContact OE2-CZ 2.78Å; E133-R228 IonicContact OE2-NE 3.19Å; E133-R228 IonicContact OE2-NH1 2.75Å; E133-R228 PolarHBondContact OE2-NH1 3.11Å; L201-R228 WeakPolarHBondContact CA-O 3.4Å; E202-R228 HydrophobicContact CB-CB 4.33Å; E202-R228 PolarHBondContact N-O 2.87Å; E202-R228 PolarHBondContact O-N 2.98Å
229A94.2Very high79.5Confident1 Ų159.3 Ų59.31%0.00831%0.312CS..EExtended strand (participates in β ladder)trans-92134.917700000110.9I130 D131 L132 F166 L199 V200 L201I130-A229 HydrophobicContact CG2-CB 3.68Å; D131-A229 PolarHBondContact O-N 2.89Å; L132-A229 HydrophobicContact CB-CB 4.46Å; L132-A229 HydrophobicContact CD1-CB 3.7Å; F166-A229 HydrophobicContact CD1-CB 4.45Å; F166-A229 HydrophobicContact CE1-CB 3.57Å; F166-A229 HydrophobicContact CZ-CB 3.68Å; L199-A229 HydrophobicContact CD1-CB 4.09Å; V200-A229 WeakPolarHBondContact O-CA 3.46Å; L201-A229 HydrophobicContact CD2-CB 3.92Å
230K90.2Very high76.9Confident70 Ų7061.9 Ų61.930%0.30433%0.326SS..EExtended strand (participates in β ladder)trans-143.7149.2172.9-70.1175.6179.8150.80110E133 V200 E202E133-K230 WeakPolarHBondContact OE2-CE 3.42Å; V200-K230 PolarHBondContact N-O 3.45Å; V200-K230 PolarHBondContact O-N 3.39Å; E202-K230 IonicContact OE1-NZ 2.74Å; E202-K230 PolarHBondContact OE1-NZ 2.82Å; E202-K230 IonicContact OE2-NZ 3.21Å; E202-K230 PolarHBondContact OE2-NZ 2.78Å
231L89.9Confident74.6Confident19 Ų1961.9 Ų61.910%0.09932%0.322CS..EExtended strand (participates in β ladder)trans-92.6123.2166.4-67.1-180000109.7L174 L177 A178 L183 I187 L195 H198 L199L174-L231 HydrophobicContact CD2-CD1 4.29Å; L174-L231 HydrophobicContact CD2-CD2 4.05Å; L174-L231 HydrophobicContact CD2-CG 4.05Å; L174-L231 WeakPolarHBondContact O-CD1 3.5Å; L177-L231 HydrophobicContact CB-CD1 3.87Å; A178-L231 HydrophobicContact CB-CD1 3.97Å; L183-L231 HydrophobicContact CD2-CB 3.61Å; L183-L231 HydrophobicContact CD2-CD1 4.02Å; L183-L231 HydrophobicContact CD2-CG 4.48Å; I187-L231 HydrophobicContact CD1-CB 4.31Å; I187-L231 HydrophobicContact CD1-CD1 4.31Å; L195-L231 HydrophobicContact CD2-CD1 3.98Å; L195-L231 HydrophobicContact CD2-CD2 4.31Å; H198-L231 HydrophobicContact CB-CD2 4.13Å; H198-L231 CarbonylContact O-C 3.55Å; H198-L231 WeakPolarHBondContact O-CA 3.31Å; L199-L231 HydrophobicContact CB-CD2 4.25Å; L199-L231 HydrophobicContact CD1-CD2 4.48Å
232S85.1Confident71.8Confident21 Ų2167.1 Ų67.115%0.14736%0.358CS..  trans-77135.7174.961.40000110.9H198 D234H198-S232 PolarHBondContact ND1-O 3.34Å; H198-S232 PolarHBondContact O-N 2.94Å; H198-S232 PolarHBondContact O-OG 3.18Å; S232-D234 WeakPolarHBondContact CB-O 3.36Å; S232-D234 PolarHBondContact O-N 3.25Å; S232-D234 PolarHBondContact OG-O 3.08Å
233P79.2Confident68.9Low57 Ų5770 Ų7037%0.3737%0.37SS..SBendtrans-63.6-30175.623.8-33.1000113.2L183 K186L183-P233 HydrophobicContact CD1-CB 3.98Å; K186-P233 WeakPolarHBondContact CB-O 3.45Å; K186-P233 HydrophobicContact CD-CB 3.45Å; K186-P233 VanDerWaalsContact CD-CB 3.45Å; K186-P233 WeakPolarHBondContact CD-O 3.38Å
234D75.2Confident66.1Low104 Ų10472.9 Ų72.956%0.55639%0.385SS*.SBendtrans-106.2149-179.4-47.1-36.7000109.4K186 S232 L236K186-D234 IonicContact NZ-OD1 3.08Å; K186-D234 PolarHBondContact NZ-OD1 3.09Å; K186-D234 VanDerWaalsContact NZ-OD1 3.08Å; S232-D234 WeakPolarHBondContact CB-O 3.36Å; S232-D234 PolarHBondContact O-N 3.25Å; S232-D234 PolarHBondContact OG-O 3.08Å; D234-L236 PolarHBondContact O-N 3.2Å
235L65.3Low63.4Low81 Ų8178.3 Ų78.342%0.42440%0.403SS..  trans-63.3131.8179.7-74.2167.4000111.1K197 H198K197-L235 HydrophobicContact CB-CD2 3.84Å; K197-L235 HydrophobicContact CD-CD2 4.17Å; H198-L235 WeakPolarHBondContact NE2-CD2 3.43Å
236L65Low60.5Low31 Ų3184.8 Ų84.816%0.16244%0.437CS..  trans-60.2139.6178.6-74.6172.5000111.6K197 V200 D234 N238 S239K197-L236 WeakPolarHBondContact O-CB 3.4Å; K197-L236 WeakPolarHBondContact O-CG 3.36Å; K197-L236 PolarHBondContact O-N 3.32Å; V200-L236 HydrophobicContact CG2-CD1 4.47Å; V200-L236 HydrophobicContact CG2-CD2 4.14Å; D234-L236 PolarHBondContact O-N 3.2Å; L236-N238 PolarHBondContact O-N 3.23Å; L236-N238 VanDerWaalsContact O-N 3.08Å; L236-S239 WeakPolarHBondContact O-CB 3.23Å; L236-S239 PolarHBondContact O-N 2.84Å; L236-S239 PolarHBondContact O-OG 3.04Å
237P50.6Low57.9Low110 Ų11081.9 Ų81.971%0.71444%0.441SS*.G310 helixtrans-55.3-32.7-176.9-28.835.7000114.6S239P237-S239 VanDerWaalsContact C-N 3.32Å; P237-S239 PolarHBondContact O-N 2.93Å
238N48.1Very low55.9Low64 Ų6483.9 Ų83.934%0.34246%0.463SS..G310 helixtrans-88.814.4178.8-66.1-11.8000113.8A210 L236 Y241A210-N238 PolarHBondContact O-ND2 2.68Å; L236-N238 PolarHBondContact O-N 3.23Å; L236-N238 VanDerWaalsContact O-N 3.08Å; N238-Y241 VanDerWaalsContact CA-CE2 3.42Å; N238-Y241 HydrophobicContact CB-CE2 3.81Å; N238-Y241 VanDerWaalsContact O-CD2 3.25Å; N238-Y241 WeakPolarHBondContact O-CD2 3.28Å; N238-Y241 WeakPolarHBondContact O-CE2 3.42Å; N238-Y241 PolarHBondContact OD1-OH 2.86Å; N238-Y241 VanDerWaalsContact OD1-OH 3.11Å
239S42.4Very low54.1Low30 Ų3084.3 Ų84.321%0.2147%0.47CS..G310 helixtrans-98.3-16.1174.469.10000113.3L236 P237 Y241L236-S239 WeakPolarHBondContact O-CB 3.23Å; L236-S239 PolarHBondContact O-N 2.84Å; L236-S239 PolarHBondContact O-OG 3.04Å; P237-S239 VanDerWaalsContact C-N 3.32Å; P237-S239 PolarHBondContact O-N 2.93Å; S239-Y241 PolarHBondContact O-N 3.07Å
240N27.7Very low52.6Low83 Ų8385.3 Ų85.344%0.44448%0.476SS..  trans-105.468.1-155.8-142.5-20.6000112.4
241Y35.7Very low51.3Low129 Ų12982.5 Ų82.551%0.50646%0.464SS..  trans-116.9-17.8-169.9-65.8-51.3000114.4N238 S239 N243 Y309N238-Y241 VanDerWaalsContact CA-CE2 3.42Å; N238-Y241 HydrophobicContact CB-CE2 3.81Å; N238-Y241 VanDerWaalsContact O-CD2 3.25Å; N238-Y241 WeakPolarHBondContact O-CD2 3.28Å; N238-Y241 WeakPolarHBondContact O-CE2 3.42Å; N238-Y241 PolarHBondContact OD1-OH 2.86Å; N238-Y241 VanDerWaalsContact OD1-OH 3.11Å; S239-Y241 PolarHBondContact O-N 3.07Å; Y241-N243 PolarHBondContact O-N 3.33Å; Y241-Y309 AromaticContact CD1-CD2 3.75Å; Y241-Y309 HydrophobicContact CD1-CD2 3.75Å; Y241-Y309 AromaticContact CD1-CE1 3.72Å; Y241-Y309 HydrophobicContact CD1-CE1 3.72Å; Y241-Y309 AromaticContact CD1-CE2 2.52Å; Y241-Y309 HydrophobicContact CD1-CE2 2.52Å; Y241-Y309 AromaticContact CD1-CZ 2.29Å; Y241-Y309 WeakPolarHBondContact CD1-OH 3.22Å; Y241-Y309 AromaticContact CD2-CD1 3.74Å; Y241-Y309 HydrophobicContact CD2-CD1 3.74Å; Y241-Y309 AromaticContact CD2-CE1 2.53Å; Y241-Y309 HydrophobicContact CD2-CE1 2.53Å; Y241-Y309 AromaticContact CD2-CE2 3.71Å; Y241-Y309 HydrophobicContact CD2-CE2 3.71Å; Y241-Y309 AromaticContact CD2-CZ 2.29Å; Y241-Y309 WeakPolarHBondContact CD2-OH 3.5Å; Y241-Y309 AromaticContact CE1-CD2 3.94Å; Y241-Y309 HydrophobicContact CE1-CD2 3.94Å; Y241-Y309 AromaticContact CE1-CE1 3.73Å; Y241-Y309 HydrophobicContact CE1-CE1 3.73Å; Y241-Y309 AromaticContact CE1-CE2 2.57Å; Y241-Y309 HydrophobicContact CE1-CE2 2.57Å; Y241-Y309 AromaticContact CE1-CZ 2.29Å; Y241-Y309 WeakPolarHBondContact CE1-OH 3.25Å; Y241-Y309 AromaticContact CE2-CD1 3.91Å; Y241-Y309 HydrophobicContact CE2-CD1 3.91Å; Y241-Y309 AromaticContact CE2-CE1 2.54Å; Y241-Y309 HydrophobicContact CE2-CE1 2.54Å; Y241-Y309 AromaticContact CE2-CE2 3.73Å; Y241-Y309 HydrophobicContact CE2-CE2 3.73Å; Y241-Y309 AromaticContact CE2-CZ 2.29Å; Y241-Y309 WeakPolarHBondContact CE2-OH 3.43Å; Y241-Y309 HydrophobicContact CG-CD1 4.1Å; Y241-Y309 HydrophobicContact CG-CD2 4.08Å; Y241-Y309 AromaticContact CG-CE1 3.14Å; Y241-Y309 HydrophobicContact CG-CE1 3.14Å; Y241-Y309 AromaticContact CG-CE2 3.12Å; Y241-Y309 HydrophobicContact CG-CE2 3.12Å; Y241-Y309 HydrophobicContact CG-CG 4.48Å; Y241-Y309 AromaticContact CG-CZ 2.26Å; Y241-Y309 AromaticContact CZ-CE1 3.17Å; Y241-Y309 AromaticContact CZ-CE2 3.2Å; Y241-Y309 AromaticContact CZ-CZ 2.27Å; Y241-Y309 PolarHBondContact OH-OH 2.84Å
242S29.9Very low50.5Low111 Ų11181.6 Ų81.678%0.77646%0.46SS*.SBendtrans-81.624.9172.950.10000113.9
243N26Very low49.6Very low133 Ų13383.2 Ų83.271%0.71147%0.465SS*.  trans-139.246.2-175.8-102.2-46.7000115.4Y241Y241-N243 PolarHBondContact O-N 3.33Å
244Q25.4Very low49.4Very low172 Ų17280.6 Ų80.680%0.80445%0.447SS*.SBendtrans-128.5149.9152.1-70.8-161.13.500110.9N246Q244-N246 PolarHBondContact O-N 3.09Å
245Q32.9Very low49.2Very low194 Ų19477.2 Ų77.291%0.90743%0.432SS*.SBendtrans-78.422.6-165.8-64.3-174.3-21.800115.4
246N30.5Very low49.8Very low143 Ų14373.7 Ų73.777%0.76541%0.414SS*.SBendtrans-117.2131.6168.1-73.1-44.7000108Q244 G248Q244-N246 PolarHBondContact O-N 3.09Å; N246-G248 PolarHBondContact O-N 3.03Å
247G35.4Very low49.7Very low57 Ų5777 Ų7759%0.58843%0.425SS*.  trans-57.1121.3-176.500000111.9Q249G247-Q249 PolarHBondContact O-N 3.47Å
248G52.3Low50.6Low49 Ų4976.3 Ų76.351%0.50541%0.411SS..  trans-61.6127179.200000111.1N246N246-G248 PolarHBondContact O-N 3.03Å
249Q55.4Low51Low111 Ų11177.1 Ų77.152%0.51942%0.418SS..EExtended strand (participates in β ladder)trans-100.1107.4178.3-164.8177.612.900108.8G247 C435 T437G247-Q249 PolarHBondContact O-N 3.47Å; Q249-C435 HydrophobicContact CG-CB 4.45Å; Q249-C435 WeakPolarHBondContact CG-SG 3.44Å; Q249-C435 PolarHBondContact NE2-SG 3.41Å; Q249-T437 HydrophobicContact CB-CG2 4.23Å; Q249-T437 HydrophobicContact CG-CG2 4.02Å
250V63Low51.2Low23 Ų2382 Ų8214%0.13944%0.442CS..EExtended strand (participates in β ladder)trans-95126178.4-172.20000108.4F252 A310 T333 I335 C435 L436V250-F252 HydrophobicContact CB-CE2 4.08Å; V250-F252 HydrophobicContact CG1-CD2 4.2Å; V250-F252 HydrophobicContact CG1-CE2 3.39Å; V250-F252 HydrophobicContact CG1-CZ 3.68Å; V250-A310 HydrophobicContact CB-CB 4.5Å; V250-A310 HydrophobicContact CG1-CB 3.92Å; V250-T333 HydrophobicContact CG1-CG2 4.25Å; V250-I335 HydrophobicContact CG2-CD1 4.15Å; V250-C435 CarbonylContact O-C 3.53Å; V250-C435 WeakPolarHBondContact O-CA 2.96Å; V250-L436 HydrophobicContact CB-CB 4.32Å; V250-L436 PolarHBondContact N-O 3.4Å; V250-L436 PolarHBondContact O-N 2.87Å
251V62.9Low51.7Low10 Ų1081.9 Ų81.96%0.06144%0.441CS..EExtended strand (participates in β ladder)trans-104.7132.8177.7-164.20000110.2A310 Y311 H312 L434V251-A310 WeakPolarHBondContact CA-O 3.43Å; V251-A310 WeakPolarHBondContact CB-O 3.46Å; V251-A310 PolarHBondContact N-O 2.92Å; V251-A310 VanDerWaalsContact N-O 3.16Å; V251-Y311 HydrophobicContact CB-CD1 4.49Å; V251-Y311 HydrophobicContact CB-CE1 4.45Å; V251-Y311 HydrophobicContact CG1-CD1 4.46Å; V251-Y311 HydrophobicContact CG1-CE1 4.19Å; V251-Y311 WeakPolarHBondContact O-CA 3.4Å; V251-H312 PolarHBondContact O-N 3.43Å; V251-L434 CarbonylContact C-O 3.53Å; V251-L434 WeakPolarHBondContact CA-O 3.45Å; V251-L434 VanDerWaalsContact CG1-O 3.31Å; V251-L434 WeakPolarHBondContact CG1-O 3.5Å
252F72.3Confident51.6Low0 Ų083.3 Ų83.30%046%0.457CS..EExtended strand (participates in β ladder)trans-112.2124.4175.7-72.6-82.5000109.4V250 I254 H312 L314 L329 I332 T333 W342 N433 L434 L436V250-F252 HydrophobicContact CB-CE2 4.08Å; V250-F252 HydrophobicContact CG1-CD2 4.2Å; V250-F252 HydrophobicContact CG1-CE2 3.39Å; V250-F252 HydrophobicContact CG1-CZ 3.68Å; F252-I254 HydrophobicContact CB-CG1 4.26Å; F252-H312 WeakPolarHBondContact CA-O 3.37Å; F252-H312 HydrophobicContact CD1-CB 3.52Å; F252-H312 HydrophobicContact CE1-CB 3.42Å; F252-H312 VanDerWaalsContact CE1-CB 3.42Å; F252-H312 AromaticContact CE1-CD2 3.69Å; F252-H312 AromaticContact CE1-CG 3.64Å; F252-H312 HydrophobicContact CG-CB 4.49Å; F252-H312 HydrophobicContact CZ-CB 4.35Å; F252-H312 AromaticContact CZ-CD2 3.75Å; F252-L314 HydrophobicContact CD1-CD1 3.59Å; F252-L314 HydrophobicContact CD1-CG 4.12Å; F252-L314 HydrophobicContact CE1-CD1 4.13Å; F252-L329 HydrophobicContact CD1-CD2 3.55Å; F252-L329 HydrophobicContact CD2-CD2 4.19Å; F252-L329 HydrophobicContact CE1-CD2 3.18Å; F252-L329 HydrophobicContact CE2-CD2 3.85Å; F252-L329 HydrophobicContact CG-CD2 4.06Å; F252-L329 HydrophobicContact CZ-CD2 3.36Å; F252-I332 HydrophobicContact CE1-CG2 4.25Å; F252-I332 HydrophobicContact CZ-CG2 4.42Å; F252-T333 HydrophobicContact CE2-CG2 4.12Å; F252-T333 HydrophobicContact CZ-CG2 3.55Å; F252-W342 AromaticContact CD2-CH2 3.68Å; F252-W342 HydrophobicContact CD2-CH2 3.68Å; F252-W342 AromaticContact CD2-CZ3 3.91Å; F252-W342 HydrophobicContact CD2-CZ3 3.91Å; F252-W342 HydrophobicContact CE2-CH2 4.05Å; F252-W342 HydrophobicContact CG-CH2 4.35Å; F252-N433 CarbonylContact O-C 3.57Å; F252-N433 WeakPolarHBondContact O-CA 3.25Å; F252-L434 HydrophobicContact CB-CB 4.49Å; F252-L434 PolarHBondContact N-O 3.07Å; F252-L434 PolarHBondContact O-N 2.88Å; F252-L436 HydrophobicContact CD2-CB 4.24Å; F252-L436 HydrophobicContact CE2-CB 4Å; F252-L436 HydrophobicContact CE2-CD2 4.01Å
253H66Low51.6Low55 Ų5586.7 Ų86.726%0.25546%0.461SS..EExtended strand (participates in β ladder)trans-100.595173.8-178-81.6000107.8H312 D313 L314 V431 N433H253-H312 PolarHBondContact N-O 2.96Å; H253-D313 WeakPolarHBondContact CB-OD1 3.4Å; H253-D313 IonicContact CG-OD1 2.71Å; H253-D313 IonicContact ND1-OD1 3.29Å; H253-D313 WeakPolarHBondContact O-CA 3.5Å; H253-L314 PolarHBondContact O-N 3.4Å; H253-V431 WeakPolarHBondContact CE1-CG1 3.41Å; H253-V431 VanDerWaalsContact NE2-CG1 3.31Å; H253-V431 WeakPolarHBondContact NE2-CG1 3.34Å; H253-N433 PolarHBondContact CD2-ND2 3.46Å
254I75.3Confident51.7Low2 Ų287.8 Ų87.81%0.0147%0.465CS..EExtended strand (participates in β ladder)trans-93.6123-176.1-52.5-177.2000108.9F252 V256 L314 L316 L325 V431 C432 L434F252-I254 HydrophobicContact CB-CG1 4.26Å; I254-V256 HydrophobicContact CG2-CG2 4.38Å; I254-L314 WeakPolarHBondContact CA-O 3.4Å; I254-L314 HydrophobicContact CG1-CB 4.36Å; I254-L316 HydrophobicContact CG2-CB 4.45Å; I254-L316 HydrophobicContact CG2-CD1 3.74Å; I254-L316 HydrophobicContact CG2-CG 4.18Å; I254-L325 HydrophobicContact CD1-CD2 4.41Å; I254-V431 WeakPolarHBondContact O-CA 3.45Å; I254-C432 PolarHBondContact N-O 3.29Å; I254-C432 PolarHBondContact O-N 3.06Å; I254-L434 HydrophobicContact CD1-CD1 3.77Å; I254-L434 HydrophobicContact CD1-CG 4.38Å
255S71.4Confident51.8Low33 Ų3384.6 Ų84.623%0.23146%0.459CS..EExtended strand (participates in β ladder)trans-112126171.455.70000109.9L314 C315 L316S255-L314 PolarHBondContact N-O 3.49Å; S255-C315 WeakPolarHBondContact O-CA 3.31Å; S255-L316 PolarHBondContact O-N 3.18Å
256V77.2Confident51.3Low7 Ų779.3 Ų79.34%0.04245%0.449CS..EExtended strand (participates in β ladder)trans-99.1135-174.4-178.40000110.9I254 L316 C318 L421 L426 K427 G429 D430I254-V256 HydrophobicContact CG2-CG2 4.38Å; V256-L316 VanDerWaalsContact CA-O 3.29Å; V256-L316 WeakPolarHBondContact CA-O 3.42Å; V256-C318 HydrophobicContact CG1-CB 3.83Å; V256-L421 HydrophobicContact CG2-CD1 4.27Å; V256-L426 HydrophobicContact CG2-CB 4.27Å; V256-L426 HydrophobicContact CG2-CD1 4.21Å; V256-K427 WeakPolarHBondContact CB-O 3.27Å; V256-K427 WeakPolarHBondContact CG1-O 3.48Å; V256-G429 PolarHBondContact O-N 3.48Å; V256-D430 HydrophobicContact CB-CB 4.5Å; V256-D430 PolarHBondContact N-O 3.16Å
257Y64.3Low51.1Low102 Ų10278.7 Ų78.740%0.445%0.453SS..EExtended strand (participates in β ladder)trans-126.7175.717572.3-84.6000112.1C315 L316 P317 C318Y257-C315 WeakPolarHBondContact CD1-SG 3.34Å; Y257-L316 VanDerWaalsContact CD1-C 3.44Å; Y257-L316 WeakPolarHBondContact CD1-O 3.36Å; Y257-L316 PolarHBondContact N-O 2.98Å; Y257-P317 HydrophobicContact CD1-CB 4.49Å; Y257-P317 HydrophobicContact CD2-CB 4.38Å; Y257-P317 HydrophobicContact CE1-CB 4.02Å; Y257-P317 HydrophobicContact CE1-CG 4.37Å; Y257-P317 VanDerWaalsContact CE1-N 3.26Å; Y257-P317 HydrophobicContact CE2-CB 3.88Å; Y257-P317 CarbonylContact O-C 3.59Å; Y257-P317 WeakPolarHBondContact O-CA 3.42Å; Y257-C318 PolarHBondContact O-N 2.81Å
258K69.4Low50.5Low95 Ų9582.3 Ų82.341%0.41346%0.463SS..  trans-121.4138.2177.9170.9157.6160.2-83.10110.1N260 D261 S428K258-N260 VanDerWaalsContact C-N 3.25Å; K258-N260 PolarHBondContact O-N 3.44Å; K258-N260 VanDerWaalsContact O-N 3.16Å; K258-D261 VanDerWaalsContact CD-OD2 3.32Å; K258-D261 WeakPolarHBondContact CD-OD2 3.18Å; K258-D261 WeakPolarHBondContact CG-OD2 3.38Å; K258-D261 IonicContact NZ-OD1 2.69Å; K258-D261 PolarHBondContact NZ-OD1 3.1Å; K258-D261 IonicContact NZ-OD2 3.5Å; K258-D261 PolarHBondContact NZ-OD2 3.01Å; K258-S428 PolarHBondContact N-OG 2.66Å
259T55.6Low49Very low81 Ų8186.3 Ų86.350%0.49748%0.478SS..THydrogen-bonded Turntrans-64.4-18.9-167.6400000115.7P317T259-P317 HydrophobicContact CG2-CB 3.94Å
260N46.3Very low47.4Very low131 Ų13187.4 Ų87.470%0.70149%0.493SS*.THydrogen-bonded Turntrans-118.53.8-169-65.42000115K258 N262K258-N260 VanDerWaalsContact C-N 3.25Å; K258-N260 PolarHBondContact O-N 3.44Å; K258-N260 VanDerWaalsContact O-N 3.16Å; N260-N262 PolarHBondContact O-N 3.39Å
261D37.7Very low45.4Very low82 Ų8291.7 Ų91.744%0.43952%0.519SS..  trans-96.477.7-166.5-67.1-10.5000113K258 E263K258-D261 VanDerWaalsContact CD-OD2 3.32Å; K258-D261 WeakPolarHBondContact CD-OD2 3.18Å; K258-D261 WeakPolarHBondContact CG-OD2 3.38Å; K258-D261 IonicContact NZ-OD1 2.69Å; K258-D261 PolarHBondContact NZ-OD1 3.1Å; K258-D261 IonicContact NZ-OD2 3.5Å; K258-D261 PolarHBondContact NZ-OD2 3.01Å; D261-E263 PolarHBondContact O-N 2.99Å
262N35.1Very low43.3Very low158 Ų15897 Ų9785%0.84555%0.552SS**  trans-79.219.7174.9-104.814.4000114N260 I264N260-N262 PolarHBondContact O-N 3.39Å; N262-I264 PolarHBondContact O-N 3.35Å
263E29.1Very low40.8Very low182 Ų182105.4 Ų105.485%0.8559%0.593SS**  trans-83.4112.2-175.6-73-161.9131.700113.2D261 P265D261-E263 PolarHBondContact O-N 2.99Å; E263-P265 WeakPolarHBondContact O-CD 3.47Å
264I28.5Very low38.5Very low157 Ų157108.3 Ų108.381%0.80562%0.615SS**PPolyproline II helixtrans-71.9120.4176.3-57.7170.7000110.2N262 A266N262-I264 PolarHBondContact O-N 3.35Å; I264-A266 PolarHBondContact O-N 2.84Å
265P27.7Very low35.9Very low104 Ų104115.1 Ų115.168%0.67566%0.657SS**PPolyproline II helixtrans-67.3121.1175.9-2134.3000111.9E263E263-P265 WeakPolarHBondContact O-CD 3.47Å
266A22.9Very low33.5Very low83 Ų83116.7 Ų116.769%0.68668%0.678SS**PPolyproline II helixtrans-66.1138.8-17400000113.6I264 T268I264-A266 PolarHBondContact O-N 2.84Å; A266-T268 PolarHBondContact O-N 2.88Å
267P24.6Very low30.7Very low130 Ų130122.8 Ų122.884%0.84472%0.721SS**PPolyproline II helixtrans-73.7118-176.229.1-34.7000111.8
268T23.9Very low28.7Very low133 Ų133123.6 Ų123.682%0.81674%0.741SS**  trans-105.4120.1176.8-47.10000111.1A266A266-T268 PolarHBondContact O-N 2.88Å
269T20Very low26.3Very low133 Ų133124.4 Ų124.482%0.81676%0.759SS**  trans-66137-178.2-33.90000112.4
270T22.5Very low24.7Very low134 Ų134128.8 Ų128.882%0.82278%0.778SS**  trans-146.5135.3160.6-730000110.9
271T20.4Very low23.4Very low113 Ų113129.7 Ų129.769%0.69378%0.777SS**  trans-75.9142.7-163.5-48.50000113.9
272T19.5Very low22.8Very low121 Ų121130.6 Ų130.674%0.74280%0.797SS**  trans-63129.5167.835.80000112.2
273M19.4Very low22Very low178 Ų178128 Ų12888%0.87778%0.783SS**  trans-127.5129.4159.8-81.3-68145.500109.1
274T18.5Very low21.9Very low115 Ų115125.7 Ų125.771%0.70678%0.781SS**  trans-106.2173.5-169.550.20000111.9
275T20.8Very low21.5Very low146 Ų146126.6 Ų126.690%0.89678%0.779SS**  trans72.9150.2175.379.30000115.6
276G19.3Very low21.5Very low65 Ų65128.5 Ų128.567%0.6778%0.784SS**  trans15411.9-179.100000117.9S278G276-S278 PolarHBondContact O-N 3.07Å
277S19.8Very low21.5Very low135 Ų135134.7 Ų134.794%0.94479%0.789SS**  trans-56123.9175.5-52.50000111.2
278S21.2Very low21.4Very low119 Ų119134.5 Ų134.583%0.83278%0.782SS**  trans-138133.2173.549.40000110.9G276G276-S278 PolarHBondContact O-N 3.07Å
279S18.6Very low21.6Very low113 Ų113135.1 Ų135.179%0.7978%0.78SS**  trans-120.5127.8-168.347.30000111.9
280I22.6Very low21.9Very low172 Ų172136 Ų13688%0.88278%0.779SS**  trans-143.4108.4164.4-52.6-180000105.5
281H19.3Very low21.9Very low150 Ų150136.2 Ų136.269%0.69478%0.775SS**  cis96.486.735.4-166.869.2000113.9N283H281-N283 PolarHBondContact CE1-ND2 3.34Å; H281-N283 PolarHBondContact NE2-ND2 3.05Å
282A24.7Very low22.1Very low102 Ų102137 Ų13784%0.84377%0.774SS**  trans-16598.5162.100000106.9
283N18.7Very low22.2Very low103 Ų103139.1 Ų139.155%0.55178%0.775SS**  cis85.783.136.2-153.3-5.5000113.9H281H281-N283 PolarHBondContact CE1-ND2 3.34Å; H281-N283 PolarHBondContact NE2-ND2 3.05Å
284T26.5Very low22.3Very low134 Ų134138.7 Ų138.782%0.82277%0.771SS**  trans-174.1102.2154.5-72.40000106.1
285K21.3Very low22.5Very low175 Ų175138.6 Ų138.676%0.76178%0.775SS**  70.392.269-72.9-163.3174.2-172.80115.8
286N26.9Very low22.5Very low145 Ų145141.4 Ų141.478%0.77578%0.778SS**  -164.7127.5129.1-86.8-31.3000105.9
287R23.1Very low22.6Very low212 Ų212142.9 Ų142.980%0.878%0.778SS**  58.1138.589.7-60.7-164.4168.5171.7-5.3114.9
288D23.2Very low22.7Very low127 Ų127143.2 Ų143.268%0.67977%0.77SS**  cis-170.6170.2-22.6-88.8-31.7000105
289D28.2Very low22.7Very low145 Ų145146.7 Ų146.778%0.77577%0.773SS**  trans67105.9164.7-51.4-19.9000121.1
290D24.6Very low23.1Very low151 Ų151149.5 Ų149.581%0.80778%0.778SS**  64.4141.4127.3-60.4-13.1000127.1
291D23.6Very low23Very low139 Ų139147.6 Ų147.674%0.74377%0.774SS**  trans74.6112.4147.2-86.2-3.8000125.5
292I24.3Very low23.2Very low131 Ų131147.4 Ų147.467%0.67278%0.784SS**  73.5102.8125-65.2172.6000120.3
293H22.2Very low23.1Very low164 Ų164145.6 Ų145.676%0.75978%0.776SS**  trans64.3133.9138.2-86.6-95000123.3
294Q21.8Very low23.3Very low169 Ų169152.2 Ų152.279%0.7979%0.793SS**  trans88.3124.6150.5-70.217193.200120
295S21.7Very low23.1Very low113 Ų113151.2 Ų151.279%0.7979%0.791SS**  trans53.381.2153.757.70000118.5
296E22.1Very low23.1Very low205 Ų205148.6 Ų148.696%0.95879%0.794SS**  trans-96.1101.4151.4-72-158.5134.700110.7
297S20.2Very low23.1Very low97 Ų97145.1 Ų145.168%0.67878%0.781SS**  trans-92.9154152.155.20000109.1
298N22.1Very low23.4Very low142 Ų142140 Ų14076%0.75978%0.775SS**  trans62.481.1167.1-56.4-31.2000117.8
299Q22.2Very low23.7Very low192 Ų192137.5 Ų137.590%0.89776%0.757SS**  -153.890.5119.3-111154.9109.300111.5T301Q299-T301 PolarHBondContact O-N 3.1Å
300L25.2Very low24.4Very low171 Ų171131.2 Ų131.290%0.89573%0.725SS**  trans-60.9120.9159.2-108.371.5000107.6
301T22.1Very low25Very low132 Ų132130.6 Ų130.681%0.8171%0.712SS**  trans-57.1146.1168.351.60000108.9Q299 G303Q299-T301 PolarHBondContact O-N 3.1Å; T301-G303 PolarHBondContact O-N 3.44Å
302T21.9Very low26.5Very low146 Ų146126.5 Ų126.590%0.89669%0.689SS**  trans-74.766.7-17556.50000111.7R304T302-R304 PolarHBondContact O-N 3.26Å
303G23.4Very low28.1Very low65 Ų65125 Ų12567%0.6768%0.682SS**  trans-57.9105.8163.500000108T301 S305T301-G303 PolarHBondContact O-N 3.44Å; G303-S305 PolarHBondContact O-N 2.81Å
304R22.2Very low30.2Very low241 Ų241118.4 Ų118.491%0.90965%0.652SS**  trans-49.5106.2-176.8-173.8-175.6-167.3-177.43.9109.5T302 C306T302-R304 PolarHBondContact O-N 3.26Å; R304-C306 PolarHBondContact O-N 2.79Å
305S22Very low32.3Very low113 Ų113114.2 Ų114.279%0.7964%0.641SS**  trans-61.1104.5-172.454.40000110.6G303 S307G303-S305 PolarHBondContact O-N 2.81Å; S305-S307 PolarHBondContact O-N 2.67Å
306C23.2Very low34.9Very low121 Ų121110 Ų11082%0.81861%0.609SS**  trans-60.3123.3159.9-67.90000106.8R304R304-C306 PolarHBondContact O-N 2.79Å
307S26.1Very low37.4Very low72 Ų72101.6 Ų101.650%0.50357%0.572SS.*  trans-54.7130.3167.5169.20000108.6S305 Y309S305-S307 PolarHBondContact O-N 2.67Å; S307-Y309 VanDerWaalsContact CB-O 3.3Å; S307-Y309 WeakPolarHBondContact CB-O 3.37Å; S307-Y309 PolarHBondContact O-N 3.46Å; S307-Y309 WeakPolarHBondContact OG-CB 3.11Å; S307-Y309 WeakPolarHBondContact OG-CD2 3.27Å; S307-Y309 PolarHBondContact OG-N 3.14Å; S307-Y309 PolarHBondContact OG-O 2.95Å
308P28.9Very low40.2Very low104 Ų10498 Ų9868%0.67555%0.547SS*.SBendtrans-68.2-20.2172.128.7-33.3000111.2
309Y30.4Very low42.8Very low74 Ų7495.3 Ų95.329%0.2953%0.532SS..  trans-74.2124.7161.9-42-65.1000110.2Y241 S307Y241-Y309 AromaticContact CD1-CD2 3.75Å; Y241-Y309 HydrophobicContact CD1-CD2 3.75Å; Y241-Y309 AromaticContact CD1-CE1 3.72Å; Y241-Y309 HydrophobicContact CD1-CE1 3.72Å; Y241-Y309 AromaticContact CD1-CE2 2.52Å; Y241-Y309 HydrophobicContact CD1-CE2 2.52Å; Y241-Y309 AromaticContact CD1-CZ 2.29Å; Y241-Y309 WeakPolarHBondContact CD1-OH 3.22Å; Y241-Y309 AromaticContact CD2-CD1 3.74Å; Y241-Y309 HydrophobicContact CD2-CD1 3.74Å; Y241-Y309 AromaticContact CD2-CE1 2.53Å; Y241-Y309 HydrophobicContact CD2-CE1 2.53Å; Y241-Y309 AromaticContact CD2-CE2 3.71Å; Y241-Y309 HydrophobicContact CD2-CE2 3.71Å; Y241-Y309 AromaticContact CD2-CZ 2.29Å; Y241-Y309 WeakPolarHBondContact CD2-OH 3.5Å; Y241-Y309 AromaticContact CE1-CD2 3.94Å; Y241-Y309 HydrophobicContact CE1-CD2 3.94Å; Y241-Y309 AromaticContact CE1-CE1 3.73Å; Y241-Y309 HydrophobicContact CE1-CE1 3.73Å; Y241-Y309 AromaticContact CE1-CE2 2.57Å; Y241-Y309 HydrophobicContact CE1-CE2 2.57Å; Y241-Y309 AromaticContact CE1-CZ 2.29Å; Y241-Y309 WeakPolarHBondContact CE1-OH 3.25Å; Y241-Y309 AromaticContact CE2-CD1 3.91Å; Y241-Y309 HydrophobicContact CE2-CD1 3.91Å; Y241-Y309 AromaticContact CE2-CE1 2.54Å; Y241-Y309 HydrophobicContact CE2-CE1 2.54Å; Y241-Y309 AromaticContact CE2-CE2 3.73Å; Y241-Y309 HydrophobicContact CE2-CE2 3.73Å; Y241-Y309 AromaticContact CE2-CZ 2.29Å; Y241-Y309 WeakPolarHBondContact CE2-OH 3.43Å; Y241-Y309 HydrophobicContact CG-CD1 4.1Å; Y241-Y309 HydrophobicContact CG-CD2 4.08Å; Y241-Y309 AromaticContact CG-CE1 3.14Å; Y241-Y309 HydrophobicContact CG-CE1 3.14Å; Y241-Y309 AromaticContact CG-CE2 3.12Å; Y241-Y309 HydrophobicContact CG-CE2 3.12Å; Y241-Y309 HydrophobicContact CG-CG 4.48Å; Y241-Y309 AromaticContact CG-CZ 2.26Å; Y241-Y309 AromaticContact CZ-CE1 3.17Å; Y241-Y309 AromaticContact CZ-CE2 3.2Å; Y241-Y309 AromaticContact CZ-CZ 2.27Å; Y241-Y309 PolarHBondContact OH-OH 2.84Å; S307-Y309 VanDerWaalsContact CB-O 3.3Å; S307-Y309 WeakPolarHBondContact CB-O 3.37Å; S307-Y309 PolarHBondContact O-N 3.46Å; S307-Y309 WeakPolarHBondContact OG-CB 3.11Å; S307-Y309 WeakPolarHBondContact OG-CD2 3.27Å; S307-Y309 PolarHBondContact OG-N 3.14Å; S307-Y309 PolarHBondContact OG-O 2.95Å
310A42.4Very low45.6Very low14 Ų1487.2 Ų87.212%0.11650%0.497CS..  cis-153.4138.6-6.400000109.5V250 V251V250-A310 HydrophobicContact CB-CB 4.5Å; V250-A310 HydrophobicContact CG1-CB 3.92Å; V251-A310 WeakPolarHBondContact CA-O 3.43Å; V251-A310 WeakPolarHBondContact CB-O 3.46Å; V251-A310 PolarHBondContact N-O 2.92Å; V251-A310 VanDerWaalsContact N-O 3.16Å
311Y36.1Very low48.2Very low138 Ų13884.8 Ų84.854%0.54148%0.477SS..EExtended strand (participates in β ladder)trans-130.1112.8166.9-78.9-93.3000107.5V251V251-Y311 HydrophobicContact CB-CD1 4.49Å; V251-Y311 HydrophobicContact CB-CE1 4.45Å; V251-Y311 HydrophobicContact CG1-CD1 4.46Å; V251-Y311 HydrophobicContact CG1-CE1 4.19Å; V251-Y311 WeakPolarHBondContact O-CA 3.4Å
312H56.6Low50.9Low53 Ų5378.5 Ų78.525%0.24544%0.439CS..EExtended strand (participates in β ladder)trans-107.8115.2170.4-63-88.6000108.5V251 F252 H253V251-H312 PolarHBondContact O-N 3.43Å; F252-H312 WeakPolarHBondContact CA-O 3.37Å; F252-H312 HydrophobicContact CD1-CB 3.52Å; F252-H312 HydrophobicContact CE1-CB 3.42Å; F252-H312 VanDerWaalsContact CE1-CB 3.42Å; F252-H312 AromaticContact CE1-CD2 3.69Å; F252-H312 AromaticContact CE1-CG 3.64Å; F252-H312 HydrophobicContact CG-CB 4.49Å; F252-H312 HydrophobicContact CZ-CB 4.35Å; F252-H312 AromaticContact CZ-CD2 3.75Å; H253-H312 PolarHBondContact N-O 2.96Å
313D56.3Low53.3Low99 Ų9973 Ų7353%0.52941%0.406SS..EExtended strand (participates in β ladder)trans-78.5121.8172.2-64.3-21.2000108.9H253H253-D313 WeakPolarHBondContact CB-OD1 3.4Å; H253-D313 IonicContact CG-OD1 2.71Å; H253-D313 IonicContact ND1-OD1 3.29Å; H253-D313 WeakPolarHBondContact O-CA 3.5Å
314L66.9Low55.5Low25 Ų2574.4 Ų74.413%0.13140%0.395CS..EExtended strand (participates in β ladder)trans-120.5113175.7-66.6179.4000109.6F252 H253 I254 S255 L316 L325 L329 I332F252-L314 HydrophobicContact CD1-CD1 3.59Å; F252-L314 HydrophobicContact CD1-CG 4.12Å; F252-L314 HydrophobicContact CE1-CD1 4.13Å; H253-L314 PolarHBondContact O-N 3.4Å; I254-L314 WeakPolarHBondContact CA-O 3.4Å; I254-L314 HydrophobicContact CG1-CB 4.36Å; S255-L314 PolarHBondContact N-O 3.49Å; L314-L316 HydrophobicContact CB-CD1 4.46Å; L314-L316 HydrophobicContact CB-CD2 4.5Å; L314-L316 HydrophobicContact CB-CG 4.21Å; L314-L325 HydrophobicContact CD1-CD1 4.28Å; L314-L329 HydrophobicContact CD1-CD2 3.82Å; L314-I332 HydrophobicContact CD2-CD1 4.11Å
315C66Low58Low82 Ų8263.2 Ų63.255%0.55435%0.353SS*.EExtended strand (participates in β ladder)trans-92.4112171.9-157.80000108.9S255 Y257S255-C315 WeakPolarHBondContact O-CA 3.31Å; Y257-C315 WeakPolarHBondContact CD1-SG 3.34Å
316L76.4Confident60.5Low25 Ų2557.9 Ų57.913%0.13132%0.316CS..EExtended strand (participates in β ladder)trans-122.5132.7-171.4-61.5179.7000110.8I254 S255 V256 Y257 L314 L325 L421I254-L316 HydrophobicContact CG2-CB 4.45Å; I254-L316 HydrophobicContact CG2-CD1 3.74Å; I254-L316 HydrophobicContact CG2-CG 4.18Å; S255-L316 PolarHBondContact O-N 3.18Å; V256-L316 VanDerWaalsContact CA-O 3.29Å; V256-L316 WeakPolarHBondContact CA-O 3.42Å; Y257-L316 VanDerWaalsContact CD1-C 3.44Å; Y257-L316 WeakPolarHBondContact CD1-O 3.36Å; Y257-L316 PolarHBondContact N-O 2.98Å; L314-L316 HydrophobicContact CB-CD1 4.46Å; L314-L316 HydrophobicContact CB-CD2 4.5Å; L314-L316 HydrophobicContact CB-CG 4.21Å; L316-L325 HydrophobicContact CD1-CD1 3.63Å; L316-L325 HydrophobicContact CD1-CD2 3.97Å; L316-L325 HydrophobicContact CD1-CG 4.41Å; L316-L421 HydrophobicContact CB-CD1 3.72Å; L316-L421 HydrophobicContact CD1-CD1 3.94Å
317P75.7Confident62.5Low28 Ų2855.4 Ų55.418%0.18230%0.295CS..EExtended strand (participates in β ladder)trans-70150.4173.231.1-35.6000110.1Y257 T259 D319 S320Y257-P317 HydrophobicContact CD1-CB 4.49Å; Y257-P317 HydrophobicContact CD2-CB 4.38Å; Y257-P317 HydrophobicContact CE1-CB 4.02Å; Y257-P317 HydrophobicContact CE1-CG 4.37Å; Y257-P317 VanDerWaalsContact CE1-N 3.26Å; Y257-P317 HydrophobicContact CE2-CB 3.88Å; Y257-P317 CarbonylContact O-C 3.59Å; Y257-P317 WeakPolarHBondContact O-CA 3.42Å; T259-P317 HydrophobicContact CG2-CB 3.94Å; P317-D319 WeakPolarHBondContact CB-OD1 3.44Å; P317-D319 PolarHBondContact O-N 3.06Å; P317-D319 VanDerWaalsContact O-N 3.12Å; P317-S320 WeakPolarHBondContact CD-OG 3.43Å; P317-S320 WeakPolarHBondContact CG-OG 3.45Å; P317-S320 VanDerWaalsContact O-CB 3.28Å; P317-S320 WeakPolarHBondContact O-CB 3.47Å; P317-S320 PolarHBondContact O-N 2.96Å; P317-S320 PolarHBondContact O-OG 3.21Å
318C77.7Confident64.1Low22 Ų2254.5 Ų54.515%0.14928%0.284CS..THydrogen-bonded Turntrans-62.8-21.4-17157.30000114.6V256 Y257 S320 A422V256-C318 HydrophobicContact CG1-CB 3.83Å; Y257-C318 PolarHBondContact O-N 2.81Å; C318-S320 VanDerWaalsContact C-N 3.34Å; C318-A422 HydrophobicContact CB-CB 4.4Å; C318-A422 WeakPolarHBondContact O-CB 3.2Å; C318-A422 PolarHBondContact O-N 3.44Å
319D77.8Confident65.9Low84 Ų8449.6 Ų49.645%0.44925%0.252SS..THydrogen-bonded Turntrans-85.13.5174.154.6-37.7000114.2P317 Y321 T420P317-D319 WeakPolarHBondContact CB-OD1 3.44Å; P317-D319 PolarHBondContact O-N 3.06Å; P317-D319 VanDerWaalsContact O-N 3.12Å; D319-Y321 PolarHBondContact O-N 3Å; D319-T420 WeakPolarHBondContact O-CG2 3.37Å
320S79.2Confident67.4Low23 Ų2351.4 Ų51.416%0.16126%0.259CS..  trans-58127.4174.5-590000111.9P317 C318 T420 L421P317-S320 WeakPolarHBondContact CD-OG 3.43Å; P317-S320 WeakPolarHBondContact CG-OG 3.45Å; P317-S320 VanDerWaalsContact O-CB 3.28Å; P317-S320 WeakPolarHBondContact O-CB 3.47Å; P317-S320 PolarHBondContact O-N 2.96Å; P317-S320 PolarHBondContact O-OG 3.21Å; C318-S320 VanDerWaalsContact C-N 3.34Å; S320-T420 CarbonylContact O-C 3.29Å; S320-T420 VanDerWaalsContact O-CA 3.26Å; S320-T420 WeakPolarHBondContact O-CA 3.47Å; S320-L421 PolarHBondContact O-N 3.35Å
321Y80.8Confident67.9Low119 Ų11958.9 Ų58.947%0.46729%0.285SS..BIsolated β-bridgetrans-72.7133.5175.1-63.8-73.5000111.8D319 S323 Q324 L325 N418 T420D319-Y321 PolarHBondContact O-N 3Å; Y321-S323 VanDerWaalsContact C-N 3.26Å; Y321-S323 PolarHBondContact O-N 2.8Å; Y321-Q324 PolarHBondContact O-N 3.16Å; Y321-Q324 VanDerWaalsContact O-N 3.16Å; Y321-L325 PolarHBondContact O-N 3.22Å; Y321-N418 HydrophobicContact CD1-CB 4.48Å; Y321-N418 HydrophobicContact CE1-CB 4.18Å; Y321-T420 HydrophobicContact CD1-CG2 3.88Å; Y321-T420 HydrophobicContact CE1-CG2 3.87Å
322I79.4Confident68.7Low1 Ų154.3 Ų54.31%0.00527%0.269CS..Hα-helixtrans-65.9-32.3178.6-65.8174.3000111.1L325 C326 L372 E375 L376 L419 L421 C424I322-L325 PolarHBondContact O-N 3.29Å; I322-C326 PolarHBondContact O-N 2.88Å; I322-C326 PolarHBondContact O-SG 2.97Å; I322-L372 HydrophobicContact CD1-CD1 4.1Å; I322-E375 HydrophobicContact CD1-CB 4.33Å; I322-E375 HydrophobicContact CD1-CG 4.28Å; I322-E375 HydrophobicContact CG2-CG 4.42Å; I322-L376 HydrophobicContact CG2-CD2 3.75Å; I322-L376 HydrophobicContact CG2-CG 4.15Å; I322-L419 HydrophobicContact CD1-CB 4.45Å; I322-L419 HydrophobicContact CD1-CD2 4.42Å; I322-L419 PolarHBondContact N-O 2.88Å; I322-L421 HydrophobicContact CG1-CD2 4.23Å; I322-C424 HydrophobicContact CD1-CB 4.42Å; I322-C424 WeakPolarHBondContact CD1-SG 3.39Å
323S72Confident68.9Low29 Ų2953.6 Ų53.620%0.20327%0.268CS..Hα-helixtrans-66.7-38.4173.351.90000112.6Y321 N327 N417Y321-S323 VanDerWaalsContact C-N 3.26Å; Y321-S323 PolarHBondContact O-N 2.8Å; S323-N327 PolarHBondContact O-N 2.89Å; S323-N327 PolarHBondContact O-ND2 3.04Å; S323-N417 WeakPolarHBondContact CB-O 3.19Å; S323-N417 PolarHBondContact OG-O 2.87Å
324Q68.8Low68.7Low95 Ų9551 Ų5144%0.44427%0.265SS..Hα-helixtrans-67.3-46.8172.5-175.957.642.200110.4Y321 C326 N327 D328Y321-Q324 PolarHBondContact O-N 3.16Å; Y321-Q324 VanDerWaalsContact O-N 3.16Å; Q324-C326 VanDerWaalsContact C-N 3.29Å; Q324-C326 PolarHBondContact O-N 3.41Å; Q324-N327 WeakPolarHBondContact O-CA 3.24Å; Q324-N327 WeakPolarHBondContact O-CB 3.49Å; Q324-N327 PolarHBondContact O-N 3.25Å; Q324-D328 WeakPolarHBondContact CG-OD2 3.38Å; Q324-D328 PolarHBondContact NE2-OD1 3.46Å; Q324-D328 PolarHBondContact NE2-OD2 3.45Å; Q324-D328 PolarHBondContact O-N 3.25Å
325L75.8Confident68.6Low6 Ų650.8 Ų50.83%0.03126%0.264CS..Hα-helixtrans-53.5-43176.4-179.156.1000112.2I254 L314 L316 Y321 I322 N327 D328 L329 L376 L421I254-L325 HydrophobicContact CD1-CD2 4.41Å; L314-L325 HydrophobicContact CD1-CD1 4.28Å; L316-L325 HydrophobicContact CD1-CD1 3.63Å; L316-L325 HydrophobicContact CD1-CD2 3.97Å; L316-L325 HydrophobicContact CD1-CG 4.41Å; Y321-L325 PolarHBondContact O-N 3.22Å; I322-L325 PolarHBondContact O-N 3.29Å; L325-N327 VanDerWaalsContact C-N 3.31Å; L325-N327 PolarHBondContact O-N 3.38Å; L325-D328 PolarHBondContact O-N 2.86Å; L325-L329 HydrophobicContact CD1-CD1 3.53Å; L325-L329 HydrophobicContact CD1-CG 3.96Å; L325-L329 HydrophobicContact CD2-CD1 4.5Å; L325-L329 HydrophobicContact CG-CD1 3.57Å; L325-L329 HydrophobicContact CG-CG 4.43Å; L325-L329 VanDerWaalsContact O-CB 3.25Å; L325-L329 WeakPolarHBondContact O-CB 3.48Å; L325-L329 VanDerWaalsContact O-CD1 3.22Å; L325-L329 WeakPolarHBondContact O-CD1 3.34Å; L325-L329 WeakPolarHBondContact O-CG 3.48Å; L325-L329 PolarHBondContact O-N 3.36Å; L325-L376 HydrophobicContact CD2-CD2 4.47Å; L325-L421 HydrophobicContact CD2-CD2 4.12Å
326C74Confident68.3Low1 Ų149.7 Ų49.71%0.00726%0.256CS..Hα-helixtrans-61.4-35.8175.1-66.80000113.5I322 Q324 Y330 I337 Q340I322-C326 PolarHBondContact O-N 2.88Å; I322-C326 PolarHBondContact O-SG 2.97Å; Q324-C326 VanDerWaalsContact C-N 3.29Å; Q324-C326 PolarHBondContact O-N 3.41Å; C326-Y330 PolarHBondContact O-N 2.89Å; C326-Y330 VanDerWaalsContact O-N 3.07Å; C326-I337 HydrophobicContact CB-CG2 4.27Å; C326-Q340 PolarHBondContact O-NE2 3.21Å
327N64.8Low67.9Low70 Ų7050.5 Ų50.537%0.37426%0.26SS..Hα-helixtrans-73.2-43.3176.2-76.7-77.7000111.7S323 Q324 L325 L329 Y330 R331 I337S323-N327 PolarHBondContact O-N 2.89Å; S323-N327 PolarHBondContact O-ND2 3.04Å; Q324-N327 WeakPolarHBondContact O-CA 3.24Å; Q324-N327 WeakPolarHBondContact O-CB 3.49Å; Q324-N327 PolarHBondContact O-N 3.25Å; L325-N327 VanDerWaalsContact C-N 3.31Å; L325-N327 PolarHBondContact O-N 3.38Å; N327-L329 VanDerWaalsContact C-N 3.28Å; N327-L329 PolarHBondContact O-N 3.42Å; N327-Y330 WeakPolarHBondContact O-CB 3.39Å; N327-Y330 PolarHBondContact O-N 3.03Å; N327-R331 WeakPolarHBondContact O-CG 3.25Å; N327-R331 PolarHBondContact O-N 3.37Å; N327-I337 WeakPolarHBondContact OD1-CD1 3.49Å
328D59.9Low67.4Low53 Ų5353.2 Ų53.228%0.28328%0.276SS..Hα-helixtrans-63.3-39176.3-60.3-29.4000110.7Q324 L325 Y330 R331 I332Q324-D328 WeakPolarHBondContact CG-OD2 3.38Å; Q324-D328 PolarHBondContact NE2-OD1 3.46Å; Q324-D328 PolarHBondContact NE2-OD2 3.45Å; Q324-D328 PolarHBondContact O-N 3.25Å; L325-D328 PolarHBondContact O-N 2.86Å; D328-Y330 VanDerWaalsContact C-N 3.35Å; D328-Y330 PolarHBondContact O-N 3.45Å; D328-R331 CarbonylContact O-C 3.53Å; D328-R331 WeakPolarHBondContact O-CA 3.16Å; D328-R331 WeakPolarHBondContact O-CB 3.26Å; D328-R331 PolarHBondContact O-N 3.26Å; D328-R331 VanDerWaalsContact O-N 3.14Å; D328-I332 WeakPolarHBondContact O-CB 3.44Å; D328-I332 WeakPolarHBondContact O-CD1 3.25Å; D328-I332 WeakPolarHBondContact O-CG1 3.4Å; D328-I332 PolarHBondContact O-N 3.01Å
329L68Low66.8Low1 Ų153.1 Ų53.11%0.00528%0.276CS..Hα-helixtrans-69.8-30.1175.7-69.9162.9000112.9F252 L314 L325 N327 I332 T333 W342F252-L329 HydrophobicContact CD1-CD2 3.55Å; F252-L329 HydrophobicContact CD2-CD2 4.19Å; F252-L329 HydrophobicContact CE1-CD2 3.18Å; F252-L329 HydrophobicContact CE2-CD2 3.85Å; F252-L329 HydrophobicContact CG-CD2 4.06Å; F252-L329 HydrophobicContact CZ-CD2 3.36Å; L314-L329 HydrophobicContact CD1-CD2 3.82Å; L325-L329 HydrophobicContact CD1-CD1 3.53Å; L325-L329 HydrophobicContact CD1-CG 3.96Å; L325-L329 HydrophobicContact CD2-CD1 4.5Å; L325-L329 HydrophobicContact CG-CD1 3.57Å; L325-L329 HydrophobicContact CG-CG 4.43Å; L325-L329 VanDerWaalsContact O-CB 3.25Å; L325-L329 WeakPolarHBondContact O-CB 3.48Å; L325-L329 VanDerWaalsContact O-CD1 3.22Å; L325-L329 WeakPolarHBondContact O-CD1 3.34Å; L325-L329 WeakPolarHBondContact O-CG 3.48Å; L325-L329 PolarHBondContact O-N 3.36Å; N327-L329 VanDerWaalsContact C-N 3.28Å; N327-L329 PolarHBondContact O-N 3.42Å; L329-I332 HydrophobicContact CD2-CD1 4.38Å; L329-T333 WeakPolarHBondContact O-CB 3.34Å; L329-T333 WeakPolarHBondContact O-CG2 3.35Å; L329-T333 PolarHBondContact O-N 2.99Å; L329-T333 PolarHBondContact O-OG1 2.99Å; L329-W342 HydrophobicContact CD1-CH2 3.59Å; L329-W342 HydrophobicContact CD1-CZ2 3.56Å; L329-W342 HydrophobicContact CD2-CH2 4.26Å; L329-W342 HydrophobicContact CG-CH2 4.46Å; L329-W342 HydrophobicContact CG-CZ2 4.48Å
330Y61.7Low66.6Low111 Ų11149.3 Ų49.344%0.43526%0.255SS..Hα-helixtrans-65.7-43.5166.6171.9-127.6000111.3C326 N327 D328 I332 G334 I335 P336 I337C326-Y330 PolarHBondContact O-N 2.89Å; C326-Y330 VanDerWaalsContact O-N 3.07Å; N327-Y330 WeakPolarHBondContact O-CB 3.39Å; N327-Y330 PolarHBondContact O-N 3.03Å; D328-Y330 VanDerWaalsContact C-N 3.35Å; D328-Y330 PolarHBondContact O-N 3.45Å; Y330-I332 PolarHBondContact O-N 3.46Å; Y330-G334 VanDerWaalsContact O-CA 3.29Å; Y330-G334 WeakPolarHBondContact O-CA 3.32Å; Y330-G334 PolarHBondContact O-N 2.87Å; Y330-I335 WeakPolarHBondContact CD2-O 3.46Å; Y330-P336 HydrophobicContact CE2-CB 4.44Å; Y330-P336 HydrophobicContact CE2-CG 4.34Å; Y330-I337 HydrophobicContact CG-CG1 4.43Å
331R51.9Low66.5Low172 Ų17251.9 Ų51.965%0.64927%0.267SS*.Hα-helixtrans-60.9-40.6173.9-66.9170.6177.6-95.8-5.5112.4N327 D328N327-R331 WeakPolarHBondContact O-CG 3.25Å; N327-R331 PolarHBondContact O-N 3.37Å; D328-R331 CarbonylContact O-C 3.53Å; D328-R331 WeakPolarHBondContact O-CA 3.16Å; D328-R331 WeakPolarHBondContact O-CB 3.26Å; D328-R331 PolarHBondContact O-N 3.26Å; D328-R331 VanDerWaalsContact O-N 3.14Å
332I53.9Low66.6Low42 Ų4246.7 Ų46.722%0.21525%0.246CC..Hα-helixtrans-73.1-39-178.5-68.7159.3000112.7F161 F252 L314 D328 L329 Y330F161-I332 HydrophobicContact CE1-CG1 4.17Å; F161-I332 HydrophobicContact CE2-CG1 4.48Å; F161-I332 HydrophobicContact CZ-CD1 3.98Å; F161-I332 HydrophobicContact CZ-CG1 3.6Å; F252-I332 HydrophobicContact CE1-CG2 4.25Å; F252-I332 HydrophobicContact CZ-CG2 4.42Å; L314-I332 HydrophobicContact CD2-CD1 4.11Å; D328-I332 WeakPolarHBondContact O-CB 3.44Å; D328-I332 WeakPolarHBondContact O-CD1 3.25Å; D328-I332 WeakPolarHBondContact O-CG1 3.4Å; D328-I332 PolarHBondContact O-N 3.01Å; L329-I332 HydrophobicContact CD2-CD1 4.38Å; Y330-I332 PolarHBondContact O-N 3.46Å
333T59.2Low66.6Low37 Ų3748.9 Ų48.923%0.22726%0.262CS..Hα-helixtrans-109.6-18.2-17065.10000115.2V250 F252 L329 I335 L436V250-T333 HydrophobicContact CG1-CG2 4.25Å; F252-T333 HydrophobicContact CE2-CG2 4.12Å; F252-T333 HydrophobicContact CZ-CG2 3.55Å; L329-T333 WeakPolarHBondContact O-CB 3.34Å; L329-T333 WeakPolarHBondContact O-CG2 3.35Å; L329-T333 PolarHBondContact O-N 2.99Å; L329-T333 PolarHBondContact O-OG1 2.99Å; T333-I335 PolarHBondContact O-N 3.36Å; T333-I335 WeakPolarHBondContact OG1-CB 3.3Å; T333-I335 PolarHBondContact OG1-N 3.09Å; T333-I335 VanDerWaalsContact OG1-N 3.13Å; T333-L436 HydrophobicContact CG2-CD2 4.12Å
334G53.5Low66.9Low45 Ų4549.7 Ų49.746%0.46426%0.263SS..  trans66.55.6-167.600000114.7Y330 P336Y330-G334 VanDerWaalsContact O-CA 3.29Å; Y330-G334 WeakPolarHBondContact O-CA 3.32Å; Y330-G334 PolarHBondContact O-N 2.87Å; G334-P336 VanDerWaalsContact O-CD 3.22Å; G334-P336 WeakPolarHBondContact O-CD 3.26Å
335I63.3Low66.8Low21 Ų2149 Ų4911%0.10826%0.26CS..  trans-80.2110.2177.5-60.3172.6000108.5V250 Y330 T333 I337 S339 Q340 L436 A438V250-I335 HydrophobicContact CG2-CD1 4.15Å; Y330-I335 WeakPolarHBondContact CD2-O 3.46Å; T333-I335 PolarHBondContact O-N 3.36Å; T333-I335 WeakPolarHBondContact OG1-CB 3.3Å; T333-I335 PolarHBondContact OG1-N 3.09Å; T333-I335 VanDerWaalsContact OG1-N 3.13Å; I335-I337 PolarHBondContact O-N 2.6Å; I335-S339 WeakPolarHBondContact CG2-OG 3.36Å; I335-Q340 HydrophobicContact CB-CG 4.36Å; I335-Q340 HydrophobicContact CG2-CG 3.79Å; I335-Q340 PolarHBondContact O-NE2 3.32Å; I335-Q340 VanDerWaalsContact O-NE2 3.09Å; I335-L436 HydrophobicContact CD1-CD2 3.85Å; I335-L436 HydrophobicContact CD1-CG 3.96Å; I335-A438 HydrophobicContact CD1-CB 4.27Å; I335-A438 HydrophobicContact CG1-CB 4.35Å; I335-A438 HydrophobicContact CG2-CB 3.98Å
336P61.7Low65.5Low59 Ų5953.7 Ų53.738%0.38329%0.293SS..  trans-55.3139.9-177.4-25.935.6000111.5Y330 G334 T338 S339 Q340Y330-P336 HydrophobicContact CE2-CB 4.44Å; Y330-P336 HydrophobicContact CE2-CG 4.34Å; G334-P336 VanDerWaalsContact O-CD 3.22Å; G334-P336 WeakPolarHBondContact O-CD 3.26Å; P336-T338 PolarHBondContact O-N 2.85Å; P336-S339 WeakPolarHBondContact CD-OG 3.44Å; P336-S339 PolarHBondContact O-N 2.85Å; P336-S339 PolarHBondContact O-OG 2.88Å; P336-Q340 PolarHBondContact O-N 2.91Å
337I66.8Low63.8Low42 Ų4261.8 Ų61.822%0.21533%0.328CS..G310 helixtrans-53-36.7-173.5-57.2174.5000111.8C326 N327 Y330 I335 S339 Q340 H379C326-I337 HydrophobicContact CB-CG2 4.27Å; N327-I337 WeakPolarHBondContact OD1-CD1 3.49Å; Y330-I337 HydrophobicContact CG-CG1 4.43Å; I335-I337 PolarHBondContact O-N 2.6Å; I337-S339 PolarHBondContact O-N 2.82Å; I337-Q340 PolarHBondContact O-N 2.87Å; I337-H379 HydrophobicContact CG2-CB 4.22Å
338T65.1Low62.2Low84 Ų8466.8 Ų66.852%0.51535%0.349SS..G310 helixtrans-68-10.9177.254.60000115.4P336 Y380 P381P336-T338 PolarHBondContact O-N 2.85Å; T338-Y380 WeakPolarHBondContact O-CD2 3.11Å; T338-Y380 WeakPolarHBondContact O-CE2 3.25Å; T338-P381 HydrophobicContact CG2-CG 3.99Å
339S65.2Low60.5Low21 Ų2170 Ų7015%0.14737%0.366CS..G310 helixtrans-116.50.3176.871.90000113.8I335 P336 I337 L341 S439I335-S339 WeakPolarHBondContact CG2-OG 3.36Å; P336-S339 WeakPolarHBondContact CD-OG 3.44Å; P336-S339 PolarHBondContact O-N 2.85Å; P336-S339 PolarHBondContact O-OG 2.88Å; I337-S339 PolarHBondContact O-N 2.82Å; S339-L341 PolarHBondContact O-N 3.32Å; S339-S439 WeakPolarHBondContact CA-OG 3.47Å; S339-S439 WeakPolarHBondContact CB-OG 3.39Å; S339-S439 PolarHBondContact O-N 3.47Å
