A0A087XZL1_POEFO Loading...

Signal transducer and activator of transcription

AlphaFold DB , UniProt , Accession A0A087XZL1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 752 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
1M59.7Low82.1Confident147 Ų14769.3 Ų69.372%0.72433%0.331SS*.  0134.20-80.9167.437.400107.5R6M1-R6 HydrophobicContact CE-CG 3.62Å
2A75.6Confident81.4Confident19 Ų1969.6 Ų69.616%0.15735%0.354CS..  trans-62.9150.617500000109.6W4 D5 R6 E40A2-W4 PolarHBondContact O-N 2.73Å; A2-D5 WeakPolarHBondContact CB-OD2 3.47Å; A2-D5 PolarHBondContact N-OD2 3.05Å; A2-D5 PolarHBondContact O-N 3.44Å; A2-R6 PolarHBondContact O-N 3.28Å; A2-E40 WeakPolarHBondContact CA-OE2 3.46Å; A2-E40 VanDerWaalsContact CB-OE2 3.27Å; A2-E40 WeakPolarHBondContact CB-OE2 3.44Å
3Q88.5Confident80.6Confident29 Ų2970.9 Ų70.914%0.13637%0.368CS..Hα-helixtrans-53-39.8172.2179.3173.9-48.400110.4D5 R6 L7 E40 L109 E112 L116Q3-D5 PolarHBondContact O-N 3.02Å; Q3-R6 PolarHBondContact O-N 3.17Å; Q3-L7 HydrophobicContact CG-CD1 4.48Å; Q3-L7 PolarHBondContact O-N 3.16Å; Q3-L7 VanDerWaalsContact O-N 3.11Å; Q3-E40 HydrophobicContact CB-CG 4.33Å; Q3-E40 VanDerWaalsContact N-CD 3.35Å; Q3-E40 PolarHBondContact N-OE1 3.17Å; Q3-E40 PolarHBondContact N-OE2 3.36Å; Q3-L109 PolarHBondContact NE2-O 3.38Å; Q3-E112 PolarHBondContact NE2-OE2 3.34Å; Q3-L116 HydrophobicContact CG-CD1 3.78Å
4W89.9Confident80.7Confident4 Ų467.9 Ų67.92%0.01535%0.35CS..Hα-helixtrans-61.1-40.3175.6-165.4-118.7000114.1A2 R6 L7 R8 L18 Y22 M29 R32 H33 E40 E112A2-W4 PolarHBondContact O-N 2.73Å; W4-R6 VanDerWaalsContact C-N 3.29Å; W4-R6 PolarHBondContact O-N 3.06Å; W4-L7 HydrophobicContact CE3-CD1 3.91Å; W4-L7 HydrophobicContact CZ3-CD1 4.28Å; W4-L7 PolarHBondContact O-N 3.37Å; W4-R8 WeakPolarHBondContact O-CG 3.44Å; W4-R8 PolarHBondContact O-N 3.37Å; W4-R8 VanDerWaalsContact O-N 3.09Å; W4-L18 HydrophobicContact CH2-CD2 4.19Å; W4-L18 HydrophobicContact CZ3-CD1 4.26Å; W4-L18 HydrophobicContact CZ3-CD2 4.19Å; W4-Y22 HydrophobicContact CH2-CD2 4.46Å; W4-Y22 HydrophobicContact CH2-CE2 4.02Å; W4-Y22 AromaticContact CZ3-CE2 3.73Å; W4-Y22 HydrophobicContact CZ3-CE2 3.73Å; W4-M29 HydrophobicContact CH2-CE 3.6Å; W4-M29 HydrophobicContact CH2-CG 3.82Å; W4-M29 HydrophobicContact CZ2-CE 3.85Å; W4-M29 HydrophobicContact CZ2-CG 4.11Å; W4-R32 HydrophobicContact CD2-CG 4.07Å; W4-R32 HydrophobicContact CE3-CG 3.6Å; W4-R32 HydrophobicContact CH2-CG 3.85Å; W4-R32 HydrophobicContact CZ2-CG 4.28Å; W4-R32 HydrophobicContact CZ3-CG 3.49Å; W4-R32 VanDerWaalsContact CZ3-CG 3.49Å; W4-H33 AromaticContact CE2-ND1 3.92Å; W4-H33 HydrophobicContact CZ2-CB 4.09Å; W4-H33 AromaticContact NE1-CE1 3.97Å; W4-H33 AromaticContact NE1-CG 3.57Å; W4-H33 AromaticContact NE1-ND1 3.05Å; W4-H33 PolarHBondContact NE1-ND1 2.85Å; W4-E40 WeakPolarHBondContact CB-OE1 3.36Å; W4-E40 PolarHBondContact N-OE1 3.45Å; W4-E112 WeakPolarHBondContact CZ3-OE1 3.45Å
5D86.4Confident80.6Confident59 Ų5971.5 Ų71.532%0.31636%0.357SS..Hα-helixtrans-65.9-36.2179-63.3-38.3000111.2A2 Q3 R8 Q9A2-D5 WeakPolarHBondContact CB-OD2 3.47Å; A2-D5 PolarHBondContact N-OD2 3.05Å; A2-D5 PolarHBondContact O-N 3.44Å; Q3-D5 PolarHBondContact O-N 3.02Å; D5-R8 PolarHBondContact O-N 3.17Å; D5-Q9 WeakPolarHBondContact O-CG 3.45Å; D5-Q9 PolarHBondContact O-N 2.69Å
6R86.6Confident80.4Confident123 Ų12374 Ų7446%0.46437%0.367SS..Hα-helixtrans-65.5-44174.9-68.3-177.8-178.6-171.80.7111.6M1 A2 Q3 W4 R8 Q9 L116M1-R6 HydrophobicContact CE-CG 3.62Å; A2-R6 PolarHBondContact O-N 3.28Å; Q3-R6 PolarHBondContact O-N 3.17Å; W4-R6 VanDerWaalsContact C-N 3.29Å; W4-R6 PolarHBondContact O-N 3.06Å; R6-R8 VanDerWaalsContact C-N 3.28Å; R6-R8 PolarHBondContact O-N 2.79Å; R6-Q9 PolarHBondContact O-N 3.24Å; R6-Q9 VanDerWaalsContact O-N 3.08Å; R6-L116 HydrophobicContact CB-CD1 4.46Å; R6-L116 HydrophobicContact CB-CD2 3.88Å
7L87.3Confident80.4Confident1 Ų174.3 Ų74.31%0.00537%0.367CS..Hα-helixtrans-60-38.5177-73.8164.8000112.5Q3 W4 Q9 L10 L18 E112 I115 L116Q3-L7 HydrophobicContact CG-CD1 4.48Å; Q3-L7 PolarHBondContact O-N 3.16Å; Q3-L7 VanDerWaalsContact O-N 3.11Å; W4-L7 HydrophobicContact CE3-CD1 3.91Å; W4-L7 HydrophobicContact CZ3-CD1 4.28Å; W4-L7 PolarHBondContact O-N 3.37Å; L7-Q9 PolarHBondContact O-N 2.96Å; L7-L10 HydrophobicContact CD2-CD1 3.9Å; L7-L10 WeakPolarHBondContact O-CB 3.34Å; L7-L10 WeakPolarHBondContact O-CG 3.35Å; L7-L10 PolarHBondContact O-N 3.34Å; L7-L18 HydrophobicContact CB-CD2 4.31Å; L7-L18 HydrophobicContact CD1-CD1 4.15Å; L7-L18 HydrophobicContact CD2-CD1 4.35Å; L7-E112 HydrophobicContact CD1-CB 3.82Å; L7-E112 VanDerWaalsContact CD1-CD 3.47Å; L7-E112 HydrophobicContact CD1-CG 3.55Å; L7-I115 HydrophobicContact CD2-CB 4.42Å; L7-I115 HydrophobicContact CD2-CG2 4.11Å; L7-L116 HydrophobicContact CD2-CD1 4.3Å; L7-L116 HydrophobicContact CD2-CD2 3.86Å; L7-L116 HydrophobicContact CD2-CG 3.68Å; L7-L116 HydrophobicContact CG-CD1 4.22Å; L7-L116 HydrophobicContact CG-CD2 4.09Å; L7-L116 HydrophobicContact CG-CG 4.08Å
8R85Confident80.8Confident137 Ų13770.7 Ų70.752%0.51735%0.35SS..Hα-helixtrans-67.1-18.9177.5-71.8177.964.9-161.3-0.1113.9W4 D5 R6W4-R8 WeakPolarHBondContact O-CG 3.44Å; W4-R8 PolarHBondContact O-N 3.37Å; W4-R8 VanDerWaalsContact O-N 3.09Å; D5-R8 PolarHBondContact O-N 3.17Å; R6-R8 VanDerWaalsContact C-N 3.28Å; R6-R8 PolarHBondContact O-N 2.79Å
9Q84Confident80.9Confident142 Ų14272.2 Ų72.266%0.66436%0.355SS*.THydrogen-bonded Turntrans-90.4-5.3178.1-68.3172.9-1.700112.9D5 R6 L7D5-Q9 WeakPolarHBondContact O-CG 3.45Å; D5-Q9 PolarHBondContact O-N 2.69Å; R6-Q9 PolarHBondContact O-N 3.24Å; R6-Q9 VanDerWaalsContact O-N 3.08Å; L7-Q9 PolarHBondContact O-N 2.96Å
10L84.1Confident81Confident33 Ų3372.7 Ų72.717%0.17336%0.357CS..SBendtrans-71160.8178.3-60.6-178.1000112.4L7 Y14 W15 I115 L116 A119L7-L10 HydrophobicContact CD2-CD1 3.9Å; L7-L10 WeakPolarHBondContact O-CB 3.34Å; L7-L10 WeakPolarHBondContact O-CG 3.35Å; L7-L10 PolarHBondContact O-N 3.34Å; L10-Y14 HydrophobicContact CB-CD2 4.27Å; L10-Y14 HydrophobicContact CB-CG 4.38Å; L10-Y14 HydrophobicContact CD1-CG 4.12Å; L10-W15 PolarHBondContact O-NE1 2.89Å; L10-I115 HydrophobicContact CD1-CG2 4Å; L10-L116 HydrophobicContact CD1-CD2 4.05Å; L10-L116 HydrophobicContact CD2-CD2 4.27Å; L10-L116 HydrophobicContact CG-CD2 4.37Å; L10-A119 HydrophobicContact CD1-CB 4.21Å; L10-A119 HydrophobicContact CD2-CB 3.62Å
11S76.5Confident81.2Confident68 Ų6870 Ų7048%0.47634%0.344SS..  trans-69.6162.9175.663.40000112.7T13 Y14 W15S11-T13 PolarHBondContact O-N 2.82Å; S11-Y14 PolarHBondContact O-N 3.07Å; S11-Y14 WeakPolarHBondContact OG-CD2 3.35Å; S11-W15 PolarHBondContact O-N 3.49Å
12A73.5Confident82.5Confident73 Ų7363.9 Ų63.960%0.60331%0.313SS*.Hα-helixtrans-54.7-29.9-174.300000114.1Y14 W15 Q16A12-Y14 VanDerWaalsContact C-N 3.35Å; A12-Y14 PolarHBondContact O-N 3.08Å; A12-W15 WeakPolarHBondContact O-CB 3.49Å; A12-W15 PolarHBondContact O-N 3.04Å; A12-Q16 PolarHBondContact O-N 3.07Å
13T70.9Confident82.7Confident87 Ų8768.8 Ų68.853%0.53434%0.337SS..Hα-helixtrans-62.9-39.3178.5-38.60000112.3S11S11-T13 PolarHBondContact O-N 2.82Å
14Y81.3Confident81.9Confident29 Ų2972.4 Ų72.411%0.11435%0.349CS..Hα-helixtrans-80.1-24.6177.2-61.3-75.8000112.3L10 S11 A12 Q16 Q17 L18 I115 S118 A119 S122L10-Y14 HydrophobicContact CB-CD2 4.27Å; L10-Y14 HydrophobicContact CB-CG 4.38Å; L10-Y14 HydrophobicContact CD1-CG 4.12Å; S11-Y14 PolarHBondContact O-N 3.07Å; S11-Y14 WeakPolarHBondContact OG-CD2 3.35Å; A12-Y14 VanDerWaalsContact C-N 3.35Å; A12-Y14 PolarHBondContact O-N 3.08Å; Y14-Q16 VanDerWaalsContact C-N 3.3Å; Y14-Q16 PolarHBondContact O-N 3.37Å; Y14-Q17 PolarHBondContact O-N 3.45Å; Y14-L18 WeakPolarHBondContact O-CB 3.39Å; Y14-L18 PolarHBondContact O-N 3.15Å; Y14-I115 HydrophobicContact CD1-CG2 4.03Å; Y14-S118 WeakPolarHBondContact CE1-OG 3.23Å; Y14-A119 HydrophobicContact CD1-CB 4.11Å; Y14-A119 HydrophobicContact CD2-CB 4.05Å; Y14-A119 HydrophobicContact CE1-CB 3.84Å; Y14-A119 HydrophobicContact CE2-CB 3.78Å; Y14-A119 HydrophobicContact CG-CB 4.22Å; Y14-A119 VanDerWaalsContact CZ-CA 3.47Å; Y14-A119 WeakPolarHBondContact OH-CA 3.43Å; Y14-S122 WeakPolarHBondContact OH-CB 3.49Å; Y14-S122 PolarHBondContact OH-OG 3.02Å
15W79.1Confident80.7Confident121 Ų12179.9 Ų79.946%0.45839%0.389SS..Hα-helixtrans-63.3-38171.5-69.2-0.1000111.8L10 S11 A12 Q17 L18 H19L10-W15 PolarHBondContact O-NE1 2.89Å; S11-W15 PolarHBondContact O-N 3.49Å; A12-W15 WeakPolarHBondContact O-CB 3.49Å; A12-W15 PolarHBondContact O-N 3.04Å; W15-Q17 VanDerWaalsContact C-N 3.34Å; W15-Q17 PolarHBondContact O-N 3.34Å; W15-L18 PolarHBondContact O-N 3.39Å; W15-H19 PolarHBondContact O-CD2 3.11Å; W15-H19 PolarHBondContact O-N 3.26Å
16Q78Confident80.3Confident112 Ų11277.6 Ų77.652%0.52338%0.38SS..Hα-helixtrans-62-43.4174.6-172.9176.9-17.900111.6A12 Y14 L18 H19 E20A12-Q16 PolarHBondContact O-N 3.07Å; Y14-Q16 VanDerWaalsContact C-N 3.3Å; Y14-Q16 PolarHBondContact O-N 3.37Å; Q16-L18 VanDerWaalsContact C-N 3.3Å; Q16-L18 PolarHBondContact O-N 3.46Å; Q16-H19 PolarHBondContact O-N 3.13Å; Q16-E20 PolarHBondContact NE2-OE1 3.24Å; Q16-E20 VanDerWaalsContact NE2-OE1 3.15Å; Q16-E20 WeakPolarHBondContact O-CG 3.25Å; Q16-E20 PolarHBondContact O-N 3.12Å
17Q81.1Confident80.3Confident79 Ų7971.8 Ų71.837%0.36936%0.358SS..Hα-helixtrans-62.3-38.6175.1-63-179.610.600111.9Y14 W15 E20 L21 I115Y14-Q17 PolarHBondContact O-N 3.45Å; W15-Q17 VanDerWaalsContact C-N 3.34Å; W15-Q17 PolarHBondContact O-N 3.34Å; Q17-E20 PolarHBondContact O-N 2.92Å; Q17-L21 WeakPolarHBondContact O-CB 3.48Å; Q17-L21 PolarHBondContact O-N 2.86Å; Q17-I115 HydrophobicContact CB-CD1 4.31Å
18L86.6Confident80.5Confident10 Ų1073 Ų735%0.05237%0.365CS..Hα-helixtrans-66.5-41.4176.2-167.568000111.5W4 L7 Y14 W15 Q16 L21 Y22 M29 E112 I115W4-L18 HydrophobicContact CH2-CD2 4.19Å; W4-L18 HydrophobicContact CZ3-CD1 4.26Å; W4-L18 HydrophobicContact CZ3-CD2 4.19Å; L7-L18 HydrophobicContact CB-CD2 4.31Å; L7-L18 HydrophobicContact CD1-CD1 4.15Å; L7-L18 HydrophobicContact CD2-CD1 4.35Å; Y14-L18 WeakPolarHBondContact O-CB 3.39Å; Y14-L18 PolarHBondContact O-N 3.15Å; W15-L18 PolarHBondContact O-N 3.39Å; Q16-L18 VanDerWaalsContact C-N 3.3Å; Q16-L18 PolarHBondContact O-N 3.46Å; L18-L21 HydrophobicContact CD1-CD2 4.47Å; L18-L21 WeakPolarHBondContact O-CB 3.44Å; L18-L21 PolarHBondContact O-N 3.12Å; L18-Y22 HydrophobicContact CD1-CD2 4.05Å; L18-Y22 HydrophobicContact CD1-CE2 3.8Å; L18-Y22 HydrophobicContact CG-CD2 4.16Å; L18-Y22 HydrophobicContact CG-CE2 4.35Å; L18-Y22 WeakPolarHBondContact O-CD2 3.39Å; L18-Y22 PolarHBondContact O-N 3.01Å; L18-Y22 VanDerWaalsContact O-N 3.13Å; L18-M29 HydrophobicContact CD2-CE 4.18Å; L18-E112 HydrophobicContact CD1-CG 4.29Å; L18-I115 HydrophobicContact CD1-CD1 4.37Å
19H83.6Confident80.8Confident98 Ų9869.4 Ų69.445%0.45436%0.355SS..Hα-helixtrans-61.1-47.3173.4-76.5-58.3000111.4W15 Q16 L21 Y22 D23W15-H19 PolarHBondContact O-CD2 3.11Å; W15-H19 PolarHBondContact O-N 3.26Å; Q16-H19 PolarHBondContact O-N 3.13Å; H19-L21 PolarHBondContact O-N 3.42Å; H19-Y22 PolarHBondContact O-N 3.11Å; H19-Y22 VanDerWaalsContact O-N 3.12Å; H19-D23 VanDerWaalsContact O-CG 3.3Å; H19-D23 PolarHBondContact O-N 3.34Å
20E81.8Confident81.1Confident83 Ų8364.7 Ų64.739%0.38834%0.335SS..Hα-helixtrans-61.9-31.4177.3-71.8175.2-169.200113Q16 Q17Q16-E20 PolarHBondContact NE2-OE1 3.24Å; Q16-E20 VanDerWaalsContact NE2-OE1 3.15Å; Q16-E20 WeakPolarHBondContact O-CG 3.25Å; Q16-E20 PolarHBondContact O-N 3.12Å; Q17-E20 PolarHBondContact O-N 2.92Å
21L86.1Confident81.4Confident16 Ų1663.1 Ų63.18%0.08433%0.326CS..Hα-helixtrans-65.3-47.5173.5-179.862.9000111.1Q17 L18 H19 W107 F108 K111 E112 I115Q17-L21 WeakPolarHBondContact O-CB 3.48Å; Q17-L21 PolarHBondContact O-N 2.86Å; L18-L21 HydrophobicContact CD1-CD2 4.47Å; L18-L21 WeakPolarHBondContact O-CB 3.44Å; L18-L21 PolarHBondContact O-N 3.12Å; H19-L21 PolarHBondContact O-N 3.42Å; L21-W107 HydrophobicContact CD1-CH2 3.67Å; L21-W107 HydrophobicContact CD1-CZ3 3.57Å; L21-F108 HydrophobicContact CD1-CD1 4.09Å; L21-F108 HydrophobicContact CD1-CE1 4.19Å; L21-F108 HydrophobicContact CD2-CD1 4.23Å; L21-F108 HydrophobicContact CG-CD1 3.85Å; L21-F108 HydrophobicContact CG-CE1 3.99Å; L21-F108 VanDerWaalsContact O-CE1 3.32Å; L21-F108 WeakPolarHBondContact O-CE1 3.46Å; L21-K111 HydrophobicContact CD1-CB 3.72Å; L21-K111 HydrophobicContact CD1-CG 4.13Å; L21-K111 HydrophobicContact CD2-CB 3.92Å; L21-E112 HydrophobicContact CD2-CG 4.03Å; L21-I115 HydrophobicContact CD2-CD1 4.2Å
22Y87.4Confident82.2Confident18 Ų1859.9 Ų59.97%0.07130%0.304CS..Hα-helixtrans-84.1-11.8-175.2-81.3-76.1000115.1W4 L18 H19 R24 L27 M29 R32 F108 E112W4-Y22 HydrophobicContact CH2-CD2 4.46Å; W4-Y22 HydrophobicContact CH2-CE2 4.02Å; W4-Y22 AromaticContact CZ3-CE2 3.73Å; W4-Y22 HydrophobicContact CZ3-CE2 3.73Å; L18-Y22 HydrophobicContact CD1-CD2 4.05Å; L18-Y22 HydrophobicContact CD1-CE2 3.8Å; L18-Y22 HydrophobicContact CG-CD2 4.16Å; L18-Y22 HydrophobicContact CG-CE2 4.35Å; L18-Y22 WeakPolarHBondContact O-CD2 3.39Å; L18-Y22 PolarHBondContact O-N 3.01Å; L18-Y22 VanDerWaalsContact O-N 3.13Å; H19-Y22 PolarHBondContact O-N 3.11Å; H19-Y22 VanDerWaalsContact O-N 3.12Å; Y22-R24 PolarHBondContact O-N 3.47Å; Y22-L27 VanDerWaalsContact CD1-O 3.28Å; Y22-L27 WeakPolarHBondContact CD1-O 3.32Å; Y22-L27 HydrophobicContact CE1-CD2 4.28Å; Y22-L27 HydrophobicContact CE1-CG 4.32Å; Y22-M29 HydrophobicContact CD1-CB 3.88Å; Y22-M29 HydrophobicContact CD1-CG 4.2Å; Y22-M29 HydrophobicContact CD2-CG 4.27Å; Y22-M29 HydrophobicContact CG-CB 3.96Å; Y22-M29 HydrophobicContact CG-CG 3.95Å; Y22-R32 HydrophobicContact CE1-CB 3.81Å; Y22-R32 HydrophobicContact CE1-CG 4.04Å; Y22-R32 VanDerWaalsContact OH-CD 3.22Å; Y22-R32 WeakPolarHBondContact OH-CD 3.43Å; Y22-R32 WeakPolarHBondContact OH-CG 3.37Å; Y22-F108 HydrophobicContact CD1-CD1 4.32Å; Y22-F108 HydrophobicContact CD1-CE1 4.08Å; Y22-F108 AromaticContact CE1-CD1 3.84Å; Y22-F108 HydrophobicContact CE1-CD1 3.84Å; Y22-F108 HydrophobicContact CE1-CE1 4.05Å; Y22-F108 AromaticContact CZ-CD1 3.93Å; Y22-E112 PolarHBondContact OH-OE1 2.99Å
23D78.3Confident83.1Confident122 Ų12259.7 Ų59.765%0.65229%0.29SS*.THydrogen-bonded Turntrans-66.4-13.5168.2-79.9-11.9000112.4H19H19-D23 VanDerWaalsContact O-CG 3.3Å; H19-D23 PolarHBondContact O-N 3.34Å
24R72.2Confident84Confident106 Ų10659.1 Ų59.140%0.428%0.279SS..SBendtrans-75.7134.5175-65.8-174.8179.8-118-5.9111.3Y22 G26 F108 E568Y22-R24 PolarHBondContact O-N 3.47Å; R24-G26 PolarHBondContact O-N 3.02Å; R24-F108 HydrophobicContact CB-CZ 4.39Å; R24-E568 IonicContact CZ-OE1 3.02Å; R24-E568 IonicContact NH1-OE1 2.82Å; R24-E568 IonicContact NH2-OE1 3.64Å; R24-E568 PolarHBondContact NH2-OE1 3.24Å; R24-E568 IonicContact NH2-OE2 2.65Å
25D65.6Low84.6Confident160 Ų16058 Ų5886%0.85628%0.275SS*.SBendtrans-65.894.8173.9-75.7-38.9000111.4
26G77.2Confident85.2Confident11 Ų1153 Ų5311%0.11326%0.259CS..SBendtrans-163.4-69.6177.700000113.1R24R24-G26 PolarHBondContact O-N 3.02Å
27L87.5Confident85.8Confident2 Ų250.3 Ų50.31%0.0126%0.255CS..SBendtrans-120.2111179.6179.662.4000109.3Y22 M29 V31 R32 F91 I105 F108Y22-L27 VanDerWaalsContact CD1-O 3.28Å; Y22-L27 WeakPolarHBondContact CD1-O 3.32Å; Y22-L27 HydrophobicContact CE1-CD2 4.28Å; Y22-L27 HydrophobicContact CE1-CG 4.32Å; L27-M29 PolarHBondContact O-N 2.6Å; L27-V31 HydrophobicContact CD1-CG1 4.24Å; L27-R32 HydrophobicContact CD2-CB 4.31Å; L27-R32 HydrophobicContact CG-CB 4.5Å; L27-F91 HydrophobicContact CD1-CE1 4.47Å; L27-F91 HydrophobicContact CD1-CZ 4.03Å; L27-I105 HydrophobicContact CD1-CG1 4.36Å; L27-I105 HydrophobicContact CD2-CG1 4.49Å; L27-F108 HydrophobicContact CB-CD2 3.78Å; L27-F108 HydrophobicContact CB-CE2 3.81Å; L27-F108 HydrophobicContact CB-CG 4.18Å; L27-F108 HydrophobicContact CB-CZ 4.19Å; L27-F108 HydrophobicContact CD2-CB 4.15Å; L27-F108 HydrophobicContact CD2-CD2 4.45Å; L27-F108 HydrophobicContact CD2-CG 4.24Å
28P90.6Very high86.4Confident25 Ų2548.7 Ų48.716%0.16225%0.246CC..  trans-61.7135.3178.1-22.933.9000112D30 V31 R32 Y87 F91P28-D30 PolarHBondContact O-N 3.29Å; P28-V31 HydrophobicContact CB-CB 4.39Å; P28-V31 HydrophobicContact CB-CG2 3.96Å; P28-V31 HydrophobicContact CG-CG2 4.16Å; P28-V31 WeakPolarHBondContact O-CB 3.11Å; P28-V31 PolarHBondContact O-N 3.46Å; P28-R32 PolarHBondContact O-N 3.06Å; P28-Y87 HydrophobicContact CB-CD1 3.66Å; P28-Y87 HydrophobicContact CB-CD2 4.24Å; P28-Y87 HydrophobicContact CB-CE1 3.68Å; P28-Y87 HydrophobicContact CB-CE2 4.25Å; P28-Y87 HydrophobicContact CB-CG 3.97Å; P28-Y87 HydrophobicContact CG-CD1 3.51Å; P28-Y87 HydrophobicContact CG-CE1 3.97Å; P28-Y87 HydrophobicContact CG-CG 3.9Å; P28-F91 HydrophobicContact CG-CZ 4.42Å
29M91Very high86.7Confident62 Ų6248.2 Ų48.231%0.30524%0.243SC..Hα-helixtrans-58.8-35.8-178.2-164.4-177.1-174.400112.5W4 L18 Y22 L27 V31 R32 H33W4-M29 HydrophobicContact CH2-CE 3.6Å; W4-M29 HydrophobicContact CH2-CG 3.82Å; W4-M29 HydrophobicContact CZ2-CE 3.85Å; W4-M29 HydrophobicContact CZ2-CG 4.11Å; L18-M29 HydrophobicContact CD2-CE 4.18Å; Y22-M29 HydrophobicContact CD1-CB 3.88Å; Y22-M29 HydrophobicContact CD1-CG 4.2Å; Y22-M29 HydrophobicContact CD2-CG 4.27Å; Y22-M29 HydrophobicContact CG-CB 3.96Å; Y22-M29 HydrophobicContact CG-CG 3.95Å; L27-M29 PolarHBondContact O-N 2.6Å; M29-V31 VanDerWaalsContact C-N 3.34Å; M29-V31 PolarHBondContact O-N 2.87Å; M29-R32 WeakPolarHBondContact O-CB 3.3Å; M29-R32 PolarHBondContact O-N 2.98Å; M29-H33 VanDerWaalsContact O-CB 3.31Å; M29-H33 WeakPolarHBondContact O-CB 3.34Å; M29-H33 PolarHBondContact O-N 3.42Å
30D90Very high87.2Confident43 Ų4346 Ų4623%0.2323%0.234CC..Hα-helixtrans-61.1-42.8175.1-61.7-76.3000111.6P28 H33 Y34 Y87P28-D30 PolarHBondContact O-N 3.29Å; D30-H33 PolarHBondContact O-N 2.95Å; D30-Y34 HydrophobicContact CB-CD2 4.24Å; D30-Y34 HydrophobicContact CB-CE2 4.21Å; D30-Y34 WeakPolarHBondContact O-CD2 3.47Å; D30-Y34 PolarHBondContact O-N 3.05Å; D30-Y87 HydrophobicContact CB-CD2 4.32Å; D30-Y87 HydrophobicContact CB-CE2 3.54Å; D30-Y87 WeakPolarHBondContact OD2-CE2 3.43Å; D30-Y87 VanDerWaalsContact OD2-CZ 3.3Å; D30-Y87 PolarHBondContact OD2-OH 3.35Å
31V91.5Very high87.7Confident0 Ų050 Ų500%025%0.249CC..Hα-helixtrans-65.5-44.5178.4177.20000109.6L27 P28 M29 H33 L35 L61 L65 Y87 F91L27-V31 HydrophobicContact CD1-CG1 4.24Å; P28-V31 HydrophobicContact CB-CB 4.39Å; P28-V31 HydrophobicContact CB-CG2 3.96Å; P28-V31 HydrophobicContact CG-CG2 4.16Å; P28-V31 WeakPolarHBondContact O-CB 3.11Å; P28-V31 PolarHBondContact O-N 3.46Å; M29-V31 VanDerWaalsContact C-N 3.34Å; M29-V31 PolarHBondContact O-N 2.87Å; V31-H33 VanDerWaalsContact C-N 3.27Å; V31-H33 PolarHBondContact O-N 3.36Å; V31-L35 HydrophobicContact CG1-CD1 4.13Å; V31-L35 WeakPolarHBondContact O-CB 3.48Å; V31-L35 PolarHBondContact O-N 3.08Å; V31-L61 HydrophobicContact CG1-CD1 4.34Å; V31-L65 HydrophobicContact CG1-CD2 4.14Å; V31-L65 HydrophobicContact CG2-CD2 4.03Å; V31-Y87 HydrophobicContact CG2-CD2 3.71Å; V31-Y87 HydrophobicContact CG2-CG 3.9Å; V31-F91 HydrophobicContact CB-CE2 4.44Å; V31-F91 HydrophobicContact CG1-CE2 4Å; V31-F91 HydrophobicContact CG1-CZ 4.13Å; V31-F91 HydrophobicContact CG2-CE2 3.95Å; V31-F91 HydrophobicContact CG2-CZ 4.42Å
32R92.7Very high88.1Confident0 Ų051.7 Ų51.70%026%0.257CS..Hα-helixtrans-56.5-41.5172.4174.970.5-178.796.5-5.6112.1W4 Y22 L27 P28 M29 S36 E40 E112W4-R32 HydrophobicContact CD2-CG 4.07Å; W4-R32 HydrophobicContact CE3-CG 3.6Å; W4-R32 HydrophobicContact CH2-CG 3.85Å; W4-R32 HydrophobicContact CZ2-CG 4.28Å; W4-R32 HydrophobicContact CZ3-CG 3.49Å; W4-R32 VanDerWaalsContact CZ3-CG 3.49Å; Y22-R32 HydrophobicContact CE1-CB 3.81Å; Y22-R32 HydrophobicContact CE1-CG 4.04Å; Y22-R32 VanDerWaalsContact OH-CD 3.22Å; Y22-R32 WeakPolarHBondContact OH-CD 3.43Å; Y22-R32 WeakPolarHBondContact OH-CG 3.37Å; L27-R32 HydrophobicContact CD2-CB 4.31Å; L27-R32 HydrophobicContact CG-CB 4.5Å; P28-R32 PolarHBondContact O-N 3.06Å; M29-R32 WeakPolarHBondContact O-CB 3.3Å; M29-R32 PolarHBondContact O-N 2.98Å; R32-S36 WeakPolarHBondContact O-CA 2.89Å; R32-S36 WeakPolarHBondContact O-CB 3.22Å; R32-S36 PolarHBondContact O-N 3.26Å; R32-S36 VanDerWaalsContact O-N 3.07Å; R32-E40 IonicContact CZ-OE1 3.61Å; R32-E40 VanDerWaalsContact CZ-OE1 3.3Å; R32-E40 IonicContact NH1-OE1 2.74Å; R32-E40 PolarHBondContact NH1-OE1 2.92Å; R32-E40 IonicContact NH2-OE1 3.65Å; R32-E40 PolarHBondContact NH2-OE1 3.45Å; R32-E112 IonicContact CZ-OE1 3.52Å; R32-E112 IonicContact CZ-OE2 3.91Å; R32-E112 IonicContact NE-OE1 3.81Å; R32-E112 PolarHBondContact NE-OE1 3.4Å; R32-E112 IonicContact NE-OE2 2.79Å; R32-E112 PolarHBondContact NE-OE2 2.91Å; R32-E112 IonicContact NH2-OE1 2.62Å; R32-E112 IonicContact NH2-OE2 3.14Å; R32-E112 PolarHBondContact NH2-OE2 3.24Å
33H91.7Very high88.3Confident69 Ų6956.5 Ų56.532%0.31928%0.28SS..Hα-helixtrans-69.5-57.7-176.9-17898000111.6W4 M29 D30 V31 L35 S36W4-H33 AromaticContact CE2-ND1 3.92Å; W4-H33 HydrophobicContact CZ2-CB 4.09Å; W4-H33 AromaticContact NE1-CE1 3.97Å; W4-H33 AromaticContact NE1-CG 3.57Å; W4-H33 AromaticContact NE1-ND1 3.05Å; W4-H33 PolarHBondContact NE1-ND1 2.85Å; M29-H33 VanDerWaalsContact O-CB 3.31Å; M29-H33 WeakPolarHBondContact O-CB 3.34Å; M29-H33 PolarHBondContact O-N 3.42Å; D30-H33 PolarHBondContact O-N 2.95Å; V31-H33 VanDerWaalsContact C-N 3.27Å; V31-H33 PolarHBondContact O-N 3.36Å; H33-L35 PolarHBondContact O-N 3.3Å; H33-S36 WeakPolarHBondContact O-CB 3.31Å; H33-S36 PolarHBondContact O-N 3.11Å; H33-S36 PolarHBondContact O-OG 2.82Å
34Y91.4Very high89Confident75 Ų7551 Ų5129%0.29425%0.25SS..Hα-helixtrans-72.1-29.3-174.2-67.2-62.2000113.4D30 F72 Q80 I84D30-Y34 HydrophobicContact CB-CD2 4.24Å; D30-Y34 HydrophobicContact CB-CE2 4.21Å; D30-Y34 WeakPolarHBondContact O-CD2 3.47Å; D30-Y34 PolarHBondContact O-N 3.05Å; Y34-F72 AromaticContact CD1-CZ 3.81Å; Y34-F72 HydrophobicContact CD1-CZ 3.81Å; Y34-F72 HydrophobicContact CD2-CE2 4.27Å; Y34-F72 AromaticContact CD2-CZ 3.88Å; Y34-F72 HydrophobicContact CD2-CZ 3.88Å; Y34-F72 HydrophobicContact CE1-CE1 4.01Å; Y34-F72 AromaticContact CE1-CZ 3.56Å; Y34-F72 HydrophobicContact CE1-CZ 3.56Å; Y34-F72 HydrophobicContact CE2-CE2 4.21Å; Y34-F72 AromaticContact CE2-CZ 3.64Å; Y34-F72 HydrophobicContact CE2-CZ 3.64Å; Y34-F72 AromaticContact CG-CZ 3.98Å; Y34-F72 HydrophobicContact CG-CZ 3.98Å; Y34-F72 AromaticContact CZ-CZ 3.46Å; Y34-F72 VanDerWaalsContact CZ-CZ 3.46Å; Y34-Q80 VanDerWaalsContact OH-CD 3.3Å; Y34-Q80 PolarHBondContact OH-NE2 3Å; Y34-Q80 PolarHBondContact OH-OE1 2.94Å; Y34-I84 HydrophobicContact CD2-CD1 4.45Å
35L92.8Very high89.9Confident6 Ų650.9 Ų50.93%0.03125%0.254CS..THydrogen-bonded Turntrans-105.114.1178.3-57.5-177000113.2V31 H33 A37 W38 I39 L61 N64 L65 Q68V31-L35 HydrophobicContact CG1-CD1 4.13Å; V31-L35 WeakPolarHBondContact O-CB 3.48Å; V31-L35 PolarHBondContact O-N 3.08Å; H33-L35 PolarHBondContact O-N 3.3Å; L35-A37 VanDerWaalsContact C-N 3.35Å; L35-A37 PolarHBondContact O-N 2.71Å; L35-W38 PolarHBondContact O-N 3.07Å; L35-I39 HydrophobicContact CB-CD1 3.97Å; L35-I39 HydrophobicContact CB-CG1 4.09Å; L35-I39 WeakPolarHBondContact O-CG1 3.44Å; L35-I39 PolarHBondContact O-N 3Å; L35-L61 HydrophobicContact CD1-CD1 3.69Å; L35-N64 HydrophobicContact CD1-CB 3.9Å; L35-N64 HydrophobicContact CD2-CB 3.83Å; L35-L65 HydrophobicContact CD1-CD2 3.84Å; L35-L65 HydrophobicContact CD1-CG 4.14Å; L35-Q68 HydrophobicContact CD2-CG 3.57Å; L35-Q68 HydrophobicContact CG-CG 4.4Å
36S92.2Very high91.1Very high17 Ų1749.9 Ų49.912%0.11924%0.238CC..Hα-helixtrans-48.3-52-175.748.20000113.6R32 H33 W38 I39 E40R32-S36 WeakPolarHBondContact O-CA 2.89Å; R32-S36 WeakPolarHBondContact O-CB 3.22Å; R32-S36 PolarHBondContact O-N 3.26Å; R32-S36 VanDerWaalsContact O-N 3.07Å; H33-S36 WeakPolarHBondContact O-CB 3.31Å; H33-S36 PolarHBondContact O-N 3.11Å; H33-S36 PolarHBondContact O-OG 2.82Å; S36-W38 VanDerWaalsContact C-N 3.27Å; S36-W38 PolarHBondContact O-N 2.94Å; S36-I39 PolarHBondContact O-N 3.39Å; S36-E40 WeakPolarHBondContact O-CB 3.41Å; S36-E40 VanDerWaalsContact O-CG 3.26Å; S36-E40 WeakPolarHBondContact O-CG 3.45Å; S36-E40 PolarHBondContact O-N 3.05Å
37A90.3Very high91.8Very high55 Ų5549.4 Ų49.446%0.45523%0.233SC..Hα-helixtrans-65.2-26.6-17900000114L35 K41L35-A37 VanDerWaalsContact C-N 3.35Å; L35-A37 PolarHBondContact O-N 2.71Å; A37-K41 VanDerWaalsContact O-CD 3.24Å; A37-K41 WeakPolarHBondContact O-CD 3.42Å; A37-K41 WeakPolarHBondContact O-CE 3.37Å; A37-K41 VanDerWaalsContact O-CG 3.25Å; A37-K41 WeakPolarHBondContact O-CG 3.37Å
38W94.3Very high92Very high44 Ų4450.6 Ų50.617%0.16724%0.244CC..Hα-helixtrans-83.2-47.6175.7176.383.9000110.8L35 S36 E40 K41 Q42 W44 L57 V60 L61 N64L35-W38 PolarHBondContact O-N 3.07Å; S36-W38 VanDerWaalsContact C-N 3.27Å; S36-W38 PolarHBondContact O-N 2.94Å; W38-E40 VanDerWaalsContact C-N 3.32Å; W38-E40 PolarHBondContact O-N 3.19Å; W38-K41 PolarHBondContact O-N 2.98Å; W38-K41 VanDerWaalsContact O-N 3.15Å; W38-Q42 HydrophobicContact CD2-CG 4.35Å; W38-Q42 HydrophobicContact CH2-CG 4.21Å; W38-Q42 HydrophobicContact CZ2-CG 3.97Å; W38-Q42 WeakPolarHBondContact O-CG 3.23Å; W38-Q42 PolarHBondContact O-NE2 3.14Å; W38-W44 AromaticContact CH2-CH2 3.84Å; W38-W44 HydrophobicContact CH2-CH2 3.84Å; W38-W44 HydrophobicContact CH2-CZ2 4.1Å; W38-W44 AromaticContact CZ3-CH2 3.93Å; W38-W44 HydrophobicContact CZ3-CH2 3.93Å; W38-W44 AromaticContact CZ3-CZ2 3.86Å; W38-W44 HydrophobicContact CZ3-CZ2 3.86Å; W38-L57 HydrophobicContact CZ2-CD2 4.4Å; W38-V60 HydrophobicContact CZ2-CB 3.84Å; W38-V60 HydrophobicContact CZ2-CG1 3.45Å; W38-V60 VanDerWaalsContact CZ2-CG1 3.45Å; W38-L61 HydrophobicContact CE3-CD1 4.41Å; W38-L61 HydrophobicContact CH2-CB 3.75Å; W38-L61 HydrophobicContact CH2-CD1 4.47Å; W38-L61 HydrophobicContact CZ3-CB 3.9Å; W38-L61 HydrophobicContact CZ3-CD1 3.74Å; W38-L61 HydrophobicContact CZ3-CG 4.39Å; W38-N64 VanDerWaalsContact CD2-ND2 3.28Å; W38-N64 PolarHBondContact NE1-ND2 3.1Å
39I93.6Very high92Very high0 Ų058.8 Ų58.80%027%0.271CS..Hα-helixtrans-56.1-47.7-179.7-68.9173.7000110.1L35 S36 K41 Q42 W44 I105 L109L35-I39 HydrophobicContact CB-CD1 3.97Å; L35-I39 HydrophobicContact CB-CG1 4.09Å; L35-I39 WeakPolarHBondContact O-CG1 3.44Å; L35-I39 PolarHBondContact O-N 3Å; S36-I39 PolarHBondContact O-N 3.39Å; I39-K41 PolarHBondContact O-N 3.43Å; I39-K41 VanDerWaalsContact O-N 3.15Å; I39-Q42 PolarHBondContact O-N 3.21Å; I39-W44 HydrophobicContact CG2-CZ2 4.25Å; I39-W44 PolarHBondContact O-NE1 3.12Å; I39-I105 HydrophobicContact CG2-CG2 3.76Å; I39-L109 HydrophobicContact CG2-CD1 4.18Å; I39-L109 HydrophobicContact CG2-CD2 4.32Å
40E92.9Very high92.1Very high53 Ų5358.6 Ų58.625%0.24827%0.271CS..THydrogen-bonded Turntrans-68.3-15.7-176-68.2170.6-15700114.4A2 Q3 W4 R32 S36 W38 L109A2-E40 WeakPolarHBondContact CA-OE2 3.46Å; A2-E40 VanDerWaalsContact CB-OE2 3.27Å; A2-E40 WeakPolarHBondContact CB-OE2 3.44Å; Q3-E40 HydrophobicContact CB-CG 4.33Å; Q3-E40 VanDerWaalsContact N-CD 3.35Å; Q3-E40 PolarHBondContact N-OE1 3.17Å; Q3-E40 PolarHBondContact N-OE2 3.36Å; W4-E40 WeakPolarHBondContact CB-OE1 3.36Å; W4-E40 PolarHBondContact N-OE1 3.45Å; R32-E40 IonicContact CZ-OE1 3.61Å; R32-E40 VanDerWaalsContact CZ-OE1 3.3Å; R32-E40 IonicContact NH1-OE1 2.74Å; R32-E40 PolarHBondContact NH1-OE1 2.92Å; R32-E40 IonicContact NH2-OE1 3.65Å; R32-E40 PolarHBondContact NH2-OE1 3.45Å; S36-E40 WeakPolarHBondContact O-CB 3.41Å; S36-E40 VanDerWaalsContact O-CG 3.26Å; S36-E40 WeakPolarHBondContact O-CG 3.45Å; S36-E40 PolarHBondContact O-N 3.05Å; W38-E40 VanDerWaalsContact C-N 3.32Å; W38-E40 PolarHBondContact O-N 3.19Å; E40-L109 HydrophobicContact CG-CD2 4.33Å
41K92.6Very high92.2Very high166 Ų16662.7 Ų62.772%0.72228%0.284SS*.THydrogen-bonded Turntrans-87.5-11.6179.6-73.1177.4-174.71790113.9A37 W38 I39A37-K41 VanDerWaalsContact O-CD 3.24Å; A37-K41 WeakPolarHBondContact O-CD 3.42Å; A37-K41 WeakPolarHBondContact O-CE 3.37Å; A37-K41 VanDerWaalsContact O-CG 3.25Å; A37-K41 WeakPolarHBondContact O-CG 3.37Å; W38-K41 PolarHBondContact O-N 2.98Å; W38-K41 VanDerWaalsContact O-N 3.15Å; I39-K41 PolarHBondContact O-N 3.43Å; I39-K41 VanDerWaalsContact O-N 3.15Å
42Q93.8Very high92.2Very high51 Ų5164.7 Ų64.724%0.23831%0.305CS..SBendtrans-88.9151.7-174.2-46.3-49.6-49.500112W38 I39 W44 L57W38-Q42 HydrophobicContact CD2-CG 4.35Å; W38-Q42 HydrophobicContact CH2-CG 4.21Å; W38-Q42 HydrophobicContact CZ2-CG 3.97Å; W38-Q42 WeakPolarHBondContact O-CG 3.23Å; W38-Q42 PolarHBondContact O-NE2 3.14Å; I39-Q42 PolarHBondContact O-N 3.21Å; Q42-W44 VanDerWaalsContact C-N 3.34Å; Q42-W44 HydrophobicContact CB-CD2 4.22Å; Q42-W44 HydrophobicContact CB-CZ2 3.93Å; Q42-W44 HydrophobicContact CG-CZ2 3.84Å; Q42-W44 PolarHBondContact O-N 3.47Å; Q42-W44 VanDerWaalsContact O-N 3.12Å; Q42-L57 HydrophobicContact CB-CD1 4.1Å; Q42-L57 HydrophobicContact CB-CD2 4.12Å; Q42-L57 HydrophobicContact CG-CD2 4Å; Q42-L57 VanDerWaalsContact OE1-CD2 3.27Å
43E92.2Very high92.2Very high120 Ų12066.6 Ų66.656%0.56132%0.315SS*.  trans-8567.4176.2-61.8-170.7132.800111.7E45 R46 A47E43-E45 VanDerWaalsContact C-N 3.32Å; E43-E45 PolarHBondContact O-N 3.2Å; E43-R46 HydrophobicContact CB-CB 4.19Å; E43-R46 PolarHBondContact O-N 3.14Å; E43-R46 IonicContact OE2-NH1 3.66Å; E43-R46 PolarHBondContact OE2-NH1 3.47Å; E43-A47 PolarHBondContact O-N 2.88Å
44W93.2Very high92.2Very high7 Ų763.4 Ų63.43%0.02730%0.301CS..Hα-helixtrans-61.7-34.4-175.2-61.4108.2000114.1W38 I39 Q42 R46 A47 A48 L57 A102 I105 Q106W38-W44 AromaticContact CH2-CH2 3.84Å; W38-W44 HydrophobicContact CH2-CH2 3.84Å; W38-W44 HydrophobicContact CH2-CZ2 4.1Å; W38-W44 AromaticContact CZ3-CH2 3.93Å; W38-W44 HydrophobicContact CZ3-CH2 3.93Å; W38-W44 AromaticContact CZ3-CZ2 3.86Å; W38-W44 HydrophobicContact CZ3-CZ2 3.86Å; I39-W44 HydrophobicContact CG2-CZ2 4.25Å; I39-W44 PolarHBondContact O-NE1 3.12Å; Q42-W44 VanDerWaalsContact C-N 3.34Å; Q42-W44 HydrophobicContact CB-CD2 4.22Å; Q42-W44 HydrophobicContact CB-CZ2 3.93Å; Q42-W44 HydrophobicContact CG-CZ2 3.84Å; Q42-W44 PolarHBondContact O-N 3.47Å; Q42-W44 VanDerWaalsContact O-N 3.12Å; W44-R46 VanDerWaalsContact C-N 3.3Å; W44-R46 PolarHBondContact O-N 3.36Å; W44-A47 PolarHBondContact O-N 3.3Å; W44-A48 PolarHBondContact O-N 3.12Å; W44-L57 HydrophobicContact CE3-CD1 4.04Å; W44-L57 HydrophobicContact CH2-CB 4.31Å; W44-L57 HydrophobicContact CH2-CD1 4.49Å; W44-L57 HydrophobicContact CZ3-CB 4.03Å; W44-L57 HydrophobicContact CZ3-CD1 3.96Å; W44-A102 HydrophobicContact CE3-CB 4.04Å; W44-I105 HydrophobicContact CD2-CB 4.13Å; W44-I105 HydrophobicContact CD2-CG2 3.74Å; W44-I105 HydrophobicContact CE3-CB 4.3Å; W44-I105 HydrophobicContact CE3-CD1 4.19Å; W44-I105 HydrophobicContact CE3-CG2 4.35Å; W44-I105 HydrophobicContact CG-CG2 4.02Å; W44-I105 HydrophobicContact CH2-CD1 3.59Å; W44-I105 HydrophobicContact CZ2-CD1 3.99Å; W44-I105 HydrophobicContact CZ2-CG2 3.98Å; W44-I105 HydrophobicContact CZ3-CD1 3.7Å; W44-Q106 HydrophobicContact CB-CB 3.91Å
45E91.4Very high92.3Very high102 Ų10261.9 Ų61.948%0.47730%0.297SS..Hα-helixtrans-60.1-40.9176.1-169.4-170.8166.200111.9E43 R49E43-E45 VanDerWaalsContact C-N 3.32Å; E43-E45 PolarHBondContact O-N 3.2Å; E45-R49 IonicContact OE1-CZ 2.81Å; E45-R49 IonicContact OE1-NH1 2.79Å; E45-R49 IonicContact OE1-NH2 3.2Å; E45-R49 PolarHBondContact OE1-NH2 2.86Å
46R90.9Very high92.4Very high140 Ų14065.4 Ų65.453%0.52832%0.319SS..Hα-helixtrans-71.7-42.2176.2-175.1-179.2165.3-163.8-2.8110.8E43 W44 A48 R49 D50 L53E43-R46 HydrophobicContact CB-CB 4.19Å; E43-R46 PolarHBondContact O-N 3.14Å; E43-R46 IonicContact OE2-NH1 3.66Å; E43-R46 PolarHBondContact OE2-NH1 3.47Å; W44-R46 VanDerWaalsContact C-N 3.3Å; W44-R46 PolarHBondContact O-N 3.36Å; R46-A48 PolarHBondContact O-N 2.97Å; R46-R49 PolarHBondContact O-N 3.23Å; R46-D50 WeakPolarHBondContact O-CB 3.02Å; R46-D50 PolarHBondContact O-N 3.21Å; R46-L53 HydrophobicContact CB-CD2 4.03Å; R46-L53 HydrophobicContact CG-CD2 3.77Å
47A91.6Very high92.4Very high0 Ų065.1 Ų65.10%032%0.316CS..Hα-helixtrans-63-28.1177.500000113E43 W44 R49 L53 A54 L57 A102E43-A47 PolarHBondContact O-N 2.88Å; W44-A47 PolarHBondContact O-N 3.3Å; A47-R49 PolarHBondContact O-N 3.49Å; A47-L53 HydrophobicContact CB-CD2 4.16Å; A47-L53 HydrophobicContact CB-CG 4.09Å; A47-A54 HydrophobicContact CB-CB 4.47Å; A47-A54 WeakPolarHBondContact O-CB 3.49Å; A47-L57 HydrophobicContact CB-CD1 3.65Å; A47-A102 HydrophobicContact CB-CB 3.78Å
48A91.2Very high92.6Very high28 Ų2863 Ų6323%0.23130%0.296CS..THydrogen-bonded Turntrans-63.7-23.7173.300000113.1W44 R46 A102 S103W44-A48 PolarHBondContact O-N 3.12Å; R46-A48 PolarHBondContact O-N 2.97Å; A48-A102 HydrophobicContact CB-CB 4.49Å; A48-S103 WeakPolarHBondContact CB-OG 3.48Å
49R90.9Very high92.6Very high196 Ų19666.2 Ų66.274%0.7431%0.313SS*.THydrogen-bonded Turntrans-108.3-18.2-177.4-56-178.9-169152.514.9113.5E45 R46 A47E45-R49 IonicContact OE1-CZ 2.81Å; E45-R49 IonicContact OE1-NH1 2.79Å; E45-R49 IonicContact OE1-NH2 3.2Å; E45-R49 PolarHBondContact OE1-NH2 2.86Å; R46-R49 PolarHBondContact O-N 3.23Å; A47-R49 PolarHBondContact O-N 3.49Å
50D92.9Very high92.6Very high59 Ų5968.3 Ų68.332%0.31633%0.325SS..  trans-117.1105.3-176.7-177.5-15.9000110.8R46 G52 L53 A54R46-D50 WeakPolarHBondContact O-CB 3.02Å; R46-D50 PolarHBondContact O-N 3.21Å; D50-G52 VanDerWaalsContact C-N 3.3Å; D50-G52 PolarHBondContact O-N 3.49Å; D50-G52 PolarHBondContact OD1-N 2.77Å; D50-L53 HydrophobicContact CB-CB 4.08Å; D50-L53 PolarHBondContact O-N 2.81Å; D50-L53 PolarHBondContact OD1-N 3.33Å; D50-A54 WeakPolarHBondContact O-CB 3.5Å; D50-A54 PolarHBondContact O-N 2.54Å
51Y92.6Very high92.7Very high128 Ų12865.8 Ų65.850%0.50231%0.314SS..Hα-helixtrans-59.9-37.1-179.2-175.6-85.3000113.1A54 M55 P98 C99Y51-A54 PolarHBondContact O-N 2.8Å; Y51-M55 HydrophobicContact CE1-CB 4.44Å; Y51-M55 WeakPolarHBondContact O-CB 3.39Å; Y51-M55 PolarHBondContact O-N 2.87Å; Y51-P98 HydrophobicContact CD2-CG 3.89Å; Y51-P98 HydrophobicContact CE2-CG 3.55Å; Y51-C99 VanDerWaalsContact CA-SG 3.6Å
52G91.3Very high92.7Very high42 Ų4259.1 Ų59.143%0.43329%0.286SS..Hα-helixtrans-65.8-45.9-178.800000111.2D50 M55 V56D50-G52 VanDerWaalsContact C-N 3.3Å; D50-G52 PolarHBondContact O-N 3.49Å; D50-G52 PolarHBondContact OD1-N 2.77Å; G52-M55 PolarHBondContact O-N 3.21Å; G52-V56 WeakPolarHBondContact O-CG2 3.48Å; G52-V56 PolarHBondContact O-N 3.25Å
53L92.3Very high92.7Very high40 Ų4062.4 Ų62.421%0.20930%0.301CS..Hα-helixtrans-65.1-42.6174-177.961.4000111.7R46 A47 D50 M55 V56 L57R46-L53 HydrophobicContact CB-CD2 4.03Å; R46-L53 HydrophobicContact CG-CD2 3.77Å; A47-L53 HydrophobicContact CB-CD2 4.16Å; A47-L53 HydrophobicContact CB-CG 4.09Å; D50-L53 HydrophobicContact CB-CB 4.08Å; D50-L53 PolarHBondContact O-N 2.81Å; D50-L53 PolarHBondContact OD1-N 3.33Å; L53-M55 VanDerWaalsContact C-N 3.31Å; L53-M55 PolarHBondContact O-N 3.18Å; L53-V56 PolarHBondContact O-N 2.97Å; L53-L57 HydrophobicContact CD1-CD1 4.49Å; L53-L57 HydrophobicContact CD1-CG 4.34Å; L53-L57 HydrophobicContact CG-CD1 4.31Å; L53-L57 WeakPolarHBondContact O-CG 3.22Å; L53-L57 PolarHBondContact O-N 3.04Å
54A92.7Very high92.8Very high3 Ų358 Ų583%0.02528%0.282CS..Hα-helixtrans-58-43.817800000112.1A47 D50 Y51 L57 Y58 P98A47-A54 HydrophobicContact CB-CB 4.47Å; A47-A54 WeakPolarHBondContact O-CB 3.49Å; D50-A54 WeakPolarHBondContact O-CB 3.5Å; D50-A54 PolarHBondContact O-N 2.54Å; Y51-A54 PolarHBondContact O-N 2.8Å; A54-L57 PolarHBondContact O-N 3.02Å; A54-Y58 WeakPolarHBondContact O-CB 3.27Å; A54-Y58 PolarHBondContact O-N 3.23Å; A54-P98 HydrophobicContact CB-CB 3.85Å; A54-P98 HydrophobicContact CB-CG 4.16Å
55M92.9Very high92.8Very high43 Ų4357.7 Ų57.721%0.21228%0.281CS..Hα-helixtrans-68-38.6-179.3-169.160-162.900112.1Y51 G52 L53 Y58 Q59 P98Y51-M55 HydrophobicContact CE1-CB 4.44Å; Y51-M55 WeakPolarHBondContact O-CB 3.39Å; Y51-M55 PolarHBondContact O-N 2.87Å; G52-M55 PolarHBondContact O-N 3.21Å; L53-M55 VanDerWaalsContact C-N 3.31Å; L53-M55 PolarHBondContact O-N 3.18Å; M55-Y58 HydrophobicContact CE-CD1 3.74Å; M55-Y58 HydrophobicContact CE-CE1 4.05Å; M55-Y58 PolarHBondContact O-N 3.32Å; M55-Y58 HydrophobicContact SD-CD1 3.9Å; M55-Q59 HydrophobicContact CE-CG 4.09Å; M55-Q59 WeakPolarHBondContact O-CG 3.43Å; M55-Q59 PolarHBondContact O-N 2.94Å; M55-P98 HydrophobicContact CB-CG 4.39Å; M55-P98 HydrophobicContact SD-CB 4.41Å; M55-P98 HydrophobicContact SD-CG 4.18Å
56V93.8Very high92.8Very high80 Ų8056.1 Ų56.149%0.48528%0.275SS..Hα-helixtrans-62.9-49.1174.2171.90000110.5G52 L53 Y58 Q59 V60G52-V56 WeakPolarHBondContact O-CG2 3.48Å; G52-V56 PolarHBondContact O-N 3.25Å; L53-V56 PolarHBondContact O-N 2.97Å; V56-Y58 VanDerWaalsContact C-N 3.29Å; V56-Y58 PolarHBondContact O-N 3.15Å; V56-Q59 PolarHBondContact O-N 3.29Å; V56-V60 HydrophobicContact CG1-CG2 4.41Å; V56-V60 VanDerWaalsContact O-CG2 3.29Å; V56-V60 WeakPolarHBondContact O-CG2 3.25Å; V56-V60 PolarHBondContact O-N 2.91Å
57L93.8Very high93Very high11 Ų1152.8 Ų52.86%0.05827%0.267CS..Hα-helixtrans-63.2-36.6179.1-68.5-178.3000112.4W38 Q42 W44 A47 L53 A54 V60 L61W38-L57 HydrophobicContact CZ2-CD2 4.4Å; Q42-L57 HydrophobicContact CB-CD1 4.1Å; Q42-L57 HydrophobicContact CB-CD2 4.12Å; Q42-L57 HydrophobicContact CG-CD2 4Å; Q42-L57 VanDerWaalsContact OE1-CD2 3.27Å; W44-L57 HydrophobicContact CE3-CD1 4.04Å; W44-L57 HydrophobicContact CH2-CB 4.31Å; W44-L57 HydrophobicContact CH2-CD1 4.49Å; W44-L57 HydrophobicContact CZ3-CB 4.03Å; W44-L57 HydrophobicContact CZ3-CD1 3.96Å; A47-L57 HydrophobicContact CB-CD1 3.65Å; L53-L57 HydrophobicContact CD1-CD1 4.49Å; L53-L57 HydrophobicContact CD1-CG 4.34Å; L53-L57 HydrophobicContact CG-CD1 4.31Å; L53-L57 WeakPolarHBondContact O-CG 3.22Å; L53-L57 PolarHBondContact O-N 3.04Å; A54-L57 PolarHBondContact O-N 3.02Å; L57-V60 PolarHBondContact O-N 3.3Å; L57-L61 WeakPolarHBondContact O-CB 3.36Å; L57-L61 PolarHBondContact O-N 2.99Å
58Y94.2Very high92.9Very high9 Ų953.6 Ų53.64%0.03527%0.271CS..Hα-helixtrans-59.8-48.3173.5168.3-105000112A54 M55 V56 V60 L61 L62 F91 Q95 L101A54-Y58 WeakPolarHBondContact O-CB 3.27Å; A54-Y58 PolarHBondContact O-N 3.23Å; M55-Y58 HydrophobicContact CE-CD1 3.74Å; M55-Y58 HydrophobicContact CE-CE1 4.05Å; M55-Y58 PolarHBondContact O-N 3.32Å; M55-Y58 HydrophobicContact SD-CD1 3.9Å; V56-Y58 VanDerWaalsContact C-N 3.29Å; V56-Y58 PolarHBondContact O-N 3.15Å; Y58-V60 PolarHBondContact O-N 3.21Å; Y58-L61 WeakPolarHBondContact O-CB 3.44Å; Y58-L61 PolarHBondContact O-N 3.43Å; Y58-L62 HydrophobicContact CE1-CD1 3.82Å; Y58-L62 HydrophobicContact CE2-CD1 4.2Å; Y58-L62 HydrophobicContact CE2-CD2 4.27Å; Y58-L62 HydrophobicContact CE2-CG 4.24Å; Y58-L62 PolarHBondContact O-N 3.42Å; Y58-L62 VanDerWaalsContact O-N 3.12Å; Y58-F91 WeakPolarHBondContact CE2-O 2.99Å; Y58-F91 PolarHBondContact OH-O 3.25Å; Y58-Q95 HydrophobicContact CE1-CB 4.49Å; Y58-L101 HydrophobicContact CD2-CD2 3.77Å; Y58-L101 HydrophobicContact CE2-CD2 4.47Å
59Q93.3Very high92.9Very high113 Ų11354.9 Ų54.953%0.52827%0.272SS..Hα-helixtrans-62.3-44178-71.9179.8-16.300111.7M55 V56 L61 L62 E63M55-Q59 HydrophobicContact CE-CG 4.09Å; M55-Q59 WeakPolarHBondContact O-CG 3.43Å; M55-Q59 PolarHBondContact O-N 2.94Å; V56-Q59 PolarHBondContact O-N 3.29Å; Q59-L61 VanDerWaalsContact C-N 3.31Å; Q59-L61 PolarHBondContact O-N 3.23Å; Q59-L62 PolarHBondContact O-N 3.39Å; Q59-E63 PolarHBondContact O-N 2.93Å
60V94.4Very high93Very high43 Ų4348.5 Ų48.526%0.26126%0.258SS..Hα-helixtrans-66.1-33178179.10000111.5W38 V56 L57 Y58 E63 N64W38-V60 HydrophobicContact CZ2-CB 3.84Å; W38-V60 HydrophobicContact CZ2-CG1 3.45Å; W38-V60 VanDerWaalsContact CZ2-CG1 3.45Å; V56-V60 HydrophobicContact CG1-CG2 4.41Å; V56-V60 VanDerWaalsContact O-CG2 3.29Å; V56-V60 WeakPolarHBondContact O-CG2 3.25Å; V56-V60 PolarHBondContact O-N 2.91Å; L57-V60 PolarHBondContact O-N 3.3Å; Y58-V60 PolarHBondContact O-N 3.21Å; V60-E63 PolarHBondContact O-N 2.76Å; V60-N64 WeakPolarHBondContact O-CB 3.49Å; V60-N64 PolarHBondContact O-N 3.22Å; V60-N64 PolarHBondContact O-ND2 3.41Å
61L93.8Very high92.9Very high0 Ų051.6 Ų51.60%027%0.265CS..Hα-helixtrans-61.9-46.517217464.7000111.1V31 L35 W38 L57 Y58 Q59 E63 N64 L65 F91 L101V31-L61 HydrophobicContact CG1-CD1 4.34Å; L35-L61 HydrophobicContact CD1-CD1 3.69Å; W38-L61 HydrophobicContact CE3-CD1 4.41Å; W38-L61 HydrophobicContact CH2-CB 3.75Å; W38-L61 HydrophobicContact CH2-CD1 4.47Å; W38-L61 HydrophobicContact CZ3-CB 3.9Å; W38-L61 HydrophobicContact CZ3-CD1 3.74Å; W38-L61 HydrophobicContact CZ3-CG 4.39Å; L57-L61 WeakPolarHBondContact O-CB 3.36Å; L57-L61 PolarHBondContact O-N 2.99Å; Y58-L61 WeakPolarHBondContact O-CB 3.44Å; Y58-L61 PolarHBondContact O-N 3.43Å; Q59-L61 VanDerWaalsContact C-N 3.31Å; Q59-L61 PolarHBondContact O-N 3.23Å; L61-E63 VanDerWaalsContact C-N 3.34Å; L61-E63 PolarHBondContact O-N 2.94Å; L61-N64 PolarHBondContact O-N 3.38Å; L61-L65 WeakPolarHBondContact O-CG 3.38Å; L61-L65 PolarHBondContact O-N 2.98Å; L61-F91 HydrophobicContact CD2-CD1 4.45Å; L61-F91 HydrophobicContact CD2-CE1 4.48Å; L61-F91 HydrophobicContact CD2-CG 4.47Å; L61-L101 HydrophobicContact CD2-CD2 4.03Å
62L93.4Very high92.9Very high27 Ų2745.8 Ų45.814%0.14124%0.242CC..Hα-helixtrans-63.5-40178.3-63-174.4000112.1Y58 Q59 L65 D66 K88 F91Y58-L62 HydrophobicContact CE1-CD1 3.82Å; Y58-L62 HydrophobicContact CE2-CD1 4.2Å; Y58-L62 HydrophobicContact CE2-CD2 4.27Å; Y58-L62 HydrophobicContact CE2-CG 4.24Å; Y58-L62 PolarHBondContact O-N 3.42Å; Y58-L62 VanDerWaalsContact O-N 3.12Å; Q59-L62 PolarHBondContact O-N 3.39Å; L62-L65 HydrophobicContact CD2-CD1 4.47Å; L62-L65 WeakPolarHBondContact O-CB 3.42Å; L62-L65 PolarHBondContact O-N 3.01Å; L62-D66 PolarHBondContact O-N 2.77Å; L62-K88 HydrophobicContact CD2-CG 3.96Å; L62-F91 HydrophobicContact CD2-CB 4.11Å
63E93.9Very high92.9Very high119 Ų11947.3 Ų47.356%0.55624%0.243SC*.Hα-helixtrans-63.5-43.6175.7-173.6177.5-169.100111.4Q59 V60 L61 L65 D66 I67Q59-E63 PolarHBondContact O-N 2.93Å; V60-E63 PolarHBondContact O-N 2.76Å; L61-E63 VanDerWaalsContact C-N 3.34Å; L61-E63 PolarHBondContact O-N 2.94Å; E63-L65 VanDerWaalsContact C-N 3.28Å; E63-L65 PolarHBondContact O-N 3.03Å; E63-D66 WeakPolarHBondContact O-CB 3.38Å; E63-D66 PolarHBondContact O-N 3.28Å; E63-D66 VanDerWaalsContact O-N 3.09Å; E63-I67 HydrophobicContact CG-CD1 4.38Å; E63-I67 WeakPolarHBondContact O-CG1 3.45Å; E63-I67 PolarHBondContact O-N 2.91Å
64N93.6Very high92.8Very high29 Ų2953.1 Ų53.116%0.15527%0.269CS..Hα-helixtrans-60.8-36.8174.3-82.3-51.2000112.5L35 W38 V60 L61 I67 Q68L35-N64 HydrophobicContact CD1-CB 3.9Å; L35-N64 HydrophobicContact CD2-CB 3.83Å; W38-N64 VanDerWaalsContact CD2-ND2 3.28Å; W38-N64 PolarHBondContact NE1-ND2 3.1Å; V60-N64 WeakPolarHBondContact O-CB 3.49Å; V60-N64 PolarHBondContact O-N 3.22Å; V60-N64 PolarHBondContact O-ND2 3.41Å; L61-N64 PolarHBondContact O-N 3.38Å; N64-I67 PolarHBondContact O-N 3.17Å; N64-Q68 WeakPolarHBondContact O-CG 3.38Å; N64-Q68 PolarHBondContact O-N 2.84Å
65L93.6Very high92.6Very high0 Ų058.8 Ų58.80%030%0.295CS..Hα-helixtrans-65.5-37.1173.8-69.3172000112.1V31 L35 L61 L62 E63 Q68 H69 I84 K88 F91V31-L65 HydrophobicContact CG1-CD2 4.14Å; V31-L65 HydrophobicContact CG2-CD2 4.03Å; L35-L65 HydrophobicContact CD1-CD2 3.84Å; L35-L65 HydrophobicContact CD1-CG 4.14Å; L61-L65 WeakPolarHBondContact O-CG 3.38Å; L61-L65 PolarHBondContact O-N 2.98Å; L62-L65 HydrophobicContact CD2-CD1 4.47Å; L62-L65 WeakPolarHBondContact O-CB 3.42Å; L62-L65 PolarHBondContact O-N 3.01Å; E63-L65 VanDerWaalsContact C-N 3.28Å; E63-L65 PolarHBondContact O-N 3.03Å; L65-Q68 PolarHBondContact O-N 3.42Å; L65-H69 WeakPolarHBondContact O-CB 3.31Å; L65-H69 PolarHBondContact O-N 3.09Å; L65-I84 HydrophobicContact CB-CG2 4.3Å; L65-I84 HydrophobicContact CD2-CD1 4.28Å; L65-I84 HydrophobicContact CD2-CG2 4.32Å; L65-I84 WeakPolarHBondContact O-CG2 3.35Å; L65-K88 HydrophobicContact CD1-CB 4.11Å; L65-K88 HydrophobicContact CD1-CG 4.38Å; L65-F91 HydrophobicContact CD1-CD2 3.76Å; L65-F91 HydrophobicContact CD1-CE2 4.04Å
66D92.8Very high92.4Very high68 Ų6865 Ų6536%0.36432%0.323SS..Hα-helixtrans-66.1-38.2174-72.2-33000112.3L62 E63 H69 S70 K88L62-D66 PolarHBondContact O-N 2.77Å; E63-D66 WeakPolarHBondContact O-CB 3.38Å; E63-D66 PolarHBondContact O-N 3.28Å; E63-D66 VanDerWaalsContact O-N 3.09Å; D66-H69 PolarHBondContact O-N 3.09Å; D66-S70 PolarHBondContact O-N 2.89Å; D66-S70 PolarHBondContact O-OG 2.71Å; D66-K88 WeakPolarHBondContact OD1-CE 3.41Å; D66-K88 IonicContact OD1-NZ 3.79Å; D66-K88 PolarHBondContact OD1-NZ 3.19Å; D66-K88 IonicContact OD2-NZ 3.51Å; D66-K88 PolarHBondContact OD2-NZ 3.4Å
67I93.3Very high92.1Very high71 Ų7163.3 Ų63.336%0.36432%0.315SS..Hα-helixtrans-63.5-45.6173.7-65.4167000110.2E63 N64 S70 R71E63-I67 HydrophobicContact CG-CD1 4.38Å; E63-I67 WeakPolarHBondContact O-CG1 3.45Å; E63-I67 PolarHBondContact O-N 2.91Å; N64-I67 PolarHBondContact O-N 3.17Å; I67-S70 WeakPolarHBondContact O-CB 3.29Å; I67-S70 PolarHBondContact O-N 3.2Å; I67-R71 WeakPolarHBondContact O-CG 3.33Å; I67-R71 PolarHBondContact O-N 3.07Å; I67-R71 VanDerWaalsContact O-N 3.1Å
68Q90.6Very high91.9Very high16 Ų1670.3 Ų70.38%0.07535%0.346CS..Hα-helixtrans-65.2-40.3176.6-65.1-47.1-46.900112.3L35 N64 L65 S70 R71 F72L35-Q68 HydrophobicContact CD2-CG 3.57Å; L35-Q68 HydrophobicContact CG-CG 4.4Å; N64-Q68 WeakPolarHBondContact O-CG 3.38Å; N64-Q68 PolarHBondContact O-N 2.84Å; L65-Q68 PolarHBondContact O-N 3.42Å; Q68-S70 VanDerWaalsContact C-N 3.28Å; Q68-S70 PolarHBondContact O-N 2.98Å; Q68-R71 WeakPolarHBondContact O-CB 3.32Å; Q68-R71 PolarHBondContact O-N 2.89Å; Q68-R71 VanDerWaalsContact O-N 3.15Å; Q68-F72 HydrophobicContact CB-CE2 4.39Å; Q68-F72 WeakPolarHBondContact O-CD2 3.44Å; Q68-F72 PolarHBondContact O-N 2.87Å
69H91.7Very high91.7Very high56 Ų5675.6 Ų75.626%0.25937%0.374SS..Hα-helixtrans-57.4-45173.9179.8-82000111L65 D66 R71 F72 V73 I84L65-H69 WeakPolarHBondContact O-CB 3.31Å; L65-H69 PolarHBondContact O-N 3.09Å; D66-H69 PolarHBondContact O-N 3.09Å; H69-R71 VanDerWaalsContact C-N 3.29Å; H69-R71 PolarHBondContact O-N 3.41Å; H69-F72 PolarHBondContact O-N 3.03Å; H69-V73 WeakPolarHBondContact O-CG2 3.33Å; H69-V73 PolarHBondContact O-N 3.33Å; H69-I84 HydrophobicContact CB-CG2 3.95Å
70S92.1Very high91.7Very high62 Ų6272.1 Ų72.143%0.43436%0.357SS..Hα-helixtrans-61.6-35.9177.9-57.10000112.5D66 I67 Q68 V73 Q74D66-S70 PolarHBondContact O-N 2.89Å; D66-S70 PolarHBondContact O-OG 2.71Å; I67-S70 WeakPolarHBondContact O-CB 3.29Å; I67-S70 PolarHBondContact O-N 3.2Å; Q68-S70 VanDerWaalsContact C-N 3.28Å; Q68-S70 PolarHBondContact O-N 2.98Å; S70-V73 PolarHBondContact O-N 3.47Å; S70-Q74 WeakPolarHBondContact O-CG 3.32Å; S70-Q74 PolarHBondContact O-N 3.22Å
71R91.8Very high91.4Very high124 Ų12472 Ų7247%0.46835%0.354SS..Hα-helixtrans-65.3-45.9172.8-67.7174.4-176.9-177.2-1.9111.8I67 Q68 H69 V73 Q74 E75I67-R71 WeakPolarHBondContact O-CG 3.33Å; I67-R71 PolarHBondContact O-N 3.07Å; I67-R71 VanDerWaalsContact O-N 3.1Å; Q68-R71 WeakPolarHBondContact O-CB 3.32Å; Q68-R71 PolarHBondContact O-N 2.89Å; Q68-R71 VanDerWaalsContact O-N 3.15Å; H69-R71 VanDerWaalsContact C-N 3.29Å; H69-R71 PolarHBondContact O-N 3.41Å; R71-V73 PolarHBondContact O-N 3.49Å; R71-Q74 WeakPolarHBondContact O-CA 3.37Å; R71-Q74 WeakPolarHBondContact O-CB 3.34Å; R71-Q74 PolarHBondContact O-N 2.82Å; R71-E75 WeakPolarHBondContact O-CG 3.45Å; R71-E75 PolarHBondContact O-N 2.66Å
72F92.2Very high91.2Very high6 Ų677 Ų773%0.02638%0.377CS..Hα-helixtrans-66.9-25.2177.8-64.3-43.3000114Y34 Q68 H69 E76 S77 Q80 Q81 I84Y34-F72 AromaticContact CD1-CZ 3.81Å; Y34-F72 HydrophobicContact CD1-CZ 3.81Å; Y34-F72 HydrophobicContact CD2-CE2 4.27Å; Y34-F72 AromaticContact CD2-CZ 3.88Å; Y34-F72 HydrophobicContact CD2-CZ 3.88Å; Y34-F72 HydrophobicContact CE1-CE1 4.01Å; Y34-F72 AromaticContact CE1-CZ 3.56Å; Y34-F72 HydrophobicContact CE1-CZ 3.56Å; Y34-F72 HydrophobicContact CE2-CE2 4.21Å; Y34-F72 AromaticContact CE2-CZ 3.64Å; Y34-F72 HydrophobicContact CE2-CZ 3.64Å; Y34-F72 AromaticContact CG-CZ 3.98Å; Y34-F72 HydrophobicContact CG-CZ 3.98Å; Y34-F72 AromaticContact CZ-CZ 3.46Å; Y34-F72 VanDerWaalsContact CZ-CZ 3.46Å; Q68-F72 HydrophobicContact CB-CE2 4.39Å; Q68-F72 WeakPolarHBondContact O-CD2 3.44Å; Q68-F72 PolarHBondContact O-N 2.87Å; H69-F72 PolarHBondContact O-N 3.03Å; F72-E76 PolarHBondContact O-N 2.91Å; F72-S77 PolarHBondContact O-N 3.15Å; F72-Q80 HydrophobicContact CB-CB 4.26Å; F72-Q80 HydrophobicContact CD1-CB 3.84Å; F72-Q80 HydrophobicContact CD1-CG 4.45Å; F72-Q80 HydrophobicContact CD2-CB 3.75Å; F72-Q80 HydrophobicContact CE1-CB 4.09Å; F72-Q80 HydrophobicContact CE1-CG 4.34Å; F72-Q80 HydrophobicContact CE2-CB 3.99Å; F72-Q80 HydrophobicContact CG-CB 3.69Å; F72-Q80 HydrophobicContact CZ-CB 4.17Å; F72-Q80 HydrophobicContact CZ-CG 4.5Å; F72-Q81 HydrophobicContact CB-CG 3.67Å; F72-Q81 PolarHBondContact O-NE2 2.91Å; F72-I84 HydrophobicContact CD2-CG1 3.72Å; F72-I84 HydrophobicContact CE2-CD1 4.04Å; F72-I84 HydrophobicContact CE2-CG1 3.47Å; F72-I84 VanDerWaalsContact CE2-CG1 3.47Å
73V90Very high91.1Very high73 Ų7377.2 Ų77.244%0.44238%0.378SS..Hα-helixtrans-66.5-42.3169172.90000110.8H69 S70 R71 E75 E76 Q81H69-V73 WeakPolarHBondContact O-CG2 3.33Å; H69-V73 PolarHBondContact O-N 3.33Å; S70-V73 PolarHBondContact O-N 3.47Å; R71-V73 PolarHBondContact O-N 3.49Å; V73-E75 VanDerWaalsContact C-N 3.33Å; V73-E76 PolarHBondContact O-N 3.38Å; V73-Q81 HydrophobicContact CG2-CG 4.13Å
74Q90.5Very high91Very high162 Ų16271.6 Ų71.676%0.75735%0.352SS*.Hα-helixtrans-66.9-33.9176-66.7173.13.100112.5S70 R71 E76S70-Q74 WeakPolarHBondContact O-CG 3.32Å; S70-Q74 PolarHBondContact O-N 3.22Å; R71-Q74 WeakPolarHBondContact O-CA 3.37Å; R71-Q74 WeakPolarHBondContact O-CB 3.34Å; R71-Q74 PolarHBondContact O-N 2.82Å; Q74-E76 VanDerWaalsContact C-N 3.29Å; Q74-E76 PolarHBondContact O-N 2.87Å
75E88.9Confident90.8Very high122 Ų12278 Ų7857%0.5737%0.374SS*.THydrogen-bonded Turntrans-85.26.7178.6-65.5173.2-176.300113.8R71 V73 S77R71-E75 WeakPolarHBondContact O-CG 3.45Å; R71-E75 PolarHBondContact O-N 2.66Å; V73-E75 VanDerWaalsContact C-N 3.33Å; E75-S77 PolarHBondContact O-N 2.99Å; E75-S77 PolarHBondContact O-OG 3.13Å
76E87.6Confident90.7Very high174 Ų17485.6 Ų85.681%0.81340%0.403SS*.THydrogen-bonded Turntrans51.522.7-177.6-60.7-171.6163.500114.9F72 V73 Q74 F78F72-E76 PolarHBondContact O-N 2.91Å; V73-E76 PolarHBondContact O-N 3.38Å; Q74-E76 VanDerWaalsContact C-N 3.29Å; Q74-E76 PolarHBondContact O-N 2.87Å; E76-F78 PolarHBondContact O-N 3.42Å