340Q74Confident58.6Low4 Ų482.2 Ų82.22%0.01941%0.412CS..EExtended strand (participates in β ladder)trans-70.8117.8176.2-66.8-176.215.700110.8C326 I335 P336 I337 L436C326-Q340 PolarHBondContact O-NE2 3.21Å; I335-Q340 HydrophobicContact CB-CG 4.36Å; I335-Q340 HydrophobicContact CG2-CG 3.79Å; I335-Q340 PolarHBondContact O-NE2 3.32Å; I335-Q340 VanDerWaalsContact O-NE2 3.09Å; P336-Q340 PolarHBondContact O-N 2.91Å; I337-Q340 PolarHBondContact O-N 2.87Å; Q340-L436 HydrophobicContact CB-CD1 3.49Å; Q340-L436 VanDerWaalsContact CB-CD1 3.49Å; Q340-L436 HydrophobicContact CG-CD1 3.75Å; Q340-L436 HydrophobicContact CG-CD2 4.4Å
341L77.5Confident56.8Low77 Ų7782.8 Ų82.840%0.40342%0.423SS..EExtended strand (participates in β ladder)trans-114.9118.2172.4-132.682.2000110.8S339 T437S339-L341 PolarHBondContact O-N 3.32Å; L341-T437 WeakPolarHBondContact CB-O 3.49Å; L341-T437 PolarHBondContact N-O 2.95Å; L341-T437 PolarHBondContact O-N 3.34Å; L341-T437 PolarHBondContact O-OG1 3.12Å; L341-T437 VanDerWaalsContact O-OG1 3.12Å
342W82.6Confident55.7Low10 Ų1084.9 Ų84.94%0.03843%0.431CS..EExtended strand (participates in β ladder)trans-99.6142.5-172.9-71.192.5000112.9F252 L329 V373 L376 N377 L434 C435 L436F252-W342 AromaticContact CD2-CH2 3.68Å; F252-W342 HydrophobicContact CD2-CH2 3.68Å; F252-W342 AromaticContact CD2-CZ3 3.91Å; F252-W342 HydrophobicContact CD2-CZ3 3.91Å; F252-W342 HydrophobicContact CE2-CH2 4.05Å; F252-W342 HydrophobicContact CG-CH2 4.35Å; L329-W342 HydrophobicContact CD1-CH2 3.59Å; L329-W342 HydrophobicContact CD1-CZ2 3.56Å; L329-W342 HydrophobicContact CD2-CH2 4.26Å; L329-W342 HydrophobicContact CG-CH2 4.46Å; L329-W342 HydrophobicContact CG-CZ2 4.48Å; W342-V373 HydrophobicContact CB-CG1 4.28Å; W342-V373 WeakPolarHBondContact O-CG1 3.42Å; W342-L376 HydrophobicContact CB-CB 4.07Å; W342-L376 HydrophobicContact CD2-CB 4.18Å; W342-L376 HydrophobicContact CD2-CD1 3.99Å; W342-L376 HydrophobicContact CE3-CD1 4.11Å; W342-L376 HydrophobicContact CG-CB 3.66Å; W342-L376 HydrophobicContact CG-CD1 4.22Å; W342-L376 HydrophobicContact CG-CG 4.48Å; W342-N377 PolarHBondContact N-OD1 3.44Å; W342-N377 PolarHBondContact O-ND2 3.24Å; W342-L434 HydrophobicContact CE3-CB 3.92Å; W342-L434 HydrophobicContact CE3-CD1 4.11Å; W342-L434 HydrophobicContact CZ3-CB 3.75Å; W342-L434 HydrophobicContact CZ3-CD1 4.11Å; W342-C435 CarbonylContact C-O 2.86Å; W342-C435 WeakPolarHBondContact CA-O 3.49Å; W342-L436 HydrophobicContact CD2-CB 4.41Å; W342-L436 HydrophobicContact CD2-CD1 4.35Å; W342-L436 HydrophobicContact CE3-CB 4.21Å; W342-L436 HydrophobicContact CH2-CB 3.71Å; W342-L436 HydrophobicContact CH2-CD2 4.14Å; W342-L436 HydrophobicContact CH2-CG 4.35Å; W342-L436 HydrophobicContact CZ2-CB 3.91Å; W342-L436 HydrophobicContact CZ2-CD1 3.91Å; W342-L436 HydrophobicContact CZ2-CD2 3.85Å; W342-L436 HydrophobicContact CZ2-CG 4.1Å; W342-L436 HydrophobicContact CZ3-CB 3.88Å
343S78.4Confident54.6Low47 Ų4790.1 Ų90.133%0.32946%0.459SS..EExtended strand (participates in β ladder)trans-152.2159.9174.264.90000112.8C435S343-C435 PolarHBondContact N-O 2.77Å; S343-C435 WeakPolarHBondContact O-CB 3.28Å; S343-C435 PolarHBondContact O-N 3.15Å; S343-C435 WeakPolarHBondContact OG-CB 3.21Å; S343-C435 PolarHBondContact OG-SG 3.17Å
344I78.7Confident53.1Low45 Ų4596.1 Ų96.123%0.23149%0.49CS..EExtended strand (participates in β ladder)trans-87.3135.9176-48.2166.4000109.5S346 L369 N370 V373I344-S346 PolarHBondContact O-N 2.73Å; I344-S346 VanDerWaalsContact O-N 3.1Å; I344-L369 HydrophobicContact CD1-CB 3.51Å; I344-L369 HydrophobicContact CG1-CB 4.04Å; I344-L369 HydrophobicContact CG2-CD1 4.03Å; I344-N370 VanDerWaalsContact CD1-OD1 3.28Å; I344-N370 WeakPolarHBondContact CD1-OD1 3.3Å; I344-V373 HydrophobicContact CG1-CB 4.47Å; I344-V373 HydrophobicContact CG1-CG2 3.81Å
345Q66.1Low51.9Low81 Ų81104 Ų10438%0.37951%0.512SS..  trans-71.4106.1174.5-163-17639.100111.6K347 N433Q345-K347 PolarHBondContact O-N 3.32Å; Q345-N433 HydrophobicContact CB-CB 4.32Å; Q345-N433 PolarHBondContact N-O 2.89Å
346S48.7Very low50.2Low105 Ų105107.8 Ų107.873%0.73454%0.54SS*.  trans-66.4127.9179.7-175.20000112.5I344 H348I344-S346 PolarHBondContact O-N 2.73Å; I344-S346 VanDerWaalsContact O-N 3.1Å; S346-H348 VanDerWaalsContact C-N 3.32Å; S346-H348 PolarHBondContact O-N 3.33Å
347K39.1Very low48.7Very low170 Ų170111.7 Ų111.774%0.73956%0.556SS**  trans-71.673.8-177.4-72.1-174.4177.4177.30113.1Q345 N349Q345-K347 PolarHBondContact O-N 3.32Å; K347-N349 PolarHBondContact O-N 3.41Å; K347-N349 VanDerWaalsContact O-N 3.1Å
348H30.5Very low47.1Very low176 Ų176113.5 Ų113.582%0.81557%0.573SS**  trans-83.485.9173.4-148.864.6000112.7S346S346-H348 VanDerWaalsContact C-N 3.32Å; S346-H348 PolarHBondContact O-N 3.33Å
349N24.5Very low45.5Very low120 Ų120116.3 Ų116.364%0.64259%0.589SS**  trans61.551.8150.5-15816.9000118.2K347 N351K347-N349 PolarHBondContact O-N 3.41Å; K347-N349 VanDerWaalsContact O-N 3.1Å; N349-N351 VanDerWaalsContact C-N 3.3Å; N349-N351 PolarHBondContact O-N 3.41Å; N349-N351 VanDerWaalsContact O-N 3.07Å; N349-N351 WeakPolarHBondContact OD1-CB 3.27Å
350R27.3Very low44.1Very low258 Ų258121.2 Ų121.297%0.97461%0.614SS**  trans-73.287153.7-91.2-171173.6171.2-0109.4
351N24.7Very low42.6Very low122 Ų122125.2 Ų125.265%0.65263%0.633SS**  trans-103141.1173.3-168.8-8.5000110.4N349N349-N351 VanDerWaalsContact C-N 3.3Å; N349-N351 PolarHBondContact O-N 3.41Å; N349-N351 VanDerWaalsContact O-N 3.07Å; N349-N351 WeakPolarHBondContact OD1-CB 3.27Å
352R28.5Very low41.6Very low217 Ų217127.9 Ų127.982%0.81964%0.643SS**SBendtrans71.1132.5-175.8-56.7-176.1173.4177.6-3.3115.8
353N30.4Very low40.8Very low151 Ų151131.8 Ų131.881%0.80766%0.664SS**  trans61.868.2159.3-55.88000117.1
354N29.1Very low40.7Very low163 Ų163130.2 Ų130.287%0.87265%0.652SS**  -154142.6124.7-100.8-12.2000110
355K27.6Very low40.5Very low212 Ų212131 Ų13192%0.92266%0.662SS**  trans-128.460.8-168.6-161.7-168.4-176.5-168.10110.7
356S27.7Very low40.8Very low100 Ų100132.7 Ų132.770%0.69967%0.674SS**  trans-15794.2179.354.10000110.2
357L29.7Very low42.1Very low140 Ų140135.5 Ų135.573%0.73368%0.675SS**  trans-122.6135.2149-81.1170.3000105.3
358S32.8Very low44.1Very low80 Ų80128.7 Ų128.756%0.55965%0.648SS**  trans-65.7144.3-174-350000110.1N360 E361S358-N360 PolarHBondContact O-N 3.02Å; S358-E361 WeakPolarHBondContact CB-OE1 3.47Å; S358-E361 PolarHBondContact OG-OE1 3.32Å
359V32.4Very low46.5Very low143 Ų143120.8 Ų120.887%0.86761%0.611SS**THydrogen-bonded Turntrans-77.480.8174.9-175.60000109
360N36.1Very low49.1Very low124 Ų124118.8 Ų118.866%0.66360%0.601SS**THydrogen-bonded Turntrans179.1-15148.7-92.4-10.4000113.4S358 Q362S358-N360 PolarHBondContact O-N 3.02Å; N360-Q362 PolarHBondContact O-N 2.96Å
361E43.1Very low51.6Low89 Ų89109 Ų10942%0.41657%0.572SS.*  trans-60.9124.7173.8-67.7157.8-13600111S358 V431S358-E361 WeakPolarHBondContact CB-OE1 3.47Å; S358-E361 PolarHBondContact OG-OE1 3.32Å; E361-V431 HydrophobicContact CB-CG2 4.35Å; E361-V431 HydrophobicContact CG-CG2 4.25Å
362Q55.8Low54.4Low132 Ų132103.2 Ų103.262%0.61754%0.541SS*.BIsolated β-bridgetrans-108.3147.3172.8-63.2-165.925.900110.7N360 G429 D430 V431N360-Q362 PolarHBondContact O-N 2.96Å; Q362-G429 PolarHBondContact N-O 3.43Å; Q362-D430 CarbonylContact O-C 3.59Å; Q362-D430 WeakPolarHBondContact O-CA 3.4Å; Q362-V431 PolarHBondContact O-N 3.15Å
363I66.4Low57Low93 Ų9393.4 Ų93.448%0.47751%0.505SS..PPolyproline II helixtrans-102.8121.7172.5-60.8177.9000106.2
364P75.3Confident59.4Low13 Ų1391 Ų918%0.08449%0.492CS..PPolyproline II helixtrans-56.8160-177.9-24.330.5000113.2V368 L369 L426 D430 V431P364-V368 HydrophobicContact CB-CB 4.07Å; P364-V368 HydrophobicContact CB-CG1 3.78Å; P364-L369 HydrophobicContact CB-CD2 3.83Å; P364-L369 HydrophobicContact CB-CG 4.02Å; P364-L369 HydrophobicContact CG-CD2 3.89Å; P364-L426 HydrophobicContact CB-CD2 4.13Å; P364-L426 HydrophobicContact CG-CD2 3.5Å; P364-D430 HydrophobicContact CG-CB 3.79Å; P364-V431 WeakPolarHBondContact CD-O 3.4Å
365S73.7Confident61.8Low62 Ų6284.3 Ų84.343%0.43446%0.456SS..PPolyproline II helixtrans-62.1150.7172.679.60000110.5E367 V368 L369S365-E367 PolarHBondContact O-N 3.12Å; S365-E367 PolarHBondContact OG-N 3.19Å; S365-V368 PolarHBondContact O-N 3.37Å; S365-V368 VanDerWaalsContact O-N 3.1Å; S365-V368 PolarHBondContact OG-N 2.97Å; S365-L369 WeakPolarHBondContact O-CG 3.28Å; S365-L369 PolarHBondContact O-N 3.31Å
366N73.4Confident64.4Low116 Ų11674.4 Ų74.462%0.6241%0.413SS*.Hα-helixtrans-58.6-22.7174.3-70.4-47.4000112.2N370N366-N370 WeakPolarHBondContact O-CB 3.36Å; N366-N370 PolarHBondContact O-N 3.21Å; N366-N370 PolarHBondContact O-ND2 2.85Å
367E75.7Confident66.9Low165 Ų16571.6 Ų71.677%0.77139%0.39SS*.Hα-helixtrans-71.3-45.3175.8-64.6172.5167.700111.3S365 N370 S371S365-E367 PolarHBondContact O-N 3.12Å; S365-E367 PolarHBondContact OG-N 3.19Å; E367-N370 PolarHBondContact O-N 3.17Å; E367-S371 WeakPolarHBondContact O-CB 3.38Å; E367-S371 PolarHBondContact O-N 3.15Å
368V81.4Confident68.7Low27 Ų2771.2 Ų71.216%0.16438%0.384CS..Hα-helixtrans-61.7-46.2172.5167.60000110.9P364 S365 N370 S371 L372 L426P364-V368 HydrophobicContact CB-CB 4.07Å; P364-V368 HydrophobicContact CB-CG1 3.78Å; S365-V368 PolarHBondContact O-N 3.37Å; S365-V368 VanDerWaalsContact O-N 3.1Å; S365-V368 PolarHBondContact OG-N 2.97Å; V368-N370 PolarHBondContact O-N 2.98Å; V368-S371 WeakPolarHBondContact O-CB 3.43Å; V368-S371 PolarHBondContact O-N 3.23Å; V368-L372 PolarHBondContact O-N 3.48Å; V368-L426 HydrophobicContact CG1-CD2 3.77Å; V368-L426 HydrophobicContact CG1-CG 4.02Å
369L80.2Confident69.9Low9 Ų970.8 Ų70.85%0.04737%0.373CS..Hα-helixtrans-64.1-38.1178.3-62-179.5000112.6I344 P364 S365 V373 C432I344-L369 HydrophobicContact CD1-CB 3.51Å; I344-L369 HydrophobicContact CG1-CB 4.04Å; I344-L369 HydrophobicContact CG2-CD1 4.03Å; P364-L369 HydrophobicContact CB-CD2 3.83Å; P364-L369 HydrophobicContact CB-CG 4.02Å; P364-L369 HydrophobicContact CG-CD2 3.89Å; S365-L369 WeakPolarHBondContact O-CG 3.28Å; S365-L369 PolarHBondContact O-N 3.31Å; L369-V373 WeakPolarHBondContact O-CB 3.37Å; L369-V373 WeakPolarHBondContact O-CG2 3.49Å; L369-V373 PolarHBondContact O-N 2.99Å; L369-C432 HydrophobicContact CD2-CB 3.44Å; L369-C432 VanDerWaalsContact CD2-CB 3.44Å
370N78.9Confident70.1Confident78 Ų7868.6 Ų68.642%0.41735%0.35SS..Hα-helixtrans-70.1-34.9174.2-77.7-42.4000111.7I344 N366 E367 V368 N374I344-N370 VanDerWaalsContact CD1-OD1 3.28Å; I344-N370 WeakPolarHBondContact CD1-OD1 3.3Å; N366-N370 WeakPolarHBondContact O-CB 3.36Å; N366-N370 PolarHBondContact O-N 3.21Å; N366-N370 PolarHBondContact O-ND2 2.85Å; E367-N370 PolarHBondContact O-N 3.17Å; V368-N370 PolarHBondContact O-N 2.98Å; N370-N374 VanDerWaalsContact O-CB 3.27Å; N370-N374 WeakPolarHBondContact O-CB 3.41Å; N370-N374 PolarHBondContact O-N 3.18Å; N370-N374 PolarHBondContact O-ND2 3.31Å; N370-N374 VanDerWaalsContact O-ND2 3.15Å
371S79.9Confident70Confident52 Ų5266.5 Ų66.536%0.36434%0.343SS..Hα-helixtrans-61.9-50.6174.2-176.20000111E367 V368 V373 N374 E375E367-S371 WeakPolarHBondContact O-CB 3.38Å; E367-S371 PolarHBondContact O-N 3.15Å; V368-S371 WeakPolarHBondContact O-CB 3.43Å; V368-S371 PolarHBondContact O-N 3.23Å; S371-V373 PolarHBondContact O-N 2.86Å; S371-N374 PolarHBondContact O-N 2.88Å; S371-E375 PolarHBondContact O-N 3.47Å
372L83.5Confident69.2Low1 Ų170.3 Ų70.31%0.00536%0.361CS..Hα-helixtrans-57.6-48.4175.6-178.868.9000112.5I322 V368 N374 E375 L376 L421 C424 L426 L434I322-L372 HydrophobicContact CD1-CD1 4.1Å; V368-L372 PolarHBondContact O-N 3.48Å; L372-N374 VanDerWaalsContact C-N 3.33Å; L372-N374 PolarHBondContact O-N 2.98Å; L372-E375 PolarHBondContact O-N 3.39Å; L372-L376 HydrophobicContact CD1-CD1 4.27Å; L372-L376 HydrophobicContact CG-CD1 3.97Å; L372-L376 WeakPolarHBondContact O-CB 3.35Å; L372-L376 VanDerWaalsContact O-CG 3.3Å; L372-L376 WeakPolarHBondContact O-CG 3.37Å; L372-L376 PolarHBondContact O-N 3.01Å; L372-L421 HydrophobicContact CD1-CD2 3.8Å; L372-C424 HydrophobicContact CB-CB 4.36Å; L372-C424 HydrophobicContact CD1-CB 4.36Å; L372-L426 HydrophobicContact CD1-CD1 4.2Å; L372-L426 HydrophobicContact CD2-CD1 3.97Å; L372-L434 HydrophobicContact CD2-CD1 3.85Å; L372-L434 HydrophobicContact CD2-CD2 4.31Å; L372-L434 HydrophobicContact CG-CD1 4.41Å
373V83.1Confident67.8Low11 Ų1171.5 Ų71.57%0.06737%0.367CS..Hα-helixtrans-68.1-31.5178.8164.50000112.3W342 I344 L369 S371 N377 L434W342-V373 HydrophobicContact CB-CG1 4.28Å; W342-V373 WeakPolarHBondContact O-CG1 3.42Å; I344-V373 HydrophobicContact CG1-CB 4.47Å; I344-V373 HydrophobicContact CG1-CG2 3.81Å; L369-V373 WeakPolarHBondContact O-CB 3.37Å; L369-V373 WeakPolarHBondContact O-CG2 3.49Å; L369-V373 PolarHBondContact O-N 2.99Å; S371-V373 PolarHBondContact O-N 2.86Å; V373-N377 WeakPolarHBondContact O-CB 3.44Å; V373-N377 PolarHBondContact O-N 2.93Å; V373-N377 PolarHBondContact O-ND2 2.8Å; V373-L434 HydrophobicContact CG2-CD2 3.74Å
374N80.7Confident65.7Low100 Ų10072.6 Ų72.654%0.53538%0.383SS..Hα-helixtrans-65.5-48.6171.8-74.9-25.1000110.6N370 S371 L372 N377 Q378N370-N374 VanDerWaalsContact O-CB 3.27Å; N370-N374 WeakPolarHBondContact O-CB 3.41Å; N370-N374 PolarHBondContact O-N 3.18Å; N370-N374 PolarHBondContact O-ND2 3.31Å; N370-N374 VanDerWaalsContact O-ND2 3.15Å; S371-N374 PolarHBondContact O-N 2.88Å; L372-N374 VanDerWaalsContact C-N 3.33Å; L372-N374 PolarHBondContact O-N 2.98Å; N374-N377 CarbonylContact O-C 3.6Å; N374-N377 WeakPolarHBondContact O-CA 3.48Å; N374-N377 PolarHBondContact O-N 3.43Å; N374-N377 VanDerWaalsContact O-N 3.08Å; N374-Q378 VanDerWaalsContact O-CG 3.26Å; N374-Q378 WeakPolarHBondContact O-CG 3.22Å; N374-Q378 PolarHBondContact O-N 2.91Å
375E80.7Confident63.2Low24 Ų2479.7 Ų79.711%0.11241%0.413CS..Hα-helixtrans-65.7-42.3-177.4-155.969.2-179.500112.5I322 S371 L372 N377 Q378 L419I322-E375 HydrophobicContact CD1-CB 4.33Å; I322-E375 HydrophobicContact CD1-CG 4.28Å; I322-E375 HydrophobicContact CG2-CG 4.42Å; S371-E375 PolarHBondContact O-N 3.47Å; L372-E375 PolarHBondContact O-N 3.39Å; E375-N377 PolarHBondContact O-N 2.99Å; E375-Q378 WeakPolarHBondContact O-CB 3.27Å; E375-Q378 PolarHBondContact O-N 3.38Å; E375-Q378 PolarHBondContact OE2-NE2 2.91Å; E375-L419 HydrophobicContact CG-CD2 3.72Å
376L81.5Confident60.6Low4 Ų486.6 Ų86.62%0.02144%0.435CS..Hα-helixtrans-58.3-31.8171.6-72.4166.9000112.7I322 L325 W342 L372 L434I322-L376 HydrophobicContact CG2-CD2 3.75Å; I322-L376 HydrophobicContact CG2-CG 4.15Å; L325-L376 HydrophobicContact CD2-CD2 4.47Å; W342-L376 HydrophobicContact CB-CB 4.07Å; W342-L376 HydrophobicContact CD2-CB 4.18Å; W342-L376 HydrophobicContact CD2-CD1 3.99Å; W342-L376 HydrophobicContact CE3-CD1 4.11Å; W342-L376 HydrophobicContact CG-CB 3.66Å; W342-L376 HydrophobicContact CG-CD1 4.22Å; W342-L376 HydrophobicContact CG-CG 4.48Å; L372-L376 HydrophobicContact CD1-CD1 4.27Å; L372-L376 HydrophobicContact CG-CD1 3.97Å; L372-L376 WeakPolarHBondContact O-CB 3.35Å; L372-L376 VanDerWaalsContact O-CG 3.3Å; L372-L376 WeakPolarHBondContact O-CG 3.37Å; L372-L376 PolarHBondContact O-N 3.01Å; L376-L434 HydrophobicContact CD1-CD1 3.63Å
377N79.8Confident58.1Low40 Ų4087.4 Ų87.421%0.21444%0.444CS..Hα-helixtrans-85.5-16.2173.3-76.4-58.2000113.7W342 V373 N374 E375 H379 Y380W342-N377 PolarHBondContact N-OD1 3.44Å; W342-N377 PolarHBondContact O-ND2 3.24Å; V373-N377 WeakPolarHBondContact O-CB 3.44Å; V373-N377 PolarHBondContact O-N 2.93Å; V373-N377 PolarHBondContact O-ND2 2.8Å; N374-N377 CarbonylContact O-C 3.6Å; N374-N377 WeakPolarHBondContact O-CA 3.48Å; N374-N377 PolarHBondContact O-N 3.43Å; N374-N377 VanDerWaalsContact O-N 3.08Å; E375-N377 PolarHBondContact O-N 2.99Å; N377-H379 PolarHBondContact O-N 3.17Å; N377-Y380 VanDerWaalsContact O-CB 3.24Å; N377-Y380 WeakPolarHBondContact O-CB 3.36Å; N377-Y380 PolarHBondContact O-N 3Å
378Q68.7Low55.5Low132 Ų13289 Ų8962%0.61745%0.452SS*.Hα-helixtrans-69.4-20.7179.2-71.8-142.487.900112.8N374 E375 Y380N374-Q378 VanDerWaalsContact O-CG 3.26Å; N374-Q378 WeakPolarHBondContact O-CG 3.22Å; N374-Q378 PolarHBondContact O-N 2.91Å; E375-Q378 WeakPolarHBondContact O-CB 3.27Å; E375-Q378 PolarHBondContact O-N 3.38Å; E375-Q378 PolarHBondContact OE2-NE2 2.91Å; Q378-Y380 PolarHBondContact O-N 3.07Å; Q378-Y380 VanDerWaalsContact O-N 3.13Å
379H56.7Low52.6Low71 Ų7192.9 Ų92.933%0.32948%0.48SS..THydrogen-bonded Turntrans-66.8-3.3171.2-81.2-77.5000114.2I337 N377 P381I337-H379 HydrophobicContact CG2-CB 4.22Å; N377-H379 PolarHBondContact O-N 3.17Å; H379-P381 VanDerWaalsContact O-CD 3.29Å; H379-P381 WeakPolarHBondContact O-CD 3.38Å
380Y37.6Very low49.7Very low97 Ų9799.4 Ų99.438%0.3851%0.514SS..SBendtrans-75115.2173.8-166-89.5000112.3T338 N377 Q378 Q382T338-Y380 WeakPolarHBondContact O-CD2 3.11Å; T338-Y380 WeakPolarHBondContact O-CE2 3.25Å; N377-Y380 VanDerWaalsContact O-CB 3.24Å; N377-Y380 WeakPolarHBondContact O-CB 3.36Å; N377-Y380 PolarHBondContact O-N 3Å; Q378-Y380 PolarHBondContact O-N 3.07Å; Q378-Y380 VanDerWaalsContact O-N 3.13Å; Y380-Q382 PolarHBondContact O-N 2.82Å
381P33.2Very low47Very low80 Ų80103.5 Ų103.552%0.51954%0.535SS..  trans-70.8102.4-177.9-18.133.1000112T338 H379 Q383T338-P381 HydrophobicContact CG2-CG 3.99Å; H379-P381 VanDerWaalsContact O-CD 3.29Å; H379-P381 WeakPolarHBondContact O-CD 3.38Å; P381-Q383 PolarHBondContact O-N 2.92Å
382Q27.7Very low44.3Very low170 Ų170105.7 Ų105.779%0.79455%0.55SS**  trans-6099174.4-72.7-77.9-8.800111Y380 S384Y380-Q382 PolarHBondContact O-N 2.82Å; Q382-S384 PolarHBondContact O-N 2.89Å
383Q24.9Very low41.2Very low156 Ų156115.2 Ų115.273%0.72959%0.592SS**  trans-59.2125.7172.7-72.6-169.6-500110.1P381 F385P381-Q383 PolarHBondContact O-N 2.92Å; Q383-F385 VanDerWaalsContact C-N 3.25Å; Q383-F385 HydrophobicContact CB-CD2 4.2Å; Q383-F385 HydrophobicContact CB-CE2 4.13Å; Q383-F385 PolarHBondContact O-N 2.97Å
384S22.3Very low38.4Very low116 Ų116123 Ų12381%0.81163%0.627SS**  trans-80.356.5-160.652.50000114.9Q382 K386Q382-S384 PolarHBondContact O-N 2.89Å; S384-K386 PolarHBondContact O-N 2.93Å
385F23.9Very low35.7Very low163 Ų163122.2 Ų122.272%0.71563%0.629SS**  trans-70.794.3171.6-73.8-74.5000111.5Q383 T387Q383-F385 VanDerWaalsContact C-N 3.25Å; Q383-F385 HydrophobicContact CB-CD2 4.2Å; Q383-F385 HydrophobicContact CB-CE2 4.13Å; Q383-F385 PolarHBondContact O-N 2.97Å; F385-T387 PolarHBondContact O-N 2.84Å
386K19Very low32.8Very low206 Ų206128.1 Ų128.190%0.89666%0.662SS**  trans-60.697.7172-71.8179177.1174.70111.5S384S384-K386 PolarHBondContact O-N 2.93Å
387T21.5Very low30Very low133 Ų133135 Ų13582%0.81670%0.703SS**  trans-122.7136.4162.446.70000110.3F385F385-T387 PolarHBondContact O-N 2.84Å
388Q20.3Very low27.2Very low199 Ų199137.1 Ų137.193%0.9373%0.726SS**  trans-104.5116.8-168.9-65.4171.8-20.900111.5
389S21.1Very low24.9Very low109 Ų109136.2 Ų136.276%0.76274%0.735SS**  trans-160.1122.8154.2-161.20000106.8
390L18.6Very low23.2Very low146 Ų146139.4 Ų139.476%0.76476%0.759SS**  63.8123.752-73.8169.3000114.5
391L22.1Very low22.3Very low163 Ų163140.8 Ų140.885%0.85378%0.778SS**  trans65.8141.4-179.6-75.566.7000114.9
392S23.1Very low22Very low98 Ų98143.9 Ų143.969%0.68579%0.789SS**  cis-153.9125.4-3.347.30000109.9
393K19.6Very low21.7Very low202 Ų202142.9 Ų142.988%0.87879%0.789SS**  44.288.595.4-77-165.2176-175.30116.4
394H24.5Very low21.5Very low175 Ų175140.9 Ų140.981%0.8179%0.787SS**  trans-160.5106.6146.8-94.9-69.2000106.7
395S22.1Very low21.6Very low83 Ų83143.2 Ų143.258%0.5879%0.791SS**  65.6128.593.8670000114.8
396N20.6Very low21.6Very low148 Ų148142.2 Ų142.279%0.79179%0.793SS**  cis-165174.52.6-94.5-17.1000109.5
397V22.8Very low21.8Very low148 Ų148139.7 Ų139.790%0.89779%0.789SS**  trans74.9134.8166.2-169.30000114.8
398A22Very low22.1Very low84 Ų84140.8 Ų140.869%0.69479%0.79SS**  cis-124.2153.8-5.600000111.1
399S19.5Very low22.3Very low113 Ų113138.1 Ų138.179%0.7979%0.787SS**  trans-112.1117.4171.6-56.90000110
400T21Very low22.6Very low138 Ų138136.7 Ų136.785%0.84778%0.782SS**  trans-105.484.4170.1-48.20000108.4I402T400-I402 PolarHBondContact O-N 2.95Å
401T19.6Very low22.9Very low127 Ų127139.6 Ų139.678%0.77979%0.789SS**  trans-74.5118.3-179.745.50000111.6
402I25.4Very low23Very low145 Ų145141.4 Ų141.474%0.74479%0.792SS**  trans-128.6113.5154.2-63.7-176.2000108.8T400T400-I402 PolarHBondContact O-N 2.95Å
403N22.6Very low23.2Very low148 Ų148146.2 Ų146.279%0.79180%0.801SS**  trans38.6117.9154.8-57.3-3.8000120.5
404T20.8Very low23.9Very low114 Ų114141.2 Ų141.270%0.69979%0.792SS**  trans-43.4137.515148.50000113.8
405N24.3Very low24.6Very low166 Ų166137.9 Ų137.989%0.88879%0.788SS**  -135.5132.4128.7-86.5-32.6000106.4
406D22.6Very low25.8Very low141 Ų141139.6 Ų139.675%0.75479%0.787SS**  trans-84.4-177.6176.7-67.9-72.4000111.4
407D24.6Very low27.4Very low153 Ų153137.2 Ų137.282%0.81877%0.774SS**  trans68.368.5173.6-63.8-25000118.1
408D26Very low29.4Very low157 Ų157135.5 Ų135.584%0.8476%0.76SS**  trans-147.765141.1-143.8-19000113.6A410D408-A410 PolarHBondContact O-N 3.43Å; D408-A410 VanDerWaalsContact O-N 3.16Å
409V26.3Very low32.2Very low143 Ų143134 Ų13487%0.86774%0.739SS**  trans-87.572.8-177.3-172.60000111.6
410A26.2Very low35.2Very low79 Ų79129.4 Ų129.465%0.65371%0.707SS**SBendtrans179.875.814800000115.5D408D408-A410 PolarHBondContact O-N 3.43Å; D408-A410 VanDerWaalsContact O-N 3.16Å
411K26Very low38.1Very low207 Ų207122.9 Ų122.990%0.967%0.667SS**  trans18080.4146-99.6152-173.2177.40113.2
412Q24.5Very low41Very low200 Ų200119 Ų11994%0.93565%0.647SS**  trans-132.3102.7157.4-76.7-169.9-14.500110.1
413K26.4Very low43.8Very low200 Ų200116.9 Ų116.987%0.8764%0.638SS**  trans-137.7134.6162.4-82.5-169.3172.7-174.50107.7
414S35.2Very low46.5Very low97 Ų97110.1 Ų110.168%0.67860%0.602SS**  trans47.273.6168.9580000116.7
415S39.1Very low49.4Very low105 Ų105106.1 Ų106.173%0.73458%0.583SS**  trans-91.93.3158.354.60000113.4
416H47.3Very low52.1Low119 Ų11998.6 Ų98.655%0.55154%0.543SS*.G310 helixtrans-86.9-17.5-168.7-70.4-84.8000115.3N418H416-N418 PolarHBondContact O-N 3.33Å
417N52.9Low54.8Low97 Ų9798.7 Ų98.752%0.51954%0.537SS..G310 helixtrans-67.4-10.9-172.5-67.320.7000114.5S323S323-N417 WeakPolarHBondContact CB-O 3.19Å; S323-N417 PolarHBondContact OG-O 2.87Å
418N64.8Low57.1Low113 Ų11394.2 Ų94.260%0.60452%0.517SS*.G310 helixtrans-113.821.2-168-62.721.3000112.9Y321 H416Y321-N418 HydrophobicContact CD1-CB 4.48Å; Y321-N418 HydrophobicContact CE1-CB 4.18Å; H416-N418 PolarHBondContact O-N 3.33Å
419L80.2Confident59.1Low51 Ų5188.2 Ų88.227%0.26749%0.493SS..  trans-72.2130.8178.1-138.777.8000111.1I322 E375 D423I322-L419 HydrophobicContact CD1-CB 4.45Å; I322-L419 HydrophobicContact CD1-CD2 4.42Å; I322-L419 PolarHBondContact N-O 2.88Å; E375-L419 HydrophobicContact CG-CD2 3.72Å; L419-D423 HydrophobicContact CD1-CB 4.11Å; L419-D423 HydrophobicContact CG-CB 3.8Å
420T83.7Confident61.5Low17 Ų1781.9 Ų81.910%0.10445%0.454CS..BIsolated β-bridgetrans-99.4167.6179680000112.7D319 S320 Y321 A422 D423 C424D319-T420 WeakPolarHBondContact O-CG2 3.37Å; S320-T420 CarbonylContact O-C 3.29Å; S320-T420 VanDerWaalsContact O-CA 3.26Å; S320-T420 WeakPolarHBondContact O-CA 3.47Å; Y321-T420 HydrophobicContact CD1-CG2 3.88Å; Y321-T420 HydrophobicContact CE1-CG2 3.87Å; T420-A422 PolarHBondContact O-N 2.82Å; T420-A422 PolarHBondContact OG1-N 2.9Å; T420-D423 WeakPolarHBondContact CB-OD2 3.46Å; T420-D423 PolarHBondContact N-OD2 2.81Å; T420-D423 PolarHBondContact O-N 2.7Å; T420-D423 VanDerWaalsContact O-N 3.16Å; T420-D423 VanDerWaalsContact OG1-CG 3.26Å; T420-D423 PolarHBondContact OG1-N 3.11Å; T420-D423 PolarHBondContact OG1-OD2 3.4Å; T420-C424 PolarHBondContact O-N 2.89Å
421L81.4Confident63.7Low1 Ų179 Ų791%0.00543%0.428CS..THydrogen-bonded Turntrans-57.5-38.1171.1-65-178.9000112.1V256 L316 S320 I322 L325 L372 C424 G425 L426V256-L421 HydrophobicContact CG2-CD1 4.27Å; L316-L421 HydrophobicContact CB-CD1 3.72Å; L316-L421 HydrophobicContact CD1-CD1 3.94Å; S320-L421 PolarHBondContact O-N 3.35Å; I322-L421 HydrophobicContact CG1-CD2 4.23Å; L325-L421 HydrophobicContact CD2-CD2 4.12Å; L372-L421 HydrophobicContact CD1-CD2 3.8Å; L421-C424 PolarHBondContact O-N 3.42Å; L421-G425 PolarHBondContact O-N 2.96Å; L421-L426 HydrophobicContact CB-CB 4.42Å; L421-L426 HydrophobicContact CB-CD1 3.82Å; L421-L426 HydrophobicContact CD2-CD1 3.81Å; L421-L426 HydrophobicContact CG-CD1 4.26Å; L421-L426 WeakPolarHBondContact O-CB 3.48Å; L421-L426 PolarHBondContact O-N 2.89Å; L421-L426 VanDerWaalsContact O-N 3.15Å
422A80.5Confident66Low45 Ų4569.3 Ų69.337%0.37239%0.387SS..THydrogen-bonded Turntrans-64.1-37175.200000112.9C318 T420 C424 G425C318-A422 HydrophobicContact CB-CB 4.4Å; C318-A422 WeakPolarHBondContact O-CB 3.2Å; C318-A422 PolarHBondContact O-N 3.44Å; T420-A422 PolarHBondContact O-N 2.82Å; T420-A422 PolarHBondContact OG1-N 2.9Å; A422-C424 VanDerWaalsContact C-N 3.33Å; A422-C424 PolarHBondContact O-N 2.92Å; A422-G425 WeakPolarHBondContact O-CA 3.27Å; A422-G425 PolarHBondContact O-N 3.45Å
423D83.6Confident68.5Low102 Ų10262.1 Ų62.155%0.54535%0.354SS..THydrogen-bonded Turntrans-66.9-33176.7-65.4-57.3000112.5L419 T420 G425L419-D423 HydrophobicContact CD1-CB 4.11Å; L419-D423 HydrophobicContact CG-CB 3.8Å; T420-D423 WeakPolarHBondContact CB-OD2 3.46Å; T420-D423 PolarHBondContact N-OD2 2.81Å; T420-D423 PolarHBondContact O-N 2.7Å; T420-D423 VanDerWaalsContact O-N 3.16Å; T420-D423 VanDerWaalsContact OG1-CG 3.26Å; T420-D423 PolarHBondContact OG1-N 3.11Å; T420-D423 PolarHBondContact OG1-OD2 3.4Å; D423-G425 PolarHBondContact O-N 3.45Å
424C80.2Confident71.1Confident6 Ų652.6 Ų52.64%0.04131%0.313CS..THydrogen-bonded Turntrans-70.4-7.8168.2-82.80000113.7I322 L372 T420 L421 A422I322-C424 HydrophobicContact CD1-CB 4.42Å; I322-C424 WeakPolarHBondContact CD1-SG 3.39Å; L372-C424 HydrophobicContact CB-CB 4.36Å; L372-C424 HydrophobicContact CD1-CB 4.36Å; T420-C424 PolarHBondContact O-N 2.89Å; L421-C424 PolarHBondContact O-N 3.42Å; A422-C424 VanDerWaalsContact C-N 3.33Å; A422-C424 PolarHBondContact O-N 2.92Å
425G80.7Confident73Confident30 Ų3048 Ų4831%0.30928%0.281SS..THydrogen-bonded Turntrans9711.7175.900000115.7L421 A422 D423L421-G425 PolarHBondContact O-N 2.96Å; A422-G425 WeakPolarHBondContact O-CA 3.27Å; A422-G425 PolarHBondContact O-N 3.45Å; D423-G425 PolarHBondContact O-N 3.45Å
426L82.4Confident74.8Confident7 Ų743 Ų434%0.03725%0.246CC..  trans-76153.7174.2-64.2164.3000111.9V256 P364 V368 L372 L421 D430V256-L426 HydrophobicContact CG2-CB 4.27Å; V256-L426 HydrophobicContact CG2-CD1 4.21Å; P364-L426 HydrophobicContact CB-CD2 4.13Å; P364-L426 HydrophobicContact CG-CD2 3.5Å; V368-L426 HydrophobicContact CG1-CD2 3.77Å; V368-L426 HydrophobicContact CG1-CG 4.02Å; L372-L426 HydrophobicContact CD1-CD1 4.2Å; L372-L426 HydrophobicContact CD2-CD1 3.97Å; L421-L426 HydrophobicContact CB-CB 4.42Å; L421-L426 HydrophobicContact CB-CD1 3.82Å; L421-L426 HydrophobicContact CD2-CD1 3.81Å; L421-L426 HydrophobicContact CG-CD1 4.26Å; L421-L426 WeakPolarHBondContact O-CB 3.48Å; L421-L426 PolarHBondContact O-N 2.89Å; L421-L426 VanDerWaalsContact O-N 3.15Å; L426-D430 WeakPolarHBondContact CA-OD2 3.45Å; L426-D430 HydrophobicContact CD2-CB 4.25Å
427K77.9Confident75.9Confident143 Ų14339.2 Ų39.262%0.62223%0.231SC*.  trans-132.6162.9-175.6-62.5174.2-174.5172.30111.9V256 G429 D430V256-K427 WeakPolarHBondContact CB-O 3.27Å; V256-K427 WeakPolarHBondContact CG1-O 3.48Å; K427-G429 PolarHBondContact O-N 2.91Å; K427-D430 PolarHBondContact N-OD2 2.69Å; K427-D430 VanDerWaalsContact O-CB 3.28Å; K427-D430 WeakPolarHBondContact O-CB 3.42Å; K427-D430 PolarHBondContact O-N 2.85Å
428S74.4Confident76.4Confident59 Ų5936.6 Ų36.641%0.41322%0.223SC..THydrogen-bonded Turntrans-55.5129.4167.5-161.10000110.5K258K258-S428 PolarHBondContact N-OG 2.66Å
429G66.8Low75.9Confident31 Ų3133.1 Ų33.132%0.3221%0.208SC..THydrogen-bonded Turntrans86.8-1.8-174.800000115.4V256 Q362 K427V256-G429 PolarHBondContact O-N 3.48Å; Q362-G429 PolarHBondContact N-O 3.43Å; K427-G429 PolarHBondContact O-N 2.91Å
430D76.5Confident73.8Confident11 Ų1135.7 Ų35.76%0.05922%0.222CC..BIsolated β-bridgetrans-75.7136.6172.3-82.2-23.9000111.6V256 Q362 P364 L426 K427V256-D430 HydrophobicContact CB-CB 4.5Å; V256-D430 PolarHBondContact N-O 3.16Å; Q362-D430 CarbonylContact O-C 3.59Å; Q362-D430 WeakPolarHBondContact O-CA 3.4Å; P364-D430 HydrophobicContact CG-CB 3.79Å; L426-D430 WeakPolarHBondContact CA-OD2 3.45Å; L426-D430 HydrophobicContact CD2-CB 4.25Å; K427-D430 PolarHBondContact N-OD2 2.69Å; K427-D430 VanDerWaalsContact O-CB 3.28Å; K427-D430 WeakPolarHBondContact O-CB 3.42Å; K427-D430 PolarHBondContact O-N 2.85Å
431V72.9Confident71.5Confident18 Ų1840.3 Ų40.311%0.10925%0.252CS..EExtended strand (participates in β ladder)trans-127.8125.9178.3-178.90000110.4H253 I254 E361 Q362 P364H253-V431 WeakPolarHBondContact CE1-CG1 3.41Å; H253-V431 VanDerWaalsContact NE2-CG1 3.31Å; H253-V431 WeakPolarHBondContact NE2-CG1 3.34Å; I254-V431 WeakPolarHBondContact O-CA 3.45Å; E361-V431 HydrophobicContact CB-CG2 4.35Å; E361-V431 HydrophobicContact CG-CG2 4.25Å; Q362-V431 PolarHBondContact O-N 3.15Å; P364-V431 WeakPolarHBondContact CD-O 3.4Å
432C74.6Confident68.9Low4 Ų447.9 Ų47.93%0.02729%0.292CS..EExtended strand (participates in β ladder)trans-131.7148.8179.274.60000113.3I254 L369I254-C432 PolarHBondContact N-O 3.29Å; I254-C432 PolarHBondContact O-N 3.06Å; L369-C432 HydrophobicContact CD2-CB 3.44Å; L369-C432 VanDerWaalsContact CD2-CB 3.44Å
433N76.3Confident66.4Low48 Ų4852 Ų5226%0.25731%0.307SS..EExtended strand (participates in β ladder)trans-112.2103.2176.6-77.3-107.7000108.6F252 H253 Q345F252-N433 CarbonylContact O-C 3.57Å; F252-N433 WeakPolarHBondContact O-CA 3.25Å; H253-N433 PolarHBondContact CD2-ND2 3.46Å; Q345-N433 HydrophobicContact CB-CB 4.32Å; Q345-N433 PolarHBondContact N-O 2.89Å
434L80.7Confident63.7Low0 Ų055.7 Ų55.70%032%0.321CS..EExtended strand (participates in β ladder)trans-98.3147.9178-61.1-171.1000110.7V251 F252 I254 W342 L372 V373 L376V251-L434 CarbonylContact C-O 3.53Å; V251-L434 WeakPolarHBondContact CA-O 3.45Å; V251-L434 VanDerWaalsContact CG1-O 3.31Å; V251-L434 WeakPolarHBondContact CG1-O 3.5Å; F252-L434 HydrophobicContact CB-CB 4.49Å; F252-L434 PolarHBondContact N-O 3.07Å; F252-L434 PolarHBondContact O-N 2.88Å; I254-L434 HydrophobicContact CD1-CD1 3.77Å; I254-L434 HydrophobicContact CD1-CG 4.38Å; W342-L434 HydrophobicContact CE3-CB 3.92Å; W342-L434 HydrophobicContact CE3-CD1 4.11Å; W342-L434 HydrophobicContact CZ3-CB 3.75Å; W342-L434 HydrophobicContact CZ3-CD1 4.11Å; L372-L434 HydrophobicContact CD2-CD1 3.85Å; L372-L434 HydrophobicContact CD2-CD2 4.31Å; L372-L434 HydrophobicContact CG-CD1 4.41Å; V373-L434 HydrophobicContact CG2-CD2 3.74Å; L376-L434 HydrophobicContact CD1-CD1 3.63Å
435C76.3Confident61.1Low1 Ų163.8 Ų63.81%0.00736%0.358CS..EExtended strand (participates in β ladder)trans-114124174.7154.70000109Q249 V250 W342 S343Q249-C435 HydrophobicContact CG-CB 4.45Å; Q249-C435 WeakPolarHBondContact CG-SG 3.44Å; Q249-C435 PolarHBondContact NE2-SG 3.41Å; V250-C435 CarbonylContact O-C 3.53Å; V250-C435 WeakPolarHBondContact O-CA 2.96Å; W342-C435 CarbonylContact C-O 2.86Å; W342-C435 WeakPolarHBondContact CA-O 3.49Å; S343-C435 PolarHBondContact N-O 2.77Å; S343-C435 WeakPolarHBondContact O-CB 3.28Å; S343-C435 PolarHBondContact O-N 3.15Å; S343-C435 WeakPolarHBondContact OG-CB 3.21Å; S343-C435 PolarHBondContact OG-SG 3.17Å
436L76.6Confident58.5Low0 Ų071.4 Ų71.40%038%0.382CS..EExtended strand (participates in β ladder)trans-100.1135.7166.3172.558.6000109.9V250 F252 T333 I335 Q340 W342V250-L436 HydrophobicContact CB-CB 4.32Å; V250-L436 PolarHBondContact N-O 3.4Å; V250-L436 PolarHBondContact O-N 2.87Å; F252-L436 HydrophobicContact CD2-CB 4.24Å; F252-L436 HydrophobicContact CE2-CB 4Å; F252-L436 HydrophobicContact CE2-CD2 4.01Å; T333-L436 HydrophobicContact CG2-CD2 4.12Å; I335-L436 HydrophobicContact CD1-CD2 3.85Å; I335-L436 HydrophobicContact CD1-CG 3.96Å; Q340-L436 HydrophobicContact CB-CD1 3.49Å; Q340-L436 VanDerWaalsContact CB-CD1 3.49Å; Q340-L436 HydrophobicContact CG-CD1 3.75Å; Q340-L436 HydrophobicContact CG-CD2 4.4Å; W342-L436 HydrophobicContact CD2-CB 4.41Å; W342-L436 HydrophobicContact CD2-CD1 4.35Å; W342-L436 HydrophobicContact CE3-CB 4.21Å; W342-L436 HydrophobicContact CH2-CB 3.71Å; W342-L436 HydrophobicContact CH2-CD2 4.14Å; W342-L436 HydrophobicContact CH2-CG 4.35Å; W342-L436 HydrophobicContact CZ2-CB 3.91Å; W342-L436 HydrophobicContact CZ2-CD1 3.91Å; W342-L436 HydrophobicContact CZ2-CD2 3.85Å; W342-L436 HydrophobicContact CZ2-CG 4.1Å; W342-L436 HydrophobicContact CZ3-CB 3.88Å
437T69.7Low55.7Low39 Ų3977.3 Ų77.324%0.23941%0.414CS..EExtended strand (participates in β ladder)trans-131.6139.4171.445.40000110.3Q249 L341Q249-T437 HydrophobicContact CB-CG2 4.23Å; Q249-T437 HydrophobicContact CG-CG2 4.02Å; L341-T437 WeakPolarHBondContact CB-O 3.49Å; L341-T437 PolarHBondContact N-O 2.95Å; L341-T437 PolarHBondContact O-N 3.34Å; L341-T437 PolarHBondContact O-OG1 3.12Å; L341-T437 VanDerWaalsContact O-OG1 3.12Å
438A63.4Low53.3Low42 Ų4277.1 Ų77.135%0.34743%0.428SS..EExtended strand (participates in β ladder)trans-78.8125.4172.800000110.5I335I335-A438 HydrophobicContact CD1-CB 4.27Å; I335-A438 HydrophobicContact CG1-CB 4.35Å; I335-A438 HydrophobicContact CG2-CB 3.98Å
439S54.2Low50.9Low40 Ų4078.7 Ų78.728%0.2844%0.438SS..  trans-68.2133.7174.969.40000111.1S339 P441S339-S439 WeakPolarHBondContact CA-OG 3.47Å; S339-S439 WeakPolarHBondContact CB-OG 3.39Å; S339-S439 PolarHBondContact O-N 3.47Å; S439-P441 WeakPolarHBondContact O-CD 3.49Å
440N37.3Very low48.8Very low106 Ų10687.3 Ų87.357%0.56747%0.467SS*.  trans-100.4110.5-177-172.5-16.1000110.3L442N440-L442 VanDerWaalsContact C-N 3.25Å; N440-L442 PolarHBondContact O-N 2.86Å; N440-L442 PolarHBondContact OD1-N 3.03Å
441P34.7Very low46.3Very low114 Ų11492.1 Ų92.174%0.7451%0.509SS*.SBendtrans-63.6-26.6-171.4-24.434.8000114.6S439 N443S439-P441 WeakPolarHBondContact O-CD 3.49Å; P441-N443 VanDerWaalsContact C-N 3.33Å; P441-N443 PolarHBondContact O-N 3.43Å; P441-N443 VanDerWaalsContact O-N 3.15Å
442L28.1Very low43.8Very low159 Ų159100 Ų10083%0.83254%0.544SS*.THydrogen-bonded Turntrans-92.243.3-166.5-156.870.4000113.9N440N440-L442 VanDerWaalsContact C-N 3.25Å; N440-L442 PolarHBondContact O-N 2.86Å; N440-L442 PolarHBondContact OD1-N 3.03Å
443N26.4Very low41.3Very low132 Ų132107.1 Ų107.171%0.70658%0.581SS**THydrogen-bonded Turntrans-139.214.2173-120.8-28.8000116.6P441 H445P441-N443 VanDerWaalsContact C-N 3.33Å; P441-N443 PolarHBondContact O-N 3.43Å; P441-N443 VanDerWaalsContact O-N 3.15Å; N443-H445 PolarHBondContact O-N 2.93Å
444H27.5Very low38.7Very low179 Ų179110.3 Ų110.383%0.82961%0.607SS**  trans-7941.1173.5-85.4-67.7000114.7
445H26.7Very low35.8Very low177 Ų177118.8 Ų118.882%0.81965%0.646SS**SBendtrans-143.842.5176.4-102.2-43.9000116.1N443N443-H445 PolarHBondContact O-N 2.93Å
446K25.2Very low33.2Very low189 Ų189125.3 Ų125.382%0.82268%0.681SS**SBendtrans-173144142.8-98.9141.4-165.2173.20113.9
447N23.6Very low30.6Very low131 Ų131131.8 Ų131.870%0.70172%0.716SS**  trans56.786.4159.5-63.35.5000119.5S449N447-S449 VanDerWaalsContact C-N 3.26Å; N447-S449 PolarHBondContact O-N 3.19Å
448P28.4Very low28.3Very low140 Ų140135.9 Ų135.991%0.90974%0.741SS**SBendtrans-76.769.216234.6-35.2000111.6
449S23.4Very low26.4Very low91 Ų91141.7 Ų141.764%0.63677%0.766SS**  trans-16464.617855.10000115.6N447N447-S449 VanDerWaalsContact C-N 3.26Å; N447-S449 PolarHBondContact O-N 3.19Å
450K22.6Very low24.8Very low212 Ų212144.1 Ų144.192%0.92278%0.779SS**  trans-155.740.6162.5-124.8171.7-172.4-176.10117.9
451A23.3Very low24.1Very low113 Ų113147.4 Ų147.493%0.93479%0.791SS**  trans-105.150.2161.900000110.6
452Q21.5Very low23.5Very low182 Ų182146.5 Ų146.585%0.8579%0.787SS**  trans-116.7133.7-177.2-166.8165.9-4.200110.5
453L22.5Very low23.2Very low155 Ų155147.9 Ų147.981%0.81279%0.787SS**  trans-46.6143.7-169.6-69.3138.1000114.6H455L453-H455 PolarHBondContact O-N 3.19Å; L453-H455 VanDerWaalsContact O-N 3.15Å
454S20.8Very low23Very low114 Ų114146.4 Ų146.480%0.79779%0.787SS**  trans-58111.7172.351.30000111.4
455H19.6Very low22.8Very low178 Ų178146 Ų14682%0.82479%0.789SS**  trans-110.675176.9-119.1-66.4000110.3L453L453-H455 PolarHBondContact O-N 3.19Å; L453-H455 VanDerWaalsContact O-N 3.15Å
456N22.7Very low22.7Very low139 Ų139144.8 Ų144.874%0.74378%0.784SS**  trans-129.6134.7162.4-72.672.3000106.4
457D21.9Very low22.5Very low136 Ų136143.8 Ų143.873%0.72778%0.782SS**  cis-149.4172.4-11.6-121.7-54.3000109.9D459D457-D459 PolarHBondContact O-N 3.22Å
458V21.1Very low22.5Very low125 Ų125149.5 Ų149.576%0.75879%0.794SS**  trans-73.6112176.6176.20000109.9
459D23.6Very low22.1Very low163 Ų163146.5 Ų146.587%0.87278%0.781SS**  trans-120.4132.7158.8-143.9-22.7000110.5D457D457-D459 PolarHBondContact O-N 3.22Å
460T19.8Very low22.1Very low92 Ų92151.7 Ų151.756%0.56479%0.792SS**  trans-121.8113.4-164.9-63.70000110
461H22.5Very low22.1Very low174 Ų174151.4 Ų151.481%0.80679%0.791SS**  178.1154.6127.5-97.2-61.2000115.5
462S22.4Very low22.1Very low95 Ų95150.9 Ų150.966%0.66478%0.781SS**  trans75.8104.914654.80000122.8
463K22.4Very low22.1Very low189 Ų189147.4 Ų147.482%0.82278%0.776SS**  72.890.4121.3-65177.6-178.5177.10120.5
464S20.7Very low22.2Very low101 Ų101145 Ų14571%0.70677%0.772SS**  36.6105112.665.30000120.3
465L25.2Very low22.2Very low170 Ų170146.5 Ų146.589%0.8977%0.772SS**  trans-151.186.5150.1-97.2165.2000106.4
466Q22.5Very low22.5Very low151 Ų151143.5 Ų143.571%0.70677%0.768SS**  42.6122.581.6-79.5-147.62100116.1
467Q22.6Very low22.4Very low169 Ų169143.5 Ų143.579%0.7977%0.767SS**  trans67.698.2154.3-58.3-179.445.300119.5
468R23.7Very low22.5Very low250 Ų250143.4 Ų143.494%0.94377%0.767SS**  trans-134.289.1133.6-165.770.9-178.1-146.7-0.6111.4
469A20.2Very low22.8Very low78 Ų78143.6 Ų143.665%0.64576%0.764SS**  trans-91-179.9173.400000112.2
470K21.9Very low22.8Very low199 Ų199141 Ų14187%0.86575%0.75SS**  trans85.596.8164.1-53179.3-178.7-1790118.2
471K23.2Very low23Very low206 Ų206143.7 Ų143.790%0.89676%0.759SS**  175.1139.5123.3-93.8170.1-179-172.40107.4
472S22.9Very low23.4Very low103 Ų103140.2 Ų140.272%0.7275%0.752SS**  cis-160.5143.2-13.527.90000107
473S21.3Very low23.4Very low108 Ų108141.1 Ų141.176%0.75576%0.758SS**  46.7128.3105.6-144.50000114.9
474S24.2Very low23.4Very low104 Ų104136.8 Ų136.873%0.72775%0.752SS**  cis-164165.511.9-0.40000112.8
475N22Very low23.6Very low146 Ų146137.2 Ų137.278%0.78176%0.755SS**  trans-70.8164.7167.8-51.3-2000111.4
476P26Very low23.6Very low116 Ų116134 Ų13475%0.75375%0.746SS**  -122.4163.482.94.619000112.4
477L20.5Very low23.5Very low138 Ų138132.9 Ų132.972%0.72375%0.75SS**  66.1126.154.6-58162.5000112.2
478D23.5Very low23.5Very low135 Ų135128.8 Ų128.872%0.72275%0.745SS**  cis-126.3-136.60.7-73.8-61.1000110.3
479D27.4Very low23.4Very low128 Ų128122.7 Ų122.768%0.68474%0.736SS**  cis-160.6172.73.9-161.628.5000115
480N24Very low23.4Very low110 Ų110124.9 Ų124.959%0.58874%0.742SS**  trans-3.6130.3164-70.4-47.4000121.3
481I23.3Very low23.5Very low148 Ų148121.7 Ų121.776%0.75974%0.739SS**  77.6143.165.2-72.3178.8000112.8
482P32.1Very low23.4Very low101 Ų101118 Ų11866%0.65673%0.734SS**  cis-134.6169.58.538.7-21.1000118.4
483S21.4Very low23.4Very low114 Ų114117.6 Ų117.680%0.79774%0.737SS**  trans64.8157.2140.172.40000120.7
484S23.6Very low23.3Very low97 Ų97117 Ų11768%0.67874%0.738SS**  cis-154.5155.65.849.70000112.2
485S23.3Very low23.2Very low110 Ų110116.7 Ų116.777%0.76974%0.742SS**  trans59.5144.8156.2510000119.6
486S25.7Very low23.2Very low102 Ų102116 Ų11671%0.71374%0.743SS**  cis-162.9143-7.942.10000112
487T21.7Very low22.9Very low129 Ų129116.1 Ų116.179%0.79174%0.737SS**  trans46.1110.8137.8-48.30000120
488A21.3Very low23.2Very low82 Ų82116 Ų11668%0.67874%0.742SS**  trans41.8144.4133.300000120.4
489T22.1Very low23Very low122 Ų122117.2 Ų117.275%0.74874%0.741SS**  cis-158.6146.844.3-45.30000112.6
490T20.4Very low22.9Very low125 Ų125119.1 Ų119.177%0.76775%0.749SS**  trans-66.2128.2168.4-41.40000111.3T492T490-T492 HydrophobicContact CG2-CG2 4.39Å
491T24.2Very low22.8Very low132 Ų132118.7 Ų118.781%0.8175%0.751SS**  trans-133.7111.1165.6-52.20000110.1
492T20.6Very low22.6Very low128 Ų128119.8 Ų119.879%0.78575%0.753SS**  trans-103.4120.7176.348.90000111.1T490T490-T492 HydrophobicContact CG2-CG2 4.39Å
493A23.3Very low22.3Very low95 Ų95121.3 Ų121.379%0.78577%0.766SS**  trans-144.7127159.700000106.6
494A19.4Very low22.4Very low94 Ų94121 Ų12178%0.77776%0.764SS**  cis78.9114.619.100000115.5
495A21.2Very low22.6Very low99 Ų99122.2 Ų122.282%0.81877%0.772SS**  trans65.5160178.100000115.5
496V22.2Very low22.6Very low131 Ų131123.3 Ų123.379%0.79477%0.774SS**  cis-137.1171.15.1-1580000109.6
497D19.8Very low22.7Very low119 Ų119130.1 Ų130.164%0.63678%0.784SS**  trans-51.9153.4172.4-49.4-102.6000116.2
498V26.4Very low22.7Very low136 Ų136131.3 Ų131.382%0.82479%0.786SS**  trans-137.5119.3133.6178.50000109.1
499F19.7Very low22.9Very low160 Ų160137.3 Ų137.370%0.70280%0.797SS**  trans-80.6144.6165.9-85.5-110.8000110.5T501F499-T501 HydrophobicContact CD1-CG2 4.27Å
500I25.6Very low23.1Very low168 Ų168137 Ų13786%0.86280%0.799SS**  trans-125.9109.3152.3-61.6-178000107.5
501T20.9Very low23.2Very low100 Ų100136.1 Ų136.161%0.61380%0.798SS**  trans-101.1149.6179.124.20000112F499F499-T501 HydrophobicContact CD1-CG2 4.27Å
502E20.3Very low23.4Very low172 Ų172141.9 Ų141.980%0.80481%0.805SS**  trans51.9121.1147.8-61.6-175.2142.200120.3
503S25.3Very low23.5Very low132 Ų132145.5 Ų145.592%0.92381%0.81SS**  trans-143.5101.3139.3-78.50000108.8
504S23.2Very low23.7Very low109 Ų109148.9 Ų148.976%0.76281%0.813SS**  trans-91.5140.2179.856.60000110.9
505S28.1Very low23.9Very low122 Ų122149 Ų14985%0.85381%0.808SS**  trans-148.6115.116157.30000110.6
506T24.2Very low23.9Very low133 Ų133151.8 Ų151.882%0.81681%0.81SS**  trans-93.5143.4-179.552.30000110.7
507R26.6Very low24.1Very low244 Ų244150.7 Ų150.792%0.92181%0.807SS**  trans-146.691.3162.7-170166.9-74.6-162.3-1.3111.9
508N21.5Very low24.3Very low154 Ų154154.5 Ų154.582%0.82482%0.818SS**  trans-78.8127.6171.8-74.4-22.9000111.5
509K26.2Very low24Very low209 Ų209156.6 Ų156.691%0.90982%0.817SS**  trans174.1143152.6-99.1160.7-175.8-177.60107.6
510S26.2Very low24.3Very low114 Ų114155 Ų15580%0.79782%0.822SS**  cis-143.2151.7-4.5-169.20000110.2
511S23.1Very low24Very low107 Ų107152.7 Ų152.775%0.74881%0.812SS**  trans-86.2131.2-177.353.40000113.3
512R28.6Very low24.2Very low254 Ų254158 Ų15896%0.95882%0.822SS**  trans-134.4110.4144.6-78.3-172.2-177.7150.72.5109.8
513K20.9Very low24.3Very low203 Ų203160.4 Ų160.488%0.88382%0.823SS**  trans-119.5113.7163.7-82.3-172.7174.5-176.60107.7
514I28.2Very low24Very low167 Ų167161.9 Ų161.986%0.85682%0.821SS**  trans-137.2100.3158-55.8-179.7000103.1
515S22.9Very low24.2Very low96 Ų96163.6 Ų163.667%0.67183%0.826SS**  80.687.558.3-173.30000113
516N21.1Very low24Very low158 Ų158162.8 Ų162.885%0.84582%0.821SS**  trans18.8114.7141.6-56.11.9000118.3
517S26.6Very low24.5Very low107 Ų107162.6 Ų162.675%0.74882%0.822SS**  trans-152.4101.513859.90000113.9
518K24.8Very low24.4Very low199 Ų199160.2 Ų160.287%0.86582%0.821SS**  trans51.4125.4132.6-62.6176.6176.6178.30120.4
519K20.9Very low24.6Very low181 Ų181159.9 Ų159.979%0.78782%0.818SS**  trans-42.4145.1151.9-55.4177.5174.3-170.60112.9
520P25.5Very low24.8Very low125 Ų125153.5 Ų153.581%0.81281%0.811SS**  trans-92.6133.6133.932.7-25.6000110.4
521N19.5Very low24.7Very low121 Ų121155.9 Ų155.965%0.64781%0.808SS**  trans-88.6151.9150.7-71.6-6.7000107.2
522Y25.7Very low25.4Very low212 Ų212158.9 Ų158.983%0.83182%0.816SS**  trans169110.9137.5-83.7-53.5000106.6
523R21.8Very low25.4Very low221 Ų221152.8 Ų152.883%0.83480%0.802SS**  72.112088.1-85.6-165172.2178.5-3.7114.2
524N19.5Very low26.1Very low163 Ų163149.8 Ų149.887%0.87280%0.795SS**  trans-53.2143.6178.5-39.6-0000113.4
525V26.8Very low26.4Very low145 Ų145151.1 Ų151.188%0.87979%0.791SS**  trans-137.5142.6149.8-175.80000106.8
526S24.6Very low27.1Very low106 Ų106152.8 Ų152.874%0.74179%0.792SS**  trans-80.4164.7-178.8-61.20000112.6
527P33.5Very low27.5Very low128 Ų128150.3 Ų150.383%0.83178%0.779SS**  trans-71.1151-175.2-15.731000113.4