77S88.3Confident90.6Very high45 Ų4584.3 Ų84.332%0.31539%0.393SS..  trans-84.974.1-174.5-71.40000111.8F72 E75 L79 Q80 Q81F72-S77 PolarHBondContact O-N 3.15Å; E75-S77 PolarHBondContact O-N 2.99Å; E75-S77 PolarHBondContact O-OG 3.13Å; S77-L79 VanDerWaalsContact C-N 3.29Å; S77-L79 PolarHBondContact O-N 3.03Å; S77-L79 VanDerWaalsContact O-N 3.14Å; S77-Q80 PolarHBondContact O-N 3.28Å; S77-Q81 WeakPolarHBondContact O-CG 3.41Å; S77-Q81 PolarHBondContact O-N 3.24Å
78F90.4Very high90.4Very high158 Ų15883.4 Ų83.469%0.69339%0.387SS*.Hα-helixtrans-48.4-43.7-174.9178.3-99.6000114.4E76 Q81 H82E76-F78 PolarHBondContact O-N 3.42Å; F78-Q81 WeakPolarHBondContact O-CB 3.39Å; F78-Q81 PolarHBondContact O-N 3.23Å; F78-H82 PolarHBondContact O-N 3.24Å
79L90.4Very high90.4Very high119 Ų11987.7 Ų87.762%0.62341%0.407SS*.Hα-helixtrans-63.1-45.6179.9-178.563.2000112.1S77 H82 N83S77-L79 VanDerWaalsContact C-N 3.29Å; S77-L79 PolarHBondContact O-N 3.03Å; S77-L79 VanDerWaalsContact O-N 3.14Å; L79-H82 PolarHBondContact O-N 3.35Å; L79-N83 VanDerWaalsContact O-CG 3.29Å; L79-N83 PolarHBondContact O-N 3.24Å
80Q91.4Very high90.1Very high40 Ų4087.2 Ų87.219%0.18741%0.41CS..Hα-helixtrans-67.1-37.3179.2-69.6-67-1300111.4Y34 F72 S77 H82 N83 I84Y34-Q80 VanDerWaalsContact OH-CD 3.3Å; Y34-Q80 PolarHBondContact OH-NE2 3Å; Y34-Q80 PolarHBondContact OH-OE1 2.94Å; F72-Q80 HydrophobicContact CB-CB 4.26Å; F72-Q80 HydrophobicContact CD1-CB 3.84Å; F72-Q80 HydrophobicContact CD1-CG 4.45Å; F72-Q80 HydrophobicContact CD2-CB 3.75Å; F72-Q80 HydrophobicContact CE1-CB 4.09Å; F72-Q80 HydrophobicContact CE1-CG 4.34Å; F72-Q80 HydrophobicContact CE2-CB 3.99Å; F72-Q80 HydrophobicContact CG-CB 3.69Å; F72-Q80 HydrophobicContact CZ-CB 4.17Å; F72-Q80 HydrophobicContact CZ-CG 4.5Å; S77-Q80 PolarHBondContact O-N 3.28Å; Q80-H82 PolarHBondContact O-N 2.85Å; Q80-N83 PolarHBondContact O-N 2.66Å; Q80-I84 WeakPolarHBondContact O-CG1 3.4Å; Q80-I84 PolarHBondContact O-N 3.2Å
81Q88.8Confident90Very high41 Ų4184.3 Ų84.319%0.19239%0.389CS..Hα-helixtrans-58.3-48172.7-63.9168.227.900111.3F72 V73 S77 F78 R85F72-Q81 HydrophobicContact CB-CG 3.67Å; F72-Q81 PolarHBondContact O-NE2 2.91Å; V73-Q81 HydrophobicContact CG2-CG 4.13Å; S77-Q81 WeakPolarHBondContact O-CG 3.41Å; S77-Q81 PolarHBondContact O-N 3.24Å; F78-Q81 WeakPolarHBondContact O-CB 3.39Å; F78-Q81 PolarHBondContact O-N 3.23Å; Q81-R85 WeakPolarHBondContact O-CB 3.3Å; Q81-R85 PolarHBondContact O-N 3.2Å
82H89.5Confident89.7Confident106 Ų10683.2 Ų83.249%0.49139%0.389SS..Hα-helixtrans-61.4-46.4177.8-178.680.1000111.9F78 L79 Q80 R85 R86F78-H82 PolarHBondContact O-N 3.24Å; L79-H82 PolarHBondContact O-N 3.35Å; Q80-H82 PolarHBondContact O-N 2.85Å; H82-R85 PolarHBondContact O-N 3.46Å; H82-R86 PolarHBondContact O-N 3.26Å
83N91.3Very high89.4Confident30 Ų3089.2 Ų89.216%0.1641%0.412CS..Hα-helixtrans-62.8-49.8-178.2-72.5-11.7000112.2L79 Q80 R85 R86 Y87L79-N83 VanDerWaalsContact O-CG 3.29Å; L79-N83 PolarHBondContact O-N 3.24Å; Q80-N83 PolarHBondContact O-N 2.66Å; N83-R85 VanDerWaalsContact C-N 3.29Å; N83-R85 PolarHBondContact O-N 3.49Å; N83-R86 WeakPolarHBondContact O-CB 3.3Å; N83-R86 PolarHBondContact O-N 3.23Å; N83-R86 VanDerWaalsContact O-N 3.12Å; N83-Y87 HydrophobicContact CB-CD2 4.47Å; N83-Y87 HydrophobicContact CB-CE2 3.77Å; N83-Y87 WeakPolarHBondContact O-CD2 3.47Å; N83-Y87 PolarHBondContact O-N 3.43Å
84I91.9Very high89.3Confident2 Ų287 Ų871%0.0140%0.396CS..Hα-helixtrans-59.5-41.1178.3-69-62.5000111.7Y34 L65 H69 F72 Q80 R86 Y87 K88Y34-I84 HydrophobicContact CD2-CD1 4.45Å; L65-I84 HydrophobicContact CB-CG2 4.3Å; L65-I84 HydrophobicContact CD2-CD1 4.28Å; L65-I84 HydrophobicContact CD2-CG2 4.32Å; L65-I84 WeakPolarHBondContact O-CG2 3.35Å; H69-I84 HydrophobicContact CB-CG2 3.95Å; F72-I84 HydrophobicContact CD2-CG1 3.72Å; F72-I84 HydrophobicContact CE2-CD1 4.04Å; F72-I84 HydrophobicContact CE2-CG1 3.47Å; F72-I84 VanDerWaalsContact CE2-CG1 3.47Å; Q80-I84 WeakPolarHBondContact O-CG1 3.4Å; Q80-I84 PolarHBondContact O-N 3.2Å; I84-R86 VanDerWaalsContact C-N 3.33Å; I84-R86 PolarHBondContact O-N 3.3Å; I84-Y87 HydrophobicContact CD1-CD2 4.3Å; I84-Y87 PolarHBondContact O-N 3.1Å; I84-K88 PolarHBondContact O-N 3.39Å
85R89.3Confident89.1Confident162 Ų16284.5 Ų84.561%0.61138%0.384SS*.Hα-helixtrans-61.2-43176.7-173.2177.4-179.9-177.90.7111.6Q81 H82 N83 Q89Q81-R85 WeakPolarHBondContact O-CB 3.3Å; Q81-R85 PolarHBondContact O-N 3.2Å; H82-R85 PolarHBondContact O-N 3.46Å; N83-R85 VanDerWaalsContact C-N 3.29Å; N83-R85 PolarHBondContact O-N 3.49Å; R85-Q89 WeakPolarHBondContact O-CG 3.08Å; R85-Q89 PolarHBondContact O-N 3.04Å; R85-Q89 VanDerWaalsContact O-N 3.15Å
86R91.6Very high88.9Confident160 Ų16085.2 Ų85.260%0.60439%0.392SS*.Hα-helixtrans-64.1-42175.5-177.4-177.5174.2-168.8-3.1111.9H82 N83 I84 Q89 S90H82-R86 PolarHBondContact O-N 3.26Å; N83-R86 WeakPolarHBondContact O-CB 3.3Å; N83-R86 PolarHBondContact O-N 3.23Å; N83-R86 VanDerWaalsContact O-N 3.12Å; I84-R86 VanDerWaalsContact C-N 3.33Å; I84-R86 PolarHBondContact O-N 3.3Å; R86-Q89 WeakPolarHBondContact O-CB 3.34Å; R86-Q89 PolarHBondContact O-N 3.41Å; R86-S90 PolarHBondContact O-N 3.43Å
87Y90.9Very high89Confident41 Ų4183.4 Ų83.416%0.16138%0.383CS..Hα-helixtrans-65.5-42.2178.3-58.9-36.9000112.1P28 D30 V31 N83 I84 Q89 S90 F91P28-Y87 HydrophobicContact CB-CD1 3.66Å; P28-Y87 HydrophobicContact CB-CD2 4.24Å; P28-Y87 HydrophobicContact CB-CE1 3.68Å; P28-Y87 HydrophobicContact CB-CE2 4.25Å; P28-Y87 HydrophobicContact CB-CG 3.97Å; P28-Y87 HydrophobicContact CG-CD1 3.51Å; P28-Y87 HydrophobicContact CG-CE1 3.97Å; P28-Y87 HydrophobicContact CG-CG 3.9Å; D30-Y87 HydrophobicContact CB-CD2 4.32Å; D30-Y87 HydrophobicContact CB-CE2 3.54Å; D30-Y87 WeakPolarHBondContact OD2-CE2 3.43Å; D30-Y87 VanDerWaalsContact OD2-CZ 3.3Å; D30-Y87 PolarHBondContact OD2-OH 3.35Å; V31-Y87 HydrophobicContact CG2-CD2 3.71Å; V31-Y87 HydrophobicContact CG2-CG 3.9Å; N83-Y87 HydrophobicContact CB-CD2 4.47Å; N83-Y87 HydrophobicContact CB-CE2 3.77Å; N83-Y87 WeakPolarHBondContact O-CD2 3.47Å; N83-Y87 PolarHBondContact O-N 3.43Å; I84-Y87 HydrophobicContact CD1-CD2 4.3Å; I84-Y87 PolarHBondContact O-N 3.1Å; Y87-Q89 VanDerWaalsContact C-N 3.29Å; Y87-Q89 PolarHBondContact O-N 3.2Å; Y87-S90 WeakPolarHBondContact O-CB 3.29Å; Y87-S90 PolarHBondContact O-N 3.26Å; Y87-S90 VanDerWaalsContact O-N 3.09Å; Y87-F91 WeakPolarHBondContact O-CD2 3.45Å; Y87-F91 PolarHBondContact O-N 3.42Å
88K90.2Very high89Confident52 Ų5281.3 Ų81.323%0.22637%0.369CS..Hα-helixtrans-56.1-45.1173.2-171-176.6-180-177.70111.5L62 L65 D66 I84 F91 Q92L62-K88 HydrophobicContact CD2-CG 3.96Å; L65-K88 HydrophobicContact CD1-CB 4.11Å; L65-K88 HydrophobicContact CD1-CG 4.38Å; D66-K88 WeakPolarHBondContact OD1-CE 3.41Å; D66-K88 IonicContact OD1-NZ 3.79Å; D66-K88 PolarHBondContact OD1-NZ 3.19Å; D66-K88 IonicContact OD2-NZ 3.51Å; D66-K88 PolarHBondContact OD2-NZ 3.4Å; I84-K88 PolarHBondContact O-N 3.39Å; K88-F91 PolarHBondContact O-N 2.97Å; K88-Q92 PolarHBondContact O-N 2.95Å
89Q88.6Confident89Confident106 Ų10675.3 Ų75.350%0.49535%0.346SS..Hα-helixtrans-61.9-41.6175-71.9173.2-14.400112.2R85 R86 Y87 F91 Q92R85-Q89 WeakPolarHBondContact O-CG 3.08Å; R85-Q89 PolarHBondContact O-N 3.04Å; R85-Q89 VanDerWaalsContact O-N 3.15Å; R86-Q89 WeakPolarHBondContact O-CB 3.34Å; R86-Q89 PolarHBondContact O-N 3.41Å; Y87-Q89 VanDerWaalsContact C-N 3.29Å; Y87-Q89 PolarHBondContact O-N 3.2Å; Q89-F91 VanDerWaalsContact C-N 3.3Å; Q89-F91 PolarHBondContact O-N 2.73Å; Q89-Q92 WeakPolarHBondContact O-CB 3.4Å; Q89-Q92 PolarHBondContact O-N 3.29Å; Q89-Q92 VanDerWaalsContact O-N 3.12Å
90S87.3Confident88.9Confident46 Ų4671.3 Ų71.332%0.32233%0.33SS..Hα-helixtrans-58.9-40.8176-171.90000112R86 Y87 Q92 R93R86-S90 PolarHBondContact O-N 3.43Å; Y87-S90 WeakPolarHBondContact O-CB 3.29Å; Y87-S90 PolarHBondContact O-N 3.26Å; Y87-S90 VanDerWaalsContact O-N 3.09Å; S90-Q92 PolarHBondContact O-N 2.87Å; S90-R93 VanDerWaalsContact O-CD 3.29Å; S90-R93 WeakPolarHBondContact O-CD 3.3Å; S90-R93 WeakPolarHBondContact O-CG 3.34Å; S90-R93 PolarHBondContact O-N 3.3Å
91F89.2Confident88.9Confident1 Ų169.6 Ų69.60%0.00432%0.322CS..Hα-helixtrans-70-16.4178.2-69.3-60.8000114.3L27 P28 V31 Y58 L61 L62 L65 Y87 K88 Q89 R93 Y94 L101L27-F91 HydrophobicContact CD1-CE1 4.47Å; L27-F91 HydrophobicContact CD1-CZ 4.03Å; P28-F91 HydrophobicContact CG-CZ 4.42Å; V31-F91 HydrophobicContact CB-CE2 4.44Å; V31-F91 HydrophobicContact CG1-CE2 4Å; V31-F91 HydrophobicContact CG1-CZ 4.13Å; V31-F91 HydrophobicContact CG2-CE2 3.95Å; V31-F91 HydrophobicContact CG2-CZ 4.42Å; Y58-F91 WeakPolarHBondContact CE2-O 2.99Å; Y58-F91 PolarHBondContact OH-O 3.25Å; L61-F91 HydrophobicContact CD2-CD1 4.45Å; L61-F91 HydrophobicContact CD2-CE1 4.48Å; L61-F91 HydrophobicContact CD2-CG 4.47Å; L62-F91 HydrophobicContact CD2-CB 4.11Å; L65-F91 HydrophobicContact CD1-CD2 3.76Å; L65-F91 HydrophobicContact CD1-CE2 4.04Å; Y87-F91 WeakPolarHBondContact O-CD2 3.45Å; Y87-F91 PolarHBondContact O-N 3.42Å; K88-F91 PolarHBondContact O-N 2.97Å; Q89-F91 VanDerWaalsContact C-N 3.3Å; Q89-F91 PolarHBondContact O-N 2.73Å; F91-R93 PolarHBondContact O-N 3.48Å; F91-R93 VanDerWaalsContact O-N 3.16Å; F91-Y94 HydrophobicContact CD1-CD2 4.12Å; F91-Y94 HydrophobicContact CD1-CE2 4.22Å; F91-Y94 PolarHBondContact O-N 2.9Å; F91-L101 HydrophobicContact CD1-CD1 3.85Å; F91-L101 HydrophobicContact CD1-CD2 4.35Å; F91-L101 HydrophobicContact CE1-CD1 3.82Å
92Q86.5Confident89.1Confident101 Ų10167.7 Ų67.747%0.47231%0.314SS..G310 helixtrans-60.8-24.2176-68.5176.9-30.600112.5K88 Q89 S90 Y94 Q95K88-Q92 PolarHBondContact O-N 2.95Å; Q89-Q92 WeakPolarHBondContact O-CB 3.4Å; Q89-Q92 PolarHBondContact O-N 3.29Å; Q89-Q92 VanDerWaalsContact O-N 3.12Å; S90-Q92 PolarHBondContact O-N 2.87Å; Q92-Y94 PolarHBondContact O-N 2.95Å; Q92-Y94 VanDerWaalsContact O-N 3.17Å; Q92-Q95 VanDerWaalsContact O-CB 3.24Å; Q92-Q95 WeakPolarHBondContact O-CB 3.35Å; Q92-Q95 PolarHBondContact O-N 2.76Å; Q92-Q95 VanDerWaalsContact O-N 3.11Å
93R85.6Confident89.1Confident133 Ų13365.2 Ų65.250%0.50231%0.308SS..G310 helixtrans-61.4-21.5174.478.8-166.1179.8176-1.2114.3S90 F91 Q95S90-R93 VanDerWaalsContact O-CD 3.29Å; S90-R93 WeakPolarHBondContact O-CD 3.3Å; S90-R93 WeakPolarHBondContact O-CG 3.34Å; S90-R93 PolarHBondContact O-N 3.3Å; F91-R93 PolarHBondContact O-N 3.48Å; F91-R93 VanDerWaalsContact O-N 3.16Å; R93-Q95 VanDerWaalsContact C-N 3.34Å
94Y86.8Confident89Confident27 Ų2765.5 Ų65.511%0.10631%0.311CS..G310 helixtrans-92.47.5179.1-63-77.9000113.3F91 Q92 D96 E97 P98 A100 L101F91-Y94 HydrophobicContact CD1-CD2 4.12Å; F91-Y94 HydrophobicContact CD1-CE2 4.22Å; F91-Y94 PolarHBondContact O-N 2.9Å; Q92-Y94 PolarHBondContact O-N 2.95Å; Q92-Y94 VanDerWaalsContact O-N 3.17Å; Y94-D96 PolarHBondContact O-N 3.28Å; Y94-E97 CarbonylContact O-C 3.56Å; Y94-E97 VanDerWaalsContact O-C 3.25Å; Y94-E97 PolarHBondContact O-N 2.94Å; Y94-P98 VanDerWaalsContact O-N 3.14Å; Y94-A100 HydrophobicContact CD1-CB 4.45Å; Y94-L101 HydrophobicContact CD1-CB 3.76Å; Y94-L101 HydrophobicContact CD2-CB 4.25Å; Y94-L101 HydrophobicContact CD2-CD1 3.89Å; Y94-L101 HydrophobicContact CD2-CD2 4.41Å; Y94-L101 HydrophobicContact CD2-CG 4.41Å; Y94-L101 HydrophobicContact CE1-CB 4.29Å; Y94-L101 HydrophobicContact CE2-CD1 3.91Å; Y94-L101 HydrophobicContact CG-CB 3.73Å; Y94-L101 HydrophobicContact CG-CD1 4.26Å; Y94-L101 HydrophobicContact CG-CD2 4.41Å; Y94-L101 HydrophobicContact CG-CG 4.35Å
95Q87.6Confident89.1Confident109 Ų10965.4 Ų65.451%0.50931%0.311SS..SBendtrans-58.6-38.8178.9-178.2173.7-1100111.9Y58 Q92 R93Y58-Q95 HydrophobicContact CE1-CB 4.49Å; Q92-Q95 VanDerWaalsContact O-CB 3.24Å; Q92-Q95 WeakPolarHBondContact O-CB 3.35Å; Q92-Q95 PolarHBondContact O-N 2.76Å; Q92-Q95 VanDerWaalsContact O-N 3.11Å; R93-Q95 VanDerWaalsContact C-N 3.34Å
96D84.6Confident89.2Confident137 Ų13759.2 Ų59.273%0.73329%0.289SS*.SBendtrans-85.8-22.1179.7-60.2-40.8000112.6Y94Y94-D96 PolarHBondContact O-N 3.28Å
97E88.6Confident89.2Confident135 Ų13555.9 Ų55.963%0.63128%0.276SS*.  trans-130.964-178.3-64.3-171.3166.900113.3Y94 C99 A100Y94-E97 CarbonylContact O-C 3.56Å; Y94-E97 VanDerWaalsContact O-C 3.25Å; Y94-E97 PolarHBondContact O-N 2.94Å; E97-C99 VanDerWaalsContact C-N 3.27Å; E97-C99 PolarHBondContact O-N 3.49Å; E97-A100 HydrophobicContact CB-CB 4.11Å; E97-A100 WeakPolarHBondContact O-CB 3.2Å; E97-A100 PolarHBondContact O-N 3.16Å; E97-A100 VanDerWaalsContact O-N 3.13Å
98P89.4Confident89.3Confident2 Ų254.1 Ų54.11%0.01327%0.269CS..Hα-helixtrans-65.7-27.7-178.126.3-35.2000113.2Y51 A54 M55 Y94 A100 L101 A102Y51-P98 HydrophobicContact CD2-CG 3.89Å; Y51-P98 HydrophobicContact CE2-CG 3.55Å; A54-P98 HydrophobicContact CB-CB 3.85Å; A54-P98 HydrophobicContact CB-CG 4.16Å; M55-P98 HydrophobicContact CB-CG 4.39Å; M55-P98 HydrophobicContact SD-CB 4.41Å; M55-P98 HydrophobicContact SD-CG 4.18Å; Y94-P98 VanDerWaalsContact O-N 3.14Å; P98-A100 VanDerWaalsContact C-N 3.29Å; P98-A100 PolarHBondContact O-N 3.4Å; P98-L101 WeakPolarHBondContact O-CB 3.38Å; P98-L101 PolarHBondContact O-N 2.87Å; P98-A102 PolarHBondContact O-N 2.92Å
99C89.8Confident89.4Confident31 Ų3152.2 Ų52.221%0.20926%0.261CS..Hα-helixtrans-64.5-33.3174.9-60.90000112.4Y51 E97 A102 S103Y51-C99 VanDerWaalsContact CA-SG 3.6Å; E97-C99 VanDerWaalsContact C-N 3.27Å; E97-C99 PolarHBondContact O-N 3.49Å; C99-A102 PolarHBondContact O-N 3.04Å; C99-S103 WeakPolarHBondContact O-CB 3.18Å; C99-S103 PolarHBondContact O-N 3.07Å; C99-S103 PolarHBondContact O-OG 3.35Å
100A88.8Confident89.5Confident35 Ų3551.2 Ų51.229%0.28926%0.257SS..Hα-helixtrans-67.4-38.2175.800000111.2Y94 E97 P98 S103 T104Y94-A100 HydrophobicContact CD1-CB 4.45Å; E97-A100 HydrophobicContact CB-CB 4.11Å; E97-A100 WeakPolarHBondContact O-CB 3.2Å; E97-A100 PolarHBondContact O-N 3.16Å; E97-A100 VanDerWaalsContact O-N 3.13Å; P98-A100 VanDerWaalsContact C-N 3.29Å; P98-A100 PolarHBondContact O-N 3.4Å; A100-S103 PolarHBondContact O-N 3.13Å; A100-T104 WeakPolarHBondContact O-CB 3.19Å; A100-T104 PolarHBondContact O-N 2.85Å; A100-T104 PolarHBondContact O-OG1 3.46Å
101L91Very high89.6Confident4 Ų451.9 Ų51.92%0.02125%0.254CS..Hα-helixtrans-63.7-47.2172.517961.4000111.6Y58 L61 F91 Y94 P98 S103 T104 I105Y58-L101 HydrophobicContact CD2-CD2 3.77Å; Y58-L101 HydrophobicContact CE2-CD2 4.47Å; L61-L101 HydrophobicContact CD2-CD2 4.03Å; F91-L101 HydrophobicContact CD1-CD1 3.85Å; F91-L101 HydrophobicContact CD1-CD2 4.35Å; F91-L101 HydrophobicContact CE1-CD1 3.82Å; Y94-L101 HydrophobicContact CD1-CB 3.76Å; Y94-L101 HydrophobicContact CD2-CB 4.25Å; Y94-L101 HydrophobicContact CD2-CD1 3.89Å; Y94-L101 HydrophobicContact CD2-CD2 4.41Å; Y94-L101 HydrophobicContact CD2-CG 4.41Å; Y94-L101 HydrophobicContact CE1-CB 4.29Å; Y94-L101 HydrophobicContact CE2-CD1 3.91Å; Y94-L101 HydrophobicContact CG-CB 3.73Å; Y94-L101 HydrophobicContact CG-CD1 4.26Å; Y94-L101 HydrophobicContact CG-CD2 4.41Å; Y94-L101 HydrophobicContact CG-CG 4.35Å; P98-L101 WeakPolarHBondContact O-CB 3.38Å; P98-L101 PolarHBondContact O-N 2.87Å; L101-S103 VanDerWaalsContact C-N 3.29Å; L101-S103 PolarHBondContact O-N 3.26Å; L101-T104 WeakPolarHBondContact O-CB 3.45Å; L101-T104 PolarHBondContact O-N 3.21Å; L101-T104 VanDerWaalsContact O-N 3.14Å; L101-I105 HydrophobicContact CD1-CD1 3.97Å; L101-I105 HydrophobicContact CD1-CG1 4.19Å; L101-I105 HydrophobicContact CG-CD1 3.95Å; L101-I105 WeakPolarHBondContact O-CG1 3.39Å; L101-I105 PolarHBondContact O-N 3.37Å
102A92.4Very high89.7Confident2 Ų251.8 Ų51.82%0.01725%0.254CS..Hα-helixtrans-59-42.3177.200000111.8W44 A47 A48 P98 C99 T104 I105 Q106W44-A102 HydrophobicContact CE3-CB 4.04Å; A47-A102 HydrophobicContact CB-CB 3.78Å; A48-A102 HydrophobicContact CB-CB 4.49Å; P98-A102 PolarHBondContact O-N 2.92Å; C99-A102 PolarHBondContact O-N 3.04Å; A102-T104 VanDerWaalsContact C-N 3.34Å; A102-T104 PolarHBondContact O-N 3.34Å; A102-I105 PolarHBondContact O-N 3.32Å; A102-Q106 WeakPolarHBondContact O-CB 3.24Å; A102-Q106 PolarHBondContact O-N 2.95Å
103S90.3Very high89.9Confident54 Ų5451.9 Ų51.938%0.37825%0.252SS..Hα-helixtrans-63.5-40.1175.7-55.60000111.8A48 C99 A100 L101 W107A48-S103 WeakPolarHBondContact CB-OG 3.48Å; C99-S103 WeakPolarHBondContact O-CB 3.18Å; C99-S103 PolarHBondContact O-N 3.07Å; C99-S103 PolarHBondContact O-OG 3.35Å; A100-S103 PolarHBondContact O-N 3.13Å; L101-S103 VanDerWaalsContact C-N 3.29Å; L101-S103 PolarHBondContact O-N 3.26Å; S103-W107 WeakPolarHBondContact O-CB 3.37Å; S103-W107 PolarHBondContact O-N 2.98Å
104T90Very high90Very high35 Ų3550.3 Ų50.322%0.21525%0.251CS..Hα-helixtrans-62.6-51.9176.1-57.40000110.6A100 L101 A102 Q106 W107 F108A100-T104 WeakPolarHBondContact O-CB 3.19Å; A100-T104 PolarHBondContact O-N 2.85Å; A100-T104 PolarHBondContact O-OG1 3.46Å; L101-T104 WeakPolarHBondContact O-CB 3.45Å; L101-T104 PolarHBondContact O-N 3.21Å; L101-T104 VanDerWaalsContact O-N 3.14Å; A102-T104 VanDerWaalsContact C-N 3.34Å; A102-T104 PolarHBondContact O-N 3.34Å; T104-Q106 VanDerWaalsContact C-N 3.34Å; T104-Q106 PolarHBondContact O-N 3.33Å; T104-W107 WeakPolarHBondContact O-CB 3.08Å; T104-W107 PolarHBondContact O-N 2.99Å; T104-F108 HydrophobicContact CG2-CD2 3.89Å; T104-F108 HydrophobicContact CG2-CE2 3.72Å; T104-F108 VanDerWaalsContact O-CD2 3.28Å; T104-F108 WeakPolarHBondContact O-CD2 3.31Å; T104-F108 PolarHBondContact O-N 3.06Å
105I92.4Very high90Very high1 Ų149.8 Ų49.81%0.00525%0.249CC..Hα-helixtrans-61.7-43.1-179.5-64.7170.3000110.9L27 I39 W44 L101 A102 W107 F108 L109L27-I105 HydrophobicContact CD1-CG1 4.36Å; L27-I105 HydrophobicContact CD2-CG1 4.49Å; I39-I105 HydrophobicContact CG2-CG2 3.76Å; W44-I105 HydrophobicContact CD2-CB 4.13Å; W44-I105 HydrophobicContact CD2-CG2 3.74Å; W44-I105 HydrophobicContact CE3-CB 4.3Å; W44-I105 HydrophobicContact CE3-CD1 4.19Å; W44-I105 HydrophobicContact CE3-CG2 4.35Å; W44-I105 HydrophobicContact CG-CG2 4.02Å; W44-I105 HydrophobicContact CH2-CD1 3.59Å; W44-I105 HydrophobicContact CZ2-CD1 3.99Å; W44-I105 HydrophobicContact CZ2-CG2 3.98Å; W44-I105 HydrophobicContact CZ3-CD1 3.7Å; L101-I105 HydrophobicContact CD1-CD1 3.97Å; L101-I105 HydrophobicContact CD1-CG1 4.19Å; L101-I105 HydrophobicContact CG-CD1 3.95Å; L101-I105 WeakPolarHBondContact O-CG1 3.39Å; L101-I105 PolarHBondContact O-N 3.37Å; A102-I105 PolarHBondContact O-N 3.32Å; I105-W107 VanDerWaalsContact C-N 3.33Å; I105-W107 PolarHBondContact O-N 2.9Å; I105-F108 PolarHBondContact O-N 2.89Å; I105-L109 HydrophobicContact CG2-CD1 4.24Å; I105-L109 HydrophobicContact CG2-CG 4.49Å; I105-L109 WeakPolarHBondContact O-CG 3.47Å; I105-L109 PolarHBondContact O-N 3.4Å
106Q92.9Very high90.1Very high32 Ų3245.4 Ų45.415%0.1523%0.229CC..Hα-helixtrans-57.3-46.8174.917963.915.500111.4W44 A102 T104 F108 L109 E110W44-Q106 HydrophobicContact CB-CB 3.91Å; A102-Q106 WeakPolarHBondContact O-CB 3.24Å; A102-Q106 PolarHBondContact O-N 2.95Å; T104-Q106 VanDerWaalsContact C-N 3.34Å; T104-Q106 PolarHBondContact O-N 3.33Å; Q106-F108 PolarHBondContact O-N 3.07Å; Q106-L109 PolarHBondContact O-N 2.96Å; Q106-E110 PolarHBondContact NE2-OE1 3.35Å; Q106-E110 WeakPolarHBondContact O-CG 3.33Å; Q106-E110 PolarHBondContact O-N 3.38Å
107W91.3Very high90.2Very high89 Ų8943.5 Ų43.534%0.33722%0.219SC..Hα-helixtrans-59.9-42.8178.4179.888.4000112.4L21 S103 T104 I105 L109 E110 K111L21-W107 HydrophobicContact CD1-CH2 3.67Å; L21-W107 HydrophobicContact CD1-CZ3 3.57Å; S103-W107 WeakPolarHBondContact O-CB 3.37Å; S103-W107 PolarHBondContact O-N 2.98Å; T104-W107 WeakPolarHBondContact O-CB 3.08Å; T104-W107 PolarHBondContact O-N 2.99Å; I105-W107 VanDerWaalsContact C-N 3.33Å; I105-W107 PolarHBondContact O-N 2.9Å; W107-L109 PolarHBondContact O-N 3.3Å; W107-E110 PolarHBondContact O-N 2.8Å; W107-K111 HydrophobicContact CD2-CG 4.05Å; W107-K111 HydrophobicContact CE3-CG 4.34Å; W107-K111 HydrophobicContact CH2-CG 4.08Å; W107-K111 HydrophobicContact CZ2-CD 4.18Å; W107-K111 HydrophobicContact CZ2-CG 3.78Å; W107-K111 HydrophobicContact CZ3-CG 4.35Å; W107-K111 WeakPolarHBondContact O-CG 3.24Å; W107-K111 PolarHBondContact O-N 3.16Å
108F92.6Very high90Very high4 Ų439 Ų392%0.01820%0.202CC..Hα-helixtrans-60.7-44.6174.6-86.9-85.3000111.7L21 Y22 R24 L27 T104 I105 Q106 E110 K111 E112L21-F108 HydrophobicContact CD1-CD1 4.09Å; L21-F108 HydrophobicContact CD1-CE1 4.19Å; L21-F108 HydrophobicContact CD2-CD1 4.23Å; L21-F108 HydrophobicContact CG-CD1 3.85Å; L21-F108 HydrophobicContact CG-CE1 3.99Å; L21-F108 VanDerWaalsContact O-CE1 3.32Å; L21-F108 WeakPolarHBondContact O-CE1 3.46Å; Y22-F108 HydrophobicContact CD1-CD1 4.32Å; Y22-F108 HydrophobicContact CD1-CE1 4.08Å; Y22-F108 AromaticContact CE1-CD1 3.84Å; Y22-F108 HydrophobicContact CE1-CD1 3.84Å; Y22-F108 HydrophobicContact CE1-CE1 4.05Å; Y22-F108 AromaticContact CZ-CD1 3.93Å; R24-F108 HydrophobicContact CB-CZ 4.39Å; L27-F108 HydrophobicContact CB-CD2 3.78Å; L27-F108 HydrophobicContact CB-CE2 3.81Å; L27-F108 HydrophobicContact CB-CG 4.18Å; L27-F108 HydrophobicContact CB-CZ 4.19Å; L27-F108 HydrophobicContact CD2-CB 4.15Å; L27-F108 HydrophobicContact CD2-CD2 4.45Å; L27-F108 HydrophobicContact CD2-CG 4.24Å; T104-F108 HydrophobicContact CG2-CD2 3.89Å; T104-F108 HydrophobicContact CG2-CE2 3.72Å; T104-F108 VanDerWaalsContact O-CD2 3.28Å; T104-F108 WeakPolarHBondContact O-CD2 3.31Å; T104-F108 PolarHBondContact O-N 3.06Å; I105-F108 PolarHBondContact O-N 2.89Å; Q106-F108 PolarHBondContact O-N 3.07Å; F108-E110 VanDerWaalsContact C-N 3.34Å; F108-E110 PolarHBondContact O-N 2.81Å; F108-K111 PolarHBondContact O-N 3.25Å; F108-E112 WeakPolarHBondContact O-CB 3.42Å; F108-E112 WeakPolarHBondContact O-CG 3.21Å; F108-E112 PolarHBondContact O-N 2.77Å
109L92.3Very high89.7Confident12 Ų1239.2 Ų39.26%0.06321%0.205CC..Hα-helixtrans-66.1-34.7178.5-67.9176.5000112.8Q3 I39 E40 I105 Q106 W107 K113Q3-L109 PolarHBondContact NE2-O 3.38Å; I39-L109 HydrophobicContact CG2-CD1 4.18Å; I39-L109 HydrophobicContact CG2-CD2 4.32Å; E40-L109 HydrophobicContact CG-CD2 4.33Å; I105-L109 HydrophobicContact CG2-CD1 4.24Å; I105-L109 HydrophobicContact CG2-CG 4.49Å; I105-L109 WeakPolarHBondContact O-CG 3.47Å; I105-L109 PolarHBondContact O-N 3.4Å; Q106-L109 PolarHBondContact O-N 2.96Å; W107-L109 PolarHBondContact O-N 3.3Å; L109-K113 WeakPolarHBondContact O-CG 3.4Å; L109-K113 PolarHBondContact O-N 3.17Å; L109-K113 VanDerWaalsContact O-N 3.17Å
110E91Very high89.4Confident85 Ų8542.1 Ų42.140%0.39722%0.215SC..Hα-helixtrans-68.2-44.7174.3-75.7174.8-175.700111.5Q106 W107 F108 E112 K113 E114Q106-E110 PolarHBondContact NE2-OE1 3.35Å; Q106-E110 WeakPolarHBondContact O-CG 3.33Å; Q106-E110 PolarHBondContact O-N 3.38Å; W107-E110 PolarHBondContact O-N 2.8Å; F108-E110 VanDerWaalsContact C-N 3.34Å; F108-E110 PolarHBondContact O-N 2.81Å; E110-E112 VanDerWaalsContact C-N 3.33Å; E110-E112 PolarHBondContact O-N 2.93Å; E110-K113 WeakPolarHBondContact O-CB 3.26Å; E110-K113 PolarHBondContact O-N 3.47Å; E110-E114 PolarHBondContact O-N 2.89Å
111K88.7Confident89Confident60 Ų6045.5 Ų45.526%0.26123%0.228SC..Hα-helixtrans-63.6-39176.8-71.2-69.6164.4-143.10112.7L21 W107 F108 K113 E114 I115L21-K111 HydrophobicContact CD1-CB 3.72Å; L21-K111 HydrophobicContact CD1-CG 4.13Å; L21-K111 HydrophobicContact CD2-CB 3.92Å; W107-K111 HydrophobicContact CD2-CG 4.05Å; W107-K111 HydrophobicContact CE3-CG 4.34Å; W107-K111 HydrophobicContact CH2-CG 4.08Å; W107-K111 HydrophobicContact CZ2-CD 4.18Å; W107-K111 HydrophobicContact CZ2-CG 3.78Å; W107-K111 HydrophobicContact CZ3-CG 4.35Å; W107-K111 WeakPolarHBondContact O-CG 3.24Å; W107-K111 PolarHBondContact O-N 3.16Å; F108-K111 PolarHBondContact O-N 3.25Å; K111-K113 VanDerWaalsContact C-N 3.31Å; K111-K113 PolarHBondContact O-N 3.33Å; K111-E114 WeakPolarHBondContact CD-OE2 3.49Å; K111-E114 IonicContact NZ-OE1 2.79Å; K111-E114 PolarHBondContact NZ-OE1 2.87Å; K111-E114 IonicContact NZ-OE2 3.95Å; K111-E114 PolarHBondContact NZ-OE2 3.3Å; K111-E114 WeakPolarHBondContact O-CB 3.4Å; K111-E114 PolarHBondContact O-N 2.84Å; K111-I115 WeakPolarHBondContact O-CG1 3.44Å; K111-I115 PolarHBondContact O-N 3.01Å
112E91.5Very high88.2Confident0 Ų047.7 Ų47.70%024%0.243CC..Hα-helixtrans-59.3-39.7170.5-81.6-176.5179.700113.1Q3 W4 L7 L18 L21 Y22 R32 F108 E110 I115 L116Q3-E112 PolarHBondContact NE2-OE2 3.34Å; W4-E112 WeakPolarHBondContact CZ3-OE1 3.45Å; L7-E112 HydrophobicContact CD1-CB 3.82Å; L7-E112 VanDerWaalsContact CD1-CD 3.47Å; L7-E112 HydrophobicContact CD1-CG 3.55Å; L18-E112 HydrophobicContact CD1-CG 4.29Å; L21-E112 HydrophobicContact CD2-CG 4.03Å; Y22-E112 PolarHBondContact OH-OE1 2.99Å; R32-E112 IonicContact CZ-OE1 3.52Å; R32-E112 IonicContact CZ-OE2 3.91Å; R32-E112 IonicContact NE-OE1 3.81Å; R32-E112 PolarHBondContact NE-OE1 3.4Å; R32-E112 IonicContact NE-OE2 2.79Å; R32-E112 PolarHBondContact NE-OE2 2.91Å; R32-E112 IonicContact NH2-OE1 2.62Å; R32-E112 IonicContact NH2-OE2 3.14Å; R32-E112 PolarHBondContact NH2-OE2 3.24Å; F108-E112 WeakPolarHBondContact O-CB 3.42Å; F108-E112 WeakPolarHBondContact O-CG 3.21Å; F108-E112 PolarHBondContact O-N 2.77Å; E110-E112 VanDerWaalsContact C-N 3.33Å; E110-E112 PolarHBondContact O-N 2.93Å; E112-I115 PolarHBondContact O-N 3.33Å; E112-L116 WeakPolarHBondContact O-CG 3.4Å; E112-L116 PolarHBondContact O-N 2.88Å
113K90.1Very high87.2Confident103 Ų10353.5 Ų53.545%0.44827%0.27SS..Hα-helixtrans-67.4-38.1174.8-72.3174.6-174.1173.80111.9L109 E110 K111 I115 L116 N117L109-K113 WeakPolarHBondContact O-CG 3.4Å; L109-K113 PolarHBondContact O-N 3.17Å; L109-K113 VanDerWaalsContact O-N 3.17Å; E110-K113 WeakPolarHBondContact O-CB 3.26Å; E110-K113 PolarHBondContact O-N 3.47Å; K111-K113 VanDerWaalsContact C-N 3.31Å; K111-K113 PolarHBondContact O-N 3.33Å; K113-I115 VanDerWaalsContact C-N 3.32Å; K113-I115 PolarHBondContact O-N 3.15Å; K113-L116 PolarHBondContact O-N 2.92Å; K113-N117 WeakPolarHBondContact O-CB 3.22Å; K113-N117 PolarHBondContact O-N 2.79Å; K113-N117 PolarHBondContact O-ND2 2.95Å; K113-N117 PolarHBondContact O-OD1 2.84Å
114E88.2Confident86.1Confident100 Ų10056.8 Ų56.847%0.46728%0.28SS..Hα-helixtrans-59.4-43.6173.1-70.2174.9-16100111.3E110 K111 N117 S118E110-E114 PolarHBondContact O-N 2.89Å; K111-E114 WeakPolarHBondContact CD-OE2 3.49Å; K111-E114 IonicContact NZ-OE1 2.79Å; K111-E114 PolarHBondContact NZ-OE1 2.87Å; K111-E114 IonicContact NZ-OE2 3.95Å; K111-E114 PolarHBondContact NZ-OE2 3.3Å; K111-E114 WeakPolarHBondContact O-CB 3.4Å; K111-E114 PolarHBondContact O-N 2.84Å; E114-N117 PolarHBondContact O-N 2.87Å; E114-S118 WeakPolarHBondContact O-CB 3.32Å; E114-S118 PolarHBondContact O-N 3.39Å
115I87.5Confident84.7Confident15 Ų1558.5 Ų58.58%0.07729%0.29CS..Hα-helixtrans-60.6-48.3175.6-66.1168.9000110.2L7 L10 Y14 Q17 L18 L21 K111 E112 K113 N117 S118 A119L7-I115 HydrophobicContact CD2-CB 4.42Å; L7-I115 HydrophobicContact CD2-CG2 4.11Å; L10-I115 HydrophobicContact CD1-CG2 4Å; Y14-I115 HydrophobicContact CD1-CG2 4.03Å; Q17-I115 HydrophobicContact CB-CD1 4.31Å; L18-I115 HydrophobicContact CD1-CD1 4.37Å; L21-I115 HydrophobicContact CD2-CD1 4.2Å; K111-I115 WeakPolarHBondContact O-CG1 3.44Å; K111-I115 PolarHBondContact O-N 3.01Å; E112-I115 PolarHBondContact O-N 3.33Å; K113-I115 VanDerWaalsContact C-N 3.32Å; K113-I115 PolarHBondContact O-N 3.15Å; I115-N117 PolarHBondContact O-N 3.22Å; I115-S118 PolarHBondContact O-N 3.35Å; I115-S118 PolarHBondContact O-OG 3.47Å; I115-A119 PolarHBondContact O-N 3.14Å
116L88.6Confident82.8Confident17 Ų1763.5 Ų63.59%0.08931%0.313CS..Hα-helixtrans-60-47.2177.8-74.5169.3000112.3Q3 R6 L7 L10 E112 K113 S118 A119 E120Q3-L116 HydrophobicContact CG-CD1 3.78Å; R6-L116 HydrophobicContact CB-CD1 4.46Å; R6-L116 HydrophobicContact CB-CD2 3.88Å; L7-L116 HydrophobicContact CD2-CD1 4.3Å; L7-L116 HydrophobicContact CD2-CD2 3.86Å; L7-L116 HydrophobicContact CD2-CG 3.68Å; L7-L116 HydrophobicContact CG-CD1 4.22Å; L7-L116 HydrophobicContact CG-CD2 4.09Å; L7-L116 HydrophobicContact CG-CG 4.08Å; L10-L116 HydrophobicContact CD1-CD2 4.05Å; L10-L116 HydrophobicContact CD2-CD2 4.27Å; L10-L116 HydrophobicContact CG-CD2 4.37Å; E112-L116 WeakPolarHBondContact O-CG 3.4Å; E112-L116 PolarHBondContact O-N 2.88Å; K113-L116 PolarHBondContact O-N 2.92Å; L116-S118 VanDerWaalsContact C-N 3.25Å; L116-S118 PolarHBondContact O-N 3.26Å; L116-A119 WeakPolarHBondContact O-CB 3.32Å; L116-A119 PolarHBondContact O-N 3.04Å; L116-A119 VanDerWaalsContact O-N 3.09Å; L116-E120 WeakPolarHBondContact O-CG 3.49Å; L116-E120 PolarHBondContact O-N 2.84Å
117N87.5Confident81Confident98 Ų9868.6 Ų68.652%0.52434%0.341SS..Hα-helixtrans-61.4-37.2177.9-68-17.1000111.5K113 E114 I115 A119 L121K113-N117 WeakPolarHBondContact O-CB 3.22Å; K113-N117 PolarHBondContact O-N 2.79Å; K113-N117 PolarHBondContact O-ND2 2.95Å; K113-N117 PolarHBondContact O-OD1 2.84Å; E114-N117 PolarHBondContact O-N 2.87Å; I115-N117 PolarHBondContact O-N 3.22Å; N117-A119 VanDerWaalsContact C-N 3.34Å; N117-L121 WeakPolarHBondContact O-CB 3.4Å; N117-L121 PolarHBondContact O-N 3.06Å
118S84.1Confident79.1Confident39 Ų3971.5 Ų71.527%0.27336%0.362SS..Hα-helixtrans-66.8-36.8175.779.70000112Y14 E114 I115 L116 S122Y14-S118 WeakPolarHBondContact CE1-OG 3.23Å; E114-S118 WeakPolarHBondContact O-CB 3.32Å; E114-S118 PolarHBondContact O-N 3.39Å; I115-S118 PolarHBondContact O-N 3.35Å; I115-S118 PolarHBondContact O-OG 3.47Å; L116-S118 VanDerWaalsContact C-N 3.25Å; L116-S118 PolarHBondContact O-N 3.26Å; S118-S122 WeakPolarHBondContact O-CB 3.28Å; S118-S122 PolarHBondContact O-N 3.28Å; S118-S122 PolarHBondContact O-OG 3.44Å; S118-S122 VanDerWaalsContact O-OG 3.13Å
119A83.8Confident76.9Confident8 Ų878.7 Ų78.77%0.06640%0.396CS..Hα-helixtrans-68.6-44.617600000112.1L10 Y14 I115 L116 N117 L121 S122 E123L10-A119 HydrophobicContact CD1-CB 4.21Å; L10-A119 HydrophobicContact CD2-CB 3.62Å; Y14-A119 HydrophobicContact CD1-CB 4.11Å; Y14-A119 HydrophobicContact CD2-CB 4.05Å; Y14-A119 HydrophobicContact CE1-CB 3.84Å; Y14-A119 HydrophobicContact CE2-CB 3.78Å; Y14-A119 HydrophobicContact CG-CB 4.22Å; Y14-A119 VanDerWaalsContact CZ-CA 3.47Å; Y14-A119 WeakPolarHBondContact OH-CA 3.43Å; I115-A119 PolarHBondContact O-N 3.14Å; L116-A119 WeakPolarHBondContact O-CB 3.32Å; L116-A119 PolarHBondContact O-N 3.04Å; L116-A119 VanDerWaalsContact O-N 3.09Å; N117-A119 VanDerWaalsContact C-N 3.34Å; A119-L121 VanDerWaalsContact C-N 3.31Å; A119-L121 PolarHBondContact O-N 3.44Å; A119-S122 PolarHBondContact O-N 3.39Å; A119-E123 WeakPolarHBondContact O-CB 3.38Å; A119-E123 PolarHBondContact O-N 2.99Å
120E83.2Confident74.5Confident91 Ų9182.9 Ų82.943%0.42542%0.421SS..Hα-helixtrans-61-40.4175.1-71179.6-173.900111.5L116 E123 Q124L116-E120 WeakPolarHBondContact O-CG 3.49Å; L116-E120 PolarHBondContact O-N 2.84Å; E120-E123 PolarHBondContact O-N 3.39Å; E120-Q124 WeakPolarHBondContact O-CG 3.44Å; E120-Q124 PolarHBondContact O-N 3.29Å; E120-Q124 VanDerWaalsContact O-N 3.08Å
121L79Confident72.6Confident107 Ų10786.7 Ų86.756%0.5644%0.44SS*.Hα-helixtrans-66.4-42.4176.3-171.170.4000111.7N117 A119 Q124 V125N117-L121 WeakPolarHBondContact O-CB 3.4Å; N117-L121 PolarHBondContact O-N 3.06Å; A119-L121 VanDerWaalsContact C-N 3.31Å; A119-L121 PolarHBondContact O-N 3.44Å; L121-Q124 PolarHBondContact O-N 3.07Å; L121-V125 VanDerWaalsContact O-CG2 3.28Å; L121-V125 WeakPolarHBondContact O-CG2 3.24Å; L121-V125 PolarHBondContact O-N 3.38Å
122S74.2Confident70.4Confident49 Ų4992 Ų9234%0.34347%0.465SS..Hα-helixtrans-66.4-35.8176.5-71.20000112.8Y14 S118 A119 V125 Q126Y14-S122 WeakPolarHBondContact OH-CB 3.49Å; Y14-S122 PolarHBondContact OH-OG 3.02Å; S118-S122 WeakPolarHBondContact O-CB 3.28Å; S118-S122 PolarHBondContact O-N 3.28Å; S118-S122 PolarHBondContact O-OG 3.44Å; S118-S122 VanDerWaalsContact O-OG 3.13Å; A119-S122 PolarHBondContact O-N 3.39Å; S122-V125 PolarHBondContact O-N 3.26Å; S122-Q126 WeakPolarHBondContact O-CB 3.39Å; S122-Q126 WeakPolarHBondContact O-CG 3.49Å; S122-Q126 PolarHBondContact O-N 3.06Å
123E71.6Confident68.2Low125 Ų12598.6 Ų98.658%0.58450%0.496SS*.Hα-helixtrans-65-40.9174.2-167.7177-172.400111.2A119 E120 V125 Q126 L127A119-E123 WeakPolarHBondContact O-CB 3.38Å; A119-E123 PolarHBondContact O-N 2.99Å; E120-E123 PolarHBondContact O-N 3.39Å; E123-V125 VanDerWaalsContact C-N 3.33Å; E123-V125 PolarHBondContact O-N 2.93Å; E123-Q126 PolarHBondContact O-N 3.3Å; E123-L127 PolarHBondContact O-N 3.31Å
124Q67.5Low66.3Low122 Ų12296.2 Ų96.257%0.5750%0.495SS*.Hα-helixtrans-64.5-35.3173.2-71.7173.71900112.8E120 L121E120-Q124 WeakPolarHBondContact O-CG 3.44Å; E120-Q124 PolarHBondContact O-N 3.29Å; E120-Q124 VanDerWaalsContact O-N 3.08Å; L121-Q124 PolarHBondContact O-N 3.07Å
125V60.5Low64.8Low71 Ų7198.1 Ų98.143%0.4351%0.506SS..Hα-helixtrans-75-36.6175.4173.40000111.5L121 S122 E123 L127 L128 Q129L121-V125 VanDerWaalsContact O-CG2 3.28Å; L121-V125 WeakPolarHBondContact O-CG2 3.24Å; L121-V125 PolarHBondContact O-N 3.38Å; S122-V125 PolarHBondContact O-N 3.26Å; E123-V125 VanDerWaalsContact C-N 3.33Å; E123-V125 PolarHBondContact O-N 2.93Å; V125-L127 VanDerWaalsContact C-N 3.35Å; V125-L127 PolarHBondContact O-N 3.22Å; V125-L128 CarbonylContact O-C 3.52Å; V125-L128 WeakPolarHBondContact O-CA 3.35Å; V125-L128 WeakPolarHBondContact O-CB 3.46Å; V125-L128 PolarHBondContact O-N 3.32Å; V125-Q129 PolarHBondContact O-N 3.23Å; V125-Q129 VanDerWaalsContact O-N 3.09Å
126Q53.6Low63.3Low107 Ų107103.6 Ų103.650%0.553%0.531SS..Hα-helixtrans-64.7-36174.7-85.8-178.4-1500112.3S122 E123 L128 Q129 V130S122-Q126 WeakPolarHBondContact O-CB 3.39Å; S122-Q126 WeakPolarHBondContact O-CG 3.49Å; S122-Q126 PolarHBondContact O-N 3.06Å; E123-Q126 PolarHBondContact O-N 3.3Å; Q126-L128 PolarHBondContact O-N 3.4Å; Q126-L128 VanDerWaalsContact O-N 3.09Å; Q126-Q129 CarbonylContact O-C 3.46Å; Q126-Q129 PolarHBondContact O-N 2.72Å; Q126-V130 WeakPolarHBondContact O-CG2 3.42Å; Q126-V130 PolarHBondContact O-N 3.35Å
127L55.1Low62Low138 Ų138106.4 Ų106.472%0.72355%0.549SS*.THydrogen-bonded Turntrans-58.7-19.8170.5-84.8156.2000113.3E123 V125E123-L127 PolarHBondContact O-N 3.31Å; V125-L127 VanDerWaalsContact C-N 3.35Å; V125-L127 PolarHBondContact O-N 3.22Å
128L51Low61Low150 Ų150105.8 Ų105.879%0.78555%0.549SS*.THydrogen-bonded Turntrans-100.2-13.1175.6-62.9168.2000113.4V125 Q126V125-L128 CarbonylContact O-C 3.52Å; V125-L128 WeakPolarHBondContact O-CA 3.35Å; V125-L128 WeakPolarHBondContact O-CB 3.46Å; V125-L128 PolarHBondContact O-N 3.32Å; Q126-L128 PolarHBondContact O-N 3.4Å; Q126-L128 VanDerWaalsContact O-N 3.09Å
129Q46.3Very low60.4Low156 Ų156105.3 Ų105.373%0.72955%0.546SS*.SBendtrans-14078.5179.7-72.5-176.1-17.200110V125 Q126V125-Q129 PolarHBondContact O-N 3.23Å; V125-Q129 VanDerWaalsContact O-N 3.09Å; Q126-Q129 CarbonylContact O-C 3.46Å; Q126-Q129 PolarHBondContact O-N 2.72Å
130V42.5Very low60.1Low99 Ų99107.9 Ų107.960%0.656%0.556SS**  trans-101.1120.2172.9-178.90000108.3Q126Q126-V130 WeakPolarHBondContact O-CG2 3.42Å; Q126-V130 PolarHBondContact O-N 3.35Å
131E49.8Very low60.1Low166 Ų166109.1 Ų109.178%0.77656%0.562SS**SBendtrans-163.6-27.9149.2-116165.4-174.300117.4M135E131-M135 VanDerWaalsContact O-CB 3.31Å; E131-M135 WeakPolarHBondContact O-CB 3.33Å
132Q43.4Very low60.5Low170 Ų170108 Ų10879%0.79455%0.554SS**SBendtrans-92.7-57.9-167.7-111168.1-14.700116.9A134 M135 E136Q132-A134 PolarHBondContact O-N 2.73Å; Q132-M135 PolarHBondContact O-N 3.04Å; Q132-E136 PolarHBondContact O-N 3.4Å
133E44.8Very low61.1Low140 Ų140105.8 Ų105.865%0.65454%0.538SS*.Hα-helixtrans-71.6-33.4-174.1-72.6-177.9160.500113.9M135 T137E133-M135 PolarHBondContact O-N 2.86Å; E133-T137 PolarHBondContact O-N 3.47Å; E133-T137 PolarHBondContact O-OG1 3.3Å
134A50.5Low61.9Low52 Ų52103.3 Ų103.343%0.4353%0.527SS..Hα-helixtrans-66.5-28.1174.900000112.3Q132 T137 T138Q132-A134 PolarHBondContact O-N 2.73Å; A134-T137 PolarHBondContact O-OG1 3.47Å; A134-T138 WeakPolarHBondContact O-CB 3.44Å; A134-T138 PolarHBondContact O-N 3.03Å; A134-T138 PolarHBondContact O-OG1 2.93Å
135M56.2Low63Low140 Ų140105.6 Ų105.669%0.6953%0.53SS*.Hα-helixtrans-77.2-39.7-179.6-171.2176.7170.800111.7E131 Q132 E133 T138 C139E131-M135 VanDerWaalsContact O-CB 3.31Å; E131-M135 WeakPolarHBondContact O-CB 3.33Å; Q132-M135 PolarHBondContact O-N 3.04Å; E133-M135 PolarHBondContact O-N 2.86Å; M135-T138 PolarHBondContact O-N 3.49Å; M135-C139 WeakPolarHBondContact O-CB 3.46Å; M135-C139 PolarHBondContact O-N 3.37Å
136E56.8Low64.5Low130 Ų130106.5 Ų106.561%0.60753%0.528SS*.Hα-helixtrans-63.7-47.1176.3-72.9-169.6167.500112Q132 T138 C139 Q140Q132-E136 PolarHBondContact O-N 3.4Å; E136-T138 VanDerWaalsContact C-N 3.31Å; E136-T138 PolarHBondContact O-N 2.88Å; E136-C139 PolarHBondContact O-N 3.26Å; E136-Q140 WeakPolarHBondContact O-CG 3.49Å; E136-Q140 PolarHBondContact O-N 3.09Å
137T61.4Low66.3Low76 Ų76101.5 Ų101.547%0.46651%0.505SS..Hα-helixtrans-61.9-37.6177.540.70000112.4E133 A134 Q141E133-T137 PolarHBondContact O-N 3.47Å; E133-T137 PolarHBondContact O-OG1 3.3Å; A134-T137 PolarHBondContact O-OG1 3.47Å; T137-Q141 WeakPolarHBondContact O-CG 3.45Å; T137-Q141 PolarHBondContact O-N 3.33Å
138T66.6Low68.1Low85 Ų8596.9 Ų96.952%0.52149%0.486SS..Hα-helixtrans-66.6-40.9175.5-57.50000112A134 M135 E136 Q141 E142A134-T138 WeakPolarHBondContact O-CB 3.44Å; A134-T138 PolarHBondContact O-N 3.03Å; A134-T138 PolarHBondContact O-OG1 2.93Å; M135-T138 PolarHBondContact O-N 3.49Å; E136-T138 VanDerWaalsContact C-N 3.31Å; E136-T138 PolarHBondContact O-N 2.88Å; T138-Q141 PolarHBondContact O-N 3.45Å; T138-E142 PolarHBondContact O-N 3.06Å; T138-E142 VanDerWaalsContact O-N 3.07Å
139C70.6Confident70.1Confident30 Ų3091 Ų9120%0.20346%0.462CS..Hα-helixtrans-63.2-42.6177.4-170.90000111.9M135 E136 E142 L143 K231M135-C139 WeakPolarHBondContact O-CB 3.46Å; M135-C139 PolarHBondContact O-N 3.37Å; E136-C139 PolarHBondContact O-N 3.26Å; C139-E142 PolarHBondContact O-N 2.96Å; C139-L143 PolarHBondContact O-N 2.93Å; C139-L143 VanDerWaalsContact O-N 3.13Å; C139-K231 PolarHBondContact SG-NZ 2.87Å
140Q78.4Confident72.4Confident61 Ų6183.6 Ų83.629%0.28543%0.427SS..Hα-helixtrans-62.9-43.5177-66-172.1-1.800112.4E136 E142 L143 E144 Q255 W259E136-Q140 WeakPolarHBondContact O-CG 3.49Å; E136-Q140 PolarHBondContact O-N 3.09Å; Q140-E142 VanDerWaalsContact C-N 3.33Å; Q140-E142 PolarHBondContact O-N 2.83Å; Q140-L143 PolarHBondContact O-N 2.86Å; Q140-E144 WeakPolarHBondContact O-CG 3.41Å; Q140-E144 PolarHBondContact O-N 3.24Å; Q140-Q255 VanDerWaalsContact CD-NE2 3.29Å; Q140-W259 HydrophobicContact CB-CH2 4.35Å; Q140-W259 HydrophobicContact CB-CZ2 4.32Å; Q140-W259 HydrophobicContact CG-CH2 4.05Å; Q140-W259 HydrophobicContact CG-CZ2 4.49Å
141Q82.8Confident74.9Confident118 Ų11884 Ų8455%0.55142%0.418SS*.Hα-helixtrans-64.6-36.9177.6-71.8177.89.100112.5T137 T138 L143 E144 R145T137-Q141 WeakPolarHBondContact O-CG 3.45Å; T137-Q141 PolarHBondContact O-N 3.33Å; T138-Q141 PolarHBondContact O-N 3.45Å; Q141-L143 VanDerWaalsContact C-N 3.33Å; Q141-E144 PolarHBondContact O-N 3.29Å; Q141-R145 PolarHBondContact O-N 3.43Å
142E86.2Confident77Confident82 Ų8280.5 Ų80.538%0.38340%0.404SS..Hα-helixtrans-62.2-43.1174.8-168.5-170.3153.300111.2T138 C139 Q140 R145 K146T138-E142 PolarHBondContact O-N 3.06Å; T138-E142 VanDerWaalsContact O-N 3.07Å; C139-E142 PolarHBondContact O-N 2.96Å; Q140-E142 VanDerWaalsContact C-N 3.33Å; Q140-E142 PolarHBondContact O-N 2.83Å; E142-R145 WeakPolarHBondContact O-CB 3.48Å; E142-R145 PolarHBondContact O-N 2.99Å; E142-K146 WeakPolarHBondContact O-CG 3.29Å; E142-K146 PolarHBondContact O-N 2.91Å; E142-K146 WeakPolarHBondContact OE1-CE 3.41Å; E142-K146 IonicContact OE1-NZ 3.42Å; E142-K146 PolarHBondContact OE1-NZ 2.82Å
143L87.5Confident79.4Confident3 Ų374.6 Ų74.62%0.01638%0.378CS..Hα-helixtrans-65.8-42.5179.5-164.165.7000111.9C139 Q140 Q141 R145 K146 M147 L224 L227 L228 E232 W259C139-L143 PolarHBondContact O-N 2.93Å; C139-L143 VanDerWaalsContact O-N 3.13Å; Q140-L143 PolarHBondContact O-N 2.86Å; Q141-L143 VanDerWaalsContact C-N 3.33Å; L143-R145 VanDerWaalsContact C-N 3.3Å; L143-R145 PolarHBondContact O-N 3.36Å; L143-K146 PolarHBondContact O-N 3.33Å; L143-M147 HydrophobicContact CD1-CE 4.32Å; L143-M147 HydrophobicContact CD2-CE 4.11Å; L143-M147 HydrophobicContact CG-CE 3.8Å; L143-M147 WeakPolarHBondContact O-CG 3.42Å; L143-M147 PolarHBondContact O-N 3.49Å; L143-L224 HydrophobicContact CD1-CD2 3.68Å; L143-L227 HydrophobicContact CD1-CD2 3.42Å; L143-L227 VanDerWaalsContact CD1-CD2 3.42Å; L143-L227 HydrophobicContact CD1-CG 4.04Å; L143-L228 HydrophobicContact CD2-CD2 3.8Å; L143-E232 HydrophobicContact CD2-CG 4.13Å; L143-W259 HydrophobicContact CB-CZ2 4.36Å; L143-W259 HydrophobicContact CD2-CD2 3.68Å; L143-W259 HydrophobicContact CD2-CE3 3.5Å; L143-W259 VanDerWaalsContact CD2-CE3 3.5Å; L143-W259 HydrophobicContact CD2-CG 4.47Å; L143-W259 HydrophobicContact CD2-CH2 3.69Å; L143-W259 HydrophobicContact CD2-CZ2 3.82Å; L143-W259 HydrophobicContact CD2-CZ3 3.53Å; L143-W259 HydrophobicContact CG-CD2 4.49Å; L143-W259 HydrophobicContact CG-CZ2 4.49Å
144E89.4Confident81.8Confident74 Ų7467.9 Ų67.935%0.34635%0.347SS..Hα-helixtrans-60.8-39.2174.1-70.5-160.7137.500112.2Q140 Q141 M147 A148 K258 W259Q140-E144 WeakPolarHBondContact O-CG 3.41Å; Q140-E144 PolarHBondContact O-N 3.24Å; Q141-E144 PolarHBondContact O-N 3.29Å; E144-M147 PolarHBondContact O-N 2.95Å; E144-A148 PolarHBondContact O-N 3.32Å; E144-K258 IonicContact OE1-NZ 2.8Å; E144-K258 PolarHBondContact OE1-NZ 3.38Å; E144-W259 HydrophobicContact CG-CZ2 4.45Å
145R90.2Very high83.9Confident170 Ų17071.1 Ų71.164%0.64235%0.353SS*.Hα-helixtrans-63.2-44.9174.6-168.1-170.5-56.8129.14.1111.6Q141 E142 L143 M147 A148 G149Q141-R145 PolarHBondContact O-N 3.43Å; E142-R145 WeakPolarHBondContact O-CB 3.48Å; E142-R145 PolarHBondContact O-N 2.99Å; L143-R145 VanDerWaalsContact C-N 3.3Å; L143-R145 PolarHBondContact O-N 3.36Å; R145-M147 VanDerWaalsContact C-N 3.31Å; R145-M147 PolarHBondContact O-N 3.01Å; R145-A148 PolarHBondContact O-N 3.45Å; R145-G149 PolarHBondContact O-N 2.95Å
146K91.6Very high85.8Confident90 Ų9068.6 Ų68.639%0.39135%0.349SS..Hα-helixtrans-62.3-38.5176.8-71.2178.2-178.2168.90111.7E142 L143 G149 L150 L224E142-K146 WeakPolarHBondContact O-CG 3.29Å; E142-K146 PolarHBondContact O-N 2.91Å; E142-K146 WeakPolarHBondContact OE1-CE 3.41Å; E142-K146 IonicContact OE1-NZ 3.42Å; E142-K146 PolarHBondContact OE1-NZ 2.82Å; L143-K146 PolarHBondContact O-N 3.33Å; K146-G149 PolarHBondContact O-N 3.37Å; K146-L150 PolarHBondContact O-N 3.37Å; K146-L224 HydrophobicContact CB-CD1 4.47Å; K146-L224 HydrophobicContact CB-CD2 3.73Å; K146-L224 HydrophobicContact CB-CG 4.44Å; K146-L224 HydrophobicContact CD-CD2 4.32Å
147M91.8Very high87.6Confident2 Ų262.7 Ų62.71%0.0132%0.321CS..Hα-helixtrans-69.6-37.6175.7-70.9-176.2-171.600113.8L143 E144 R145 G149 L150 R151 L224 L228 W259 C262L143-M147 HydrophobicContact CD1-CE 4.32Å; L143-M147 HydrophobicContact CD2-CE 4.11Å; L143-M147 HydrophobicContact CG-CE 3.8Å; L143-M147 WeakPolarHBondContact O-CG 3.42Å; L143-M147 PolarHBondContact O-N 3.49Å; E144-M147 PolarHBondContact O-N 2.95Å; R145-M147 VanDerWaalsContact C-N 3.31Å; R145-M147 PolarHBondContact O-N 3.01Å; M147-G149 VanDerWaalsContact C-N 3.29Å; M147-L150 PolarHBondContact O-N 2.96Å; M147-R151 PolarHBondContact O-N 2.78Å; M147-L224 HydrophobicContact CG-CD2 4.48Å; M147-L228 HydrophobicContact CE-CD1 3.95Å; M147-L228 HydrophobicContact CE-CD2 3.87Å; M147-L228 HydrophobicContact CE-CG 4.3Å; M147-W259 HydrophobicContact CE-CB 3.19Å; M147-W259 VanDerWaalsContact CE-CD1 3.47Å; M147-W259 HydrophobicContact CE-CD2 3.98Å; M147-W259 HydrophobicContact CE-CG 3.23Å; M147-W259 VanDerWaalsContact SD-CA 3.59Å; M147-W259 HydrophobicContact SD-CB 3.75Å; M147-W259 HydrophobicContact SD-CG 3.55Å; M147-W259 VanDerWaalsContact SD-CG 3.55Å; M147-C262 HydrophobicContact SD-CB 4.39Å
148A92.4Very high89.2Confident40 Ų4063 Ų6333%0.33132%0.317SS..Hα-helixtrans-61.5-42.3171.100000110.6E144 R145 R151 N152E144-A148 PolarHBondContact O-N 3.32Å; R145-A148 PolarHBondContact O-N 3.45Å; A148-R151 PolarHBondContact O-N 3.39Å; A148-N152 VanDerWaalsContact O-CG 3.24Å; A148-N152 PolarHBondContact O-N 2.9Å; A148-N152 PolarHBondContact O-OD1 3.1Å
149G92.8Very high90.5Very high26 Ų2664.9 Ų64.927%0.26832%0.32SS..Hα-helixtrans-56-51.9172.600000112.8R145 K146 M147 R151 N152 D153R145-G149 PolarHBondContact O-N 2.95Å; K146-G149 PolarHBondContact O-N 3.37Å; M147-G149 VanDerWaalsContact C-N 3.29Å; G149-R151 VanDerWaalsContact C-N 3.33Å; G149-R151 PolarHBondContact O-N 2.89Å; G149-N152 PolarHBondContact O-N 3.05Å; G149-D153 VanDerWaalsContact O-CG 3.27Å; G149-D153 PolarHBondContact O-N 2.89Å
150L94.3Very high91.6Very high2 Ų265 Ų651%0.0132%0.323CS..Hα-helixtrans-58.3-43.2178.8-176.168.2000112.2K146 M147 D153 V154 L217 R220 A221 L224 V263 C266K146-L150 PolarHBondContact O-N 3.37Å; M147-L150 PolarHBondContact O-N 2.96Å; L150-D153 PolarHBondContact O-N 2.93Å; L150-V154 WeakPolarHBondContact O-CG2 3.28Å; L150-V154 PolarHBondContact O-N 3.32Å; L150-L217 HydrophobicContact CD1-CD2 3.94Å; L150-L217 HydrophobicContact CD1-CG 4.05Å; L150-R220 HydrophobicContact CD1-CB 4.35Å; L150-A221 HydrophobicContact CD1-CB 4.3Å; L150-A221 HydrophobicContact CD2-CB 4.49Å; L150-L224 HydrophobicContact CB-CD1 4.07Å; L150-L224 HydrophobicContact CD2-CD1 3.87Å; L150-L224 HydrophobicContact CG-CD1 4.48Å; L150-V263 HydrophobicContact CD2-CG1 4.48Å; L150-V263 HydrophobicContact CD2-CG2 4.31Å; L150-C266 HydrophobicContact CD2-CB 3.97Å; L150-C266 HydrophobicContact CG-CB 4.21Å
151R94.6Very high92.4Very high108 Ų10862.4 Ų62.441%0.40831%0.311SS..Hα-helixtrans-62.6-42.8176.8-81.2-174.7-77.1-155.8-3.4112.5M147 A148 G149 D153 V154 Q155 C262M147-R151 PolarHBondContact O-N 2.78Å; A148-R151 PolarHBondContact O-N 3.39Å; G149-R151 VanDerWaalsContact C-N 3.33Å; G149-R151 PolarHBondContact O-N 2.89Å; R151-D153 VanDerWaalsContact C-N 3.33Å; R151-V154 PolarHBondContact O-N 2.91Å; R151-Q155 WeakPolarHBondContact O-CG 3.4Å; R151-Q155 PolarHBondContact O-N 3.12Å; R151-C262 WeakPolarHBondContact CD-SG 3.41Å; R151-C262 VanDerWaalsContact CZ-SG 3.59Å; R151-C262 PolarHBondContact NE-SG 3.06Å; R151-C262 VanDerWaalsContact NE-SG 3.39Å
152N94.6Very high92.9Very high91 Ų9160.6 Ų60.649%0.48730%0.304SS..Hα-helixtrans-63.9-40.9177.2-68.3-11.5000111.1A148 G149 V154 Q155 C156A148-N152 VanDerWaalsContact O-CG 3.24Å; A148-N152 PolarHBondContact O-N 2.9Å; A148-N152 PolarHBondContact O-OD1 3.1Å; G149-N152 PolarHBondContact O-N 3.05Å; N152-V154 VanDerWaalsContact C-N 3.33Å; N152-V154 PolarHBondContact O-N 2.84Å; N152-Q155 PolarHBondContact O-N 2.92Å; N152-C156 PolarHBondContact O-N 2.95Å; N152-C156 PolarHBondContact O-SG 2.68Å
153D94.3Very high93.3Very high46 Ų4658.4 Ų58.425%0.24630%0.298CS..Hα-helixtrans-61.3-41.9176.4-61.8-34.7000111.7G149 L150 R151 C156 L157 L217 R220G149-D153 VanDerWaalsContact O-CG 3.27Å; G149-D153 PolarHBondContact O-N 2.89Å; L150-D153 PolarHBondContact O-N 2.93Å; R151-D153 VanDerWaalsContact C-N 3.33Å; D153-C156 PolarHBondContact O-N 2.89Å; D153-L157 WeakPolarHBondContact O-CB 3.4Å; D153-L157 PolarHBondContact O-N 3.01Å; D153-L217 HydrophobicContact CB-CD1 4.28Å; D153-L217 HydrophobicContact CB-CG 4.49Å; D153-R220 IonicContact OD1-NH1 3.51Å; D153-R220 PolarHBondContact OD1-NH1 3Å; D153-R220 WeakPolarHBondContact OD2-CD 3.44Å; D153-R220 IonicContact OD2-CZ 3.94Å; D153-R220 IonicContact OD2-NE 2.82Å; D153-R220 IonicContact OD2-NH1 2.77Å; D153-R220 PolarHBondContact OD2-NH1 3.37Å
154V95.8Very high93.6Very high0 Ų058.3 Ų58.30%030%0.297CS..Hα-helixtrans-61.6-43.7176173.70000111.4L150 R151 N152 L157 E158 L217 C266 Q269 F273L150-V154 WeakPolarHBondContact O-CG2 3.28Å; L150-V154 PolarHBondContact O-N 3.32Å; R151-V154 PolarHBondContact O-N 2.91Å; N152-V154 VanDerWaalsContact C-N 3.33Å; N152-V154 PolarHBondContact O-N 2.84Å; V154-L157 PolarHBondContact O-N 3.39Å; V154-E158 PolarHBondContact O-N 3.46Å; V154-L217 HydrophobicContact CB-CD1 4.41Å; V154-L217 HydrophobicContact CG2-CD1 3.69Å; V154-L217 HydrophobicContact CG2-CD2 4.3Å; V154-L217 HydrophobicContact CG2-CG 4.35Å; V154-C266 HydrophobicContact CG2-CB 3.75Å; V154-Q269 HydrophobicContact CG1-CB 3.87Å; V154-Q269 HydrophobicContact CG1-CG 4.43Å; V154-F273 HydrophobicContact CG1-CE2 3.87Å; V154-F273 HydrophobicContact CG1-CZ 3.91Å
155Q94.8Very high93.8Very high119 Ų11956.8 Ų56.856%0.55629%0.29SS*.Hα-helixtrans-64.9-42.4177.4-71.8176.4-11.200112.3R151 N152 L157 E158 H159R151-Q155 WeakPolarHBondContact O-CG 3.4Å; R151-Q155 PolarHBondContact O-N 3.12Å; N152-Q155 PolarHBondContact O-N 2.92Å; Q155-L157 VanDerWaalsContact C-N 3.28Å; Q155-L157 PolarHBondContact O-N 2.84Å; Q155-E158 WeakPolarHBondContact O-CB 3.48Å; Q155-E158 PolarHBondContact O-N 2.88Å; Q155-H159 PolarHBondContact O-N 2.99Å; Q155-H159 VanDerWaalsContact O-N 3.1Å
156C94.4Very high94Very high88 Ų8854.1 Ų54.160%0.59529%0.285SS*.Hα-helixtrans-60.3-41.2174.6-71.70000111.4N152 D153 H159 A160N152-C156 PolarHBondContact O-N 2.95Å; N152-C156 PolarHBondContact O-SG 2.68Å; D153-C156 PolarHBondContact O-N 2.89Å; C156-H159 PolarHBondContact O-N 3.49Å; C156-A160 PolarHBondContact O-N 2.96Å
157L94.7Very high94Very high5 Ų553 Ų533%0.02628%0.281CS..Hα-helixtrans-70.5-37.3178.9-173.466.7000112.4D153 V154 Q155 H159 A160 I161 T210 D213 L214 L217 F273D153-L157 WeakPolarHBondContact O-CB 3.4Å; D153-L157 PolarHBondContact O-N 3.01Å; V154-L157 PolarHBondContact O-N 3.39Å; Q155-L157 VanDerWaalsContact C-N 3.28Å; Q155-L157 PolarHBondContact O-N 2.84Å; L157-H159 VanDerWaalsContact C-N 3.33Å; L157-H159 PolarHBondContact O-N 3.02Å; L157-A160 WeakPolarHBondContact O-CB 3.37Å; L157-A160 PolarHBondContact O-N 3.1Å; L157-I161 HydrophobicContact CG-CD1 4.26Å; L157-I161 WeakPolarHBondContact O-CG1 3.44Å; L157-I161 PolarHBondContact O-N 3.32Å; L157-T210 HydrophobicContact CD1-CG2 3.79Å; L157-D213 HydrophobicContact CD1-CB 4.22Å; L157-L214 HydrophobicContact CD1-CG 4.29Å; L157-L214 HydrophobicContact CD2-CD2 3.42Å; L157-L214 VanDerWaalsContact CD2-CD2 3.42Å; L157-L214 HydrophobicContact CD2-CG 3.62Å; L157-L217 HydrophobicContact CD2-CD1 3.89Å; L157-F273 HydrophobicContact CB-CE2 4.16Å; L157-F273 HydrophobicContact CD2-CD2 3.57Å; L157-F273 HydrophobicContact CD2-CE2 3.84Å; L157-F273 HydrophobicContact CG-CD2 4Å; L157-F273 HydrophobicContact CG-CE2 4.08Å