528E25Very low28Very low194 Ų194153.7 Ų153.791%0.90778%0.777SS**  trans-106.9141173.4-163.6158.1-133.700109.5
529I25.5Very low28.2Very low147 Ų147151 Ų15175%0.75477%0.772SS**  trans-94.5120.1-171.1-63.5168.5000109.4F531I529-F531 HydrophobicContact CG2-CD2 3.94Å; I529-F531 HydrophobicContact CG2-CE2 4.08Å
530G29.4Very low28.8Very low75 Ų75149.4 Ų149.477%0.77377%0.772SS**  trans-101.8113.7166.900000110.8
531F24.5Very low29.3Very low165 Ų165150 Ų15072%0.72477%0.768SS**  trans-87.9134.6153.8-84-107.8000107.4I529I529-F531 HydrophobicContact CG2-CD2 3.94Å; I529-F531 HydrophobicContact CG2-CE2 4.08Å
532D38.6Very low30.3Very low170 Ų170152 Ų15291%0.90978%0.779SS**  trans-138.1114.1151.1-87.9-46.7000106.1
533D29Very low30.6Very low126 Ų126150.7 Ų150.767%0.67478%0.781SS**  trans-81.8153.5168.3-57.3-74.4000109.2
534D33.8Very low31.3Very low139 Ų139149 Ų14974%0.74378%0.782SS**  159124.1122.1-88.4-17.6000116.2
535Y35.6Very low32Very low195 Ų195149.5 Ų149.577%0.76578%0.779SS**  trans85.8146.9135.4-83.8-114.8000125
536D38.4Very low32.5Very low131 Ų131150.8 Ų150.870%0.70178%0.776SS**  trans63.7111.8163.6-60.8-33.8000120.3
537N28.7Very low33Very low106 Ų106154.2 Ų154.257%0.56778%0.78SS**  cis105.6144.214.2-164.917.2000114.7
538Y35.9Very low33.1Very low179 Ų179155.3 Ų155.370%0.70278%0.779SS**  trans70.8120.2-173.7-51.3-68.3000114.5
539N30Very low34Very low143 Ų143153 Ų15377%0.76577%0.768SS**  63.1125.861.3-58.521.5000110.5
540D33.2Very low34.5Very low146 Ų146153.8 Ų153.878%0.78177%0.774SS**  -154.8166.865.8-152.36.9000113.6
541D35.3Very low35.3Very low137 Ų137159.6 Ų159.673%0.73377%0.774SS**  trans-68.8146.9-172.1-57.1-40.9000114.2
542N41.8Very low36.1Very low164 Ų164159.1 Ų159.188%0.87778%0.779SS**  trans-144.4116.3143.4-78.7-89.5000108.5
543E31.7Very low36.1Very low185 Ų185158 Ų15886%0.86477%0.77SS**  trans-85.2-164160.2-61.3-17713500109
544E37.5Very low36.5Very low186 Ų186158.9 Ų158.987%0.86977%0.774SS**  trans72.5145.7-172.9-54.3177.7-168.600114.8
545E33.3Very low36.9Very low172 Ų172163.1 Ų163.180%0.80478%0.782SS**  cis-173.1166.6-41.4-117.8176.8-175.900106.6
546E36.8Very low36.9Very low172 Ų172162.2 Ų162.280%0.80478%0.784SS**  trans61.7113.9174.6-61.3-179.1174.500115.7
547E35Very low37Very low178 Ų178166.5 Ų166.583%0.83279%0.792SS**  81.7144.367.8-72.1-167.6160.400115.1
548D36Very low37.7Very low152 Ų152166.7 Ų166.781%0.81380%0.802SS**  trans80143.1165-71.8-16000124.5
549E44Very low38.2Very low144 Ų144163 Ų16367%0.67380%0.802SS**  trans67.679.5159.6-68.6-176.4-168.800121.2Y551E549-Y551 WeakPolarHBondContact O-CD2 3.37Å; E549-Y551 PolarHBondContact O-N 2.9Å
550D35.7Very low38.8Very low164 Ų164163.1 Ų163.188%0.87780%0.803SS**  22.991115.4-66.6-4.3000118
551Y47Very low39.3Very low197 Ų197165 Ų16577%0.77381%0.807SS**  trans-123.5117.9159-86.6-88.4000113E549 M553E549-Y551 WeakPolarHBondContact O-CD2 3.37Å; E549-Y551 PolarHBondContact O-N 2.9Å; Y551-M553 PolarHBondContact O-N 3Å
552D39.8Very low39.4Very low156 Ų156166.1 Ų166.183%0.83481%0.811SS**  trans-59.5111.9176.2-165.714.8000110.4
553M39.4Very low39.5Very low146 Ų146165.7 Ų165.772%0.71981%0.808SS**  trans-126.2108.5-177.6-80.7-62.8-58.600110.4Y551 Y555Y551-M553 PolarHBondContact O-N 3Å; M553-Y555 PolarHBondContact O-N 2.84Å
554D37.7Very low40Very low144 Ų144162.4 Ų162.477%0.7780%0.796SS**  trans-52.7108.4179.6-67.2-56.3000111.7H556D554-H556 PolarHBondContact O-N 3.11Å
555Y41.4Very low40.5Very low228 Ų228162.7 Ų162.789%0.89480%0.798SS**  trans-70.675.8167.1-88.6-92.4000110M553 Y557M553-Y555 PolarHBondContact O-N 2.84Å; Y555-Y557 PolarHBondContact O-N 2.72Å; Y555-Y557 VanDerWaalsContact O-N 3.15Å
556H36.6Very low41.2Very low176 Ų176159.5 Ų159.582%0.81579%0.79SS**  trans-62.4115.8172.4-14771.6000108.3D554 S558D554-H556 PolarHBondContact O-N 3.11Å; H556-S558 VanDerWaalsContact C-N 3.31Å; H556-S558 PolarHBondContact O-N 2.76Å
557Y40.5Very low41.8Very low222 Ų222157.4 Ų157.487%0.87178%0.784SS**  trans-70.585.7-170.5-150.8-94.3000110.2Y555 S559Y555-Y557 PolarHBondContact O-N 2.72Å; Y555-Y557 VanDerWaalsContact O-N 3.15Å; Y557-S559 VanDerWaalsContact C-N 3.28Å; Y557-S559 PolarHBondContact O-N 2.91Å
558S43.9Very low42.5Very low110 Ų110155.7 Ų155.777%0.76978%0.781SS**  trans-72.283.9-176.8-171.30000110.4H556 D560H556-S558 VanDerWaalsContact C-N 3.31Å; H556-S558 PolarHBondContact O-N 2.76Å; S558-D560 VanDerWaalsContact C-N 3.33Å; S558-D560 PolarHBondContact O-N 3.32Å
559S44.8Very low43.2Very low102 Ų102157.6 Ų157.671%0.71378%0.782SS**  trans-57.692.3164.4166.60000110Y557Y557-S559 VanDerWaalsContact C-N 3.28Å; Y557-S559 PolarHBondContact O-N 2.91Å
560D42.9Very low43.7Very low144 Ų144157 Ų15777%0.7778%0.777SS**  trans-168.247.6157.2-98.5-15.9000111.7S558S558-D560 VanDerWaalsContact C-N 3.33Å; S558-D560 PolarHBondContact O-N 3.32Å
561E44.2Very low45.2Very low185 Ų185155.1 Ų155.186%0.86477%0.766SS**  trans-99.6121.4150.1-80.9-158.9165.500109.2L563E561-L563 PolarHBondContact O-N 3.28Å
562I37.3Very low46.8Very low162 Ų162148.2 Ų148.283%0.83174%0.744SS**  trans-75.495.8-175.9-61.8164.5000107.7D564I562-D564 PolarHBondContact O-N 2.9Å; I562-D564 VanDerWaalsContact O-N 3.11Å
563L43.2Very low48.7Very low154 Ų154142.7 Ų142.781%0.80672%0.717SS**  trans-60.5112.3162.1-69.4177.4000108E561 E565E561-L563 PolarHBondContact O-N 3.28Å; L563-E565 PolarHBondContact O-N 2.79Å
564D42.1Very low51Low116 Ų116141.1 Ų141.162%0.6270%0.703SS**  trans-66.698.2174.3-172.3-16.9000109.1I562 T566I562-D564 PolarHBondContact O-N 2.9Å; I562-D564 VanDerWaalsContact O-N 3.11Å; D564-T566 PolarHBondContact O-N 3.48Å; D564-T566 WeakPolarHBondContact OD1-CB 3.22Å; D564-T566 PolarHBondContact OD1-N 2.98Å; D564-T566 VanDerWaalsContact OD1-N 3.09Å; D564-T566 PolarHBondContact OD1-OG1 2.88Å
565E48.2Very low53.3Low193 Ų193139.6 Ų139.690%0.90270%0.695SS**THydrogen-bonded Turntrans-67.214179.9-65.8-163.3129.500113.8L563L563-E565 PolarHBondContact O-N 2.79Å
566T49Very low55.5Low105 Ų105133.3 Ų133.364%0.64467%0.673SS**THydrogen-bonded Turntrans-115.22.6-17374.90000117D564 D568D564-T566 PolarHBondContact O-N 3.48Å; D564-T566 WeakPolarHBondContact OD1-CB 3.22Å; D564-T566 PolarHBondContact OD1-N 2.98Å; D564-T566 VanDerWaalsContact OD1-N 3.09Å; D564-T566 PolarHBondContact OD1-OG1 2.88Å; T566-D568 PolarHBondContact O-N 3.39Å
567D49.4Very low58.2Low127 Ų127126.5 Ų126.568%0.67965%0.645SS**SBendtrans-76.279.6161.8-162.834.7000110K569 K570D567-K569 PolarHBondContact O-N 3.15Å; D567-K570 IonicContact OD1-NZ 2.61Å; D567-K570 PolarHBondContact OD1-NZ 3.4Å; D567-K570 IonicContact OD2-NZ 2.67Å; D567-K570 PolarHBondContact OD2-NZ 2.84Å
568D48.7Very low60.8Low143 Ų143116.1 Ų116.177%0.76561%0.605SS**  trans-37.7126.8-178.2-99.7-43.4000112T566 K570T566-D568 PolarHBondContact O-N 3.39Å; D568-K570 PolarHBondContact O-N 3.28Å
569K51.7Low63.1Low192 Ų192111 Ų11184%0.83557%0.569SS**  trans-48.191.9-174.9-67.4177-178.5176.90111.7D567 I571D567-K569 PolarHBondContact O-N 3.15Å; K569-I571 PolarHBondContact O-N 3.33Å; K569-I571 VanDerWaalsContact O-N 3.11Å
570K53.6Low65.3Low130 Ų130108.3 Ų108.357%0.56555%0.548SS*.  trans-56.1121.4177-66.6-179.8-178.469.30107.4D567 D568 T572D567-K570 IonicContact OD1-NZ 2.61Å; D567-K570 PolarHBondContact OD1-NZ 3.4Å; D567-K570 IonicContact OD2-NZ 2.67Å; D567-K570 PolarHBondContact OD2-NZ 2.84Å; D568-K570 PolarHBondContact O-N 3.28Å; K570-T572 PolarHBondContact O-N 2.84Å
571I67.8Low67.3Low126 Ų126106.1 Ų106.165%0.64654%0.537SS*.  trans-69101.4-174-64.2175.8000107.9K569 Q576K569-I571 PolarHBondContact O-N 3.33Å; K569-I571 VanDerWaalsContact O-N 3.11Å; I571-Q576 HydrophobicContact CG2-CG 3.97Å
572T80.3Confident69.2Low52 Ų52100.7 Ų100.732%0.31951%0.514SS..  trans-95154.8170.6660000109.4K570 W574 N575K570-T572 PolarHBondContact O-N 2.84Å; T572-W574 PolarHBondContact O-N 2.62Å; T572-W574 VanDerWaalsContact O-N 3.09Å; T572-N575 PolarHBondContact O-N 2.79Å; T572-N575 PolarHBondContact OG1-N 2.76Å; T572-N575 PolarHBondContact OG1-ND2 3.24Å; T572-N575 PolarHBondContact OG1-OD1 3.38Å
573P81Confident71Confident39 Ų3997.7 Ų97.725%0.25351%0.505SS..G310 helixtrans-56.8-23.8172.7-26.335.5000113.7Q601 R602P573-Q601 HydrophobicContact CB-CB 3.92Å; P573-Q601 HydrophobicContact CG-CB 3.94Å; P573-R602 HydrophobicContact CB-CG 3.96Å; P573-R602 PolarHBondContact O-NE 3.26Å; P573-R602 PolarHBondContact O-NH2 3.04Å
574W86.7Confident72.5Confident114 Ų11494.4 Ų94.443%0.43250%0.495SS..G310 helixtrans-77.6-19.5177.8-57.997.2000113.8T572 R602 Y603 H651T572-W574 PolarHBondContact O-N 2.62Å; T572-W574 VanDerWaalsContact O-N 3.09Å; W574-R602 HydrophobicContact CD2-CB 4.42Å; W574-R602 HydrophobicContact CD2-CG 4.04Å; W574-R602 HydrophobicContact CE3-CB 4.36Å; W574-R602 HydrophobicContact CE3-CG 4.11Å; W574-R602 HydrophobicContact CH2-CB 3.94Å; W574-R602 WeakPolarHBondContact CH2-O 3.35Å; W574-R602 HydrophobicContact CZ2-CB 3.99Å; W574-R602 HydrophobicContact CZ2-CG 4.49Å; W574-R602 WeakPolarHBondContact CZ2-O 3.43Å; W574-R602 HydrophobicContact CZ3-CB 4.13Å; W574-R602 HydrophobicContact CZ3-CG 4.36Å; W574-Y603 HydrophobicContact CH2-CD1 4.01Å; W574-Y603 AromaticContact CH2-CE1 3.83Å; W574-Y603 HydrophobicContact CH2-CE1 3.83Å; W574-Y603 HydrophobicContact CZ3-CD1 4.38Å; W574-Y603 AromaticContact CZ3-CE1 3.74Å; W574-Y603 HydrophobicContact CZ3-CE1 3.74Å; W574-H651 AromaticContact CZ3-ND1 3.89Å
575N86.6Confident74.3Confident111 Ų11189.5 Ų89.559%0.59447%0.468SS*.G310 helixtrans-99.54.6-175.3-70.2-8000113.5T572T572-N575 PolarHBondContact O-N 2.79Å; T572-N575 PolarHBondContact OG1-N 2.76Å; T572-N575 PolarHBondContact OG1-ND2 3.24Å; T572-N575 PolarHBondContact OG1-OD1 3.38Å
576Q88.1Confident75.8Confident96 Ų9687.5 Ų87.545%0.44946%0.459SS..SBendtrans-131.1139.9177.6-66.7-170.7-37.100110.4I571 R602I571-Q576 HydrophobicContact CG2-CG 3.97Å; Q576-R602 PolarHBondContact O-NH2 2.7Å
577P92.4Very high77.6Confident34 Ų3486.1 Ų86.122%0.22145%0.448CS..  trans-59.8151.3176.525.8-33.8000111.7I579 D645 D678 T680 L681P577-I579 PolarHBondContact O-N 3.03Å; P577-D645 WeakPolarHBondContact CA-OD2 3.36Å; P577-D678 WeakPolarHBondContact CB-OD2 3.5Å; P577-T680 HydrophobicContact CB-CG2 4.46Å; P577-L681 HydrophobicContact CB-CD1 4.38Å; P577-L681 HydrophobicContact CB-CG 4.47Å; P577-L681 HydrophobicContact CG-CD1 3.82Å; P577-L681 HydrophobicContact CG-CG 4.18Å
578L94.2Very high79.6Confident4 Ų481.1 Ų81.12%0.02142%0.422CS..SBendtrans-62.5-29.5-178.1-64.9-176.5000112Q594 F595 G598 F599 H643 D678L578-Q594 CarbonylContact O-C 3.4Å; L578-Q594 VanDerWaalsContact O-C 3.31Å; L578-F595 HydrophobicContact CB-CD2 3.78Å; L578-F595 HydrophobicContact CB-CE2 4.07Å; L578-F595 HydrophobicContact CB-CG 4.32Å; L578-F595 HydrophobicContact CD1-CD2 4.01Å; L578-F595 HydrophobicContact CD1-CE1 4.22Å; L578-F595 HydrophobicContact CD1-CE2 3.46Å; L578-F595 VanDerWaalsContact CD1-CE2 3.46Å; L578-F595 HydrophobicContact CD1-CZ 3.56Å; L578-F595 HydrophobicContact CG-CE2 4.42Å; L578-F595 VanDerWaalsContact O-CA 3.3Å; L578-F595 WeakPolarHBondContact O-CA 3.46Å; L578-F595 PolarHBondContact O-N 3.1Å; L578-G598 VanDerWaalsContact CD2-C 3.41Å; L578-F599 HydrophobicContact CD1-CD2 4.25Å; L578-H643 HydrophobicContact CD1-CB 4.15Å; L578-H643 WeakPolarHBondContact CD1-CD2 3.34Å; L578-D678 HydrophobicContact CB-CB 4.21Å; L578-D678 PolarHBondContact N-OD2 3.29Å
579I93.8Very high81.6Confident2 Ų276.2 Ų76.21%0.0140%0.395CS..SBendtrans-109.6110165.5-55.9178.3000107.9P577 L585 A591 F595 W677 D678 L681 I684P577-I579 PolarHBondContact O-N 3.03Å; I579-L585 HydrophobicContact CG2-CD2 3.59Å; I579-A591 HydrophobicContact CD1-CB 4.46Å; I579-A591 HydrophobicContact CG2-CB 4.23Å; I579-F595 HydrophobicContact CD1-CB 4.45Å; I579-F595 HydrophobicContact CD1-CD2 4.47Å; I579-F595 HydrophobicContact CG1-CB 3.99Å; I579-F595 HydrophobicContact CG1-CD2 4.23Å; I579-W677 HydrophobicContact CD1-CD2 3.95Å; I579-W677 HydrophobicContact CD1-CE3 3.97Å; I579-W677 HydrophobicContact CD1-CG 4.39Å; I579-W677 HydrophobicContact CD1-CZ3 4.26Å; I579-D678 HydrophobicContact CB-CB 4.02Å; I579-D678 HydrophobicContact CD1-CB 3.9Å; I579-D678 HydrophobicContact CG1-CB 3.69Å; I579-D678 PolarHBondContact N-OD2 3.42Å; I579-L681 WeakPolarHBondContact O-CD1 3.27Å; I579-I684 HydrophobicContact CB-CD1 4.15Å; I579-I684 HydrophobicContact CD1-CG2 4.39Å; I579-I684 HydrophobicContact CG2-CD1 3.67Å; I579-I684 HydrophobicContact CG2-CG2 4.48Å
580P89.2Confident83.4Confident45 Ų4569.8 Ų69.829%0.29237%0.369SS..  trans-60.7151.8-178.5-26.535.4000114D582P580-D582 PolarHBondContact O-N 2.79Å
581D85.6Confident85.3Confident98 Ų9863.6 Ų63.652%0.52434%0.343SS..  trans-78.150173.6-158.221.4000112.9P583 L681 R683D581-P583 WeakPolarHBondContact O-CD 3.42Å; D581-L681 HydrophobicContact CB-CD1 3.55Å; D581-L681 HydrophobicContact CB-CD2 4.31Å; D581-R683 IonicContact OD1-CZ 3.77Å; D581-R683 IonicContact OD1-NE 2.72Å; D581-R683 PolarHBondContact OD1-NE 3.37Å; D581-R683 IonicContact OD1-NH2 3.64Å; D581-R683 PolarHBondContact OD1-NH2 3.31Å
582D84.5Confident86.6Confident72 Ų7257.6 Ų57.639%0.38531%0.312SS..  trans-85.6124.9171.3-172-2000109.9P580 S584 L585 R683P580-D582 PolarHBondContact O-N 2.79Å; D582-S584 PolarHBondContact O-N 3.42Å; D582-S584 WeakPolarHBondContact OD1-CB 3.13Å; D582-S584 PolarHBondContact OD1-N 3.1Å; D582-S584 PolarHBondContact OD1-OG 3.38Å; D582-S584 WeakPolarHBondContact OD2-CB 3.05Å; D582-S584 PolarHBondContact OD2-OG 2.99Å; D582-L585 HydrophobicContact CB-CB 4.29Å; D582-L585 WeakPolarHBondContact O-CB 3.32Å; D582-L585 PolarHBondContact O-N 2.91Å; D582-R683 PolarHBondContact O-NH2 3.3Å
583P75.4Confident87.1Confident99 Ų9955.6 Ų55.664%0.64330%0.299SS*.THydrogen-bonded Turntrans-62.5-22.1168.2-23.535.5000114D581 L585D581-P583 WeakPolarHBondContact O-CD 3.42Å; P583-L585 PolarHBondContact O-N 3.11Å
584S73.6Confident87.7Confident85 Ų8556.3 Ų56.359%0.59430%0.299SS*.THydrogen-bonded Turntrans-71.4-17.8176.9950000113.4D582 E586D582-S584 PolarHBondContact O-N 3.42Å; D582-S584 WeakPolarHBondContact OD1-CB 3.13Å; D582-S584 PolarHBondContact OD1-N 3.1Å; D582-S584 PolarHBondContact OD1-OG 3.38Å; D582-S584 WeakPolarHBondContact OD2-CB 3.05Å; D582-S584 PolarHBondContact OD2-OG 2.99Å; S584-E586 PolarHBondContact O-N 3.42Å
585L79.8Confident88.1Confident12 Ų1250.9 Ų50.96%0.06328%0.278CS..  trans-79.353.2-177.8-162.754.1000112I579 D582 P583 L590 A591 Q594I579-L585 HydrophobicContact CG2-CD2 3.59Å; D582-L585 HydrophobicContact CB-CB 4.29Å; D582-L585 WeakPolarHBondContact O-CB 3.32Å; D582-L585 PolarHBondContact O-N 2.91Å; P583-L585 PolarHBondContact O-N 3.11Å; L585-L590 HydrophobicContact CD1-CB 3.88Å; L585-L590 HydrophobicContact CD1-CD2 3.76Å; L585-L590 HydrophobicContact CD1-CG 3.58Å; L585-A591 HydrophobicContact CD1-CB 4.25Å; L585-A591 HydrophobicContact CD2-CB 4.34Å; L585-A591 HydrophobicContact CG-CB 4.06Å; L585-Q594 HydrophobicContact CD1-CG 4.35Å; L585-Q594 HydrophobicContact CD2-CG 4.3Å
586E79.5Confident88.5Confident151 Ų15145.6 Ų45.671%0.70625%0.25SC*.  trans-76.2-20.6175.7-68.3-163163.900112.6S584 P588 R687S584-E586 PolarHBondContact O-N 3.42Å; E586-P588 WeakPolarHBondContact O-CD 3.47Å; E586-R687 PolarHBondContact O-NH1 3.08Å; E586-R687 PolarHBondContact O-NH2 2.81Å
587D87.5Confident88.7Confident77 Ų7741.7 Ų41.741%0.41223%0.232SC..  trans-83.8122.8178.4175.923.4000112.7E589 L590 A591D587-E589 VanDerWaalsContact C-N 3.3Å; D587-E589 PolarHBondContact O-N 3.14Å; D587-E589 PolarHBondContact OD1-N 3.25Å; D587-L590 HydrophobicContact CB-CB 4.02Å; D587-L590 PolarHBondContact O-N 3.2Å; D587-L590 PolarHBondContact OD2-N 3.38Å; D587-A591 WeakPolarHBondContact O-CB 3.48Å; D587-A591 PolarHBondContact O-N 2.96Å
588P90.9Very high88.7Confident22 Ų2240.7 Ų40.714%0.14323%0.228CC..Hα-helixtrans-62.7-30.3172.8-21.434.6000114.4E586 A591 T592 W677 W691E586-P588 WeakPolarHBondContact O-CD 3.47Å; P588-A591 PolarHBondContact O-N 3.44Å; P588-T592 PolarHBondContact O-N 2.75Å; P588-T592 PolarHBondContact O-OG1 2.87Å; P588-T592 VanDerWaalsContact O-OG1 3.1Å; P588-W677 HydrophobicContact CB-CH2 4.47Å; P588-W677 HydrophobicContact CB-CZ3 4.43Å; P588-W691 HydrophobicContact CB-CH2 3.82Å; P588-W691 HydrophobicContact CB-CZ2 4.29Å; P588-W691 HydrophobicContact CG-CH2 3.65Å; P588-W691 HydrophobicContact CG-CZ2 3.64Å
589E90.8Very high88.7Confident40 Ų4040.5 Ų40.519%0.18723%0.227CC..Hα-helixtrans-69.6-47.3177.4176170.5157.900110.3K192 D587 A591 T592 Q593K192-E589 IonicContact NZ-OE1 2.65Å; K192-E589 PolarHBondContact NZ-OE1 3.07Å; D587-E589 VanDerWaalsContact C-N 3.3Å; D587-E589 PolarHBondContact O-N 3.14Å; D587-E589 PolarHBondContact OD1-N 3.25Å; E589-A591 VanDerWaalsContact C-N 3.3Å; E589-A591 PolarHBondContact O-N 2.94Å; E589-T592 PolarHBondContact O-N 2.74Å; E589-T592 PolarHBondContact O-OG1 2.9Å; E589-Q593 WeakPolarHBondContact O-CG 3.44Å; E589-Q593 PolarHBondContact O-N 3.4Å
590L90.1Very high88.7Confident56 Ų5640.4 Ų40.429%0.29323%0.226SC..Hα-helixtrans-61.7-36.3171.2-170.461.9000112.6L585 D587 Q593 Q594L585-L590 HydrophobicContact CD1-CB 3.88Å; L585-L590 HydrophobicContact CD1-CD2 3.76Å; L585-L590 HydrophobicContact CD1-CG 3.58Å; D587-L590 HydrophobicContact CB-CB 4.02Å; D587-L590 PolarHBondContact O-N 3.2Å; D587-L590 PolarHBondContact OD2-N 3.38Å; L590-Q593 WeakPolarHBondContact O-CB 3.33Å; L590-Q593 PolarHBondContact O-N 3Å; L590-Q594 WeakPolarHBondContact O-CG 3.48Å; L590-Q594 PolarHBondContact O-N 3.1Å
591A93Very high88.7Confident1 Ų141.5 Ų41.51%0.00823%0.228CC..Hα-helixtrans-64.9-41.3177.800000112.9I579 L585 D587 P588 E589 Q594 F595 W677I579-A591 HydrophobicContact CD1-CB 4.46Å; I579-A591 HydrophobicContact CG2-CB 4.23Å; L585-A591 HydrophobicContact CD1-CB 4.25Å; L585-A591 HydrophobicContact CD2-CB 4.34Å; L585-A591 HydrophobicContact CG-CB 4.06Å; D587-A591 WeakPolarHBondContact O-CB 3.48Å; D587-A591 PolarHBondContact O-N 2.96Å; P588-A591 PolarHBondContact O-N 3.44Å; E589-A591 VanDerWaalsContact C-N 3.3Å; E589-A591 PolarHBondContact O-N 2.94Å; A591-Q594 PolarHBondContact O-N 3.37Å; A591-F595 PolarHBondContact O-N 3.16Å; A591-W677 HydrophobicContact CB-CH2 3.72Å; A591-W677 HydrophobicContact CB-CZ3 3.78Å
592T94.8Very high89Confident0 Ų037.5 Ų37.50%021%0.205CC..Hα-helixtrans-70.5-29.7174.151.10000112.7P588 E589 C596 T616 C617 W675 P676 W677P588-T592 PolarHBondContact O-N 2.75Å; P588-T592 PolarHBondContact O-OG1 2.87Å; P588-T592 VanDerWaalsContact O-OG1 3.1Å; E589-T592 PolarHBondContact O-N 2.74Å; E589-T592 PolarHBondContact O-OG1 2.9Å; T592-C596 WeakPolarHBondContact O-CB 3.4Å; T592-C596 PolarHBondContact O-N 2.81Å; T592-T616 WeakPolarHBondContact OG1-CA 3.44Å; T592-C617 PolarHBondContact OG1-N 3.14Å; T592-W675 HydrophobicContact CG2-CZ2 4.17Å; T592-P676 HydrophobicContact CG2-CG 4.34Å; T592-P676 WeakPolarHBondContact CG2-O 3.43Å; T592-W677 HydrophobicContact CG2-CE3 4.12Å; T592-W677 HydrophobicContact CG2-CZ3 4.14Å
593Q92.2Very high89.4Confident9 Ų934.8 Ų34.84%0.04219%0.19CC..Hα-helixtrans-64.1-46.7168.5-69.8173.23800111.7L171 E589 L590 F595 C596 I597 T616L171-Q593 HydrophobicContact CD2-CG 3.83Å; E589-Q593 WeakPolarHBondContact O-CG 3.44Å; E589-Q593 PolarHBondContact O-N 3.4Å; L590-Q593 WeakPolarHBondContact O-CB 3.33Å; L590-Q593 PolarHBondContact O-N 3Å; Q593-F595 VanDerWaalsContact C-N 3.34Å; Q593-F595 PolarHBondContact O-N 2.87Å; Q593-C596 WeakPolarHBondContact O-CB 3.47Å; Q593-C596 PolarHBondContact O-N 3.03Å; Q593-C596 VanDerWaalsContact O-N 3.15Å; Q593-I597 WeakPolarHBondContact O-CD1 3.31Å; Q593-I597 VanDerWaalsContact O-CG1 3.26Å; Q593-I597 WeakPolarHBondContact O-CG1 3.44Å; Q593-I597 PolarHBondContact O-N 3.25Å; Q593-T616 HydrophobicContact CG-CG2 4.28Å
594Q92.4Very high90.1Very high55 Ų5530.2 Ų30.226%0.25716%0.16SC..Hα-helixtrans-61.4-41.3176.3-65.8-55.4-37.600112.1L578 L585 L590 A591 C596 I597 G598L578-Q594 CarbonylContact O-C 3.4Å; L578-Q594 VanDerWaalsContact O-C 3.31Å; L585-Q594 HydrophobicContact CD1-CG 4.35Å; L585-Q594 HydrophobicContact CD2-CG 4.3Å; L590-Q594 WeakPolarHBondContact O-CG 3.48Å; L590-Q594 PolarHBondContact O-N 3.1Å; A591-Q594 PolarHBondContact O-N 3.37Å; Q594-C596 VanDerWaalsContact C-N 3.33Å; Q594-C596 PolarHBondContact O-N 2.95Å; Q594-I597 PolarHBondContact O-N 3.46Å; Q594-G598 PolarHBondContact O-N 2.94Å
595F95.8Very high90.5Very high0 Ų032.7 Ų32.70%016%0.156CC..Hα-helixtrans-53.2-50.8171.5-177.8-75.3000111.5L578 I579 A591 Q593 I597 G598 F599 F614 Y641 H643 P676 D678L578-F595 HydrophobicContact CB-CD2 3.78Å; L578-F595 HydrophobicContact CB-CE2 4.07Å; L578-F595 HydrophobicContact CB-CG 4.32Å; L578-F595 HydrophobicContact CD1-CD2 4.01Å; L578-F595 HydrophobicContact CD1-CE1 4.22Å; L578-F595 HydrophobicContact CD1-CE2 3.46Å; L578-F595 VanDerWaalsContact CD1-CE2 3.46Å; L578-F595 HydrophobicContact CD1-CZ 3.56Å; L578-F595 HydrophobicContact CG-CE2 4.42Å; L578-F595 VanDerWaalsContact O-CA 3.3Å; L578-F595 WeakPolarHBondContact O-CA 3.46Å; L578-F595 PolarHBondContact O-N 3.1Å; I579-F595 HydrophobicContact CD1-CB 4.45Å; I579-F595 HydrophobicContact CD1-CD2 4.47Å; I579-F595 HydrophobicContact CG1-CB 3.99Å; I579-F595 HydrophobicContact CG1-CD2 4.23Å; A591-F595 PolarHBondContact O-N 3.16Å; Q593-F595 VanDerWaalsContact C-N 3.34Å; Q593-F595 PolarHBondContact O-N 2.87Å; F595-I597 PolarHBondContact O-N 2.83Å; F595-G598 PolarHBondContact O-N 3.45Å; F595-F599 HydrophobicContact CD1-CB 4.29Å; F595-F599 HydrophobicContact CE1-CB 4.01Å; F595-F599 AromaticContact CE1-CD2 3.82Å; F595-F599 HydrophobicContact CE1-CD2 3.82Å; F595-F599 HydrophobicContact CE1-CG 4.19Å; F595-F599 HydrophobicContact CZ-CD2 4.09Å; F595-F599 VanDerWaalsContact O-CB 3.23Å; F595-F599 WeakPolarHBondContact O-CB 3.41Å; F595-F599 PolarHBondContact O-N 2.93Å; F595-F614 HydrophobicContact CE1-CD1 4.44Å; F595-F614 AromaticContact CE1-CE1 3.93Å; F595-F614 HydrophobicContact CE1-CE1 3.93Å; F595-F614 HydrophobicContact CE1-CE2 4.38Å; F595-F614 AromaticContact CE1-CZ 3.89Å; F595-F614 HydrophobicContact CE1-CZ 3.89Å; F595-Y641 AromaticContact CZ-CD1 3.78Å; F595-Y641 HydrophobicContact CZ-CD1 3.78Å; F595-Y641 AromaticContact CZ-CE1 3.84Å; F595-Y641 HydrophobicContact CZ-CE1 3.84Å; F595-H643 HydrophobicContact CE2-CB 3.86Å; F595-H643 HydrophobicContact CZ-CB 4.3Å; F595-P676 HydrophobicContact CD1-CB 3.38Å; F595-P676 HydrophobicContact CD1-CG 3.69Å; F595-P676 HydrophobicContact CD2-CB 4.14Å; F595-P676 HydrophobicContact CE1-CB 3.38Å; F595-P676 HydrophobicContact CE1-CG 4.15Å; F595-P676 HydrophobicContact CE2-CB 4.1Å; F595-P676 HydrophobicContact CG-CB 3.81Å; F595-P676 HydrophobicContact CG-CG 4.1Å; F595-P676 HydrophobicContact CZ-CB 3.76Å; F595-D678 HydrophobicContact CD2-CB 4.11Å; F595-D678 HydrophobicContact CE2-CB 4.33Å
596C94.8Very high90.5Very high0 Ų036.2 Ų36.20%018%0.175CC..Hα-helixtrans-60.1-46.1-178.6-172.80000111.3I175 T592 Q593 Q594 F599 L600 T616I175-C596 HydrophobicContact CD1-CB 4.22Å; T592-C596 WeakPolarHBondContact O-CB 3.4Å; T592-C596 PolarHBondContact O-N 2.81Å; Q593-C596 WeakPolarHBondContact O-CB 3.47Å; Q593-C596 PolarHBondContact O-N 3.03Å; Q593-C596 VanDerWaalsContact O-N 3.15Å; Q594-C596 VanDerWaalsContact C-N 3.33Å; Q594-C596 PolarHBondContact O-N 2.95Å; C596-F599 PolarHBondContact O-N 2.84Å; C596-L600 WeakPolarHBondContact O-CB 3.44Å; C596-L600 WeakPolarHBondContact O-CD1 3.45Å; C596-L600 VanDerWaalsContact O-CG 3.24Å; C596-L600 WeakPolarHBondContact O-CG 3.47Å; C596-L600 PolarHBondContact O-N 2.92Å; C596-T616 HydrophobicContact CB-CG2 4.03Å
597I91.6Very high90.1Very high14 Ų1430.1 Ų30.17%0.07215%0.153CC..Hα-helixtrans-57.4-52.5176.6-64162.3000111.1I175 T179 C190 Q593 Q594 F595 F599 L600 Q601I175-I597 HydrophobicContact CD1-CG1 4.19Å; I175-I597 HydrophobicContact CG1-CG1 4.47Å; I175-I597 HydrophobicContact CG2-CB 4.23Å; I175-I597 HydrophobicContact CG2-CG1 3.57Å; T179-I597 HydrophobicContact CG2-CG2 4.15Å; C190-I597 HydrophobicContact CB-CD1 3.73Å; C190-I597 HydrophobicContact CB-CG1 3.82Å; Q593-I597 WeakPolarHBondContact O-CD1 3.31Å; Q593-I597 VanDerWaalsContact O-CG1 3.26Å; Q593-I597 WeakPolarHBondContact O-CG1 3.44Å; Q593-I597 PolarHBondContact O-N 3.25Å; Q594-I597 PolarHBondContact O-N 3.46Å; F595-I597 PolarHBondContact O-N 2.83Å; I597-F599 VanDerWaalsContact C-N 3.34Å; I597-F599 PolarHBondContact O-N 2.9Å; I597-L600 PolarHBondContact O-N 2.91Å; I597-Q601 WeakPolarHBondContact O-CB 3.48Å; I597-Q601 VanDerWaalsContact O-CG 3.27Å; I597-Q601 WeakPolarHBondContact O-CG 3.4Å; I597-Q601 PolarHBondContact O-N 2.92Å; I597-Q601 VanDerWaalsContact O-N 3.08Å
598G92.6Very high89.6Confident13 Ų1329.8 Ų29.813%0.13415%0.153CC..Hα-helixtrans-64.2-37.7179.700000112.8L578 Q594 F595 R602L578-G598 VanDerWaalsContact CD2-C 3.41Å; Q594-G598 PolarHBondContact O-N 2.94Å; F595-G598 PolarHBondContact O-N 3.45Å; G598-R602 WeakPolarHBondContact O-CG 3.44Å; G598-R602 PolarHBondContact O-N 2.79Å
599F95.5Very high89.3Confident0 Ų030.7 Ų30.70%016%0.159CC..Hα-helixtrans-64.5-49.6178.9-173.9-77.9000110.7L578 F595 C596 I597 Q601 R602 Y603 P612 F614 C654 L658L578-F599 HydrophobicContact CD1-CD2 4.25Å; F595-F599 HydrophobicContact CD1-CB 4.29Å; F595-F599 HydrophobicContact CE1-CB 4.01Å; F595-F599 AromaticContact CE1-CD2 3.82Å; F595-F599 HydrophobicContact CE1-CD2 3.82Å; F595-F599 HydrophobicContact CE1-CG 4.19Å; F595-F599 HydrophobicContact CZ-CD2 4.09Å; F595-F599 VanDerWaalsContact O-CB 3.23Å; F595-F599 WeakPolarHBondContact O-CB 3.41Å; F595-F599 PolarHBondContact O-N 2.93Å; C596-F599 PolarHBondContact O-N 2.84Å; I597-F599 VanDerWaalsContact C-N 3.34Å; I597-F599 PolarHBondContact O-N 2.9Å; F599-Q601 PolarHBondContact O-N 3.39Å; F599-R602 PolarHBondContact O-N 3.5Å; F599-R602 VanDerWaalsContact O-N 3.17Å; F599-Y603 AromaticContact CD1-CD2 3.94Å; F599-Y603 HydrophobicContact CD1-CD2 3.94Å; F599-Y603 AromaticContact CD2-CD2 3.6Å; F599-Y603 HydrophobicContact CD2-CD2 3.6Å; F599-Y603 AromaticContact CD2-CE2 3.84Å; F599-Y603 HydrophobicContact CD2-CE2 3.84Å; F599-Y603 AromaticContact CE1-CD2 3.85Å; F599-Y603 HydrophobicContact CE1-CD2 3.85Å; F599-Y603 HydrophobicContact CE1-CG 4.28Å; F599-Y603 AromaticContact CE2-CD2 3.52Å; F599-Y603 HydrophobicContact CE2-CD2 3.52Å; F599-Y603 AromaticContact CE2-CE2 3.82Å; F599-Y603 HydrophobicContact CE2-CE2 3.82Å; F599-Y603 HydrophobicContact CE2-CG 4.45Å; F599-Y603 AromaticContact CG-CD2 3.8Å; F599-Y603 HydrophobicContact CG-CD2 3.8Å; F599-Y603 HydrophobicContact CG-CE2 4.39Å; F599-Y603 AromaticContact CZ-CD2 3.63Å; F599-Y603 HydrophobicContact CZ-CD2 3.63Å; F599-Y603 HydrophobicContact CZ-CE2 4.36Å; F599-Y603 HydrophobicContact CZ-CG 4.17Å; F599-Y603 WeakPolarHBondContact O-CD2 3.46Å; F599-Y603 PolarHBondContact O-N 3.3Å; F599-P612 HydrophobicContact CE1-CG 4.02Å; F599-P612 HydrophobicContact CZ-CG 4.11Å; F599-F614 HydrophobicContact CB-CE2 4.43Å; F599-F614 AromaticContact CD1-CE2 3.59Å; F599-F614 HydrophobicContact CD1-CE2 3.59Å; F599-F614 HydrophobicContact CD1-CZ 4.1Å; F599-F614 HydrophobicContact CD2-CE2 4.14Å; F599-F614 AromaticContact CD2-CZ 3.88Å; F599-F614 HydrophobicContact CD2-CZ 3.88Å; F599-F614 AromaticContact CE1-CE2 3.83Å; F599-F614 HydrophobicContact CE1-CE2 3.83Å; F599-F614 HydrophobicContact CE1-CZ 4.1Å; F599-F614 HydrophobicContact CE2-CE2 4.33Å; F599-F614 AromaticContact CE2-CZ 3.86Å; F599-F614 HydrophobicContact CE2-CZ 3.86Å; F599-F614 AromaticContact CG-CE2 3.78Å; F599-F614 HydrophobicContact CG-CE2 3.78Å; F599-F614 HydrophobicContact CG-CZ 4.02Å; F599-F614 HydrophobicContact CZ-CE2 4.21Å; F599-F614 AromaticContact CZ-CZ 3.99Å; F599-F614 HydrophobicContact CZ-CZ 3.99Å; F599-C654 HydrophobicContact CE2-CB 4.33Å; F599-C654 VanDerWaalsContact CE2-SG 3.57Å; F599-C654 HydrophobicContact CZ-CB 4.3Å; F599-L658 HydrophobicContact CE2-CD2 3.71Å; F599-L658 HydrophobicContact CZ-CD2 3.78Å
600L92.3Very high89Confident0 Ų031.3 Ų31.30%016%0.162CC..Hα-helixtrans-60.7-43.9179.1-72.4165000111.5I175 Q176 C596 I597 R602 C604 R605 S611I175-L600 HydrophobicContact CB-CD1 3.71Å; I175-L600 HydrophobicContact CG2-CD1 3.41Å; I175-L600 VanDerWaalsContact CG2-CD1 3.41Å; Q176-L600 HydrophobicContact CB-CD1 4.27Å; Q176-L600 HydrophobicContact CB-CD2 3.86Å; Q176-L600 HydrophobicContact CG-CD2 4.05Å; C596-L600 WeakPolarHBondContact O-CB 3.44Å; C596-L600 WeakPolarHBondContact O-CD1 3.45Å; C596-L600 VanDerWaalsContact O-CG 3.24Å; C596-L600 WeakPolarHBondContact O-CG 3.47Å; C596-L600 PolarHBondContact O-N 2.92Å; I597-L600 PolarHBondContact O-N 2.91Å; L600-R602 PolarHBondContact O-N 3.24Å; L600-C604 HydrophobicContact CD2-CB 3.6Å; L600-C604 CarbonylContact O-C 3.57Å; L600-C604 PolarHBondContact O-N 2.83Å; L600-R605 PolarHBondContact O-N 3.49Å; L600-R605 VanDerWaalsContact O-N 3.12Å; L600-S611 WeakPolarHBondContact CD2-OG 3.33Å
601Q90.3Very high88.9Confident68 Ų6829 Ų2932%0.31815%0.151SC..Hα-helixtrans-62.1-26.4176.9-73.8177.910.100114.4T179 P573 I597 F599 R605T179-Q601 HydrophobicContact CG2-CG 3.86Å; P573-Q601 HydrophobicContact CB-CB 3.92Å; P573-Q601 HydrophobicContact CG-CB 3.94Å; I597-Q601 WeakPolarHBondContact O-CB 3.48Å; I597-Q601 VanDerWaalsContact O-CG 3.27Å; I597-Q601 WeakPolarHBondContact O-CG 3.4Å; I597-Q601 PolarHBondContact O-N 2.92Å; I597-Q601 VanDerWaalsContact O-N 3.08Å; F599-Q601 PolarHBondContact O-N 3.39Å; Q601-R605 WeakPolarHBondContact O-CD 3.38Å
602R92.2Very high88.9Confident14 Ų1429 Ų295%0.05315%0.151CC..Hα-helixtrans-88.6-49.2175.4-70.4-179.9-176.1-171.6-3112.8P573 W574 Q576 G598 F599 L600 D645P573-R602 HydrophobicContact CB-CG 3.96Å; P573-R602 PolarHBondContact O-NE 3.26Å; P573-R602 PolarHBondContact O-NH2 3.04Å; W574-R602 HydrophobicContact CD2-CB 4.42Å; W574-R602 HydrophobicContact CD2-CG 4.04Å; W574-R602 HydrophobicContact CE3-CB 4.36Å; W574-R602 HydrophobicContact CE3-CG 4.11Å; W574-R602 HydrophobicContact CH2-CB 3.94Å; W574-R602 WeakPolarHBondContact CH2-O 3.35Å; W574-R602 HydrophobicContact CZ2-CB 3.99Å; W574-R602 HydrophobicContact CZ2-CG 4.49Å; W574-R602 WeakPolarHBondContact CZ2-O 3.43Å; W574-R602 HydrophobicContact CZ3-CB 4.13Å; W574-R602 HydrophobicContact CZ3-CG 4.36Å; Q576-R602 PolarHBondContact O-NH2 2.7Å; G598-R602 WeakPolarHBondContact O-CG 3.44Å; G598-R602 PolarHBondContact O-N 2.79Å; F599-R602 PolarHBondContact O-N 3.5Å; F599-R602 VanDerWaalsContact O-N 3.17Å; L600-R602 PolarHBondContact O-N 3.24Å; R602-D645 IonicContact CZ-OD1 2.69Å; R602-D645 IonicContact CZ-OD2 3.15Å; R602-D645 IonicContact NH1-OD1 3.68Å; R602-D645 PolarHBondContact NH1-OD1 2.97Å; R602-D645 IonicContact NH1-OD2 2.76Å; R602-D645 IonicContact NH2-OD1 2.62Å; R602-D645 PolarHBondContact NH2-OD1 3.32Å; R602-D645 IonicContact NH2-OD2 3.78Å; R602-D645 PolarHBondContact NH2-OD2 3.44Å
603Y93.1Very high88.7Confident15 Ų1531 Ų316%0.05916%0.164CC..Hα-helixtrans-112.6-13.4-162-53.9-67.5000115.2W574 F599 T609 H643 H651 C654 Q655W574-Y603 HydrophobicContact CH2-CD1 4.01Å; W574-Y603 AromaticContact CH2-CE1 3.83Å; W574-Y603 HydrophobicContact CH2-CE1 3.83Å; W574-Y603 HydrophobicContact CZ3-CD1 4.38Å; W574-Y603 AromaticContact CZ3-CE1 3.74Å; W574-Y603 HydrophobicContact CZ3-CE1 3.74Å; F599-Y603 AromaticContact CD1-CD2 3.94Å; F599-Y603 HydrophobicContact CD1-CD2 3.94Å; F599-Y603 AromaticContact CD2-CD2 3.6Å; F599-Y603 HydrophobicContact CD2-CD2 3.6Å; F599-Y603 AromaticContact CD2-CE2 3.84Å; F599-Y603 HydrophobicContact CD2-CE2 3.84Å; F599-Y603 AromaticContact CE1-CD2 3.85Å; F599-Y603 HydrophobicContact CE1-CD2 3.85Å; F599-Y603 HydrophobicContact CE1-CG 4.28Å; F599-Y603 AromaticContact CE2-CD2 3.52Å; F599-Y603 HydrophobicContact CE2-CD2 3.52Å; F599-Y603 AromaticContact CE2-CE2 3.82Å; F599-Y603 HydrophobicContact CE2-CE2 3.82Å; F599-Y603 HydrophobicContact CE2-CG 4.45Å; F599-Y603 AromaticContact CG-CD2 3.8Å; F599-Y603 HydrophobicContact CG-CD2 3.8Å; F599-Y603 HydrophobicContact CG-CE2 4.39Å; F599-Y603 AromaticContact CZ-CD2 3.63Å; F599-Y603 HydrophobicContact CZ-CD2 3.63Å; F599-Y603 HydrophobicContact CZ-CE2 4.36Å; F599-Y603 HydrophobicContact CZ-CG 4.17Å; F599-Y603 WeakPolarHBondContact O-CD2 3.46Å; F599-Y603 PolarHBondContact O-N 3.3Å; Y603-T609 VanDerWaalsContact O-CG2 3.26Å; Y603-T609 WeakPolarHBondContact O-CG2 3.34Å; Y603-H643 PolarHBondContact OH-CE1 3.21Å; Y603-H643 PolarHBondContact OH-NE2 3.16Å; Y603-H651 HydrophobicContact CE1-CB 4.47Å; Y603-H651 AromaticContact CZ-ND1 3.94Å; Y603-H651 PolarHBondContact OH-ND1 3.44Å; Y603-C654 HydrophobicContact CD1-CB 3.73Å; Y603-C654 HydrophobicContact CD2-CB 4.09Å; Y603-C654 HydrophobicContact CE1-CB 3.59Å; Y603-C654 HydrophobicContact CE2-CB 3.97Å; Y603-C654 HydrophobicContact CG-CB 3.99Å; Y603-Q655 HydrophobicContact CD1-CG 4.32Å
604C89.6Confident88.9Confident3 Ų331 Ų312%0.0216%0.163CC..SBendtrans-131.215.8-174.8-53.90000113.3L600 D606 G607 T609L600-C604 HydrophobicContact CD2-CB 3.6Å; L600-C604 CarbonylContact O-C 3.57Å; L600-C604 PolarHBondContact O-N 2.83Å; C604-D606 VanDerWaalsContact C-N 3.28Å; C604-D606 PolarHBondContact O-N 2.91Å; C604-G607 PolarHBondContact O-N 3.04Å; C604-T609 WeakPolarHBondContact CB-O 3.31Å
605R81.9Confident88.9Confident136 Ų13629.3 Ų29.351%0.51316%0.158SC..THydrogen-bonded Turntrans-77.2-12.8-173.8-172.1172.7178.8-125.5-5.2113.8P181 L600 Q601 G607P181-R605 WeakPolarHBondContact CD-O 3.34Å; P181-R605 WeakPolarHBondContact CG-O 3.47Å; L600-R605 PolarHBondContact O-N 3.49Å; L600-R605 VanDerWaalsContact O-N 3.12Å; Q601-R605 WeakPolarHBondContact O-CD 3.38Å; R605-G607 PolarHBondContact O-N 3.25Å
606D79.8Confident88.8Confident87 Ų8730 Ų3047%0.46516%0.163SC..THydrogen-bonded Turntrans-70.6-16.3171.561.2-17.6000113.3C604 V608 T609C604-D606 VanDerWaalsContact C-N 3.28Å; C604-D606 PolarHBondContact O-N 2.91Å; D606-V608 PolarHBondContact O-N 3.12Å; D606-T609 VanDerWaalsContact CG-N 3.32Å; D606-T609 VanDerWaalsContact OD1-CB 3.24Å; D606-T609 WeakPolarHBondContact OD1-CB 3.22Å; D606-T609 PolarHBondContact OD1-N 3.42Å; D606-T609 PolarHBondContact OD1-OG1 3.3Å; D606-T609 VanDerWaalsContact OD2-CB 3.31Å; D606-T609 WeakPolarHBondContact OD2-CB 3.35Å; D606-T609 PolarHBondContact OD2-N 2.92Å; D606-T609 VanDerWaalsContact OD2-N 3.1Å; D606-T609 PolarHBondContact OD2-OG1 2.99Å
607G70.2Confident88.7Confident23 Ų2331 Ų3124%0.23717%0.169CC..SBendtrans79.9-35.1-174.700000113.2C604 R605C604-G607 PolarHBondContact O-N 3.04Å; R605-G607 PolarHBondContact O-N 3.25Å
608V76.7Confident88.8Confident69 Ų6931.8 Ų31.842%0.41818%0.176SC..SBendtrans-69.6-41.3176.8-173.10000112.2D606 M610D606-V608 PolarHBondContact O-N 3.12Å; V608-M610 PolarHBondContact O-N 2.78Å
609T84.7Confident88.9Confident42 Ų4231.6 Ų31.626%0.25817%0.171SC..SBendtrans-76.4115.4-177.8-62.90000110.3Q176 Y603 C604 D606 C659Q176-T609 PolarHBondContact NE2-O 3.15Å; Q176-T609 VanDerWaalsContact NE2-O 3.11Å; Y603-T609 VanDerWaalsContact O-CG2 3.26Å; Y603-T609 WeakPolarHBondContact O-CG2 3.34Å; C604-T609 WeakPolarHBondContact CB-O 3.31Å; D606-T609 VanDerWaalsContact CG-N 3.32Å; D606-T609 VanDerWaalsContact OD1-CB 3.24Å; D606-T609 WeakPolarHBondContact OD1-CB 3.22Å; D606-T609 PolarHBondContact OD1-N 3.42Å; D606-T609 PolarHBondContact OD1-OG1 3.3Å; D606-T609 VanDerWaalsContact OD2-CB 3.31Å; D606-T609 WeakPolarHBondContact OD2-CB 3.35Å; D606-T609 PolarHBondContact OD2-N 2.92Å; D606-T609 VanDerWaalsContact OD2-N 3.1Å; D606-T609 PolarHBondContact OD2-OG1 2.99Å; T609-C659 HydrophobicContact CG2-CB 3.63Å
610M84.8Confident88.9Confident52 Ų5235.7 Ų35.726%0.25619%0.19SC..PPolyproline II helixtrans-65.4138.6179.2-71.3-58.7-4800112.1K145 V608 I664K145-M610 HydrophobicContact CD-SD 4.2Å; K145-M610 PolarHBondContact NZ-SD 3.37Å; V608-M610 PolarHBondContact O-N 2.78Å; M610-I664 HydrophobicContact CB-CD1 3.62Å; M610-I664 VanDerWaalsContact O-CD1 3.26Å; M610-I664 WeakPolarHBondContact O-CD1 3.23Å
611S88.7Confident89Confident9 Ų938.4 Ų38.46%0.06321%0.207CC..PPolyproline II helixtrans-68.9141.6168.6-169.60000112T172 L600T172-S611 WeakPolarHBondContact CG2-OG 3.38Å; L600-S611 WeakPolarHBondContact CD2-OG 3.33Å
612P93.8Very high89.3Confident0 Ų035.2 Ų35.20%019%0.192CC..PPolyproline II helixtrans-58.3149.8158-18.831.3000111.4F599 F614 L658 L674F599-P612 HydrophobicContact CE1-CG 4.02Å; F599-P612 HydrophobicContact CZ-CG 4.11Å; P612-F614 HydrophobicContact CB-CD2 4.16Å; P612-F614 HydrophobicContact CB-CE1 4.17Å; P612-F614 HydrophobicContact CB-CE2 3.75Å; P612-F614 HydrophobicContact CB-CZ 3.76Å; P612-F614 HydrophobicContact CG-CE2 3.7Å; P612-F614 HydrophobicContact CG-CZ 3.71Å; P612-F614 WeakPolarHBondContact O-CD2 3.34Å; P612-F614 PolarHBondContact O-N 2.99Å; P612-L658 HydrophobicContact CB-CG 4.33Å; P612-L658 HydrophobicContact CG-CD2 4.11Å; P612-L658 HydrophobicContact CG-CG 3.78Å; P612-L674 HydrophobicContact CB-CD2 3.55Å
613P90.5Very high89.5Confident42 Ų4235 Ų3527%0.27319%0.192SC..  trans-77.967.9-178.532.4-35.7000111.9L667P613-L667 HydrophobicContact CG-CB 3.73Å; P613-L667 HydrophobicContact CG-CD1 4.08Å
614F95.8Very high89.6Confident8 Ų837.1 Ų37.14%0.03521%0.209CC..BIsolated β-bridgetrans-67131.7-176.9-68.5-63.3000112.7T172 F595 F599 P612 T616 L658 L674 P676T172-F614 PolarHBondContact OG1-O 2.99Å; F595-F614 HydrophobicContact CE1-CD1 4.44Å; F595-F614 AromaticContact CE1-CE1 3.93Å; F595-F614 HydrophobicContact CE1-CE1 3.93Å; F595-F614 HydrophobicContact CE1-CE2 4.38Å; F595-F614 AromaticContact CE1-CZ 3.89Å; F595-F614 HydrophobicContact CE1-CZ 3.89Å; F599-F614 HydrophobicContact CB-CE2 4.43Å; F599-F614 AromaticContact CD1-CE2 3.59Å; F599-F614 HydrophobicContact CD1-CE2 3.59Å; F599-F614 HydrophobicContact CD1-CZ 4.1Å; F599-F614 HydrophobicContact CD2-CE2 4.14Å; F599-F614 AromaticContact CD2-CZ 3.88Å; F599-F614 HydrophobicContact CD2-CZ 3.88Å; F599-F614 AromaticContact CE1-CE2 3.83Å; F599-F614 HydrophobicContact CE1-CE2 3.83Å; F599-F614 HydrophobicContact CE1-CZ 4.1Å; F599-F614 HydrophobicContact CE2-CE2 4.33Å; F599-F614 AromaticContact CE2-CZ 3.86Å; F599-F614 HydrophobicContact CE2-CZ 3.86Å; F599-F614 AromaticContact CG-CE2 3.78Å; F599-F614 HydrophobicContact CG-CE2 3.78Å; F599-F614 HydrophobicContact CG-CZ 4.02Å; F599-F614 HydrophobicContact CZ-CE2 4.21Å; F599-F614 AromaticContact CZ-CZ 3.99Å; F599-F614 HydrophobicContact CZ-CZ 3.99Å; P612-F614 HydrophobicContact CB-CD2 4.16Å; P612-F614 HydrophobicContact CB-CE1 4.17Å; P612-F614 HydrophobicContact CB-CE2 3.75Å; P612-F614 HydrophobicContact CB-CZ 3.76Å; P612-F614 HydrophobicContact CG-CE2 3.7Å; P612-F614 HydrophobicContact CG-CZ 3.71Å; P612-F614 WeakPolarHBondContact O-CD2 3.34Å; P612-F614 PolarHBondContact O-N 2.99Å; F614-T616 PolarHBondContact O-N 3.19Å; F614-L658 HydrophobicContact CE1-CD2 4.3Å; F614-L658 HydrophobicContact CZ-CD2 3.91Å; F614-L674 CarbonylContact C-O 3.59Å; F614-L674 VanDerWaalsContact CA-O 3.27Å; F614-L674 WeakPolarHBondContact CA-O 3.37Å; F614-L674 HydrophobicContact CD1-CD2 3.75Å; F614-L674 HydrophobicContact CD1-CG 3.95Å; F614-L674 HydrophobicContact CE1-CD2 3.65Å; F614-L674 HydrophobicContact CE1-CG 4.13Å; F614-L674 HydrophobicContact CZ-CD2 4.43Å; F614-P676 HydrophobicContact CB-CG 4.26Å; F614-P676 HydrophobicContact CD1-CB 3.7Å; F614-P676 HydrophobicContact CD1-CG 3.8Å; F614-P676 HydrophobicContact CE1-CB 3.93Å; F614-P676 HydrophobicContact CG-CG 4.27Å
615S92.9Very high89.7Confident21 Ų2142.7 Ų42.715%0.14724%0.238CC..  trans-86.7106.2172.255.90000111.4C617 L674 W675S615-C617 VanDerWaalsContact C-N 3.31Å; S615-C617 PolarHBondContact O-N 3.42Å; S615-C617 VanDerWaalsContact O-N 3.11Å; S615-L674 PolarHBondContact N-O 3.03Å; S615-L674 PolarHBondContact OG-O 2.93Å; S615-W675 VanDerWaalsContact OG-CA 3.27Å; S615-W675 WeakPolarHBondContact OG-CA 3.42Å; S615-W675 WeakPolarHBondContact OG-CB 3.39Å; S615-W675 PolarHBondContact OG-N 3.42Å
616T93.1Very high90.4Very high15 Ų1536.3 Ų36.39%0.09222%0.215CC..  trans-86.366.1179.754.20000111.3L171 T592 Q593 C596 F614L171-T616 HydrophobicContact CD2-CG2 4.14Å; L171-T616 VanDerWaalsContact CD2-OG1 3.27Å; L171-T616 WeakPolarHBondContact CD2-OG1 3.29Å; T592-T616 WeakPolarHBondContact OG1-CA 3.44Å; Q593-T616 HydrophobicContact CG-CG2 4.28Å; C596-T616 HydrophobicContact CB-CG2 4.03Å; F614-T616 PolarHBondContact O-N 3.19Å
617C92Very high91.2Very high19 Ų1932.2 Ų32.213%0.12819%0.193CC..SBendtrans-148.6177.1-177670000111.9T592 S615 T621 W675T592-C617 PolarHBondContact OG1-N 3.14Å; S615-C617 VanDerWaalsContact C-N 3.31Å; S615-C617 PolarHBondContact O-N 3.42Å; S615-C617 VanDerWaalsContact O-N 3.11Å; C617-T621 HydrophobicContact CB-CG2 4.18Å; C617-W675 PolarHBondContact O-NE1 2.83Å
618S93.6Very high92.3Very high31 Ų3132.7 Ų32.722%0.21720%0.197CC..  trans-67.4150.2175.893.60000112E620 T621 A622S618-E620 PolarHBondContact O-N 3.09Å; S618-T621 WeakPolarHBondContact O-CA 3.41Å; S618-T621 WeakPolarHBondContact O-CB 3.3Å; S618-T621 PolarHBondContact O-N 2.82Å; S618-T621 PolarHBondContact OG-N 3.45Å; S618-T621 VanDerWaalsContact OG-N 3.14Å; S618-T621 PolarHBondContact OG-OG1 2.97Å; S618-A622 PolarHBondContact O-N 3.21Å
619F95.4Very high93Very high9 Ų931 Ų314%0.03919%0.187CC..Hα-helixtrans-56.4-36.5177.3175.9-123000113.2A622 L623 L638 I640 W675 W691 F692 K695 L696F619-A622 PolarHBondContact O-N 2.69Å; F619-L623 HydrophobicContact CD1-CD1 4.23Å; F619-L623 HydrophobicContact CD2-CG 4.41Å; F619-L623 HydrophobicContact CE1-CD1 3.67Å; F619-L623 HydrophobicContact CE1-CG 4.43Å; F619-L623 HydrophobicContact CE2-CD1 4.05Å; F619-L623 HydrophobicContact CE2-CD2 4.3Å; F619-L623 HydrophobicContact CE2-CG 3.92Å; F619-L623 HydrophobicContact CZ-CD1 3.56Å; F619-L623 HydrophobicContact CZ-CD2 4.28Å; F619-L623 HydrophobicContact CZ-CG 3.94Å; F619-L623 WeakPolarHBondContact O-CG 3.42Å; F619-L623 PolarHBondContact O-N 2.74Å; F619-L638 HydrophobicContact CE2-CD2 4.17Å; F619-I640 HydrophobicContact CE2-CD1 3.78Å; F619-I640 HydrophobicContact CZ-CD1 4.47Å; F619-W675 HydrophobicContact CB-CH2 4.08Å; F619-W675 HydrophobicContact CB-CZ2 3.74Å; F619-W675 HydrophobicContact CD2-CD2 4.2Å; F619-W675 HydrophobicContact CD2-CE3 4.04Å; F619-W675 HydrophobicContact CD2-CH2 4.49Å; F619-W675 HydrophobicContact CD2-CZ3 4.19Å; F619-W675 HydrophobicContact CG-CH2 4.5Å; F619-W691 HydrophobicContact CD1-CB 4.11Å; F619-W691 HydrophobicContact CE1-CB 4.39Å; F619-F692 HydrophobicContact CD1-CE1 4.46Å; F619-F692 HydrophobicContact CD2-CE1 4.32Å; F619-F692 AromaticContact CE1-CD1 3.91Å; F619-F692 HydrophobicContact CE1-CD1 3.91Å; F619-F692 AromaticContact CE1-CE1 3.91Å; F619-F692 HydrophobicContact CE1-CE1 3.91Å; F619-F692 AromaticContact CE2-CE1 3.78Å; F619-F692 HydrophobicContact CE2-CE1 3.78Å; F619-F692 AromaticContact CZ-CD1 3.84Å; F619-F692 HydrophobicContact CZ-CD1 3.84Å; F619-F692 AromaticContact CZ-CE1 3.54Å; F619-F692 HydrophobicContact CZ-CE1 3.54Å; F619-K695 HydrophobicContact CE1-CB 3.98Å; F619-K695 HydrophobicContact CE1-CG 4.18Å; F619-K695 HydrophobicContact CZ-CB 4.47Å; F619-L696 HydrophobicContact CE2-CD1 4.39Å; F619-L696 HydrophobicContact CZ-CD1 3.79Å; F619-L696 HydrophobicContact CZ-CG 4.41Å
620E94.7Very high93.2Very high87 Ų8734.9 Ų34.941%0.40722%0.216SC..Hα-helixtrans-70.1-37176.6-171.572.1164.700111.5S618 L623 S624 K695S618-E620 PolarHBondContact O-N 3.09Å; E620-L623 PolarHBondContact O-N 2.82Å; E620-S624 WeakPolarHBondContact O-CB 3.43Å; E620-S624 PolarHBondContact O-N 2.78Å; E620-S624 PolarHBondContact O-OG 2.64Å; E620-K695 IonicContact OE1-NZ 2.68Å; E620-K695 PolarHBondContact OE1-NZ 2.75Å; E620-K695 WeakPolarHBondContact OE2-CE 3.42Å; E620-K695 IonicContact OE2-NZ 3.1Å; E620-K695 PolarHBondContact OE2-NZ 2.83Å
621T95.2Very high93.5Very high56 Ų5636.7 Ų36.734%0.34422%0.224SC..Hα-helixtrans-63.2-45.7173.9-48.40000110.6C617 S618 S624 L625C617-T621 HydrophobicContact CB-CG2 4.18Å; S618-T621 WeakPolarHBondContact O-CA 3.41Å; S618-T621 WeakPolarHBondContact O-CB 3.3Å; S618-T621 PolarHBondContact O-N 2.82Å; S618-T621 PolarHBondContact OG-N 3.45Å; S618-T621 VanDerWaalsContact OG-N 3.14Å; S618-T621 PolarHBondContact OG-OG1 2.97Å; T621-S624 PolarHBondContact O-N 2.94Å; T621-L625 HydrophobicContact CG2-CD1 3.94Å; T621-L625 HydrophobicContact CG2-CG 4.45Å; T621-L625 WeakPolarHBondContact O-CG 3.42Å; T621-L625 PolarHBondContact O-N 2.91Å
622A96Very high93.7Very high2 Ų236.9 Ų36.92%0.01723%0.225CC..Hα-helixtrans-61.6-45.4175.800000112S618 F619 S624 L625 S626 L638 W675S618-A622 PolarHBondContact O-N 3.21Å; F619-A622 PolarHBondContact O-N 2.69Å; A622-S624 VanDerWaalsContact C-N 3.3Å; A622-S624 PolarHBondContact O-N 2.9Å; A622-L625 PolarHBondContact O-N 2.76Å; A622-S626 PolarHBondContact O-N 2.89Å; A622-S626 VanDerWaalsContact O-N 3.15Å; A622-S626 PolarHBondContact O-OG 3.39Å; A622-S626 VanDerWaalsContact O-OG 3.14Å; A622-L638 HydrophobicContact CB-CD1 3.87Å; A622-L638 HydrophobicContact CB-CD2 4.15Å; A622-W675 HydrophobicContact CB-CB 4.21Å; A622-W675 HydrophobicContact CB-CG 4.11Å
623L96.3Very high93.6Very high8 Ų839.7 Ų39.74%0.04224%0.244CC..Hα-helixtrans-58.4-42.2173-78.9175.3000112.1F619 E620 V627 G628 L638 K695 L724F619-L623 HydrophobicContact CD1-CD1 4.23Å; F619-L623 HydrophobicContact CD2-CG 4.41Å; F619-L623 HydrophobicContact CE1-CD1 3.67Å; F619-L623 HydrophobicContact CE1-CG 4.43Å; F619-L623 HydrophobicContact CE2-CD1 4.05Å; F619-L623 HydrophobicContact CE2-CD2 4.3Å; F619-L623 HydrophobicContact CE2-CG 3.92Å; F619-L623 HydrophobicContact CZ-CD1 3.56Å; F619-L623 HydrophobicContact CZ-CD2 4.28Å; F619-L623 HydrophobicContact CZ-CG 3.94Å; F619-L623 WeakPolarHBondContact O-CG 3.42Å; F619-L623 PolarHBondContact O-N 2.74Å; E620-L623 PolarHBondContact O-N 2.82Å; L623-V627 HydrophobicContact CB-CG2 4.4Å; L623-V627 HydrophobicContact CD2-CG2 3.65Å; L623-V627 WeakPolarHBondContact O-CG2 3.37Å; L623-V627 PolarHBondContact O-N 2.84Å; L623-G628 WeakPolarHBondContact O-CA 3.27Å; L623-G628 PolarHBondContact O-N 3.11Å; L623-L638 HydrophobicContact CD2-CD2 3.72Å; L623-L638 HydrophobicContact CG-CD2 4.03Å; L623-K695 HydrophobicContact CD1-CB 4.36Å; L623-K695 HydrophobicContact CD1-CD 4.21Å; L623-K695 HydrophobicContact CD1-CG 4.33Å; L623-L724 HydrophobicContact CD1-CD1 4.04Å; L623-L724 HydrophobicContact CD2-CD1 3.9Å; L623-L724 HydrophobicContact CD2-CD2 4.28Å
624S95.1Very high93.7Very high60 Ų6041.8 Ų41.842%0.4225%0.252SS..Hα-helixtrans-67.4-41-177.6-58.40000112.4E620 T621 A622 G628 T629E620-S624 WeakPolarHBondContact O-CB 3.43Å; E620-S624 PolarHBondContact O-N 2.78Å; E620-S624 PolarHBondContact O-OG 2.64Å; T621-S624 PolarHBondContact O-N 2.94Å; A622-S624 VanDerWaalsContact C-N 3.3Å; A622-S624 PolarHBondContact O-N 2.9Å; S624-G628 CarbonylContact O-C 3.14Å; S624-G628 VanDerWaalsContact O-C 3.27Å; S624-G628 WeakPolarHBondContact O-CA 3.24Å; S624-T629 PolarHBondContact O-N 3.07Å
625L93.4Very high93.7Very high120 Ų12042.8 Ų42.863%0.62826%0.256SS*.Hα-helixtrans-77-33.3-177-68.7173.8000113.8T621 A622 T629T621-L625 HydrophobicContact CG2-CD1 3.94Å; T621-L625 HydrophobicContact CG2-CG 4.45Å; T621-L625 WeakPolarHBondContact O-CG 3.42Å; T621-L625 PolarHBondContact O-N 2.91Å; A622-L625 PolarHBondContact O-N 2.76Å; L625-T629 VanDerWaalsContact O-CG2 3.24Å; L625-T629 WeakPolarHBondContact O-CG2 3.45Å
626S96.3Very high93.9Very high3 Ų344.7 Ų44.72%0.02126%0.262CS..Hα-helixtrans-93.4-65.4179.9-31.70000112.5A622 K636 S673A622-S626 PolarHBondContact O-N 2.89Å; A622-S626 VanDerWaalsContact O-N 3.15Å; A622-S626 PolarHBondContact O-OG 3.39Å; A622-S626 VanDerWaalsContact O-OG 3.14Å; S626-K636 CarbonylContact C-O 3.5Å; S626-K636 VanDerWaalsContact CB-O 3.32Å; S626-K636 WeakPolarHBondContact CB-O 3.39Å; S626-K636 PolarHBondContact O-N 3.41Å; S626-K636 VanDerWaalsContact O-O 3.06Å; S626-S673 VanDerWaalsContact OG-CB 3.32Å; S626-S673 WeakPolarHBondContact OG-CB 3.24Å; S626-S673 PolarHBondContact OG-OG 2.98Å
627V95.9Very high94.1Very high1 Ų144 Ų441%0.00626%0.257CS..THydrogen-bonded Turntrans-98.3-14.1-170.1-65.60000113.5L623 K636 L638 I717 K719 L724L623-V627 HydrophobicContact CB-CG2 4.4Å; L623-V627 HydrophobicContact CD2-CG2 3.65Å; L623-V627 WeakPolarHBondContact O-CG2 3.37Å; L623-V627 PolarHBondContact O-N 2.84Å; V627-K636 WeakPolarHBondContact CG1-O 3.34Å; V627-K636 PolarHBondContact N-O 2.62Å; V627-L638 HydrophobicContact CG1-CB 4.25Å; V627-I717 WeakPolarHBondContact CG1-O 3.41Å; V627-K719 HydrophobicContact CB-CB 4.03Å; V627-K719 WeakPolarHBondContact O-CB 3.28Å; V627-K719 WeakPolarHBondContact O-CD 3.45Å; V627-L724 HydrophobicContact CB-CD2 4.35Å; V627-L724 HydrophobicContact CG2-CD2 3.68Å
628G93.5Very high94.4Very high32 Ų3243 Ų4333%0.3325%0.251SS..SBendtrans-96.94.2-175.300000114.9L623 S624L623-G628 WeakPolarHBondContact O-CA 3.27Å; L623-G628 PolarHBondContact O-N 3.11Å; S624-G628 CarbonylContact O-C 3.14Å; S624-G628 VanDerWaalsContact O-C 3.27Å; S624-G628 WeakPolarHBondContact O-CA 3.24Å
629T92.1Very high94.7Very high33 Ų3341.6 Ų41.620%0.20224%0.241CC..  trans-56.1149.5-177.551.50000112.9S624 L625 Q631 R635S624-T629 PolarHBondContact O-N 3.07Å; L625-T629 VanDerWaalsContact O-CG2 3.24Å; L625-T629 WeakPolarHBondContact O-CG2 3.45Å; T629-Q631 PolarHBondContact O-N 3.16Å; T629-Q631 PolarHBondContact OG1-O 3.42Å; T629-R635 WeakPolarHBondContact OG1-CA 3.49Å; T629-R635 VanDerWaalsContact OG1-CG 3.25Å; T629-R635 WeakPolarHBondContact OG1-CG 3.49Å; T629-R635 PolarHBondContact OG1-N 3.3Å
630S88.3Confident94.8Very high125 Ų12541.1 Ų41.187%0.87424%0.239SC*.SBendtrans-65.6-37.6-172.8-57.50000113.4
631Q90.1Very high95Very high89 Ų8937 Ų3742%0.41622%0.22SC..SBendtrans-91.5131.2172.6-54.6-167.9109.200109.1T629 C633 D634 E810T629-Q631 PolarHBondContact O-N 3.16Å; T629-Q631 PolarHBondContact OG1-O 3.42Å; Q631-C633 PolarHBondContact O-N 2.79Å; Q631-D634 HydrophobicContact CB-CB 4.4Å; Q631-D634 WeakPolarHBondContact CB-OD2 3.46Å; Q631-D634 PolarHBondContact NE2-OD2 3.35Å; Q631-D634 PolarHBondContact O-N 2.87Å; Q631-E810 WeakPolarHBondContact CA-OE1 3.48Å
632V93.5Very high95.1Very high13 Ų1334.3 Ų34.38%0.07920%0.203CC..G310 helixtrans-52.5-44170-175.80000110.2D634 R635 L803 E806 C807 E810V632-D634 PolarHBondContact O-N 3.48Å; V632-D634 VanDerWaalsContact O-N 3.14Å; V632-R635 WeakPolarHBondContact O-CB 3.4Å; V632-R635 WeakPolarHBondContact O-CG 3.12Å; V632-R635 PolarHBondContact O-N 3.28Å; V632-R635 VanDerWaalsContact O-N 3.13Å; V632-L803 HydrophobicContact CG1-CD1 3.72Å; V632-L803 HydrophobicContact CG1-CG 4.06Å; V632-E806 HydrophobicContact CG1-CB 3.5Å; V632-E806 VanDerWaalsContact CG1-CB 3.5Å; V632-E806 HydrophobicContact CG2-CB 4.33Å; V632-C807 VanDerWaalsContact CG1-SG 3.54Å; V632-E810 WeakPolarHBondContact CA-OE2 3.44Å; V632-E810 HydrophobicContact CB-CB 4.44Å; V632-E810 WeakPolarHBondContact CB-OE2 3.29Å; V632-E810 HydrophobicContact CG2-CB 4.12Å; V632-E810 HydrophobicContact CG2-CG 4.48Å; V632-E810 WeakPolarHBondContact CG2-OE1 3.12Å; V632-E810 PolarHBondContact N-OE1 3.15Å; V632-E810 PolarHBondContact N-OE2 2.88Å
633C91.7Very high95.2Very high59 Ų5934.2 Ų34.240%0.39920%0.202SC..G310 helixtrans-61.7-23.1-174-58.60000114Q631 E810Q631-C633 PolarHBondContact O-N 2.79Å; C633-E810 PolarHBondContact N-OE2 2.87Å; C633-E810 VanDerWaalsContact N-OE2 3.11Å; C633-E810 PolarHBondContact SG-OE2 2.97Å
634D93.6Very high95.2Very high86 Ų8634.3 Ų34.346%0.4620%0.203SC..G310 helixtrans-96.90.8-177.6-56.4-20.5000112.8Q631 V632 K636Q631-D634 HydrophobicContact CB-CB 4.4Å; Q631-D634 WeakPolarHBondContact CB-OD2 3.46Å; Q631-D634 PolarHBondContact NE2-OD2 3.35Å; Q631-D634 PolarHBondContact O-N 2.87Å; V632-D634 PolarHBondContact O-N 3.48Å; V632-D634 VanDerWaalsContact O-N 3.14Å; D634-K636 PolarHBondContact O-N 2.86Å
635R95.9Very high95.2Very high30 Ų3033.2 Ų33.211%0.11319%0.192CC..  trans-72.4114.9-175.1-69.2180-169.3155.510.7112.3T629 V632 Y799 E806T629-R635 WeakPolarHBondContact OG1-CA 3.49Å; T629-R635 VanDerWaalsContact OG1-CG 3.25Å; T629-R635 WeakPolarHBondContact OG1-CG 3.49Å; T629-R635 PolarHBondContact OG1-N 3.3Å; V632-R635 WeakPolarHBondContact O-CB 3.4Å; V632-R635 WeakPolarHBondContact O-CG 3.12Å; V632-R635 PolarHBondContact O-N 3.28Å; V632-R635 VanDerWaalsContact O-N 3.13Å; R635-Y799 VanDerWaalsContact CB-OH 3.28Å; R635-Y799 WeakPolarHBondContact CB-OH 3.41Å; R635-Y799 WeakPolarHBondContact O-CE1 3.24Å; R635-Y799 PolarHBondContact O-OH 3.34Å; R635-E806 IonicContact CZ-OE2 3.84Å; R635-E806 IonicContact NH1-OE2 3.35Å; R635-E806 PolarHBondContact NH1-OE2 3.31Å; R635-E806 IonicContact NH2-OE2 2.69Å
636K96.3Very high95.2Very high60 Ų6031.4 Ų31.426%0.26119%0.19SC..PPolyproline II helixtrans-102.4147.8175.5-60.3-172.2-176.4-173.80111.7S626 V627 D634 L638 H670 D671 F672S626-K636 CarbonylContact C-O 3.5Å; S626-K636 VanDerWaalsContact CB-O 3.32Å; S626-K636 WeakPolarHBondContact CB-O 3.39Å; S626-K636 PolarHBondContact O-N 3.41Å; S626-K636 VanDerWaalsContact O-O 3.06Å; V627-K636 WeakPolarHBondContact CG1-O 3.34Å; V627-K636 PolarHBondContact N-O 2.62Å; D634-K636 PolarHBondContact O-N 2.86Å; K636-L638 PolarHBondContact O-N 2.89Å; K636-H670 WeakPolarHBondContact CE-O 3.37Å; K636-H670 PolarHBondContact NZ-O 2.83Å; K636-D671 WeakPolarHBondContact CD-O 3.5Å; K636-D671 VanDerWaalsContact NZ-CB 3.28Å; K636-D671 VanDerWaalsContact NZ-CG 3.33Å; K636-D671 PolarHBondContact NZ-O 3.42Å; K636-D671 IonicContact NZ-OD2 2.74Å; K636-D671 PolarHBondContact NZ-OD2 3.37Å; K636-F672 HydrophobicContact CB-CD1 4.19Å; K636-F672 HydrophobicContact CB-CE1 4.44Å; K636-F672 HydrophobicContact CD-CD1 4.4Å
637P97.7Very high95.2Very high0 Ų031.5 Ų31.50%019%0.19CC..PPolyproline II helixtrans-58.7137.8172.2-2031.1000112.1F639 F672 M716 I717 V718 Y796 Y799P637-F639 HydrophobicContact CB-CE2 4.33Å; P637-F672 HydrophobicContact CG-CE1 4.35Å; P637-M716 HydrophobicContact CB-CG 3.56Å; P637-M716 HydrophobicContact CB-SD 4.11Å; P637-M716 HydrophobicContact CG-CG 4.3Å; P637-M716 HydrophobicContact CG-SD 4.2Å; P637-I717 CarbonylContact C-O 3.49Å; P637-I717 VanDerWaalsContact CA-O 3.23Å; P637-I717 WeakPolarHBondContact CA-O 3.41Å; P637-V718 HydrophobicContact CB-CG1 4.05Å; P637-V718 HydrophobicContact CG-CG1 4.12Å; P637-Y796 HydrophobicContact CG-CD2 3.78Å; P637-Y796 HydrophobicContact CG-CE2 4.09Å; P637-Y799 HydrophobicContact CG-CD1 3.94Å; P637-Y799 HydrophobicContact CG-CE1 4.05Å
638L98.2Very high95Very high0 Ų038.7 Ų38.70%023%0.227CC..EExtended strand (participates in β ladder)trans-87.7123.2166173.464.1000108.2F619 A622 L623 V627 K636 I640 W675 I717F619-L638 HydrophobicContact CE2-CD2 4.17Å; A622-L638 HydrophobicContact CB-CD1 3.87Å; A622-L638 HydrophobicContact CB-CD2 4.15Å; L623-L638 HydrophobicContact CD2-CD2 3.72Å; L623-L638 HydrophobicContact CG-CD2 4.03Å; V627-L638 HydrophobicContact CG1-CB 4.25Å; K636-L638 PolarHBondContact O-N 2.89Å; L638-I640 HydrophobicContact CD2-CG1 4.35Å; L638-I640 HydrophobicContact CG-CG1 4.29Å; L638-W675 HydrophobicContact CD1-CB 4.07Å; L638-I717 HydrophobicContact CB-CB 4.33Å; L638-I717 PolarHBondContact N-O 2.67Å; L638-I717 WeakPolarHBondContact O-CB 3.28Å; L638-I717 PolarHBondContact O-N 2.78Å
639F98.5Very high95.1Very high0 Ų038.2 Ų38.20%022%0.22CC..EExtended strand (participates in β ladder)trans-87.8138.1168.5-76.4-100000110.2P637 F666 L667 F672 S673 L674 W675 L714 A715 M716 L792P637-F639 HydrophobicContact CB-CE2 4.33Å; F639-F666 HydrophobicContact CE1-CE1 4.39Å; F639-F666 HydrophobicContact CE2-CE1 4.44Å; F639-F666 AromaticContact CZ-CE1 3.72Å; F639-F666 HydrophobicContact CZ-CE1 3.72Å; F639-F666 HydrophobicContact CZ-CZ 4.21Å; F639-L667 HydrophobicContact CD1-CD2 4.34Å; F639-L667 HydrophobicContact CD2-CD2 3.84Å; F639-L667 HydrophobicContact CE1-CD2 4.46Å; F639-L667 HydrophobicContact CE2-CD2 3.99Å; F639-L667 HydrophobicContact CG-CD2 4.01Å; F639-L667 HydrophobicContact CZ-CD2 4.29Å; F639-F672 HydrophobicContact CD2-CB 3.92Å; F639-F672 HydrophobicContact CD2-CD2 4.29Å; F639-F672 HydrophobicContact CD2-CG 4.28Å; F639-F672 HydrophobicContact CE2-CB 4.01Å; F639-F672 AromaticContact CE2-CD2 3.53Å; F639-F672 HydrophobicContact CE2-CD2 3.53Å; F639-F672 HydrophobicContact CE2-CE2 4.1Å; F639-F672 AromaticContact CE2-CG 3.88Å; F639-F672 HydrophobicContact CE2-CG 3.88Å; F639-F672 HydrophobicContact CZ-CD2 4.28Å; F639-S673 PolarHBondContact N-O 3.44Å; F639-L674 HydrophobicContact CB-CD1 3.65Å; F639-W675 PolarHBondContact O-N 2.93Å; F639-L714 HydrophobicContact CB-CD1 4.3Å; F639-L714 HydrophobicContact CD1-CD1 3.94Å; F639-L714 HydrophobicContact CD1-CD2 4.45Å; F639-L714 HydrophobicContact CD1-CG 4.11Å; F639-A715 CarbonylContact C-O 3.44Å; F639-A715 WeakPolarHBondContact CA-O 3.27Å; F639-M716 HydrophobicContact CE1-CB 4.19Å; F639-M716 HydrophobicContact CE1-CE 4.12Å; F639-M716 HydrophobicContact CE1-CG 4.46Å; F639-M716 HydrophobicContact CE2-CE 4.25Å; F639-M716 HydrophobicContact CE2-CG 4.39Å; F639-M716 HydrophobicContact CZ-CB 4.41Å; F639-M716 HydrophobicContact CZ-CE 3.5Å; F639-M716 HydrophobicContact CZ-CG 4.18Å; F639-L792 HydrophobicContact CE1-CD1 4.13Å; F639-L792 HydrophobicContact CE1-CD2 3.98Å
640I98.3Very high95.2Very high0 Ų036.6 Ų36.60%021%0.21CC..EExtended strand (participates in β ladder)trans-119.3123175.4-63.7-179.4000108.3F619 L638 L642 W675 F692 L696 L699 L714 A715 I717F619-I640 HydrophobicContact CE2-CD1 3.78Å; F619-I640 HydrophobicContact CZ-CD1 4.47Å; L638-I640 HydrophobicContact CD2-CG1 4.35Å; L638-I640 HydrophobicContact CG-CG1 4.29Å; I640-L642 HydrophobicContact CG2-CD2 3.63Å; I640-L642 HydrophobicContact CG2-CG 3.99Å; I640-W675 WeakPolarHBondContact CA-O 3.47Å; I640-W675 HydrophobicContact CG2-CE3 4.26Å; I640-F692 HydrophobicContact CD1-CE1 4.14Å; I640-F692 HydrophobicContact CD1-CZ 3.87Å; I640-F692 HydrophobicContact CG2-CZ 4.11Å; I640-L696 HydrophobicContact CD1-CD1 3.93Å; I640-L699 HydrophobicContact CD1-CD2 4.23Å; I640-L714 CarbonylContact O-C 3.6Å; I640-L714 WeakPolarHBondContact O-CA 3.29Å; I640-A715 PolarHBondContact N-O 3.31Å; I640-A715 PolarHBondContact O-N 2.62Å; I640-I717 HydrophobicContact CD1-CD1 4.24Å; I640-I717 HydrophobicContact CD1-CG1 3.6Å; I640-I717 HydrophobicContact CG1-CG1 4.01Å
641Y98.5Very high95.5Very high0 Ų033.6 Ų33.60%018%0.182CC..EExtended strand (participates in β ladder)trans-108.4121.9174.2-179.8-97.4000111.2F595 H643 F653 C654 L658 W675 P676 W677 P712 I713 L714F595-Y641 AromaticContact CZ-CD1 3.78Å; F595-Y641 HydrophobicContact CZ-CD1 3.78Å; F595-Y641 AromaticContact CZ-CE1 3.84Å; F595-Y641 HydrophobicContact CZ-CE1 3.84Å; Y641-H643 HydrophobicContact CE1-CB 3.87Å; Y641-H643 AromaticContact CE1-ND1 3.53Å; Y641-H643 AromaticContact CZ-ND1 3.63Å; Y641-H643 PolarHBondContact OH-ND1 3.44Å; Y641-F653 HydrophobicContact CE2-CD1 4.03Å; Y641-F653 AromaticContact CE2-CE1 3.94Å; Y641-F653 HydrophobicContact CE2-CE1 3.94Å; Y641-C654 PolarHBondContact OH-SG 3.18Å; Y641-L658 HydrophobicContact CD1-CD2 4.19Å; Y641-L658 HydrophobicContact CD2-CD1 3.89Å; Y641-L658 HydrophobicContact CD2-CD2 3.83Å; Y641-L658 HydrophobicContact CE1-CD2 4.04Å; Y641-L658 HydrophobicContact CE2-CD1 4.18Å; Y641-L658 HydrophobicContact CE2-CD2 3.66Å; Y641-L658 HydrophobicContact CE2-CG 4.47Å; Y641-L658 HydrophobicContact CG-CD2 4.09Å; Y641-W675 PolarHBondContact N-O 3Å; Y641-P676 CarbonylContact O-C 3.53Å; Y641-P676 WeakPolarHBondContact O-CA 3.47Å; Y641-W677 PolarHBondContact O-N 3.38Å; Y641-P712 HydrophobicContact CE2-CB 3.55Å; Y641-P712 HydrophobicContact CE2-CG 3.96Å; Y641-P712 VanDerWaalsContact OH-CB 3.28Å; Y641-P712 WeakPolarHBondContact OH-CB 3.26Å; Y641-I713 CarbonylContact C-O 3.53Å; Y641-I713 WeakPolarHBondContact CA-O 3.38Å; Y641-L714 HydrophobicContact CD2-CD1 4.47Å
642L98.3Very high95.7Very high0 Ų031.9 Ų31.90%018%0.177CC..EExtended strand (participates in β ladder)trans-113.7114.7179.2-50.8179.3000110.8I640 W677 L688 F692 I703 Y711 P712 I713I640-L642 HydrophobicContact CG2-CD2 3.63Å; I640-L642 HydrophobicContact CG2-CG 3.99Å; L642-W677 CarbonylContact C-O 3.31Å; L642-W677 WeakPolarHBondContact CA-O 3.04Å; L642-W677 HydrophobicContact CD2-CB 3.87Å; L642-L688 HydrophobicContact CD1-CD2 4.13Å; L642-L688 HydrophobicContact CD2-CD2 3.62Å; L642-F692 HydrophobicContact CD1-CE2 4.41Å; L642-I703 HydrophobicContact CD1-CD1 3.35Å; L642-I703 HydrophobicContact CD1-CG1 4.03Å; L642-Y711 HydrophobicContact CB-CD1 4.45Å; L642-Y711 HydrophobicContact CB-CE1 4.4Å; L642-P712 WeakPolarHBondContact O-CA 3.37Å; L642-P712 VanDerWaalsContact O-CB 3.23Å; L642-P712 WeakPolarHBondContact O-CB 3.18Å; L642-I713 HydrophobicContact CB-CB 4.18Å; L642-I713 HydrophobicContact CD1-CB 4.31Å; L642-I713 HydrophobicContact CD1-CG2 4.44Å; L642-I713 HydrophobicContact CG-CB 4.43Å; L642-I713 PolarHBondContact N-O 3.15Å; L642-I713 PolarHBondContact O-N 2.91Å
643H97.8Very high95.9Very high0 Ų031.2 Ų31.20%017%0.174CC..EExtended strand (participates in β ladder)trans-90.6153.3177.2-150.369.9000112L578 F595 Y603 Y641 D645 W677 I679L578-H643 HydrophobicContact CD1-CB 4.15Å; L578-H643 WeakPolarHBondContact CD1-CD2 3.34Å; F595-H643 HydrophobicContact CE2-CB 3.86Å; F595-H643 HydrophobicContact CZ-CB 4.3Å; Y603-H643 PolarHBondContact OH-CE1 3.21Å; Y603-H643 PolarHBondContact OH-NE2 3.16Å; Y641-H643 HydrophobicContact CE1-CB 3.87Å; Y641-H643 AromaticContact CE1-ND1 3.53Å; Y641-H643 AromaticContact CZ-ND1 3.63Å; Y641-H643 PolarHBondContact OH-ND1 3.44Å; H643-D645 IonicContact CD2-OD1 2.76Å; H643-D645 PolarHBondContact CD2-OD1 2.72Å; H643-D645 IonicContact NE2-OD1 2.79Å; H643-D645 PolarHBondContact NE2-OD1 2.9Å; H643-W677 PolarHBondContact N-O 3.42Å; H643-I679 WeakPolarHBondContact O-CG1 3.41Å; H643-I679 PolarHBondContact O-N 2.89Å
644N96.3Very high96.1Very high9 Ų928.4 Ų28.45%0.04816%0.155CC..  trans-154.4106.8170.2-176.9-6.1000109.4S646 S647 C650 I679 T680 Y711N644-S646 PolarHBondContact O-N 3.39Å; N644-S646 WeakPolarHBondContact OD1-CB 3.26Å; N644-S646 PolarHBondContact OD1-N 3.21Å; N644-S646 VanDerWaalsContact OD1-N 3.1Å; N644-S647 WeakPolarHBondContact O-CB 3.35Å; N644-S647 PolarHBondContact O-N 2.84Å; N644-C650 PolarHBondContact N-SG 3.47Å; N644-C650 PolarHBondContact O-SG 3.36Å; N644-I679 HydrophobicContact CB-CD1 4.45Å; N644-I679 HydrophobicContact CB-CG1 4.08Å; N644-T680 WeakPolarHBondContact CA-OG1 3.49Å; N644-Y711 HydrophobicContact CB-CD1 4.37Å; N644-Y711 HydrophobicContact CB-CG 3.99Å
645D95Very high96.2Very high38 Ų3830 Ų3020%0.20316%0.159CC..THydrogen-bonded Turntrans-61.7-17.5-178.1-78.8-18.6000113.6P577 R602 H643 S647 T680P577-D645 WeakPolarHBondContact CA-OD2 3.36Å; R602-D645 IonicContact CZ-OD1 2.69Å; R602-D645 IonicContact CZ-OD2 3.15Å; R602-D645 IonicContact NH1-OD1 3.68Å; R602-D645 PolarHBondContact NH1-OD1 2.97Å; R602-D645 IonicContact NH1-OD2 2.76Å; R602-D645 IonicContact NH2-OD1 2.62Å; R602-D645 PolarHBondContact NH2-OD1 3.32Å; R602-D645 IonicContact NH2-OD2 3.78Å; R602-D645 PolarHBondContact NH2-OD2 3.44Å; H643-D645 IonicContact CD2-OD1 2.76Å; H643-D645 PolarHBondContact CD2-OD1 2.72Å; H643-D645 IonicContact NE2-OD1 2.79Å; H643-D645 PolarHBondContact NE2-OD1 2.9Å; D645-S647 PolarHBondContact O-N 2.88Å; D645-T680 HydrophobicContact CB-CG2 3.99Å; D645-T680 PolarHBondContact N-OG1 3.45Å
646S94.4Very high96.1Very high82 Ų8233.2 Ų33.257%0.57318%0.176SC*.THydrogen-bonded Turntrans-73.2-9.8172.9-56.50000113.1N644 V708N644-S646 PolarHBondContact O-N 3.39Å; N644-S646 WeakPolarHBondContact OD1-CB 3.26Å; N644-S646 PolarHBondContact OD1-N 3.21Å; N644-S646 VanDerWaalsContact OD1-N 3.1Å; S646-V708 WeakPolarHBondContact O-CG1 3.07Å
647S95.8Very high96.1Very high4 Ų430.4 Ų30.43%0.02816%0.163CC..  trans-97.1118.6175.9-174.30000111.9N644 D645 A649 C650 V708 Y711N644-S647 WeakPolarHBondContact O-CB 3.35Å; N644-S647 PolarHBondContact O-N 2.84Å; D645-S647 PolarHBondContact O-N 2.88Å; S647-A649 PolarHBondContact O-N 2.87Å; S647-A649 VanDerWaalsContact O-N 3.12Å; S647-A649 PolarHBondContact OG-N 2.9Å; S647-C650 VanDerWaalsContact O-CB 3.32Å; S647-C650 WeakPolarHBondContact O-CB 3.45Å; S647-C650 PolarHBondContact O-N 3.33Å; S647-V708 VanDerWaalsContact CB-O 3.3Å; S647-V708 WeakPolarHBondContact CB-O 3.33Å; S647-V708 PolarHBondContact OG-O 2.93Å; S647-Y711 WeakPolarHBondContact CB-O 3.41Å; S647-Y711 PolarHBondContact OG-O 2.94Å
648I91.9Very high96.1Very high153 Ų15330.4 Ų30.479%0.78516%0.163SC*.THydrogen-bonded Turntrans-55.5-31.4174-58.2170.5000111.3C650I648-C650 VanDerWaalsContact C-N 3.27Å; I648-C650 PolarHBondContact O-N 3.02Å
649A94.5Very high96Very high21 Ų2131 Ų3117%0.17417%0.167CC..Hα-helixtrans-71.6-15.6179.700000114S647 F653S647-A649 PolarHBondContact O-N 2.87Å; S647-A649 VanDerWaalsContact O-N 3.12Å; S647-A649 PolarHBondContact OG-N 2.9Å; A649-F653 WeakPolarHBondContact O-CB 3.35Å; A649-F653 PolarHBondContact O-N 2.79Å
650C95Very high95.8Very high0 Ų031.6 Ų31.60%017%0.172CC..Hα-helixtrans-60.3-50.1178.3-81.70000112.9N644 S647 I648 V652 F653 C654 P712N644-C650 PolarHBondContact N-SG 3.47Å; N644-C650 PolarHBondContact O-SG 3.36Å; S647-C650 VanDerWaalsContact O-CB 3.32Å; S647-C650 WeakPolarHBondContact O-CB 3.45Å; S647-C650 PolarHBondContact O-N 3.33Å; I648-C650 VanDerWaalsContact C-N 3.27Å; I648-C650 PolarHBondContact O-N 3.02Å; C650-V652 PolarHBondContact O-N 3.12Å; C650-F653 PolarHBondContact O-N 2.68Å; C650-C654 WeakPolarHBondContact O-CB 3.28Å; C650-C654 PolarHBondContact O-N 2.94Å; C650-C654 PolarHBondContact O-SG 3.14Å; C650-P712 VanDerWaalsContact SG-CD 3.58Å
651H93.5Very high95.6Very high62 Ų6236.6 Ų36.629%0.28721%0.207SC..Hα-helixtrans-65.2-42.9-178.3-51.5-46.2000111.9W574 Y603 C654 Q655W574-H651 AromaticContact CZ3-ND1 3.89Å; Y603-H651 HydrophobicContact CE1-CB 4.47Å; Y603-H651 AromaticContact CZ-ND1 3.94Å; Y603-H651 PolarHBondContact OH-ND1 3.44Å; H651-C654 PolarHBondContact O-N 2.96Å; H651-Q655 WeakPolarHBondContact O-CG 3.45Å; H651-Q655 PolarHBondContact O-N 3.15Å; H651-Q655 VanDerWaalsContact O-N 3.09Å
652V95.2Very high95.4Very high52 Ų5237.9 Ų37.932%0.31522%0.219SC..Hα-helixtrans-64.4-45.8178.6-173.70000111.1C650 Q655 Q656 L783C650-V652 PolarHBondContact O-N 3.12Å; V652-Q655 PolarHBondContact O-N 3.48Å; V652-Q656 HydrophobicContact CG1-CG 4.19Å; V652-Q656 WeakPolarHBondContact O-CB 3.31Å; V652-Q656 WeakPolarHBondContact O-CG 3.08Å; V652-Q656 PolarHBondContact O-N 2.78Å; V652-L783 HydrophobicContact CG1-CD1 4.01Å
653F97.6Very high95.3Very high0 Ų037.9 Ų37.90%022%0.219CC..Hα-helixtrans-65.1-39.6177.9-172-79.1000111.8Y641 A649 C650 I657 L658 P712 L714 V730 L783Y641-F653 HydrophobicContact CE2-CD1 4.03Å; Y641-F653 AromaticContact CE2-CE1 3.94Å; Y641-F653 HydrophobicContact CE2-CE1 3.94Å; A649-F653 WeakPolarHBondContact O-CB 3.35Å; A649-F653 PolarHBondContact O-N 2.79Å; C650-F653 PolarHBondContact O-N 2.68Å; F653-I657 HydrophobicContact CD1-CB 4.19Å; F653-I657 HydrophobicContact CD1-CG2 4.48Å; F653-I657 HydrophobicContact CD2-CB 4.18Å; F653-I657 HydrophobicContact CD2-CG1 4.1Å; F653-I657 HydrophobicContact CD2-CG2 4.48Å; F653-I657 HydrophobicContact CE1-CB 4.13Å; F653-I657 HydrophobicContact CE1-CG2 3.92Å; F653-I657 HydrophobicContact CE2-CB 4.13Å; F653-I657 HydrophobicContact CE2-CG1 4.21Å; F653-I657 HydrophobicContact CE2-CG2 3.92Å; F653-I657 HydrophobicContact CG-CB 4.22Å; F653-I657 HydrophobicContact CG-CG1 4.46Å; F653-I657 HydrophobicContact CZ-CB 4.1Å; F653-I657 HydrophobicContact CZ-CG2 3.61Å; F653-I657 WeakPolarHBondContact O-CA 3.38Å; F653-I657 WeakPolarHBondContact O-CB 3.45Å; F653-I657 PolarHBondContact O-N 2.91Å; F653-L658 HydrophobicContact CD1-CB 4.3Å; F653-L658 HydrophobicContact CE1-CB 4.31Å; F653-L658 HydrophobicContact CE1-CD1 4.3Å; F653-L658 PolarHBondContact O-N 3.38Å; F653-P712 HydrophobicContact CB-CG 3.6Å; F653-P712 HydrophobicContact CD1-CG 3.58Å; F653-P712 HydrophobicContact CD2-CG 4.19Å; F653-P712 HydrophobicContact CE1-CG 4.29Å; F653-P712 HydrophobicContact CG-CG 3.52Å; F653-L714 HydrophobicContact CZ-CB 4.21Å; F653-V730 HydrophobicContact CE2-CG1 3.9Å; F653-V730 HydrophobicContact CZ-CG1 4.26Å; F653-L783 HydrophobicContact CD2-CD2 3.83Å
654C96.6Very high95.2Very high0 Ų038.7 Ų38.70%022%0.224CC..Iπ-helixtrans-57.8-50.8174.3-73.20000111.5F599 Y603 Y641 C650 H651 L658 C659F599-C654 HydrophobicContact CE2-CB 4.33Å; F599-C654 VanDerWaalsContact CE2-SG 3.57Å; F599-C654 HydrophobicContact CZ-CB 4.3Å; Y603-C654 HydrophobicContact CD1-CB 3.73Å; Y603-C654 HydrophobicContact CD2-CB 4.09Å; Y603-C654 HydrophobicContact CE1-CB 3.59Å; Y603-C654 HydrophobicContact CE2-CB 3.97Å; Y603-C654 HydrophobicContact CG-CB 3.99Å; Y641-C654 PolarHBondContact OH-SG 3.18Å; C650-C654 WeakPolarHBondContact O-CB 3.28Å; C650-C654 PolarHBondContact O-N 2.94Å; C650-C654 PolarHBondContact O-SG 3.14Å; H651-C654 PolarHBondContact O-N 2.96Å; C654-L658 PolarHBondContact O-N 2.96Å; C654-C659 WeakPolarHBondContact O-CB 3.37Å; C654-C659 PolarHBondContact O-N 2.87Å; C654-C659 PolarHBondContact O-SG 2.82Å; C654-C659 VanDerWaalsContact O-SG 3.36Å
655Q94.1Very high95.1Very high120 Ų12046 Ų4656%0.56125%0.251SS*.Iπ-helixtrans-71.1-45-176.7-69.3172.2-2400113.2Y603 H651 V652Y603-Q655 HydrophobicContact CD1-CG 4.32Å; H651-Q655 WeakPolarHBondContact O-CG 3.45Å; H651-Q655 PolarHBondContact O-N 3.15Å; H651-Q655 VanDerWaalsContact O-N 3.09Å; V652-Q655 PolarHBondContact O-N 3.48Å
656Q94.5Very high95.2Very high97 Ų9744.8 Ų44.845%0.45324%0.244SC..Iπ-helixtrans-89.3-26.9-171.6-63.5-176.1-7.800114.2V652V652-Q656 HydrophobicContact CG1-CG 4.19Å; V652-Q656 WeakPolarHBondContact O-CB 3.31Å; V652-Q656 WeakPolarHBondContact O-CG 3.08Å; V652-Q656 PolarHBondContact O-N 2.78Å
657I97Very high95.3Very high0 Ų041 Ų410%022%0.217CC..Iπ-helixtrans-117.5-58.6-174.5-56.8-60.7000111.2F653 S660 L663 L783 P785 I788F653-I657 HydrophobicContact CD1-CB 4.19Å; F653-I657 HydrophobicContact CD1-CG2 4.48Å; F653-I657 HydrophobicContact CD2-CB 4.18Å; F653-I657 HydrophobicContact CD2-CG1 4.1Å; F653-I657 HydrophobicContact CD2-CG2 4.48Å; F653-I657 HydrophobicContact CE1-CB 4.13Å; F653-I657 HydrophobicContact CE1-CG2 3.92Å; F653-I657 HydrophobicContact CE2-CB 4.13Å; F653-I657 HydrophobicContact CE2-CG1 4.21Å; F653-I657 HydrophobicContact CE2-CG2 3.92Å; F653-I657 HydrophobicContact CG-CB 4.22Å; F653-I657 HydrophobicContact CG-CG1 4.46Å; F653-I657 HydrophobicContact CZ-CB 4.1Å; F653-I657 HydrophobicContact CZ-CG2 3.61Å; F653-I657 WeakPolarHBondContact O-CA 3.38Å; F653-I657 WeakPolarHBondContact O-CB 3.45Å; F653-I657 PolarHBondContact O-N 2.91Å; I657-S660 VanDerWaalsContact O-CB 3.25Å; I657-S660 WeakPolarHBondContact O-CB 3.28Å; I657-S660 PolarHBondContact O-N 2.96Å; I657-S660 VanDerWaalsContact O-N 3.16Å; I657-S660 PolarHBondContact O-OG 2.92Å; I657-L663 HydrophobicContact CG2-CD2 4.14Å; I657-L663 WeakPolarHBondContact O-CB 3.48Å; I657-L663 WeakPolarHBondContact O-CD2 3.41Å; I657-L783 HydrophobicContact CG1-CD2 4.02Å; I657-P785 HydrophobicContact CD1-CB 4.23Å; I657-I788 HydrophobicContact CD1-CB 4.44Å; I657-I788 HydrophobicContact CD1-CG1 3.81Å; I657-I788 HydrophobicContact CG2-CB 4.41Å; I657-I788 HydrophobicContact CG2-CG1 4.43Å; I657-I788 HydrophobicContact CG2-CG2 4.08Å
658L97.1Very high95.1Very high0 Ų044.6 Ų44.60%024%0.239CC..Iπ-helixtrans-69.6-44.7-167.5-158.570.1000112.5F599 P612 F614 Y641 F653 C654 S660 L663 L674F599-L658 HydrophobicContact CE2-CD2 3.71Å; F599-L658 HydrophobicContact CZ-CD2 3.78Å; P612-L658 HydrophobicContact CB-CG 4.33Å; P612-L658 HydrophobicContact CG-CD2 4.11Å; P612-L658 HydrophobicContact CG-CG 3.78Å; F614-L658 HydrophobicContact CE1-CD2 4.3Å; F614-L658 HydrophobicContact CZ-CD2 3.91Å; Y641-L658 HydrophobicContact CD1-CD2 4.19Å; Y641-L658 HydrophobicContact CD2-CD1 3.89Å; Y641-L658 HydrophobicContact CD2-CD2 3.83Å; Y641-L658 HydrophobicContact CE1-CD2 4.04Å; Y641-L658 HydrophobicContact CE2-CD1 4.18Å; Y641-L658 HydrophobicContact CE2-CD2 3.66Å; Y641-L658 HydrophobicContact CE2-CG 4.47Å; Y641-L658 HydrophobicContact CG-CD2 4.09Å; F653-L658 HydrophobicContact CD1-CB 4.3Å; F653-L658 HydrophobicContact CE1-CB 4.31Å; F653-L658 HydrophobicContact CE1-CD1 4.3Å; F653-L658 PolarHBondContact O-N 3.38Å; C654-L658 PolarHBondContact O-N 2.96Å; L658-S660 PolarHBondContact O-N 3.35Å; L658-L663 HydrophobicContact CD1-CD2 4.01Å; L658-L674 HydrophobicContact CD1-CD2 4.26Å
659C95.6Very high95.2Very high13 Ų1341.7 Ų41.79%0.08823%0.225CC..THydrogen-bonded Turntrans-83.46.6174.5-57.30000113.5T609 C654T609-C659 HydrophobicContact CG2-CB 3.63Å; C654-C659 WeakPolarHBondContact O-CB 3.37Å; C654-C659 PolarHBondContact O-N 2.87Å; C654-C659 PolarHBondContact O-SG 2.82Å; C654-C659 VanDerWaalsContact O-SG 3.36Å
660S95.3Very high95.2Very high13 Ų1343.2 Ų43.29%0.09123%0.228CC..  trans-69.9139.8-178.173.90000111.4I657 L658 G662 L663 I664 P785I657-S660 VanDerWaalsContact O-CB 3.25Å; I657-S660 WeakPolarHBondContact O-CB 3.28Å; I657-S660 PolarHBondContact O-N 2.96Å; I657-S660 VanDerWaalsContact O-N 3.16Å; I657-S660 PolarHBondContact O-OG 2.92Å; L658-S660 PolarHBondContact O-N 3.35Å; S660-G662 PolarHBondContact O-N 3.04Å; S660-L663 PolarHBondContact O-N 2.97Å; S660-L663 WeakPolarHBondContact OG-CB 3.35Å; S660-L663 PolarHBondContact OG-N 2.86Å; S660-I664 WeakPolarHBondContact O-CB 3.32Å; S660-I664 WeakPolarHBondContact O-CG1 3.32Å; S660-I664 PolarHBondContact O-N 3.22Å; S660-P785 WeakPolarHBondContact OG-CB 3.33Å
661S92.8Very high95.1Very high105 Ų10548.3 Ų48.373%0.73426%0.255SS*.Hα-helixtrans-57.9-34.1177.3550000112.5R665S661-R665 WeakPolarHBondContact O-CB 3.21Å; S661-R665 PolarHBondContact O-N 3.38Å
662G94.8Very high95.2Very high26 Ų2645.6 Ų45.627%0.26824%0.243SC..Hα-helixtrans-63.9-48.9174.800000113.3S660 F666S660-G662 PolarHBondContact O-N 3.04Å; G662-F666 WeakPolarHBondContact O-CB 3.35Å; G662-F666 PolarHBondContact O-N 2.97Å
663L96.5Very high95.1Very high0 Ų044.6 Ų44.60%024%0.238CC..Hα-helixtrans-72.3-44.2-179.8-172.273.8000112I657 L658 S660 R665 F666 L667 L714 V789 L792I657-L663 HydrophobicContact CG2-CD2 4.14Å; I657-L663 WeakPolarHBondContact O-CB 3.48Å; I657-L663 WeakPolarHBondContact O-CD2 3.41Å; L658-L663 HydrophobicContact CD1-CD2 4.01Å; S660-L663 PolarHBondContact O-N 2.97Å; S660-L663 WeakPolarHBondContact OG-CB 3.35Å; S660-L663 PolarHBondContact OG-N 2.86Å; L663-R665 VanDerWaalsContact C-N 3.26Å; L663-R665 PolarHBondContact O-N 2.83Å; L663-F666 HydrophobicContact CD1-CD1 4.07Å; L663-F666 PolarHBondContact O-N 2.85Å; L663-F666 VanDerWaalsContact O-N 3.15Å; L663-L667 HydrophobicContact CG-CD1 4.22Å; L663-L667 HydrophobicContact CG-CG 4.47Å; L663-L667 WeakPolarHBondContact O-CG 3.43Å; L663-L667 PolarHBondContact O-N 3.01Å; L663-L714 HydrophobicContact CD2-CD2 4.24Å; L663-V789 HydrophobicContact CB-CG2 4.1Å; L663-V789 HydrophobicContact CD1-CG2 3.99Å; L663-L792 HydrophobicContact CD1-CD1 3.52Å
664I95.1Very high95.1Very high18 Ų1844.6 Ų44.69%0.09224%0.238CC..Hα-helixtrans-57.5-45.3176.4-68.1176.3000109.5M610 S660 L667 T668M610-I664 HydrophobicContact CB-CD1 3.62Å; M610-I664 VanDerWaalsContact O-CD1 3.26Å; M610-I664 WeakPolarHBondContact O-CD1 3.23Å; S660-I664 WeakPolarHBondContact O-CB 3.32Å; S660-I664 WeakPolarHBondContact O-CG1 3.32Å; S660-I664 PolarHBondContact O-N 3.22Å; I664-L667 PolarHBondContact O-N 2.86Å; I664-T668 WeakPolarHBondContact O-CB 3.35Å; I664-T668 PolarHBondContact O-N 2.6Å; I664-T668 PolarHBondContact O-OG1 3.19Å; I664-T668 VanDerWaalsContact O-OG1 3.04Å
665R94.5Very high95.2Very high163 Ų16344.6 Ų44.662%0.61524%0.238SC*.Hα-helixtrans-62.4-43.7176-174.8177.3174.3179.2-3112.5S661 L663 L667 T668 D669S661-R665 WeakPolarHBondContact O-CB 3.21Å; S661-R665 PolarHBondContact O-N 3.38Å; L663-R665 VanDerWaalsContact C-N 3.26Å; L663-R665 PolarHBondContact O-N 2.83Å; R665-L667 VanDerWaalsContact C-N 3.32Å; R665-L667 PolarHBondContact O-N 3.07Å; R665-T668 PolarHBondContact O-N 2.92Å; R665-D669 WeakPolarHBondContact CG-OD1 3.39Å; R665-D669 IonicContact CZ-OD2 2.8Å; R665-D669 VanDerWaalsContact CZ-OD2 3.29Å; R665-D669 IonicContact NE-OD1 2.57Å; R665-D669 IonicContact NE-OD2 3.25Å; R665-D669 PolarHBondContact NE-OD2 2.91Å; R665-D669 IonicContact NH2-OD2 2.8Å; R665-D669 PolarHBondContact NH2-OD2 3.3Å; R665-D669 VanDerWaalsContact O-CB 3.27Å; R665-D669 WeakPolarHBondContact O-CB 3.38Å; R665-D669 PolarHBondContact O-N 3.45Å
666F96.7Very high95.4Very high12 Ų1238.9 Ų38.95%0.05321%0.211CC..Hα-helixtrans-61.1-38176.1164.6-102.6000112.9F639 G662 L663 H670 F672 V789 L792 W793F639-F666 HydrophobicContact CE1-CE1 4.39Å; F639-F666 HydrophobicContact CE2-CE1 4.44Å; F639-F666 AromaticContact CZ-CE1 3.72Å; F639-F666 HydrophobicContact CZ-CE1 3.72Å; F639-F666 HydrophobicContact CZ-CZ 4.21Å; G662-F666 WeakPolarHBondContact O-CB 3.35Å; G662-F666 PolarHBondContact O-N 2.97Å; L663-F666 HydrophobicContact CD1-CD1 4.07Å; L663-F666 PolarHBondContact O-N 2.85Å; L663-F666 VanDerWaalsContact O-N 3.15Å; F666-H670 AromaticContact CD2-CD2 3.67Å; F666-H670 AromaticContact CD2-NE2 3.91Å; F666-H670 AromaticContact CE2-CD2 3.85Å; F666-H670 PolarHBondContact O-CD2 2.65Å; F666-F672 HydrophobicContact CE1-CD2 4.23Å; F666-F672 HydrophobicContact CE1-CE2 4.06Å; F666-F672 AromaticContact CE2-CE2 3.93Å; F666-F672 HydrophobicContact CE2-CE2 3.93Å; F666-F672 HydrophobicContact CZ-CD2 4.3Å; F666-F672 AromaticContact CZ-CE2 3.66Å; F666-F672 HydrophobicContact CZ-CE2 3.66Å; F666-V789 HydrophobicContact CB-CG1 3.99Å; F666-V789 HydrophobicContact CD2-CG1 4.43Å; F666-V789 HydrophobicContact CG-CG1 4.21Å; F666-L792 HydrophobicContact CE1-CB 3.7Å; F666-L792 HydrophobicContact CE1-CD1 4.06Å; F666-L792 HydrophobicContact CZ-CB 3.76Å; F666-W793 HydrophobicContact CD2-CE3 4.48Å; F666-W793 HydrophobicContact CE2-CB 4.32Å; F666-W793 HydrophobicContact CE2-CE3 4.12Å
667L96.5Very high95.6Very high1 Ų134.3 Ų34.31%0.00519%0.19CC..Hα-helixtrans-69.8-39.1174.5-65.7170.9000112P613 F639 L663 I664 R665 D671 F672 L674P613-L667 HydrophobicContact CG-CB 3.73Å; P613-L667 HydrophobicContact CG-CD1 4.08Å; F639-L667 HydrophobicContact CD1-CD2 4.34Å; F639-L667 HydrophobicContact CD2-CD2 3.84Å; F639-L667 HydrophobicContact CE1-CD2 4.46Å; F639-L667 HydrophobicContact CE2-CD2 3.99Å; F639-L667 HydrophobicContact CG-CD2 4.01Å; F639-L667 HydrophobicContact CZ-CD2 4.29Å; L663-L667 HydrophobicContact CG-CD1 4.22Å; L663-L667 HydrophobicContact CG-CG 4.47Å; L663-L667 WeakPolarHBondContact O-CG 3.43Å; L663-L667 PolarHBondContact O-N 3.01Å; I664-L667 PolarHBondContact O-N 2.86Å; R665-L667 VanDerWaalsContact C-N 3.32Å; R665-L667 PolarHBondContact O-N 3.07Å; L667-D671 WeakPolarHBondContact O-CA 3.5Å; L667-D671 PolarHBondContact O-N 3.2Å; L667-D671 VanDerWaalsContact O-N 3.12Å; L667-F672 HydrophobicContact CD2-CB 4Å; L667-F672 HydrophobicContact CD2-CD2 4.22Å; L667-F672 PolarHBondContact O-N 2.89Å; L667-L674 HydrophobicContact CD1-CD2 4.02Å
668T92Very high95.5Very high81 Ų8134.4 Ų34.450%0.49719%0.19SC..Hα-helixtrans-81.6-44.4-176.6-57.30000113.7I664 R665 H670 D671I664-T668 WeakPolarHBondContact O-CB 3.35Å; I664-T668 PolarHBondContact O-N 2.6Å; I664-T668 PolarHBondContact O-OG1 3.19Å; I664-T668 VanDerWaalsContact O-OG1 3.04Å; R665-T668 PolarHBondContact O-N 2.92Å; T668-H670 PolarHBondContact O-N 2.97Å; T668-H670 VanDerWaalsContact O-N 3.07Å; T668-D671 PolarHBondContact O-N 2.86Å
669D94.5Very high95.5Very high91 Ų9134.6 Ų34.649%0.48719%0.191SC..THydrogen-bonded Turntrans-63.9-14.1179.9-7720.9000112.4R665R665-D669 WeakPolarHBondContact CG-OD1 3.39Å; R665-D669 IonicContact CZ-OD2 2.8Å; R665-D669 VanDerWaalsContact CZ-OD2 3.29Å; R665-D669 IonicContact NE-OD1 2.57Å; R665-D669 IonicContact NE-OD2 3.25Å; R665-D669 PolarHBondContact NE-OD2 2.91Å; R665-D669 IonicContact NH2-OD2 2.8Å; R665-D669 PolarHBondContact NH2-OD2 3.3Å; R665-D669 VanDerWaalsContact O-CB 3.27Å; R665-D669 WeakPolarHBondContact O-CB 3.38Å; R665-D669 PolarHBondContact O-N 3.45Å
670H94.3Very high95.4Very high54 Ų5435.8 Ų35.825%0.2520%0.198CC..THydrogen-bonded Turntrans-114.7-5.3174-56.4-32.9000113.4K636 F666 T668 F672 W793K636-H670 WeakPolarHBondContact CE-O 3.37Å; K636-H670 PolarHBondContact NZ-O 2.83Å; F666-H670 AromaticContact CD2-CD2 3.67Å; F666-H670 AromaticContact CD2-NE2 3.91Å; F666-H670 AromaticContact CE2-CD2 3.85Å; F666-H670 PolarHBondContact O-CD2 2.65Å; T668-H670 PolarHBondContact O-N 2.97Å; T668-H670 VanDerWaalsContact O-N 3.07Å; H670-F672 HydrophobicContact CB-CD1 3.98Å; H670-F672 HydrophobicContact CB-CD2 3.94Å; H670-F672 HydrophobicContact CB-CE1 3.6Å; H670-F672 HydrophobicContact CB-CE2 3.57Å; H670-F672 HydrophobicContact CB-CG 4.16Å; H670-F672 HydrophobicContact CB-CZ 3.39Å; H670-F672 AromaticContact CD2-CE2 3.76Å; H670-F672 AromaticContact CD2-CZ 3.99Å; H670-F672 AromaticContact CG-CZ 3.94Å; H670-W793 AromaticContact CE1-CZ3 3.81Å; H670-W793 AromaticContact NE2-CE3 3.76Å; H670-W793 AromaticContact NE2-CZ3 3.38Å; H670-W793 WeakPolarHBondContact NE2-CZ3 3.29Å
671D93Very high95.4Very high106 Ų10637 Ų3757%0.56720%0.204SC*.THydrogen-bonded Turntrans50.466.5-175.5161.956.9000111.3K636 L667 T668K636-D671 WeakPolarHBondContact CD-O 3.5Å; K636-D671 VanDerWaalsContact NZ-CB 3.28Å; K636-D671 VanDerWaalsContact NZ-CG 3.33Å; K636-D671 PolarHBondContact NZ-O 3.42Å; K636-D671 IonicContact NZ-OD2 2.74Å; K636-D671 PolarHBondContact NZ-OD2 3.37Å; L667-D671 WeakPolarHBondContact O-CA 3.5Å; L667-D671 PolarHBondContact O-N 3.2Å; L667-D671 VanDerWaalsContact O-N 3.12Å; T668-D671 PolarHBondContact O-N 2.86Å
672F96.3Very high95.3Very high5 Ų536.7 Ų36.72%0.02220%0.198CC..  trans-100.2126.4175.7-63.9-31.5000110.9K636 P637 F639 F666 L667 H670 Y796K636-F672 HydrophobicContact CB-CD1 4.19Å; K636-F672 HydrophobicContact CB-CE1 4.44Å; K636-F672 HydrophobicContact CD-CD1 4.4Å; P637-F672 HydrophobicContact CG-CE1 4.35Å; F639-F672 HydrophobicContact CD2-CB 3.92Å; F639-F672 HydrophobicContact CD2-CD2 4.29Å; F639-F672 HydrophobicContact CD2-CG 4.28Å; F639-F672 HydrophobicContact CE2-CB 4.01Å; F639-F672 AromaticContact CE2-CD2 3.53Å; F639-F672 HydrophobicContact CE2-CD2 3.53Å; F639-F672 HydrophobicContact CE2-CE2 4.1Å; F639-F672 AromaticContact CE2-CG 3.88Å; F639-F672 HydrophobicContact CE2-CG 3.88Å; F639-F672 HydrophobicContact CZ-CD2 4.28Å; F666-F672 HydrophobicContact CE1-CD2 4.23Å; F666-F672 HydrophobicContact CE1-CE2 4.06Å; F666-F672 AromaticContact CE2-CE2 3.93Å; F666-F672 HydrophobicContact CE2-CE2 3.93Å; F666-F672 HydrophobicContact CZ-CD2 4.3Å; F666-F672 AromaticContact CZ-CE2 3.66Å; F666-F672 HydrophobicContact CZ-CE2 3.66Å; L667-F672 HydrophobicContact CD2-CB 4Å; L667-F672 HydrophobicContact CD2-CD2 4.22Å; L667-F672 PolarHBondContact O-N 2.89Å; H670-F672 HydrophobicContact CB-CD1 3.98Å; H670-F672 HydrophobicContact CB-CD2 3.94Å; H670-F672 HydrophobicContact CB-CE1 3.6Å; H670-F672 HydrophobicContact CB-CE2 3.57Å; H670-F672 HydrophobicContact CB-CG 4.16Å; H670-F672 HydrophobicContact CB-CZ 3.39Å; H670-F672 AromaticContact CD2-CE2 3.76Å; H670-F672 AromaticContact CD2-CZ 3.99Å; H670-F672 AromaticContact CG-CZ 3.94Å; F672-Y796 HydrophobicContact CE1-CD2 4.29Å; F672-Y796 HydrophobicContact CE1-CE1 4.45Å; F672-Y796 AromaticContact CE1-CE2 3.82Å; F672-Y796 HydrophobicContact CE1-CE2 3.82Å; F672-Y796 AromaticContact CE1-CZ 3.9Å; F672-Y796 AromaticContact CZ-CD1 3.86Å; F672-Y796 HydrophobicContact CZ-CD1 3.86Å; F672-Y796 AromaticContact CZ-CD2 3.74Å; F672-Y796 HydrophobicContact CZ-CD2 3.74Å; F672-Y796 AromaticContact CZ-CE1 3.72Å; F672-Y796 HydrophobicContact CZ-CE1 3.72Å; F672-Y796 AromaticContact CZ-CE2 3.61Å; F672-Y796 HydrophobicContact CZ-CE2 3.61Å; F672-Y796 AromaticContact CZ-CG 3.86Å; F672-Y796 HydrophobicContact CZ-CG 3.86Å; F672-Y796 AromaticContact CZ-CZ 3.59Å
673S93.2Very high95.1Very high31 Ų3140.2 Ų40.222%0.21720%0.203CC..  trans-72.1128.6176-420000111.1S626 F639S626-S673 VanDerWaalsContact OG-CB 3.32Å; S626-S673 WeakPolarHBondContact OG-CB 3.24Å; S626-S673 PolarHBondContact OG-OG 2.98Å; F639-S673 PolarHBondContact N-O 3.44Å
674L97.9Very high94.8Very high0 Ų040.7 Ų40.70%021%0.205CC..EExtended strand (participates in β ladder)trans-10996.6176178.967.2000110.3P612 F614 S615 F639 L658 L667 P676 L714P612-L674 HydrophobicContact CB-CD2 3.55Å; F614-L674 CarbonylContact C-O 3.59Å; F614-L674 VanDerWaalsContact CA-O 3.27Å; F614-L674 WeakPolarHBondContact CA-O 3.37Å; F614-L674 HydrophobicContact CD1-CD2 3.75Å; F614-L674 HydrophobicContact CD1-CG 3.95Å; F614-L674 HydrophobicContact CE1-CD2 3.65Å; F614-L674 HydrophobicContact CE1-CG 4.13Å; F614-L674 HydrophobicContact CZ-CD2 4.43Å; S615-L674 PolarHBondContact N-O 3.03Å; S615-L674 PolarHBondContact OG-O 2.93Å; F639-L674 HydrophobicContact CB-CD1 3.65Å; L658-L674 HydrophobicContact CD1-CD2 4.26Å; L667-L674 HydrophobicContact CD1-CD2 4.02Å; L674-P676 WeakPolarHBondContact O-CD 3.24Å; L674-L714 HydrophobicContact CD1-CD1 3.57Å
675W98.1Very high94.8Very high0 Ų042.3 Ų42.30%021%0.212CC..EExtended strand (participates in β ladder)trans-86118.9-178.7-171.877.7000111.5T592 S615 C617 F619 A622 L638 F639 I640 Y641 W677 L688 W691T592-W675 HydrophobicContact CG2-CZ2 4.17Å; S615-W675 VanDerWaalsContact OG-CA 3.27Å; S615-W675 WeakPolarHBondContact OG-CA 3.42Å; S615-W675 WeakPolarHBondContact OG-CB 3.39Å; S615-W675 PolarHBondContact OG-N 3.42Å; C617-W675 PolarHBondContact O-NE1 2.83Å; F619-W675 HydrophobicContact CB-CH2 4.08Å; F619-W675 HydrophobicContact CB-CZ2 3.74Å; F619-W675 HydrophobicContact CD2-CD2 4.2Å; F619-W675 HydrophobicContact CD2-CE3 4.04Å; F619-W675 HydrophobicContact CD2-CH2 4.49Å; F619-W675 HydrophobicContact CD2-CZ3 4.19Å; F619-W675 HydrophobicContact CG-CH2 4.5Å; A622-W675 HydrophobicContact CB-CB 4.21Å; A622-W675 HydrophobicContact CB-CG 4.11Å; L638-W675 HydrophobicContact CD1-CB 4.07Å; F639-W675 PolarHBondContact O-N 2.93Å; I640-W675 WeakPolarHBondContact CA-O 3.47Å; I640-W675 HydrophobicContact CG2-CE3 4.26Å; Y641-W675 PolarHBondContact N-O 3Å; W675-W677 HydrophobicContact CH2-CB 3.98Å; W675-W677 AromaticContact CH2-CD2 3.67Å; W675-W677 HydrophobicContact CH2-CD2 3.67Å; W675-W677 AromaticContact CH2-CE3 3.4Å; W675-W677 HydrophobicContact CH2-CE3 3.4Å; W675-W677 VanDerWaalsContact CH2-CE3 3.4Å; W675-W677 AromaticContact CH2-CG 3.95Å; W675-W677 HydrophobicContact CH2-CG 3.95Å; W675-W677 HydrophobicContact CH2-CZ3 4.16Å; W675-W677 HydrophobicContact CZ2-CD2 4.23Å; W675-W677 AromaticContact CZ2-CE3 3.47Å; W675-W677 HydrophobicContact CZ2-CE3 3.47Å; W675-W677 VanDerWaalsContact CZ2-CE3 3.47Å; W675-W677 AromaticContact CZ2-CZ3 3.91Å; W675-W677 HydrophobicContact CZ2-CZ3 3.91Å; W675-W677 HydrophobicContact CZ3-CB 3.83Å; W675-W677 HydrophobicContact CZ3-CD2 4.43Å; W675-W677 HydrophobicContact CZ3-CE3 4.37Å; W675-W677 HydrophobicContact CZ3-CG 4.25Å; W675-L688 HydrophobicContact CH2-CD1 3.89Å; W675-L688 HydrophobicContact CZ3-CD1 3.78Å; W675-W691 HydrophobicContact CH2-CE3 4.31Å; W675-W691 HydrophobicContact CH2-CZ3 4.01Å; W675-W691 HydrophobicContact CZ2-CZ3 4.3Å
676P98Very high94.7Very high0 Ų040.6 Ų40.60%021%0.21CC..EExtended strand (participates in β ladder)trans-96.3151.8-176.336.1-32.4000113.5T592 F595 F614 Y641 L674T592-P676 HydrophobicContact CG2-CG 4.34Å; T592-P676 WeakPolarHBondContact CG2-O 3.43Å; F595-P676 HydrophobicContact CD1-CB 3.38Å; F595-P676 HydrophobicContact CD1-CG 3.69Å; F595-P676 HydrophobicContact CD2-CB 4.14Å; F595-P676 HydrophobicContact CE1-CB 3.38Å; F595-P676 HydrophobicContact CE1-CG 4.15Å; F595-P676 HydrophobicContact CE2-CB 4.1Å; F595-P676 HydrophobicContact CG-CB 3.81Å; F595-P676 HydrophobicContact CG-CG 4.1Å; F595-P676 HydrophobicContact CZ-CB 3.76Å; F614-P676 HydrophobicContact CB-CG 4.26Å; F614-P676 HydrophobicContact CD1-CB 3.7Å; F614-P676 HydrophobicContact CD1-CG 3.8Å; F614-P676 HydrophobicContact CE1-CB 3.93Å; F614-P676 HydrophobicContact CG-CG 4.27Å; Y641-P676 CarbonylContact O-C 3.53Å; Y641-P676 WeakPolarHBondContact O-CA 3.47Å; L674-P676 WeakPolarHBondContact O-CD 3.24Å