158E95.1Very high94Very high83 Ų8353 Ų5339%0.38828%0.281SS..Hα-helixtrans-55.9-50.2172-170.4166.5-160.100110.7V154 Q155 A160 I161 I162 F273V154-E158 PolarHBondContact O-N 3.46Å; Q155-E158 WeakPolarHBondContact O-CB 3.48Å; Q155-E158 PolarHBondContact O-N 2.88Å; E158-A160 VanDerWaalsContact C-N 3.34Å; E158-A160 PolarHBondContact O-N 3.02Å; E158-I161 PolarHBondContact O-N 3.29Å; E158-I162 HydrophobicContact CG-CD1 4.38Å; E158-I162 WeakPolarHBondContact O-CG1 3.47Å; E158-I162 PolarHBondContact O-N 3.31Å; E158-F273 HydrophobicContact CB-CE1 3.81Å; E158-F273 HydrophobicContact CB-CZ 3.59Å; E158-F273 HydrophobicContact CG-CE1 3.88Å; E158-F273 HydrophobicContact CG-CZ 4.13Å
159H94.5Very high94Very high125 Ų12554.4 Ų54.458%0.57928%0.283SS*.Hα-helixtrans-61.2-41.4175.8-175.6-76.5000112Q155 C156 L157 I161 I162 C163Q155-H159 PolarHBondContact O-N 2.99Å; Q155-H159 VanDerWaalsContact O-N 3.1Å; C156-H159 PolarHBondContact O-N 3.49Å; L157-H159 VanDerWaalsContact C-N 3.33Å; L157-H159 PolarHBondContact O-N 3.02Å; H159-I161 VanDerWaalsContact C-N 3.3Å; H159-I161 PolarHBondContact O-N 3.21Å; H159-I162 PolarHBondContact O-N 2.84Å; H159-C163 PolarHBondContact CE1-SG 3.06Å; H159-C163 PolarHBondContact O-N 2.84Å; H159-C163 PolarHBondContact O-SG 3.43Å; H159-C163 VanDerWaalsContact O-SG 3.39Å
160A94.1Very high93.9Very high32 Ų3256.8 Ų56.826%0.26429%0.287SS..Hα-helixtrans-61.3-37.9177.300000112.5C156 L157 E158 L164C156-A160 PolarHBondContact O-N 2.96Å; L157-A160 WeakPolarHBondContact O-CB 3.37Å; L157-A160 PolarHBondContact O-N 3.1Å; E158-A160 VanDerWaalsContact C-N 3.34Å; E158-A160 PolarHBondContact O-N 3.02Å; A160-L164 WeakPolarHBondContact O-CB 3.38Å; A160-L164 PolarHBondContact O-N 2.85Å
161I94.4Very high93.8Very high7 Ų757.7 Ų57.74%0.03629%0.291CS..Hα-helixtrans-70.3-39.2177.1-70.3167.7000111.5L157 E158 H159 L164 E165 T210 F273 K276L157-I161 HydrophobicContact CG-CD1 4.26Å; L157-I161 WeakPolarHBondContact O-CG1 3.44Å; L157-I161 PolarHBondContact O-N 3.32Å; E158-I161 PolarHBondContact O-N 3.29Å; H159-I161 VanDerWaalsContact C-N 3.3Å; H159-I161 PolarHBondContact O-N 3.21Å; I161-L164 WeakPolarHBondContact O-CB 3.12Å; I161-L164 PolarHBondContact O-N 2.96Å; I161-E165 PolarHBondContact O-N 3.31Å; I161-T210 HydrophobicContact CD1-CG2 4.46Å; I161-T210 HydrophobicContact CG1-CG2 3.85Å; I161-F273 HydrophobicContact CD1-CB 3.31Å; I161-F273 HydrophobicContact CD1-CD1 3.6Å; I161-F273 HydrophobicContact CD1-CD2 3.91Å; I161-F273 HydrophobicContact CD1-CE1 4.43Å; I161-F273 HydrophobicContact CD1-CG 3.32Å; I161-K276 HydrophobicContact CG2-CB 4.32Å; I161-K276 HydrophobicContact CG2-CG 3.81Å
162I94.5Very high93.6Very high79 Ų7956.2 Ų56.241%0.40529%0.291SS..Hα-helixtrans-60.4-49.1173.7-66.9166.1000110E158 H159 L164 E165 E166E158-I162 HydrophobicContact CG-CD1 4.38Å; E158-I162 WeakPolarHBondContact O-CG1 3.47Å; E158-I162 PolarHBondContact O-N 3.31Å; H159-I162 PolarHBondContact O-N 2.84Å; I162-L164 VanDerWaalsContact C-N 3.27Å; I162-L164 PolarHBondContact O-N 3.49Å; I162-E165 WeakPolarHBondContact O-CB 3.4Å; I162-E165 PolarHBondContact O-N 2.77Å; I162-E165 VanDerWaalsContact O-N 3.15Å; I162-E166 WeakPolarHBondContact O-CG 3.35Å; I162-E166 PolarHBondContact O-N 3.41Å
163C93.6Very high93.4Very high37 Ų3759 Ų5925%0.2530%0.299CS..Hα-helixtrans-60.9-36.9176.2-67.90000112.6H159 E166 Q167H159-C163 PolarHBondContact CE1-SG 3.06Å; H159-C163 PolarHBondContact O-N 2.84Å; H159-C163 PolarHBondContact O-SG 3.43Å; H159-C163 VanDerWaalsContact O-SG 3.39Å; C163-E166 PolarHBondContact O-N 2.9Å; C163-Q167 WeakPolarHBondContact O-CB 3.49Å; C163-Q167 VanDerWaalsContact O-CG 3.27Å; C163-Q167 WeakPolarHBondContact O-CG 3.48Å; C163-Q167 PolarHBondContact O-N 3.48Å
164L93.6Very high93.1Very high1 Ų160.3 Ų60.31%0.00530%0.303CS..Hα-helixtrans-63.4-42.6176178.969.2000111.4A160 I161 I162 Q168 L203 R207 L277 L280A160-L164 WeakPolarHBondContact O-CB 3.38Å; A160-L164 PolarHBondContact O-N 2.85Å; I161-L164 WeakPolarHBondContact O-CB 3.12Å; I161-L164 PolarHBondContact O-N 2.96Å; I162-L164 VanDerWaalsContact C-N 3.27Å; I162-L164 PolarHBondContact O-N 3.49Å; L164-Q168 WeakPolarHBondContact O-CB 3.35Å; L164-Q168 PolarHBondContact O-N 2.96Å; L164-Q168 VanDerWaalsContact O-N 3.07Å; L164-L203 HydrophobicContact CD1-CD2 3.8Å; L164-R207 HydrophobicContact CD1-CG 3.84Å; L164-R207 HydrophobicContact CD2-CG 4.15Å; L164-L277 HydrophobicContact CD2-CD2 3.68Å; L164-L280 HydrophobicContact CD2-CD1 3.9Å; L164-L280 HydrophobicContact CG-CD1 4.09Å
165E94.8Very high92.7Very high41 Ų4165.4 Ų65.419%0.19232%0.323CS..Hα-helixtrans-61.6-49.7174.4176.7162.7-140.200111.3I161 I162 Q167 Q168 D169 K276 L280 K283I161-E165 PolarHBondContact O-N 3.31Å; I162-E165 WeakPolarHBondContact O-CB 3.4Å; I162-E165 PolarHBondContact O-N 2.77Å; I162-E165 VanDerWaalsContact O-N 3.15Å; E165-Q167 VanDerWaalsContact C-N 3.34Å; E165-Q167 PolarHBondContact O-N 2.85Å; E165-Q168 WeakPolarHBondContact O-CB 3.43Å; E165-Q168 PolarHBondContact O-N 2.81Å; E165-D169 PolarHBondContact O-N 3.38Å; E165-K276 VanDerWaalsContact CD-NZ 3.26Å; E165-K276 WeakPolarHBondContact OE1-CE 3.34Å; E165-K276 IonicContact OE1-NZ 2.6Å; E165-K276 PolarHBondContact OE1-NZ 3.28Å; E165-K276 WeakPolarHBondContact OE2-CE 3.48Å; E165-K276 IonicContact OE2-NZ 3.42Å; E165-K276 PolarHBondContact OE2-NZ 2.98Å; E165-K276 VanDerWaalsContact OE2-NZ 3.11Å; E165-L280 HydrophobicContact CB-CD1 4.33Å; E165-L280 HydrophobicContact CB-CD2 3.9Å; E165-L280 HydrophobicContact CG-CD2 3.93Å; E165-K283 IonicContact OE1-NZ 3.58Å; E165-K283 PolarHBondContact OE1-NZ 2.64Å; E165-K283 VanDerWaalsContact OE1-NZ 3.11Å
166E93.8Very high92.4Very high114 Ų11463.6 Ų63.653%0.53331%0.314SS..Hα-helixtrans-58.3-43.7178.8-70.3175.2166.300112.4I162 C163 Q168 D169 E170I162-E166 WeakPolarHBondContact O-CG 3.35Å; I162-E166 PolarHBondContact O-N 3.41Å; C163-E166 PolarHBondContact O-N 2.9Å; E166-Q168 VanDerWaalsContact C-N 3.27Å; E166-Q168 PolarHBondContact O-N 3.45Å; E166-D169 PolarHBondContact O-N 3.26Å; E166-E170 WeakPolarHBondContact O-CB 3.35Å; E166-E170 PolarHBondContact O-N 3.18Å
167Q90.4Very high92Very high66 Ų6661.8 Ų61.831%0.30830%0.301SS..Hα-helixtrans-65.6-32.9177-73.4-61.9-70.700112.4C163 E165 E170 F171C163-Q167 WeakPolarHBondContact O-CB 3.49Å; C163-Q167 VanDerWaalsContact O-CG 3.27Å; C163-Q167 WeakPolarHBondContact O-CG 3.48Å; C163-Q167 PolarHBondContact O-N 3.48Å; E165-Q167 VanDerWaalsContact C-N 3.34Å; E165-Q167 PolarHBondContact O-N 2.85Å; Q167-E170 PolarHBondContact NE2-OE2 3.3Å; Q167-F171 PolarHBondContact O-N 2.96Å; Q167-F171 VanDerWaalsContact O-N 3.08Å
168Q93.2Very high91.4Very high3 Ų363.5 Ų63.51%0.01431%0.308CS..Hα-helixtrans-74.1-41.2176.8-172.1170.6-43.700112.3L164 E165 E166 E170 F171 D172 L203 L280 M284L164-Q168 WeakPolarHBondContact O-CB 3.35Å; L164-Q168 PolarHBondContact O-N 2.96Å; L164-Q168 VanDerWaalsContact O-N 3.07Å; E165-Q168 WeakPolarHBondContact O-CB 3.43Å; E165-Q168 PolarHBondContact O-N 2.81Å; E166-Q168 VanDerWaalsContact C-N 3.27Å; E166-Q168 PolarHBondContact O-N 3.45Å; Q168-E170 VanDerWaalsContact C-N 3.34Å; Q168-F171 PolarHBondContact O-N 3.1Å; Q168-D172 PolarHBondContact O-N 3.45Å; Q168-L203 HydrophobicContact CB-CD1 4.01Å; Q168-L203 HydrophobicContact CB-CD2 4.43Å; Q168-L203 HydrophobicContact CG-CD1 4.17Å; Q168-L280 PolarHBondContact NE2-O 3.21Å; Q168-M284 HydrophobicContact CG-CB 4.49Å; Q168-M284 HydrophobicContact CG-CE 4.09Å
169D92.6Very high90.7Very high69 Ų6966.9 Ų66.937%0.36932%0.322SS..Hα-helixtrans-66.7-37.7175.2-69.1-16.3000110.8E165 E166 F171 D172 F173 K283E165-D169 PolarHBondContact O-N 3.38Å; E166-D169 PolarHBondContact O-N 3.26Å; D169-F171 PolarHBondContact O-N 3.28Å; D169-D172 PolarHBondContact O-N 3.38Å; D169-F173 WeakPolarHBondContact O-CB 3.32Å; D169-F173 PolarHBondContact O-N 2.98Å; D169-K283 IonicContact OD1-NZ 3.13Å; D169-K283 PolarHBondContact OD1-NZ 3.46Å
170E91.1Very high90.1Very high76 Ų7669 Ų6936%0.35533%0.334SS..Hα-helixtrans-61.1-43.9172.6-172.9-170.8163.500111.5E166 Q167 Q168 K174E166-E170 WeakPolarHBondContact O-CB 3.35Å; E166-E170 PolarHBondContact O-N 3.18Å; Q167-E170 PolarHBondContact NE2-OE2 3.3Å; Q168-E170 VanDerWaalsContact C-N 3.34Å; E170-K174 HydrophobicContact CG-CD 4.32Å; E170-K174 WeakPolarHBondContact O-CB 3.38Å; E170-K174 WeakPolarHBondContact O-CG 3.3Å; E170-K174 PolarHBondContact O-N 3.05Å; E170-K174 VanDerWaalsContact O-N 3.07Å; E170-K174 WeakPolarHBondContact OE1-CE 3.45Å; E170-K174 IonicContact OE1-NZ 3.25Å; E170-K174 PolarHBondContact OE1-NZ 3.37Å
171F90.3Very high89.3Confident22 Ų2271.9 Ų71.910%0.09634%0.342CS..Hα-helixtrans-61.5-49.9174.8172.2-84.3000111.3Q167 Q168 D169 F173 K174 Y175 F196 L199 V200 L203 M284Q167-F171 PolarHBondContact O-N 2.96Å; Q167-F171 VanDerWaalsContact O-N 3.08Å; Q168-F171 PolarHBondContact O-N 3.1Å; D169-F171 PolarHBondContact O-N 3.28Å; F171-F173 VanDerWaalsContact C-N 3.34Å; F171-F173 PolarHBondContact O-N 3Å; F171-K174 PolarHBondContact O-N 3.48Å; F171-Y175 HydrophobicContact CE1-CD2 4.49Å; F171-Y175 HydrophobicContact CE1-CG 4.24Å; F171-Y175 HydrophobicContact CZ-CD2 4.16Å; F171-Y175 HydrophobicContact CZ-CG 4.35Å; F171-Y175 VanDerWaalsContact O-CB 3.32Å; F171-Y175 WeakPolarHBondContact O-CB 3.35Å; F171-Y175 PolarHBondContact O-N 3.15Å; F171-F196 HydrophobicContact CD2-CD1 4.21Å; F171-F196 HydrophobicContact CE2-CB 4.17Å; F171-F196 AromaticContact CE2-CD1 3.73Å; F171-F196 HydrophobicContact CE2-CD1 3.73Å; F171-F196 HydrophobicContact CE2-CG 4.38Å; F171-F196 HydrophobicContact CZ-CD1 4.4Å; F171-L199 HydrophobicContact CD2-CB 3.76Å; F171-L199 HydrophobicContact CD2-CD1 4.14Å; F171-L199 HydrophobicContact CE2-CB 4.39Å; F171-V200 HydrophobicContact CD2-CG2 4.16Å; F171-V200 HydrophobicContact CE2-CG2 3.43Å; F171-V200 VanDerWaalsContact CE2-CG2 3.43Å; F171-V200 HydrophobicContact CZ-CG2 3.68Å; F171-L203 HydrophobicContact CB-CD1 4.33Å; F171-M284 HydrophobicContact CB-CE 4.34Å; F171-M284 HydrophobicContact CD1-CE 2.98Å; F171-M284 HydrophobicContact CE1-CE 3.27Å; F171-M284 HydrophobicContact CG-CE 3.75Å; F171-M284 HydrophobicContact CZ-CE 4.23Å
172D90.6Very high87.7Confident76 Ų7676.3 Ų76.341%0.40638%0.38SS..Hα-helixtrans-61.2-45.4-177.5-175.952.6000110.4Q168 D169 K174 Y175 Q176Q168-D172 PolarHBondContact O-N 3.45Å; D169-D172 PolarHBondContact O-N 3.38Å; D172-K174 PolarHBondContact O-N 3.31Å; D172-Y175 PolarHBondContact O-N 3.21Å; D172-Y175 VanDerWaalsContact O-N 3.12Å; D172-Q176 WeakPolarHBondContact O-CG 3.38Å; D172-Q176 PolarHBondContact O-N 3.02Å; D172-Q176 PolarHBondContact OD1-NE2 2.99Å
173F90.9Very high86.2Confident149 Ų14974.4 Ų74.465%0.65437%0.372SS*.Hα-helixtrans-55.3-49.3175.1179.6-98.2000112.4D169 F171 Y175 T177D169-F173 WeakPolarHBondContact O-CB 3.32Å; D169-F173 PolarHBondContact O-N 2.98Å; F171-F173 VanDerWaalsContact C-N 3.34Å; F171-F173 PolarHBondContact O-N 3Å; F173-Y175 VanDerWaalsContact C-N 3.32Å; F173-Y175 PolarHBondContact O-N 3.36Å; F173-T177 WeakPolarHBondContact O-CB 3.48Å; F173-T177 PolarHBondContact O-N 3Å; F173-T177 PolarHBondContact O-OG1 3.39Å
174K88.5Confident84.6Confident74 Ų7479.7 Ų79.732%0.32240%0.403SS..Hα-helixtrans-63.1-38.8178-74.5174.8173.9173.40111.8E170 F171 D172 H178 F196 L199E170-K174 HydrophobicContact CG-CD 4.32Å; E170-K174 WeakPolarHBondContact O-CB 3.38Å; E170-K174 WeakPolarHBondContact O-CG 3.3Å; E170-K174 PolarHBondContact O-N 3.05Å; E170-K174 VanDerWaalsContact O-N 3.07Å; E170-K174 WeakPolarHBondContact OE1-CE 3.45Å; E170-K174 IonicContact OE1-NZ 3.25Å; E170-K174 PolarHBondContact OE1-NZ 3.37Å; F171-K174 PolarHBondContact O-N 3.48Å; D172-K174 PolarHBondContact O-N 3.31Å; K174-H178 WeakPolarHBondContact O-CB 3.38Å; K174-H178 PolarHBondContact O-N 3.36Å; K174-F196 HydrophobicContact CB-CE1 3.86Å; K174-F196 HydrophobicContact CB-CZ 4.47Å; K174-F196 WeakPolarHBondContact O-CZ 3.44Å; K174-L199 HydrophobicContact CD-CD1 4.09Å
175Y87.2Confident83.7Confident108 Ų10883.8 Ų83.842%0.42443%0.425SS..Hα-helixtrans-71.1-44.2-178.9-174.4-98.9000112.5F171 D172 F173 H178 K179 F196F171-Y175 HydrophobicContact CE1-CD2 4.49Å; F171-Y175 HydrophobicContact CE1-CG 4.24Å; F171-Y175 HydrophobicContact CZ-CD2 4.16Å; F171-Y175 HydrophobicContact CZ-CG 4.35Å; F171-Y175 VanDerWaalsContact O-CB 3.32Å; F171-Y175 WeakPolarHBondContact O-CB 3.35Å; F171-Y175 PolarHBondContact O-N 3.15Å; D172-Y175 PolarHBondContact O-N 3.21Å; D172-Y175 VanDerWaalsContact O-N 3.12Å; F173-Y175 VanDerWaalsContact C-N 3.32Å; F173-Y175 PolarHBondContact O-N 3.36Å; Y175-H178 WeakPolarHBondContact O-CB 3.45Å; Y175-H178 PolarHBondContact O-N 3.48Å; Y175-K179 PolarHBondContact O-N 3.33Å; Y175-F196 HydrophobicContact CD2-CD1 4.39Å; Y175-F196 HydrophobicContact CD2-CE1 4.36Å; Y175-F196 HydrophobicContact CD2-CZ 4.48Å
176Q88Confident82.7Confident81 Ų8189.4 Ų89.438%0.37945%0.451SS..Hα-helixtrans-64.4-43.8175.5-62.4-54.2-24.400111.3D172 H178 K179 M180D172-Q176 WeakPolarHBondContact O-CG 3.38Å; D172-Q176 PolarHBondContact O-N 3.02Å; D172-Q176 PolarHBondContact OD1-NE2 2.99Å; Q176-H178 VanDerWaalsContact C-N 3.29Å; Q176-H178 PolarHBondContact O-N 3.01Å; Q176-K179 WeakPolarHBondContact O-CB 3.48Å; Q176-K179 PolarHBondContact O-N 2.96Å; Q176-M180 WeakPolarHBondContact O-CG 3.41Å; Q176-M180 PolarHBondContact O-N 3.17Å; Q176-M180 VanDerWaalsContact O-N 3.16Å
177T86.8Confident81.8Confident50 Ų5087 Ų8731%0.30745%0.45SS..Hα-helixtrans-56.3-46.5175.5-56.20000110.7F173 K179 M180 E181F173-T177 WeakPolarHBondContact O-CB 3.48Å; F173-T177 PolarHBondContact O-N 3Å; F173-T177 PolarHBondContact O-OG1 3.39Å; T177-K179 VanDerWaalsContact C-N 3.32Å; T177-K179 PolarHBondContact O-N 3.05Å; T177-M180 PolarHBondContact O-N 3.42Å; T177-E181 PolarHBondContact O-N 2.8Å
178H81.7Confident81.2Confident40 Ų4088.2 Ų88.219%0.18546%0.456CS..Hα-helixtrans-59.9-39.4176-180-85.6000113.4K174 Y175 Q176 M180 E181 R192 F196K174-H178 WeakPolarHBondContact O-CB 3.38Å; K174-H178 PolarHBondContact O-N 3.36Å; Y175-H178 WeakPolarHBondContact O-CB 3.45Å; Y175-H178 PolarHBondContact O-N 3.48Å; Q176-H178 VanDerWaalsContact C-N 3.29Å; Q176-H178 PolarHBondContact O-N 3.01Å; H178-M180 PolarHBondContact O-N 3.02Å; H178-E181 PolarHBondContact O-N 3.29Å; H178-R192 PolarHBondContact CD2-NH1 2.88Å; H178-F196 HydrophobicContact CB-CE2 3.88Å; H178-F196 HydrophobicContact CB-CZ 3.69Å; H178-F196 AromaticContact CD2-CE2 3.84Å; H178-F196 AromaticContact CG-CE2 3.68Å
179K81.3Confident80.4Confident154 Ų15493.2 Ų93.267%0.6748%0.478SS*.Hα-helixtrans-66.3-27.6179.3-167.9-178.9177.1-175.50112.5Y175 Q176 T177Y175-K179 PolarHBondContact O-N 3.33Å; Q176-K179 WeakPolarHBondContact O-CB 3.48Å; Q176-K179 PolarHBondContact O-N 2.96Å; T177-K179 VanDerWaalsContact C-N 3.32Å; T177-K179 PolarHBondContact O-N 3.05Å
180M81.1Confident79.8Confident171 Ų17194.5 Ų94.584%0.84249%0.485SS*.Hα-helixtrans-83.2-24176.5-61.4-173.291.900112.9Q176 T177 H178Q176-M180 WeakPolarHBondContact O-CG 3.41Å; Q176-M180 PolarHBondContact O-N 3.17Å; Q176-M180 VanDerWaalsContact O-N 3.16Å; T177-M180 PolarHBondContact O-N 3.42Å; H178-M180 PolarHBondContact O-N 3.02Å
181E77.8Confident79.4Confident91 Ų9197.7 Ų97.743%0.42550%0.5SS..SBendtrans-79.1118.9176.2-70.9178.5-178.400111.5T177 H178 V183 R192T177-E181 PolarHBondContact O-N 2.8Å; H178-E181 PolarHBondContact O-N 3.29Å; E181-V183 HydrophobicContact CB-CG2 4.33Å; E181-V183 PolarHBondContact O-N 2.8Å; E181-R192 IonicContact OE2-CZ 3.21Å; E181-R192 IonicContact OE2-NH1 2.69Å; E181-R192 PolarHBondContact OE2-NH1 3.05Å; E181-R192 IonicContact OE2-NH2 2.79Å; E181-R192 PolarHBondContact OE2-NH2 3.36Å
182A60.6Low78.9Confident101 Ų10199.4 Ų99.484%0.83551%0.506SS*.  trans-77.288.7172.300000110.4
183V63Low78.6Confident39 Ų3999.8 Ų99.824%0.23651%0.507CS..  trans-85.4116.4177.3-172.30000110.2E181 Q188E181-V183 HydrophobicContact CB-CG2 4.33Å; E181-V183 PolarHBondContact O-N 2.8Å; V183-Q188 HydrophobicContact CG1-CB 4.25Å
184T59.1Low78.5Confident148 Ų148100.1 Ų100.191%0.90851%0.508SS*.  trans-94.3-12.8178.846.10000114.3
185D75.3Confident78.5Confident87 Ų87100.4 Ų100.447%0.46551%0.512SS..  trans-92.1122.1-179.8-171.7-15.7000112.1A187 Q188 K189D185-A187 PolarHBondContact OD1-N 3.5Å; D185-Q188 HydrophobicContact CB-CB 4.05Å; D185-K189 WeakPolarHBondContact O-CB 3.07Å; D185-K189 PolarHBondContact O-N 3Å; D185-K189 VanDerWaalsContact O-N 3.08Å
186E72.7Confident78.5Confident158 Ų15896.2 Ų96.274%0.73850%0.495SS*.Hα-helixtrans-66-34.4-179.5-117.2-175.1176.200113.4N190E186-N190 PolarHBondContact O-N 3.32Å; E186-N190 VanDerWaalsContact O-N 3.11Å
187A76.3Confident78.6Confident63 Ų6397.4 Ų97.452%0.52150%0.501SS..Hα-helixtrans-69.4-44179.200000110.8D185 K189 N190 E191D185-A187 PolarHBondContact OD1-N 3.5Å; A187-K189 VanDerWaalsContact C-N 3.32Å; A187-K189 PolarHBondContact O-N 2.79Å; A187-N190 PolarHBondContact O-N 3.13Å; A187-E191 PolarHBondContact O-N 3.22Å; A187-E191 VanDerWaalsContact O-N 3.12Å
188Q76.4Confident78.7Confident92 Ų9297.7 Ų97.743%0.4351%0.505SS..Hα-helixtrans-66.2-35.7177.8-158.8176.325.500111.8V183 D185 R192V183-Q188 HydrophobicContact CG1-CB 4.25Å; D185-Q188 HydrophobicContact CB-CB 4.05Å; Q188-R192 WeakPolarHBondContact O-CB 3.44Å; Q188-R192 WeakPolarHBondContact O-CD 3.24Å; Q188-R192 VanDerWaalsContact O-CG 3.25Å; Q188-R192 WeakPolarHBondContact O-CG 3.36Å; Q188-R192 PolarHBondContact O-N 3.33Å; Q188-R192 VanDerWaalsContact O-N 3.15Å
189K77.1Confident79.1Confident109 Ų10997 Ų9747%0.47450%0.503SS..Hα-helixtrans-63.4-43.5173.4-171.5179.1178.7-178.20112.1D185 A187 R192 I193D185-K189 WeakPolarHBondContact O-CB 3.07Å; D185-K189 PolarHBondContact O-N 3Å; D185-K189 VanDerWaalsContact O-N 3.08Å; A187-K189 VanDerWaalsContact C-N 3.32Å; A187-K189 PolarHBondContact O-N 2.79Å; K189-R192 PolarHBondContact O-N 3.5Å; K189-I193 HydrophobicContact CG-CD1 4.18Å; K189-I193 VanDerWaalsContact O-CG1 3.3Å; K189-I193 WeakPolarHBondContact O-CG1 3.28Å; K189-I193 PolarHBondContact O-N 3.43Å
190N80.9Confident79.5Confident95 Ų9591.3 Ų91.351%0.50848%0.481SS..Hα-helixtrans-67.4-38.7179.2-80.9-24.4000113.2E186 A187 K194E186-N190 PolarHBondContact O-N 3.32Å; E186-N190 VanDerWaalsContact O-N 3.11Å; A187-N190 PolarHBondContact O-N 3.13Å; N190-K194 WeakPolarHBondContact O-CG 3.21Å; N190-K194 PolarHBondContact O-N 2.62Å; N190-K194 VanDerWaalsContact O-N 3.14Å
191E82.1Confident80Confident144 Ų14487.1 Ų87.167%0.67346%0.462SS*.Hα-helixtrans-64-42.2173.6-77.7-171.3156.900112.3A187 K194 M195A187-E191 PolarHBondContact O-N 3.22Å; A187-E191 VanDerWaalsContact O-N 3.12Å; E191-K194 PolarHBondContact O-N 3.07Å; E191-M195 PolarHBondContact O-N 3.22Å
192R80.6Confident80.6Confident57 Ų5788.2 Ų88.222%0.21547%0.465CS..Hα-helixtrans-64.5-40.7177.6-72.5168.8164.7-141.2-1.1112H178 E181 Q188 K189 K194 M195 F196H178-R192 PolarHBondContact CD2-NH1 2.88Å; E181-R192 IonicContact OE2-CZ 3.21Å; E181-R192 IonicContact OE2-NH1 2.69Å; E181-R192 PolarHBondContact OE2-NH1 3.05Å; E181-R192 IonicContact OE2-NH2 2.79Å; E181-R192 PolarHBondContact OE2-NH2 3.36Å; Q188-R192 WeakPolarHBondContact O-CB 3.44Å; Q188-R192 WeakPolarHBondContact O-CD 3.24Å; Q188-R192 VanDerWaalsContact O-CG 3.25Å; Q188-R192 WeakPolarHBondContact O-CG 3.36Å; Q188-R192 PolarHBondContact O-N 3.33Å; Q188-R192 VanDerWaalsContact O-N 3.15Å; K189-R192 PolarHBondContact O-N 3.5Å; R192-K194 PolarHBondContact O-N 2.95Å; R192-M195 WeakPolarHBondContact O-CB 3.41Å; R192-M195 PolarHBondContact O-N 3.02Å; R192-F196 HydrophobicContact CB-CE2 4.48Å; R192-F196 WeakPolarHBondContact O-CD2 3.21Å; R192-F196 PolarHBondContact O-N 3.43Å
193I84.2Confident82.1Confident85 Ų8583.6 Ų83.644%0.43643%0.426SS..Hα-helixtrans-60.6-43.4173.8-69.6166.3000111.2K189 M195 F196 Q197K189-I193 HydrophobicContact CG-CD1 4.18Å; K189-I193 VanDerWaalsContact O-CG1 3.3Å; K189-I193 WeakPolarHBondContact O-CG1 3.28Å; K189-I193 PolarHBondContact O-N 3.43Å; I193-M195 VanDerWaalsContact C-N 3.32Å; I193-M195 PolarHBondContact O-N 2.82Å; I193-F196 PolarHBondContact O-N 3.35Å; I193-Q197 WeakPolarHBondContact O-CB 3.4Å; I193-Q197 PolarHBondContact O-N 3.32Å
194K87.1Confident83.5Confident155 Ų15583.1 Ų83.167%0.67442%0.422SS*.Hα-helixtrans-61.8-39.3175.6-73.4176.8-178.9175.80112.2N190 E191 R192 Q197 S198N190-K194 WeakPolarHBondContact O-CG 3.21Å; N190-K194 PolarHBondContact O-N 2.62Å; N190-K194 VanDerWaalsContact O-N 3.14Å; E191-K194 PolarHBondContact O-N 3.07Å; R192-K194 PolarHBondContact O-N 2.95Å; K194-Q197 PolarHBondContact O-N 3.07Å; K194-S198 PolarHBondContact O-N 3.17Å
195M88.8Confident85.1Confident81 Ų8181.1 Ų81.140%0.39940%0.403SS..Hα-helixtrans-63.5-47.8176.2-178.1-94.8-7400111.7E191 R192 I193 Q197 S198 L199E191-M195 PolarHBondContact O-N 3.22Å; R192-M195 WeakPolarHBondContact O-CB 3.41Å; R192-M195 PolarHBondContact O-N 3.02Å; I193-M195 VanDerWaalsContact C-N 3.32Å; I193-M195 PolarHBondContact O-N 2.82Å; M195-Q197 PolarHBondContact O-N 2.84Å; M195-S198 WeakPolarHBondContact O-CB 3.5Å; M195-S198 PolarHBondContact O-N 3.17Å; M195-L199 PolarHBondContact O-N 2.89Å; M195-L199 HydrophobicContact SD-CD1 3.61Å; M195-L199 HydrophobicContact SD-CG 4.32Å
196F88.1Confident85.9Confident19 Ų1982.9 Ų82.98%0.08340%0.404CS..Hα-helixtrans-62.2-40.7175.5-71.2-57000112.6F171 K174 Y175 H178 R192 I193 S198 L199 V200F171-F196 HydrophobicContact CD2-CD1 4.21Å; F171-F196 HydrophobicContact CE2-CB 4.17Å; F171-F196 AromaticContact CE2-CD1 3.73Å; F171-F196 HydrophobicContact CE2-CD1 3.73Å; F171-F196 HydrophobicContact CE2-CG 4.38Å; F171-F196 HydrophobicContact CZ-CD1 4.4Å; K174-F196 HydrophobicContact CB-CE1 3.86Å; K174-F196 HydrophobicContact CB-CZ 4.47Å; K174-F196 WeakPolarHBondContact O-CZ 3.44Å; Y175-F196 HydrophobicContact CD2-CD1 4.39Å; Y175-F196 HydrophobicContact CD2-CE1 4.36Å; Y175-F196 HydrophobicContact CD2-CZ 4.48Å; H178-F196 HydrophobicContact CB-CE2 3.88Å; H178-F196 HydrophobicContact CB-CZ 3.69Å; H178-F196 AromaticContact CD2-CE2 3.84Å; H178-F196 AromaticContact CG-CE2 3.68Å; R192-F196 HydrophobicContact CB-CE2 4.48Å; R192-F196 WeakPolarHBondContact O-CD2 3.21Å; R192-F196 PolarHBondContact O-N 3.43Å; I193-F196 PolarHBondContact O-N 3.35Å; F196-S198 VanDerWaalsContact C-N 3.29Å; F196-S198 PolarHBondContact O-N 3.14Å; F196-L199 HydrophobicContact CD1-CD1 4.44Å; F196-L199 PolarHBondContact O-N 3.31Å; F196-V200 WeakPolarHBondContact O-CG2 3.26Å; F196-V200 PolarHBondContact O-N 3.49Å
197Q89.2Confident87Confident106 Ų10675.3 Ų75.350%0.49537%0.369SS..Hα-helixtrans-60.5-40.3175.2-169.266.54600111.5I193 K194 M195 N201I193-Q197 WeakPolarHBondContact O-CB 3.4Å; I193-Q197 PolarHBondContact O-N 3.32Å; K194-Q197 PolarHBondContact O-N 3.07Å; M195-Q197 PolarHBondContact O-N 2.84Å; Q197-N201 PolarHBondContact NE2-OD1 2.76Å; Q197-N201 WeakPolarHBondContact O-CB 3.13Å; Q197-N201 PolarHBondContact O-N 3.42Å; Q197-N201 PolarHBondContact O-ND2 3.12Å; Q197-N201 PolarHBondContact O-OD1 3.3Å
198S90Very high87.8Confident56 Ų5676.5 Ų76.539%0.39236%0.362SS..Hα-helixtrans-62.9-42.6175.3-176.30000112.1K194 M195 F196 N201 K202K194-S198 PolarHBondContact O-N 3.17Å; M195-S198 WeakPolarHBondContact O-CB 3.5Å; M195-S198 PolarHBondContact O-N 3.17Å; F196-S198 VanDerWaalsContact C-N 3.29Å; F196-S198 PolarHBondContact O-N 3.14Å; S198-N201 PolarHBondContact O-N 2.97Å; S198-K202 WeakPolarHBondContact O-CG 3.3Å; S198-K202 PolarHBondContact O-N 3.24Å
199L89.5Confident88.7Confident26 Ų2675 Ų7514%0.13636%0.362CS..Hα-helixtrans-64.2-47.5177.7-68.1176.1000111.9F171 K174 M195 F196 N201 K202 L203F171-L199 HydrophobicContact CD2-CB 3.76Å; F171-L199 HydrophobicContact CD2-CD1 4.14Å; F171-L199 HydrophobicContact CE2-CB 4.39Å; K174-L199 HydrophobicContact CD-CD1 4.09Å; M195-L199 PolarHBondContact O-N 2.89Å; M195-L199 HydrophobicContact SD-CD1 3.61Å; M195-L199 HydrophobicContact SD-CG 4.32Å; F196-L199 HydrophobicContact CD1-CD1 4.44Å; F196-L199 PolarHBondContact O-N 3.31Å; L199-N201 VanDerWaalsContact C-N 3.32Å; L199-N201 PolarHBondContact O-N 3.07Å; L199-K202 WeakPolarHBondContact O-CB 3.43Å; L199-K202 PolarHBondContact O-N 2.82Å; L199-L203 WeakPolarHBondContact O-CB 3.26Å; L199-L203 PolarHBondContact O-N 2.86Å
200V90.4Very high89.5Confident35 Ų3570 Ų7021%0.21234%0.34CS..Hα-helixtrans-61-41.2176.7174.40000111.3F171 F196 K202 L203 N204F171-V200 HydrophobicContact CD2-CG2 4.16Å; F171-V200 HydrophobicContact CE2-CG2 3.43Å; F171-V200 VanDerWaalsContact CE2-CG2 3.43Å; F171-V200 HydrophobicContact CZ-CG2 3.68Å; F196-V200 WeakPolarHBondContact O-CG2 3.26Å; F196-V200 PolarHBondContact O-N 3.49Å; V200-K202 PolarHBondContact O-N 3Å; V200-L203 PolarHBondContact O-N 2.91Å; V200-N204 WeakPolarHBondContact O-CB 3.46Å; V200-N204 PolarHBondContact O-N 2.65Å
201N91.5Very high90.2Very high82 Ų8265.5 Ų65.544%0.43932%0.316SS..Hα-helixtrans-62.7-43.2177-71.9-8000111.6Q197 S198 L199 N204 E205Q197-N201 PolarHBondContact NE2-OD1 2.76Å; Q197-N201 WeakPolarHBondContact O-CB 3.13Å; Q197-N201 PolarHBondContact O-N 3.42Å; Q197-N201 PolarHBondContact O-ND2 3.12Å; Q197-N201 PolarHBondContact O-OD1 3.3Å; S198-N201 PolarHBondContact O-N 2.97Å; L199-N201 VanDerWaalsContact C-N 3.32Å; L199-N201 PolarHBondContact O-N 3.07Å; N201-N204 PolarHBondContact O-N 2.76Å; N201-E205 WeakPolarHBondContact O-CG 3.37Å; N201-E205 PolarHBondContact O-N 3.12Å