677W97.7Very high94.5Very high1 Ų144.1 Ų44.10%0.00422%0.223CC..EExtended strand (participates in β ladder)trans-150.3145.3167.3-155.8-105.5000111.7I579 P588 A591 T592 Y641 L642 H643 W675 I684 L688 W691I579-W677 HydrophobicContact CD1-CD2 3.95Å; I579-W677 HydrophobicContact CD1-CE3 3.97Å; I579-W677 HydrophobicContact CD1-CG 4.39Å; I579-W677 HydrophobicContact CD1-CZ3 4.26Å; P588-W677 HydrophobicContact CB-CH2 4.47Å; P588-W677 HydrophobicContact CB-CZ3 4.43Å; A591-W677 HydrophobicContact CB-CH2 3.72Å; A591-W677 HydrophobicContact CB-CZ3 3.78Å; T592-W677 HydrophobicContact CG2-CE3 4.12Å; T592-W677 HydrophobicContact CG2-CZ3 4.14Å; Y641-W677 PolarHBondContact O-N 3.38Å; L642-W677 CarbonylContact C-O 3.31Å; L642-W677 WeakPolarHBondContact CA-O 3.04Å; L642-W677 HydrophobicContact CD2-CB 3.87Å; H643-W677 PolarHBondContact N-O 3.42Å; W675-W677 HydrophobicContact CH2-CB 3.98Å; W675-W677 AromaticContact CH2-CD2 3.67Å; W675-W677 HydrophobicContact CH2-CD2 3.67Å; W675-W677 AromaticContact CH2-CE3 3.4Å; W675-W677 HydrophobicContact CH2-CE3 3.4Å; W675-W677 VanDerWaalsContact CH2-CE3 3.4Å; W675-W677 AromaticContact CH2-CG 3.95Å; W675-W677 HydrophobicContact CH2-CG 3.95Å; W675-W677 HydrophobicContact CH2-CZ3 4.16Å; W675-W677 HydrophobicContact CZ2-CD2 4.23Å; W675-W677 AromaticContact CZ2-CE3 3.47Å; W675-W677 HydrophobicContact CZ2-CE3 3.47Å; W675-W677 VanDerWaalsContact CZ2-CE3 3.47Å; W675-W677 AromaticContact CZ2-CZ3 3.91Å; W675-W677 HydrophobicContact CZ2-CZ3 3.91Å; W675-W677 HydrophobicContact CZ3-CB 3.83Å; W675-W677 HydrophobicContact CZ3-CD2 4.43Å; W675-W677 HydrophobicContact CZ3-CE3 4.37Å; W675-W677 HydrophobicContact CZ3-CG 4.25Å; W677-I684 HydrophobicContact CZ2-CG2 3.7Å; W677-I684 PolarHBondContact NE1-O 3.2Å; W677-I684 VanDerWaalsContact NE1-O 3.1Å; W677-L688 HydrophobicContact CB-CD1 4.39Å; W677-L688 HydrophobicContact CG-CD1 4.01Å; W677-L688 HydrophobicContact CG-CD2 4.49Å; W677-W691 HydrophobicContact CD2-CZ3 4.38Å; W677-W691 AromaticContact CE2-CZ3 3.98Å; W677-W691 HydrophobicContact CE3-CZ3 4.37Å; W677-W691 AromaticContact CH2-CH2 3.56Å; W677-W691 HydrophobicContact CH2-CH2 3.56Å; W677-W691 AromaticContact CH2-CZ3 3.67Å; W677-W691 HydrophobicContact CH2-CZ3 3.67Å; W677-W691 AromaticContact CZ2-CH2 3.77Å; W677-W691 HydrophobicContact CZ2-CH2 3.77Å; W677-W691 AromaticContact CZ2-CZ3 3.63Å; W677-W691 HydrophobicContact CZ2-CZ3 3.63Å; W677-W691 HydrophobicContact CZ3-CH2 4.18Å; W677-W691 HydrophobicContact CZ3-CZ3 4.04Å
678D96.7Very high94.5Very high2 Ų244 Ų441%0.01122%0.223CC..EExtended strand (participates in β ladder)trans-101.7125.6172.1-172.2-5.6000109.7P577 L578 I579 F595 T680 I684P577-D678 WeakPolarHBondContact CB-OD2 3.5Å; L578-D678 HydrophobicContact CB-CB 4.21Å; L578-D678 PolarHBondContact N-OD2 3.29Å; I579-D678 HydrophobicContact CB-CB 4.02Å; I579-D678 HydrophobicContact CD1-CB 3.9Å; I579-D678 HydrophobicContact CG1-CB 3.69Å; I579-D678 PolarHBondContact N-OD2 3.42Å; F595-D678 HydrophobicContact CD2-CB 4.11Å; F595-D678 HydrophobicContact CE2-CB 4.33Å; D678-T680 WeakPolarHBondContact OD1-CB 3.25Å; D678-T680 PolarHBondContact OD1-N 3.4Å; D678-T680 PolarHBondContact OD1-OG1 2.99Å; D678-I684 VanDerWaalsContact O-CG2 3.31Å; D678-I684 WeakPolarHBondContact O-CG2 3.49Å
679I95.7Very high94.6Very high4 Ų441.5 Ų41.52%0.02121%0.206CC..  trans-109.210.3178.567.7141.4000113.3H643 N644 L681 K685 L688 Y711H643-I679 WeakPolarHBondContact O-CG1 3.41Å; H643-I679 PolarHBondContact O-N 2.89Å; N644-I679 HydrophobicContact CB-CD1 4.45Å; N644-I679 HydrophobicContact CB-CG1 4.08Å; I679-L681 PolarHBondContact O-N 2.94Å; I679-K685 HydrophobicContact CB-CB 3.96Å; I679-K685 HydrophobicContact CB-CD 4.32Å; I679-K685 HydrophobicContact CB-CG 3.98Å; I679-K685 HydrophobicContact CD1-CD 4.03Å; I679-K685 HydrophobicContact CD1-CG 4.43Å; I679-K685 HydrophobicContact CG2-CB 4.4Å; I679-K685 HydrophobicContact CG2-CG 4.31Å; I679-L688 HydrophobicContact CG2-CD2 3.57Å; I679-Y711 HydrophobicContact CD1-CD1 3.81Å; I679-Y711 HydrophobicContact CD1-CE1 3.28Å; I679-Y711 HydrophobicContact CD1-CE2 4.08Å; I679-Y711 HydrophobicContact CD1-CG 4.41Å; I679-Y711 VanDerWaalsContact CD1-CZ 3.44Å; I679-Y711 HydrophobicContact CG1-CD1 4.29Å; I679-Y711 HydrophobicContact CG1-CE1 4.11Å
680T95Very high94.6Very high38 Ų3838.9 Ų38.923%0.23320%0.2CC..SBendtrans-54.9-38.9177.6-56.10000111.6P577 N644 D645 D678P577-T680 HydrophobicContact CB-CG2 4.46Å; N644-T680 WeakPolarHBondContact CA-OG1 3.49Å; D645-T680 HydrophobicContact CB-CG2 3.99Å; D645-T680 PolarHBondContact N-OG1 3.45Å; D678-T680 WeakPolarHBondContact OD1-CB 3.25Å; D678-T680 PolarHBondContact OD1-N 3.4Å; D678-T680 PolarHBondContact OD1-OG1 2.99Å
681L93.5Very high94.6Very high40 Ų4039.3 Ų39.321%0.20920%0.2CC..SBendtrans-94.6124.2-179.6-64.7170.4000111.1P577 I579 D581 I679 R683 I684 K685P577-L681 HydrophobicContact CB-CD1 4.38Å; P577-L681 HydrophobicContact CB-CG 4.47Å; P577-L681 HydrophobicContact CG-CD1 3.82Å; P577-L681 HydrophobicContact CG-CG 4.18Å; I579-L681 WeakPolarHBondContact O-CD1 3.27Å; D581-L681 HydrophobicContact CB-CD1 3.55Å; D581-L681 HydrophobicContact CB-CD2 4.31Å; I679-L681 PolarHBondContact O-N 2.94Å; L681-R683 VanDerWaalsContact C-N 3.31Å; L681-R683 PolarHBondContact O-N 3.23Å; L681-I684 HydrophobicContact CB-CB 4.29Å; L681-I684 HydrophobicContact CB-CD1 4.08Å; L681-I684 HydrophobicContact CB-CG1 3.95Å; L681-I684 HydrophobicContact CD1-CD1 3.65Å; L681-I684 HydrophobicContact CD1-CG1 4.37Å; L681-I684 HydrophobicContact CG-CD1 4.5Å; L681-I684 PolarHBondContact O-N 2.99Å; L681-K685 PolarHBondContact O-N 3.4Å
682T91.9Very high94.8Very high98 Ų9834.3 Ų34.360%0.60117%0.173SC*.Hα-helixtrans-53-44.3-175.8-450000113.1I684 K685 E686T682-I684 PolarHBondContact O-N 3.23Å; T682-K685 WeakPolarHBondContact O-CB 3.38Å; T682-K685 PolarHBondContact O-N 2.87Å; T682-E686 HydrophobicContact CG2-CG 4.34Å; T682-E686 WeakPolarHBondContact O-CB 3.42Å; T682-E686 WeakPolarHBondContact O-CG 3.38Å; T682-E686 PolarHBondContact O-N 2.76Å
683R90.5Very high94.7Very high99 Ų9940.1 Ų40.137%0.37420%0.2SC..Hα-helixtrans-53.6-40.3175.5177.6178.37098.5-9112.9D581 D582 L681 R687D581-R683 IonicContact OD1-CZ 3.77Å; D581-R683 IonicContact OD1-NE 2.72Å; D581-R683 PolarHBondContact OD1-NE 3.37Å; D581-R683 IonicContact OD1-NH2 3.64Å; D581-R683 PolarHBondContact OD1-NH2 3.31Å; D582-R683 PolarHBondContact O-NH2 3.3Å; L681-R683 VanDerWaalsContact C-N 3.31Å; L681-R683 PolarHBondContact O-N 3.23Å; R683-R687 PolarHBondContact O-N 3.44Å
684I90.7Very high94.6Very high10 Ų1044.1 Ų44.15%0.05122%0.223CC..Hα-helixtrans-83.8-30.4-174.9-51.2-169.4000110.4I579 W677 D678 L681 T682 L688I579-I684 HydrophobicContact CB-CD1 4.15Å; I579-I684 HydrophobicContact CD1-CG2 4.39Å; I579-I684 HydrophobicContact CG2-CD1 3.67Å; I579-I684 HydrophobicContact CG2-CG2 4.48Å; W677-I684 HydrophobicContact CZ2-CG2 3.7Å; W677-I684 PolarHBondContact NE1-O 3.2Å; W677-I684 VanDerWaalsContact NE1-O 3.1Å; D678-I684 VanDerWaalsContact O-CG2 3.31Å; D678-I684 WeakPolarHBondContact O-CG2 3.49Å; L681-I684 HydrophobicContact CB-CB 4.29Å; L681-I684 HydrophobicContact CB-CD1 4.08Å; L681-I684 HydrophobicContact CB-CG1 3.95Å; L681-I684 HydrophobicContact CD1-CD1 3.65Å; L681-I684 HydrophobicContact CD1-CG1 4.37Å; L681-I684 HydrophobicContact CG-CD1 4.5Å; L681-I684 PolarHBondContact O-N 2.99Å; T682-I684 PolarHBondContact O-N 3.23Å; I684-L688 PolarHBondContact O-N 3.28Å
685K94Very high94.4Very high52 Ų5247.4 Ų47.423%0.22624%0.238CC..Hα-helixtrans-67.8-46.5169.1-173.8178-177.2177.30112.8I679 L681 T682 R687 L688 I689I679-K685 HydrophobicContact CB-CB 3.96Å; I679-K685 HydrophobicContact CB-CD 4.32Å; I679-K685 HydrophobicContact CB-CG 3.98Å; I679-K685 HydrophobicContact CD1-CD 4.03Å; I679-K685 HydrophobicContact CD1-CG 4.43Å; I679-K685 HydrophobicContact CG2-CB 4.4Å; I679-K685 HydrophobicContact CG2-CG 4.31Å; L681-K685 PolarHBondContact O-N 3.4Å; T682-K685 WeakPolarHBondContact O-CB 3.38Å; T682-K685 PolarHBondContact O-N 2.87Å; K685-R687 VanDerWaalsContact C-N 3.28Å; K685-R687 PolarHBondContact O-N 2.92Å; K685-L688 WeakPolarHBondContact O-CB 3.08Å; K685-L688 PolarHBondContact O-N 3.43Å; K685-I689 HydrophobicContact CG-CD1 4.01Å; K685-I689 WeakPolarHBondContact O-CG1 3.5Å; K685-I689 PolarHBondContact O-N 3.35Å
686E93.1Very high94.2Very high127 Ų12747.5 Ų47.559%0.59324%0.238SC*.Hα-helixtrans-58.9-41.2176.4-74.8170.1173.300111.2T682 I689 G690T682-E686 HydrophobicContact CG2-CG 4.34Å; T682-E686 WeakPolarHBondContact O-CB 3.42Å; T682-E686 WeakPolarHBondContact O-CG 3.38Å; T682-E686 PolarHBondContact O-N 2.76Å; E686-I689 PolarHBondContact O-N 3.11Å; E686-G690 PolarHBondContact O-N 3.17Å
687R92.9Very high93.9Very high86 Ų8651.3 Ų51.333%0.32526%0.263SS..Hα-helixtrans-59.3-45.6174.1-171.2178-169.1-173.93.2112.8E586 R683 K685 G690 W691E586-R687 PolarHBondContact O-NH1 3.08Å; E586-R687 PolarHBondContact O-NH2 2.81Å; R683-R687 PolarHBondContact O-N 3.44Å; K685-R687 VanDerWaalsContact C-N 3.28Å; K685-R687 PolarHBondContact O-N 2.92Å; R687-G690 PolarHBondContact O-N 2.83Å; R687-W691 HydrophobicContact CG-CH2 4.06Å; R687-W691 HydrophobicContact CG-CZ2 3.87Å; R687-W691 PolarHBondContact O-N 2.65Å
688L94.9Very high93.5Very high0 Ų054 Ų540%028%0.278CS..Hα-helixtrans-62.4-44.9176.2-176.171.9000111.8L642 W675 W677 I679 I684 K685 G690 W691 F692L642-L688 HydrophobicContact CD1-CD2 4.13Å; L642-L688 HydrophobicContact CD2-CD2 3.62Å; W675-L688 HydrophobicContact CH2-CD1 3.89Å; W675-L688 HydrophobicContact CZ3-CD1 3.78Å; W677-L688 HydrophobicContact CB-CD1 4.39Å; W677-L688 HydrophobicContact CG-CD1 4.01Å; W677-L688 HydrophobicContact CG-CD2 4.49Å; I679-L688 HydrophobicContact CG2-CD2 3.57Å; I684-L688 PolarHBondContact O-N 3.28Å; K685-L688 WeakPolarHBondContact O-CB 3.08Å; K685-L688 PolarHBondContact O-N 3.43Å; L688-G690 VanDerWaalsContact C-N 3.31Å; L688-G690 PolarHBondContact O-N 2.96Å; L688-W691 HydrophobicContact CD1-CE3 4.15Å; L688-W691 PolarHBondContact O-N 2.98Å; L688-W691 VanDerWaalsContact O-N 3.12Å; L688-F692 HydrophobicContact CD1-CD1 4.35Å; L688-F692 HydrophobicContact CD1-CD2 4.47Å; L688-F692 HydrophobicContact CD1-CE1 3.73Å; L688-F692 HydrophobicContact CD1-CE2 3.87Å; L688-F692 HydrophobicContact CD1-CZ 3.47Å; L688-F692 VanDerWaalsContact CD1-CZ 3.47Å; L688-F692 HydrophobicContact CD2-CD2 4.42Å; L688-F692 HydrophobicContact CD2-CE2 3.84Å; L688-F692 HydrophobicContact CD2-CZ 4.22Å; L688-F692 HydrophobicContact CG-CD2 4.08Å; L688-F692 HydrophobicContact CG-CE1 4.35Å; L688-F692 HydrophobicContact CG-CE2 3.76Å; L688-F692 HydrophobicContact CG-CZ 3.91Å; L688-F692 PolarHBondContact O-N 2.91Å
689I95.5Very high93.4Very high28 Ų2854 Ų5414%0.14428%0.277CS..Hα-helixtrans-58.4-44.5178.6-71.2168000110.1K685 E686 W691 F692 E693K685-I689 HydrophobicContact CG-CD1 4.01Å; K685-I689 WeakPolarHBondContact O-CG1 3.5Å; K685-I689 PolarHBondContact O-N 3.35Å; E686-I689 PolarHBondContact O-N 3.11Å; I689-W691 VanDerWaalsContact C-N 3.3Å; I689-W691 PolarHBondContact O-N 2.96Å; I689-F692 CarbonylContact O-C 3.07Å; I689-F692 PolarHBondContact O-N 2.81Å; I689-F692 VanDerWaalsContact O-N 3.11Å; I689-E693 HydrophobicContact CG2-CG 4.16Å; I689-E693 WeakPolarHBondContact O-CG 3.22Å; I689-E693 PolarHBondContact O-N 2.57Å
690G94.3Very high93.3Very high35 Ų3554 Ų5436%0.36128%0.278SS..Hα-helixtrans-60.5-32.5176.100000114.5E686 R687 L688E686-G690 PolarHBondContact O-N 3.17Å; R687-G690 PolarHBondContact O-N 2.83Å; L688-G690 VanDerWaalsContact C-N 3.31Å; L688-G690 PolarHBondContact O-N 2.96Å
691W94.9Very high93.1Very high63 Ų6359.9 Ų59.924%0.23930%0.296CS..Hα-helixtrans-72.7-42.4171.7-63.5-30.8000112.2P588 F619 W675 W677 R687 L688 I689 V694 K695P588-W691 HydrophobicContact CB-CH2 3.82Å; P588-W691 HydrophobicContact CB-CZ2 4.29Å; P588-W691 HydrophobicContact CG-CH2 3.65Å; P588-W691 HydrophobicContact CG-CZ2 3.64Å; F619-W691 HydrophobicContact CD1-CB 4.11Å; F619-W691 HydrophobicContact CE1-CB 4.39Å; W675-W691 HydrophobicContact CH2-CE3 4.31Å; W675-W691 HydrophobicContact CH2-CZ3 4.01Å; W675-W691 HydrophobicContact CZ2-CZ3 4.3Å; W677-W691 HydrophobicContact CD2-CZ3 4.38Å; W677-W691 AromaticContact CE2-CZ3 3.98Å; W677-W691 HydrophobicContact CE3-CZ3 4.37Å; W677-W691 AromaticContact CH2-CH2 3.56Å; W677-W691 HydrophobicContact CH2-CH2 3.56Å; W677-W691 AromaticContact CH2-CZ3 3.67Å; W677-W691 HydrophobicContact CH2-CZ3 3.67Å; W677-W691 AromaticContact CZ2-CH2 3.77Å; W677-W691 HydrophobicContact CZ2-CH2 3.77Å; W677-W691 AromaticContact CZ2-CZ3 3.63Å; W677-W691 HydrophobicContact CZ2-CZ3 3.63Å; W677-W691 HydrophobicContact CZ3-CH2 4.18Å; W677-W691 HydrophobicContact CZ3-CZ3 4.04Å; R687-W691 HydrophobicContact CG-CH2 4.06Å; R687-W691 HydrophobicContact CG-CZ2 3.87Å; R687-W691 PolarHBondContact O-N 2.65Å; L688-W691 HydrophobicContact CD1-CE3 4.15Å; L688-W691 PolarHBondContact O-N 2.98Å; L688-W691 VanDerWaalsContact O-N 3.12Å; I689-W691 VanDerWaalsContact C-N 3.3Å; I689-W691 PolarHBondContact O-N 2.96Å; W691-V694 PolarHBondContact O-N 2.81Å; W691-K695 PolarHBondContact O-N 3.1Å; W691-K695 VanDerWaalsContact O-N 3.1Å
692F95.4Very high93Very high1 Ų159.5 Ų59.50%0.00429%0.294CS..Hα-helixtrans-73.9-29.7-178.6-69.5-3000113F619 I640 L642 L688 I689 V694 K695 L696 P697 L699 I703F619-F692 HydrophobicContact CD1-CE1 4.46Å; F619-F692 HydrophobicContact CD2-CE1 4.32Å; F619-F692 AromaticContact CE1-CD1 3.91Å; F619-F692 HydrophobicContact CE1-CD1 3.91Å; F619-F692 AromaticContact CE1-CE1 3.91Å; F619-F692 HydrophobicContact CE1-CE1 3.91Å; F619-F692 AromaticContact CE2-CE1 3.78Å; F619-F692 HydrophobicContact CE2-CE1 3.78Å; F619-F692 AromaticContact CZ-CD1 3.84Å; F619-F692 HydrophobicContact CZ-CD1 3.84Å; F619-F692 AromaticContact CZ-CE1 3.54Å; F619-F692 HydrophobicContact CZ-CE1 3.54Å; I640-F692 HydrophobicContact CD1-CE1 4.14Å; I640-F692 HydrophobicContact CD1-CZ 3.87Å; I640-F692 HydrophobicContact CG2-CZ 4.11Å; L642-F692 HydrophobicContact CD1-CE2 4.41Å; L688-F692 HydrophobicContact CD1-CD1 4.35Å; L688-F692 HydrophobicContact CD1-CD2 4.47Å; L688-F692 HydrophobicContact CD1-CE1 3.73Å; L688-F692 HydrophobicContact CD1-CE2 3.87Å; L688-F692 HydrophobicContact CD1-CZ 3.47Å; L688-F692 VanDerWaalsContact CD1-CZ 3.47Å; L688-F692 HydrophobicContact CD2-CD2 4.42Å; L688-F692 HydrophobicContact CD2-CE2 3.84Å; L688-F692 HydrophobicContact CD2-CZ 4.22Å; L688-F692 HydrophobicContact CG-CD2 4.08Å; L688-F692 HydrophobicContact CG-CE1 4.35Å; L688-F692 HydrophobicContact CG-CE2 3.76Å; L688-F692 HydrophobicContact CG-CZ 3.91Å; L688-F692 PolarHBondContact O-N 2.91Å; I689-F692 CarbonylContact O-C 3.07Å; I689-F692 PolarHBondContact O-N 2.81Å; I689-F692 VanDerWaalsContact O-N 3.11Å; F692-V694 PolarHBondContact O-N 2.83Å; F692-K695 PolarHBondContact O-N 2.87Å; F692-L696 HydrophobicContact CB-CB 4.41Å; F692-L696 HydrophobicContact CD1-CD1 4.25Å; F692-L696 HydrophobicContact CE1-CD1 4.27Å; F692-L696 CarbonylContact O-C 3.59Å; F692-L696 VanDerWaalsContact O-CA 3.29Å; F692-L696 WeakPolarHBondContact O-CA 3.39Å; F692-L696 PolarHBondContact O-N 3.49Å; F692-L696 VanDerWaalsContact O-O 3.12Å; F692-P697 VanDerWaalsContact O-N 3.11Å; F692-L699 HydrophobicContact CD2-CD2 3.82Å; F692-L699 HydrophobicContact CD2-CG 4.1Å; F692-L699 HydrophobicContact CE2-CD2 3.52Å; F692-L699 HydrophobicContact CE2-CG 4.15Å; F692-L699 HydrophobicContact CG-CD2 4.47Å; F692-L699 HydrophobicContact CZ-CD2 3.95Å; F692-I703 HydrophobicContact CD2-CD1 3.67Å; F692-I703 HydrophobicContact CE2-CD1 3.53Å
693E94.4Very high93.1Very high127 Ų12754.9 Ų54.959%0.59327%0.265SS*.Hα-helixtrans-59.6-33.7171.9-77-178.4171.400112.5I689 S700I689-E693 HydrophobicContact CG2-CG 4.16Å; I689-E693 WeakPolarHBondContact O-CG 3.22Å; I689-E693 PolarHBondContact O-N 2.57Å; E693-S700 WeakPolarHBondContact CG-OG 3.48Å
694V92.7Very high93.2Very high116 Ų11654.3 Ų54.370%0.70327%0.273SS*.Hα-helixtrans-83.3-38.4178.7178.80000112.5W691 F692W691-V694 PolarHBondContact O-N 2.81Å; F692-V694 PolarHBondContact O-N 2.83Å
695K93.1Very high93.3Very high69 Ų6958.3 Ų58.330%0.330%0.302SS..Hα-helixtrans-108.3-31.7-168.5-66.6-74.6-178.8148.20115.1F619 E620 L623 W691 F692F619-K695 HydrophobicContact CE1-CB 3.98Å; F619-K695 HydrophobicContact CE1-CG 4.18Å; F619-K695 HydrophobicContact CZ-CB 4.47Å; E620-K695 IonicContact OE1-NZ 2.68Å; E620-K695 PolarHBondContact OE1-NZ 2.75Å; E620-K695 WeakPolarHBondContact OE2-CE 3.42Å; E620-K695 IonicContact OE2-NZ 3.1Å; E620-K695 PolarHBondContact OE2-NZ 2.83Å; L623-K695 HydrophobicContact CD1-CB 4.36Å; L623-K695 HydrophobicContact CD1-CD 4.21Å; L623-K695 HydrophobicContact CD1-CG 4.33Å; W691-K695 PolarHBondContact O-N 3.1Å; W691-K695 VanDerWaalsContact O-N 3.1Å; F692-K695 PolarHBondContact O-N 2.87Å
696L94.4Very high93.2Very high2 Ų257.2 Ų57.21%0.0130%0.298CS..  trans-141.959.8-172.8-64.2175.5000110.8F619 I640 F692 N698 L699 S700 I717 L724F619-L696 HydrophobicContact CE2-CD1 4.39Å; F619-L696 HydrophobicContact CZ-CD1 3.79Å; F619-L696 HydrophobicContact CZ-CG 4.41Å; I640-L696 HydrophobicContact CD1-CD1 3.93Å; F692-L696 HydrophobicContact CB-CB 4.41Å; F692-L696 HydrophobicContact CD1-CD1 4.25Å; F692-L696 HydrophobicContact CE1-CD1 4.27Å; F692-L696 CarbonylContact O-C 3.59Å; F692-L696 VanDerWaalsContact O-CA 3.29Å; F692-L696 WeakPolarHBondContact O-CA 3.39Å; F692-L696 PolarHBondContact O-N 3.49Å; F692-L696 VanDerWaalsContact O-O 3.12Å; L696-N698 PolarHBondContact O-N 2.9Å; L696-N698 VanDerWaalsContact O-N 3.15Å; L696-L699 HydrophobicContact CB-CB 3.82Å; L696-L699 HydrophobicContact CB-CD2 4.44Å; L696-L699 HydrophobicContact CD1-CD2 3.77Å; L696-L699 WeakPolarHBondContact O-CA 3.38Å; L696-L699 WeakPolarHBondContact O-CB 3.25Å; L696-L699 PolarHBondContact O-N 3.41Å; L696-S700 PolarHBondContact O-N 3.43Å; L696-I717 HydrophobicContact CD1-CD1 3.95Å; L696-I717 HydrophobicContact CD1-CG1 4.05Å; L696-I717 HydrophobicContact CD1-CG2 4.21Å; L696-I717 HydrophobicContact CD2-CD1 4.45Å; L696-I717 HydrophobicContact CD2-CG2 3.67Å; L696-L724 HydrophobicContact CD2-CB 3.66Å; L696-L724 HydrophobicContact CD2-CD1 4.28Å
697P91.4Very high93.3Very high80 Ų8053.9 Ų53.952%0.51929%0.289SS..Hα-helixtrans-61-29.9-171.823.2-34.2000113F692 R701F692-P697 VanDerWaalsContact O-N 3.11Å; P697-R701 WeakPolarHBondContact O-CB 3.12Å; P697-R701 PolarHBondContact O-N 3.48Å; P697-R701 VanDerWaalsContact O-N 3.1Å
698N89.6Confident93.3Very high58 Ų5852.6 Ų52.631%0.3129%0.29SS..Hα-helixtrans-59.4-45170.1-79.9-27.5000111.9L696 I702 E725L696-N698 PolarHBondContact O-N 2.9Å; L696-N698 VanDerWaalsContact O-N 3.15Å; N698-I702 WeakPolarHBondContact O-CD1 3.44Å; N698-I702 VanDerWaalsContact O-CG1 3.31Å; N698-I702 WeakPolarHBondContact O-CG1 3.46Å; N698-I702 PolarHBondContact O-N 3.32Å; N698-E725 PolarHBondContact ND2-OE1 2.84Å; N698-E725 PolarHBondContact ND2-OE2 3.15Å
699L92.7Very high93.2Very high0 Ų057.9 Ų57.90%032%0.319CS..Hα-helixtrans-70.1-43.1178.9-168.261.7000112.1I640 F692 L696 R701 I702 I703 A715 I717 V726 I729I640-L699 HydrophobicContact CD1-CD2 4.23Å; F692-L699 HydrophobicContact CD2-CD2 3.82Å; F692-L699 HydrophobicContact CD2-CG 4.1Å; F692-L699 HydrophobicContact CE2-CD2 3.52Å; F692-L699 HydrophobicContact CE2-CG 4.15Å; F692-L699 HydrophobicContact CG-CD2 4.47Å; F692-L699 HydrophobicContact CZ-CD2 3.95Å; L696-L699 HydrophobicContact CB-CB 3.82Å; L696-L699 HydrophobicContact CB-CD2 4.44Å; L696-L699 HydrophobicContact CD1-CD2 3.77Å; L696-L699 WeakPolarHBondContact O-CA 3.38Å; L696-L699 WeakPolarHBondContact O-CB 3.25Å; L696-L699 PolarHBondContact O-N 3.41Å; L699-R701 VanDerWaalsContact C-N 3.34Å; L699-R701 PolarHBondContact O-N 3.47Å; L699-I702 PolarHBondContact O-N 3.2Å; L699-I702 VanDerWaalsContact O-N 3.14Å; L699-I703 HydrophobicContact CD1-CD1 4.11Å; L699-I703 HydrophobicContact CD1-CG1 4.46Å; L699-I703 HydrophobicContact CD2-CD1 4.22Å; L699-I703 HydrophobicContact CG-CD1 3.67Å; L699-I703 HydrophobicContact CG-CG1 4.41Å; L699-I703 WeakPolarHBondContact O-CG1 3.49Å; L699-I703 PolarHBondContact O-N 2.99Å; L699-A715 HydrophobicContact CD1-CB 4.19Å; L699-I717 HydrophobicContact CD2-CD1 4.04Å; L699-V726 HydrophobicContact CB-CG2 3.72Å; L699-V726 HydrophobicContact CD1-CG1 4.22Å; L699-V726 HydrophobicContact CD1-CG2 4.1Å; L699-V726 HydrophobicContact CG-CG2 4.36Å; L699-I729 HydrophobicContact CD1-CD1 3.92Å
700S94.1Very high93.2Very high6 Ų657.4 Ų57.44%0.04232%0.318CS..Hα-helixtrans-56.3-47.5176.6-179.60000111.7E693 L696 I702 I703 T704E693-S700 WeakPolarHBondContact CG-OG 3.48Å; L696-S700 PolarHBondContact O-N 3.43Å; S700-I702 VanDerWaalsContact C-N 3.32Å; S700-I702 PolarHBondContact O-N 3.16Å; S700-I703 PolarHBondContact O-N 3.03Å; S700-T704 VanDerWaalsContact O-CB 3.3Å; S700-T704 WeakPolarHBondContact O-CB 3.13Å; S700-T704 PolarHBondContact O-N 3.16Å; S700-T704 PolarHBondContact O-OG1 3.29Å
701R92Very high93.4Very high160 Ų16055.9 Ų55.960%0.60430%0.301SS*.Hα-helixtrans-59.6-39.8176.2179.4172.459.6101.5-1.6112.5P697 L699 S705P697-R701 WeakPolarHBondContact O-CB 3.12Å; P697-R701 PolarHBondContact O-N 3.48Å; P697-R701 VanDerWaalsContact O-N 3.1Å; L699-R701 VanDerWaalsContact C-N 3.34Å; L699-R701 PolarHBondContact O-N 3.47Å; R701-S705 PolarHBondContact O-OG 3.14Å
702I91.6Very high93.5Very high33 Ų3352.9 Ų52.917%0.16929%0.29CS..Hα-helixtrans-66.1-58.3177-67.7164.9000109.8N698 L699 S700 T704 S705 L706 I729N698-I702 WeakPolarHBondContact O-CD1 3.44Å; N698-I702 VanDerWaalsContact O-CG1 3.31Å; N698-I702 WeakPolarHBondContact O-CG1 3.46Å; N698-I702 PolarHBondContact O-N 3.32Å; L699-I702 PolarHBondContact O-N 3.2Å; L699-I702 VanDerWaalsContact O-N 3.14Å; S700-I702 VanDerWaalsContact C-N 3.32Å; S700-I702 PolarHBondContact O-N 3.16Å; I702-T704 VanDerWaalsContact C-N 3.26Å; I702-T704 PolarHBondContact O-N 2.73Å; I702-S705 WeakPolarHBondContact O-CA 3.49Å; I702-S705 PolarHBondContact O-N 3.33Å; I702-S705 PolarHBondContact O-OG 3.11Å; I702-L706 HydrophobicContact CG2-CD1 4.18Å; I702-L706 HydrophobicContact CG2-CG 4.3Å; I702-L706 WeakPolarHBondContact O-CG 3.41Å; I702-L706 PolarHBondContact O-N 3.08Å; I702-I729 HydrophobicContact CD1-CD1 3.78Å; I702-I729 HydrophobicContact CG2-CD1 3.9Å
703I92.9Very high93.6Very high0 Ų052.9 Ų52.90%029%0.29CS..Hα-helixtrans-54.2-40.5-177.3-75.1167.6000112.8L642 F692 L699 S700 S705 L706 Y711L642-I703 HydrophobicContact CD1-CD1 3.35Å; L642-I703 HydrophobicContact CD1-CG1 4.03Å; F692-I703 HydrophobicContact CD2-CD1 3.67Å; F692-I703 HydrophobicContact CE2-CD1 3.53Å; L699-I703 HydrophobicContact CD1-CD1 4.11Å; L699-I703 HydrophobicContact CD1-CG1 4.46Å; L699-I703 HydrophobicContact CD2-CD1 4.22Å; L699-I703 HydrophobicContact CG-CD1 3.67Å; L699-I703 HydrophobicContact CG-CG1 4.41Å; L699-I703 WeakPolarHBondContact O-CG1 3.49Å; L699-I703 PolarHBondContact O-N 2.99Å; S700-I703 PolarHBondContact O-N 3.03Å; I703-S705 PolarHBondContact O-N 3.13Å; I703-L706 PolarHBondContact O-N 3.23Å; I703-Y711 PolarHBondContact O-OH 3.14Å
704T93.7Very high93.8Very high87 Ų8746.9 Ų46.953%0.53426%0.262SS..Hα-helixtrans-66.9-22.6178.9-56.70000112.6S700 I702S700-T704 VanDerWaalsContact O-CB 3.3Å; S700-T704 WeakPolarHBondContact O-CB 3.13Å; S700-T704 PolarHBondContact O-N 3.16Å; S700-T704 PolarHBondContact O-OG1 3.29Å; I702-T704 VanDerWaalsContact C-N 3.26Å; I702-T704 PolarHBondContact O-N 2.73Å
705S91.5Very high94Very high94 Ų9441.4 Ų41.466%0.65723%0.229SC*.Hα-helixtrans-96.7-7.6179.371.70000115.3R701 I702 I703R701-S705 PolarHBondContact O-OG 3.14Å; I702-S705 WeakPolarHBondContact O-CA 3.49Å; I702-S705 PolarHBondContact O-N 3.33Å; I702-S705 PolarHBondContact O-OG 3.11Å; I703-S705 PolarHBondContact O-N 3.13Å
706L92.8Very high94.2Very high29 Ų2938.1 Ų38.115%0.15222%0.215CC..  trans-83.3141.9-176.3-69.4178.5000113.1I702 I703 Y711 I713 M731I702-L706 HydrophobicContact CG2-CD1 4.18Å; I702-L706 HydrophobicContact CG2-CG 4.3Å; I702-L706 WeakPolarHBondContact O-CG 3.41Å; I702-L706 PolarHBondContact O-N 3.08Å; I703-L706 PolarHBondContact O-N 3.23Å; L706-Y711 HydrophobicContact CB-CE2 3.97Å; L706-I713 HydrophobicContact CD1-CD1 3.65Å; L706-I713 HydrophobicContact CD1-CG1 4.04Å; L706-M731 HydrophobicContact CD2-SD 4.42Å
707S93.8Very high94.3Very high58 Ų5838 Ų3841%0.40621%0.214SC..  trans-72.1165.916875.70000111.5D709 S710 Y711S707-D709 VanDerWaalsContact C-N 3.27Å; S707-D709 VanDerWaalsContact CB-OD2 3.22Å; S707-D709 WeakPolarHBondContact CB-OD2 3.42Å; S707-D709 PolarHBondContact O-N 2.95Å; S707-D709 PolarHBondContact OG-OD2 3.39Å; S707-S710 WeakPolarHBondContact O-CB 3.49Å; S707-S710 PolarHBondContact O-N 3.48Å; S707-S710 PolarHBondContact O-OG 3.11Å; S707-S710 PolarHBondContact OG-OG 2.88Å; S707-Y711 VanDerWaalsContact O-CD2 3.27Å; S707-Y711 WeakPolarHBondContact O-CD2 3.21Å; S707-Y711 WeakPolarHBondContact O-CE2 3.44Å
708V94.4Very high94.6Very high58 Ų5834.2 Ų34.235%0.35219%0.189SC..G310 helixtrans-58.5-40.6175.8173.80000111.3S646 S647 S710 Y711S646-V708 WeakPolarHBondContact O-CG1 3.07Å; S647-V708 VanDerWaalsContact CB-O 3.3Å; S647-V708 WeakPolarHBondContact CB-O 3.33Å; S647-V708 PolarHBondContact OG-O 2.93Å; V708-S710 PolarHBondContact O-N 3.4Å; V708-S710 VanDerWaalsContact O-N 3.07Å; V708-Y711 WeakPolarHBondContact O-CB 3.14Å; V708-Y711 WeakPolarHBondContact O-CD2 3.37Å; V708-Y711 PolarHBondContact O-N 3.31Å
709D92.8Very high94.9Very high111 Ų11133.9 Ų33.959%0.59419%0.185SC*.G310 helixtrans-66.5-11.7-177.6-18.4-89.6000113.5S707 Y711S707-D709 VanDerWaalsContact C-N 3.27Å; S707-D709 VanDerWaalsContact CB-OD2 3.22Å; S707-D709 WeakPolarHBondContact CB-OD2 3.42Å; S707-D709 PolarHBondContact O-N 2.95Å; S707-D709 PolarHBondContact OG-OD2 3.39Å; D709-Y711 VanDerWaalsContact C-N 3.32Å
710S95.3Very high94.8Very high19 Ų1935.4 Ų35.413%0.13319%0.193CC..G310 helixtrans-78.1-17.7174.3-560000112.9S707 V708 I713 G732S707-S710 WeakPolarHBondContact O-CB 3.49Å; S707-S710 PolarHBondContact O-N 3.48Å; S707-S710 PolarHBondContact O-OG 3.11Å; S707-S710 PolarHBondContact OG-OG 2.88Å; V708-S710 PolarHBondContact O-N 3.4Å; V708-S710 VanDerWaalsContact O-N 3.07Å; S710-I713 WeakPolarHBondContact O-CD1 3.47Å; S710-G732 PolarHBondContact O-N 3.11Å
711Y97.4Very high94.6Very high2 Ų240.1 Ų40.11%0.00823%0.226CC..  trans-85.7150.9-176.5-69.4-89.9000111.5L642 N644 S647 I679 I703 L706 S707 V708 D709 I713L642-Y711 HydrophobicContact CB-CD1 4.45Å; L642-Y711 HydrophobicContact CB-CE1 4.4Å; N644-Y711 HydrophobicContact CB-CD1 4.37Å; N644-Y711 HydrophobicContact CB-CG 3.99Å; S647-Y711 WeakPolarHBondContact CB-O 3.41Å; S647-Y711 PolarHBondContact OG-O 2.94Å; I679-Y711 HydrophobicContact CD1-CD1 3.81Å; I679-Y711 HydrophobicContact CD1-CE1 3.28Å; I679-Y711 HydrophobicContact CD1-CE2 4.08Å; I679-Y711 HydrophobicContact CD1-CG 4.41Å; I679-Y711 VanDerWaalsContact CD1-CZ 3.44Å; I679-Y711 HydrophobicContact CG1-CD1 4.29Å; I679-Y711 HydrophobicContact CG1-CE1 4.11Å; I703-Y711 PolarHBondContact O-OH 3.14Å; L706-Y711 HydrophobicContact CB-CE2 3.97Å; S707-Y711 VanDerWaalsContact O-CD2 3.27Å; S707-Y711 WeakPolarHBondContact O-CD2 3.21Å; S707-Y711 WeakPolarHBondContact O-CE2 3.44Å; V708-Y711 WeakPolarHBondContact O-CB 3.14Å; V708-Y711 WeakPolarHBondContact O-CD2 3.37Å; V708-Y711 PolarHBondContact O-N 3.31Å; D709-Y711 VanDerWaalsContact C-N 3.32Å; Y711-I713 HydrophobicContact CD1-CB 4.48Å; Y711-I713 HydrophobicContact CD1-CG1 3.71Å; Y711-I713 HydrophobicContact CE1-CG1 3.66Å; Y711-I713 HydrophobicContact CG-CG1 4.43Å
712P97.8Very high94.5Very high0 Ų034.7 Ų34.70%022%0.22CC..SBendcis-78.4165.76.931.9-33.1000112.1Y641 L642 C650 F653 M731 G732Y641-P712 HydrophobicContact CE2-CB 3.55Å; Y641-P712 HydrophobicContact CE2-CG 3.96Å; Y641-P712 VanDerWaalsContact OH-CB 3.28Å; Y641-P712 WeakPolarHBondContact OH-CB 3.26Å; L642-P712 WeakPolarHBondContact O-CA 3.37Å; L642-P712 VanDerWaalsContact O-CB 3.23Å; L642-P712 WeakPolarHBondContact O-CB 3.18Å; C650-P712 VanDerWaalsContact SG-CD 3.58Å; F653-P712 HydrophobicContact CB-CG 3.6Å; F653-P712 HydrophobicContact CD1-CG 3.58Å; F653-P712 HydrophobicContact CD2-CG 4.19Å; F653-P712 HydrophobicContact CE1-CG 4.29Å; F653-P712 HydrophobicContact CG-CG 3.52Å; P712-M731 CarbonylContact O-C 3.59Å; P712-G732 PolarHBondContact O-N 2.86Å
713I97.1Very high94.5Very high1 Ų139.5 Ų39.51%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-114.6125.8176-63.3-63.9000108.7Y641 L642 L706 S710 Y711 A715 I729 V730 M731Y641-I713 CarbonylContact C-O 3.53Å; Y641-I713 WeakPolarHBondContact CA-O 3.38Å; L642-I713 HydrophobicContact CB-CB 4.18Å; L642-I713 HydrophobicContact CD1-CB 4.31Å; L642-I713 HydrophobicContact CD1-CG2 4.44Å; L642-I713 HydrophobicContact CG-CB 4.43Å; L642-I713 PolarHBondContact N-O 3.15Å; L642-I713 PolarHBondContact O-N 2.91Å; L706-I713 HydrophobicContact CD1-CD1 3.65Å; L706-I713 HydrophobicContact CD1-CG1 4.04Å; S710-I713 WeakPolarHBondContact O-CD1 3.47Å; Y711-I713 HydrophobicContact CD1-CB 4.48Å; Y711-I713 HydrophobicContact CD1-CG1 3.71Å; Y711-I713 HydrophobicContact CE1-CG1 3.66Å; Y711-I713 HydrophobicContact CG-CG1 4.43Å; I713-A715 HydrophobicContact CG2-CB 4.29Å; I713-I729 HydrophobicContact CD1-CG2 4.17Å; I713-I729 HydrophobicContact CG2-CG2 4.04Å; I713-V730 WeakPolarHBondContact CA-O 3.37Å; I713-M731 HydrophobicContact CD1-CB 4.22Å; I713-M731 HydrophobicContact CD1-CG 3.82Å
714L98Very high94.6Very high1 Ų141.6 Ų41.61%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-111.8106166.1-17967.4000108F639 I640 Y641 F653 L663 L674 V730 L792F639-L714 HydrophobicContact CB-CD1 4.3Å; F639-L714 HydrophobicContact CD1-CD1 3.94Å; F639-L714 HydrophobicContact CD1-CD2 4.45Å; F639-L714 HydrophobicContact CD1-CG 4.11Å; I640-L714 CarbonylContact O-C 3.6Å; I640-L714 WeakPolarHBondContact O-CA 3.29Å; Y641-L714 HydrophobicContact CD2-CD1 4.47Å; F653-L714 HydrophobicContact CZ-CB 4.21Å; L663-L714 HydrophobicContact CD2-CD2 4.24Å; L674-L714 HydrophobicContact CD1-CD1 3.57Å; L714-V730 HydrophobicContact CB-CB 4.24Å; L714-V730 PolarHBondContact N-O 3.28Å; L714-V730 PolarHBondContact O-N 2.89Å; L714-L792 HydrophobicContact CD2-CD1 4.19Å
715A97.5Very high94.5Very high1 Ų140.8 Ų40.81%0.00824%0.243CC..EExtended strand (participates in β ladder)trans-106.6138-178.700000111.1F639 I640 L699 I713 I717 C728 I729F639-A715 CarbonylContact C-O 3.44Å; F639-A715 WeakPolarHBondContact CA-O 3.27Å; I640-A715 PolarHBondContact N-O 3.31Å; I640-A715 PolarHBondContact O-N 2.62Å; L699-A715 HydrophobicContact CD1-CB 4.19Å; I713-A715 HydrophobicContact CG2-CB 4.29Å; A715-I717 HydrophobicContact CB-CD1 4.3Å; A715-C728 WeakPolarHBondContact CA-O 3.08Å; A715-I729 HydrophobicContact CB-CG1 4.15Å
716M97.6Very high94.6Very high0 Ų036.7 Ų36.70%021%0.214CC..EExtended strand (participates in β ladder)trans-99.3120171.3-176.9-164.4-74.600109.2P637 F639 V718 L727 C728 L792 A795P637-M716 HydrophobicContact CB-CG 3.56Å; P637-M716 HydrophobicContact CB-SD 4.11Å; P637-M716 HydrophobicContact CG-CG 4.3Å; P637-M716 HydrophobicContact CG-SD 4.2Å; F639-M716 HydrophobicContact CE1-CB 4.19Å; F639-M716 HydrophobicContact CE1-CE 4.12Å; F639-M716 HydrophobicContact CE1-CG 4.46Å; F639-M716 HydrophobicContact CE2-CE 4.25Å; F639-M716 HydrophobicContact CE2-CG 4.39Å; F639-M716 HydrophobicContact CZ-CB 4.41Å; F639-M716 HydrophobicContact CZ-CE 3.5Å; F639-M716 HydrophobicContact CZ-CG 4.18Å; M716-V718 HydrophobicContact CG-CG1 4.42Å; M716-V718 HydrophobicContact SD-CG1 4.43Å; M716-L727 PolarHBondContact O-N 3.04Å; M716-L727 HydrophobicContact SD-CB 4.19Å; M716-L727 HydrophobicContact SD-CD2 3.59Å; M716-L727 VanDerWaalsContact SD-CD2 3.59Å; M716-L727 HydrophobicContact SD-CG 4.49Å; M716-C728 HydrophobicContact CB-CB 4.42Å; M716-C728 WeakPolarHBondContact CB-SG 3.27Å; M716-C728 PolarHBondContact N-O 2.96Å; M716-L792 HydrophobicContact CE-CD2 4.4Å; M716-L792 WeakPolarHBondContact CE-O 3.32Å; M716-A795 HydrophobicContact CE-CB 3.92Å; M716-A795 HydrophobicContact SD-CB 4.18Å
717I97.3Very high94.7Very high0 Ų035.6 Ų35.60%021%0.208CC..EExtended strand (participates in β ladder)trans-107.6134.2179.8-49.9-54.3000109.3V627 P637 L638 I640 L696 L699 A715 E725 V726V627-I717 WeakPolarHBondContact CG1-O 3.41Å; P637-I717 CarbonylContact C-O 3.49Å; P637-I717 VanDerWaalsContact CA-O 3.23Å; P637-I717 WeakPolarHBondContact CA-O 3.41Å; L638-I717 HydrophobicContact CB-CB 4.33Å; L638-I717 PolarHBondContact N-O 2.67Å; L638-I717 WeakPolarHBondContact O-CB 3.28Å; L638-I717 PolarHBondContact O-N 2.78Å; I640-I717 HydrophobicContact CD1-CD1 4.24Å; I640-I717 HydrophobicContact CD1-CG1 3.6Å; I640-I717 HydrophobicContact CG1-CG1 4.01Å; L696-I717 HydrophobicContact CD1-CD1 3.95Å; L696-I717 HydrophobicContact CD1-CG1 4.05Å; L696-I717 HydrophobicContact CD1-CG2 4.21Å; L696-I717 HydrophobicContact CD2-CD1 4.45Å; L696-I717 HydrophobicContact CD2-CG2 3.67Å; L699-I717 HydrophobicContact CD2-CD1 4.04Å; A715-I717 HydrophobicContact CB-CD1 4.3Å; I717-E725 WeakPolarHBondContact CA-O 3.47Å; I717-V726 HydrophobicContact CD1-CB 4.31Å; I717-V726 HydrophobicContact CD1-CG1 4.16Å; I717-V726 HydrophobicContact CD1-CG2 3.92Å
718V96.5Very high94.7Very high0 Ų032.8 Ų32.80%019%0.189CC..EExtended strand (participates in β ladder)trans-130.8166.5-178.7-63.70000111P637 M716 L720 L724 E725 L727 Y799P637-V718 HydrophobicContact CB-CG1 4.05Å; P637-V718 HydrophobicContact CG-CG1 4.12Å; M716-V718 HydrophobicContact CG-CG1 4.42Å; M716-V718 HydrophobicContact SD-CG1 4.43Å; V718-L720 HydrophobicContact CG2-CD1 4.25Å; V718-L720 HydrophobicContact CG2-CG 4.34Å; V718-L724 WeakPolarHBondContact O-CA 3.36Å; V718-E725 HydrophobicContact CG2-CB 4.42Å; V718-E725 PolarHBondContact N-O 3.18Å; V718-E725 PolarHBondContact O-N 3.5Å; V718-L727 HydrophobicContact CG1-CB 4.19Å; V718-L727 HydrophobicContact CG1-CD2 4.25Å; V718-L727 HydrophobicContact CG2-CB 4.08Å; V718-L727 HydrophobicContact CG2-CD1 4.3Å; V718-Y799 HydrophobicContact CB-CD2 3.62Å; V718-Y799 HydrophobicContact CB-CE2 3.6Å; V718-Y799 HydrophobicContact CB-CG 4.32Å; V718-Y799 HydrophobicContact CG1-CD1 4.22Å; V718-Y799 HydrophobicContact CG1-CD2 3.58Å; V718-Y799 HydrophobicContact CG1-CE1 4.48Å; V718-Y799 HydrophobicContact CG1-CE2 3.89Å; V718-Y799 HydrophobicContact CG1-CG 3.76Å; V718-Y799 HydrophobicContact CG2-CD2 4.13Å; V718-Y799 HydrophobicContact CG2-CE2 4.41Å
719K95.4Very high94.8Very high52 Ų5230.2 Ų30.223%0.22617%0.173CC..EExtended strand (participates in β ladder)trans-121.6111.9172.7-172.3179.2-176179.90111.1V627 G722 Q723 L724V627-K719 HydrophobicContact CB-CB 4.03Å; V627-K719 WeakPolarHBondContact O-CB 3.28Å; V627-K719 WeakPolarHBondContact O-CD 3.45Å; K719-G722 WeakPolarHBondContact CE-O 3.39Å; K719-Q723 CarbonylContact C-O 3.59Å; K719-Q723 VanDerWaalsContact CA-O 3.26Å; K719-Q723 WeakPolarHBondContact CA-O 3.48Å; K719-L724 HydrophobicContact CB-CD2 4.02Å; K719-L724 HydrophobicContact CD-CD2 4.46Å; K719-L724 HydrophobicContact CG-CD2 4.23Å
720L92.1Very high95Very high31 Ų3125 Ų2516%0.16215%0.145CC..EExtended strand (participates in β ladder)trans-126.3135.7-179.6-68173.4000109.8V718 G722 Q723 Y799 L802 L803V718-L720 HydrophobicContact CG2-CD1 4.25Å; V718-L720 HydrophobicContact CG2-CG 4.34Å; L720-G722 PolarHBondContact O-N 3.38Å; L720-G722 VanDerWaalsContact O-N 3.11Å; L720-Q723 PolarHBondContact N-O 3.3Å; L720-Q723 PolarHBondContact O-N 3.24Å; L720-Y799 HydrophobicContact CD1-CD2 4.47Å; L720-Y799 HydrophobicContact CD2-CD2 3.94Å; L720-Y799 HydrophobicContact CD2-CE2 3.85Å; L720-Y799 HydrophobicContact CG-CD2 4.24Å; L720-Y799 HydrophobicContact CG-CE2 4.23Å; L720-L802 HydrophobicContact CD1-CB 3.98Å; L720-L802 HydrophobicContact CD1-CD1 3.96Å; L720-L802 HydrophobicContact CD2-CB 3.97Å; L720-L803 HydrophobicContact CD2-CB 4.35Å; L720-L803 HydrophobicContact CD2-CD1 4.17Å
721S89.6Confident95Very high105 Ų10524.6 Ų24.673%0.73414%0.142SC*.THydrogen-bonded Turntrans4837-175.6-63.90000113.5Q723 E806S721-Q723 VanDerWaalsContact C-N 3.26Å; S721-Q723 PolarHBondContact O-N 3.13Å; S721-E806 PolarHBondContact N-OE1 3.1Å
722G89.3Confident95Very high47 Ų4724.5 Ų24.549%0.48514%0.141SC..THydrogen-bonded Turntrans79.6-10.1-177.300000116.1K719 L720K719-G722 WeakPolarHBondContact CE-O 3.39Å; L720-G722 PolarHBondContact O-N 3.38Å; L720-G722 VanDerWaalsContact O-N 3.11Å
723Q91.8Very high94.7Very high133 Ų13327.6 Ų27.662%0.62116%0.16SC*.EExtended strand (participates in β ladder)trans-96.8150.3-178.3-57.9-173.111.700111.3K719 L720 S721K719-Q723 CarbonylContact C-O 3.59Å; K719-Q723 VanDerWaalsContact CA-O 3.26Å; K719-Q723 WeakPolarHBondContact CA-O 3.48Å; L720-Q723 PolarHBondContact N-O 3.3Å; L720-Q723 PolarHBondContact O-N 3.24Å; S721-Q723 VanDerWaalsContact C-N 3.26Å; S721-Q723 PolarHBondContact O-N 3.13Å
724L94.7Very high94.6Very high44 Ų4427.7 Ų27.723%0.2316%0.162CC..EExtended strand (participates in β ladder)trans-89.2125.9173.7-66.1177000109.7L623 V627 L696 V718 K719L623-L724 HydrophobicContact CD1-CD1 4.04Å; L623-L724 HydrophobicContact CD2-CD1 3.9Å; L623-L724 HydrophobicContact CD2-CD2 4.28Å; V627-L724 HydrophobicContact CB-CD2 4.35Å; V627-L724 HydrophobicContact CG2-CD2 3.68Å; L696-L724 HydrophobicContact CD2-CB 3.66Å; L696-L724 HydrophobicContact CD2-CD1 4.28Å; V718-L724 WeakPolarHBondContact O-CA 3.36Å; K719-L724 HydrophobicContact CB-CD2 4.02Å; K719-L724 HydrophobicContact CD-CD2 4.46Å; K719-L724 HydrophobicContact CG-CD2 4.23Å
725E92.4Very high94.4Very high70 Ų7029.4 Ų29.433%0.32717%0.17SC..EExtended strand (participates in β ladder)trans-129.1154.7179.5-78.6-66.9-172.400112.8N698 I717 V718N698-E725 PolarHBondContact ND2-OE1 2.84Å; N698-E725 PolarHBondContact ND2-OE2 3.15Å; I717-E725 WeakPolarHBondContact CA-O 3.47Å; V718-E725 HydrophobicContact CG2-CB 4.42Å; V718-E725 PolarHBondContact N-O 3.18Å; V718-E725 PolarHBondContact O-N 3.5Å
726V94Very high94.3Very high8 Ų830.5 Ų30.55%0.04818%0.177CC..EExtended strand (participates in β ladder)trans-93.6109.6175.5-171.20000108L699 I717 I729 W739L699-V726 HydrophobicContact CB-CG2 3.72Å; L699-V726 HydrophobicContact CD1-CG1 4.22Å; L699-V726 HydrophobicContact CD1-CG2 4.1Å; L699-V726 HydrophobicContact CG-CG2 4.36Å; I717-V726 HydrophobicContact CD1-CB 4.31Å; I717-V726 HydrophobicContact CD1-CG1 4.16Å; I717-V726 HydrophobicContact CD1-CG2 3.92Å; V726-I729 HydrophobicContact CG1-CD1 4.02Å; V726-I729 HydrophobicContact CG1-CG1 3.72Å; V726-W739 WeakPolarHBondContact O-CB 3.37Å
727L93.8Very high94Very high6 Ų634.8 Ų34.83%0.03120%0.195CC..EExtended strand (participates in β ladder)trans-83.9-44.4-177-162.777.7000111.9M716 V718 M738 W739 A795M716-L727 PolarHBondContact O-N 3.04Å; M716-L727 HydrophobicContact SD-CB 4.19Å; M716-L727 HydrophobicContact SD-CD2 3.59Å; M716-L727 VanDerWaalsContact SD-CD2 3.59Å; M716-L727 HydrophobicContact SD-CG 4.49Å; V718-L727 HydrophobicContact CG1-CB 4.19Å; V718-L727 HydrophobicContact CG1-CD2 4.25Å; V718-L727 HydrophobicContact CG2-CB 4.08Å; V718-L727 HydrophobicContact CG2-CD1 4.3Å; L727-M738 HydrophobicContact CG-CE 4.16Å; L727-M738 WeakPolarHBondContact O-CE 3.43Å; L727-W739 WeakPolarHBondContact CD1-O 3.42Å; L727-W739 PolarHBondContact O-N 3.34Å; L727-A795 HydrophobicContact CD2-CB 4.17Å; L727-A795 WeakPolarHBondContact CD2-O 3.32Å
728C94.7Very high93.5Very high0 Ų036.9 Ų36.90%021%0.206CC..EExtended strand (participates in β ladder)trans-137.6154.6175.786.60000112.4A715 M716 K737 M738 L792 A795A715-C728 WeakPolarHBondContact CA-O 3.08Å; M716-C728 HydrophobicContact CB-CB 4.42Å; M716-C728 WeakPolarHBondContact CB-SG 3.27Å; M716-C728 PolarHBondContact N-O 2.96Å; C728-K737 CarbonylContact C-O 3.57Å; C728-K737 VanDerWaalsContact CA-O 3.31Å; C728-K737 WeakPolarHBondContact CA-O 3.4Å; C728-M738 HydrophobicContact CB-CE 3.81Å; C728-L792 WeakPolarHBondContact SG-CD2 3.36Å; C728-A795 HydrophobicContact CB-CB 4.17Å
729I95.9Very high92.5Very high4 Ų442.4 Ų42.42%0.02123%0.227CC..EExtended strand (participates in β ladder)trans-131.8120.1166.6-68.8178.6000108.2L699 I702 I713 A715 V726 M731 V736 K737L699-I729 HydrophobicContact CD1-CD1 3.92Å; I702-I729 HydrophobicContact CD1-CD1 3.78Å; I702-I729 HydrophobicContact CG2-CD1 3.9Å; I713-I729 HydrophobicContact CD1-CG2 4.17Å; I713-I729 HydrophobicContact CG2-CG2 4.04Å; A715-I729 HydrophobicContact CB-CG1 4.15Å; V726-I729 HydrophobicContact CG1-CD1 4.02Å; V726-I729 HydrophobicContact CG1-CG1 3.72Å; I729-M731 HydrophobicContact CG2-CG 3.94Å; I729-V736 CarbonylContact O-C 3.56Å; I729-V736 WeakPolarHBondContact O-CA 3.13Å; I729-K737 PolarHBondContact N-O 3.35Å; I729-K737 PolarHBondContact O-N 3.31Å
730V96.9Very high91.1Very high0 Ų043 Ų430%024%0.236CC..EExtended strand (participates in β ladder)trans-94.1130.9163.8-167.70000108.1F653 I713 L714 V736 I788 L792F653-V730 HydrophobicContact CE2-CG1 3.9Å; F653-V730 HydrophobicContact CZ-CG1 4.26Å; I713-V730 WeakPolarHBondContact CA-O 3.37Å; L714-V730 HydrophobicContact CB-CB 4.24Å; L714-V730 PolarHBondContact N-O 3.28Å; L714-V730 PolarHBondContact O-N 2.89Å; V730-V736 HydrophobicContact CG1-CG2 4.28Å; V730-V736 HydrophobicContact CG2-CG1 4.39Å; V730-V736 HydrophobicContact CG2-CG2 4.16Å; V730-I788 HydrophobicContact CG1-CD1 3.88Å; V730-I788 HydrophobicContact CG1-CG2 4.21Å; V730-I788 HydrophobicContact CG2-CG2 4.2Å; V730-L792 HydrophobicContact CG2-CD2 3.94Å; V730-L792 HydrophobicContact CG2-CG 4.46Å
731M96.2Very high89.3Confident12 Ų1244.3 Ų44.36%0.05925%0.246CC..EExtended strand (participates in β ladder)trans-103.8161.7177.9-56.6-172.8-55.600111.2L706 P712 I713 I729 T733 G734 I735 K737L706-M731 HydrophobicContact CD2-SD 4.42Å; P712-M731 CarbonylContact O-C 3.59Å; I713-M731 HydrophobicContact CD1-CB 4.22Å; I713-M731 HydrophobicContact CD1-CG 3.82Å; I729-M731 HydrophobicContact CG2-CG 3.94Å; M731-T733 PolarHBondContact O-N 3.23Å; M731-G734 PolarHBondContact O-N 3.07Å; M731-I735 HydrophobicContact CE-CB 3.61Å; M731-I735 HydrophobicContact CE-CD1 4.09Å; M731-I735 HydrophobicContact CE-CG1 4.4Å; M731-I735 HydrophobicContact CE-CG2 3.64Å; M731-I735 PolarHBondContact N-O 3.23Å; M731-K737 HydrophobicContact CE-CD 4.31Å; M731-K737 HydrophobicContact SD-CD 4.25Å; M731-K737 PolarHBondContact SD-NZ 2.91Å; M731-K737 VanDerWaalsContact SD-NZ 3.39Å
732G95.5Very high87.5Confident0 Ų044 Ų440%024%0.24CC..THydrogen-bonded Turntrans-59.7-20.6-177.900000115.1S710 P712 G734S710-G732 PolarHBondContact O-N 3.11Å; P712-G732 PolarHBondContact O-N 2.86Å; G732-G734 PolarHBondContact O-N 3.24Å
733T93.4Very high85.4Confident64 Ų6448.9 Ų48.939%0.39326%0.255SS..THydrogen-bonded Turntrans-75.90.1171.652.60000114.2M731 I735 G781M731-T733 PolarHBondContact O-N 3.23Å; T733-I735 PolarHBondContact O-N 2.91Å; T733-I735 WeakPolarHBondContact OG1-CG1 3.23Å; T733-G781 CarbonylContact O-C 3.57Å; T733-G781 WeakPolarHBondContact O-CA 3.31Å
734G93.9Very high82.6Confident4 Ų449.9 Ų49.94%0.04126%0.259CS..SBendtrans73.512.6-173.600000114M731 G732 G781 S782M731-G734 PolarHBondContact O-N 3.07Å; G732-G734 PolarHBondContact O-N 3.24Å; G734-G781 VanDerWaalsContact C-CA 3.42Å; G734-G781 CarbonylContact O-C 3.57Å; G734-G781 VanDerWaalsContact O-CA 3.27Å; G734-G781 WeakPolarHBondContact O-CA 3.31Å; G734-S782 PolarHBondContact O-N 3.2Å
735I94.6Very high79.6Confident36 Ų3651 Ų5119%0.18526%0.262CS..  trans-82.5126.5174-62.8174.3000108.8M731 T733 K737 S779M731-I735 HydrophobicContact CE-CB 3.61Å; M731-I735 HydrophobicContact CE-CD1 4.09Å; M731-I735 HydrophobicContact CE-CG1 4.4Å; M731-I735 HydrophobicContact CE-CG2 3.64Å; M731-I735 PolarHBondContact N-O 3.23Å; T733-I735 PolarHBondContact O-N 2.91Å; T733-I735 WeakPolarHBondContact OG1-CG1 3.23Å; I735-K737 HydrophobicContact CG2-CG 4.47Å; I735-S779 WeakPolarHBondContact CD1-O 3.49Å
736V93.6Very high76.6Confident24 Ų2452.3 Ų52.315%0.14528%0.277CS..EExtended strand (participates in β ladder)trans-97.7137.5171.2-169.40000109.8I729 V730 I788 E791I729-V736 CarbonylContact O-C 3.56Å; I729-V736 WeakPolarHBondContact O-CA 3.13Å; V730-V736 HydrophobicContact CG1-CG2 4.28Å; V730-V736 HydrophobicContact CG2-CG1 4.39Å; V730-V736 HydrophobicContact CG2-CG2 4.16Å; V736-I788 HydrophobicContact CG2-CD1 3.9Å; V736-E791 HydrophobicContact CB-CB 4.41Å; V736-E791 HydrophobicContact CG1-CB 4.23Å; V736-E791 HydrophobicContact CG2-CB 3.97Å; V736-E791 HydrophobicContact CG2-CG 4.06Å
737K91.5Very high73.7Confident91 Ų9158 Ų5840%0.39631%0.314SS..EExtended strand (participates in β ladder)trans-121.2118.4173.3-71.5175.1178165.30109.3C728 I729 M731 I735C728-K737 CarbonylContact C-O 3.57Å; C728-K737 VanDerWaalsContact CA-O 3.31Å; C728-K737 WeakPolarHBondContact CA-O 3.4Å; I729-K737 PolarHBondContact N-O 3.35Å; I729-K737 PolarHBondContact O-N 3.31Å; M731-K737 HydrophobicContact CE-CD 4.31Å; M731-K737 HydrophobicContact SD-CD 4.25Å; M731-K737 PolarHBondContact SD-NZ 2.91Å; M731-K737 VanDerWaalsContact SD-NZ 3.39Å; I735-K737 HydrophobicContact CG2-CG 4.47Å
738M86.7Confident70.7Confident43 Ų4362.3 Ų62.321%0.21234%0.337CS..EExtended strand (participates in β ladder)trans-97.4144.4180-73.8-102.449.500111.6L727 C728 A795L727-M738 HydrophobicContact CG-CE 4.16Å; L727-M738 WeakPolarHBondContact O-CE 3.43Å; C728-M738 HydrophobicContact CB-CE 3.81Å; M738-A795 HydrophobicContact CE-CB 3.47Å; M738-A795 VanDerWaalsContact CE-CB 3.47Å; M738-A795 HydrophobicContact SD-CB 3.77Å
739W76.1Confident67.8Low117 Ų11769 Ų6944%0.44337%0.371SS..SBendtrans-134.2138.3177-72.387.5000111.1V726 L727 P741V726-W739 WeakPolarHBondContact O-CB 3.37Å; L727-W739 WeakPolarHBondContact CD1-O 3.42Å; L727-W739 PolarHBondContact O-N 3.34Å; W739-P741 HydrophobicContact CE3-CG 4.42Å; W739-P741 HydrophobicContact CZ3-CG 4.42Å
740P65.5Low64.5Low65 Ų6576.6 Ų76.642%0.42241%0.412SS..SBendcis-62.9155.2-9.930.1-36.2000111.5T742 F745P740-T742 PolarHBondContact O-N 3.16Å; P740-F745 HydrophobicContact CG-CE2 4.13Å
741P55.8Low61.4Low58 Ų5881.4 Ų81.438%0.37744%0.441SS..  trans-54136.9175-26.635.8000111.5W739 D743 H744W739-P741 HydrophobicContact CE3-CG 4.42Å; W739-P741 HydrophobicContact CZ3-CG 4.42Å; P741-D743 PolarHBondContact O-N 3.43Å; P741-H744 PolarHBondContact O-N 3.32Å; P741-H744 VanDerWaalsContact O-N 3.17Å
742T51.1Low57.9Low99 Ų9992.1 Ų92.161%0.60748%0.481SS*.G310 helixtrans-59.1-21.7-166.8-32.60000113.8P740 H744 F745P740-T742 PolarHBondContact O-N 3.16Å; T742-H744 PolarHBondContact O-N 3.04Å; T742-F745 PolarHBondContact O-N 2.84Å; T742-F745 VanDerWaalsContact O-N 3.1Å
743D45.8Very low54.7Low148 Ų148103.4 Ų103.479%0.79152%0.524SS*.G310 helixtrans-58.9-5.5175.1-57.7-44000115P741P741-D743 PolarHBondContact O-N 3.43Å
744H31.8Very low51.6Low155 Ų155105.5 Ų105.572%0.71854%0.541SS*.G310 helixtrans-112.50.6177.7-70.4-0.3000114.7P741 T742 P746P741-H744 PolarHBondContact O-N 3.32Å; P741-H744 VanDerWaalsContact O-N 3.17Å; T742-H744 PolarHBondContact O-N 3.04Å; H744-P746 VanDerWaalsContact O-CD 3.31Å; H744-P746 WeakPolarHBondContact O-CD 3.49Å
745F32.6Very low48.5Very low67 Ų67111 Ų11129%0.29458%0.579SS.*  trans-87.7112.1164.1-89.8-90.5000110.2P740 T742 L748 T798 L802P740-F745 HydrophobicContact CG-CE2 4.13Å; T742-F745 PolarHBondContact O-N 2.84Å; T742-F745 VanDerWaalsContact O-N 3.1Å; F745-L748 HydrophobicContact CD1-CD1 4.08Å; F745-L748 HydrophobicContact CD1-CG 4.13Å; F745-L748 HydrophobicContact CE1-CD1 3.82Å; F745-L748 HydrophobicContact CE1-CG 4.37Å; F745-T798 HydrophobicContact CE2-CG2 4.11Å; F745-T798 HydrophobicContact CZ-CG2 3.76Å; F745-L802 HydrophobicContact CZ-CD1 4.4Å; F745-L802 HydrophobicContact CZ-CD2 4.21Å; F745-L802 HydrophobicContact CZ-CG 4.45Å
746P29.6Very low45.7Very low98 Ų98114.8 Ų114.864%0.63661%0.609SS**  trans-60.3137.4153.929.2-32.5000107.2H744 L748H744-P746 VanDerWaalsContact O-CD 3.31Å; H744-P746 WeakPolarHBondContact O-CD 3.49Å; P746-L748 PolarHBondContact O-N 3.23Å
747P32.3Very low42.6Very low126 Ų126118.2 Ų118.282%0.81863%0.633SS**  trans-58.8109.4-169.621.8-33.4000110.5L749P747-L749 PolarHBondContact O-N 3.44Å
748L31.4Very low39.7Very low98 Ų98119.2 Ų119.251%0.51365%0.652SS.*  trans-64.1124.4-177.7-79.1-177.1000109.3F745 P746F745-L748 HydrophobicContact CD1-CD1 4.08Å; F745-L748 HydrophobicContact CD1-CG 4.13Å; F745-L748 HydrophobicContact CE1-CD1 3.82Å; F745-L748 HydrophobicContact CE1-CG 4.37Å; P746-L748 PolarHBondContact O-N 3.23Å
749L33.4Very low37Very low139 Ų139124.5 Ų124.573%0.72868%0.676SS**  trans47.998.5169.2-55.2177.8000114.2P747 V751P747-L749 PolarHBondContact O-N 3.44Å; L749-V751 HydrophobicContact CB-CG2 3.55Å; L749-V751 HydrophobicContact CD1-CG2 4.33Å; L749-V751 PolarHBondContact O-N 2.9Å
750N27Very low34.6Very low164 Ų164128.4 Ų128.488%0.87770%0.696SS**  trans-63.569.9145.9-162.312.9000108.6R752N750-R752 PolarHBondContact O-N 2.69Å; N750-R752 VanDerWaalsContact O-N 3.08Å
751V30.8Very low32.6Very low101 Ų101131.4 Ų131.461%0.61271%0.713SS**  trans-56.3116.4179.2176.60000106.1L749 R753L749-V751 HydrophobicContact CB-CG2 3.55Å; L749-V751 HydrophobicContact CD1-CG2 4.33Å; L749-V751 PolarHBondContact O-N 2.9Å; V751-R753 VanDerWaalsContact C-N 3.29Å; V751-R753 PolarHBondContact O-N 3.07Å
752R23.7Very low31.3Very low237 Ų237134.5 Ų134.589%0.89473%0.732SS**  trans-60.892.7176.3-74.7174.8168.3159.4-4.9108.8N750 S754N750-R752 PolarHBondContact O-N 2.69Å; N750-R752 VanDerWaalsContact O-N 3.08Å; R752-S754 PolarHBondContact O-N 3.18Å
753R27.9Very low30.2Very low238 Ų238134.8 Ų134.890%0.89874%0.738SS**  trans-56.3107.3158.6-70.4-170.9-178-128.40.2105.9V751 S755V751-R753 VanDerWaalsContact C-N 3.29Å; V751-R753 PolarHBondContact O-N 3.07Å; R753-S755 PolarHBondContact O-N 3.04Å; R753-S755 VanDerWaalsContact O-N 3.15Å
754S28.9Very low29.4Very low108 Ų108136.6 Ų136.676%0.75575%0.746SS**  trans-56.4118.6-178.432.90000108.4R752 S756R752-S754 PolarHBondContact O-N 3.18Å; S754-S756 PolarHBondContact O-N 3.41Å
755S29.1Very low29.2Very low119 Ų119137.3 Ų137.383%0.83275%0.75SS**  trans-77.382.5-16356.20000112.5R753 S757R753-S755 PolarHBondContact O-N 3.04Å; R753-S755 VanDerWaalsContact O-N 3.15Å; S755-S757 PolarHBondContact O-N 3.47Å
756S34.4Very low28.8Very low116 Ų116139.6 Ų139.681%0.81177%0.774SS**  trans-70.8107.315755.70000108.6S754 S758S754-S756 PolarHBondContact O-N 3.41Å; S756-S758 PolarHBondContact O-N 3.09Å
757S29.4Very low28.9Very low95 Ų95143.1 Ų143.166%0.66478%0.784SS**  trans-66.1129-171.2-178.70000113.8S755S755-S757 PolarHBondContact O-N 3.47Å
758S31.6Very low28.7Very low112 Ų112146 Ų14678%0.78378%0.784SS**  trans-142.5136.3140.365.20000109.4S756S756-S758 PolarHBondContact O-N 3.09Å
759H28.4Very low28.4Very low154 Ų154148.5 Ų148.571%0.71380%0.797SS**  trans-85.7122.1-171.4-69.2-112.7000111.4
760F27.2Very low28.3Very low200 Ų200149.3 Ų149.388%0.87780%0.803SS**  trans-131.195.2153.6-106.2-86.7000110.2
761T23.5Very low28.5Very low127 Ų127148.1 Ų148.178%0.77980%0.796SS**  trans-94.8105.5174.251.90000109.6
762T28.5Very low28.5Very low124 Ų124151.6 Ų151.676%0.76181%0.811SS**  trans-129.499.6169.8-55.50000109.7
763S27.5Very low28.8Very low105 Ų105144.8 Ų144.873%0.73480%0.8SS**  trans1.5107167.7-53.80000118.2Q765S763-Q765 VanDerWaalsContact C-N 3.29Å; S763-Q765 PolarHBondContact O-N 3.42Å
764L28.1Very low29.1Very low186 Ų186139.6 Ų139.697%0.97480%0.8SS**  trans-63.291.9149.4-85.7162.9000108.7
765Q28Very low29.4Very low170 Ų170139.3 Ų139.379%0.79480%0.799SS**  trans-89.5111.7177.1-158.7167.327.300109.5S763 M767S763-Q765 VanDerWaalsContact C-N 3.29Å; S763-Q765 PolarHBondContact O-N 3.42Å; Q765-M767 PolarHBondContact O-N 3.26Å
766S24.9Very low29.9Very low114 Ų114138.3 Ų138.380%0.79780%0.798SS**  trans-65.7121.7178.2177.30000111.1
767M30.3Very low30Very low173 Ų173136.3 Ų136.385%0.85280%0.795SS**  trans-132.1112.4157.4-75.4-148.1164.500110.7Q765Q765-M767 PolarHBondContact O-N 3.26Å
768K27.8Very low30.7Very low187 Ų187135.3 Ų135.381%0.81380%0.8SS**  trans24.2126.5149.6-77.1-177.1165.4-168.70120.1
769N26.4Very low32Very low149 Ų149133.4 Ų133.480%0.79779%0.787SS**  trans-17.9138.9133.4-33.7-3.3000114.5
770D31.5Very low34.2Very low156 Ų156132 Ų13283%0.83479%0.793SS**  trans-144.6143.9133.5-87.4-38.4000109.8
771D30.9Very low37Very low139 Ų139123.8 Ų123.874%0.74376%0.764SS**  trans0.1106.9174.9-60.6-23.3000122.5S773D771-S773 PolarHBondContact O-N 3.24Å
772N29.5Very low40.3Very low174 Ų174119.4 Ų119.493%0.9374%0.739SS**  19.275.8110.3-141.934.5000117.4
773S31.5Very low43.3Very low95 Ų95115.9 Ų115.966%0.66472%0.715SS**  trans-126.2136.4158.356.10000109.9D771 S775D771-S773 PolarHBondContact O-N 3.24Å; S773-S775 PolarHBondContact O-N 2.94Å
774S33Very low46.4Very low128 Ų128117.2 Ų117.290%0.89571%0.708SS**  trans-79.666.8-174.1590000111.6A776S774-A776 PolarHBondContact O-N 3.25Å
775S36.4Very low49.6Very low103 Ų103110.1 Ų110.172%0.7267%0.673SS**  trans-68.283.9168.7-68.50000109.5S773 G777S773-S775 PolarHBondContact O-N 2.94Å; S775-G777 PolarHBondContact O-N 3.37Å
776A38.2Very low52.9Low98 Ų98108.1 Ų108.181%0.8167%0.667SS**  trans-55.7109.4162.200000107.1S774 G778S774-A776 PolarHBondContact O-N 3.25Å; A776-G778 PolarHBondContact O-N 2.86Å
777G37.4Very low56.2Low74 Ų74105.5 Ų105.576%0.76365%0.646SS**  trans-60.2102.5-165.500000111.9S775 S779S775-G777 PolarHBondContact O-N 3.37Å; G777-S779 VanDerWaalsContact C-N 3.31Å; G777-S779 PolarHBondContact O-N 3.39Å
778G43.4Very low59.4Low74 Ų7497.3 Ų97.376%0.76361%0.606SS**  trans-65.792.7170.100000108.9A776 C780A776-G778 PolarHBondContact O-N 2.86Å; G778-C780 PolarHBondContact O-N 3.29Å
779S59.5Low62.7Low72 Ų7289.8 Ų89.850%0.50358%0.576SS.*  trans-60.6101.3174.1-178.30000108.4I735 G777 G781I735-S779 WeakPolarHBondContact CD1-O 3.49Å; G777-S779 VanDerWaalsContact C-N 3.31Å; G777-S779 PolarHBondContact O-N 3.39Å; S779-G781 PolarHBondContact O-N 3.42Å
780C74.6Confident66Low124 Ų12485.3 Ų85.384%0.83856%0.56SS**  trans-77.4110.3177-167.20000107.7G778G778-C780 PolarHBondContact O-N 3.29Å
781G85.9Confident69Low27 Ų2781.3 Ų81.328%0.27854%0.536SS..  trans-67.1151.7-179.500000112.6T733 G734 S779T733-G781 CarbonylContact O-C 3.57Å; T733-G781 WeakPolarHBondContact O-CA 3.31Å; G734-G781 VanDerWaalsContact C-CA 3.42Å; G734-G781 CarbonylContact O-C 3.57Å; G734-G781 VanDerWaalsContact O-CA 3.27Å; G734-G781 WeakPolarHBondContact O-CA 3.31Å; S779-G781 PolarHBondContact O-N 3.42Å
782S92Very high72.2Confident36 Ų3674.7 Ų74.725%0.25250%0.501SS..  trans-133.7106.6-175.41750000110.8G734 K784 I788G734-S782 PolarHBondContact O-N 3.2Å; S782-K784 PolarHBondContact O-N 2.85Å; S782-I788 WeakPolarHBondContact O-CD1 3.39Å
783L91.8Very high75.4Confident49 Ų4972.3 Ų72.326%0.25748%0.479SS..  trans-78.548.2172.6-65.9176000112.1V652 F653 I657V652-L783 HydrophobicContact CG1-CD1 4.01Å; F653-L783 HydrophobicContact CD2-CD2 3.83Å; I657-L783 HydrophobicContact CG1-CD2 4.02Å
784K94.3Very high78.4Confident134 Ų13472.7 Ų72.758%0.58347%0.47SS*.  trans-107123.2170.1-68.5-174.2177.1-174.80109S782 D786 V787 I788S782-K784 PolarHBondContact O-N 2.85Å; K784-D786 VanDerWaalsContact C-N 3.31Å; K784-D786 PolarHBondContact O-N 3.25Å; K784-V787 HydrophobicContact CB-CB 4.26Å; K784-V787 HydrophobicContact CB-CG2 3.88Å; K784-V787 HydrophobicContact CD-CG2 4.47Å; K784-V787 PolarHBondContact O-N 3.03Å; K784-I788 PolarHBondContact O-N 2.87Å; K784-I788 VanDerWaalsContact O-N 3.15Å
785P94.5Very high81.4Confident37 Ų3766.6 Ų66.624%0.2443%0.428CS..Hα-helixtrans-59.3-40.1-174.521.2-31.7000112.6I657 S660 V787 I788 V789I657-P785 HydrophobicContact CD1-CB 4.23Å; S660-P785 WeakPolarHBondContact OG-CB 3.33Å; P785-V787 VanDerWaalsContact C-N 3.26Å; P785-V787 PolarHBondContact O-N 2.67Å; P785-I788 PolarHBondContact O-N 3.4Å; P785-V789 WeakPolarHBondContact O-CB 3.34Å; P785-V789 VanDerWaalsContact O-CG2 3.3Å; P785-V789 WeakPolarHBondContact O-CG2 3.5Å; P785-V789 PolarHBondContact O-N 3.25Å
786D96.2Very high84.2Confident127 Ų12763.2 Ų63.268%0.67940%0.399SS*.Hα-helixtrans-60.1-34.6177.6-50.3-53.8000113.1K784 A790K784-D786 VanDerWaalsContact C-N 3.31Å; K784-D786 PolarHBondContact O-N 3.25Å; D786-A790 VanDerWaalsContact O-CB 3.27Å; D786-A790 WeakPolarHBondContact O-CB 3.4Å; D786-A790 PolarHBondContact O-N 2.77Å
787V95.5Very high86.9Confident59 Ų5960.8 Ų60.836%0.35837%0.374SS..Hα-helixtrans-73.1-45.9178.7179.10000110K784 P785 V789 A790 E791K784-V787 HydrophobicContact CB-CB 4.26Å; K784-V787 HydrophobicContact CB-CG2 3.88Å; K784-V787 HydrophobicContact CD-CG2 4.47Å; K784-V787 PolarHBondContact O-N 3.03Å; P785-V787 VanDerWaalsContact C-N 3.26Å; P785-V787 PolarHBondContact O-N 2.67Å; V787-V789 PolarHBondContact O-N 3.34Å; V787-A790 PolarHBondContact O-N 2.91Å; V787-E791 WeakPolarHBondContact O-CG 3.17Å; V787-E791 PolarHBondContact O-N 3.45Å
788I96.5Very high89.6Confident1 Ų158.9 Ų58.91%0.00535%0.348CS..Hα-helixtrans-63.1-43176.8-60.1-53.6000110.8I657 V730 V736 S782 K784 P785 A790 E791 L792I657-I788 HydrophobicContact CD1-CB 4.44Å; I657-I788 HydrophobicContact CD1-CG1 3.81Å; I657-I788 HydrophobicContact CG2-CB 4.41Å; I657-I788 HydrophobicContact CG2-CG1 4.43Å; I657-I788 HydrophobicContact CG2-CG2 4.08Å; V730-I788 HydrophobicContact CG1-CD1 3.88Å; V730-I788 HydrophobicContact CG1-CG2 4.21Å; V730-I788 HydrophobicContact CG2-CG2 4.2Å; V736-I788 HydrophobicContact CG2-CD1 3.9Å; S782-I788 WeakPolarHBondContact O-CD1 3.39Å; K784-I788 PolarHBondContact O-N 2.87Å; K784-I788 VanDerWaalsContact O-N 3.15Å; P785-I788 PolarHBondContact O-N 3.4Å; I788-A790 PolarHBondContact O-N 3.45Å; I788-E791 PolarHBondContact O-N 2.92Å; I788-L792 HydrophobicContact CG2-CD1 3.95Å; I788-L792 HydrophobicContact CG2-CG 4.28Å; I788-L792 WeakPolarHBondContact O-CB 3.33Å; I788-L792 VanDerWaalsContact O-CG 3.22Å; I788-L792 WeakPolarHBondContact O-CG 3.3Å; I788-L792 PolarHBondContact O-N 2.9Å
789V97.2Very high92.1Very high29 Ų2955.4 Ų55.418%0.17631%0.312CS..Hα-helixtrans-65.2-37.9176.9172.80000111.7L663 F666 P785 V787 L792 W793L663-V789 HydrophobicContact CB-CG2 4.1Å; L663-V789 HydrophobicContact CD1-CG2 3.99Å; F666-V789 HydrophobicContact CB-CG1 3.99Å; F666-V789 HydrophobicContact CD2-CG1 4.43Å; F666-V789 HydrophobicContact CG-CG1 4.21Å; P785-V789 WeakPolarHBondContact O-CB 3.34Å; P785-V789 VanDerWaalsContact O-CG2 3.3Å; P785-V789 WeakPolarHBondContact O-CG2 3.5Å; P785-V789 PolarHBondContact O-N 3.25Å; V787-V789 PolarHBondContact O-N 3.34Å; V789-L792 PolarHBondContact O-N 2.9Å; V789-W793 VanDerWaalsContact O-CB 3.25Å; V789-W793 WeakPolarHBondContact O-CB 3.2Å; V789-W793 PolarHBondContact O-N 3.44Å
790A96.3Very high93.8Very high56 Ų5655.5 Ų55.546%0.46331%0.306SS..Hα-helixtrans-64.1-44175.100000112.7D786 V787 I788 W793 Q794D786-A790 VanDerWaalsContact O-CB 3.27Å; D786-A790 WeakPolarHBondContact O-CB 3.4Å; D786-A790 PolarHBondContact O-N 2.77Å; V787-A790 PolarHBondContact O-N 2.91Å; I788-A790 PolarHBondContact O-N 3.45Å; A790-W793 PolarHBondContact O-N 2.75Å; A790-Q794 WeakPolarHBondContact O-CB 3.48Å; A790-Q794 PolarHBondContact O-N 3.12Å
791E95.1Very high94.8Very high72 Ų7254.6 Ų54.634%0.33629%0.29SS..Hα-helixtrans-65.3-41.2175.9-67.1-75.6150.800111.6V736 V787 I788 Q794 A795V736-E791 HydrophobicContact CB-CB 4.41Å; V736-E791 HydrophobicContact CG1-CB 4.23Å; V736-E791 HydrophobicContact CG2-CB 3.97Å; V736-E791 HydrophobicContact CG2-CG 4.06Å; V787-E791 WeakPolarHBondContact O-CG 3.17Å; V787-E791 PolarHBondContact O-N 3.45Å; I788-E791 PolarHBondContact O-N 2.92Å; E791-Q794 PolarHBondContact O-N 2.99Å; E791-A795 WeakPolarHBondContact O-CB 3.48Å; E791-A795 PolarHBondContact O-N 3.45Å
792L96.9Very high95.1Very high0 Ų056.3 Ų56.30%029%0.292CS..Hα-helixtrans-67.3-35.9175-69.3178.8000112.7F639 L663 F666 L714 M716 C728 V730 I788 V789 Y796F639-L792 HydrophobicContact CE1-CD1 4.13Å; F639-L792 HydrophobicContact CE1-CD2 3.98Å; L663-L792 HydrophobicContact CD1-CD1 3.52Å; F666-L792 HydrophobicContact CE1-CB 3.7Å; F666-L792 HydrophobicContact CE1-CD1 4.06Å; F666-L792 HydrophobicContact CZ-CB 3.76Å; L714-L792 HydrophobicContact CD2-CD1 4.19Å; M716-L792 HydrophobicContact CE-CD2 4.4Å; M716-L792 WeakPolarHBondContact CE-O 3.32Å; C728-L792 WeakPolarHBondContact SG-CD2 3.36Å; V730-L792 HydrophobicContact CG2-CD2 3.94Å; V730-L792 HydrophobicContact CG2-CG 4.46Å; I788-L792 HydrophobicContact CG2-CD1 3.95Å; I788-L792 HydrophobicContact CG2-CG 4.28Å; I788-L792 WeakPolarHBondContact O-CB 3.33Å; I788-L792 VanDerWaalsContact O-CG 3.22Å; I788-L792 WeakPolarHBondContact O-CG 3.3Å; I788-L792 PolarHBondContact O-N 2.9Å; V789-L792 PolarHBondContact O-N 2.9Å; L792-Y796 WeakPolarHBondContact O-CB 3.31Å; L792-Y796 PolarHBondContact O-N 3.48Å
793W96.4Very high95.3Very high123 Ų12354.9 Ų54.947%0.46628%0.282SS..Hα-helixtrans-67.6-40.6173.2173.5-96.7000111.8F666 H670 V789 A790 Y796 T797F666-W793 HydrophobicContact CD2-CE3 4.48Å; F666-W793 HydrophobicContact CE2-CB 4.32Å; F666-W793 HydrophobicContact CE2-CE3 4.12Å; H670-W793 AromaticContact CE1-CZ3 3.81Å; H670-W793 AromaticContact NE2-CE3 3.76Å; H670-W793 AromaticContact NE2-CZ3 3.38Å; H670-W793 WeakPolarHBondContact NE2-CZ3 3.29Å; V789-W793 VanDerWaalsContact O-CB 3.25Å; V789-W793 WeakPolarHBondContact O-CB 3.2Å; V789-W793 PolarHBondContact O-N 3.44Å; A790-W793 PolarHBondContact O-N 2.75Å; W793-Y796 HydrophobicContact CE3-CD1 4.14Å; W793-Y796 AromaticContact CZ3-CD1 3.91Å; W793-Y796 HydrophobicContact CZ3-CD1 3.91Å; W793-Y796 HydrophobicContact CZ3-CE1 4.18Å; W793-Y796 PolarHBondContact O-N 2.86Å; W793-T797 PolarHBondContact NE1-OG1 3.31Å; W793-T797 WeakPolarHBondContact O-CB 3.45Å; W793-T797 PolarHBondContact O-N 2.9Å; W793-T797 PolarHBondContact O-OG1 3.07Å
794Q95.8Very high95.5Very high103 Ų10356.9 Ų56.948%0.48129%0.29SS..Hα-helixtrans-61.9-47.5173.4179.4171.7-27.800110.8A790 E791 Y796 T797 T798A790-Q794 WeakPolarHBondContact O-CB 3.48Å; A790-Q794 PolarHBondContact O-N 3.12Å; E791-Q794 PolarHBondContact O-N 2.99Å; Q794-Y796 PolarHBondContact O-N 2.91Å; Q794-T797 PolarHBondContact O-N 3.1Å; Q794-T798 PolarHBondContact O-N 3.09Å; Q794-T798 PolarHBondContact O-OG1 3.3Å
795A95Very high95.5Very high1 Ų154.1 Ų54.11%0.00829%0.285CS..Hα-helixtrans-54-5217400000111.5M716 L727 C728 M738 E791 T797 T798 Y799M716-A795 HydrophobicContact CE-CB 3.92Å; M716-A795 HydrophobicContact SD-CB 4.18Å; L727-A795 HydrophobicContact CD2-CB 4.17Å; L727-A795 WeakPolarHBondContact CD2-O 3.32Å; C728-A795 HydrophobicContact CB-CB 4.17Å; M738-A795 HydrophobicContact CE-CB 3.47Å; M738-A795 VanDerWaalsContact CE-CB 3.47Å; M738-A795 HydrophobicContact SD-CB 3.77Å; E791-A795 WeakPolarHBondContact O-CB 3.48Å; E791-A795 PolarHBondContact O-N 3.45Å; A795-T797 VanDerWaalsContact C-N 3.34Å; A795-T797 PolarHBondContact O-N 3.46Å; A795-T798 PolarHBondContact O-N 2.78Å; A795-Y799 PolarHBondContact O-N 3.23Å
796Y96.1Very high95.6Very high32 Ų3253.9 Ų53.913%0.12528%0.281CS..Hα-helixtrans-60.6-40.9178.5177.9-127.6000112.8P637 F672 L792 W793 Q794 T798 Y799 L800P637-Y796 HydrophobicContact CG-CD2 3.78Å; P637-Y796 HydrophobicContact CG-CE2 4.09Å; F672-Y796 HydrophobicContact CE1-CD2 4.29Å; F672-Y796 HydrophobicContact CE1-CE1 4.45Å; F672-Y796 AromaticContact CE1-CE2 3.82Å; F672-Y796 HydrophobicContact CE1-CE2 3.82Å; F672-Y796 AromaticContact CE1-CZ 3.9Å; F672-Y796 AromaticContact CZ-CD1 3.86Å; F672-Y796 HydrophobicContact CZ-CD1 3.86Å; F672-Y796 AromaticContact CZ-CD2 3.74Å; F672-Y796 HydrophobicContact CZ-CD2 3.74Å; F672-Y796 AromaticContact CZ-CE1 3.72Å; F672-Y796 HydrophobicContact CZ-CE1 3.72Å; F672-Y796 AromaticContact CZ-CE2 3.61Å; F672-Y796 HydrophobicContact CZ-CE2 3.61Å; F672-Y796 AromaticContact CZ-CG 3.86Å; F672-Y796 HydrophobicContact CZ-CG 3.86Å; F672-Y796 AromaticContact CZ-CZ 3.59Å; L792-Y796 WeakPolarHBondContact O-CB 3.31Å; L792-Y796 PolarHBondContact O-N 3.48Å; W793-Y796 HydrophobicContact CE3-CD1 4.14Å; W793-Y796 AromaticContact CZ3-CD1 3.91Å; W793-Y796 HydrophobicContact CZ3-CD1 3.91Å; W793-Y796 HydrophobicContact CZ3-CE1 4.18Å; W793-Y796 PolarHBondContact O-N 2.86Å; Q794-Y796 PolarHBondContact O-N 2.91Å; Y796-T798 PolarHBondContact O-N 3.21Å; Y796-Y799 HydrophobicContact CD2-CD1 4.07Å; Y796-Y799 HydrophobicContact CE2-CD1 4.15Å; Y796-Y799 WeakPolarHBondContact O-CB 3.43Å; Y796-Y799 PolarHBondContact O-N 2.88Å; Y796-Y799 VanDerWaalsContact O-N 3.16Å; Y796-L800 HydrophobicContact CD1-CD1 4.32Å; Y796-L800 HydrophobicContact CD2-CG 4.35Å; Y796-L800 HydrophobicContact CE1-CD1 3.83Å; Y796-L800 HydrophobicContact CE1-CG 4.45Å; Y796-L800 HydrophobicContact CE2-CD1 4.21Å; Y796-L800 HydrophobicContact CE2-CD2 3.89Å; Y796-L800 HydrophobicContact CE2-CG 3.95Å; Y796-L800 WeakPolarHBondContact O-CG 3.27Å; Y796-L800 PolarHBondContact O-N 2.87Å
797T95.2Very high95.6Very high46 Ų4648.3 Ų48.328%0.28225%0.252SS..Hα-helixtrans-60.8-45176.2-55.30000111.2W793 Q794 A795 Y799 L800 E801W793-T797 PolarHBondContact NE1-OG1 3.31Å; W793-T797 WeakPolarHBondContact O-CB 3.45Å; W793-T797 PolarHBondContact O-N 2.9Å; W793-T797 PolarHBondContact O-OG1 3.07Å; Q794-T797 PolarHBondContact O-N 3.1Å; A795-T797 VanDerWaalsContact C-N 3.34Å; A795-T797 PolarHBondContact O-N 3.46Å; T797-Y799 VanDerWaalsContact C-N 3.32Å; T797-Y799 PolarHBondContact O-N 2.7Å; T797-L800 PolarHBondContact O-N 3.15Å; T797-E801 PolarHBondContact O-N 2.95Å; T797-E801 VanDerWaalsContact O-N 3.08Å
798T93.6Very high95.6Very high35 Ų3547 Ų4722%0.21525%0.248CC..Hα-helixtrans-64.3-33.8175.1-59.80000112.5F745 Q794 A795 Y796 E801 L802F745-T798 HydrophobicContact CE2-CG2 4.11Å; F745-T798 HydrophobicContact CZ-CG2 3.76Å; Q794-T798 PolarHBondContact O-N 3.09Å; Q794-T798 PolarHBondContact O-OG1 3.3Å; A795-T798 PolarHBondContact O-N 2.78Å; Y796-T798 PolarHBondContact O-N 3.21Å; T798-E801 PolarHBondContact O-N 3.1Å; T798-L802 HydrophobicContact CG2-CD1 4.05Å; T798-L802 HydrophobicContact CG2-CG 4.5Å; T798-L802 WeakPolarHBondContact O-CB 3.42Å; T798-L802 VanDerWaalsContact O-CG 3.27Å; T798-L802 WeakPolarHBondContact O-CG 3.41Å; T798-L802 PolarHBondContact O-N 2.72Å
799Y95.4Very high95.5Very high0 Ų051 Ų510%027%0.272CS..Hα-helixtrans-63.7-43.9171.1166.5-114.1000112.4R635 P637 V718 L720 A795 Y796 T797 E801 L802 L803R635-Y799 VanDerWaalsContact CB-OH 3.28Å; R635-Y799 WeakPolarHBondContact CB-OH 3.41Å; R635-Y799 WeakPolarHBondContact O-CE1 3.24Å; R635-Y799 PolarHBondContact O-OH 3.34Å; P637-Y799 HydrophobicContact CG-CD1 3.94Å; P637-Y799 HydrophobicContact CG-CE1 4.05Å; V718-Y799 HydrophobicContact CB-CD2 3.62Å; V718-Y799 HydrophobicContact CB-CE2 3.6Å; V718-Y799 HydrophobicContact CB-CG 4.32Å; V718-Y799 HydrophobicContact CG1-CD1 4.22Å; V718-Y799 HydrophobicContact CG1-CD2 3.58Å; V718-Y799 HydrophobicContact CG1-CE1 4.48Å; V718-Y799 HydrophobicContact CG1-CE2 3.89Å; V718-Y799 HydrophobicContact CG1-CG 3.76Å; V718-Y799 HydrophobicContact CG2-CD2 4.13Å; V718-Y799 HydrophobicContact CG2-CE2 4.41Å; L720-Y799 HydrophobicContact CD1-CD2 4.47Å; L720-Y799 HydrophobicContact CD2-CD2 3.94Å; L720-Y799 HydrophobicContact CD2-CE2 3.85Å; L720-Y799 HydrophobicContact CG-CD2 4.24Å; L720-Y799 HydrophobicContact CG-CE2 4.23Å; A795-Y799 PolarHBondContact O-N 3.23Å; Y796-Y799 HydrophobicContact CD2-CD1 4.07Å; Y796-Y799 HydrophobicContact CE2-CD1 4.15Å; Y796-Y799 WeakPolarHBondContact O-CB 3.43Å; Y796-Y799 PolarHBondContact O-N 2.88Å; Y796-Y799 VanDerWaalsContact O-N 3.16Å; T797-Y799 VanDerWaalsContact C-N 3.32Å; T797-Y799 PolarHBondContact O-N 2.7Å; Y799-E801 VanDerWaalsContact C-N 3.32Å; Y799-E801 PolarHBondContact O-N 3.08Å; Y799-L802 CarbonylContact O-C 3.59Å; Y799-L802 PolarHBondContact O-N 2.94Å; Y799-L802 VanDerWaalsContact O-N 3.15Å; Y799-L803 HydrophobicContact CE1-CD2 4.09Å; Y799-L803 HydrophobicContact CE2-CB 4.22Å; Y799-L803 HydrophobicContact CE2-CD1 3.98Å; Y799-L803 HydrophobicContact CE2-CD2 4.36Å; Y799-L803 HydrophobicContact CE2-CG 4.41Å; Y799-L803 VanDerWaalsContact O-CB 3.28Å; Y799-L803 WeakPolarHBondContact O-CB 3.15Å; Y799-L803 PolarHBondContact O-N 2.75Å
800L95.4Very high95.4Very high75 Ų7551.1 Ų51.139%0.39327%0.271SS..Hα-helixtrans-61.6-39.3177.3-66.5176.9000112.1Y796 T797 L803 E804Y796-L800 HydrophobicContact CD1-CD1 4.32Å; Y796-L800 HydrophobicContact CD2-CG 4.35Å; Y796-L800 HydrophobicContact CE1-CD1 3.83Å; Y796-L800 HydrophobicContact CE1-CG 4.45Å; Y796-L800 HydrophobicContact CE2-CD1 4.21Å; Y796-L800 HydrophobicContact CE2-CD2 3.89Å; Y796-L800 HydrophobicContact CE2-CG 3.95Å; Y796-L800 WeakPolarHBondContact O-CG 3.27Å; Y796-L800 PolarHBondContact O-N 2.87Å; T797-L800 PolarHBondContact O-N 3.15Å; L800-L803 PolarHBondContact O-N 3.39Å; L800-E804 PolarHBondContact O-N 3.32Å; L800-E804 VanDerWaalsContact O-N 3.09Å
801E94.9Very high95.3Very high104 Ų10454.2 Ų54.249%0.48627%0.271SS..Hα-helixtrans-64.8-38.1173.4-69.6-177171.300112.7T797 T798 Y799T797-E801 PolarHBondContact O-N 2.95Å; T797-E801 VanDerWaalsContact O-N 3.08Å; T798-E801 PolarHBondContact O-N 3.1Å; Y799-E801 VanDerWaalsContact C-N 3.32Å; Y799-E801 PolarHBondContact O-N 3.08Å
802L94Very high95.3Very high63 Ų6355.2 Ų55.233%0.3328%0.275SS..Hα-helixtrans-74.7-26.8177.1-72.5169.8000113.5L720 F745 T798 Y799 P805L720-L802 HydrophobicContact CD1-CB 3.98Å; L720-L802 HydrophobicContact CD1-CD1 3.96Å; L720-L802 HydrophobicContact CD2-CB 3.97Å; F745-L802 HydrophobicContact CZ-CD1 4.4Å; F745-L802 HydrophobicContact CZ-CD2 4.21Å; F745-L802 HydrophobicContact CZ-CG 4.45Å; T798-L802 HydrophobicContact CG2-CD1 4.05Å; T798-L802 HydrophobicContact CG2-CG 4.5Å; T798-L802 WeakPolarHBondContact O-CB 3.42Å; T798-L802 VanDerWaalsContact O-CG 3.27Å; T798-L802 WeakPolarHBondContact O-CG 3.41Å; T798-L802 PolarHBondContact O-N 2.72Å; Y799-L802 CarbonylContact O-C 3.59Å; Y799-L802 PolarHBondContact O-N 2.94Å; Y799-L802 VanDerWaalsContact O-N 3.15Å; L802-P805 WeakPolarHBondContact O-CD 3.31Å
803L95.9Very high95.1Very high6 Ų660 Ų603%0.03130%0.3CS..Hα-helixtrans-84.3-28.2180-168.674.6000112.6V632 L720 Y799 L800 P805 E806 C807V632-L803 HydrophobicContact CG1-CD1 3.72Å; V632-L803 HydrophobicContact CG1-CG 4.06Å; L720-L803 HydrophobicContact CD2-CB 4.35Å; L720-L803 HydrophobicContact CD2-CD1 4.17Å; Y799-L803 HydrophobicContact CE1-CD2 4.09Å; Y799-L803 HydrophobicContact CE2-CB 4.22Å; Y799-L803 HydrophobicContact CE2-CD1 3.98Å; Y799-L803 HydrophobicContact CE2-CD2 4.36Å; Y799-L803 HydrophobicContact CE2-CG 4.41Å; Y799-L803 VanDerWaalsContact O-CB 3.28Å; Y799-L803 WeakPolarHBondContact O-CB 3.15Å; Y799-L803 PolarHBondContact O-N 2.75Å; L800-L803 PolarHBondContact O-N 3.39Å; L803-P805 VanDerWaalsContact C-CD 3.42Å; L803-P805 VanDerWaalsContact C-N 3.33Å; L803-E806 PolarHBondContact O-N 3.4Å; L803-C807 PolarHBondContact O-N 3.4Å; L803-C807 VanDerWaalsContact O-N 3.07Å; L803-C807 PolarHBondContact O-SG 3.39Å
804E95.6Very high94.8Very high91 Ų9156.6 Ų56.643%0.42529%0.29SS..Hα-helixtrans-47.8-44.8-177.3-156.9-68.1135.600113.9L800 E806 C807 A808 R811L800-E804 PolarHBondContact O-N 3.32Å; L800-E804 VanDerWaalsContact O-N 3.09Å; E804-E806 PolarHBondContact O-N 3.34Å; E804-C807 CarbonylContact O-C 3.58Å; E804-C807 WeakPolarHBondContact O-CB 3.28Å; E804-C807 PolarHBondContact O-N 3.31Å; E804-A808 WeakPolarHBondContact O-CB 3.4Å; E804-A808 PolarHBondContact O-N 2.92Å; E804-R811 IonicContact OE1-CZ 3.03Å; E804-R811 VanDerWaalsContact OE1-CZ 3.29Å; E804-R811 IonicContact OE1-NH1 3.69Å; E804-R811 PolarHBondContact OE1-NH1 3.44Å; E804-R811 IonicContact OE1-NH2 2.7Å; E804-R811 PolarHBondContact OE1-NH2 2.99Å
805P95.2Very high94.7Very high76 Ų7653.9 Ų53.949%0.49429%0.285SS..Hα-helixtrans-63.5-37.9-179.8-23.135.6000113.6L802 L803 A808 T809L802-P805 WeakPolarHBondContact O-CD 3.31Å; L803-P805 VanDerWaalsContact C-CD 3.42Å; L803-P805 VanDerWaalsContact C-N 3.33Å; P805-A808 PolarHBondContact O-N 3.02Å; P805-T809 WeakPolarHBondContact O-CG2 3.36Å; P805-T809 PolarHBondContact O-N 3.49Å; P805-T809 VanDerWaalsContact O-N 3.09Å
806E95.2Very high94.6Very high33 Ų3361.1 Ų61.115%0.15431%0.312CS..Hα-helixtrans-65.8-47173.3-75177.5-118.600110V632 R635 S721 L803 E804 A808 T809 E810V632-E806 HydrophobicContact CG1-CB 3.5Å; V632-E806 VanDerWaalsContact CG1-CB 3.5Å; V632-E806 HydrophobicContact CG2-CB 4.33Å; R635-E806 IonicContact CZ-OE2 3.84Å; R635-E806 IonicContact NH1-OE2 3.35Å; R635-E806 PolarHBondContact NH1-OE2 3.31Å; R635-E806 IonicContact NH2-OE2 2.69Å; S721-E806 PolarHBondContact N-OE1 3.1Å; L803-E806 PolarHBondContact O-N 3.4Å; E804-E806 PolarHBondContact O-N 3.34Å; E806-A808 VanDerWaalsContact C-N 3.26Å; E806-A808 PolarHBondContact O-N 3.34Å; E806-T809 PolarHBondContact O-N 2.94Å; E806-T809 VanDerWaalsContact O-N 3.1Å; E806-T809 PolarHBondContact O-OG1 2.96Å; E806-E810 PolarHBondContact O-N 3.29Å
807C95.8Very high94.4Very high10 Ų1067 Ų677%0.06833%0.334CS..Hα-helixtrans-57.7-38.4176.5-64.70000112.2V632 L803 E804 E810 R811V632-C807 VanDerWaalsContact CG1-SG 3.54Å; L803-C807 PolarHBondContact O-N 3.4Å; L803-C807 VanDerWaalsContact O-N 3.07Å; L803-C807 PolarHBondContact O-SG 3.39Å; E804-C807 CarbonylContact O-C 3.58Å; E804-C807 WeakPolarHBondContact O-CB 3.28Å; E804-C807 PolarHBondContact O-N 3.31Å; C807-E810 PolarHBondContact O-N 3Å; C807-R811 WeakPolarHBondContact O-CB 3.37Å; C807-R811 VanDerWaalsContact O-CG 3.25Å; C807-R811 WeakPolarHBondContact O-CG 3.3Å; C807-R811 PolarHBondContact O-N 3.44Å; C807-R811 PolarHBondContact O-NE 3.49Å
808A95.5Very high94.2Very high32 Ų3272 Ų7226%0.26435%0.348SS..Hα-helixtrans-66.1-41.8176.200000111.9E804 P805 E806 E812E804-A808 WeakPolarHBondContact O-CB 3.4Å; E804-A808 PolarHBondContact O-N 2.92Å; P805-A808 PolarHBondContact O-N 3.02Å; E806-A808 VanDerWaalsContact C-N 3.26Å; E806-A808 PolarHBondContact O-N 3.34Å; A808-E812 PolarHBondContact O-N 3.31Å; A808-E812 VanDerWaalsContact O-N 3.1Å
809T94.8Very high94.2Very high85 Ų8573.6 Ų73.652%0.52136%0.358SS..Hα-helixtrans-66.7-37.4174.661.40000112.6P805 E806 E812 I813P805-T809 WeakPolarHBondContact O-CG2 3.36Å; P805-T809 PolarHBondContact O-N 3.49Å; P805-T809 VanDerWaalsContact O-N 3.09Å; E806-T809 PolarHBondContact O-N 2.94Å; E806-T809 VanDerWaalsContact O-N 3.1Å; E806-T809 PolarHBondContact O-OG1 2.96Å; T809-E812 PolarHBondContact O-N 2.89Å; T809-I813 WeakPolarHBondContact O-CD1 3.42Å; T809-I813 VanDerWaalsContact O-CG1 3.24Å; T809-I813 WeakPolarHBondContact O-CG1 3.25Å; T809-I813 PolarHBondContact O-N 3.32Å
810E94.5Very high94.1Very high30 Ų3078.9 Ų78.914%0.1439%0.385CS..Hα-helixtrans-66.4-46.7175.3178.5173.9-103.800111.8Q631 V632 C633 E806 C807 E812 I813 I814Q631-E810 WeakPolarHBondContact CA-OE1 3.48Å; V632-E810 WeakPolarHBondContact CA-OE2 3.44Å; V632-E810 HydrophobicContact CB-CB 4.44Å; V632-E810 WeakPolarHBondContact CB-OE2 3.29Å; V632-E810 HydrophobicContact CG2-CB 4.12Å; V632-E810 HydrophobicContact CG2-CG 4.48Å; V632-E810 WeakPolarHBondContact CG2-OE1 3.12Å; V632-E810 PolarHBondContact N-OE1 3.15Å; V632-E810 PolarHBondContact N-OE2 2.88Å; C633-E810 PolarHBondContact N-OE2 2.87Å; C633-E810 VanDerWaalsContact N-OE2 3.11Å; C633-E810 PolarHBondContact SG-OE2 2.97Å; E806-E810 PolarHBondContact O-N 3.29Å; C807-E810 PolarHBondContact O-N 3Å; E810-E812 VanDerWaalsContact C-N 3.27Å; E810-E812 PolarHBondContact O-N 3.38Å; E810-I813 PolarHBondContact O-N 3.22Å; E810-I813 VanDerWaalsContact O-N 3.07Å; E810-I814 HydrophobicContact CG-CD1 3.78Å; E810-I814 HydrophobicContact CG-CG1 4.37Å; E810-I814 WeakPolarHBondContact O-CG1 3.46Å; E810-I814 PolarHBondContact O-N 2.97Å
811R94.4Very high93.9Very high122 Ų12280.2 Ų80.246%0.4639%0.389SS..Hα-helixtrans-53-44.7173.6-79.3176.3-106.9132.8-7.5111.8E804 C807 I814 A815E804-R811 IonicContact OE1-CZ 3.03Å; E804-R811 VanDerWaalsContact OE1-CZ 3.29Å; E804-R811 IonicContact OE1-NH1 3.69Å; E804-R811 PolarHBondContact OE1-NH1 3.44Å; E804-R811 IonicContact OE1-NH2 2.7Å; E804-R811 PolarHBondContact OE1-NH2 2.99Å; C807-R811 WeakPolarHBondContact O-CB 3.37Å; C807-R811 VanDerWaalsContact O-CG 3.25Å; C807-R811 WeakPolarHBondContact O-CG 3.3Å; C807-R811 PolarHBondContact O-N 3.44Å; C807-R811 PolarHBondContact O-NE 3.49Å; R811-I814 PolarHBondContact O-N 3.47Å; R811-A815 VanDerWaalsContact O-CB 3.31Å; R811-A815 WeakPolarHBondContact O-CB 3.38Å; R811-A815 PolarHBondContact O-N 3.2Å
812E95.3Very high93.9Very high93 Ų9382 Ų8244%0.43540%0.398SS..Hα-helixtrans-66.8-38.2176.6178.465.1-174.500112.7A808 T809 E810 R816A808-E812 PolarHBondContact O-N 3.31Å; A808-E812 VanDerWaalsContact O-N 3.1Å; T809-E812 PolarHBondContact O-N 2.89Å; E810-E812 VanDerWaalsContact C-N 3.27Å; E810-E812 PolarHBondContact O-N 3.38Å; E812-R816 WeakPolarHBondContact O-CB 3.44Å; E812-R816 VanDerWaalsContact O-CG 3.24Å; E812-R816 WeakPolarHBondContact O-CG 3.43Å; E812-R816 PolarHBondContact O-N 2.91Å; E812-R816 IonicContact OE1-CZ 3.49Å; E812-R816 IonicContact OE1-NE 3.67Å; E812-R816 PolarHBondContact OE1-NE 2.66Å; E812-R816 IonicContact OE1-NH2 2.78Å; E812-R816 PolarHBondContact OE1-NH2 3.24Å
813I92.5Very high93.8Very high101 Ų10184.7 Ų84.752%0.51841%0.409SS..Hα-helixtrans-66-43.7175.4-70.9162.4000111.1T809 E810 R816 R817T809-I813 WeakPolarHBondContact O-CD1 3.42Å; T809-I813 VanDerWaalsContact O-CG1 3.24Å; T809-I813 WeakPolarHBondContact O-CG1 3.25Å; T809-I813 PolarHBondContact O-N 3.32Å; E810-I813 PolarHBondContact O-N 3.22Å; E810-I813 VanDerWaalsContact O-N 3.07Å; I813-R816 PolarHBondContact O-N 3.13Å; I813-R817 PolarHBondContact O-N 3.43Å
814I91.4Very high93.6Very high51 Ų5190.6 Ų90.626%0.26244%0.436SS..Hα-helixtrans-66.1-43177.6-66.8170.5000110.5E810 R811 R816 R817 R818E810-I814 HydrophobicContact CG-CD1 3.78Å; E810-I814 HydrophobicContact CG-CG1 4.37Å; E810-I814 WeakPolarHBondContact O-CG1 3.46Å; E810-I814 PolarHBondContact O-N 2.97Å; R811-I814 PolarHBondContact O-N 3.47Å; I814-R816 PolarHBondContact O-N 2.96Å; I814-R817 PolarHBondContact O-N 2.87Å; I814-R818 PolarHBondContact O-N 3.46Å
815A94Very high93.5Very high46 Ų4689 Ų8938%0.3844%0.439SS..Hα-helixtrans-59.8-45.9175.500000111.9R811 R817 R818 V819R811-A815 VanDerWaalsContact O-CB 3.31Å; R811-A815 WeakPolarHBondContact O-CB 3.38Å; R811-A815 PolarHBondContact O-N 3.2Å; A815-R817 VanDerWaalsContact C-N 3.33Å; A815-R817 PolarHBondContact O-N 2.68Å; A815-R818 PolarHBondContact O-N 2.85Å; A815-V819 WeakPolarHBondContact O-CG2 3.4Å; A815-V819 PolarHBondContact O-N 2.84Å; A815-V819 VanDerWaalsContact O-N 3.13Å
816R92.9Very high93.5Very high152 Ų15288.3 Ų88.357%0.57444%0.439SS*.Hα-helixtrans-62.6-37.2175.1-72.5172.8-171.4-176.27.5112.9E812 I813 I814 L820E812-R816 WeakPolarHBondContact O-CB 3.44Å; E812-R816 VanDerWaalsContact O-CG 3.24Å; E812-R816 WeakPolarHBondContact O-CG 3.43Å; E812-R816 PolarHBondContact O-N 2.91Å; E812-R816 IonicContact OE1-CZ 3.49Å; E812-R816 IonicContact OE1-NE 3.67Å; E812-R816 PolarHBondContact OE1-NE 2.66Å; E812-R816 IonicContact OE1-NH2 2.78Å; E812-R816 PolarHBondContact OE1-NH2 3.24Å; I813-R816 PolarHBondContact O-N 3.13Å; I814-R816 PolarHBondContact O-N 2.96Å; R816-L820 WeakPolarHBondContact O-CG 3.24Å; R816-L820 PolarHBondContact O-N 3.18Å
817R90.2Very high93.4Very high155 Ų15594.1 Ų94.159%0.58546%0.461SS*.Hα-helixtrans-63.7-50175.8-171.6-173.1-68.6173.6-1.3111.1I813 I814 A815 V819 L820 E821I813-R817 PolarHBondContact O-N 3.43Å; I814-R817 PolarHBondContact O-N 2.87Å; A815-R817 VanDerWaalsContact C-N 3.33Å; A815-R817 PolarHBondContact O-N 2.68Å; R817-V819 VanDerWaalsContact C-N 3.28Å; R817-V819 PolarHBondContact O-N 2.74Å; R817-L820 WeakPolarHBondContact O-CA 3.36Å; R817-L820 WeakPolarHBondContact O-CB 3.42Å; R817-L820 PolarHBondContact O-N 3.19Å; R817-E821 WeakPolarHBondContact CD-OE1 3.48Å; R817-E821 HydrophobicContact CG-CG 4.22Å; R817-E821 VanDerWaalsContact CG-OE1 3.28Å; R817-E821 WeakPolarHBondContact CG-OE1 3.32Å; R817-E821 WeakPolarHBondContact O-CG 3.42Å; R817-E821 PolarHBondContact O-N 3.14Å
818R93.1Very high93.3Very high151 Ų15199.2 Ų99.257%0.5748%0.483SS*.Hα-helixtrans-56.8-41.3178.7-71.9178176.8178.5-1.4112.6I814 A815 L820 E821 E822I814-R818 PolarHBondContact O-N 3.46Å; A815-R818 PolarHBondContact O-N 2.85Å; R818-L820 VanDerWaalsContact C-N 3.29Å; R818-L820 PolarHBondContact O-N 3.32Å; R818-E821 WeakPolarHBondContact CA-OE2 3.49Å; R818-E821 PolarHBondContact O-N 3.3Å; R818-E822 WeakPolarHBondContact O-CB 3.37Å; R818-E822 PolarHBondContact O-N 3.41Å
819V92.7Very high93.2Very high70 Ų70103.6 Ų103.642%0.42450%0.498SS..Hα-helixtrans-66.4-29176.41710000112.7A815 R817 Q823A815-V819 WeakPolarHBondContact O-CG2 3.4Å; A815-V819 PolarHBondContact O-N 2.84Å; A815-V819 VanDerWaalsContact O-N 3.13Å; R817-V819 VanDerWaalsContact C-N 3.28Å; R817-V819 PolarHBondContact O-N 2.74Å; V819-Q823 VanDerWaalsContact CG1-NE2 3.33Å; V819-Q823 WeakPolarHBondContact O-CB 3.49Å; V819-Q823 WeakPolarHBondContact O-CG 3.39Å; V819-Q823 PolarHBondContact O-N 2.82Å; V819-Q823 PolarHBondContact O-NE2 3.39Å
820L92.6Very high93.3Very high111 Ų111102.8 Ų102.858%0.58150%0.497SS*.Hα-helixtrans-76.8-42.5172.3-70.6168.1000111.7R816 R817 R818 E822 Q823 E824R816-L820 WeakPolarHBondContact O-CG 3.24Å; R816-L820 PolarHBondContact O-N 3.18Å; R817-L820 WeakPolarHBondContact O-CA 3.36Å; R817-L820 WeakPolarHBondContact O-CB 3.42Å; R817-L820 PolarHBondContact O-N 3.19Å; R818-L820 VanDerWaalsContact C-N 3.29Å; R818-L820 PolarHBondContact O-N 3.32Å; L820-E822 VanDerWaalsContact C-N 3.33Å; L820-E822 PolarHBondContact O-N 2.85Å; L820-Q823 PolarHBondContact O-N 3.43Å; L820-E824 WeakPolarHBondContact O-CB 3.2Å; L820-E824 PolarHBondContact O-N 3.03Å
821E91.8Very high93.4Very high102 Ų102105 Ų10548%0.47751%0.509SS..Hα-helixtrans-60.2-41.6176.2-69.4162.7163.700111.2R817 R818 E824 A825R817-E821 WeakPolarHBondContact CD-OE1 3.48Å; R817-E821 HydrophobicContact CG-CG 4.22Å; R817-E821 VanDerWaalsContact CG-OE1 3.28Å; R817-E821 WeakPolarHBondContact CG-OE1 3.32Å; R817-E821 WeakPolarHBondContact O-CG 3.42Å; R817-E821 PolarHBondContact O-N 3.14Å; R818-E821 WeakPolarHBondContact CA-OE2 3.49Å; R818-E821 PolarHBondContact O-N 3.3Å; E821-E824 PolarHBondContact O-N 3.4Å; E821-A825 WeakPolarHBondContact O-CB 3.25Å; E821-A825 PolarHBondContact O-N 2.94Å
822E94.1Very high93.4Very high142 Ų142107.5 Ų107.566%0.66452%0.518SS*.Hα-helixtrans-63.9-41.1173.7-173.3-178.3-17900112.4R818 L820 A826R818-E822 WeakPolarHBondContact O-CB 3.37Å; R818-E822 PolarHBondContact O-N 3.41Å; L820-E822 VanDerWaalsContact C-N 3.33Å; L820-E822 PolarHBondContact O-N 2.85Å; E822-A826 WeakPolarHBondContact O-CB 3.35Å; E822-A826 PolarHBondContact O-N 3.35Å
823Q93.3Very high93.3Very high119 Ų119110.8 Ų110.856%0.55653%0.527SS*.Hα-helixtrans-70.6-36.7177.3-75.7172.133.300112.9V819 L820 Y827V819-Q823 VanDerWaalsContact CG1-NE2 3.33Å; V819-Q823 WeakPolarHBondContact O-CB 3.49Å; V819-Q823 WeakPolarHBondContact O-CG 3.39Å; V819-Q823 PolarHBondContact O-N 2.82Å; V819-Q823 PolarHBondContact O-NE2 3.39Å; L820-Q823 PolarHBondContact O-N 3.43Å; Q823-Y827 WeakPolarHBondContact O-CB 3.29Å; Q823-Y827 PolarHBondContact O-N 3.44Å
824E91.3Very high93.5Very high131 Ų131110.1 Ų110.161%0.61252%0.524SS*.Hα-helixtrans-68-46.5176-170.9155.9-128.600110.4L820 E821 A826 Y827 E828L820-E824 WeakPolarHBondContact O-CB 3.2Å; L820-E824 PolarHBondContact O-N 3.03Å; E821-E824 PolarHBondContact O-N 3.4Å; E824-A826 PolarHBondContact O-N 3.44Å; E824-Y827 WeakPolarHBondContact O-CB 3.35Å; E824-Y827 PolarHBondContact O-N 2.97Å; E824-Y827 VanDerWaalsContact O-N 3.14Å; E824-E828 WeakPolarHBondContact O-CG 3.34Å; E824-E828 PolarHBondContact O-N 3.46Å
825A93.5Very high93.7Very high58 Ų58113.3 Ų113.348%0.47954%0.538SS..Hα-helixtrans-58.5-45.2174.200000112.8E821 Y827 E828 E829E821-A825 WeakPolarHBondContact O-CB 3.25Å; E821-A825 PolarHBondContact O-N 2.94Å; A825-Y827 VanDerWaalsContact C-N 3.31Å; A825-Y827 PolarHBondContact O-N 2.98Å; A825-E828 PolarHBondContact O-N 3.36Å; A825-E829 PolarHBondContact O-N 2.83Å
826A95.1Very high93.7Very high60 Ų60117.2 Ų117.250%0.49655%0.548SS..Hα-helixtrans-65.8-32.6176.500000112.9E822 E824 S830E822-A826 WeakPolarHBondContact O-CB 3.35Å; E822-A826 PolarHBondContact O-N 3.35Å; E824-A826 PolarHBondContact O-N 3.44Å; A826-S830 WeakPolarHBondContact O-CB 3.34Å; A826-S830 PolarHBondContact O-N 3.25Å
827Y93.1Very high93.9Very high155 Ų155114.2 Ų114.261%0.60854%0.54SS*.Hα-helixtrans-70.5-43.2173.4179.6-102.3000111.9Q823 E824 A825 S830 L831Q823-Y827 WeakPolarHBondContact O-CB 3.29Å; Q823-Y827 PolarHBondContact O-N 3.44Å; E824-Y827 WeakPolarHBondContact O-CB 3.35Å; E824-Y827 PolarHBondContact O-N 2.97Å; E824-Y827 VanDerWaalsContact O-N 3.14Å; A825-Y827 VanDerWaalsContact C-N 3.31Å; A825-Y827 PolarHBondContact O-N 2.98Å; Y827-S830 PolarHBondContact O-N 2.88Å; Y827-L831 HydrophobicContact CE1-CD2 4.3Å; Y827-L831 WeakPolarHBondContact O-CB 3.47Å; Y827-L831 PolarHBondContact O-N 3.21Å
828E94.4Very high94Very high117 Ų117113.4 Ų113.455%0.54754%0.542SS..Hα-helixtrans-63.6-40.4175.9-73.1-161.5159.400112.6E824 A825 L831 R832E824-E828 WeakPolarHBondContact O-CG 3.34Å; E824-E828 PolarHBondContact O-N 3.46Å; A825-E828 PolarHBondContact O-N 3.36Å; E828-L831 PolarHBondContact O-N 2.99Å; E828-R832 WeakPolarHBondContact O-CB 3.44Å; E828-R832 PolarHBondContact O-N 3.44Å
829E92.8Very high94Very high124 Ų124115.5 Ų115.558%0.57955%0.55SS**Hα-helixtrans-62.3-46.4175-162.2-154.715000110.9A825 L831 R832 R833A825-E829 PolarHBondContact O-N 2.83Å; E829-L831 PolarHBondContact O-N 3.41Å; E829-R832 PolarHBondContact O-N 2.89Å; E829-R833 VanDerWaalsContact O-CB 3.27Å; E829-R833 WeakPolarHBondContact O-CB 3.44Å; E829-R833 PolarHBondContact O-N 3.03Å
830S96.3Very high94.1Very high69 Ų69118.5 Ų118.548%0.48356%0.56SS.*Hα-helixtrans-59.8-44.7176.5-170.30000111.9A826 Y827 R833 D834A826-S830 WeakPolarHBondContact O-CB 3.34Å; A826-S830 PolarHBondContact O-N 3.25Å; Y827-S830 PolarHBondContact O-N 2.88Å; S830-R833 PolarHBondContact O-N 3.2Å; S830-D834 PolarHBondContact O-N 2.86Å
831L96.1Very high94.3Very high76 Ų76120.9 Ų120.940%0.39856%0.561SS.*Hα-helixtrans-64.6-44.4177.5-178.960.5000111.9Y827 E828 E829 R833 D834 Q835Y827-L831 HydrophobicContact CE1-CD2 4.3Å; Y827-L831 WeakPolarHBondContact O-CB 3.47Å; Y827-L831 PolarHBondContact O-N 3.21Å; E828-L831 PolarHBondContact O-N 2.99Å; E829-L831 PolarHBondContact O-N 3.41Å; L831-R833 VanDerWaalsContact C-N 3.3Å; L831-R833 PolarHBondContact O-N 2.88Å; L831-D834 PolarHBondContact O-N 3.3Å; L831-Q835 HydrophobicContact CD1-CG 4.47Å; L831-Q835 WeakPolarHBondContact O-CB 3.49Å; L831-Q835 VanDerWaalsContact O-CG 3.29Å; L831-Q835 WeakPolarHBondContact O-CG 3.38Å; L831-Q835 PolarHBondContact O-N 3.27Å
832R94.6Very high94.5Very high175 Ų175118.6 Ų118.666%0.6656%0.56SS**Hα-helixtrans-58.3-44173.5-177-173.2-65.5-1731.8110.8E828 E829 Q835 E836E828-R832 WeakPolarHBondContact O-CB 3.44Å; E828-R832 PolarHBondContact O-N 3.44Å; E829-R832 PolarHBondContact O-N 2.89Å; R832-Q835 PolarHBondContact O-N 3.26Å; R832-E836 WeakPolarHBondContact O-CB 3.27Å; R832-E836 PolarHBondContact O-N 2.88Å
833R93.8Very high94.6Very high162 Ų162118.2 Ų118.261%0.61156%0.556SS**Hα-helixtrans-66-37.7-177.6-169.4174.5-167.277.53.4113.2E829 S830 L831 K837E829-R833 VanDerWaalsContact O-CB 3.27Å; E829-R833 WeakPolarHBondContact O-CB 3.44Å; E829-R833 PolarHBondContact O-N 3.03Å; S830-R833 PolarHBondContact O-N 3.2Å; L831-R833 VanDerWaalsContact C-N 3.3Å; L831-R833 PolarHBondContact O-N 2.88Å; R833-K837 WeakPolarHBondContact O-CB 3.4Å; R833-K837 PolarHBondContact O-N 2.88Å
834D96.4Very high94.7Very high87 Ų87115.2 Ų115.247%0.46555%0.551SS.*Hα-helixtrans-76.9-33.4173.5-89.9-23.7000112.5S830 L831 K837 E838S830-D834 PolarHBondContact O-N 2.86Å; L831-D834 PolarHBondContact O-N 3.3Å; D834-K837 WeakPolarHBondContact OD1-CD 3.19Å; D834-K837 IonicContact OD1-NZ 3.59Å; D834-K837 PolarHBondContact OD1-NZ 2.78Å; D834-E838 PolarHBondContact O-N 3.48Å
835Q95.3Very high95Very high117 Ų117115.3 Ų115.355%0.54755%0.55SS..Hα-helixtrans-64.2-46.9172.4-74.8177.612.900112.8L831 R832 K837 E838 W839L831-Q835 HydrophobicContact CD1-CG 4.47Å; L831-Q835 WeakPolarHBondContact O-CB 3.49Å; L831-Q835 VanDerWaalsContact O-CG 3.29Å; L831-Q835 WeakPolarHBondContact O-CG 3.38Å; L831-Q835 PolarHBondContact O-N 3.27Å; R832-Q835 PolarHBondContact O-N 3.26Å; Q835-K837 VanDerWaalsContact C-N 3.3Å; Q835-K837 PolarHBondContact O-N 3.22Å; Q835-E838 PolarHBondContact O-N 2.96Å; Q835-W839 WeakPolarHBondContact O-CB 3.17Å; Q835-W839 PolarHBondContact O-N 3.33Å
836E95.2Very high95.1Very high129 Ų129115.4 Ų115.460%0.60355%0.551SS**Hα-helixtrans-58.5-44.1177.5178.5176.3-150.900111.3R832 W839 E840R832-E836 WeakPolarHBondContact O-CB 3.27Å; R832-E836 PolarHBondContact O-N 2.88Å; E836-W839 WeakPolarHBondContact O-CB 3.17Å; E836-W839 PolarHBondContact O-N 3.48Å; E836-E840 WeakPolarHBondContact O-CB 3.4Å; E836-E840 PolarHBondContact O-N 3.32Å
837K96.2Very high95.1Very high89 Ų89118.7 Ų118.739%0.38756%0.556SS.*Hα-helixtrans-68.4-30.5177.8178.9-174.6176.2-166.90113.1R833 D834 Q835 R841R833-K837 WeakPolarHBondContact O-CB 3.4Å; R833-K837 PolarHBondContact O-N 2.88Å; D834-K837 WeakPolarHBondContact OD1-CD 3.19Å; D834-K837 IonicContact OD1-NZ 3.59Å; D834-K837 PolarHBondContact OD1-NZ 2.78Å; Q835-K837 VanDerWaalsContact C-N 3.3Å; Q835-K837 PolarHBondContact O-N 3.22Å; K837-R841 WeakPolarHBondContact O-CD 3.3Å; K837-R841 WeakPolarHBondContact O-CG 3.43Å; K837-R841 PolarHBondContact O-N 3.47Å