202K90.8Very high90.8Very high114 Ų11460.6 Ų60.650%0.49630%0.301SS..Hα-helixtrans-60.7-46.7174.3-74.6176179.2-177.50111.3S198 L199 V200 N204 E205 Y206S198-K202 WeakPolarHBondContact O-CG 3.3Å; S198-K202 PolarHBondContact O-N 3.24Å; L199-K202 WeakPolarHBondContact O-CB 3.43Å; L199-K202 PolarHBondContact O-N 2.82Å; V200-K202 PolarHBondContact O-N 3Å; K202-N204 VanDerWaalsContact C-N 3.3Å; K202-N204 PolarHBondContact O-N 3.08Å; K202-E205 PolarHBondContact O-N 3.3Å; K202-E205 VanDerWaalsContact O-N 3.16Å; K202-Y206 WeakPolarHBondContact O-CD2 3.5Å; K202-Y206 PolarHBondContact O-N 2.86Å
203L91.4Very high91.4Very high5 Ų560.7 Ų60.73%0.02631%0.305CS..Hα-helixtrans-59.1-43.1179.1-140.7161.5000110.9L164 Q168 F171 L199 V200 E205 Y206 R207 M284L164-L203 HydrophobicContact CD1-CD2 3.8Å; Q168-L203 HydrophobicContact CB-CD1 4.01Å; Q168-L203 HydrophobicContact CB-CD2 4.43Å; Q168-L203 HydrophobicContact CG-CD1 4.17Å; F171-L203 HydrophobicContact CB-CD1 4.33Å; L199-L203 WeakPolarHBondContact O-CB 3.26Å; L199-L203 PolarHBondContact O-N 2.86Å; V200-L203 PolarHBondContact O-N 2.91Å; L203-E205 PolarHBondContact O-N 3.27Å; L203-Y206 PolarHBondContact O-N 2.82Å; L203-R207 HydrophobicContact CD2-CG 4.18Å; L203-R207 WeakPolarHBondContact O-CG 3.44Å; L203-R207 PolarHBondContact O-N 2.9Å; L203-M284 HydrophobicContact CD1-CE 4.08Å; L203-M284 HydrophobicContact CD1-SD 4.16Å
204N92.4Very high91.9Very high28 Ų2856.7 Ų56.715%0.1529%0.285CS..Hα-helixtrans-61.9-42.1175.2-17860.6000113V200 N201 K202 R207 K208 Y286 P290V200-N204 WeakPolarHBondContact O-CB 3.46Å; V200-N204 PolarHBondContact O-N 2.65Å; N201-N204 PolarHBondContact O-N 2.76Å; K202-N204 VanDerWaalsContact C-N 3.3Å; K202-N204 PolarHBondContact O-N 3.08Å; N204-R207 PolarHBondContact O-N 3.3Å; N204-K208 VanDerWaalsContact ND2-CE 3.35Å; N204-K208 WeakPolarHBondContact ND2-CE 3.33Å; N204-K208 PolarHBondContact ND2-NZ 2.77Å; N204-K208 WeakPolarHBondContact O-CG 3.44Å; N204-K208 PolarHBondContact O-N 3.23Å; N204-Y286 WeakPolarHBondContact CA-OH 3.46Å; N204-Y286 HydrophobicContact CB-CE2 4.49Å; N204-Y286 WeakPolarHBondContact CB-OH 3.47Å; N204-Y286 WeakPolarHBondContact OD1-CE2 3.39Å; N204-Y286 PolarHBondContact OD1-OH 3.29Å; N204-P290 WeakPolarHBondContact OD1-CD 3.4Å
205E92.9Very high92.3Very high107 Ų10751.7 Ų51.750%0.527%0.265SS..Hα-helixtrans-65.9-39.3175.4-68.3-53.712500112N201 K202 L203 K208 S209N201-E205 WeakPolarHBondContact O-CG 3.37Å; N201-E205 PolarHBondContact O-N 3.12Å; K202-E205 PolarHBondContact O-N 3.3Å; K202-E205 VanDerWaalsContact O-N 3.16Å; L203-E205 PolarHBondContact O-N 3.27Å; E205-K208 PolarHBondContact O-N 2.82Å; E205-K208 IonicContact OE1-NZ 3.72Å; E205-K208 PolarHBondContact OE1-NZ 3.15Å; E205-S209 WeakPolarHBondContact O-CB 3.28Å; E205-S209 PolarHBondContact O-N 2.91Å
206Y92.2Very high92.6Very high123 Ų12353.1 Ų53.148%0.48227%0.269SS..Hα-helixtrans-62.2-43.2172.3-81.9-69.2000112.5K202 L203 K208 S209 T210K202-Y206 WeakPolarHBondContact O-CD2 3.5Å; K202-Y206 PolarHBondContact O-N 2.86Å; L203-Y206 PolarHBondContact O-N 2.82Å; Y206-K208 PolarHBondContact O-N 3.15Å; Y206-S209 PolarHBondContact O-N 2.87Å; Y206-T210 WeakPolarHBondContact O-CB 3.37Å; Y206-T210 PolarHBondContact O-N 2.95Å; Y206-T210 PolarHBondContact O-OG1 2.64Å
207R94.4Very high93Very high0 Ų052.4 Ų52.40%027%0.266CS..Hα-helixtrans-59.4-45.8175-71.1-179173.3-162.52.3111.3L164 L203 N204 T210 L211 L280 M284 D289 P290 I291L164-R207 HydrophobicContact CD1-CG 3.84Å; L164-R207 HydrophobicContact CD2-CG 4.15Å; L203-R207 HydrophobicContact CD2-CG 4.18Å; L203-R207 WeakPolarHBondContact O-CG 3.44Å; L203-R207 PolarHBondContact O-N 2.9Å; N204-R207 PolarHBondContact O-N 3.3Å; R207-T210 PolarHBondContact O-N 3.12Å; R207-L211 WeakPolarHBondContact O-CD1 3.46Å; R207-L211 VanDerWaalsContact O-CG 3.24Å; R207-L211 WeakPolarHBondContact O-CG 3.45Å; R207-L211 PolarHBondContact O-N 3.5Å; R207-L280 PolarHBondContact NH2-O 3.47Å; R207-M284 PolarHBondContact NH1-O 3.05Å; R207-M284 PolarHBondContact NH2-O 2.7Å; R207-D289 IonicContact CZ-OD2 2.54Å; R207-D289 IonicContact NH1-OD1 2.76Å; R207-D289 PolarHBondContact NH1-OD1 2.89Å; R207-D289 VanDerWaalsContact NH1-OD1 3.07Å; R207-D289 IonicContact NH1-OD2 2.8Å; R207-D289 PolarHBondContact NH1-OD2 3.22Å; R207-P290 HydrophobicContact CB-CG 3.84Å; R207-I291 HydrophobicContact CB-CD1 4.37Å; R207-I291 HydrophobicContact CB-CG1 4.2Å; R207-I291 HydrophobicContact CG-CD1 3.8Å; R207-I291 HydrophobicContact CG-CG1 4.17Å
208K94.1Very high93.4Very high87 Ų8747.3 Ų47.338%0.37824%0.243SC..Hα-helixtrans-61.7-45.2175.8-71.4176.3-171.7165.60112.3N204 E205 Y206 L211 A212 P290N204-K208 VanDerWaalsContact ND2-CE 3.35Å; N204-K208 WeakPolarHBondContact ND2-CE 3.33Å; N204-K208 PolarHBondContact ND2-NZ 2.77Å; N204-K208 WeakPolarHBondContact O-CG 3.44Å; N204-K208 PolarHBondContact O-N 3.23Å; E205-K208 PolarHBondContact O-N 2.82Å; E205-K208 IonicContact OE1-NZ 3.72Å; E205-K208 PolarHBondContact OE1-NZ 3.15Å; Y206-K208 PolarHBondContact O-N 3.15Å; K208-L211 PolarHBondContact O-N 2.64Å; K208-A212 WeakPolarHBondContact O-CB 3.37Å; K208-A212 PolarHBondContact O-N 2.85Å; K208-P290 HydrophobicContact CG-CB 4.05Å; K208-P290 HydrophobicContact CG-CG 3.95Å
209S94.6Very high93.7Very high61 Ų6148.1 Ų48.143%0.42724%0.243SC..Hα-helixtrans-60.9-47.4178.6-167.90000111.2E205 Y206 L211 A212 D213E205-S209 WeakPolarHBondContact O-CB 3.28Å; E205-S209 PolarHBondContact O-N 2.91Å; Y206-S209 PolarHBondContact O-N 2.87Å; S209-L211 VanDerWaalsContact C-N 3.32Å; S209-L211 PolarHBondContact O-N 3.43Å; S209-A212 WeakPolarHBondContact O-CB 3.47Å; S209-A212 PolarHBondContact O-N 3.35Å; S209-A212 VanDerWaalsContact O-N 3.1Å; S209-D213 PolarHBondContact O-N 3.35Å
210T94.4Very high93.9Very high4 Ų452.8 Ų52.83%0.02526%0.258CS..Hα-helixtrans-58.7-43.2178.7-54.30000111.5L157 I161 Y206 R207 D213 L214L157-T210 HydrophobicContact CD1-CG2 3.79Å; I161-T210 HydrophobicContact CD1-CG2 4.46Å; I161-T210 HydrophobicContact CG1-CG2 3.85Å; Y206-T210 WeakPolarHBondContact O-CB 3.37Å; Y206-T210 PolarHBondContact O-N 2.95Å; Y206-T210 PolarHBondContact O-OG1 2.64Å; R207-T210 PolarHBondContact O-N 3.12Å; T210-D213 PolarHBondContact O-N 2.95Å; T210-L214 HydrophobicContact CG2-CD1 4.49Å; T210-L214 WeakPolarHBondContact O-CB 3.4Å; T210-L214 WeakPolarHBondContact O-CG 3.39Å; T210-L214 PolarHBondContact O-N 3.29Å
211L94.9Very high94.2Very high0 Ų051.2 Ų51.20%025%0.249CC..Hα-helixtrans-68.1-34.7176.6-68165.2000112.7R207 K208 S209 L214 N215 L277 P290 I291 Q294 L298R207-L211 WeakPolarHBondContact O-CD1 3.46Å; R207-L211 VanDerWaalsContact O-CG 3.24Å; R207-L211 WeakPolarHBondContact O-CG 3.45Å; R207-L211 PolarHBondContact O-N 3.5Å; K208-L211 PolarHBondContact O-N 2.64Å; S209-L211 VanDerWaalsContact C-N 3.32Å; S209-L211 PolarHBondContact O-N 3.43Å; L211-L214 HydrophobicContact CD2-CD1 4.27Å; L211-N215 PolarHBondContact O-N 3.39Å; L211-N215 VanDerWaalsContact O-N 3.12Å; L211-N215 PolarHBondContact O-ND2 3.26Å; L211-L277 HydrophobicContact CD2-CD1 4.25Å; L211-P290 VanDerWaalsContact CD1-C 3.48Å; L211-P290 HydrophobicContact CD1-CB 3.72Å; L211-P290 HydrophobicContact CD1-CG 4.19Å; L211-P290 WeakPolarHBondContact CD1-O 3.41Å; L211-I291 HydrophobicContact CD1-CG1 4.25Å; L211-Q294 HydrophobicContact CD1-CB 4.4Å; L211-L298 HydrophobicContact CD2-CD1 3.55Å
212A94.9Very high94.4Very high42 Ų4250.8 Ų50.835%0.34724%0.244SC..Hα-helixtrans-67.3-41174.500000111.4K208 S209 N215 K216K208-A212 WeakPolarHBondContact O-CB 3.37Å; K208-A212 PolarHBondContact O-N 2.85Å; S209-A212 WeakPolarHBondContact O-CB 3.47Å; S209-A212 PolarHBondContact O-N 3.35Å; S209-A212 VanDerWaalsContact O-N 3.1Å; A212-N215 PolarHBondContact O-N 2.94Å; A212-K216 WeakPolarHBondContact O-CG 3.47Å; A212-K216 PolarHBondContact O-N 3.45Å; A212-K216 VanDerWaalsContact O-N 3.12Å
213D93.9Very high94.6Very high59 Ų5950.8 Ų50.832%0.31625%0.249SC..Hα-helixtrans-70.8-36.1178-65.1-30.4000111.9L157 S209 T210 N215 K216 L217L157-D213 HydrophobicContact CD1-CB 4.22Å; S209-D213 PolarHBondContact O-N 3.35Å; T210-D213 PolarHBondContact O-N 2.95Å; D213-N215 VanDerWaalsContact C-N 3.34Å; D213-N215 PolarHBondContact O-N 3.09Å; D213-K216 PolarHBondContact O-N 3.06Å; D213-K216 IonicContact OD1-NZ 3.95Å; D213-K216 PolarHBondContact OD1-NZ 3.37Å; D213-L217 WeakPolarHBondContact O-CB 3.49Å; D213-L217 PolarHBondContact O-N 3.15Å
214L95.4Very high94.7Very high1 Ų150.9 Ų50.91%0.00525%0.25CC..Hα-helixtrans-55.3-45.7167.5-87.9164.8000112.4L157 T210 L211 L217 L218 V270 L274 L277 L298L157-L214 HydrophobicContact CD1-CG 4.29Å; L157-L214 HydrophobicContact CD2-CD2 3.42Å; L157-L214 VanDerWaalsContact CD2-CD2 3.42Å; L157-L214 HydrophobicContact CD2-CG 3.62Å; T210-L214 HydrophobicContact CG2-CD1 4.49Å; T210-L214 WeakPolarHBondContact O-CB 3.4Å; T210-L214 WeakPolarHBondContact O-CG 3.39Å; T210-L214 PolarHBondContact O-N 3.29Å; L211-L214 HydrophobicContact CD2-CD1 4.27Å; L214-L217 PolarHBondContact O-N 2.92Å; L214-L218 WeakPolarHBondContact O-CG 3.44Å; L214-L218 PolarHBondContact O-N 3.33Å; L214-V270 HydrophobicContact CD2-CG1 3.74Å; L214-L274 HydrophobicContact CD1-CD2 4.02Å; L214-L277 HydrophobicContact CD1-CD1 3.67Å; L214-L298 HydrophobicContact CB-CD1 4.43Å; L214-L298 HydrophobicContact CD1-CD1 4.44Å
215N95.3Very high94.8Very high49 Ų4949.6 Ų49.626%0.26224%0.243SC..Hα-helixtrans-62.5-47.2177.6-84.6-68.4000111.9L211 A212 D213 L217 L218 D219 L298L211-N215 PolarHBondContact O-N 3.39Å; L211-N215 VanDerWaalsContact O-N 3.12Å; L211-N215 PolarHBondContact O-ND2 3.26Å; A212-N215 PolarHBondContact O-N 2.94Å; D213-N215 VanDerWaalsContact C-N 3.34Å; D213-N215 PolarHBondContact O-N 3.09Å; N215-L217 PolarHBondContact O-N 3.12Å; N215-L218 PolarHBondContact O-N 2.57Å; N215-L218 VanDerWaalsContact O-N 3.14Å; N215-D219 VanDerWaalsContact O-CG 3.23Å; N215-D219 PolarHBondContact O-N 2.81Å; N215-L298 VanDerWaalsContact OD1-CD2 3.26Å; N215-L298 WeakPolarHBondContact OD1-CD2 3.09Å
216K94.9Very high94.9Very high111 Ų11146.6 Ų46.648%0.48323%0.23SC..Hα-helixtrans-59.2-38.4177.6-67.1172.3-163.8155.60112A212 D213 D219 R220A212-K216 WeakPolarHBondContact O-CG 3.47Å; A212-K216 PolarHBondContact O-N 3.45Å; A212-K216 VanDerWaalsContact O-N 3.12Å; D213-K216 PolarHBondContact O-N 3.06Å; D213-K216 IonicContact OD1-NZ 3.95Å; D213-K216 PolarHBondContact OD1-NZ 3.37Å; K216-D219 PolarHBondContact O-N 2.94Å; K216-R220 WeakPolarHBondContact O-CG 3.48Å; K216-R220 PolarHBondContact O-N 2.89Å; K216-R220 VanDerWaalsContact O-N 3.07Å
217L95.8Very high94.9Very high4 Ų442.9 Ų42.92%0.02122%0.219CC..Hα-helixtrans-65.2-44.4177.2-169.4162.8000110.8L150 D153 V154 L157 D213 L214 N215 D219 R220 A221 V270L150-L217 HydrophobicContact CD1-CD2 3.94Å; L150-L217 HydrophobicContact CD1-CG 4.05Å; D153-L217 HydrophobicContact CB-CD1 4.28Å; D153-L217 HydrophobicContact CB-CG 4.49Å; V154-L217 HydrophobicContact CB-CD1 4.41Å; V154-L217 HydrophobicContact CG2-CD1 3.69Å; V154-L217 HydrophobicContact CG2-CD2 4.3Å; V154-L217 HydrophobicContact CG2-CG 4.35Å; L157-L217 HydrophobicContact CD2-CD1 3.89Å; D213-L217 WeakPolarHBondContact O-CB 3.49Å; D213-L217 PolarHBondContact O-N 3.15Å; L214-L217 PolarHBondContact O-N 2.92Å; N215-L217 PolarHBondContact O-N 3.12Å; L217-D219 VanDerWaalsContact C-N 3.35Å; L217-D219 PolarHBondContact O-N 3.46Å; L217-R220 PolarHBondContact O-N 3.24Å; L217-A221 WeakPolarHBondContact O-CB 3.38Å; L217-A221 PolarHBondContact O-N 2.95Å; L217-V270 HydrophobicContact CD1-CG2 4.23Å; L217-V270 HydrophobicContact CD2-CG2 3.51Å
218L96.8Very high94.9Very high0 Ų042.9 Ų42.90%022%0.219CC..Hα-helixtrans-63.9-37.6175.1-68.2175.6000112.5L214 N215 A221 E222 L267 V270 L298 R301 T302 L305L214-L218 WeakPolarHBondContact O-CG 3.44Å; L214-L218 PolarHBondContact O-N 3.33Å; N215-L218 PolarHBondContact O-N 2.57Å; N215-L218 VanDerWaalsContact O-N 3.14Å; L218-A221 PolarHBondContact O-N 3.3Å; L218-E222 WeakPolarHBondContact O-CB 3.48Å; L218-E222 PolarHBondContact O-N 3.45Å; L218-L267 HydrophobicContact CD2-CD2 3.99Å; L218-V270 HydrophobicContact CD2-CG1 4.16Å; L218-L298 HydrophobicContact CD1-CD2 3.7Å; L218-R301 HydrophobicContact CD1-CB 4.41Å; L218-R301 HydrophobicContact CD1-CG 4.29Å; L218-T302 HydrophobicContact CD2-CG2 4.45Å; L218-L305 HydrophobicContact CB-CD1 4.45Å; L218-L305 HydrophobicContact CD2-CD1 4.09Å
219D96.3Very high94.8Very high73 Ų7339.9 Ų39.939%0.3921%0.208SC..Hα-helixtrans-59.5-48.8173.8-61-28.5000110.7N215 K216 L217 A221 E222 D223 R301N215-D219 VanDerWaalsContact O-CG 3.23Å; N215-D219 PolarHBondContact O-N 2.81Å; K216-D219 PolarHBondContact O-N 2.94Å; L217-D219 VanDerWaalsContact C-N 3.35Å; L217-D219 PolarHBondContact O-N 3.46Å; D219-A221 VanDerWaalsContact C-N 3.34Å; D219-A221 PolarHBondContact O-N 3.32Å; D219-E222 PolarHBondContact O-N 3.27Å; D219-D223 PolarHBondContact O-N 3.4Å; D219-R301 IonicContact OD1-CZ 3.68Å; D219-R301 IonicContact OD1-NH1 2.82Å; D219-R301 PolarHBondContact OD1-NH1 2.87Å; D219-R301 IonicContact OD1-NH2 3.47Å; D219-R301 PolarHBondContact OD1-NH2 2.94Å
220R95.1Very high94.7Very high124 Ų12445.7 Ų45.747%0.46822%0.22SC..Hα-helixtrans-63.3-39.1177.2-70.3178.2-176.4-170.43.6112.6L150 D153 K216 L217 L224L150-R220 HydrophobicContact CD1-CB 4.35Å; D153-R220 IonicContact OD1-NH1 3.51Å; D153-R220 PolarHBondContact OD1-NH1 3Å; D153-R220 WeakPolarHBondContact OD2-CD 3.44Å; D153-R220 IonicContact OD2-CZ 3.94Å; D153-R220 IonicContact OD2-NE 2.82Å; D153-R220 IonicContact OD2-NH1 2.77Å; D153-R220 PolarHBondContact OD2-NH1 3.37Å; K216-R220 WeakPolarHBondContact O-CG 3.48Å; K216-R220 PolarHBondContact O-N 2.89Å; K216-R220 VanDerWaalsContact O-N 3.07Å; L217-R220 PolarHBondContact O-N 3.24Å; R220-L224 WeakPolarHBondContact O-CB 3.49Å; R220-L224 PolarHBondContact O-N 3.35Å; R220-L224 VanDerWaalsContact O-N 3.09Å
221A95.8Very high94.5Very high1 Ų149.7 Ų49.71%0.00824%0.237CC..Hα-helixtrans-65.5-40.7177.300000111.3L150 L217 L218 D219 L224 I225 L267L150-A221 HydrophobicContact CD1-CB 4.3Å; L150-A221 HydrophobicContact CD2-CB 4.49Å; L217-A221 WeakPolarHBondContact O-CB 3.38Å; L217-A221 PolarHBondContact O-N 2.95Å; L218-A221 PolarHBondContact O-N 3.3Å; D219-A221 VanDerWaalsContact C-N 3.34Å; D219-A221 PolarHBondContact O-N 3.32Å; A221-L224 PolarHBondContact O-N 3.4Å; A221-I225 VanDerWaalsContact O-CG1 3.24Å; A221-I225 WeakPolarHBondContact O-CG1 3.3Å; A221-I225 PolarHBondContact O-N 2.92Å; A221-L267 HydrophobicContact CB-CD2 4.03Å
222E96.3Very high94.4Very high74 Ų7450.6 Ų50.635%0.34624%0.241SC..Hα-helixtrans-63.1-44.8176-177.4169-172.400112L218 D219 L224 I225 N226 R301 L305L218-E222 WeakPolarHBondContact O-CB 3.48Å; L218-E222 PolarHBondContact O-N 3.45Å; D219-E222 PolarHBondContact O-N 3.27Å; E222-L224 VanDerWaalsContact C-N 3.31Å; E222-L224 PolarHBondContact O-N 2.97Å; E222-I225 PolarHBondContact O-N 3.47Å; E222-N226 WeakPolarHBondContact O-CB 3.47Å; E222-N226 PolarHBondContact O-N 3.03Å; E222-N226 PolarHBondContact O-ND2 3.04Å; E222-N226 VanDerWaalsContact O-ND2 3.08Å; E222-R301 IonicContact OE2-CZ 3.04Å; E222-R301 IonicContact OE2-NE 3.83Å; E222-R301 IonicContact OE2-NH2 2.83Å; E222-R301 PolarHBondContact OE2-NH2 3.32Å; E222-L305 HydrophobicContact CB-CD1 4.25Å; E222-L305 HydrophobicContact CB-CD2 3.82Å; E222-L305 HydrophobicContact CG-CD2 3.86Å
223D94.1Very high94.3Very high113 Ų11349 Ų4960%0.60423%0.227SC*.Hα-helixtrans-59.2-42.9174.7-72.9-21.8000111.9D219 N226 L227D219-D223 PolarHBondContact O-N 3.4Å; D223-N226 PolarHBondContact O-N 2.95Å; D223-L227 PolarHBondContact O-N 2.96Å
224L94.3Very high94.3Very high7 Ų749.4 Ų49.44%0.03723%0.231CC..Hα-helixtrans-66.3-42.8176.7-83.3170.9000112.5L143 K146 M147 L150 R220 A221 E222 N226 L227 L228L143-L224 HydrophobicContact CD1-CD2 3.68Å; K146-L224 HydrophobicContact CB-CD1 4.47Å; K146-L224 HydrophobicContact CB-CD2 3.73Å; K146-L224 HydrophobicContact CB-CG 4.44Å; K146-L224 HydrophobicContact CD-CD2 4.32Å; M147-L224 HydrophobicContact CG-CD2 4.48Å; L150-L224 HydrophobicContact CB-CD1 4.07Å; L150-L224 HydrophobicContact CD2-CD1 3.87Å; L150-L224 HydrophobicContact CG-CD1 4.48Å; R220-L224 WeakPolarHBondContact O-CB 3.49Å; R220-L224 PolarHBondContact O-N 3.35Å; R220-L224 VanDerWaalsContact O-N 3.09Å; A221-L224 PolarHBondContact O-N 3.4Å; E222-L224 VanDerWaalsContact C-N 3.31Å; E222-L224 PolarHBondContact O-N 2.97Å; L224-N226 VanDerWaalsContact C-N 3.34Å; L224-L227 PolarHBondContact O-N 3.41Å; L224-L228 WeakPolarHBondContact O-CB 3.48Å; L224-L228 VanDerWaalsContact O-CG 3.27Å; L224-L228 WeakPolarHBondContact O-CG 3.36Å; L224-L228 PolarHBondContact O-N 3.09Å
225I94.9Very high94.1Very high1 Ų152.9 Ų52.91%0.00525%0.25CS..Hα-helixtrans-60.9-45.8175.8-71.6165.6000110.1A221 E222 L227 L228 V229 V263 L267 L305 L309A221-I225 VanDerWaalsContact O-CG1 3.24Å; A221-I225 WeakPolarHBondContact O-CG1 3.3Å; A221-I225 PolarHBondContact O-N 2.92Å; E222-I225 PolarHBondContact O-N 3.47Å; I225-L227 VanDerWaalsContact C-N 3.31Å; I225-L227 PolarHBondContact O-N 3.34Å; I225-L228 PolarHBondContact O-N 2.94Å; I225-V229 HydrophobicContact CG2-CG2 3.98Å; I225-V229 WeakPolarHBondContact O-CB 3.45Å; I225-V229 WeakPolarHBondContact O-CG2 3.41Å; I225-V229 PolarHBondContact O-N 2.9Å; I225-V263 HydrophobicContact CD1-CG1 4.29Å; I225-V263 HydrophobicContact CG1-CG1 3.95Å; I225-L267 HydrophobicContact CD1-CD1 3.92Å; I225-L305 HydrophobicContact CD1-CB 3.82Å; I225-L305 HydrophobicContact CD1-CD2 4.06Å; I225-L305 HydrophobicContact CD1-CG 4.42Å; I225-L309 HydrophobicContact CD1-CB 4.28Å; I225-L309 HydrophobicContact CG1-CB 4.39Å; I225-L309 HydrophobicContact CG1-CD1 4.24Å
226N93.8Very high94Very high44 Ų4450.6 Ų50.624%0.23524%0.238CC..Hα-helixtrans-59.5-43178.4-78.5-47000111.7E222 D223 L224 R230E222-N226 WeakPolarHBondContact O-CB 3.47Å; E222-N226 PolarHBondContact O-N 3.03Å; E222-N226 PolarHBondContact O-ND2 3.04Å; E222-N226 VanDerWaalsContact O-ND2 3.08Å; D223-N226 PolarHBondContact O-N 2.95Å; L224-N226 VanDerWaalsContact C-N 3.34Å; N226-R230 WeakPolarHBondContact O-CB 3.28Å; N226-R230 WeakPolarHBondContact O-CG 3.48Å; N226-R230 PolarHBondContact O-N 3.22Å; N226-R230 PolarHBondContact OD1-NE 2.88Å; N226-R230 PolarHBondContact OD1-NH2 2.98Å
227L93.2Very high93.9Very high46 Ų4649 Ų4924%0.24123%0.232CC..Hα-helixtrans-66.2-44177.1-173.658.3000112.1L143 D223 L224 I225 K231 E232L143-L227 HydrophobicContact CD1-CD2 3.42Å; L143-L227 VanDerWaalsContact CD1-CD2 3.42Å; L143-L227 HydrophobicContact CD1-CG 4.04Å; D223-L227 PolarHBondContact O-N 2.96Å; L224-L227 PolarHBondContact O-N 3.41Å; I225-L227 VanDerWaalsContact C-N 3.31Å; I225-L227 PolarHBondContact O-N 3.34Å; L227-K231 HydrophobicContact CD1-CB 4.22Å; L227-K231 HydrophobicContact CD1-CD 3.71Å; L227-K231 VanDerWaalsContact O-CB 3.31Å; L227-K231 WeakPolarHBondContact O-CB 3.33Å; L227-K231 PolarHBondContact O-N 3.4Å; L227-E232 PolarHBondContact O-N 3.29Å
228L93.6Very high93.8Very high0 Ų051.5 Ų51.50%024%0.241CC..Iπ-helixtrans-66.1-48179.2-74.2170.5000112.6L143 M147 L224 I225 L233 W259 F260 V263L143-L228 HydrophobicContact CD2-CD2 3.8Å; M147-L228 HydrophobicContact CE-CD1 3.95Å; M147-L228 HydrophobicContact CE-CD2 3.87Å; M147-L228 HydrophobicContact CE-CG 4.3Å; L224-L228 WeakPolarHBondContact O-CB 3.48Å; L224-L228 VanDerWaalsContact O-CG 3.27Å; L224-L228 WeakPolarHBondContact O-CG 3.36Å; L224-L228 PolarHBondContact O-N 3.09Å; I225-L228 PolarHBondContact O-N 2.94Å; L228-L233 VanDerWaalsContact O-CB 3.23Å; L228-L233 WeakPolarHBondContact O-CB 3.49Å; L228-L233 PolarHBondContact O-N 2.83Å; L228-W259 HydrophobicContact CD2-CB 3.83Å; L228-W259 HydrophobicContact CD2-CD2 4.32Å; L228-W259 HydrophobicContact CD2-CE3 3.86Å; L228-W259 HydrophobicContact CD2-CG 4.38Å; L228-F260 HydrophobicContact CB-CE2 4Å; L228-F260 HydrophobicContact CB-CZ 4.24Å; L228-F260 HydrophobicContact CD2-CD2 4.47Å; L228-F260 HydrophobicContact CD2-CE2 4.33Å; L228-V263 HydrophobicContact CD1-CG2 3.89Å
229V93.4Very high93.6Very high23 Ų2355 Ų5514%0.13926%0.255CS..Iπ-helixtrans-80.3-42.6-172.1174.90000111.6I225 F260 S312I225-V229 HydrophobicContact CG2-CG2 3.98Å; I225-V229 WeakPolarHBondContact O-CB 3.45Å; I225-V229 WeakPolarHBondContact O-CG2 3.41Å; I225-V229 PolarHBondContact O-N 2.9Å; V229-F260 HydrophobicContact CG2-CE1 4.34Å; V229-F260 HydrophobicContact CG2-CZ 4.21Å; V229-S312 VanDerWaalsContact CG1-OG 3.32Å; V229-S312 WeakPolarHBondContact CG1-OG 3.49Å
230R90.9Very high93.5Very high183 Ų18352.2 Ų52.269%0.69124%0.239SC*.Iπ-helixtrans-89.9-19.5-172.3-55.6-176.3-179.1-174.63114N226 V234N226-R230 WeakPolarHBondContact O-CB 3.28Å; N226-R230 WeakPolarHBondContact O-CG 3.48Å; N226-R230 PolarHBondContact O-N 3.22Å; N226-R230 PolarHBondContact OD1-NE 2.88Å; N226-R230 PolarHBondContact OD1-NH2 2.98Å; R230-V234 WeakPolarHBondContact O-CG2 3.41Å
231K91.3Very high93.4Very high88 Ų8846.7 Ų46.738%0.38322%0.218SC..Iπ-helixtrans-115.1-73.4-179.6-168.9-169.8176.9-159.50110.8C139 L227 L233 V234 D235C139-K231 PolarHBondContact SG-NZ 2.87Å; L227-K231 HydrophobicContact CD1-CB 4.22Å; L227-K231 HydrophobicContact CD1-CD 3.71Å; L227-K231 VanDerWaalsContact O-CB 3.31Å; L227-K231 WeakPolarHBondContact O-CB 3.33Å; L227-K231 PolarHBondContact O-N 3.4Å; K231-L233 PolarHBondContact O-N 3.26Å; K231-V234 PolarHBondContact O-N 3.32Å; K231-V234 VanDerWaalsContact O-N 3.1Å; K231-D235 WeakPolarHBondContact O-CB 3.41Å; K231-D235 VanDerWaalsContact O-CG 3.28Å; K231-D235 PolarHBondContact O-N 3.07Å
232E92.3Very high93.3Very high19 Ų1949.6 Ų49.69%0.08923%0.231CC..Iπ-helixtrans-61.2-42-169.6-60.7-61.7140.200113.4L143 L227 W236 L256 W259L143-E232 HydrophobicContact CD2-CG 4.13Å; L227-E232 PolarHBondContact O-N 3.29Å; E232-W236 WeakPolarHBondContact O-CB 3.45Å; E232-W236 PolarHBondContact O-N 3.47Å; E232-L256 HydrophobicContact CB-CD2 3.98Å; E232-W259 HydrophobicContact CG-CZ3 4.34Å
233L93.5Very high93.1Very high8 Ų847.9 Ų47.94%0.04223%0.227CC..Hα-helixtrans-68.6-39.6177.2-179.164.1000112.1L228 K231 W236 Q237 F260 S312 V315 L344L228-L233 VanDerWaalsContact O-CB 3.23Å; L228-L233 WeakPolarHBondContact O-CB 3.49Å; L228-L233 PolarHBondContact O-N 2.83Å; K231-L233 PolarHBondContact O-N 3.26Å; L233-W236 HydrophobicContact CD1-CE3 4.12Å; L233-W236 PolarHBondContact O-N 2.89Å; L233-Q237 VanDerWaalsContact O-CG 3.29Å; L233-Q237 WeakPolarHBondContact O-CG 3.26Å; L233-Q237 PolarHBondContact O-N 3.38Å; L233-F260 HydrophobicContact CB-CZ 4.49Å; L233-F260 HydrophobicContact CD2-CZ 4.23Å; L233-S312 WeakPolarHBondContact CD2-O 3.46Å; L233-V315 HydrophobicContact CD1-CG1 4.11Å; L233-L344 HydrophobicContact CD1-CD1 4.2Å
234V92.6Very high93.1Very high68 Ų6843.3 Ų43.341%0.41220%0.204SC..Hα-helixtrans-66.8-42.7177.7177.70000110.4R230 K231 W236 Q237 R238R230-V234 WeakPolarHBondContact O-CG2 3.41Å; K231-V234 PolarHBondContact O-N 3.32Å; K231-V234 VanDerWaalsContact O-N 3.1Å; V234-W236 VanDerWaalsContact C-N 3.34Å; V234-W236 PolarHBondContact O-N 2.92Å; V234-Q237 WeakPolarHBondContact O-CB 3.4Å; V234-Q237 PolarHBondContact O-N 3.29Å; V234-R238 PolarHBondContact O-N 3.08Å
235D91.7Very high93.1Very high74 Ų7443 Ų4340%0.39620%0.202SC..Hα-helixtrans-63.9-40.4176.2-68.7-22.9000111.1K231 R238 R239K231-D235 WeakPolarHBondContact O-CB 3.41Å; K231-D235 VanDerWaalsContact O-CG 3.28Å; K231-D235 PolarHBondContact O-N 3.07Å; D235-R238 PolarHBondContact O-N 3.04Å; D235-R239 WeakPolarHBondContact O-CG 3.45Å; D235-R239 PolarHBondContact O-N 3.26Å
236W94.1Very high92.8Very high2 Ų243.7 Ų43.71%0.00821%0.21CC..Hα-helixtrans-63.9-43.4171.8174.986.2000112.4E232 L233 V234 R238 R239 Q240 V251 L253 L256 V315E232-W236 WeakPolarHBondContact O-CB 3.45Å; E232-W236 PolarHBondContact O-N 3.47Å; L233-W236 HydrophobicContact CD1-CE3 4.12Å; L233-W236 PolarHBondContact O-N 2.89Å; V234-W236 VanDerWaalsContact C-N 3.34Å; V234-W236 PolarHBondContact O-N 2.92Å; W236-R238 VanDerWaalsContact C-N 3.27Å; W236-R238 PolarHBondContact O-N 3.19Å; W236-R239 PolarHBondContact O-N 3.41Å; W236-Q240 HydrophobicContact CZ2-CB 4.4Å; W236-Q240 HydrophobicContact CZ2-CG 4.43Å; W236-Q240 WeakPolarHBondContact O-CB 3.32Å; W236-Q240 PolarHBondContact O-N 2.88Å; W236-V251 PolarHBondContact NE1-O 3.06Å; W236-L253 HydrophobicContact CD2-CD2 3.65Å; W236-L253 HydrophobicContact CE3-CD2 4.21Å; W236-L253 HydrophobicContact CG-CD2 4.16Å; W236-L253 HydrophobicContact CH2-CD1 4.1Å; W236-L253 HydrophobicContact CH2-CD2 3.99Å; W236-L253 HydrophobicContact CH2-CG 4.37Å; W236-L253 HydrophobicContact CZ2-CD1 3.69Å; W236-L253 HydrophobicContact CZ2-CD2 3.4Å; W236-L253 HydrophobicContact CZ2-CG 3.58Å; W236-L253 HydrophobicContact CZ3-CD2 4.36Å; W236-L256 HydrophobicContact CB-CD1 3.62Å; W236-L256 HydrophobicContact CD2-CD1 4.23Å; W236-L256 HydrophobicContact CG-CD1 3.62Å; W236-V315 HydrophobicContact CH2-CB 4.39Å; W236-V315 HydrophobicContact CH2-CG2 4.22Å; W236-V315 HydrophobicContact CZ3-CB 4.24Å; W236-V315 HydrophobicContact CZ3-CG1 4.44Å; W236-V315 HydrophobicContact CZ3-CG2 4.39Å
237Q92.8Very high92.8Very high77 Ų7741.9 Ų41.936%0.3620%0.2SC..Hα-helixtrans-59.6-40.3175.5-75.3173.2-2.100111.1L233 V234 Q240 Q241L233-Q237 VanDerWaalsContact O-CG 3.29Å; L233-Q237 WeakPolarHBondContact O-CG 3.26Å; L233-Q237 PolarHBondContact O-N 3.38Å; V234-Q237 WeakPolarHBondContact O-CB 3.4Å; V234-Q237 PolarHBondContact O-N 3.29Å; Q237-Q240 PolarHBondContact O-N 2.77Å; Q237-Q241 WeakPolarHBondContact O-CB 3.33Å; Q237-Q241 PolarHBondContact O-N 3.32Å
238R92.6Very high92.4Very high56 Ų5644.2 Ų44.221%0.21122%0.218CC..Hα-helixtrans-66.3-42.2176.3-173.359.4173.7174.52.7112.3V234 D235 W236 Q241 K242 M471 S473V234-R238 PolarHBondContact O-N 3.08Å; D235-R238 PolarHBondContact O-N 3.04Å; W236-R238 VanDerWaalsContact C-N 3.27Å; W236-R238 PolarHBondContact O-N 3.19Å; R238-Q241 WeakPolarHBondContact O-CB 3.36Å; R238-Q241 PolarHBondContact O-N 3.12Å; R238-K242 PolarHBondContact O-N 3.05Å; R238-M471 PolarHBondContact NH2-O 2.97Å; R238-S473 PolarHBondContact NH1-O 2.78Å
239R93.1Very high92.1Very high75 Ų7546.6 Ų46.628%0.28323%0.231SC..Hα-helixtrans-62.1-42.6172.3-75.5-176.8-70.6149.2-12.5111.7D235 W236 Q241 K242 S243 D249 N250D235-R239 WeakPolarHBondContact O-CG 3.45Å; D235-R239 PolarHBondContact O-N 3.26Å; W236-R239 PolarHBondContact O-N 3.41Å; R239-Q241 VanDerWaalsContact C-N 3.32Å; R239-Q241 PolarHBondContact O-N 2.87Å; R239-K242 PolarHBondContact O-N 2.9Å; R239-S243 VanDerWaalsContact O-CB 3.26Å; R239-S243 WeakPolarHBondContact O-CB 3.37Å; R239-S243 PolarHBondContact O-N 3.11Å; R239-D249 HydrophobicContact CB-CB 4.2Å; R239-D249 HydrophobicContact CG-CB 4.39Å; R239-N250 PolarHBondContact NH1-O 3.28Å
240Q94.6Very high91.7Very high13 Ų1351 Ų516%0.06125%0.254CS..Hα-helixtrans-61-42.4175.1-169-168.457.600111.5W236 Q237 S243 C244 V251 V316 E317W236-Q240 HydrophobicContact CZ2-CB 4.4Å; W236-Q240 HydrophobicContact CZ2-CG 4.43Å; W236-Q240 WeakPolarHBondContact O-CB 3.32Å; W236-Q240 PolarHBondContact O-N 2.88Å; Q237-Q240 PolarHBondContact O-N 2.77Å; Q240-S243 PolarHBondContact O-N 3.17Å; Q240-C244 PolarHBondContact O-N 3.47Å; Q240-C244 PolarHBondContact O-SG 2.73Å; Q240-V251 HydrophobicContact CB-CG1 4.34Å; Q240-V316 PolarHBondContact NE2-O 3.33Å; Q240-E317 PolarHBondContact NE2-O 3.15Å
241Q93.1Very high91.6Very high8 Ų844.6 Ų44.64%0.03724%0.235CC..Hα-helixtrans-60-45.7177.3-163.7-174.717.200112.1Q237 R238 R239 C244 L448 N470 S473Q237-Q241 WeakPolarHBondContact O-CB 3.33Å; Q237-Q241 PolarHBondContact O-N 3.32Å; R238-Q241 WeakPolarHBondContact O-CB 3.36Å; R238-Q241 PolarHBondContact O-N 3.12Å; R239-Q241 VanDerWaalsContact C-N 3.32Å; R239-Q241 PolarHBondContact O-N 2.87Å; Q241-C244 WeakPolarHBondContact O-CB 3.32Å; Q241-C244 PolarHBondContact O-N 2.88Å; Q241-L448 HydrophobicContact CB-CD1 4.27Å; Q241-L448 HydrophobicContact CG-CD1 4.09Å; Q241-L448 HydrophobicContact CG-CD2 4.39Å; Q241-N470 HydrophobicContact CG-CB 3.77Å; Q241-N470 WeakPolarHBondContact CG-OD1 3.48Å; Q241-S473 PolarHBondContact NE2-O 3.37Å
242K92.6Very high91.5Very high63 Ų6343.3 Ų43.327%0.27424%0.237SC..Hα-helixtrans-67.2-42.4175.1-71.4-177.5177.2-172.50112.5R238 R239 C244 I245 G246 A247 D249 W499R238-K242 PolarHBondContact O-N 3.05Å; R239-K242 PolarHBondContact O-N 2.9Å; K242-C244 VanDerWaalsContact C-N 3.27Å; K242-C244 PolarHBondContact O-N 2.79Å; K242-I245 CarbonylContact O-C 3.55Å; K242-I245 WeakPolarHBondContact O-CG1 3.24Å; K242-I245 PolarHBondContact O-N 3.19Å; K242-G246 PolarHBondContact O-N 2.7Å; K242-A247 HydrophobicContact CB-CB 3.74Å; K242-A247 VanDerWaalsContact O-CB 3.29Å; K242-A247 WeakPolarHBondContact O-CB 3.44Å; K242-A247 PolarHBondContact O-N 2.71Å; K242-A247 VanDerWaalsContact O-N 3.09Å; K242-D249 WeakPolarHBondContact CB-OD2 3.33Å; K242-W499 HydrophobicContact CB-CH2 4.46Å; K242-W499 HydrophobicContact CB-CZ3 4.43Å; K242-W499 HydrophobicContact CD-CH2 4.05Å; K242-W499 HydrophobicContact CG-CH2 4.27Å; K242-W499 HydrophobicContact CG-CZ3 4.43Å
243S93.5Very high91.5Very high38 Ų3842.5 Ų42.527%0.26623%0.233SC..Hα-helixtrans-61.3-36.6176.9-176.50000111.7R239 Q240 I245 G246R239-S243 VanDerWaalsContact O-CB 3.26Å; R239-S243 WeakPolarHBondContact O-CB 3.37Å; R239-S243 PolarHBondContact O-N 3.11Å; Q240-S243 PolarHBondContact O-N 3.17Å; S243-I245 PolarHBondContact O-N 3.42Å; S243-I245 VanDerWaalsContact O-N 3.17Å; S243-G246 PolarHBondContact O-N 2.9Å
244C93Very high91.3Very high17 Ų1745.1 Ų45.112%0.11525%0.247CC..Hα-helixtrans-59.1-28.3174.2-72.40000113Q240 Q241 K242 P328 W463Q240-C244 PolarHBondContact O-N 3.47Å; Q240-C244 PolarHBondContact O-SG 2.73Å; Q241-C244 WeakPolarHBondContact O-CB 3.32Å; Q241-C244 PolarHBondContact O-N 2.88Å; K242-C244 VanDerWaalsContact C-N 3.27Å; K242-C244 PolarHBondContact O-N 2.79Å; C244-P328 HydrophobicContact CB-CG 4.01Å; C244-P328 WeakPolarHBondContact O-CG 3.05Å; C244-W463 WeakPolarHBondContact O-CH2 3.4Å
245I93.6Very high91.1Very high1 Ų144.8 Ų44.81%0.00524%0.241CC..THydrogen-bonded Turntrans-98.415.4175.661.8171.3000112.8K242 S243 I466 L467 N470 M471 M496 W499 Q500K242-I245 CarbonylContact O-C 3.55Å; K242-I245 WeakPolarHBondContact O-CG1 3.24Å; K242-I245 PolarHBondContact O-N 3.19Å; S243-I245 PolarHBondContact O-N 3.42Å; S243-I245 VanDerWaalsContact O-N 3.17Å; I245-I466 HydrophobicContact CG2-CG2 4.45Å; I245-L467 HydrophobicContact CB-CD2 3.7Å; I245-L467 HydrophobicContact CG2-CD2 3.83Å; I245-N470 HydrophobicContact CD1-CB 4.33Å; I245-N470 HydrophobicContact CG2-CB 3.59Å; I245-M471 HydrophobicContact CD1-CB 4.37Å; I245-M496 HydrophobicContact CD1-CG 4.01Å; I245-W499 HydrophobicContact CD1-CE3 4.21Å; I245-W499 HydrophobicContact CD1-CZ3 3.97Å; I245-W499 HydrophobicContact CG1-CE3 4.22Å; I245-W499 HydrophobicContact CG1-CZ3 4.29Å; I245-Q500 PolarHBondContact O-NE2 3.14Å
246G90.4Very high91.2Very high15 Ų1541.6 Ų41.616%0.15522%0.224CC..THydrogen-bonded Turntrans98.16.6170.800000115.8K242 S243 W499K242-G246 PolarHBondContact O-N 2.7Å; S243-G246 PolarHBondContact O-N 2.9Å; G246-W499 WeakPolarHBondContact O-CB 3.32Å
247A91.9Very high91.1Very high5 Ų542.2 Ų42.24%0.04123%0.227CC..  trans-63.8141.4173.200000111K242 D249 W499K242-A247 HydrophobicContact CB-CB 3.74Å; K242-A247 VanDerWaalsContact O-CB 3.29Å; K242-A247 WeakPolarHBondContact O-CB 3.44Å; K242-A247 PolarHBondContact O-N 2.71Å; K242-A247 VanDerWaalsContact O-N 3.09Å; A247-D249 PolarHBondContact O-N 3.45Å; A247-W499 HydrophobicContact CB-CD2 3.64Å; A247-W499 HydrophobicContact CB-CE3 3.77Å; A247-W499 HydrophobicContact CB-CG 4.23Å; A247-W499 HydrophobicContact CB-CH2 4.06Å; A247-W499 HydrophobicContact CB-CZ2 3.88Å; A247-W499 HydrophobicContact CB-CZ3 4Å
248P86Confident91.1Very high95 Ų9543.8 Ų43.862%0.61723%0.232SC*.  trans-78.935.4179.536-37.3000112.7L502P248-L502 HydrophobicContact CB-CD2 4Å; P248-L502 HydrophobicContact CG-CD2 3.78Å
249D86.4Confident91.2Very high51 Ų5141.2 Ų41.227%0.27322%0.223SC..  trans-77.9138.6-178.2-69-23.9000111R239 K242 A247 V251R239-D249 HydrophobicContact CB-CB 4.2Å; R239-D249 HydrophobicContact CG-CB 4.39Å; K242-D249 WeakPolarHBondContact CB-OD2 3.33Å; A247-D249 PolarHBondContact O-N 3.45Å; D249-V251 PolarHBondContact O-N 2.76Å
250N84.9Confident91.3Very high114 Ų11437.7 Ų37.761%0.6121%0.209SC*.  trans-73.8119.8171-175.82000110.3R239 C252R239-N250 PolarHBondContact NH1-O 3.28Å; N250-C252 WeakPolarHBondContact OD1-CB 3.33Å; N250-C252 PolarHBondContact OD1-N 2.96Å
251V89Confident91.3Very high49 Ų4937.9 Ų37.930%0.29721%0.212SC..  trans-110.514.8-179-64.90000113.3W236 Q240 D249 L253W236-V251 PolarHBondContact NE1-O 3.06Å; Q240-V251 HydrophobicContact CB-CG1 4.34Å; D249-V251 PolarHBondContact O-N 2.76Å; V251-L253 PolarHBondContact O-N 3.45Å
252C89.5Confident91.4Very high62 Ų6237.9 Ų37.942%0.41921%0.212SC..  trans-58.8131.2177.5-177.90000111.7N250 D254N250-C252 WeakPolarHBondContact OD1-CB 3.33Å; N250-C252 PolarHBondContact OD1-N 2.96Å; C252-D254 VanDerWaalsContact SG-CG 3.53Å; C252-D254 PolarHBondContact SG-N 3.12Å; C252-D254 PolarHBondContact SG-OD2 3.32Å
253L91.4Very high91.5Very high1 Ų134.9 Ų34.91%0.00520%0.199CC..  trans-93.2-6.7-179-79.6173.7000113.9W236 V251 Q255 L256 E257 V315 E317 R342 L344W236-L253 HydrophobicContact CD2-CD2 3.65Å; W236-L253 HydrophobicContact CE3-CD2 4.21Å; W236-L253 HydrophobicContact CG-CD2 4.16Å; W236-L253 HydrophobicContact CH2-CD1 4.1Å; W236-L253 HydrophobicContact CH2-CD2 3.99Å; W236-L253 HydrophobicContact CH2-CG 4.37Å; W236-L253 HydrophobicContact CZ2-CD1 3.69Å; W236-L253 HydrophobicContact CZ2-CD2 3.4Å; W236-L253 HydrophobicContact CZ2-CG 3.58Å; W236-L253 HydrophobicContact CZ3-CD2 4.36Å; V251-L253 PolarHBondContact O-N 3.45Å; L253-Q255 VanDerWaalsContact C-N 3.28Å; L253-Q255 PolarHBondContact O-N 3.48Å; L253-L256 HydrophobicContact CD2-CB 4.41Å; L253-L256 HydrophobicContact CD2-CD1 3.82Å; L253-L256 PolarHBondContact O-N 3.46Å; L253-L256 VanDerWaalsContact O-N 3.13Å; L253-E257 WeakPolarHBondContact O-CB 3.32Å; L253-E257 PolarHBondContact O-N 3.25Å; L253-V315 HydrophobicContact CD1-CG2 3.98Å; L253-E317 HydrophobicContact CD1-CB 3.91Å; L253-E317 HydrophobicContact CD1-CG 3.92Å; L253-R342 HydrophobicContact CD1-CB 4.38Å; L253-L344 HydrophobicContact CB-CD2 4.01Å; L253-L344 HydrophobicContact CD1-CD2 4.03Å; L253-L344 HydrophobicContact CD2-CD2 3.73Å; L253-L344 HydrophobicContact CG-CD2 4.14Å
254D89.8Confident91.7Very high64 Ų6433 Ų3334%0.34219%0.186SC..Hα-helixtrans-62.2-35-168.5-64.1-18.6000112.8C252 K258 R342 S390C252-D254 VanDerWaalsContact SG-CG 3.53Å; C252-D254 PolarHBondContact SG-N 3.12Å; C252-D254 PolarHBondContact SG-OD2 3.32Å; D254-K258 WeakPolarHBondContact O-CB 3.24Å; D254-K258 PolarHBondContact O-N 3.02Å; D254-R342 IonicContact OD1-CZ 3.6Å; D254-R342 IonicContact OD1-NH1 2.72Å; D254-R342 PolarHBondContact OD1-NH1 3.08Å; D254-R342 IonicContact OD1-NH2 3.21Å; D254-R342 PolarHBondContact OD1-NH2 2.87Å; D254-S390 PolarHBondContact OD1-OG 3.31Å
255Q89.7Confident91.7Very high61 Ų6136.8 Ų36.829%0.28520%0.203SC..Hα-helixtrans-69.8-45.4175.8-172.2173.126.100112Q140 L253 E257 K258 W259Q140-Q255 VanDerWaalsContact CD-NE2 3.29Å; L253-Q255 VanDerWaalsContact C-N 3.28Å; L253-Q255 PolarHBondContact O-N 3.48Å; Q255-E257 VanDerWaalsContact C-N 3.31Å; Q255-E257 PolarHBondContact O-N 3.35Å; Q255-K258 WeakPolarHBondContact O-CB 3.27Å; Q255-K258 PolarHBondContact O-N 3.17Å; Q255-W259 VanDerWaalsContact CD-CH2 3.43Å; Q255-W259 VanDerWaalsContact CD-CZ2 3.41Å; Q255-W259 HydrophobicContact CG-CD2 3.97Å; Q255-W259 HydrophobicContact CG-CE3 4.18Å; Q255-W259 HydrophobicContact CG-CH2 3.59Å; Q255-W259 HydrophobicContact CG-CZ2 3.38Å; Q255-W259 HydrophobicContact CG-CZ3 3.99Å; Q255-W259 WeakPolarHBondContact O-CB 3.39Å; Q255-W259 PolarHBondContact O-N 3.3Å
256L92.8Very high91.9Very high7 Ų736.8 Ų36.84%0.03720%0.204CC..Hα-helixtrans-62.1-40.6173.9-77.1169.4000111.1E232 W236 L253 K258 W259 F260 L344E232-L256 HydrophobicContact CB-CD2 3.98Å; W236-L256 HydrophobicContact CB-CD1 3.62Å; W236-L256 HydrophobicContact CD2-CD1 4.23Å; W236-L256 HydrophobicContact CG-CD1 3.62Å; L253-L256 HydrophobicContact CD2-CB 4.41Å; L253-L256 HydrophobicContact CD2-CD1 3.82Å; L253-L256 PolarHBondContact O-N 3.46Å; L253-L256 VanDerWaalsContact O-N 3.13Å; L256-K258 PolarHBondContact O-N 3.12Å; L256-W259 HydrophobicContact CD2-CE3 3.95Å; L256-W259 HydrophobicContact CD2-CZ3 4.23Å; L256-W259 WeakPolarHBondContact O-CB 3.49Å; L256-W259 PolarHBondContact O-N 3.37Å; L256-F260 HydrophobicContact CD2-CD2 4.49Å; L256-F260 HydrophobicContact CD2-CE2 4.11Å; L256-F260 WeakPolarHBondContact O-CB 3.44Å; L256-F260 VanDerWaalsContact O-CD2 3.26Å; L256-F260 WeakPolarHBondContact O-CD2 3.38Å; L256-F260 PolarHBondContact O-N 3.47Å; L256-L344 HydrophobicContact CB-CD1 4.33Å
257E93.1Very high92.1Very high15 Ų1536.1 Ų36.17%0.0720%0.196CC..Hα-helixtrans-60.2-47.4176.3-176.1-179.49800111.2L253 Q255 W259 T261 R342 L344 K346 G392L253-E257 WeakPolarHBondContact O-CB 3.32Å; L253-E257 PolarHBondContact O-N 3.25Å; Q255-E257 VanDerWaalsContact C-N 3.31Å; Q255-E257 PolarHBondContact O-N 3.35Å; E257-W259 VanDerWaalsContact C-N 3.25Å; E257-W259 PolarHBondContact O-N 3.29Å; E257-T261 WeakPolarHBondContact O-CB 3.47Å; E257-T261 PolarHBondContact O-N 2.94Å; E257-T261 PolarHBondContact O-OG1 3.04Å; E257-R342 IonicContact OE1-NH2 2.81Å; E257-R342 PolarHBondContact OE1-NH2 3.16Å; E257-R342 IonicContact OE2-CZ 2.94Å; E257-R342 IonicContact OE2-NE 3.66Å; E257-R342 PolarHBondContact OE2-NE 3.4Å; E257-R342 IonicContact OE2-NH2 3.63Å; E257-R342 PolarHBondContact OE2-NH2 3.11Å; E257-L344 VanDerWaalsContact CA-O 3.3Å; E257-L344 WeakPolarHBondContact CA-O 3.41Å; E257-L344 HydrophobicContact CB-CD2 4.43Å; E257-L344 WeakPolarHBondContact CG-O 3.22Å; E257-L344 VanDerWaalsContact O-O 3.06Å; E257-K346 HydrophobicContact CG-CB 4.36Å; E257-G392 WeakPolarHBondContact OE2-CA 3.42Å
258K91.8Very high92.3Very high109 Ų10936.2 Ų36.247%0.47420%0.196SC..Hα-helixtrans-55.9-43.5175.7180-173.6176-168.40111.4E144 D254 Q255 L256 C262E144-K258 IonicContact OE1-NZ 2.8Å; E144-K258 PolarHBondContact OE1-NZ 3.38Å; D254-K258 WeakPolarHBondContact O-CB 3.24Å; D254-K258 PolarHBondContact O-N 3.02Å; Q255-K258 WeakPolarHBondContact O-CB 3.27Å; Q255-K258 PolarHBondContact O-N 3.17Å; L256-K258 PolarHBondContact O-N 3.12Å; K258-C262 VanDerWaalsContact O-CB 3.28Å; K258-C262 WeakPolarHBondContact O-CB 3.49Å; K258-C262 PolarHBondContact O-N 3.18Å
259W94.5Very high92.8Very high3 Ų335 Ų351%0.01118%0.182CC..Hα-helixtrans-70-51.2-177.8-72.6-10.7000113.5Q140 L143 E144 M147 L228 E232 Q255 L256 E257 T261 C262 V263Q140-W259 HydrophobicContact CB-CH2 4.35Å; Q140-W259 HydrophobicContact CB-CZ2 4.32Å; Q140-W259 HydrophobicContact CG-CH2 4.05Å; Q140-W259 HydrophobicContact CG-CZ2 4.49Å; L143-W259 HydrophobicContact CB-CZ2 4.36Å; L143-W259 HydrophobicContact CD2-CD2 3.68Å; L143-W259 HydrophobicContact CD2-CE3 3.5Å; L143-W259 VanDerWaalsContact CD2-CE3 3.5Å; L143-W259 HydrophobicContact CD2-CG 4.47Å; L143-W259 HydrophobicContact CD2-CH2 3.69Å; L143-W259 HydrophobicContact CD2-CZ2 3.82Å; L143-W259 HydrophobicContact CD2-CZ3 3.53Å; L143-W259 HydrophobicContact CG-CD2 4.49Å; L143-W259 HydrophobicContact CG-CZ2 4.49Å; E144-W259 HydrophobicContact CG-CZ2 4.45Å; M147-W259 HydrophobicContact CE-CB 3.19Å; M147-W259 VanDerWaalsContact CE-CD1 3.47Å; M147-W259 HydrophobicContact CE-CD2 3.98Å; M147-W259 HydrophobicContact CE-CG 3.23Å; M147-W259 VanDerWaalsContact SD-CA 3.59Å; M147-W259 HydrophobicContact SD-CB 3.75Å; M147-W259 HydrophobicContact SD-CG 3.55Å; M147-W259 VanDerWaalsContact SD-CG 3.55Å; L228-W259 HydrophobicContact CD2-CB 3.83Å; L228-W259 HydrophobicContact CD2-CD2 4.32Å; L228-W259 HydrophobicContact CD2-CE3 3.86Å; L228-W259 HydrophobicContact CD2-CG 4.38Å; E232-W259 HydrophobicContact CG-CZ3 4.34Å; Q255-W259 VanDerWaalsContact CD-CH2 3.43Å; Q255-W259 VanDerWaalsContact CD-CZ2 3.41Å; Q255-W259 HydrophobicContact CG-CD2 3.97Å; Q255-W259 HydrophobicContact CG-CE3 4.18Å; Q255-W259 HydrophobicContact CG-CH2 3.59Å; Q255-W259 HydrophobicContact CG-CZ2 3.38Å; Q255-W259 HydrophobicContact CG-CZ3 3.99Å; Q255-W259 WeakPolarHBondContact O-CB 3.39Å; Q255-W259 PolarHBondContact O-N 3.3Å; L256-W259 HydrophobicContact CD2-CE3 3.95Å; L256-W259 HydrophobicContact CD2-CZ3 4.23Å; L256-W259 WeakPolarHBondContact O-CB 3.49Å; L256-W259 PolarHBondContact O-N 3.37Å; E257-W259 VanDerWaalsContact C-N 3.25Å; E257-W259 PolarHBondContact O-N 3.29Å; W259-T261 VanDerWaalsContact C-N 3.35Å; W259-T261 PolarHBondContact O-N 3.01Å; W259-C262 WeakPolarHBondContact O-CB 3.44Å; W259-C262 PolarHBondContact O-N 3.05Å; W259-V263 PolarHBondContact O-N 3.49Å; W259-V263 VanDerWaalsContact O-N 3.17Å
260F95.8Very high93.2Very high0 Ų032.6 Ų32.60%017%0.169CC..Hα-helixtrans-61.4-44176.4-88.5-106.2000111.3L228 V229 L233 L256 C262 V263 A264 L309 L344 V345L228-F260 HydrophobicContact CB-CE2 4Å; L228-F260 HydrophobicContact CB-CZ 4.24Å; L228-F260 HydrophobicContact CD2-CD2 4.47Å; L228-F260 HydrophobicContact CD2-CE2 4.33Å; V229-F260 HydrophobicContact CG2-CE1 4.34Å; V229-F260 HydrophobicContact CG2-CZ 4.21Å; L233-F260 HydrophobicContact CB-CZ 4.49Å; L233-F260 HydrophobicContact CD2-CZ 4.23Å; L256-F260 HydrophobicContact CD2-CD2 4.49Å; L256-F260 HydrophobicContact CD2-CE2 4.11Å; L256-F260 WeakPolarHBondContact O-CB 3.44Å; L256-F260 VanDerWaalsContact O-CD2 3.26Å; L256-F260 WeakPolarHBondContact O-CD2 3.38Å; L256-F260 PolarHBondContact O-N 3.47Å; F260-C262 PolarHBondContact O-N 3.45Å; F260-V263 PolarHBondContact O-N 3.02Å; F260-A264 VanDerWaalsContact O-CB 3.3Å; F260-A264 WeakPolarHBondContact O-CB 3.41Å; F260-A264 PolarHBondContact O-N 3.4Å; F260-L309 HydrophobicContact CD1-CD1 3.4Å; F260-L309 VanDerWaalsContact CD1-CD1 3.4Å; F260-L309 HydrophobicContact CD1-CG 4.18Å; F260-L309 HydrophobicContact CE1-CD1 3.64Å; F260-L309 HydrophobicContact CG-CD1 4.16Å; F260-L344 HydrophobicContact CB-CB 3.91Å; F260-L344 HydrophobicContact CD1-CB 4.34Å; F260-L344 HydrophobicContact CD2-CB 4.47Å; F260-L344 HydrophobicContact CD2-CD1 4.17Å; F260-L344 HydrophobicContact CE2-CD1 4.2Å; F260-L344 HydrophobicContact CG-CB 4Å; F260-L344 HydrophobicContact CG-CD1 4.35Å; F260-L344 HydrophobicContact CZ-CD1 4.41Å; F260-V345 HydrophobicContact CB-CG2 4.06Å
261T94.6Very high93.7Very high18 Ų1829 Ų2911%0.1115%0.147CC..Hα-helixtrans-61.5-43.5177.1-59.20000111.3E257 W259 V263 A264 M265 L344 K346E257-T261 WeakPolarHBondContact O-CB 3.47Å; E257-T261 PolarHBondContact O-N 2.94Å; E257-T261 PolarHBondContact O-OG1 3.04Å; W259-T261 VanDerWaalsContact C-N 3.35Å; W259-T261 PolarHBondContact O-N 3.01Å; T261-V263 PolarHBondContact O-N 3.09Å; T261-A264 PolarHBondContact O-N 3.01Å; T261-M265 HydrophobicContact CG2-CG 4.27Å; T261-M265 HydrophobicContact CG2-SD 4.01Å; T261-M265 WeakPolarHBondContact O-CB 3.47Å; T261-M265 VanDerWaalsContact O-CG 3.24Å; T261-M265 WeakPolarHBondContact O-CG 3.44Å; T261-M265 PolarHBondContact O-N 3.46Å; T261-L344 PolarHBondContact OG1-O 3.25Å; T261-L344 VanDerWaalsContact OG1-O 3.04Å; T261-K346 HydrophobicContact CG2-CB 4.22Å; T261-K346 WeakPolarHBondContact CG2-O 3.43Å; T261-K346 PolarHBondContact OG1-N 2.89Å
262C94.6Very high94Very high7 Ų730.2 Ų30.25%0.04715%0.149CC..Hα-helixtrans-58.1-50.9177.8-176.30000112.2M147 R151 K258 W259 F260 M265 C266M147-C262 HydrophobicContact SD-CB 4.39Å; R151-C262 WeakPolarHBondContact CD-SG 3.41Å; R151-C262 VanDerWaalsContact CZ-SG 3.59Å; R151-C262 PolarHBondContact NE-SG 3.06Å; R151-C262 VanDerWaalsContact NE-SG 3.39Å; K258-C262 VanDerWaalsContact O-CB 3.28Å; K258-C262 WeakPolarHBondContact O-CB 3.49Å; K258-C262 PolarHBondContact O-N 3.18Å; W259-C262 WeakPolarHBondContact O-CB 3.44Å; W259-C262 PolarHBondContact O-N 3.05Å; F260-C262 PolarHBondContact O-N 3.45Å; C262-M265 PolarHBondContact O-N 3.07Å; C262-C266 PolarHBondContact O-N 3.46Å; C262-C266 VanDerWaalsContact O-N 3.09Å; C262-C266 PolarHBondContact O-SG 3.34Å
263V96.3Very high94.3Very high0 Ų027.9 Ų27.90%013%0.132CC..Hα-helixtrans-66.2-40.6-179.3-179.50000111L150 I225 L228 W259 F260 T261 C266 L267 L309L150-V263 HydrophobicContact CD2-CG1 4.48Å; L150-V263 HydrophobicContact CD2-CG2 4.31Å; I225-V263 HydrophobicContact CD1-CG1 4.29Å; I225-V263 HydrophobicContact CG1-CG1 3.95Å; L228-V263 HydrophobicContact CD1-CG2 3.89Å; W259-V263 PolarHBondContact O-N 3.49Å; W259-V263 VanDerWaalsContact O-N 3.17Å; F260-V263 PolarHBondContact O-N 3.02Å; T261-V263 PolarHBondContact O-N 3.09Å; V263-C266 PolarHBondContact O-N 2.83Å; V263-L267 HydrophobicContact CG1-CD1 4.12Å; V263-L267 HydrophobicContact CG1-CG 4.49Å; V263-L267 WeakPolarHBondContact O-CG 3.13Å; V263-L267 PolarHBondContact O-N 3.03Å; V263-L309 HydrophobicContact CB-CD2 4.03Å; V263-L309 HydrophobicContact CG1-CD2 3.87Å
264A95.8Very high94.5Very high0 Ų027.9 Ų27.90%013%0.132CC..Hα-helixtrans-60.6-46.7176.500000111.6F260 T261 C266 L267 F268 L309 V345 F347F260-A264 VanDerWaalsContact O-CB 3.3Å; F260-A264 WeakPolarHBondContact O-CB 3.41Å; F260-A264 PolarHBondContact O-N 3.4Å; T261-A264 PolarHBondContact O-N 3.01Å; A264-C266 PolarHBondContact O-N 3.17Å; A264-L267 PolarHBondContact O-N 3.19Å; A264-F268 VanDerWaalsContact O-CD2 3.23Å; A264-F268 WeakPolarHBondContact O-CD2 3.38Å; A264-F268 PolarHBondContact O-N 2.9Å; A264-L309 HydrophobicContact CB-CD2 3.84Å; A264-V345 HydrophobicContact CB-CB 4.43Å; A264-V345 HydrophobicContact CB-CG1 3.59Å; A264-V345 HydrophobicContact CB-CG2 3.9Å; A264-F347 HydrophobicContact CB-CE2 4.31Å; A264-F347 HydrophobicContact CB-CZ 4.17Å
265M94.9Very high94.7Very high95 Ų9528.2 Ų28.247%0.46813%0.134SC..Hα-helixtrans-56.7-48.2175.9-74.2177.974.100111.7T261 C262 L267 F268 Q269 F347T261-M265 HydrophobicContact CG2-CG 4.27Å; T261-M265 HydrophobicContact CG2-SD 4.01Å; T261-M265 WeakPolarHBondContact O-CB 3.47Å; T261-M265 VanDerWaalsContact O-CG 3.24Å; T261-M265 WeakPolarHBondContact O-CG 3.44Å; T261-M265 PolarHBondContact O-N 3.46Å; C262-M265 PolarHBondContact O-N 3.07Å; M265-L267 VanDerWaalsContact C-N 3.34Å; M265-L267 PolarHBondContact O-N 3.25Å; M265-F268 PolarHBondContact O-N 3.13Å; M265-Q269 WeakPolarHBondContact O-CG 3.5Å; M265-Q269 PolarHBondContact O-N 3.37Å; M265-F347 HydrophobicContact CG-CE1 3.77Å; M265-F347 HydrophobicContact CG-CZ 4.19Å
266C95.9Very high95Very high2 Ų227.6 Ų27.61%0.01413%0.13CC..Hα-helixtrans-58-45.1177.3-68.60000111.8L150 V154 C262 V263 A264 Q269 V270L150-C266 HydrophobicContact CD2-CB 3.97Å; L150-C266 HydrophobicContact CG-CB 4.21Å; V154-C266 HydrophobicContact CG2-CB 3.75Å; C262-C266 PolarHBondContact O-N 3.46Å; C262-C266 VanDerWaalsContact O-N 3.09Å; C262-C266 PolarHBondContact O-SG 3.34Å; V263-C266 PolarHBondContact O-N 2.83Å; A264-C266 PolarHBondContact O-N 3.17Å; C266-Q269 WeakPolarHBondContact O-CB 3.08Å; C266-Q269 PolarHBondContact O-N 3.47Å; C266-V270 WeakPolarHBondContact O-CG2 3.33Å; C266-V270 PolarHBondContact O-N 3.35Å
267L96.5Very high95Very high0 Ų027.3 Ų27.30%013%0.129CC..Hα-helixtrans-68.9-35.7179.5-72.3172.9000113.3L218 A221 I225 V263 A264 M265 Q269 V270 R271 T302 L305 L306 L309L218-L267 HydrophobicContact CD2-CD2 3.99Å; A221-L267 HydrophobicContact CB-CD2 4.03Å; I225-L267 HydrophobicContact CD1-CD1 3.92Å; V263-L267 HydrophobicContact CG1-CD1 4.12Å; V263-L267 HydrophobicContact CG1-CG 4.49Å; V263-L267 WeakPolarHBondContact O-CG 3.13Å; V263-L267 PolarHBondContact O-N 3.03Å; A264-L267 PolarHBondContact O-N 3.19Å; M265-L267 VanDerWaalsContact C-N 3.34Å; M265-L267 PolarHBondContact O-N 3.25Å; L267-Q269 VanDerWaalsContact C-N 3.34Å; L267-V270 PolarHBondContact O-N 2.91Å; L267-R271 PolarHBondContact O-N 3.14Å; L267-T302 HydrophobicContact CD2-CG2 4.42Å; L267-L305 HydrophobicContact CD1-CB 4.17Å; L267-L305 HydrophobicContact CD2-CB 4.44Å; L267-L305 HydrophobicContact CD2-CD1 4.48Å; L267-L306 HydrophobicContact CB-CD1 4.24Å; L267-L306 HydrophobicContact CB-CD2 3.48Å; L267-L306 VanDerWaalsContact CB-CD2 3.48Å; L267-L306 HydrophobicContact CB-CG 3.68Å; L267-L306 HydrophobicContact CD1-CD2 3.98Å; L267-L306 HydrophobicContact CD1-CG 4.07Å; L267-L306 HydrophobicContact CG-CD2 4.4Å; L267-L306 HydrophobicContact CG-CG 4.47Å; L267-L309 HydrophobicContact CD1-CD2 4.3Å
268F95.8Very high95Very high8 Ų829.6 Ų29.64%0.03514%0.142CC..Hα-helixtrans-65.4-37.8171.6-84.6-71.4000111.7A264 M265 R271 E272 L306 F347 F434 L436 F439A264-F268 VanDerWaalsContact O-CD2 3.23Å; A264-F268 WeakPolarHBondContact O-CD2 3.38Å; A264-F268 PolarHBondContact O-N 2.9Å; M265-F268 PolarHBondContact O-N 3.13Å; F268-R271 WeakPolarHBondContact O-CB 3.43Å; F268-R271 PolarHBondContact O-N 3.36Å; F268-E272 PolarHBondContact O-N 2.81Å; F268-E272 VanDerWaalsContact O-N 3.09Å; F268-L306 HydrophobicContact CD2-CD2 4.01Å; F268-L306 HydrophobicContact CE1-CD1 4.47Å; F268-L306 HydrophobicContact CE2-CD2 3.87Å; F268-L306 HydrophobicContact CZ-CD2 4.3Å; F268-F347 AromaticContact CD2-CE2 3.92Å; F268-F347 HydrophobicContact CD2-CE2 3.92Å; F268-F347 AromaticContact CD2-CZ 3.57Å; F268-F347 HydrophobicContact CD2-CZ 3.57Å; F268-F347 AromaticContact CE2-CE2 3.72Å; F268-F347 HydrophobicContact CE2-CE2 3.72Å; F268-F347 AromaticContact CE2-CZ 3.88Å; F268-F347 HydrophobicContact CE2-CZ 3.88Å; F268-F434 HydrophobicContact CE2-CE1 4.43Å; F268-F434 HydrophobicContact CE2-CZ 4.1Å; F268-F434 AromaticContact CZ-CE1 3.77Å; F268-F434 HydrophobicContact CZ-CE1 3.77Å; F268-F434 AromaticContact CZ-CZ 3.87Å; F268-F434 HydrophobicContact CZ-CZ 3.87Å; F268-L436 HydrophobicContact CE1-CD2 4.41Å; F268-L436 HydrophobicContact CE2-CD2 4.31Å; F268-L436 HydrophobicContact CZ-CB 4.46Å; F268-L436 HydrophobicContact CZ-CD2 4.19Å; F268-F439 HydrophobicContact CE1-CB 4.24Å; F268-F439 HydrophobicContact CZ-CD1 4.38Å
269Q95.4Very high95.1Very high70 Ų7028.8 Ų28.833%0.32714%0.139SC..Hα-helixtrans-62.8-42.1172.6-73.6176.1-51.300111.7V154 M265 C266 L267 R271 E272 F273V154-Q269 HydrophobicContact CG1-CB 3.87Å; V154-Q269 HydrophobicContact CG1-CG 4.43Å; M265-Q269 WeakPolarHBondContact O-CG 3.5Å; M265-Q269 PolarHBondContact O-N 3.37Å; C266-Q269 WeakPolarHBondContact O-CB 3.08Å; C266-Q269 PolarHBondContact O-N 3.47Å; L267-Q269 VanDerWaalsContact C-N 3.34Å; Q269-R271 VanDerWaalsContact C-N 3.26Å; Q269-R271 PolarHBondContact O-N 2.82Å; Q269-E272 WeakPolarHBondContact O-CB 3.49Å; Q269-E272 PolarHBondContact O-N 3.33Å; Q269-E272 VanDerWaalsContact O-N 3.09Å; Q269-F273 HydrophobicContact CB-CZ 4.27Å; Q269-F273 WeakPolarHBondContact O-CD1 3.49Å; Q269-F273 VanDerWaalsContact O-CG 3.26Å; Q269-F273 WeakPolarHBondContact O-CG 3.27Å; Q269-F273 PolarHBondContact O-N 3.37Å