838E93.3Very high95.3Very high138 Ų138115.2 Ų115.265%0.64555%0.545SS*.Hα-helixtrans-72.3-43.7168.5-177165.3-155.300111.5D834 Q835 E840 R841 A842D834-E838 PolarHBondContact O-N 3.48Å; Q835-E838 PolarHBondContact O-N 2.96Å; E838-E840 PolarHBondContact O-N 2.96Å; E838-R841 PolarHBondContact O-N 3.26Å; E838-A842 WeakPolarHBondContact O-CB 3.44Å; E838-A842 PolarHBondContact O-N 3.35Å
839W92.8Very high95.3Very high194 Ų194112.3 Ų112.374%0.73553%0.533SS*.Hα-helixtrans-60.5-43.6176.9178.5-104.4000112.6Q835 E836 A842 K843Q835-W839 WeakPolarHBondContact O-CB 3.17Å; Q835-W839 PolarHBondContact O-N 3.33Å; E836-W839 WeakPolarHBondContact O-CB 3.17Å; E836-W839 PolarHBondContact O-N 3.48Å; W839-A842 PolarHBondContact O-N 2.8Å; W839-K843 VanDerWaalsContact O-CB 3.3Å; W839-K843 WeakPolarHBondContact O-CB 3.47Å; W839-K843 PolarHBondContact O-N 2.93Å
840E94.6Very high95.4Very high134 Ų134112.9 Ų112.963%0.62653%0.534SS*.Hα-helixtrans-59.6-47.4174.7-173.3-174.7-143.700111.4E836 E838 A842 K843 A844E836-E840 WeakPolarHBondContact O-CB 3.4Å; E836-E840 PolarHBondContact O-N 3.32Å; E838-E840 PolarHBondContact O-N 2.96Å; E840-A842 PolarHBondContact O-N 3.4Å; E840-K843 PolarHBondContact O-N 2.99Å; E840-A844 WeakPolarHBondContact O-CB 3.25Å; E840-A844 PolarHBondContact O-N 3.43Å
841R95.5Very high95.4Very high160 Ų160116.7 Ų116.760%0.60454%0.538SS*.Hα-helixtrans-61.3-42.9176.4-71.4164.8176.2169.8-8.3112.2K837 E838 K845K837-R841 WeakPolarHBondContact O-CD 3.3Å; K837-R841 WeakPolarHBondContact O-CG 3.43Å; K837-R841 PolarHBondContact O-N 3.47Å; E838-R841 PolarHBondContact O-N 3.26Å; R841-K845 WeakPolarHBondContact O-CB 3.35Å; R841-K845 PolarHBondContact O-N 3.39Å
842A96.3Very high95.4Very high55 Ų55117.4 Ų117.446%0.45554%0.538SS..Hα-helixtrans-63.8-43.9177.900000111.4E838 W839 E840 K845 A846E838-A842 WeakPolarHBondContact O-CB 3.44Å; E838-A842 PolarHBondContact O-N 3.35Å; W839-A842 PolarHBondContact O-N 2.8Å; E840-A842 PolarHBondContact O-N 3.4Å; A842-K845 PolarHBondContact O-N 3.41Å; A842-A846 WeakPolarHBondContact O-CB 3.4Å; A842-A846 PolarHBondContact O-N 2.76Å
843K97Very high95.4Very high134 Ų134115.3 Ų115.358%0.58354%0.535SS*.Hα-helixtrans-62.5-48.6175.4-178.1-175.7174.6-170.20112W839 E840 K845 A846 E847W839-K843 VanDerWaalsContact O-CB 3.3Å; W839-K843 WeakPolarHBondContact O-CB 3.47Å; W839-K843 PolarHBondContact O-N 2.93Å; E840-K843 PolarHBondContact O-N 2.99Å; K843-K845 VanDerWaalsContact C-N 3.33Å; K843-K845 PolarHBondContact O-N 2.85Å; K843-A846 PolarHBondContact O-N 2.8Å; K843-E847 PolarHBondContact O-N 3.15Å
844A96.1Very high95.5Very high55 Ų55112.3 Ų112.346%0.45553%0.531SS..Hα-helixtrans-60.5-42.1178.500000111.9E840 E847 E848E840-A844 WeakPolarHBondContact O-CB 3.25Å; E840-A844 PolarHBondContact O-N 3.43Å; A844-E847 PolarHBondContact O-N 3.41Å; A844-E848 PolarHBondContact O-N 2.86Å
845K96.1Very high95.4Very high133 Ų133113.2 Ų113.258%0.57853%0.532SS*.Hα-helixtrans-63.4-45.4174.1-176.1-178.3175.8-173.30112.1R841 A842 K843 E847 E848 D849R841-K845 WeakPolarHBondContact O-CB 3.35Å; R841-K845 PolarHBondContact O-N 3.39Å; A842-K845 PolarHBondContact O-N 3.41Å; K843-K845 VanDerWaalsContact C-N 3.33Å; K843-K845 PolarHBondContact O-N 2.85Å; K845-E847 VanDerWaalsContact C-N 3.29Å; K845-E847 PolarHBondContact O-N 2.9Å; K845-E848 PolarHBondContact O-N 3.46Å; K845-D849 PolarHBondContact O-N 3.44Å
846A96.6Very high95.4Very high61 Ų61112.7 Ų112.750%0.50453%0.53SS..Hα-helixtrans-62.7-35.5178.200000112.4A842 K843 K850A842-A846 WeakPolarHBondContact O-CB 3.4Å; A842-A846 PolarHBondContact O-N 2.76Å; K843-A846 PolarHBondContact O-N 2.8Å; A846-K850 VanDerWaalsContact O-CB 3.25Å; A846-K850 WeakPolarHBondContact O-CB 3.39Å; A846-K850 PolarHBondContact O-N 2.99Å
847E95.3Very high95.4Very high129 Ų129112.6 Ų112.660%0.60353%0.529SS*.Hα-helixtrans-68.3-41.8172.7-172.5173.9165.800112.2K843 A844 K845 K850 R851K843-E847 PolarHBondContact O-N 3.15Å; A844-E847 PolarHBondContact O-N 3.41Å; K845-E847 VanDerWaalsContact C-N 3.29Å; K845-E847 PolarHBondContact O-N 2.9Å; E847-K850 PolarHBondContact O-N 3.32Å; E847-R851 WeakPolarHBondContact O-CB 3.38Å; E847-R851 PolarHBondContact O-N 3.48Å
848E95.8Very high95.3Very high82 Ų82114.7 Ų114.738%0.38354%0.538SS..Hα-helixtrans-62.3-45.5175.4-158.7-160.4134.300112A844 K845 R851 K852A844-E848 PolarHBondContact O-N 2.86Å; K845-E848 PolarHBondContact O-N 3.46Å; E848-R851 WeakPolarHBondContact O-CB 3.36Å; E848-R851 PolarHBondContact O-N 3.4Å; E848-K852 WeakPolarHBondContact O-CG 3.25Å; E848-K852 PolarHBondContact O-N 3.08Å; E848-K852 WeakPolarHBondContact OE1-CE 3.4Å; E848-K852 IonicContact OE1-NZ 3.03Å; E848-K852 PolarHBondContact OE1-NZ 3.22Å
849D95.3Very high95.4Very high56 Ų56114.8 Ų114.830%0.29953%0.533SS..Hα-helixtrans-69.2-36.9-180-70.1-21.7000111.5K845 K852 Q853K845-D849 PolarHBondContact O-N 3.44Å; D849-K852 PolarHBondContact O-N 3.36Å; D849-K852 IonicContact OD1-NZ 3.34Å; D849-K852 PolarHBondContact OD1-NZ 3.11Å; D849-Q853 WeakPolarHBondContact O-CG 3.44Å; D849-Q853 PolarHBondContact O-N 2.91Å; D849-Q853 VanDerWaalsContact O-N 3.08Å
850K95.5Very high95.5Very high135 Ų135109.8 Ų109.859%0.58752%0.52SS*.Hα-helixtrans-62.7-39.5169.5-175.6179.8-179.6-177.70112.2A846 E847 Q853 L854A846-K850 VanDerWaalsContact O-CB 3.25Å; A846-K850 WeakPolarHBondContact O-CB 3.39Å; A846-K850 PolarHBondContact O-N 2.99Å; E847-K850 PolarHBondContact O-N 3.32Å; K850-Q853 PolarHBondContact O-N 3.47Å; K850-L854 HydrophobicContact CG-CD1 4.34Å; K850-L854 WeakPolarHBondContact O-CG 3.4Å; K850-L854 PolarHBondContact O-N 2.97Å; K850-L854 VanDerWaalsContact O-N 3.11Å
851R95.2Very high95.6Very high149 Ų149107 Ų10756%0.56251%0.509SS*.Hα-helixtrans-63.7-41.8176.4-172.1177.170.3-128.81.6111.6E847 E848 L854 E855E847-R851 WeakPolarHBondContact O-CB 3.38Å; E847-R851 PolarHBondContact O-N 3.48Å; E848-R851 WeakPolarHBondContact O-CB 3.36Å; E848-R851 PolarHBondContact O-N 3.4Å; R851-L854 PolarHBondContact O-N 3.15Å; R851-E855 PolarHBondContact O-N 3.05Å; R851-E855 VanDerWaalsContact O-N 3.08Å
852K95.9Very high95.4Very high92 Ų92102.7 Ų102.740%0.450%0.498SS..Hα-helixtrans-60.7-46.3174.7-67.9166.1-164.4154.10111.8E848 D849 L854 E855 E856E848-K852 WeakPolarHBondContact O-CG 3.25Å; E848-K852 PolarHBondContact O-N 3.08Å; E848-K852 WeakPolarHBondContact OE1-CE 3.4Å; E848-K852 IonicContact OE1-NZ 3.03Å; E848-K852 PolarHBondContact OE1-NZ 3.22Å; D849-K852 PolarHBondContact O-N 3.36Å; D849-K852 IonicContact OD1-NZ 3.34Å; D849-K852 PolarHBondContact OD1-NZ 3.11Å; K852-L854 PolarHBondContact O-N 2.67Å; K852-E855 PolarHBondContact O-N 3Å; K852-E856 WeakPolarHBondContact O-CB 3.07Å; K852-E856 PolarHBondContact O-N 3.39Å
853Q95.2Very high95.2Very high131 Ų131106.4 Ų106.461%0.61251%0.506SS*.Hα-helixtrans-59.1-45.1178.3-72.7173.42.500112.2D849 K850 E855 E856 E857D849-Q853 WeakPolarHBondContact O-CG 3.44Å; D849-Q853 PolarHBondContact O-N 2.91Å; D849-Q853 VanDerWaalsContact O-N 3.08Å; K850-Q853 PolarHBondContact O-N 3.47Å; Q853-E855 PolarHBondContact O-N 2.88Å; Q853-E856 PolarHBondContact O-N 3.2Å; Q853-E857 WeakPolarHBondContact O-CB 3.47Å; Q853-E857 PolarHBondContact O-N 3.31Å
854L95Very high95.2Very high98 Ų98103.8 Ų103.851%0.51350%0.497SS..Hα-helixtrans-66.2-34.7177.7-70.5169.6000112.9K850 R851 K852 K858K850-L854 HydrophobicContact CG-CD1 4.34Å; K850-L854 WeakPolarHBondContact O-CG 3.4Å; K850-L854 PolarHBondContact O-N 2.97Å; K850-L854 VanDerWaalsContact O-N 3.11Å; R851-L854 PolarHBondContact O-N 3.15Å; K852-L854 PolarHBondContact O-N 2.67Å; L854-K858 WeakPolarHBondContact O-CB 3.38Å; L854-K858 PolarHBondContact O-N 3.27Å; L854-K858 VanDerWaalsContact O-N 3.11Å
855E94.6Very high95.1Very high107 Ų107105.8 Ų105.850%0.550%0.496SS..Hα-helixtrans-69.1-41.6174.1-162-166135.100111.6R851 K852 Q853 K858 R859R851-E855 PolarHBondContact O-N 3.05Å; R851-E855 VanDerWaalsContact O-N 3.08Å; K852-E855 PolarHBondContact O-N 3Å; Q853-E855 PolarHBondContact O-N 2.88Å; E855-K858 PolarHBondContact O-N 3.32Å; E855-R859 WeakPolarHBondContact O-CG 3.26Å; E855-R859 PolarHBondContact O-N 3.46Å; E855-R859 IonicContact OE1-CZ 2.8Å; E855-R859 IonicContact OE1-NH1 3.98Å; E855-R859 PolarHBondContact OE1-NH1 3.43Å
856E95.4Very high94.8Very high105 Ų105101.8 Ų101.849%0.49149%0.488SS..Hα-helixtrans-66.3-46177.5-176.4164.2-151.500112.3K852 Q853 K858 R859 I860K852-E856 WeakPolarHBondContact O-CB 3.07Å; K852-E856 PolarHBondContact O-N 3.39Å; Q853-E856 PolarHBondContact O-N 3.2Å; E856-K858 VanDerWaalsContact C-N 3.29Å; E856-K858 PolarHBondContact O-N 3.11Å; E856-R859 PolarHBondContact O-N 3.08Å; E856-R859 VanDerWaalsContact O-N 3.16Å; E856-I860 HydrophobicContact CG-CD1 4.01Å; E856-I860 WeakPolarHBondContact O-CG1 3.43Å; E856-I860 PolarHBondContact O-N 2.9Å
857E94.8Very high94.5Very high128 Ų128101.3 Ų101.360%0.59848%0.479SS*.Hα-helixtrans-55.7-44.7172.7-176-174.7-178.800111Q853 I860 N861Q853-E857 WeakPolarHBondContact O-CB 3.47Å; Q853-E857 PolarHBondContact O-N 3.31Å; E857-I860 PolarHBondContact O-N 3.04Å; E857-N861 VanDerWaalsContact O-CB 3.25Å; E857-N861 WeakPolarHBondContact O-CB 3.32Å; E857-N861 PolarHBondContact O-N 2.86Å
858K95.5Very high94.5Very high132 Ų132101 Ų10157%0.57448%0.478SS*.Hα-helixtrans-60.5-47.4176.1-175.8-173.9173.1-169.40111.7L854 E855 E856 I860 N861 D862L854-K858 WeakPolarHBondContact O-CB 3.38Å; L854-K858 PolarHBondContact O-N 3.27Å; L854-K858 VanDerWaalsContact O-N 3.11Å; E855-K858 PolarHBondContact O-N 3.32Å; E856-K858 VanDerWaalsContact C-N 3.29Å; E856-K858 PolarHBondContact O-N 3.11Å; K858-I860 PolarHBondContact O-N 2.97Å; K858-N861 PolarHBondContact O-N 2.92Å; K858-D862 WeakPolarHBondContact CE-OD2 3.43Å; K858-D862 PolarHBondContact O-N 3.28Å
859R95.5Very high94.2Very high141 Ų141101.5 Ų101.553%0.53248%0.479SS..Hα-helixtrans-59.7-44.7179-71.2-170.7-54.2-122.94.2111.6E855 E856 D862 E863E855-R859 WeakPolarHBondContact O-CG 3.26Å; E855-R859 PolarHBondContact O-N 3.46Å; E855-R859 IonicContact OE1-CZ 2.8Å; E855-R859 IonicContact OE1-NH1 3.98Å; E855-R859 PolarHBondContact OE1-NH1 3.43Å; E856-R859 PolarHBondContact O-N 3.08Å; E856-R859 VanDerWaalsContact O-N 3.16Å; R859-D862 PolarHBondContact O-N 2.94Å; R859-E863 PolarHBondContact O-N 2.89Å
860I95.4Very high94.1Very high88 Ų88104 Ų10445%0.45149%0.485SS..Hα-helixtrans-63-44.5177-66.7166.4000110.9E856 E857 K858 D862 E863 I864E856-I860 HydrophobicContact CG-CD1 4.01Å; E856-I860 WeakPolarHBondContact O-CG1 3.43Å; E856-I860 PolarHBondContact O-N 2.9Å; E857-I860 PolarHBondContact O-N 3.04Å; K858-I860 PolarHBondContact O-N 2.97Å; I860-D862 PolarHBondContact O-N 3.46Å; I860-E863 PolarHBondContact O-N 3.16Å; I860-I864 HydrophobicContact CG2-CD1 3.82Å; I860-I864 HydrophobicContact CG2-CG1 4.48Å; I860-I864 VanDerWaalsContact O-CG1 3.29Å; I860-I864 WeakPolarHBondContact O-CG1 2.9Å; I860-I864 PolarHBondContact O-N 3.37Å
861N95.2Very high93.9Very high77 Ų77103.6 Ų103.641%0.41249%0.488SS..Hα-helixtrans-62.6-40.4178.3-174.320.1000112.3E857 K858 I864 K865E857-N861 VanDerWaalsContact O-CB 3.25Å; E857-N861 WeakPolarHBondContact O-CB 3.32Å; E857-N861 PolarHBondContact O-N 2.86Å; K858-N861 PolarHBondContact O-N 2.92Å; N861-I864 PolarHBondContact O-N 3.24Å; N861-K865 VanDerWaalsContact CG-CE 3.47Å; N861-K865 PolarHBondContact ND2-NZ 3.28Å; N861-K865 VanDerWaalsContact ND2-NZ 3.15Å; N861-K865 WeakPolarHBondContact O-CE 3.36Å; N861-K865 WeakPolarHBondContact O-CG 3.28Å; N861-K865 PolarHBondContact O-N 2.69Å; N861-K865 WeakPolarHBondContact OD1-CE 3.38Å
862D92.7Very high93.8Very high69 Ų69101.4 Ų101.437%0.36949%0.487SS..Hα-helixtrans-72-33.3177.7-68-20.9000112K858 R859 I860 K865 A866K858-D862 WeakPolarHBondContact CE-OD2 3.43Å; K858-D862 PolarHBondContact O-N 3.28Å; R859-D862 PolarHBondContact O-N 2.94Å; I860-D862 PolarHBondContact O-N 3.46Å; D862-K865 PolarHBondContact O-N 3.4Å; D862-K865 IonicContact OD1-NZ 3.45Å; D862-K865 PolarHBondContact OD1-NZ 3.02Å; D862-A866 WeakPolarHBondContact O-CB 3.29Å; D862-A866 PolarHBondContact O-N 3.47Å
863E92Very high93.6Very high132 Ų13298.4 Ų98.462%0.61748%0.475SS*.Hα-helixtrans-66.3-40.8169.4-177.1171.6-166.200112.6R859 I860 K865 A866 T867R859-E863 PolarHBondContact O-N 2.89Å; I860-E863 PolarHBondContact O-N 3.16Å; E863-K865 VanDerWaalsContact C-N 3.35Å; E863-K865 PolarHBondContact O-N 2.93Å; E863-A866 PolarHBondContact O-N 3.47Å; E863-T867 HydrophobicContact CG-CG2 4.4Å; E863-T867 WeakPolarHBondContact O-CB 3.39Å; E863-T867 WeakPolarHBondContact O-CG2 3.44Å; E863-T867 PolarHBondContact O-N 3.45Å; E863-T867 PolarHBondContact O-OG1 3.49Å
864I95.4Very high93.4Very high79 Ų7994.3 Ų94.341%0.40546%0.463SS..Hα-helixtrans-61.3-43175-71.1167.1000110.6I860 N861 T867 Q868I860-I864 HydrophobicContact CG2-CD1 3.82Å; I860-I864 HydrophobicContact CG2-CG1 4.48Å; I860-I864 VanDerWaalsContact O-CG1 3.29Å; I860-I864 WeakPolarHBondContact O-CG1 2.9Å; I860-I864 PolarHBondContact O-N 3.37Å; N861-I864 PolarHBondContact O-N 3.24Å; I864-T867 WeakPolarHBondContact CA-OG1 3.43Å; I864-T867 PolarHBondContact O-N 3.25Å; I864-T867 PolarHBondContact O-OG1 2.89Å; I864-Q868 HydrophobicContact CG2-CG 4.44Å; I864-Q868 WeakPolarHBondContact O-CB 3.49Å; I864-Q868 VanDerWaalsContact O-CG 3.28Å; I864-Q868 WeakPolarHBondContact O-CG 3.45Å; I864-Q868 PolarHBondContact O-N 2.99Å
865K93.9Very high93.2Very high97 Ų9793.7 Ų93.742%0.42247%0.473SS..Hα-helixtrans-62-46.3174.5-67.9163.6-153.1156.50111.8N861 D862 E863 T867 Q868 H869N861-K865 VanDerWaalsContact CG-CE 3.47Å; N861-K865 PolarHBondContact ND2-NZ 3.28Å; N861-K865 VanDerWaalsContact ND2-NZ 3.15Å; N861-K865 WeakPolarHBondContact O-CE 3.36Å; N861-K865 WeakPolarHBondContact O-CG 3.28Å; N861-K865 PolarHBondContact O-N 2.69Å; N861-K865 WeakPolarHBondContact OD1-CE 3.38Å; D862-K865 PolarHBondContact O-N 3.4Å; D862-K865 IonicContact OD1-NZ 3.45Å; D862-K865 PolarHBondContact OD1-NZ 3.02Å; E863-K865 VanDerWaalsContact C-N 3.35Å; E863-K865 PolarHBondContact O-N 2.93Å; K865-T867 PolarHBondContact O-N 3.46Å; K865-Q868 PolarHBondContact O-N 3.39Å; K865-H869 WeakPolarHBondContact O-CB 3.46Å; K865-H869 PolarHBondContact O-N 2.69Å
866A90.8Very high93Very high50 Ų5091.6 Ų91.641%0.41347%0.469SS..Hα-helixtrans-64.1-38.6-179.300000112.5D862 E863 R870D862-A866 WeakPolarHBondContact O-CB 3.29Å; D862-A866 PolarHBondContact O-N 3.47Å; E863-A866 PolarHBondContact O-N 3.47Å; A866-R870 WeakPolarHBondContact O-CB 3.38Å; A866-R870 PolarHBondContact O-N 3.05Å; A866-R870 VanDerWaalsContact O-N 3.07Å
867T91.2Very high92.8Very high51 Ų5188.1 Ų88.131%0.31345%0.454SS..Hα-helixtrans-73-39.6176.450.70000112.4E863 I864 K865 R870 L871E863-T867 HydrophobicContact CG-CG2 4.4Å; E863-T867 WeakPolarHBondContact O-CB 3.39Å; E863-T867 WeakPolarHBondContact O-CG2 3.44Å; E863-T867 PolarHBondContact O-N 3.45Å; E863-T867 PolarHBondContact O-OG1 3.49Å; I864-T867 WeakPolarHBondContact CA-OG1 3.43Å; I864-T867 PolarHBondContact O-N 3.25Å; I864-T867 PolarHBondContact O-OG1 2.89Å; K865-T867 PolarHBondContact O-N 3.46Å; T867-R870 PolarHBondContact O-N 3Å; T867-L871 WeakPolarHBondContact O-CG 3.49Å; T867-L871 PolarHBondContact O-N 2.75Å
868Q93.7Very high92.6Very high123 Ų12383 Ų8358%0.57543%0.432SS*.Hα-helixtrans-61-45171.3-75.8-179.82.800112.1I864 K865 R870 L871 L872I864-Q868 HydrophobicContact CG2-CG 4.44Å; I864-Q868 WeakPolarHBondContact O-CB 3.49Å; I864-Q868 VanDerWaalsContact O-CG 3.28Å; I864-Q868 WeakPolarHBondContact O-CG 3.45Å; I864-Q868 PolarHBondContact O-N 2.99Å; K865-Q868 PolarHBondContact O-N 3.39Å; Q868-R870 VanDerWaalsContact C-N 3.34Å; Q868-R870 PolarHBondContact O-N 2.92Å; Q868-L871 PolarHBondContact O-N 2.99Å; Q868-L872 PolarHBondContact O-N 3.49Å
869H91.1Very high92.3Very high91 Ų9182.3 Ų82.342%0.42144%0.441SS..Hα-helixtrans-58.1-46.7175.5-172.2-87.6000111.5K865 L871 L872 M873 E942K865-H869 WeakPolarHBondContact O-CB 3.46Å; K865-H869 PolarHBondContact O-N 2.69Å; H869-L871 VanDerWaalsContact C-N 3.34Å; H869-L871 PolarHBondContact O-N 3.03Å; H869-L872 PolarHBondContact O-N 3.22Å; H869-M873 WeakPolarHBondContact NE2-CE 3.43Å; H869-M873 WeakPolarHBondContact O-CG 3.41Å; H869-M873 PolarHBondContact O-N 3.2Å; H869-E942 IonicContact CE1-OE2 2.67Å
870R91.6Very high92Very high110 Ų11079.3 Ų79.342%0.41543%0.433SS..Hα-helixtrans-58.7-42.5177-169-176-60.3159.64112.4A866 T867 Q868 A874 S943A866-R870 WeakPolarHBondContact O-CB 3.38Å; A866-R870 PolarHBondContact O-N 3.05Å; A866-R870 VanDerWaalsContact O-N 3.07Å; T867-R870 PolarHBondContact O-N 3Å; Q868-R870 VanDerWaalsContact C-N 3.34Å; Q868-R870 PolarHBondContact O-N 2.92Å; R870-A874 WeakPolarHBondContact O-CB 3.38Å; R870-A874 PolarHBondContact O-N 3.31Å; R870-S943 WeakPolarHBondContact CD-O 3.28Å; R870-S943 VanDerWaalsContact CG-C 3.49Å; R870-S943 WeakPolarHBondContact CG-O 3.38Å
871L92.1Very high91.7Very high125 Ų12575.3 Ų75.365%0.65441%0.413SS*.Hα-helixtrans-68.3-40.5177.6-72.4170.8000112.5T867 Q868 H869 A874 A875T867-L871 WeakPolarHBondContact O-CG 3.49Å; T867-L871 PolarHBondContact O-N 2.75Å; Q868-L871 PolarHBondContact O-N 2.99Å; H869-L871 VanDerWaalsContact C-N 3.34Å; H869-L871 PolarHBondContact O-N 3.03Å; L871-A874 WeakPolarHBondContact O-CB 3.08Å; L871-A874 PolarHBondContact O-N 2.99Å; L871-A875 WeakPolarHBondContact O-CB 3.41Å; L871-A875 PolarHBondContact O-N 3.41Å
872L93.4Very high91.5Very high103 Ų10373.4 Ų73.454%0.53940%0.404SS..Hα-helixtrans-61.7-47.6176.2-174.2152.5000110.9Q868 H869 A874 A875 S876Q868-L872 PolarHBondContact O-N 3.49Å; H869-L872 PolarHBondContact O-N 3.22Å; L872-A874 VanDerWaalsContact C-N 3.33Å; L872-A874 PolarHBondContact O-N 3.44Å; L872-A875 PolarHBondContact O-N 3.01Å; L872-S876 PolarHBondContact O-N 2.96Å; L872-S876 PolarHBondContact O-OG 3.39Å
873M92.4Very high91.2Very high30 Ų3073.9 Ų73.915%0.14841%0.41CS..Hα-helixtrans-64.6-36.4176.4-64.2-53.7177.600112.3H869 S876 M939 E942H869-M873 WeakPolarHBondContact NE2-CE 3.43Å; H869-M873 WeakPolarHBondContact O-CG 3.41Å; H869-M873 PolarHBondContact O-N 3.2Å; M873-S876 PolarHBondContact O-N 3.07Å; M873-M939 HydrophobicContact SD-CB 4.43Å; M873-M939 HydrophobicContact SD-CG 3.88Å; M873-M939 HydrophobicContact SD-SD 4.16Å; M873-E942 HydrophobicContact CB-CB 4.2Å; M873-E942 HydrophobicContact CG-CB 3.98Å
874A90.5Very high90.7Very high44 Ų4470.1 Ų70.136%0.36440%0.397SS..Hα-helixtrans-62.5-40.4173.600000112.8R870 L871 L872R870-A874 WeakPolarHBondContact O-CB 3.38Å; R870-A874 PolarHBondContact O-N 3.31Å; L871-A874 WeakPolarHBondContact O-CB 3.08Å; L871-A874 PolarHBondContact O-N 2.99Å; L872-A874 VanDerWaalsContact C-N 3.33Å; L872-A874 PolarHBondContact O-N 3.44Å
875A91.1Very high90Very high86 Ų8676.2 Ų76.271%0.71142%0.421SS*.Hα-helixtrans-74.4-24.3179.800000113.3L871 L872 L877L871-A875 WeakPolarHBondContact O-CB 3.41Å; L871-A875 PolarHBondContact O-N 3.41Å; L872-A875 PolarHBondContact O-N 3.01Å; A875-L877 VanDerWaalsContact C-N 3.29Å; A875-L877 PolarHBondContact O-N 3.35Å
876S89.7Confident89.7Confident62 Ų6273.6 Ų73.643%0.43441%0.413SS..THydrogen-bonded Turntrans-84.78.1176-62.70000114.5L872 M873L872-S876 PolarHBondContact O-N 2.96Å; L872-S876 PolarHBondContact O-OG 3.39Å; M873-S876 PolarHBondContact O-N 3.07Å
877L90.9Very high89.5Confident32 Ų3276.2 Ų76.217%0.16843%0.426CS..SBendtrans-81144.8177.9-72.2174.6000113.3A875 H936 M939 F940A875-L877 VanDerWaalsContact C-N 3.29Å; A875-L877 PolarHBondContact O-N 3.35Å; L877-H936 WeakPolarHBondContact CD2-O 3.26Å; L877-M939 HydrophobicContact CD2-CB 4.06Å; L877-F940 HydrophobicContact CD1-CB 4.31Å; L877-F940 HydrophobicContact CD1-CD2 3.92Å; L877-F940 HydrophobicContact CD2-CB 3.91Å
878P90Very high89.2Confident20 Ų2076.3 Ų76.313%0.1343%0.431CS..PPolyproline II helixtrans-61.8151.3168.430.1-38.4000111.1R926 F928 D932 H936P878-R926 PolarHBondContact O-NH2 3.14Å; P878-F928 HydrophobicContact CG-CD1 4.27Å; P878-D932 WeakPolarHBondContact CB-OD1 3.44Å; P878-D932 VanDerWaalsContact CG-OD1 3.28Å; P878-D932 WeakPolarHBondContact CG-OD1 3.4Å; P878-H936 HydrophobicContact CG-CB 3.99Å
879P88.9Confident88.9Confident119 Ų11970.6 Ų70.677%0.77341%0.406SS*.PPolyproline II helixtrans-63.1140.917627.6-34.7000111.1P881P879-P881 WeakPolarHBondContact O-CD 3.38Å
880E89.5Confident88.5Confident78 Ų7872.2 Ų72.236%0.36441%0.413SS..PPolyproline II helixtrans-74.4128.4-173.5-163.7167.7154.300112.1R926 R927E880-R926 VanDerWaalsContact OE2-CD 3.27Å; E880-R926 WeakPolarHBondContact OE2-CD 3.12Å; E880-R926 IonicContact OE2-CZ 3.39Å; E880-R926 IonicContact OE2-NE 3.51Å; E880-R926 IonicContact OE2-NH1 2.73Å; E880-R926 PolarHBondContact OE2-NH1 3.34Å; E880-R927 HydrophobicContact CG-CB 3.82Å; E880-R927 IonicContact OE1-CZ 3.16Å; E880-R927 PolarHBondContact OE1-N 2.84Å; E880-R927 IonicContact OE1-NE 2.76Å; E880-R927 PolarHBondContact OE1-NE 2.92Å; E880-R927 IonicContact OE1-NH2 2.75Å; E880-R927 PolarHBondContact OE1-NH2 3.08Å
881P90.7Very high88.3Confident4 Ų469.8 Ų69.83%0.02642%0.417CS..PPolyproline II helixtrans-63.7155.4177.3-24.634.4000113.7P879 F892 I902 R927 A929P879-P881 WeakPolarHBondContact O-CD 3.38Å; P881-F892 HydrophobicContact CB-CD1 4.26Å; P881-F892 HydrophobicContact CB-CE1 3.91Å; P881-F892 HydrophobicContact CB-CE2 4.25Å; P881-F892 HydrophobicContact CB-CZ 3.91Å; P881-F892 HydrophobicContact CG-CE1 4.16Å; P881-F892 HydrophobicContact CG-CE2 4.42Å; P881-F892 HydrophobicContact CG-CZ 3.86Å; P881-I902 HydrophobicContact CB-CB 4.49Å; P881-I902 HydrophobicContact CB-CD1 3.99Å; P881-I902 HydrophobicContact CB-CG1 3.9Å; P881-I902 HydrophobicContact CB-CG2 3.87Å; P881-I902 HydrophobicContact CG-CG2 4.39Å; P881-R927 PolarHBondContact O-NE 2.8Å; P881-R927 PolarHBondContact O-NH1 3.3Å; P881-A929 HydrophobicContact CG-CB 4.46Å
882P89.1Confident88.1Confident36 Ų3665.7 Ų65.723%0.23439%0.394CS..PPolyproline II helixtrans-60.1165.9177.7-25.937.4000114.1P884 A888 A889 F892 R927P882-P884 WeakPolarHBondContact O-CD 3.32Å; P882-A888 HydrophobicContact CB-CB 3.71Å; P882-A888 HydrophobicContact CG-CB 4.04Å; P882-A888 WeakPolarHBondContact CG-O 3.17Å; P882-A889 HydrophobicContact CB-CB 4.25Å; P882-F892 HydrophobicContact CG-CB 4.01Å; P882-F892 HydrophobicContact CG-CG 4.48Å; P882-R927 VanDerWaalsContact C-NH1 3.32Å
883T86.4Confident87.6Confident79 Ų7964.7 Ų64.749%0.48539%0.389SS..PPolyproline II helixtrans-67.6124.9-178.5-49.60000110.1T886 A889 R927T883-T886 HydrophobicContact CG2-CG2 4.3Å; T883-T886 WeakPolarHBondContact O-CB 3.48Å; T883-T886 WeakPolarHBondContact O-CG2 3.28Å; T883-T886 PolarHBondContact O-N 3.25Å; T883-T886 PolarHBondContact O-OG1 2.89Å; T883-A889 VanDerWaalsContact O-CB 3.31Å; T883-A889 WeakPolarHBondContact O-CB 3.41Å; T883-R927 PolarHBondContact OG1-NH1 2.87Å
884P82.5Confident87.2Confident54 Ų5468.2 Ų68.235%0.35142%0.416SS..THydrogen-bonded Turntrans-51.5143.2175.9-28.135.5000111.9P882 T886 I902P882-P884 WeakPolarHBondContact O-CD 3.32Å; P884-T886 VanDerWaalsContact C-N 3.35Å; P884-I902 HydrophobicContact CG-CG2 4.19Å
885K81.6Confident86.9Confident206 Ų20668.7 Ų68.790%0.89641%0.414SS*.THydrogen-bonded Turntrans63.833.4-175.2-46.8175.8-176.2177.60114.1
886T86.8Confident86.5Confident43 Ų4369.9 Ų69.926%0.26442%0.415SS..SBendtrans-121.1156.3165.766.10000110.4T883 P884 A888 A889 E890T883-T886 HydrophobicContact CG2-CG2 4.3Å; T883-T886 WeakPolarHBondContact O-CB 3.48Å; T883-T886 WeakPolarHBondContact O-CG2 3.28Å; T883-T886 PolarHBondContact O-N 3.25Å; T883-T886 PolarHBondContact O-OG1 2.89Å; P884-T886 VanDerWaalsContact C-N 3.35Å; T886-A888 PolarHBondContact O-N 3.23Å; T886-A888 VanDerWaalsContact O-N 3.12Å; T886-A889 WeakPolarHBondContact O-CA 3.36Å; T886-A889 WeakPolarHBondContact O-CB 3.49Å; T886-A889 PolarHBondContact O-N 2.64Å; T886-E890 PolarHBondContact O-N 3.33Å
887P85.5Confident86.1Confident105 Ų10571.9 Ų71.968%0.68242%0.421SS*.Hα-helixtrans-57.5-29.6179.7-26.735.6000113.8A889 E890 A891P887-A889 VanDerWaalsContact C-N 3.33Å; P887-A889 PolarHBondContact O-N 3.02Å; P887-E890 PolarHBondContact O-N 3.1Å; P887-A891 PolarHBondContact O-N 2.83Å; P887-A891 VanDerWaalsContact O-N 3.11Å
888A86.9Confident85.8Confident52 Ų5270.4 Ų70.443%0.4341%0.414SS..Hα-helixtrans-67.7-31.5174.600000112.6P882 T886 F892P882-A888 HydrophobicContact CB-CB 3.71Å; P882-A888 HydrophobicContact CG-CB 4.04Å; P882-A888 WeakPolarHBondContact CG-O 3.17Å; T886-A888 PolarHBondContact O-N 3.23Å; T886-A888 VanDerWaalsContact O-N 3.12Å; A888-F892 WeakPolarHBondContact O-CB 3.33Å; A888-F892 PolarHBondContact O-N 3.07Å
889A85.6Confident85.5Confident4 Ų474.3 Ų74.33%0.03344%0.437CS..Hα-helixtrans-72.6-37.2174.100000111.8P882 T883 T886 P887 A891 F892 L893 I902P882-A889 HydrophobicContact CB-CB 4.25Å; T883-A889 VanDerWaalsContact O-CB 3.31Å; T883-A889 WeakPolarHBondContact O-CB 3.41Å; T886-A889 WeakPolarHBondContact O-CA 3.36Å; T886-A889 WeakPolarHBondContact O-CB 3.49Å; T886-A889 PolarHBondContact O-N 2.64Å; P887-A889 VanDerWaalsContact C-N 3.33Å; P887-A889 PolarHBondContact O-N 3.02Å; A889-A891 VanDerWaalsContact C-N 3.32Å; A889-A891 PolarHBondContact O-N 2.73Å; A889-F892 PolarHBondContact O-N 3.3Å; A889-F892 VanDerWaalsContact O-N 3.15Å; A889-L893 WeakPolarHBondContact O-CB 3.38Å; A889-L893 VanDerWaalsContact O-CG 3.23Å; A889-L893 WeakPolarHBondContact O-CG 3.49Å; A889-L893 PolarHBondContact O-N 3.39Å; A889-I902 HydrophobicContact CB-CD1 3.88Å
890E84.4Confident85.5Confident125 Ų12572 Ų7258%0.58442%0.418SS*.Hα-helixtrans-62.3-40.6174.1-65.5170.1179.300111.3T886 P887 S894T886-E890 PolarHBondContact O-N 3.33Å; P887-E890 PolarHBondContact O-N 3.1Å; E890-S894 PolarHBondContact O-N 3.19Å; E890-S894 PolarHBondContact O-OG 3.33Å
891A86.1Confident85.5Confident59 Ų5968.9 Ų68.949%0.48841%0.407SS..Hα-helixtrans-63.7-42170.600000112.5P887 A889 S894P887-A891 PolarHBondContact O-N 2.83Å; P887-A891 VanDerWaalsContact O-N 3.11Å; A889-A891 VanDerWaalsContact C-N 3.32Å; A889-A891 PolarHBondContact O-N 2.73Å; A891-S894 WeakPolarHBondContact O-CB 3.34Å; A891-S894 PolarHBondContact O-N 3.06Å
892F87.6Confident85.6Confident38 Ų3869.3 Ų69.317%0.16741%0.409CS..Hα-helixtrans-65.3-43177.7179.6-91.8000112.9P881 P882 A888 A889 S894 T895 N897 G898 I902 A929P881-F892 HydrophobicContact CB-CD1 4.26Å; P881-F892 HydrophobicContact CB-CE1 3.91Å; P881-F892 HydrophobicContact CB-CE2 4.25Å; P881-F892 HydrophobicContact CB-CZ 3.91Å; P881-F892 HydrophobicContact CG-CE1 4.16Å; P881-F892 HydrophobicContact CG-CE2 4.42Å; P881-F892 HydrophobicContact CG-CZ 3.86Å; P882-F892 HydrophobicContact CG-CB 4.01Å; P882-F892 HydrophobicContact CG-CG 4.48Å; A888-F892 WeakPolarHBondContact O-CB 3.33Å; A888-F892 PolarHBondContact O-N 3.07Å; A889-F892 PolarHBondContact O-N 3.3Å; A889-F892 VanDerWaalsContact O-N 3.15Å; F892-S894 PolarHBondContact O-N 3.11Å; F892-T895 WeakPolarHBondContact O-CB 3.48Å; F892-T895 PolarHBondContact O-N 3.12Å; F892-T895 PolarHBondContact O-OG1 3.45Å; F892-N897 HydrophobicContact CZ-CB 4.42Å; F892-G898 VanDerWaalsContact CE1-CA 3.46Å; F892-I902 HydrophobicContact CD1-CD1 3.73Å; F892-I902 HydrophobicContact CD1-CG1 3.65Å; F892-I902 HydrophobicContact CE1-CD1 4.28Å; F892-I902 HydrophobicContact CE1-CG1 3.74Å; F892-I902 HydrophobicContact CG-CD1 4.47Å; F892-A929 HydrophobicContact CE1-CB 4.44Å; F892-A929 HydrophobicContact CZ-CB 4.08Å
893L84.2Confident85.7Confident83 Ų8367.6 Ų67.644%0.43540%0.398SS..Hα-helixtrans-61.9-20.8175-67.7171.2000112.6A889 T895 G898 I902A889-L893 WeakPolarHBondContact O-CB 3.38Å; A889-L893 VanDerWaalsContact O-CG 3.23Å; A889-L893 WeakPolarHBondContact O-CG 3.49Å; A889-L893 PolarHBondContact O-N 3.39Å; L893-T895 VanDerWaalsContact C-N 3.31Å; L893-G898 WeakPolarHBondContact CD2-O 3.35Å; L893-I902 HydrophobicContact CD2-CG1 4.36Å
894S83.2Confident86.1Confident104 Ų10465.1 Ų65.173%0.72738%0.383SS*.THydrogen-bonded Turntrans-84.2-0.3173.2-53.20000113.6E890 A891 F892E890-S894 PolarHBondContact O-N 3.19Å; E890-S894 PolarHBondContact O-OG 3.33Å; A891-S894 WeakPolarHBondContact O-CB 3.34Å; A891-S894 PolarHBondContact O-N 3.06Å; F892-S894 PolarHBondContact O-N 3.11Å
895T85.1Confident86.6Confident53 Ų5362.6 Ų62.633%0.32537%0.366SS..SBendtrans-98.2155.8177.3720000111.4F892 L893 N897 G898F892-T895 WeakPolarHBondContact O-CB 3.48Å; F892-T895 PolarHBondContact O-N 3.12Å; F892-T895 PolarHBondContact O-OG1 3.45Å; L893-T895 VanDerWaalsContact C-N 3.31Å; T895-N897 PolarHBondContact O-N 3.17Å; T895-N897 VanDerWaalsContact O-N 3.1Å; T895-G898 PolarHBondContact O-N 2.66Å; T895-G898 PolarHBondContact OG1-N 2.78Å
896P82.7Confident87.2Confident111 Ų11156.8 Ų56.872%0.72134%0.339SS*.G310 helixtrans-55-29.3177.1-2836.3000114.7V899P896-V899 WeakPolarHBondContact O-CG2 3.43Å
897N80Confident87.5Confident105 Ų10554.8 Ų54.856%0.56133%0.326SS*.G310 helixtrans-79-24.7179.4-63.526.5000112.2F892 T895 S931F892-N897 HydrophobicContact CZ-CB 4.42Å; T895-N897 PolarHBondContact O-N 3.17Å; T895-N897 VanDerWaalsContact O-N 3.1Å; N897-S931 PolarHBondContact O-OG 3.07Å
898G84.4Confident87.7Confident1 Ų154.7 Ų54.71%0.0131%0.312CS..G310 helixtrans-92.21-176.900000115.4F892 L893 T895 D900 G901F892-G898 VanDerWaalsContact CE1-CA 3.46Å; L893-G898 WeakPolarHBondContact CD2-O 3.35Å; T895-G898 PolarHBondContact O-N 2.66Å; T895-G898 PolarHBondContact OG1-N 2.78Å; G898-D900 VanDerWaalsContact C-N 3.27Å; G898-D900 PolarHBondContact O-N 2.68Å; G898-G901 WeakPolarHBondContact O-CA 3.46Å; G898-G901 PolarHBondContact O-N 3.26Å
899V85.4Confident87.8Confident102 Ų10252.9 Ų52.962%0.61830%0.295SS*.THydrogen-bonded Turntrans-58.7-37.1-177.4-61.40000113P896 G901P896-V899 WeakPolarHBondContact O-CG2 3.43Å; V899-G901 PolarHBondContact O-N 3.42Å
900D88.7Confident87.7Confident69 Ų6953 Ų5337%0.36930%0.296SS..THydrogen-bonded Turntrans-82.47.2177.8-64-33.9000112.9G898 G930 S931 A972G898-D900 VanDerWaalsContact C-N 3.27Å; G898-D900 PolarHBondContact O-N 2.68Å; D900-G930 VanDerWaalsContact CB-C 3.44Å; D900-S931 WeakPolarHBondContact OD2-CA 3.45Å; D900-S931 VanDerWaalsContact OD2-CB 3.29Å; D900-S931 WeakPolarHBondContact OD2-CB 3.4Å; D900-A972 HydrophobicContact CB-CB 3.93Å
901G89.2Confident87.2Confident14 Ų1452 Ų5214%0.14430%0.3CS..  trans85.8-168-178.600000114.7G898 V899 G930G898-G901 WeakPolarHBondContact O-CA 3.46Å; G898-G901 PolarHBondContact O-N 3.26Å; V899-G901 PolarHBondContact O-N 3.42Å; G901-G930 PolarHBondContact O-N 3.3Å
902I92.1Very high86.2Confident13 Ų1355 Ų557%0.06730%0.304CS..EExtended strand (participates in β ladder)trans-119.8126.7173-60.7171.4000107P881 P884 A889 F892 L893 R927P881-I902 HydrophobicContact CB-CB 4.49Å; P881-I902 HydrophobicContact CB-CD1 3.99Å; P881-I902 HydrophobicContact CB-CG1 3.9Å; P881-I902 HydrophobicContact CB-CG2 3.87Å; P881-I902 HydrophobicContact CG-CG2 4.39Å; P884-I902 HydrophobicContact CG-CG2 4.19Å; A889-I902 HydrophobicContact CB-CD1 3.88Å; F892-I902 HydrophobicContact CD1-CD1 3.73Å; F892-I902 HydrophobicContact CD1-CG1 3.65Å; F892-I902 HydrophobicContact CE1-CD1 4.28Å; F892-I902 HydrophobicContact CE1-CG1 3.74Å; F892-I902 HydrophobicContact CG-CD1 4.47Å; L893-I902 HydrophobicContact CD2-CG1 4.36Å; I902-R927 HydrophobicContact CG2-CB 4.33Å; I902-R927 HydrophobicContact CG2-CG 4.39Å
903T92.5Very high84.9Confident0 Ų054.4 Ų54.40%030%0.304CS..EExtended strand (participates in β ladder)trans-97.1142.5166.6177.90000111.5L905 R927 F928 L971 L976 P978T903-L905 HydrophobicContact CG2-CG 4.37Å; T903-L905 WeakPolarHBondContact OG1-CD2 3.31Å; T903-R927 VanDerWaalsContact O-CA 3.23Å; T903-R927 WeakPolarHBondContact O-CA 3.33Å; T903-F928 HydrophobicContact CG2-CB 3.84Å; T903-F928 PolarHBondContact N-O 3.13Å; T903-F928 PolarHBondContact O-N 3.07Å; T903-L971 HydrophobicContact CG2-CB 4.05Å; T903-L971 HydrophobicContact CG2-CD1 3.65Å; T903-L971 HydrophobicContact CG2-CG 4.49Å; T903-L976 WeakPolarHBondContact CB-O 3.32Å; T903-L976 PolarHBondContact OG1-O 2.91Å; T903-P978 CarbonylContact C-O 3.59Å; T903-P978 WeakPolarHBondContact CA-O 3.43Å
904T93.5Very high83.5Confident27 Ų2753.8 Ų53.817%0.16631%0.307CS..EExtended strand (participates in β ladder)trans-109.6105.8166.6-55.50000108.9I925 R927 P978 Q979 E980T904-I925 HydrophobicContact CG2-CG2 3.6Å; T904-R927 HydrophobicContact CG2-CG 4.35Å; T904-P978 PolarHBondContact N-O 3.43Å; T904-Q979 WeakPolarHBondContact O-CA 3.38Å; T904-Q979 WeakPolarHBondContact O-CG 3.4Å; T904-E980 PolarHBondContact O-N 3.28Å
905L94Very high82.2Confident0 Ų056 Ų560%031%0.311CS..EExtended strand (participates in β ladder)trans-91.2125.7177.7-61.5-177.2000110.3T903 F907 I925 R926 F928 V937 L971 L976 E980 L982T903-L905 HydrophobicContact CG2-CG 4.37Å; T903-L905 WeakPolarHBondContact OG1-CD2 3.31Å; L905-F907 HydrophobicContact CB-CD2 4.49Å; L905-F907 HydrophobicContact CB-CE2 3.68Å; L905-F907 HydrophobicContact CB-CZ 3.89Å; L905-F907 HydrophobicContact CD1-CZ 4.12Å; L905-I925 WeakPolarHBondContact O-CA 3.22Å; L905-R926 PolarHBondContact N-O 3.35Å; L905-R926 PolarHBondContact O-N 3.28Å; L905-F928 HydrophobicContact CD1-CD2 3.73Å; L905-F928 HydrophobicContact CD1-CE2 3.82Å; L905-F928 HydrophobicContact CG-CD2 4.14Å; L905-F928 HydrophobicContact CG-CE2 4.45Å; L905-V937 HydrophobicContact CD1-CG1 4.28Å; L905-V937 HydrophobicContact CD1-CG2 3.73Å; L905-L971 HydrophobicContact CD1-CD1 4.31Å; L905-L976 HydrophobicContact CD2-CB 4.14Å; L905-E980 HydrophobicContact CD2-CB 4.32Å; L905-L982 HydrophobicContact CD1-CD1 4.05Å; L905-L982 HydrophobicContact CD2-CD1 4.32Å
906R93.2Very high80.9Confident85 Ų8556.9 Ų56.932%0.32131%0.313SS..EExtended strand (participates in β ladder)trans-104.9116.8170.5176.1-171.7-65.5-85.30.8109.2T923 M924 I925 E980 T981 L982R906-T923 HydrophobicContact CG-CG2 4.18Å; R906-T923 PolarHBondContact NH1-OG1 2.8Å; R906-T923 VanDerWaalsContact NH1-OG1 3.07Å; R906-M924 CarbonylContact C-O 3.58Å; R906-M924 WeakPolarHBondContact CA-O 3.43Å; R906-I925 HydrophobicContact CB-CG1 4.34Å; R906-I925 HydrophobicContact CG-CG1 4.27Å; R906-E980 PolarHBondContact N-O 2.74Å; R906-T981 HydrophobicContact CB-CG2 4.42Å; R906-T981 HydrophobicContact CG-CG2 4.26Å; R906-T981 CarbonylContact O-C 3.55Å; R906-T981 VanDerWaalsContact O-CA 3.3Å; R906-T981 WeakPolarHBondContact O-CA 3.42Å; R906-L982 PolarHBondContact O-N 3.1Å
907F93Very high79.8Confident0 Ų057.5 Ų57.50%032%0.317CS..EExtended strand (participates in β ladder)trans-96.3120.6177-52.6-104.8000108.9L905 T923 M924 R926 F928 V937 F940 L953 L982 L984L905-F907 HydrophobicContact CB-CD2 4.49Å; L905-F907 HydrophobicContact CB-CE2 3.68Å; L905-F907 HydrophobicContact CB-CZ 3.89Å; L905-F907 HydrophobicContact CD1-CZ 4.12Å; F907-T923 CarbonylContact O-C 3.54Å; F907-T923 WeakPolarHBondContact O-CA 3.29Å; F907-T923 WeakPolarHBondContact O-CB 3.37Å; F907-M924 HydrophobicContact CB-CE 3.88Å; F907-M924 HydrophobicContact CB-CG 3.74Å; F907-M924 HydrophobicContact CD1-CE 4.11Å; F907-M924 HydrophobicContact CD2-CE 4.11Å; F907-M924 HydrophobicContact CD2-CG 3.97Å; F907-M924 HydrophobicContact CG-CE 3.77Å; F907-M924 HydrophobicContact CG-CG 4.13Å; F907-M924 PolarHBondContact N-O 2.87Å; F907-M924 PolarHBondContact O-N 3.16Å; F907-R926 HydrophobicContact CE2-CB 4.29Å; F907-F928 HydrophobicContact CZ-CE2 4.38Å; F907-V937 HydrophobicContact CE1-CG1 3.6Å; F907-V937 HydrophobicContact CZ-CG1 3.78Å; F907-F940 HydrophobicContact CD2-CD1 4.46Å; F907-F940 AromaticContact CD2-CE1 3.95Å; F907-F940 HydrophobicContact CD2-CE1 3.95Å; F907-F940 HydrophobicContact CE1-CD1 4.45Å; F907-F940 AromaticContact CE2-CD1 3.78Å; F907-F940 HydrophobicContact CE2-CD1 3.78Å; F907-F940 AromaticContact CE2-CE1 3.59Å; F907-F940 HydrophobicContact CE2-CE1 3.59Å; F907-F940 AromaticContact CZ-CD1 3.78Å; F907-F940 HydrophobicContact CZ-CD1 3.78Å; F907-F940 HydrophobicContact CZ-CE1 4.08Å; F907-L953 HydrophobicContact CD1-CD1 3.91Å; F907-L953 HydrophobicContact CE1-CD1 4.18Å; F907-L982 CarbonylContact C-O 3.46Å; F907-L982 WeakPolarHBondContact CA-O 3.25Å; F907-L982 HydrophobicContact CD1-CB 4.26Å; F907-L982 HydrophobicContact CD1-CD1 4.25Å; F907-L982 HydrophobicContact CE1-CD1 3.82Å; F907-L982 HydrophobicContact CZ-CD1 4.3Å; F907-L984 HydrophobicContact CB-CD1 4.28Å; F907-L984 HydrophobicContact CD1-CD1 4.45Å
908R91.1Very high78.7Confident104 Ų10459.2 Ų59.239%0.39233%0.326SS..EExtended strand (participates in β ladder)trans-77.8126.5162.9-60.5-179-178.1116.3-0.5108.5T923 T956 T981 L982 T983 L984R908-T923 HydrophobicContact CG-CG2 4.1Å; R908-T956 PolarHBondContact NH1-OG1 2.97Å; R908-T981 HydrophobicContact CG-CG2 3.95Å; R908-L982 PolarHBondContact N-O 3.15Å; R908-T983 HydrophobicContact CB-CG2 4.21Å; R908-T983 PolarHBondContact NH1-OG1 3.1Å; R908-L984 WeakPolarHBondContact O-CB 3.5Å; R908-L984 PolarHBondContact O-N 2.78Å
909L88.8Confident77.5Confident13 Ų1360.6 Ų60.67%0.06834%0.335CS..PPolyproline II helixtrans-91.9156.5179-51.2179.1000110.4C913 V919 N922 M924 Y946 L984L909-C913 HydrophobicContact CB-CB 4.49Å; L909-V919 HydrophobicContact CD1-CG1 3.66Å; L909-V919 HydrophobicContact CD1-CG2 4.16Å; L909-N922 WeakPolarHBondContact CB-O 3.5Å; L909-N922 PolarHBondContact N-O 3.09Å; L909-N922 PolarHBondContact O-ND2 2.9Å; L909-M924 HydrophobicContact CD2-CE 4.07Å; L909-M924 HydrophobicContact CD2-CG 4.04Å; L909-M924 HydrophobicContact CD2-SD 4.21Å; L909-Y946 HydrophobicContact CD2-CE1 4.43Å; L909-Y946 HydrophobicContact CD2-CE2 3.95Å; L909-L984 HydrophobicContact CD2-CD1 3.73Å
910P82.3Confident76.2Confident8 Ų863.8 Ų63.85%0.05234%0.34CS..PPolyproline II helixtrans-60.4149170.2-21.833.2000112.1Q912 C913 N922 Y951P910-Q912 HydrophobicContact CB-CG 4.39Å; P910-Q912 PolarHBondContact O-N 3.18Å; P910-C913 WeakPolarHBondContact O-CB 3.43Å; P910-C913 PolarHBondContact O-N 2.95Å; P910-N922 PolarHBondContact O-ND2 3.22Å; P910-Y951 HydrophobicContact CG-CD1 4.18Å; P910-Y951 HydrophobicContact CG-CE1 3.9Å
911P74.2Confident75.2Confident103 Ų10369.1 Ų69.167%0.66936%0.362SS*.G310 helixtrans-61.7-30.6-176.223.3-32.4000113.4C913 S914P911-C913 PolarHBondContact O-N 3.05Å; P911-S914 PolarHBondContact O-OG 2.89Å
912Q65.5Low74.7Confident123 Ų12370.3 Ų70.358%0.57537%0.365SS*.G310 helixtrans-710.2175.862.9-91.333.300115.1P910P910-Q912 HydrophobicContact CB-CG 4.39Å; P910-Q912 PolarHBondContact O-N 3.18Å
913C59.8Low74.4Confident24 Ų2470.8 Ų70.816%0.16237%0.369CS..G310 helixtrans-10714.9-177.2-55.60000114L909 P910 P911 N915 Y946L909-C913 HydrophobicContact CB-CB 4.49Å; P910-C913 WeakPolarHBondContact O-CB 3.43Å; P910-C913 PolarHBondContact O-N 2.95Å; P911-C913 PolarHBondContact O-N 3.05Å; C913-N915 PolarHBondContact O-N 3.26Å; C913-N915 VanDerWaalsContact O-N 3.09Å; C913-Y946 HydrophobicContact CB-CE1 4.05Å
914S55.6Low74.3Confident71 Ų7171.8 Ų71.850%0.49737%0.374SS..THydrogen-bonded Turntrans-76.310.6-167.6530000116.8P911 N922P911-S914 PolarHBondContact O-OG 2.89Å; S914-N922 WeakPolarHBondContact CA-OD1 3.47Å; S914-N922 VanDerWaalsContact CB-OD1 3.25Å; S914-N922 WeakPolarHBondContact CB-OD1 3.43Å
915N55.4Low74.2Confident151 Ų15174.7 Ų74.781%0.80739%0.388SS*.THydrogen-bonded Turntrans-89.5-3.9-170.8-72.5-9.3000116C913 P917C913-N915 PolarHBondContact O-N 3.26Å; C913-N915 VanDerWaalsContact O-N 3.09Å; N915-P917 WeakPolarHBondContact O-CD 3.36Å
916D57.4Low74.1Confident71 Ų7176.3 Ų76.338%0.3839%0.394SS..  trans-83.4114.9172178.3-10.6000110.2N918 V919D916-N918 PolarHBondContact O-N 3.2Å; D916-N918 VanDerWaalsContact O-N 3.08Å; D916-N918 WeakPolarHBondContact OD1-CB 3.15Å; D916-N918 PolarHBondContact OD1-N 2.92Å; D916-V919 HydrophobicContact CB-CG2 3.78Å; D916-V919 WeakPolarHBondContact O-CB 3.45Å; D916-V919 PolarHBondContact O-N 3.24Å
917P60Low74.1Confident123 Ų12375 Ų7580%0.79939%0.389SS*.THydrogen-bonded Turntrans-65.7-11.4-176.227.6-35.7000114.7N915N915-P917 WeakPolarHBondContact O-CD 3.36Å
918N57.2Low74.2Confident142 Ų14275 Ų7576%0.75939%0.389SS*.THydrogen-bonded Turntrans-78.9-17.4170-83.4-59.8000113.5D916 K920D916-N918 PolarHBondContact O-N 3.2Å; D916-N918 VanDerWaalsContact O-N 3.08Å; D916-N918 WeakPolarHBondContact OD1-CB 3.15Å; D916-N918 PolarHBondContact OD1-N 2.92Å; N918-K920 PolarHBondContact O-N 3.34Å; N918-K920 VanDerWaalsContact O-N 3.08Å
919V59.7Low74.3Confident30 Ų3070.3 Ų70.318%0.18237%0.372CS..  trans-84.785.9-173.4-178.20000111.1L909 D916 H921L909-V919 HydrophobicContact CD1-CG1 3.66Å; L909-V919 HydrophobicContact CD1-CG2 4.16Å; D916-V919 HydrophobicContact CB-CG2 3.78Å; D916-V919 WeakPolarHBondContact O-CB 3.45Å; D916-V919 PolarHBondContact O-N 3.24Å; V919-H921 PolarHBondContact O-N 3.23Å
920K58.2Low74.4Confident168 Ų16869.7 Ų69.773%0.7337%0.369SS*.G310 helixtrans-71.7128.7171.8-67.6177.7-179.6175.20110.4N918 N922N918-K920 PolarHBondContact O-N 3.34Å; N918-K920 VanDerWaalsContact O-N 3.08Å; K920-N922 PolarHBondContact O-N 3.04Å
921H66.2Low74.8Confident181 Ų18171.1 Ų71.184%0.83838%0.379SS*.G310 helixtrans60.432.6179.5-64.276.4000115.6V919 T923V919-H921 PolarHBondContact O-N 3.23Å; H921-T923 PolarHBondContact O-N 2.89Å; H921-T923 VanDerWaalsContact O-N 3.1Å
922N79.5Confident75.7Confident39 Ų3967 Ų6721%0.20935%0.351CS..G310 helixtrans55.228.6179.7-131.958.1000113.9L909 P910 S914 K920L909-N922 WeakPolarHBondContact CB-O 3.5Å; L909-N922 PolarHBondContact N-O 3.09Å; L909-N922 PolarHBondContact O-ND2 2.9Å; P910-N922 PolarHBondContact O-ND2 3.22Å; S914-N922 WeakPolarHBondContact CA-OD1 3.47Å; S914-N922 VanDerWaalsContact CB-OD1 3.25Å; S914-N922 WeakPolarHBondContact CB-OD1 3.43Å; K920-N922 PolarHBondContact O-N 3.04Å
923T85.6Confident77.1Confident24 Ų2463.1 Ų63.115%0.14733%0.334CS..EExtended strand (participates in β ladder)trans-127.6139174.866.70000112R906 F907 R908 H921R906-T923 HydrophobicContact CG-CG2 4.18Å; R906-T923 PolarHBondContact NH1-OG1 2.8Å; R906-T923 VanDerWaalsContact NH1-OG1 3.07Å; F907-T923 CarbonylContact O-C 3.54Å; F907-T923 WeakPolarHBondContact O-CA 3.29Å; F907-T923 WeakPolarHBondContact O-CB 3.37Å; R908-T923 HydrophobicContact CG-CG2 4.1Å; H921-T923 PolarHBondContact O-N 2.89Å; H921-T923 VanDerWaalsContact O-N 3.1Å
924M89.6Confident78.7Confident21 Ų2162 Ų6210%0.10333%0.326CS..EExtended strand (participates in β ladder)trans-107.2155.416564.7177.9-178.700110.4R906 F907 L909 F940 K944 Y946 L984R906-M924 CarbonylContact C-O 3.58Å; R906-M924 WeakPolarHBondContact CA-O 3.43Å; F907-M924 HydrophobicContact CB-CE 3.88Å; F907-M924 HydrophobicContact CB-CG 3.74Å; F907-M924 HydrophobicContact CD1-CE 4.11Å; F907-M924 HydrophobicContact CD2-CE 4.11Å; F907-M924 HydrophobicContact CD2-CG 3.97Å; F907-M924 HydrophobicContact CG-CE 3.77Å; F907-M924 HydrophobicContact CG-CG 4.13Å; F907-M924 PolarHBondContact N-O 2.87Å; F907-M924 PolarHBondContact O-N 3.16Å; L909-M924 HydrophobicContact CD2-CE 4.07Å; L909-M924 HydrophobicContact CD2-CG 4.04Å; L909-M924 HydrophobicContact CD2-SD 4.21Å; M924-F940 HydrophobicContact CE-CD1 4.2Å; M924-F940 HydrophobicContact CE-CE1 3.69Å; M924-F940 HydrophobicContact CE-CZ 4.46Å; M924-F940 HydrophobicContact CG-CE1 4.3Å; M924-F940 HydrophobicContact SD-CE1 3.73Å; M924-F940 HydrophobicContact SD-CZ 3.95Å; M924-K944 HydrophobicContact CE-CB 4.32Å; M924-K944 HydrophobicContact CE-CG 4.41Å; M924-K944 HydrophobicContact SD-CB 3.99Å; M924-K944 HydrophobicContact SD-CG 3.76Å; M924-Y946 HydrophobicContact CE-CD2 4.18Å; M924-Y946 HydrophobicContact CE-CE2 4.42Å; M924-L984 HydrophobicContact CE-CD1 4.12Å
925I91.5Very high80.5Confident88 Ų8862.9 Ų62.945%0.45132%0.321SS..EExtended strand (participates in β ladder)trans-131.5138.3-178.3-56175.1000108.8T904 L905 R906T904-I925 HydrophobicContact CG2-CG2 3.6Å; L905-I925 WeakPolarHBondContact O-CA 3.22Å; R906-I925 HydrophobicContact CB-CG1 4.34Å; R906-I925 HydrophobicContact CG-CG1 4.27Å
926R93.2Very high82.4Confident34 Ų3457.7 Ų57.713%0.12829%0.292CS..EExtended strand (participates in β ladder)trans-145.2139174.5174.662.3-176.7-154.3-12.7109.6P878 E880 L905 F907 F928 F940P878-R926 PolarHBondContact O-NH2 3.14Å; E880-R926 VanDerWaalsContact OE2-CD 3.27Å; E880-R926 WeakPolarHBondContact OE2-CD 3.12Å; E880-R926 IonicContact OE2-CZ 3.39Å; E880-R926 IonicContact OE2-NE 3.51Å; E880-R926 IonicContact OE2-NH1 2.73Å; E880-R926 PolarHBondContact OE2-NH1 3.34Å; L905-R926 PolarHBondContact N-O 3.35Å; L905-R926 PolarHBondContact O-N 3.28Å; F907-R926 HydrophobicContact CE2-CB 4.29Å; R926-F928 HydrophobicContact CB-CE2 3.88Å; R926-F928 HydrophobicContact CB-CZ 4.35Å; R926-F928 HydrophobicContact CG-CD2 3.98Å; R926-F928 HydrophobicContact CG-CE1 4.17Å; R926-F928 HydrophobicContact CG-CE2 3.34Å; R926-F928 HydrophobicContact CG-CZ 3.47Å; R926-F928 VanDerWaalsContact CG-CZ 3.47Å; R926-F940 HydrophobicContact CB-CD1 4.06Å; R926-F940 HydrophobicContact CB-CD2 4.36Å; R926-F940 HydrophobicContact CB-CE1 3.6Å; R926-F940 HydrophobicContact CB-CE2 3.93Å; R926-F940 HydrophobicContact CB-CG 4.42Å; R926-F940 HydrophobicContact CB-CZ 3.54Å; R926-F940 HydrophobicContact CG-CD1 4.25Å; R926-F940 HydrophobicContact CG-CD2 3.98Å; R926-F940 HydrophobicContact CG-CE1 4.21Å; R926-F940 HydrophobicContact CG-CE2 3.94Å; R926-F940 HydrophobicContact CG-CG 4.15Å; R926-F940 HydrophobicContact CG-CZ 4.07Å
927R93.4Very high84.1Confident57 Ų5754.4 Ų54.422%0.21528%0.275CS..EExtended strand (participates in β ladder)trans-91.3150.3169.3-67.9157.7-68.4179.4-1.3111.3E880 P881 P882 T883 I902 T903 T904E880-R927 HydrophobicContact CG-CB 3.82Å; E880-R927 IonicContact OE1-CZ 3.16Å; E880-R927 PolarHBondContact OE1-N 2.84Å; E880-R927 IonicContact OE1-NE 2.76Å; E880-R927 PolarHBondContact OE1-NE 2.92Å; E880-R927 IonicContact OE1-NH2 2.75Å; E880-R927 PolarHBondContact OE1-NH2 3.08Å; P881-R927 PolarHBondContact O-NE 2.8Å; P881-R927 PolarHBondContact O-NH1 3.3Å; P882-R927 VanDerWaalsContact C-NH1 3.32Å; T883-R927 PolarHBondContact OG1-NH1 2.87Å; I902-R927 HydrophobicContact CG2-CB 4.33Å; I902-R927 HydrophobicContact CG2-CG 4.39Å; T903-R927 VanDerWaalsContact O-CA 3.23Å; T903-R927 WeakPolarHBondContact O-CA 3.33Å; T904-R927 HydrophobicContact CG2-CG 4.35Å
928F94.8Very high85.7Confident0 Ų048.8 Ų48.80%024%0.238CC..EExtended strand (participates in β ladder)trans-141.5156.9174.1-63.4-89000108.5P878 T903 L905 F907 R926 D932 H936 V937 F940 L971P878-F928 HydrophobicContact CG-CD1 4.27Å; T903-F928 HydrophobicContact CG2-CB 3.84Å; T903-F928 PolarHBondContact N-O 3.13Å; T903-F928 PolarHBondContact O-N 3.07Å; L905-F928 HydrophobicContact CD1-CD2 3.73Å; L905-F928 HydrophobicContact CD1-CE2 3.82Å; L905-F928 HydrophobicContact CG-CD2 4.14Å; L905-F928 HydrophobicContact CG-CE2 4.45Å; F907-F928 HydrophobicContact CZ-CE2 4.38Å; R926-F928 HydrophobicContact CB-CE2 3.88Å; R926-F928 HydrophobicContact CB-CZ 4.35Å; R926-F928 HydrophobicContact CG-CD2 3.98Å; R926-F928 HydrophobicContact CG-CE1 4.17Å; R926-F928 HydrophobicContact CG-CE2 3.34Å; R926-F928 HydrophobicContact CG-CZ 3.47Å; R926-F928 VanDerWaalsContact CG-CZ 3.47Å; F928-D932 WeakPolarHBondContact CA-OD2 3.17Å; F928-D932 HydrophobicContact CB-CB 4.08Å; F928-D932 WeakPolarHBondContact CB-OD2 3.41Å; F928-D932 HydrophobicContact CD1-CB 4.39Å; F928-H936 HydrophobicContact CD1-CB 4.23Å; F928-H936 HydrophobicContact CE1-CB 4Å; F928-V937 HydrophobicContact CE2-CG2 4.22Å; F928-V937 HydrophobicContact CZ-CG2 4.22Å; F928-F940 HydrophobicContact CE1-CB 4.48Å; F928-F940 HydrophobicContact CZ-CB 3.82Å; F928-F940 HydrophobicContact CZ-CD1 4.35Å; F928-F940 HydrophobicContact CZ-CG 4.1Å; F928-L971 HydrophobicContact CB-CD1 3.37Å; F928-L971 HydrophobicContact CD1-CD1 4.45Å; F928-L971 HydrophobicContact CD2-CD1 4.16Å; F928-L971 HydrophobicContact CG-CD1 3.79Å
929A93Very high87.4Confident5 Ų543.2 Ų43.24%0.04121%0.208CC..EExtended strand (participates in β ladder)trans-68.4153.7168.100000109.4P881 F892 S931 D932P881-A929 HydrophobicContact CG-CB 4.46Å; F892-A929 HydrophobicContact CE1-CB 4.44Å; F892-A929 HydrophobicContact CZ-CB 4.08Å; A929-S931 WeakPolarHBondContact CB-OG 3.41Å; A929-S931 PolarHBondContact O-N 3.3Å; A929-D932 PolarHBondContact N-OD2 3Å; A929-D932 WeakPolarHBondContact O-CB 3.47Å; A929-D932 PolarHBondContact O-N 2.93Å; A929-D932 VanDerWaalsContact O-N 3.15Å
930G90.8Very high89Confident0 Ų042.3 Ų42.30%020%0.201CC..THydrogen-bonded Turntrans-61.4-24.4169.600000112.8D900 G901 T970 L971 A972D900-G930 VanDerWaalsContact CB-C 3.44Å; G901-G930 PolarHBondContact O-N 3.3Å; G930-T970 WeakPolarHBondContact O-CB 3.46Å; G930-L971 PolarHBondContact O-N 2.76Å; G930-A972 WeakPolarHBondContact O-CB 3.4Å; G930-A972 PolarHBondContact O-N 2.8Å
931S91.2Very high90.6Very high38 Ų3834.3 Ų34.327%0.26617%0.166SC..THydrogen-bonded Turntrans-83.2-11177.557.50000114.3N897 D900 A929N897-S931 PolarHBondContact O-OG 3.07Å; D900-S931 WeakPolarHBondContact OD2-CA 3.45Å; D900-S931 VanDerWaalsContact OD2-CB 3.29Å; D900-S931 WeakPolarHBondContact OD2-CB 3.4Å; A929-S931 WeakPolarHBondContact CB-OG 3.41Å; A929-S931 PolarHBondContact O-N 3.3Å
932D93.3Very high91.9Very high16 Ų1627.1 Ų27.19%0.08613%0.133CC..SBendtrans-64.6147.4171.7-82.8-46.3000110.1P878 F928 A929 H936 T970 L971P878-D932 WeakPolarHBondContact CB-OD1 3.44Å; P878-D932 VanDerWaalsContact CG-OD1 3.28Å; P878-D932 WeakPolarHBondContact CG-OD1 3.4Å; F928-D932 WeakPolarHBondContact CA-OD2 3.17Å; F928-D932 HydrophobicContact CB-CB 4.08Å; F928-D932 WeakPolarHBondContact CB-OD2 3.41Å; F928-D932 HydrophobicContact CD1-CB 4.39Å; A929-D932 PolarHBondContact N-OD2 3Å; A929-D932 WeakPolarHBondContact O-CB 3.47Å; A929-D932 PolarHBondContact O-N 2.93Å; A929-D932 VanDerWaalsContact O-N 3.15Å; D932-H936 IonicContact OD1-CE1 2.7Å; D932-H936 PolarHBondContact OD1-CE1 3.18Å; D932-H936 IonicContact OD1-CG 3.73Å; D932-H936 IonicContact OD1-ND1 2.66Å; D932-H936 PolarHBondContact OD1-ND1 2.92Å; D932-T970 CarbonylContact O-C 3.59Å; D932-T970 VanDerWaalsContact O-CA 3.22Å; D932-T970 WeakPolarHBondContact O-CA 3.18Å; D932-L971 HydrophobicContact CB-CD1 4.04Å; D932-L971 WeakPolarHBondContact O-CG 3.43Å; D932-L971 PolarHBondContact O-N 2.87Å
933I94.4Very high92.5Very high42 Ų4225.9 Ų25.922%0.21513%0.128CC..BIsolated β-bridgetrans-91.7155.917862.3168.6000112.1K935 H936 N968 M969 T970I933-K935 HydrophobicContact CD1-CB 3.66Å; I933-K935 HydrophobicContact CG1-CB 3.92Å; I933-K935 PolarHBondContact O-N 2.83Å; I933-K935 VanDerWaalsContact O-N 3.07Å; I933-H936 VanDerWaalsContact O-CB 3.31Å; I933-H936 WeakPolarHBondContact O-CB 3.06Å; I933-H936 PolarHBondContact O-N 2.75Å; I933-N968 WeakPolarHBondContact CG2-O 3.47Å; I933-M969 CarbonylContact C-O 3.55Å; I933-M969 WeakPolarHBondContact CA-O 3.42Å; I933-T970 HydrophobicContact CG2-CG2 4.39Å
934L93.7Very high92.7Very high0 Ų029.7 Ų29.70%014%0.142CC..Hα-helixtrans-54.7-28.2178.4-176.361.2000113.3H936 V937 F938 L962 M965 E967 M969 L974L934-H936 VanDerWaalsContact C-N 3.26Å; L934-H936 PolarHBondContact O-N 2.76Å; L934-V937 HydrophobicContact CD1-CB 4.18Å; L934-V937 HydrophobicContact CD1-CG2 4.35Å; L934-V937 WeakPolarHBondContact O-CA 3.49Å; L934-V937 VanDerWaalsContact O-CB 3.25Å; L934-V937 WeakPolarHBondContact O-CB 3.27Å; L934-V937 PolarHBondContact O-N 3.21Å; L934-F938 HydrophobicContact CD1-CE2 4.46Å; L934-F938 HydrophobicContact CD1-CZ 4.35Å; L934-F938 HydrophobicContact CD2-CE2 3.97Å; L934-F938 HydrophobicContact CD2-CZ 4.1Å; L934-F938 HydrophobicContact CG-CD2 4.4Å; L934-F938 HydrophobicContact CG-CE2 3.71Å; L934-F938 HydrophobicContact CG-CZ 4Å; L934-F938 PolarHBondContact O-N 3.3Å; L934-L962 HydrophobicContact CD1-CB 4.23Å; L934-L962 HydrophobicContact CD1-CD1 4.18Å; L934-L962 HydrophobicContact CD2-CB 4.35Å; L934-M965 HydrophobicContact CD2-CB 3.96Å; L934-E967 CarbonylContact C-O 3.55Å; L934-E967 PolarHBondContact N-O 2.85Å; L934-M969 PolarHBondContact N-O 2.53Å; L934-L974 HydrophobicContact CB-CD1 3.88Å; L934-L974 HydrophobicContact CD1-CD1 4.07Å; L934-L974 HydrophobicContact CD2-CD1 3.99Å; L934-L974 HydrophobicContact CG-CD1 4.2Å
935K93.1Very high92.6Very high90 Ų9030.2 Ų30.239%0.39115%0.153SC..Hα-helixtrans-57.2-35.6171.5-160.2171.2-174.21720113.6I933 V937 F938 M939 E967I933-K935 HydrophobicContact CD1-CB 3.66Å; I933-K935 HydrophobicContact CG1-CB 3.92Å; I933-K935 PolarHBondContact O-N 2.83Å; I933-K935 VanDerWaalsContact O-N 3.07Å; K935-V937 PolarHBondContact O-N 3.24Å; K935-F938 PolarHBondContact O-N 3.44Å; K935-M939 HydrophobicContact CG-CE 4.43Å; K935-M939 WeakPolarHBondContact O-CG 3.45Å; K935-M939 PolarHBondContact O-N 2.73Å; K935-E967 HydrophobicContact CB-CB 3.98Å; K935-E967 HydrophobicContact CG-CB 4.39Å; K935-E967 PolarHBondContact N-O 2.82Å
936H94Very high92.6Very high43 Ų4327.2 Ų27.220%0.19914%0.136CC..Hα-helixtrans-64.7-27.9175.2-58.5163000111.5L877 P878 F928 D932 I933 L934 F940L877-H936 WeakPolarHBondContact CD2-O 3.26Å; P878-H936 HydrophobicContact CG-CB 3.99Å; F928-H936 HydrophobicContact CD1-CB 4.23Å; F928-H936 HydrophobicContact CE1-CB 4Å; D932-H936 IonicContact OD1-CE1 2.7Å; D932-H936 PolarHBondContact OD1-CE1 3.18Å; D932-H936 IonicContact OD1-CG 3.73Å; D932-H936 IonicContact OD1-ND1 2.66Å; D932-H936 PolarHBondContact OD1-ND1 2.92Å; I933-H936 VanDerWaalsContact O-CB 3.31Å; I933-H936 WeakPolarHBondContact O-CB 3.06Å; I933-H936 PolarHBondContact O-N 2.75Å; L934-H936 VanDerWaalsContact C-N 3.26Å; L934-H936 PolarHBondContact O-N 2.76Å; H936-F940 WeakPolarHBondContact O-CB 3.48Å; H936-F940 PolarHBondContact O-N 3.35Å
937V93.5Very high92.3Very high1 Ų127 Ų271%0.00614%0.139CC..Hα-helixtrans-73.4-43.2174.2-176.90000111.1L905 F907 F928 L934 K935 F940 M941 L953 L971 L982L905-V937 HydrophobicContact CD1-CG1 4.28Å; L905-V937 HydrophobicContact CD1-CG2 3.73Å; F907-V937 HydrophobicContact CE1-CG1 3.6Å; F907-V937 HydrophobicContact CZ-CG1 3.78Å; F928-V937 HydrophobicContact CE2-CG2 4.22Å; F928-V937 HydrophobicContact CZ-CG2 4.22Å; L934-V937 HydrophobicContact CD1-CB 4.18Å; L934-V937 HydrophobicContact CD1-CG2 4.35Å; L934-V937 WeakPolarHBondContact O-CA 3.49Å; L934-V937 VanDerWaalsContact O-CB 3.25Å; L934-V937 WeakPolarHBondContact O-CB 3.27Å; L934-V937 PolarHBondContact O-N 3.21Å; K935-V937 PolarHBondContact O-N 3.24Å; V937-F940 WeakPolarHBondContact O-CB 3.37Å; V937-F940 PolarHBondContact O-N 3.15Å; V937-M941 WeakPolarHBondContact O-CB 3.49Å; V937-M941 PolarHBondContact O-N 3.3Å; V937-L953 HydrophobicContact CG1-CD2 3.73Å; V937-L971 HydrophobicContact CG2-CD1 4.1Å; V937-L971 HydrophobicContact CG2-CD2 3.63Å; V937-L971 HydrophobicContact CG2-CG 4.48Å; V937-L982 HydrophobicContact CG1-CD1 4.36Å
938F94Very high92Very high5 Ų526.1 Ų26.12%0.02214%0.137CC..Hα-helixtrans-66.5-41.4174.6-62.6-48000112.6L934 K935 F940 M941 E942 K948 L953 L962 T963 E967L934-F938 HydrophobicContact CD1-CE2 4.46Å; L934-F938 HydrophobicContact CD1-CZ 4.35Å; L934-F938 HydrophobicContact CD2-CE2 3.97Å; L934-F938 HydrophobicContact CD2-CZ 4.1Å; L934-F938 HydrophobicContact CG-CD2 4.4Å; L934-F938 HydrophobicContact CG-CE2 3.71Å; L934-F938 HydrophobicContact CG-CZ 4Å; L934-F938 PolarHBondContact O-N 3.3Å; K935-F938 PolarHBondContact O-N 3.44Å; F938-F940 PolarHBondContact O-N 2.97Å; F938-M941 HydrophobicContact CD1-CE 3.78Å; F938-M941 HydrophobicContact CD1-SD 3.92Å; F938-M941 HydrophobicContact CE1-CE 4.49Å; F938-M941 HydrophobicContact CE1-SD 4.45Å; F938-M941 WeakPolarHBondContact O-CB 3.43Å; F938-M941 PolarHBondContact O-N 2.93Å; F938-E942 PolarHBondContact O-N 3.23Å; F938-K948 HydrophobicContact CD1-CD 4.26Å; F938-K948 HydrophobicContact CD1-CG 4.27Å; F938-K948 HydrophobicContact CD2-CD 4.01Å; F938-K948 HydrophobicContact CE1-CD 4.47Å; F938-K948 HydrophobicContact CE2-CD 4.24Å; F938-K948 HydrophobicContact CG-CD 4.05Å; F938-K948 HydrophobicContact CG-CG 4.47Å; F938-K948 HydrophobicContact CZ-CD 4.48Å; F938-L953 HydrophobicContact CD1-CD2 4.33Å; F938-L953 HydrophobicContact CE1-CB 4.36Å; F938-L953 HydrophobicContact CE1-CD2 3.86Å; F938-L962 WeakPolarHBondContact CZ-O 3.38Å; F938-T963 HydrophobicContact CE1-CG2 4.48Å; F938-E967 HydrophobicContact CD2-CG 4.17Å; F938-E967 HydrophobicContact CE2-CG 4.08Å
939M93.2Very high91.7Very high26 Ų2630.1 Ų30.113%0.12817%0.165CC..Hα-helixtrans-64.1-31.1173.1-67.4-171.7-59.200111.9M873 L877 K935 S943M873-M939 HydrophobicContact SD-CB 4.43Å; M873-M939 HydrophobicContact SD-CG 3.88Å; M873-M939 HydrophobicContact SD-SD 4.16Å; L877-M939 HydrophobicContact CD2-CB 4.06Å; K935-M939 HydrophobicContact CG-CE 4.43Å; K935-M939 WeakPolarHBondContact O-CG 3.45Å; K935-M939 PolarHBondContact O-N 2.73Å; M939-S943 VanDerWaalsContact O-CB 3.26Å; M939-S943 WeakPolarHBondContact O-CB 3.23Å; M939-S943 PolarHBondContact O-N 2.85Å
940F93.4Very high91.6Very high10 Ų1033.8 Ų33.84%0.04418%0.184CC..Hα-helixtrans-69.1-44.9172.7176.2-108.7000111.7L877 F907 M924 R926 F928 H936 V937 F938 E942 S943 K944L877-F940 HydrophobicContact CD1-CB 4.31Å; L877-F940 HydrophobicContact CD1-CD2 3.92Å; L877-F940 HydrophobicContact CD2-CB 3.91Å; F907-F940 HydrophobicContact CD2-CD1 4.46Å; F907-F940 AromaticContact CD2-CE1 3.95Å; F907-F940 HydrophobicContact CD2-CE1 3.95Å; F907-F940 HydrophobicContact CE1-CD1 4.45Å; F907-F940 AromaticContact CE2-CD1 3.78Å; F907-F940 HydrophobicContact CE2-CD1 3.78Å; F907-F940 AromaticContact CE2-CE1 3.59Å; F907-F940 HydrophobicContact CE2-CE1 3.59Å; F907-F940 AromaticContact CZ-CD1 3.78Å; F907-F940 HydrophobicContact CZ-CD1 3.78Å; F907-F940 HydrophobicContact CZ-CE1 4.08Å; M924-F940 HydrophobicContact CE-CD1 4.2Å; M924-F940 HydrophobicContact CE-CE1 3.69Å; M924-F940 HydrophobicContact CE-CZ 4.46Å; M924-F940 HydrophobicContact CG-CE1 4.3Å; M924-F940 HydrophobicContact SD-CE1 3.73Å; M924-F940 HydrophobicContact SD-CZ 3.95Å; R926-F940 HydrophobicContact CB-CD1 4.06Å; R926-F940 HydrophobicContact CB-CD2 4.36Å; R926-F940 HydrophobicContact CB-CE1 3.6Å; R926-F940 HydrophobicContact CB-CE2 3.93Å; R926-F940 HydrophobicContact CB-CG 4.42Å; R926-F940 HydrophobicContact CB-CZ 3.54Å; R926-F940 HydrophobicContact CG-CD1 4.25Å; R926-F940 HydrophobicContact CG-CD2 3.98Å; R926-F940 HydrophobicContact CG-CE1 4.21Å; R926-F940 HydrophobicContact CG-CE2 3.94Å; R926-F940 HydrophobicContact CG-CG 4.15Å; R926-F940 HydrophobicContact CG-CZ 4.07Å; F928-F940 HydrophobicContact CE1-CB 4.48Å; F928-F940 HydrophobicContact CZ-CB 3.82Å; F928-F940 HydrophobicContact CZ-CD1 4.35Å; F928-F940 HydrophobicContact CZ-CG 4.1Å; H936-F940 WeakPolarHBondContact O-CB 3.48Å; H936-F940 PolarHBondContact O-N 3.35Å; V937-F940 WeakPolarHBondContact O-CB 3.37Å; V937-F940 PolarHBondContact O-N 3.15Å; F938-F940 PolarHBondContact O-N 2.97Å; F940-E942 VanDerWaalsContact C-N 3.32Å; F940-E942 PolarHBondContact O-N 2.95Å; F940-S943 WeakPolarHBondContact CA-OG 3.29Å; F940-S943 PolarHBondContact O-N 2.91Å; F940-S943 PolarHBondContact O-OG 3.27Å; F940-K944 HydrophobicContact CE2-CG 4.06Å; F940-K944 HydrophobicContact CZ-CG 4.05Å; F940-K944 WeakPolarHBondContact O-CG 3.46Å; F940-K944 PolarHBondContact O-N 3.01Å; F940-K944 VanDerWaalsContact O-N 3.17Å
941M92Very high91.6Very high0 Ų035.4 Ų35.40%019%0.19CC..Hα-helixtrans-49.4-52.5171.1-147.9172.675.700110.5V937 F938 K944 G945 Y946 K948 L953 L984V937-M941 WeakPolarHBondContact O-CB 3.49Å; V937-M941 PolarHBondContact O-N 3.3Å; F938-M941 HydrophobicContact CD1-CE 3.78Å; F938-M941 HydrophobicContact CD1-SD 3.92Å; F938-M941 HydrophobicContact CE1-CE 4.49Å; F938-M941 HydrophobicContact CE1-SD 4.45Å; F938-M941 WeakPolarHBondContact O-CB 3.43Å; F938-M941 PolarHBondContact O-N 2.93Å; M941-K944 CarbonylContact O-C 3.55Å; M941-K944 WeakPolarHBondContact O-CA 3.47Å; M941-K944 PolarHBondContact O-N 3.01Å; M941-G945 PolarHBondContact O-N 2.91Å; M941-Y946 CarbonylContact C-O 3.45Å; M941-Y946 WeakPolarHBondContact CB-O 3.38Å; M941-Y946 WeakPolarHBondContact CE-O 3.45Å; M941-Y946 WeakPolarHBondContact CG-O 3.37Å; M941-Y946 WeakPolarHBondContact O-CB 3.38Å; M941-Y946 PolarHBondContact O-N 3.05Å; M941-K948 VanDerWaalsContact CE-CA 3.49Å; M941-K948 HydrophobicContact CE-CB 3.98Å; M941-K948 HydrophobicContact CE-CG 4.44Å; M941-L953 HydrophobicContact SD-CB 4.28Å; M941-L953 HydrophobicContact SD-CD1 4.48Å; M941-L953 HydrophobicContact SD-CD2 4.22Å; M941-L984 HydrophobicContact CG-CD1 4.38Å; M941-L984 HydrophobicContact CG-CD2 3.78Å; M941-L984 HydrophobicContact SD-CD2 3.55Å; M941-L984 VanDerWaalsContact SD-CD2 3.55Å
942E92.2Very high91.7Very high31 Ų3136 Ų3615%0.14519%0.188CC..Hα-helixtrans-68.8-37.6-180-81.6166.2-157.900113.2H869 M873 F938 F940 K944 G945 Y946 K948H869-E942 IonicContact CE1-OE2 2.67Å; M873-E942 HydrophobicContact CB-CB 4.2Å; M873-E942 HydrophobicContact CG-CB 3.98Å; F938-E942 PolarHBondContact O-N 3.23Å; F940-E942 VanDerWaalsContact C-N 3.32Å; F940-E942 PolarHBondContact O-N 2.95Å; E942-K944 PolarHBondContact O-N 3.02Å; E942-K944 VanDerWaalsContact O-N 3.08Å; E942-G945 PolarHBondContact O-N 3.32Å; E942-Y946 PolarHBondContact N-O 2.89Å; E942-K948 WeakPolarHBondContact OE1-CB 3.36Å; E942-K948 PolarHBondContact OE1-N 3.29Å
943S91.8Very high91.8Very high13 Ų1335.2 Ų35.29%0.09118%0.184CC..Hα-helixtrans-60.9-15.3170.7840000113.8R870 M939 F940R870-S943 WeakPolarHBondContact CD-O 3.28Å; R870-S943 VanDerWaalsContact CG-C 3.49Å; R870-S943 WeakPolarHBondContact CG-O 3.38Å; M939-S943 VanDerWaalsContact O-CB 3.26Å; M939-S943 WeakPolarHBondContact O-CB 3.23Å; M939-S943 PolarHBondContact O-N 2.85Å; F940-S943 WeakPolarHBondContact CA-OG 3.29Å; F940-S943 PolarHBondContact O-N 2.91Å; F940-S943 PolarHBondContact O-OG 3.27Å
944K89.9Confident91.7Very high104 Ų10435.3 Ų35.345%0.45218%0.183SC..THydrogen-bonded Turntrans-106.95.2175.3-64-62.3-175.9-177.10113.3M924 F940 M941 E942 Y946M924-K944 HydrophobicContact CE-CB 4.32Å; M924-K944 HydrophobicContact CE-CG 4.41Å; M924-K944 HydrophobicContact SD-CB 3.99Å; M924-K944 HydrophobicContact SD-CG 3.76Å; F940-K944 HydrophobicContact CE2-CG 4.06Å; F940-K944 HydrophobicContact CZ-CG 4.05Å; F940-K944 WeakPolarHBondContact O-CG 3.46Å; F940-K944 PolarHBondContact O-N 3.01Å; F940-K944 VanDerWaalsContact O-N 3.17Å; M941-K944 CarbonylContact O-C 3.55Å; M941-K944 WeakPolarHBondContact O-CA 3.47Å; M941-K944 PolarHBondContact O-N 3.01Å; E942-K944 PolarHBondContact O-N 3.02Å; E942-K944 VanDerWaalsContact O-N 3.08Å; K944-Y946 HydrophobicContact CB-CD2 3.77Å; K944-Y946 HydrophobicContact CB-CE2 3.9Å; K944-Y946 WeakPolarHBondContact O-CE2 3.41Å
945G88.7Confident91.7Very high32 Ų3235.4 Ų35.433%0.3318%0.183SC..THydrogen-bonded Turntrans897.2177.800000114.9M941 E942M941-G945 PolarHBondContact O-N 2.91Å; E942-G945 PolarHBondContact O-N 3.32Å
946Y90Very high91.3Very high25 Ų2533.5 Ų33.510%0.09818%0.179CC..  trans-99.693.3178.1-55.7-78000109.4L909 C913 M924 M941 E942 K944 Y951 L984L909-Y946 HydrophobicContact CD2-CE1 4.43Å; L909-Y946 HydrophobicContact CD2-CE2 3.95Å; C913-Y946 HydrophobicContact CB-CE1 4.05Å; M924-Y946 HydrophobicContact CE-CD2 4.18Å; M924-Y946 HydrophobicContact CE-CE2 4.42Å; M941-Y946 CarbonylContact C-O 3.45Å; M941-Y946 WeakPolarHBondContact CB-O 3.38Å; M941-Y946 WeakPolarHBondContact CE-O 3.45Å; M941-Y946 WeakPolarHBondContact CG-O 3.37Å; M941-Y946 WeakPolarHBondContact O-CB 3.38Å; M941-Y946 PolarHBondContact O-N 3.05Å; E942-Y946 PolarHBondContact N-O 2.89Å; K944-Y946 HydrophobicContact CB-CD2 3.77Å; K944-Y946 HydrophobicContact CB-CE2 3.9Å; K944-Y946 WeakPolarHBondContact O-CE2 3.41Å; Y946-Y951 HydrophobicContact CD1-CD1 4.37Å; Y946-Y951 HydrophobicContact CD1-CD2 4.1Å; Y946-Y951 HydrophobicContact CD1-CE1 4.06Å; Y946-Y951 AromaticContact CD1-CE2 3.78Å; Y946-Y951 HydrophobicContact CD1-CE2 3.78Å; Y946-Y951 HydrophobicContact CD1-CG 4.4Å; Y946-Y951 AromaticContact CD1-CZ 3.77Å; Y946-Y951 HydrophobicContact CG-CD2 4.48Å; Y946-Y951 HydrophobicContact CG-CE2 4.44Å; Y946-L984 HydrophobicContact CD2-CD1 4.47Å; Y946-L984 HydrophobicContact CG-CD1 4.24Å
947S88.3Confident90.8Very high28 Ų2841.3 Ų41.320%0.19621%0.209CC..  trans-64.2142.1179.7-175.70000112.7S949 D950 Y951S947-S949 PolarHBondContact O-N 3.13Å; S947-S949 WeakPolarHBondContact OG-CB 3.46Å; S947-S949 PolarHBondContact OG-N 2.88Å; S947-S949 VanDerWaalsContact OG-N 3.1Å; S947-D950 VanDerWaalsContact CB-CG 3.5Å; S947-D950 WeakPolarHBondContact CB-OD2 3.44Å; S947-D950 PolarHBondContact O-N 3.36Å; S947-D950 VanDerWaalsContact O-N 3.09Å; S947-Y951 PolarHBondContact O-N 2.76Å
948K86.7Confident90.5Very high40 Ų4045.1 Ų45.117%0.17423%0.233CC..THydrogen-bonded Turntrans-60.1-25.6166.8-166-177.9176.3178.70111.8F938 M941 E942 T963 E967 R987F938-K948 HydrophobicContact CD1-CD 4.26Å; F938-K948 HydrophobicContact CD1-CG 4.27Å; F938-K948 HydrophobicContact CD2-CD 4.01Å; F938-K948 HydrophobicContact CE1-CD 4.47Å; F938-K948 HydrophobicContact CE2-CD 4.24Å; F938-K948 HydrophobicContact CG-CD 4.05Å; F938-K948 HydrophobicContact CG-CG 4.47Å; F938-K948 HydrophobicContact CZ-CD 4.48Å; M941-K948 VanDerWaalsContact CE-CA 3.49Å; M941-K948 HydrophobicContact CE-CB 3.98Å; M941-K948 HydrophobicContact CE-CG 4.44Å; E942-K948 WeakPolarHBondContact OE1-CB 3.36Å; E942-K948 PolarHBondContact OE1-N 3.29Å; K948-T963 HydrophobicContact CD-CG2 4.38Å; K948-T963 WeakPolarHBondContact CE-O 3.23Å; K948-T963 HydrophobicContact CG-CG2 3.78Å; K948-E967 IonicContact NZ-OE1 2.64Å; K948-E967 PolarHBondContact NZ-OE1 3.24Å; K948-R987 PolarHBondContact O-NE 2.82Å; K948-R987 PolarHBondContact O-NH2 3.08Å
949S88.4Confident90.3Very high83 Ų8350.9 Ų50.958%0.5826%0.263SS*.THydrogen-bonded Turntrans-71.3-30.3174.7-58.30000113.6S947 R987S947-S949 PolarHBondContact O-N 3.13Å; S947-S949 WeakPolarHBondContact OG-CB 3.46Å; S947-S949 PolarHBondContact OG-N 2.88Å; S947-S949 VanDerWaalsContact OG-N 3.1Å; S949-R987 WeakPolarHBondContact O-CD 3.48Å; S949-R987 PolarHBondContact O-NE 2.91Å
950D90.2Very high90.2Very high83 Ų8352.7 Ų52.744%0.44427%0.268SS..THydrogen-bonded Turntrans-104.6-19.5-168.1-50.2-22.8000112.2S947 L986 R987S947-D950 VanDerWaalsContact CB-CG 3.5Å; S947-D950 WeakPolarHBondContact CB-OD2 3.44Å; S947-D950 PolarHBondContact O-N 3.36Å; S947-D950 VanDerWaalsContact O-N 3.09Å; D950-L986 WeakPolarHBondContact O-CD1 3.31Å; D950-R987 PolarHBondContact O-N 3.47Å
951Y92.1Very high90.2Very high33 Ų3353.9 Ų53.913%0.12928%0.275CS..EExtended strand (participates in β ladder)trans-126.2162.2-177.5-60.4-86.3000113.2P910 Y946 S947 E985 L986 R987P910-Y951 HydrophobicContact CG-CD1 4.18Å; P910-Y951 HydrophobicContact CG-CE1 3.9Å; Y946-Y951 HydrophobicContact CD1-CD1 4.37Å; Y946-Y951 HydrophobicContact CD1-CD2 4.1Å; Y946-Y951 HydrophobicContact CD1-CE1 4.06Å; Y946-Y951 AromaticContact CD1-CE2 3.78Å; Y946-Y951 HydrophobicContact CD1-CE2 3.78Å; Y946-Y951 HydrophobicContact CD1-CG 4.4Å; Y946-Y951 AromaticContact CD1-CZ 3.77Å; Y946-Y951 HydrophobicContact CG-CD2 4.48Å; Y946-Y951 HydrophobicContact CG-CE2 4.44Å; S947-Y951 PolarHBondContact O-N 2.76Å; Y951-E985 CarbonylContact C-O 3.55Å; Y951-E985 WeakPolarHBondContact CA-O 3.34Å; Y951-E985 WeakPolarHBondContact CB-O 3.48Å; Y951-E985 WeakPolarHBondContact CD1-O 3.25Å; Y951-L986 HydrophobicContact CD1-CB 4.39Å; Y951-L986 HydrophobicContact CD1-CD1 4.02Å; Y951-L986 HydrophobicContact CE1-CB 4.24Å; Y951-L986 HydrophobicContact CE1-CD1 3.42Å; Y951-L986 VanDerWaalsContact CE1-CD1 3.42Å; Y951-L986 HydrophobicContact CE1-CG 4.45Å; Y951-L986 HydrophobicContact CE2-CD1 4.37Å; Y951-R987 PolarHBondContact O-NE 3.08Å; Y951-R987 VanDerWaalsContact O-NE 3.16Å
952K93.4Very high90.1Very high51 Ų5153.9 Ų53.922%0.22228%0.275CS..EExtended strand (participates in β ladder)trans-116.6149.1167.4-52179.8-168.4104.80108.9F954 T963 L984 E985 R987K952-F954 HydrophobicContact CB-CD2 4.31Å; K952-F954 HydrophobicContact CB-CE2 3.54Å; K952-F954 HydrophobicContact CB-CZ 3.93Å; K952-F954 HydrophobicContact CD-CE2 4.22Å; K952-F954 HydrophobicContact CD-CZ 3.99Å; K952-F954 HydrophobicContact CG-CE2 4.5Å; K952-T963 WeakPolarHBondContact CA-OG1 3.41Å; K952-L984 WeakPolarHBondContact O-CA 3.13Å; K952-E985 PolarHBondContact N-O 3.11Å; K952-E985 PolarHBondContact O-N 2.89Å; K952-R987 HydrophobicContact CG-CG 3.9Å; K952-R987 PolarHBondContact NZ-OXT 2.96Å
953L94.1Very high90.1Very high0 Ų052.8 Ų52.80%027%0.271CS..EExtended strand (participates in β ladder)trans-125.3110.7-174-177.268.6000111.1F907 V937 F938 M941 L962 T963 L982 L984F907-L953 HydrophobicContact CD1-CD1 3.91Å; F907-L953 HydrophobicContact CE1-CD1 4.18Å; V937-L953 HydrophobicContact CG1-CD2 3.73Å; F938-L953 HydrophobicContact CD1-CD2 4.33Å; F938-L953 HydrophobicContact CE1-CB 4.36Å; F938-L953 HydrophobicContact CE1-CD2 3.86Å; M941-L953 HydrophobicContact SD-CB 4.28Å; M941-L953 HydrophobicContact SD-CD1 4.48Å; M941-L953 HydrophobicContact SD-CD2 4.22Å; L953-L962 HydrophobicContact CD2-CB 4.3Å; L953-L962 HydrophobicContact CD2-CD1 4.13Å; L953-L962 HydrophobicContact CG-CB 4.39Å; L953-L962 HydrophobicContact CG-CD1 4.26Å; L953-L962 WeakPolarHBondContact O-CB 3.33Å; L953-L962 PolarHBondContact O-N 2.94Å; L953-T963 PolarHBondContact N-OG1 3.38Å; L953-L982 HydrophobicContact CD1-CB 3.81Å; L953-L982 HydrophobicContact CD1-CD1 4.08Å; L953-L982 HydrophobicContact CD2-CD1 4.16Å; L953-L982 HydrophobicContact CG-CD1 4.27Å; L953-L984 HydrophobicContact CB-CD2 4.44Å; L953-L984 HydrophobicContact CD1-CD2 3.85Å; L953-L984 HydrophobicContact CD1-CG 3.97Å
954F93.8Very high90Very high43 Ų4359.1 Ų59.119%0.18930%0.303CS..EExtended strand (participates in β ladder)trans-112144.8-174.4-61.8-85.1000114K952 I959 R960 D961 L982 T983 E985K952-F954 HydrophobicContact CB-CD2 4.31Å; K952-F954 HydrophobicContact CB-CE2 3.54Å; K952-F954 HydrophobicContact CB-CZ 3.93Å; K952-F954 HydrophobicContact CD-CE2 4.22Å; K952-F954 HydrophobicContact CD-CZ 3.99Å; K952-F954 HydrophobicContact CG-CE2 4.5Å; F954-I959 HydrophobicContact CB-CG2 4.35Å; F954-I959 HydrophobicContact CD1-CG2 4.02Å; F954-R960 VanDerWaalsContact CA-O 3.28Å; F954-R960 WeakPolarHBondContact CA-O 3.46Å; F954-D961 HydrophobicContact CD1-CB 3.9Å; F954-D961 HydrophobicContact CE1-CB 3.59Å; F954-D961 HydrophobicContact CZ-CB 4.45Å; F954-L982 CarbonylContact O-C 3.43Å; F954-L982 WeakPolarHBondContact O-CA 3.37Å; F954-T983 PolarHBondContact N-O 3.07Å; F954-T983 PolarHBondContact O-N 3.47Å; F954-E985 HydrophobicContact CD2-CB 4.42Å; F954-E985 HydrophobicContact CE2-CB 4.02Å; F954-E985 VanDerWaalsContact CE2-OE2 3.29Å; F954-E985 WeakPolarHBondContact CE2-OE2 3.33Å
955T92.9Very high89.9Confident2 Ų257 Ų571%0.01230%0.295CS..EExtended strand (participates in β ladder)trans-76.6159164.4530000112P958 R960 L962 L976 E980 L982T955-P958 PolarHBondContact OG1-O 3.5Å; T955-R960 PolarHBondContact N-O 3.01Å; T955-R960 VanDerWaalsContact N-O 3.08Å; T955-R960 WeakPolarHBondContact OG1-CB 3.35Å; T955-R960 PolarHBondContact OG1-N 2.87Å; T955-L962 HydrophobicContact CG2-CD1 4.07Å; T955-L962 HydrophobicContact CG2-CD2 3.96Å; T955-L962 HydrophobicContact CG2-CG 4.11Å; T955-L976 HydrophobicContact CG2-CD2 3.76Å; T955-E980 WeakPolarHBondContact CB-OE1 3.45Å; T955-E980 HydrophobicContact CG2-CG 4.36Å; T955-L982 HydrophobicContact CG2-CD2 3.63Å
956T85.7Confident90Very high50 Ų5059.5 Ų59.531%0.30730%0.301SS..SBendtrans-81.5-49.7-174.7-70.20000113.2R908 I959 E980 T981R908-T956 PolarHBondContact NH1-OG1 2.97Å; T956-I959 VanDerWaalsContact O-CG1 3.31Å; T956-I959 WeakPolarHBondContact O-CG1 3.35Å; T956-E980 PolarHBondContact N-OE1 2.67Å; T956-T981 WeakPolarHBondContact CB-O 3.31Å; T956-T981 PolarHBondContact N-O 3.28Å; T956-T981 PolarHBondContact OG1-O 3.24Å
957Y83Confident90.1Very high208 Ų20861 Ų6182%0.81631%0.309SS*.SBendtrans-159.2123.1173.2-169.5-95.5000111.9
958P86.6Confident90.2Very high80 Ų8064.5 Ų64.552%0.51933%0.326SS..SBendcis-62150.1-7.128.6-35.9000111.4T955 R960T955-P958 PolarHBondContact OG1-O 3.5Å; P958-R960 PolarHBondContact O-N 3.12Å
959I89.2Confident90.5Very high127 Ų12765.6 Ų65.665%0.65133%0.332SS*.  trans-77.3120.3176.5-58.9173.9000108.3F954 T956F954-I959 HydrophobicContact CB-CG2 4.35Å; F954-I959 HydrophobicContact CD1-CG2 4.02Å; T956-I959 VanDerWaalsContact O-CG1 3.31Å; T956-I959 WeakPolarHBondContact O-CG1 3.35Å
960R92Very high90.6Very high63 Ų6363 Ų6324%0.23831%0.313CS..  trans-131.2134.8175.7-60.7174.8-70.8173.8-2.3108.1F954 T955 P958 L962 L974F954-R960 VanDerWaalsContact CA-O 3.28Å; F954-R960 WeakPolarHBondContact CA-O 3.46Å; T955-R960 PolarHBondContact N-O 3.01Å; T955-R960 VanDerWaalsContact N-O 3.08Å; T955-R960 WeakPolarHBondContact OG1-CB 3.35Å; T955-R960 PolarHBondContact OG1-N 2.87Å; P958-R960 PolarHBondContact O-N 3.12Å; R960-L962 PolarHBondContact O-N 3.08Å; R960-L974 VanDerWaalsContact CZ-O 3.26Å; R960-L974 PolarHBondContact NH1-O 2.79Å; R960-L974 PolarHBondContact NH2-O 2.96Å
961D92.4Very high90.7Very high35 Ų3559 Ų5919%0.18729%0.291CS..BIsolated β-bridgetrans-79.8100.9170.1-169.4-10.3000109.2F954 T963 L964F954-D961 HydrophobicContact CD1-CB 3.9Å; F954-D961 HydrophobicContact CE1-CB 3.59Å; F954-D961 HydrophobicContact CZ-CB 4.45Å; D961-T963 PolarHBondContact O-N 2.89Å; D961-T963 WeakPolarHBondContact OD1-CA 3.43Å; D961-T963 WeakPolarHBondContact OD1-CB 3.3Å; D961-T963 PolarHBondContact OD1-N 3.47Å; D961-T963 PolarHBondContact OD1-OG1 2.91Å; D961-L964 HydrophobicContact CB-CD1 4.13Å; D961-L964 HydrophobicContact CB-CG 4.26Å; D961-L964 PolarHBondContact O-N 3.02Å
962L91.8Very high90.6Very high0 Ų058.8 Ų58.80%030%0.296CS..G310 helixtrans-64.4-25.4177.5-59.6-176.1000111.3L934 F938 L953 T955 R960 L964 M965 L976 L982L934-L962 HydrophobicContact CD1-CB 4.23Å; L934-L962 HydrophobicContact CD1-CD1 4.18Å; L934-L962 HydrophobicContact CD2-CB 4.35Å; F938-L962 WeakPolarHBondContact CZ-O 3.38Å; L953-L962 HydrophobicContact CD2-CB 4.3Å; L953-L962 HydrophobicContact CD2-CD1 4.13Å; L953-L962 HydrophobicContact CG-CB 4.39Å; L953-L962 HydrophobicContact CG-CD1 4.26Å; L953-L962 WeakPolarHBondContact O-CB 3.33Å; L953-L962 PolarHBondContact O-N 2.94Å; T955-L962 HydrophobicContact CG2-CD1 4.07Å; T955-L962 HydrophobicContact CG2-CD2 3.96Å; T955-L962 HydrophobicContact CG2-CG 4.11Å; R960-L962 PolarHBondContact O-N 3.08Å; L962-L964 PolarHBondContact O-N 2.83Å; L962-L964 VanDerWaalsContact O-N 3.13Å; L962-M965 HydrophobicContact CD2-SD 3.67Å; L962-M965 PolarHBondContact O-N 3.09Å; L962-L976 HydrophobicContact CD1-CD1 4.24Å; L962-L982 HydrophobicContact CD1-CD1 4Å; L962-L982 HydrophobicContact CD1-CD2 3.68Å; L962-L982 HydrophobicContact CD1-CG 4.49Å
963T91Very high90.5Very high9 Ų961.5 Ų61.56%0.05531%0.313CS..G310 helixtrans-60.8-22.9179.1-25.60000112.9F938 K948 K952 L953 D961F938-T963 HydrophobicContact CE1-CG2 4.48Å; K948-T963 HydrophobicContact CD-CG2 4.38Å; K948-T963 WeakPolarHBondContact CE-O 3.23Å; K948-T963 HydrophobicContact CG-CG2 3.78Å; K952-T963 WeakPolarHBondContact CA-OG1 3.41Å; L953-T963 PolarHBondContact N-OG1 3.38Å; D961-T963 PolarHBondContact O-N 2.89Å; D961-T963 WeakPolarHBondContact OD1-CA 3.43Å; D961-T963 WeakPolarHBondContact OD1-CB 3.3Å; D961-T963 PolarHBondContact OD1-N 3.47Å; D961-T963 PolarHBondContact OD1-OG1 2.91Å
964L89.4Confident90.3Very high146 Ų14661.6 Ų61.676%0.76431%0.314SS*.G310 helixtrans-100.2-1.7178.5-58.3178.7000113.5D961 L962D961-L964 HydrophobicContact CB-CD1 4.13Å; D961-L964 HydrophobicContact CB-CG 4.26Å; D961-L964 PolarHBondContact O-N 3.02Å; L962-L964 PolarHBondContact O-N 2.83Å; L962-L964 VanDerWaalsContact O-N 3.13Å
965M89.3Confident90Very high58 Ų5865.7 Ų65.729%0.28634%0.338SS..SBendtrans-88.4160.6175.8-59.5-167.775.400111.2L934 L962 E967 L974L934-M965 HydrophobicContact CD2-CB 3.96Å; L962-M965 HydrophobicContact CD2-SD 3.67Å; L962-M965 PolarHBondContact O-N 3.09Å; M965-E967 PolarHBondContact O-N 3Å; M965-L974 HydrophobicContact CE-CD2 3.36Å; M965-L974 HydrophobicContact SD-CD2 3.86Å
966D90.3Very high89.9Confident86 Ų8665.7 Ų65.746%0.4634%0.337SS..  trans-64.6124.3177173.723.2000110.8N968 M969D966-N968 PolarHBondContact O-N 3.18Å; D966-N968 VanDerWaalsContact O-N 3.11Å; D966-N968 PolarHBondContact OD1-N 3.06Å; D966-N968 PolarHBondContact OD1-ND2 2.93Å; D966-M969 HydrophobicContact CB-CG 4.16Å; D966-M969 PolarHBondContact O-N 3.32Å
967E91.1Very high90.1Very high55 Ų5565.6 Ų65.626%0.25734%0.337SS..THydrogen-bonded Turntrans-61.3-20.2-179.4-51.6-168.6166.800112.9L934 K935 F938 K948 M965L934-E967 CarbonylContact C-O 3.55Å; L934-E967 PolarHBondContact N-O 2.85Å; K935-E967 HydrophobicContact CB-CB 3.98Å; K935-E967 HydrophobicContact CG-CB 4.39Å; K935-E967 PolarHBondContact N-O 2.82Å; F938-E967 HydrophobicContact CD2-CG 4.17Å; F938-E967 HydrophobicContact CE2-CG 4.08Å; K948-E967 IonicContact NZ-OE1 2.64Å; K948-E967 PolarHBondContact NZ-OE1 3.24Å; M965-E967 PolarHBondContact O-N 3Å
968N91.5Very high90.4Very high103 Ų10360.2 Ų60.255%0.55133%0.328SS*.THydrogen-bonded Turntrans-89.4-4.4-176.9-52.4-76.8000113.6I933 D966I933-N968 WeakPolarHBondContact CG2-O 3.47Å; D966-N968 PolarHBondContact O-N 3.18Å; D966-N968 VanDerWaalsContact O-N 3.11Å; D966-N968 PolarHBondContact OD1-N 3.06Å; D966-N968 PolarHBondContact OD1-ND2 2.93Å
969M91.6Very high90.6Very high63 Ų6362.3 Ų62.331%0.3133%0.33SS..SBendtrans-71.3137.9174-70.4-163.772.700111.7I933 L934 D966 N973 L974I933-M969 CarbonylContact C-O 3.55Å; I933-M969 WeakPolarHBondContact CA-O 3.42Å; L934-M969 PolarHBondContact N-O 2.53Å; D966-M969 HydrophobicContact CB-CG 4.16Å; D966-M969 PolarHBondContact O-N 3.32Å; M969-N973 HydrophobicContact CE-CB 3.87Å; M969-L974 HydrophobicContact CB-CD1 4.12Å; M969-L974 HydrophobicContact CB-CD2 3.99Å; M969-L974 HydrophobicContact CB-CG 3.96Å; M969-L974 HydrophobicContact CE-CD2 4.13Å; M969-L974 HydrophobicContact SD-CD2 3.87Å
970T92Very high90.7Very high27 Ų2758 Ų5817%0.16631%0.308CS..BIsolated β-bridgetrans-72.8151.5176.364.80000111.9G930 D932 I933 A972 N973 L974G930-T970 WeakPolarHBondContact O-CB 3.46Å; D932-T970 CarbonylContact O-C 3.59Å; D932-T970 VanDerWaalsContact O-CA 3.22Å; D932-T970 WeakPolarHBondContact O-CA 3.18Å; I933-T970 HydrophobicContact CG2-CG2 4.39Å; T970-A972 PolarHBondContact O-N 2.65Å; T970-N973 PolarHBondContact O-N 2.62Å; T970-N973 VanDerWaalsContact O-N 3.07Å; T970-N973 WeakPolarHBondContact OG1-CB 3.49Å; T970-N973 PolarHBondContact OG1-N 2.79Å; T970-N973 PolarHBondContact OG1-ND2 2.88Å; T970-L974 WeakPolarHBondContact O-CG 3.37Å; T970-L974 PolarHBondContact O-N 2.99Å; T970-L974 VanDerWaalsContact O-N 3.14Å
971L92.6Very high90.7Very high0 Ų056.2 Ų56.20%030%0.304CS..THydrogen-bonded Turntrans-65.7-25.1-178.4-59.7176000112.9T903 L905 F928 G930 D932 V937 L974 L976T903-L971 HydrophobicContact CG2-CB 4.05Å; T903-L971 HydrophobicContact CG2-CD1 3.65Å; T903-L971 HydrophobicContact CG2-CG 4.49Å; L905-L971 HydrophobicContact CD1-CD1 4.31Å; F928-L971 HydrophobicContact CB-CD1 3.37Å; F928-L971 HydrophobicContact CD1-CD1 4.45Å; F928-L971 HydrophobicContact CD2-CD1 4.16Å; F928-L971 HydrophobicContact CG-CD1 3.79Å; G930-L971 PolarHBondContact O-N 2.76Å; D932-L971 HydrophobicContact CB-CD1 4.04Å; D932-L971 WeakPolarHBondContact O-CG 3.43Å; D932-L971 PolarHBondContact O-N 2.87Å; V937-L971 HydrophobicContact CG2-CD1 4.1Å; V937-L971 HydrophobicContact CG2-CD2 3.63Å; V937-L971 HydrophobicContact CG2-CG 4.48Å; L971-L974 HydrophobicContact CD2-CD1 4.44Å; L971-L976 HydrophobicContact CB-CB 4.41Å; L971-L976 HydrophobicContact CD2-CD1 3.7Å; L971-L976 WeakPolarHBondContact O-CB 3.44Å; L971-L976 PolarHBondContact O-N 3.23Å
972A89.3Confident90.7Very high28 Ų2854.6 Ų54.623%0.23130%0.295CS..THydrogen-bonded Turntrans-68-46.6168.200000112.3D900 G930 T970 L974 D975 V977D900-A972 HydrophobicContact CB-CB 3.93Å; G930-A972 WeakPolarHBondContact O-CB 3.4Å; G930-A972 PolarHBondContact O-N 2.8Å; T970-A972 PolarHBondContact O-N 2.65Å; A972-L974 PolarHBondContact O-N 3.36Å; A972-L974 VanDerWaalsContact O-N 3.13Å; A972-D975 PolarHBondContact O-N 3.22Å; A972-V977 HydrophobicContact CB-CG2 4.05Å
973N90.8Very high90.8Very high109 Ų10956.6 Ų56.658%0.58331%0.307SS*.THydrogen-bonded Turntrans-67.2-11.1177.2-70.2-9000113.6M969 T970M969-N973 HydrophobicContact CE-CB 3.87Å; T970-N973 PolarHBondContact O-N 2.62Å; T970-N973 VanDerWaalsContact O-N 3.07Å; T970-N973 WeakPolarHBondContact OG1-CB 3.49Å; T970-N973 PolarHBondContact OG1-N 2.79Å; T970-N973 PolarHBondContact OG1-ND2 2.88Å
974L89.4Confident90.8Very high1 Ų156.4 Ų56.41%0.00531%0.306CS..THydrogen-bonded Turntrans-98.56.6174.6-66.7173.8000113.2L934 R960 M965 M969 T970 L971 A972 L976L934-L974 HydrophobicContact CB-CD1 3.88Å; L934-L974 HydrophobicContact CD1-CD1 4.07Å; L934-L974 HydrophobicContact CD2-CD1 3.99Å; L934-L974 HydrophobicContact CG-CD1 4.2Å; R960-L974 VanDerWaalsContact CZ-O 3.26Å; R960-L974 PolarHBondContact NH1-O 2.79Å; R960-L974 PolarHBondContact NH2-O 2.96Å; M965-L974 HydrophobicContact CE-CD2 3.36Å; M965-L974 HydrophobicContact SD-CD2 3.86Å; M969-L974 HydrophobicContact CB-CD1 4.12Å; M969-L974 HydrophobicContact CB-CD2 3.99Å; M969-L974 HydrophobicContact CB-CG 3.96Å; M969-L974 HydrophobicContact CE-CD2 4.13Å; M969-L974 HydrophobicContact SD-CD2 3.87Å; T970-L974 WeakPolarHBondContact O-CG 3.37Å; T970-L974 PolarHBondContact O-N 2.99Å; T970-L974 VanDerWaalsContact O-N 3.14Å; L971-L974 HydrophobicContact CD2-CD1 4.44Å; A972-L974 PolarHBondContact O-N 3.36Å; A972-L974 VanDerWaalsContact O-N 3.13Å; L974-L976 VanDerWaalsContact C-N 3.26Å; L974-L976 HydrophobicContact CB-CD1 3.8Å; L974-L976 HydrophobicContact CB-CG 3.79Å; L974-L976 HydrophobicContact CD1-CD1 4.18Å; L974-L976 PolarHBondContact O-N 2.65Å
975D89Confident90.9Very high130 Ų13054.2 Ų54.270%0.69529%0.292SS*.THydrogen-bonded Turntrans58.432.2-175.5-53.3-59.7000113.7A972A972-D975 PolarHBondContact O-N 3.22Å
976L90.5Very high90.9Very high1 Ų155.4 Ų55.41%0.00530%0.299CS..  trans-97.5-0.3-178-55175.8000113.3T903 L905 T955 L962 L971 L974 E980 L982T903-L976 WeakPolarHBondContact CB-O 3.32Å; T903-L976 PolarHBondContact OG1-O 2.91Å; L905-L976 HydrophobicContact CD2-CB 4.14Å; T955-L976 HydrophobicContact CG2-CD2 3.76Å; L962-L976 HydrophobicContact CD1-CD1 4.24Å; L971-L976 HydrophobicContact CB-CB 4.41Å; L971-L976 HydrophobicContact CD2-CD1 3.7Å; L971-L976 WeakPolarHBondContact O-CB 3.44Å; L971-L976 PolarHBondContact O-N 3.23Å; L974-L976 VanDerWaalsContact C-N 3.26Å; L974-L976 HydrophobicContact CB-CD1 3.8Å; L974-L976 HydrophobicContact CB-CG 3.79Å; L974-L976 HydrophobicContact CD1-CD1 4.18Å; L974-L976 PolarHBondContact O-N 2.65Å; L976-E980 HydrophobicContact CD2-CB 4.12Å; L976-E980 HydrophobicContact CD2-CG 3.84Å; L976-L982 HydrophobicContact CD2-CD2 4.37Å
977V89.5Confident90.6Very high49 Ų4959.1 Ų59.130%0.29731%0.306SS..  trans-96.1137.51781780000109.4A972A972-V977 HydrophobicContact CB-CG2 4.05Å
978P89Confident90.6Very high95 Ų9559.4 Ų59.462%0.61731%0.309SS*.SBendcis-95-7.1437.5-36.2000114.8T903 T904T903-P978 CarbonylContact C-O 3.59Å; T903-P978 WeakPolarHBondContact CA-O 3.43Å; T904-P978 PolarHBondContact N-O 3.43Å
979Q90.3Very high90.5Very high123 Ų12357.1 Ų57.158%0.57530%0.296SS*.EExtended strand (participates in β ladder)trans-160.8132.5178.7179.6-176.7-34.200109.7T904T904-Q979 WeakPolarHBondContact O-CA 3.38Å; T904-Q979 WeakPolarHBondContact O-CG 3.4Å
980E91.7Very high90.5Very high38 Ų3856.7 Ų56.718%0.17830%0.295CS..EExtended strand (participates in β ladder)trans-137.8152.5170.5170.755.1167.900111T904 L905 R906 T955 T956 L976 L982T904-E980 PolarHBondContact O-N 3.28Å; L905-E980 HydrophobicContact CD2-CB 4.32Å; R906-E980 PolarHBondContact N-O 2.74Å; T955-E980 WeakPolarHBondContact CB-OE1 3.45Å; T955-E980 HydrophobicContact CG2-CG 4.36Å; T956-E980 PolarHBondContact N-OE1 2.67Å; L976-E980 HydrophobicContact CD2-CB 4.12Å; L976-E980 HydrophobicContact CD2-CG 3.84Å; E980-L982 HydrophobicContact CG-CD2 3.85Å
981T92.5Very high90.4Very high25 Ų2558.5 Ų58.515%0.15330%0.303CS..EExtended strand (participates in β ladder)trans-100.7112.4169.7-55.70000110.6R906 R908 T956R906-T981 HydrophobicContact CB-CG2 4.42Å; R906-T981 HydrophobicContact CG-CG2 4.26Å; R906-T981 CarbonylContact O-C 3.55Å; R906-T981 VanDerWaalsContact O-CA 3.3Å; R906-T981 WeakPolarHBondContact O-CA 3.42Å; R908-T981 HydrophobicContact CG-CG2 3.95Å; T956-T981 WeakPolarHBondContact CB-O 3.31Å; T956-T981 PolarHBondContact N-O 3.28Å; T956-T981 PolarHBondContact OG1-O 3.24Å
982L93.3Very high90.3Very high0 Ų062.1 Ų62.10%032%0.322CS..EExtended strand (participates in β ladder)trans-91.7154.6173.1-54.3-178.7000110.7L905 R906 F907 R908 V937 L953 F954 T955 L962 L976 E980L905-L982 HydrophobicContact CD1-CD1 4.05Å; L905-L982 HydrophobicContact CD2-CD1 4.32Å; R906-L982 PolarHBondContact O-N 3.1Å; F907-L982 CarbonylContact C-O 3.46Å; F907-L982 WeakPolarHBondContact CA-O 3.25Å; F907-L982 HydrophobicContact CD1-CB 4.26Å; F907-L982 HydrophobicContact CD1-CD1 4.25Å; F907-L982 HydrophobicContact CE1-CD1 3.82Å; F907-L982 HydrophobicContact CZ-CD1 4.3Å; R908-L982 PolarHBondContact N-O 3.15Å; V937-L982 HydrophobicContact CG1-CD1 4.36Å; L953-L982 HydrophobicContact CD1-CB 3.81Å; L953-L982 HydrophobicContact CD1-CD1 4.08Å; L953-L982 HydrophobicContact CD2-CD1 4.16Å; L953-L982 HydrophobicContact CG-CD1 4.27Å; F954-L982 CarbonylContact O-C 3.43Å; F954-L982 WeakPolarHBondContact O-CA 3.37Å; T955-L982 HydrophobicContact CG2-CD2 3.63Å; L962-L982 HydrophobicContact CD1-CD1 4Å; L962-L982 HydrophobicContact CD1-CD2 3.68Å; L962-L982 HydrophobicContact CD1-CG 4.49Å; L976-L982 HydrophobicContact CD2-CD2 4.37Å; E980-L982 HydrophobicContact CG-CD2 3.85Å
983T92.4Very high90.3Very high42 Ų4264.4 Ų64.426%0.25833%0.328SS..EExtended strand (participates in β ladder)trans-125.7128.7177.6-52.80000109.7R908 F954R908-T983 HydrophobicContact CB-CG2 4.21Å; R908-T983 PolarHBondContact NH1-OG1 3.1Å; F954-T983 PolarHBondContact N-O 3.07Å; F954-T983 PolarHBondContact O-N 3.47Å
984L92.3Very high90.3Very high5 Ų561.2 Ų61.23%0.02631%0.31CS..EExtended strand (participates in β ladder)trans-94.4129.9173.7-77.7159.5000110F907 R908 L909 M924 M941 Y946 K952 L953F907-L984 HydrophobicContact CB-CD1 4.28Å; F907-L984 HydrophobicContact CD1-CD1 4.45Å; R908-L984 WeakPolarHBondContact O-CB 3.5Å; R908-L984 PolarHBondContact O-N 2.78Å; L909-L984 HydrophobicContact CD2-CD1 3.73Å; M924-L984 HydrophobicContact CE-CD1 4.12Å; M941-L984 HydrophobicContact CG-CD1 4.38Å; M941-L984 HydrophobicContact CG-CD2 3.78Å; M941-L984 HydrophobicContact SD-CD2 3.55Å; M941-L984 VanDerWaalsContact SD-CD2 3.55Å; Y946-L984 HydrophobicContact CD2-CD1 4.47Å; Y946-L984 HydrophobicContact CG-CD1 4.24Å; K952-L984 WeakPolarHBondContact O-CA 3.13Å; L953-L984 HydrophobicContact CB-CD2 4.44Å; L953-L984 HydrophobicContact CD1-CD2 3.85Å; L953-L984 HydrophobicContact CD1-CG 3.97Å
985E89.9Confident90.4Very high101 Ų10165.8 Ų65.847%0.47233%0.333SS..EExtended strand (participates in β ladder)trans-122.8142175.4-166.9-179.2-147.200109Y951 K952 F954Y951-E985 CarbonylContact C-O 3.55Å; Y951-E985 WeakPolarHBondContact CA-O 3.34Å; Y951-E985 WeakPolarHBondContact CB-O 3.48Å; Y951-E985 WeakPolarHBondContact CD1-O 3.25Å; K952-E985 PolarHBondContact N-O 3.11Å; K952-E985 PolarHBondContact O-N 2.89Å; F954-E985 HydrophobicContact CD2-CB 4.42Å; F954-E985 HydrophobicContact CE2-CB 4.02Å; F954-E985 VanDerWaalsContact CE2-OE2 3.29Å; F954-E985 WeakPolarHBondContact CE2-OE2 3.33Å
986L89.4Confident90.5Very high83 Ų8360.5 Ų60.544%0.43530%0.303SS..EExtended strand (participates in β ladder)trans-69.8149.6172.8-167.673.2000109.5D950 Y951D950-L986 WeakPolarHBondContact O-CD1 3.31Å; Y951-L986 HydrophobicContact CD1-CB 4.39Å; Y951-L986 HydrophobicContact CD1-CD1 4.02Å; Y951-L986 HydrophobicContact CE1-CB 4.24Å; Y951-L986 HydrophobicContact CE1-CD1 3.42Å; Y951-L986 VanDerWaalsContact CE1-CD1 3.42Å; Y951-L986 HydrophobicContact CE1-CG 4.45Å; Y951-L986 HydrophobicContact CE2-CD1 4.37Å
987R84.9Confident90.5Very high164 Ų16465.9 Ų65.962%0.61933%0.33SS*.  trans-70.30-175.8-79.4-154.6-172.6-175-9.8115.7K948 S949 D950 Y951 K952K948-R987 PolarHBondContact O-NE 2.82Å; K948-R987 PolarHBondContact O-NH2 3.08Å; S949-R987 WeakPolarHBondContact O-CD 3.48Å; S949-R987 PolarHBondContact O-NE 2.91Å; D950-R987 PolarHBondContact O-N 3.47Å; Y951-R987 PolarHBondContact O-NE 3.08Å; Y951-R987 VanDerWaalsContact O-NE 3.16Å; K952-R987 HydrophobicContact CG-CG 3.9Å; K952-R987 PolarHBondContact NZ-OXT 2.96Å

Retrieved 987 of 987 residues in 509.7 ms (Link to these results)

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