270V96.1Very high95Very high0 Ų028.6 Ų28.60%014%0.139CC..Hα-helixtrans-58.4-38.7173.2172.50000111.8L214 L217 L218 C266 L267 F273 L274 T302L214-V270 HydrophobicContact CD2-CG1 3.74Å; L217-V270 HydrophobicContact CD1-CG2 4.23Å; L217-V270 HydrophobicContact CD2-CG2 3.51Å; L218-V270 HydrophobicContact CD2-CG1 4.16Å; C266-V270 WeakPolarHBondContact O-CG2 3.33Å; C266-V270 PolarHBondContact O-N 3.35Å; L267-V270 PolarHBondContact O-N 2.91Å; V270-F273 WeakPolarHBondContact O-CB 3.21Å; V270-F273 PolarHBondContact O-N 2.9Å; V270-L274 HydrophobicContact CG1-CD1 4.14Å; V270-L274 VanDerWaalsContact O-CG 3.32Å; V270-L274 WeakPolarHBondContact O-CG 3.43Å; V270-L274 PolarHBondContact O-N 3.49Å; V270-T302 HydrophobicContact CB-CG2 4.35Å; V270-T302 HydrophobicContact CG1-CG2 3.99Å
271R95.5Very high94.8Very high38 Ų3830.4 Ų30.414%0.14315%0.148CC..Hα-helixtrans-64.3-40.2175.1-167.3169.4-179.9-114.64.4112.2L267 F268 Q269 L274 N275 D303 K437 G438L267-R271 PolarHBondContact O-N 3.14Å; F268-R271 WeakPolarHBondContact O-CB 3.43Å; F268-R271 PolarHBondContact O-N 3.36Å; Q269-R271 VanDerWaalsContact C-N 3.26Å; Q269-R271 PolarHBondContact O-N 2.82Å; R271-L274 PolarHBondContact O-N 3.43Å; R271-N275 VanDerWaalsContact O-CG 3.29Å; R271-N275 PolarHBondContact O-N 2.9Å; R271-N275 PolarHBondContact O-ND2 3.32Å; R271-D303 IonicContact NE-OD1 3.99Å; R271-K437 PolarHBondContact NH1-O 2.97Å; R271-G438 PolarHBondContact NH2-O 3.35Å; R271-G438 VanDerWaalsContact NH2-O 3.15Å
272E94.9Very high94.6Very high74 Ų7433 Ų3335%0.34618%0.177SC..Hα-helixtrans-63.7-40.9172.9-61.4-60.2168.200112F268 Q269 L274 N275 K276 K437F268-E272 PolarHBondContact O-N 2.81Å; F268-E272 VanDerWaalsContact O-N 3.09Å; Q269-E272 WeakPolarHBondContact O-CB 3.49Å; Q269-E272 PolarHBondContact O-N 3.33Å; Q269-E272 VanDerWaalsContact O-N 3.09Å; E272-L274 VanDerWaalsContact C-N 3.32Å; E272-L274 PolarHBondContact O-N 3.23Å; E272-N275 WeakPolarHBondContact O-CB 3.29Å; E272-N275 PolarHBondContact O-N 2.94Å; E272-N275 VanDerWaalsContact O-N 3.17Å; E272-K276 PolarHBondContact O-N 3.37Å; E272-K437 WeakPolarHBondContact OE1-CD 3.26Å; E272-K437 WeakPolarHBondContact OE1-CE 3.44Å; E272-K437 IonicContact OE1-NZ 2.71Å; E272-K437 PolarHBondContact OE1-NZ 3.42Å
273F95.8Very high94.4Very high14 Ų1437.3 Ų37.36%0.06120%0.195CC..Hα-helixtrans-58.4-44174-64.8-17.1000111.9V154 L157 E158 I161 Q269 V270 N275 K276 L277V154-F273 HydrophobicContact CG1-CE2 3.87Å; V154-F273 HydrophobicContact CG1-CZ 3.91Å; L157-F273 HydrophobicContact CB-CE2 4.16Å; L157-F273 HydrophobicContact CD2-CD2 3.57Å; L157-F273 HydrophobicContact CD2-CE2 3.84Å; L157-F273 HydrophobicContact CG-CD2 4Å; L157-F273 HydrophobicContact CG-CE2 4.08Å; E158-F273 HydrophobicContact CB-CE1 3.81Å; E158-F273 HydrophobicContact CB-CZ 3.59Å; E158-F273 HydrophobicContact CG-CE1 3.88Å; E158-F273 HydrophobicContact CG-CZ 4.13Å; I161-F273 HydrophobicContact CD1-CB 3.31Å; I161-F273 HydrophobicContact CD1-CD1 3.6Å; I161-F273 HydrophobicContact CD1-CD2 3.91Å; I161-F273 HydrophobicContact CD1-CE1 4.43Å; I161-F273 HydrophobicContact CD1-CG 3.32Å; Q269-F273 HydrophobicContact CB-CZ 4.27Å; Q269-F273 WeakPolarHBondContact O-CD1 3.49Å; Q269-F273 VanDerWaalsContact O-CG 3.26Å; Q269-F273 WeakPolarHBondContact O-CG 3.27Å; Q269-F273 PolarHBondContact O-N 3.37Å; V270-F273 WeakPolarHBondContact O-CB 3.21Å; V270-F273 PolarHBondContact O-N 2.9Å; F273-N275 VanDerWaalsContact C-N 3.32Å; F273-N275 PolarHBondContact O-N 3.22Å; F273-K276 PolarHBondContact O-N 2.85Å; F273-L277 WeakPolarHBondContact O-CG 3.38Å; F273-L277 PolarHBondContact O-N 2.99Å
274L95.1Very high93.9Very high0 Ų038.8 Ų38.80%020%0.203CC..Hα-helixtrans-66.6-33.6177.1-66.2169000112.3L214 V270 R271 E272 L277 D278 K295 L298 N299L214-L274 HydrophobicContact CD1-CD2 4.02Å; V270-L274 HydrophobicContact CG1-CD1 4.14Å; V270-L274 VanDerWaalsContact O-CG 3.32Å; V270-L274 WeakPolarHBondContact O-CG 3.43Å; V270-L274 PolarHBondContact O-N 3.49Å; R271-L274 PolarHBondContact O-N 3.43Å; E272-L274 VanDerWaalsContact C-N 3.32Å; E272-L274 PolarHBondContact O-N 3.23Å; L274-L277 HydrophobicContact CD2-CD1 4.43Å; L274-D278 PolarHBondContact O-N 3.2Å; L274-K295 HydrophobicContact CD2-CG 4.12Å; L274-K295 WeakPolarHBondContact O-CE 3.4Å; L274-L298 HydrophobicContact CD1-CB 4.26Å; L274-L298 HydrophobicContact CD2-CB 3.91Å; L274-L298 HydrophobicContact CD2-CD1 4.18Å; L274-N299 VanDerWaalsContact CB-OD1 3.29Å; L274-N299 WeakPolarHBondContact CB-OD1 3.29Å; L274-N299 WeakPolarHBondContact CD1-OD1 3.16Å
275N94.2Very high93.6Very high71 Ų7141.8 Ų41.838%0.3822%0.223SC..Hα-helixtrans-67.9-39.3171.3-66.5-23.5000111.7R271 E272 F273 D278 E279R271-N275 VanDerWaalsContact O-CG 3.29Å; R271-N275 PolarHBondContact O-N 2.9Å; R271-N275 PolarHBondContact O-ND2 3.32Å; E272-N275 WeakPolarHBondContact O-CB 3.29Å; E272-N275 PolarHBondContact O-N 2.94Å; E272-N275 VanDerWaalsContact O-N 3.17Å; F273-N275 VanDerWaalsContact C-N 3.32Å; F273-N275 PolarHBondContact O-N 3.22Å; N275-D278 VanDerWaalsContact O-CB 3.23Å; N275-D278 WeakPolarHBondContact O-CB 3.23Å; N275-D278 PolarHBondContact O-N 2.94Å; N275-E279 PolarHBondContact O-N 3.23Å; N275-E279 VanDerWaalsContact O-N 3.12Å
276K94.8Very high93.4Very high48 Ų4839.9 Ų39.921%0.20921%0.212CC..Hα-helixtrans-67.4-39.7177.4-171.762.4-177.5178.80112I161 E165 E272 F273 D278 E279 L280I161-K276 HydrophobicContact CG2-CB 4.32Å; I161-K276 HydrophobicContact CG2-CG 3.81Å; E165-K276 VanDerWaalsContact CD-NZ 3.26Å; E165-K276 WeakPolarHBondContact OE1-CE 3.34Å; E165-K276 IonicContact OE1-NZ 2.6Å; E165-K276 PolarHBondContact OE1-NZ 3.28Å; E165-K276 WeakPolarHBondContact OE2-CE 3.48Å; E165-K276 IonicContact OE2-NZ 3.42Å; E165-K276 PolarHBondContact OE2-NZ 2.98Å; E165-K276 VanDerWaalsContact OE2-NZ 3.11Å; E272-K276 PolarHBondContact O-N 3.37Å; F273-K276 PolarHBondContact O-N 2.85Å; K276-D278 PolarHBondContact O-N 3.1Å; K276-E279 VanDerWaalsContact CD-OE2 3.31Å; K276-E279 WeakPolarHBondContact CD-OE2 3.4Å; K276-E279 VanDerWaalsContact NZ-CD 3.28Å; K276-E279 IonicContact NZ-OE1 3.42Å; K276-E279 PolarHBondContact NZ-OE1 2.89Å; K276-E279 VanDerWaalsContact NZ-OE1 3.13Å; K276-E279 IonicContact NZ-OE2 3.11Å; K276-E279 PolarHBondContact NZ-OE2 2.82Å; K276-E279 WeakPolarHBondContact O-CB 3.19Å; K276-E279 PolarHBondContact O-N 2.95Å; K276-E279 VanDerWaalsContact O-N 3.14Å; K276-L280 WeakPolarHBondContact O-CG 3.37Å; K276-L280 PolarHBondContact O-N 3.2Å
277L94.3Very high92.7Very high1 Ų148.9 Ų48.91%0.00525%0.253CS..Hα-helixtrans-62.2-32.7173.3-70.9175.1000112.3L164 L211 L214 F273 L274 L280 M281 I291L164-L277 HydrophobicContact CD2-CD2 3.68Å; L211-L277 HydrophobicContact CD2-CD1 4.25Å; L214-L277 HydrophobicContact CD1-CD1 3.67Å; F273-L277 WeakPolarHBondContact O-CG 3.38Å; F273-L277 PolarHBondContact O-N 2.99Å; L274-L277 HydrophobicContact CD2-CD1 4.43Å; L277-L280 HydrophobicContact CD2-CD1 4.45Å; L277-L280 PolarHBondContact O-N 3.45Å; L277-M281 WeakPolarHBondContact O-CB 3.19Å; L277-M281 PolarHBondContact O-N 3.12Å; L277-I291 HydrophobicContact CB-CD1 4.37Å; L277-I291 HydrophobicContact CB-CG2 4Å; L277-I291 HydrophobicContact CD2-CD1 3.96Å
278D92.5Very high92.3Very high64 Ų6455.5 Ų55.534%0.34229%0.289SS..Hα-helixtrans-64.7-43.5171.4-105.619000112.4L274 N275 K276 L280 M281 G282 K295L274-D278 PolarHBondContact O-N 3.2Å; N275-D278 VanDerWaalsContact O-CB 3.23Å; N275-D278 WeakPolarHBondContact O-CB 3.23Å; N275-D278 PolarHBondContact O-N 2.94Å; K276-D278 PolarHBondContact O-N 3.1Å; D278-L280 VanDerWaalsContact C-N 3.34Å; D278-M281 WeakPolarHBondContact O-CB 3.29Å; D278-M281 PolarHBondContact O-N 3.15Å; D278-M281 WeakPolarHBondContact OD1-CE 3.33Å; D278-G282 PolarHBondContact O-N 3.45Å; D278-K295 VanDerWaalsContact CG-CE 3.45Å; D278-K295 WeakPolarHBondContact OD1-CD 3.39Å; D278-K295 WeakPolarHBondContact OD1-CE 3.35Å; D278-K295 IonicContact OD1-NZ 2.75Å; D278-K295 PolarHBondContact OD1-NZ 3.14Å; D278-K295 IonicContact OD2-NZ 3.3Å; D278-K295 PolarHBondContact OD2-NZ 3.05Å
279E93.8Very high92.1Very high91 Ų9155.3 Ų55.343%0.42529%0.288SS..Hα-helixtrans-60-46.1174.9-169.4-160.4139.900110.8N275 K276 M281 G282 K283N275-E279 PolarHBondContact O-N 3.23Å; N275-E279 VanDerWaalsContact O-N 3.12Å; K276-E279 VanDerWaalsContact CD-OE2 3.31Å; K276-E279 WeakPolarHBondContact CD-OE2 3.4Å; K276-E279 VanDerWaalsContact NZ-CD 3.28Å; K276-E279 IonicContact NZ-OE1 3.42Å; K276-E279 PolarHBondContact NZ-OE1 2.89Å; K276-E279 VanDerWaalsContact NZ-OE1 3.13Å; K276-E279 IonicContact NZ-OE2 3.11Å; K276-E279 PolarHBondContact NZ-OE2 2.82Å; K276-E279 WeakPolarHBondContact O-CB 3.19Å; K276-E279 PolarHBondContact O-N 2.95Å; K276-E279 VanDerWaalsContact O-N 3.14Å; E279-M281 VanDerWaalsContact C-N 3.35Å; E279-M281 PolarHBondContact O-N 2.76Å; E279-G282 WeakPolarHBondContact O-CA 3.16Å; E279-G282 PolarHBondContact O-N 3.28Å; E279-G282 VanDerWaalsContact O-N 3.12Å; E279-K283 PolarHBondContact O-N 3.22Å; E279-K283 WeakPolarHBondContact OE1-CE 3.3Å; E279-K283 IonicContact OE1-NZ 2.75Å
280L92.4Very high91.9Very high0 Ų052.4 Ų52.40%028%0.275CS..Hα-helixtrans-63.8-39177-66.8178.8000112.1L164 E165 Q168 R207 K276 L277 D278 G282 K283 M284L164-L280 HydrophobicContact CD2-CD1 3.9Å; L164-L280 HydrophobicContact CG-CD1 4.09Å; E165-L280 HydrophobicContact CB-CD1 4.33Å; E165-L280 HydrophobicContact CB-CD2 3.9Å; E165-L280 HydrophobicContact CG-CD2 3.93Å; Q168-L280 PolarHBondContact NE2-O 3.21Å; R207-L280 PolarHBondContact NH2-O 3.47Å; K276-L280 WeakPolarHBondContact O-CG 3.37Å; K276-L280 PolarHBondContact O-N 3.2Å; L277-L280 HydrophobicContact CD2-CD1 4.45Å; L277-L280 PolarHBondContact O-N 3.45Å; D278-L280 VanDerWaalsContact C-N 3.34Å; L280-G282 VanDerWaalsContact C-N 3.31Å; L280-K283 HydrophobicContact CD2-CD 4.39Å; L280-K283 PolarHBondContact O-N 3.32Å; L280-M284 PolarHBondContact O-N 3.36Å
281M92.4Very high91.7Very high38 Ų3852.4 Ų52.419%0.18728%0.275CS..Hα-helixtrans-63-39.7172.3-171.1-147.3-50.800111.4L277 D278 E279 K283 M284 I291 K292L277-M281 WeakPolarHBondContact O-CB 3.19Å; L277-M281 PolarHBondContact O-N 3.12Å; D278-M281 WeakPolarHBondContact O-CB 3.29Å; D278-M281 PolarHBondContact O-N 3.15Å; D278-M281 WeakPolarHBondContact OD1-CE 3.33Å; E279-M281 VanDerWaalsContact C-N 3.35Å; E279-M281 PolarHBondContact O-N 2.76Å; M281-K283 VanDerWaalsContact C-N 3.33Å; M281-K283 PolarHBondContact O-N 3.47Å; M281-M284 CarbonylContact O-C 3.36Å; M281-M284 PolarHBondContact O-N 2.95Å; M281-M284 VanDerWaalsContact O-O 3.13Å; M281-I291 HydrophobicContact CB-CG2 4.38Å; M281-I291 HydrophobicContact CE-CB 4.44Å; M281-I291 HydrophobicContact CE-CG2 3.71Å; M281-K292 HydrophobicContact CE-CB 4.43Å; M281-K292 HydrophobicContact SD-CB 4.16Å; M281-K292 HydrophobicContact SD-CG 4.38Å
282G90.3Very high91.6Very high71 Ų7156.9 Ų56.973%0.73230%0.296SS*.Hα-helixtrans-62.6-37.1176.100000113.2D278 E279 L280D278-G282 PolarHBondContact O-N 3.45Å; E279-G282 WeakPolarHBondContact O-CA 3.16Å; E279-G282 PolarHBondContact O-N 3.28Å; E279-G282 VanDerWaalsContact O-N 3.12Å; L280-G282 VanDerWaalsContact C-N 3.31Å
283K89.3Confident91.4Very high99 Ų9957.1 Ų57.143%0.4331%0.311SS..Hα-helixtrans-69.8-40.9173.3-68.8178-176.61800112.1E165 D169 E279 L280 M281E165-K283 IonicContact OE1-NZ 3.58Å; E165-K283 PolarHBondContact OE1-NZ 2.64Å; E165-K283 VanDerWaalsContact OE1-NZ 3.11Å; D169-K283 IonicContact OD1-NZ 3.13Å; D169-K283 PolarHBondContact OD1-NZ 3.46Å; E279-K283 PolarHBondContact O-N 3.22Å; E279-K283 WeakPolarHBondContact OE1-CE 3.3Å; E279-K283 IonicContact OE1-NZ 2.75Å; L280-K283 HydrophobicContact CD2-CD 4.39Å; L280-K283 PolarHBondContact O-N 3.32Å; M281-K283 VanDerWaalsContact C-N 3.33Å; M281-K283 PolarHBondContact O-N 3.47Å
284M86.7Confident91.2Very high31 Ų3160.2 Ų60.215%0.15333%0.325CS..  trans-150.8127-179.7-179.2-157.7-68.500112.3Q168 F171 L203 R207 L280 M281Q168-M284 HydrophobicContact CG-CB 4.49Å; Q168-M284 HydrophobicContact CG-CE 4.09Å; F171-M284 HydrophobicContact CB-CE 4.34Å; F171-M284 HydrophobicContact CD1-CE 2.98Å; F171-M284 HydrophobicContact CE1-CE 3.27Å; F171-M284 HydrophobicContact CG-CE 3.75Å; F171-M284 HydrophobicContact CZ-CE 4.23Å; L203-M284 HydrophobicContact CD1-CE 4.08Å; L203-M284 HydrophobicContact CD1-SD 4.16Å; R207-M284 PolarHBondContact NH1-O 3.05Å; R207-M284 PolarHBondContact NH2-O 2.7Å; L280-M284 PolarHBondContact O-N 3.36Å; M281-M284 CarbonylContact O-C 3.36Å; M281-M284 PolarHBondContact O-N 2.95Å; M281-M284 VanDerWaalsContact O-O 3.13Å
285S90.2Very high91.1Very high62 Ų6261.1 Ų61.143%0.43433%0.329SS..  trans-139.3159.2174.1-179.10000111.4
286Y88.7Confident91.1Very high56 Ų5661.5 Ų61.522%0.2234%0.336CS..  trans-143170.1176.743.6-89000111.2N204 N288 D289 P290N204-Y286 WeakPolarHBondContact CA-OH 3.46Å; N204-Y286 HydrophobicContact CB-CE2 4.49Å; N204-Y286 WeakPolarHBondContact CB-OH 3.47Å; N204-Y286 WeakPolarHBondContact OD1-CE2 3.39Å; N204-Y286 PolarHBondContact OD1-OH 3.29Å; Y286-N288 VanDerWaalsContact C-N 3.29Å; Y286-N288 PolarHBondContact O-N 3.06Å; Y286-D289 HydrophobicContact CD2-CB 4.06Å; Y286-D289 HydrophobicContact CE1-CB 4.45Å; Y286-D289 VanDerWaalsContact CE2-CA 3.4Å; Y286-D289 HydrophobicContact CE2-CB 3.98Å; Y286-D289 HydrophobicContact CG-CB 4.36Å; Y286-D289 WeakPolarHBondContact O-CB 3.49Å; Y286-D289 PolarHBondContact O-N 3.08Å; Y286-P290 WeakPolarHBondContact OH-CD 3.13Å
287E82.4Confident91.1Very high190 Ų19062.5 Ų62.589%0.88835%0.353SS*.THydrogen-bonded Turntrans-53.6-40.2-170.8-82.3-168.9153.800114
288N87.3Confident91.1Very high140 Ų14062.7 Ų62.775%0.74935%0.354SS*.THydrogen-bonded Turntrans-112.840.3-178.7-65-47.5000112.6Y286 P290Y286-N288 VanDerWaalsContact C-N 3.29Å; Y286-N288 PolarHBondContact O-N 3.06Å; N288-P290 WeakPolarHBondContact O-CD 3.43Å
289D91.6Very high91.3Very high3 Ų361.1 Ų61.12%0.01635%0.345CS..  trans-64117.3178.2-173.5-6.7000111.5R207 Y286 I291 K292 A293R207-D289 IonicContact CZ-OD2 2.54Å; R207-D289 IonicContact NH1-OD1 2.76Å; R207-D289 PolarHBondContact NH1-OD1 2.89Å; R207-D289 VanDerWaalsContact NH1-OD1 3.07Å; R207-D289 IonicContact NH1-OD2 2.8Å; R207-D289 PolarHBondContact NH1-OD2 3.22Å; Y286-D289 HydrophobicContact CD2-CB 4.06Å; Y286-D289 HydrophobicContact CE1-CB 4.45Å; Y286-D289 VanDerWaalsContact CE2-CA 3.4Å; Y286-D289 HydrophobicContact CE2-CB 3.98Å; Y286-D289 HydrophobicContact CG-CB 4.36Å; Y286-D289 WeakPolarHBondContact O-CB 3.49Å; Y286-D289 PolarHBondContact O-N 3.08Å; D289-I291 PolarHBondContact O-N 3.39Å; D289-I291 PolarHBondContact OD1-N 2.66Å; D289-K292 HydrophobicContact CB-CB 4.13Å; D289-K292 PolarHBondContact O-N 3.42Å; D289-A293 PolarHBondContact O-N 3.01Å
290P92Very high91.4Very high10 Ų1064.7 Ų64.77%0.06536%0.36CS..Hα-helixtrans-64.7-27.7-178.129.8-38.4000112.4N204 R207 K208 L211 Y286 N288 A293 Q294N204-P290 WeakPolarHBondContact OD1-CD 3.4Å; R207-P290 HydrophobicContact CB-CG 3.84Å; K208-P290 HydrophobicContact CG-CB 4.05Å; K208-P290 HydrophobicContact CG-CG 3.95Å; L211-P290 VanDerWaalsContact CD1-C 3.48Å; L211-P290 HydrophobicContact CD1-CB 3.72Å; L211-P290 HydrophobicContact CD1-CG 4.19Å; L211-P290 WeakPolarHBondContact CD1-O 3.41Å; Y286-P290 WeakPolarHBondContact OH-CD 3.13Å; N288-P290 WeakPolarHBondContact O-CD 3.43Å; P290-A293 PolarHBondContact O-N 2.95Å; P290-Q294 WeakPolarHBondContact O-CB 3.47Å; P290-Q294 PolarHBondContact O-N 3.31Å
291I92.3Very high91.6Very high0 Ų067.7 Ų67.70%037%0.371CS..Hα-helixtrans-64.9-49.8176.6-57.3177.9000109R207 L211 L277 M281 D289 A293 Q294 K295R207-I291 HydrophobicContact CB-CD1 4.37Å; R207-I291 HydrophobicContact CB-CG1 4.2Å; R207-I291 HydrophobicContact CG-CD1 3.8Å; R207-I291 HydrophobicContact CG-CG1 4.17Å; L211-I291 HydrophobicContact CD1-CG1 4.25Å; L277-I291 HydrophobicContact CB-CD1 4.37Å; L277-I291 HydrophobicContact CB-CG2 4Å; L277-I291 HydrophobicContact CD2-CD1 3.96Å; M281-I291 HydrophobicContact CB-CG2 4.38Å; M281-I291 HydrophobicContact CE-CB 4.44Å; M281-I291 HydrophobicContact CE-CG2 3.71Å; D289-I291 PolarHBondContact O-N 3.39Å; D289-I291 PolarHBondContact OD1-N 2.66Å; I291-A293 PolarHBondContact O-N 3.01Å; I291-Q294 PolarHBondContact O-N 3.47Å; I291-K295 HydrophobicContact CG2-CB 4.09Å; I291-K295 HydrophobicContact CG2-CG 4.47Å; I291-K295 WeakPolarHBondContact O-CB 3.4Å; I291-K295 PolarHBondContact O-N 3.44Å
292K91.8Very high91.8Very high132 Ų13265.9 Ų65.957%0.57436%0.362SS*.Hα-helixtrans-57.3-37.1178.7-170.7179.1-179.4-179.10112.3M281 D289M281-K292 HydrophobicContact CE-CB 4.43Å; M281-K292 HydrophobicContact SD-CB 4.16Å; M281-K292 HydrophobicContact SD-CG 4.38Å; D289-K292 HydrophobicContact CB-CB 4.13Å; D289-K292 PolarHBondContact O-N 3.42Å
293A91.1Very high92Very high79 Ų7964.5 Ų64.565%0.65334%0.338SS*.Hα-helixtrans-77.1-45.5-178.800000113.8D289 P290 I291D289-A293 PolarHBondContact O-N 3.01Å; P290-A293 PolarHBondContact O-N 2.95Å; I291-A293 PolarHBondContact O-N 3.01Å
294Q93Very high92.4Very high78 Ų7862.4 Ų62.436%0.36434%0.339SS..Hα-helixtrans-97.8-28.8-167.9-61.3-175.230.700114.1L211 P290 I291 A297 L298L211-Q294 HydrophobicContact CD1-CB 4.4Å; P290-Q294 WeakPolarHBondContact O-CB 3.47Å; P290-Q294 PolarHBondContact O-N 3.31Å; I291-Q294 PolarHBondContact O-N 3.47Å; Q294-A297 PolarHBondContact O-N 3.19Å; Q294-A297 VanDerWaalsContact O-N 3.15Å; Q294-L298 PolarHBondContact O-N 2.86Å; Q294-L298 VanDerWaalsContact O-N 3.17Å
295K92.4Very high92.9Very high19 Ų1961.6 Ų61.68%0.08334%0.335CS..Hα-helixtrans-58.2-39.9-172.8-176.3-100.2-178.9174.30114.3L274 D278 I291 A297 L298 N299L274-K295 HydrophobicContact CD2-CG 4.12Å; L274-K295 WeakPolarHBondContact O-CE 3.4Å; D278-K295 VanDerWaalsContact CG-CE 3.45Å; D278-K295 WeakPolarHBondContact OD1-CD 3.39Å; D278-K295 WeakPolarHBondContact OD1-CE 3.35Å; D278-K295 IonicContact OD1-NZ 2.75Å; D278-K295 PolarHBondContact OD1-NZ 3.14Å; D278-K295 IonicContact OD2-NZ 3.3Å; D278-K295 PolarHBondContact OD2-NZ 3.05Å; I291-K295 HydrophobicContact CG2-CB 4.09Å; I291-K295 HydrophobicContact CG2-CG 4.47Å; I291-K295 WeakPolarHBondContact O-CB 3.4Å; I291-K295 PolarHBondContact O-N 3.44Å; K295-A297 VanDerWaalsContact C-N 3.3Å; K295-A297 PolarHBondContact O-N 3.25Å; K295-L298 PolarHBondContact O-N 2.97Å; K295-N299 VanDerWaalsContact CE-ND2 3.3Å; K295-N299 WeakPolarHBondContact CE-ND2 3.33Å; K295-N299 PolarHBondContact NZ-ND2 3.06Å; K295-N299 PolarHBondContact O-N 2.97Å
296P94Very high93.1Very high80 Ų8058.6 Ų58.652%0.51931%0.314SS..Hα-helixtrans-59.4-38.7177-25.535.3000113.4K300P296-K300 PolarHBondContact O-N 3.24Å; P296-K300 VanDerWaalsContact O-N 3.16Å
297A95.1Very high93.5Very high69 Ų6960.5 Ų60.557%0.5732%0.323SS*.Hα-helixtrans-69.4-42.4177.400000111.6Q294 K295 K300 R301Q294-A297 PolarHBondContact O-N 3.19Å; Q294-A297 VanDerWaalsContact O-N 3.15Å; K295-A297 VanDerWaalsContact C-N 3.3Å; K295-A297 PolarHBondContact O-N 3.25Å; A297-K300 PolarHBondContact O-N 3.07Å; A297-R301 WeakPolarHBondContact O-CB 3.35Å; A297-R301 PolarHBondContact O-N 3.42Å
298L94.9Very high94.1Very high4 Ų454.8 Ų54.82%0.02130%0.299CS..Hα-helixtrans-61.7-43.2175.8-71.7172.4000112.6L211 L214 N215 L218 L274 Q294 K295 R301 T302L211-L298 HydrophobicContact CD2-CD1 3.55Å; L214-L298 HydrophobicContact CB-CD1 4.43Å; L214-L298 HydrophobicContact CD1-CD1 4.44Å; N215-L298 VanDerWaalsContact OD1-CD2 3.26Å; N215-L298 WeakPolarHBondContact OD1-CD2 3.09Å; L218-L298 HydrophobicContact CD1-CD2 3.7Å; L274-L298 HydrophobicContact CD1-CB 4.26Å; L274-L298 HydrophobicContact CD2-CB 3.91Å; L274-L298 HydrophobicContact CD2-CD1 4.18Å; Q294-L298 PolarHBondContact O-N 2.86Å; Q294-L298 VanDerWaalsContact O-N 3.17Å; K295-L298 PolarHBondContact O-N 2.97Å; L298-R301 PolarHBondContact O-N 3.29Å; L298-T302 WeakPolarHBondContact O-CB 3.31Å; L298-T302 PolarHBondContact O-N 3.29Å; L298-T302 PolarHBondContact O-OG1 2.91Å
299N95Very high94.5Very high32 Ų3248.1 Ų48.117%0.17126%0.263CS..Hα-helixtrans-60-49.4175.3-104.4-1.5000111L274 K295 R301 T302 D303L274-N299 VanDerWaalsContact CB-OD1 3.29Å; L274-N299 WeakPolarHBondContact CB-OD1 3.29Å; L274-N299 WeakPolarHBondContact CD1-OD1 3.16Å; K295-N299 VanDerWaalsContact CE-ND2 3.3Å; K295-N299 WeakPolarHBondContact CE-ND2 3.33Å; K295-N299 PolarHBondContact NZ-ND2 3.06Å; K295-N299 PolarHBondContact O-N 2.97Å; N299-R301 VanDerWaalsContact C-N 3.28Å; N299-R301 PolarHBondContact O-N 3.34Å; N299-T302 PolarHBondContact O-N 3.23Å; N299-D303 WeakPolarHBondContact O-CB 3.37Å; N299-D303 PolarHBondContact O-N 3.09Å
300K95.8Very high94.7Very high166 Ų16648 Ų4872%0.72226%0.263SS*.Hα-helixtrans-60.1-39.8179.2-172.2179.5179.2-1770111.9P296 A297 A304P296-K300 PolarHBondContact O-N 3.24Å; P296-K300 VanDerWaalsContact O-N 3.16Å; A297-K300 PolarHBondContact O-N 3.07Å; K300-A304 WeakPolarHBondContact O-CB 3.39Å; K300-A304 PolarHBondContact O-N 3.45Å
301R97Very high94.8Very high63 Ų6353.1 Ų53.124%0.23828%0.284CS..Hα-helixtrans-66-47.4176.6-173177.3-178.1-164.80.5111.6L218 D219 E222 A297 L298 N299 D303 A304 L305L218-R301 HydrophobicContact CD1-CB 4.41Å; L218-R301 HydrophobicContact CD1-CG 4.29Å; D219-R301 IonicContact OD1-CZ 3.68Å; D219-R301 IonicContact OD1-NH1 2.82Å; D219-R301 PolarHBondContact OD1-NH1 2.87Å; D219-R301 IonicContact OD1-NH2 3.47Å; D219-R301 PolarHBondContact OD1-NH2 2.94Å; E222-R301 IonicContact OE2-CZ 3.04Å; E222-R301 IonicContact OE2-NE 3.83Å; E222-R301 IonicContact OE2-NH2 2.83Å; E222-R301 PolarHBondContact OE2-NH2 3.32Å; A297-R301 WeakPolarHBondContact O-CB 3.35Å; A297-R301 PolarHBondContact O-N 3.42Å; L298-R301 PolarHBondContact O-N 3.29Å; N299-R301 VanDerWaalsContact C-N 3.28Å; N299-R301 PolarHBondContact O-N 3.34Å; R301-D303 PolarHBondContact O-N 3.36Å; R301-A304 PolarHBondContact O-N 3.28Å; R301-L305 HydrophobicContact CG-CD1 4.46Å; R301-L305 WeakPolarHBondContact O-CG 3.42Å; R301-L305 PolarHBondContact O-N 2.87Å
302T96.5Very high95Very high0 Ų054.3 Ų54.30%029%0.292CS..Hα-helixtrans-59.4-47.1177.9-53.60000111.1L218 L267 V270 L298 N299 A304 L305 L306L218-T302 HydrophobicContact CD2-CG2 4.45Å; L267-T302 HydrophobicContact CD2-CG2 4.42Å; V270-T302 HydrophobicContact CB-CG2 4.35Å; V270-T302 HydrophobicContact CG1-CG2 3.99Å; L298-T302 WeakPolarHBondContact O-CB 3.31Å; L298-T302 PolarHBondContact O-N 3.29Å; L298-T302 PolarHBondContact O-OG1 2.91Å; N299-T302 PolarHBondContact O-N 3.23Å; T302-A304 VanDerWaalsContact C-N 3.31Å; T302-A304 PolarHBondContact O-N 3.37Å; T302-L305 PolarHBondContact O-N 2.83Å; T302-L306 HydrophobicContact CG2-CD1 4.32Å; T302-L306 WeakPolarHBondContact O-CB 3.1Å; T302-L306 PolarHBondContact O-N 3.28Å
303D95.8Very high95.2Very high41 Ų4148 Ų4822%0.21927%0.265CS..Hα-helixtrans-63.7-34.9177.9-75.4-9.5000112.4R271 N299 R301 K307 F439R271-D303 IonicContact NE-OD1 3.99Å; N299-D303 WeakPolarHBondContact O-CB 3.37Å; N299-D303 PolarHBondContact O-N 3.09Å; R301-D303 PolarHBondContact O-N 3.36Å; D303-K307 WeakPolarHBondContact O-CB 3.47Å; D303-K307 WeakPolarHBondContact O-CD 3.44Å; D303-K307 VanDerWaalsContact O-CG 3.29Å; D303-K307 WeakPolarHBondContact O-CG 3.26Å; D303-K307 PolarHBondContact O-N 3.26Å; D303-F439 HydrophobicContact CB-CE2 3.86Å; D303-F439 HydrophobicContact CB-CZ 4.3Å; D303-F439 WeakPolarHBondContact OD1-CE2 3.21Å
304A96.4Very high95.4Very high55 Ų5544.6 Ų44.646%0.45524%0.236SC..Hα-helixtrans-67.5-46.1176.100000111.6K300 R301 T302 K307 D308K300-A304 WeakPolarHBondContact O-CB 3.39Å; K300-A304 PolarHBondContact O-N 3.45Å; R301-A304 PolarHBondContact O-N 3.28Å; T302-A304 VanDerWaalsContact C-N 3.31Å; T302-A304 PolarHBondContact O-N 3.37Å; A304-K307 PolarHBondContact O-N 2.83Å; A304-D308 PolarHBondContact O-N 2.99Å
305L96.9Very high95.6Very high14 Ų1441.3 Ų41.37%0.07322%0.22CC..Hα-helixtrans-63.1-42.8176.7-68.1176.6000111.9L218 E222 I225 L267 R301 T302 D308 L309L218-L305 HydrophobicContact CB-CD1 4.45Å; L218-L305 HydrophobicContact CD2-CD1 4.09Å; E222-L305 HydrophobicContact CB-CD1 4.25Å; E222-L305 HydrophobicContact CB-CD2 3.82Å; E222-L305 HydrophobicContact CG-CD2 3.86Å; I225-L305 HydrophobicContact CD1-CB 3.82Å; I225-L305 HydrophobicContact CD1-CD2 4.06Å; I225-L305 HydrophobicContact CD1-CG 4.42Å; L267-L305 HydrophobicContact CD1-CB 4.17Å; L267-L305 HydrophobicContact CD2-CB 4.44Å; L267-L305 HydrophobicContact CD2-CD1 4.48Å; R301-L305 HydrophobicContact CG-CD1 4.46Å; R301-L305 WeakPolarHBondContact O-CG 3.42Å; R301-L305 PolarHBondContact O-N 2.87Å; T302-L305 PolarHBondContact O-N 2.83Å; L305-D308 PolarHBondContact O-N 3.12Å; L305-L309 WeakPolarHBondContact O-CB 3.07Å; L305-L309 PolarHBondContact O-N 3.13Å
306L95.8Very high95.8Very high0 Ų040.6 Ų40.60%022%0.218CC..Hα-helixtrans-60.6-45173.8-85170.4000112L267 F268 T302 D308 L309 L310 F439L267-L306 HydrophobicContact CB-CD1 4.24Å; L267-L306 HydrophobicContact CB-CD2 3.48Å; L267-L306 VanDerWaalsContact CB-CD2 3.48Å; L267-L306 HydrophobicContact CB-CG 3.68Å; L267-L306 HydrophobicContact CD1-CD2 3.98Å; L267-L306 HydrophobicContact CD1-CG 4.07Å; L267-L306 HydrophobicContact CG-CD2 4.4Å; L267-L306 HydrophobicContact CG-CG 4.47Å; F268-L306 HydrophobicContact CD2-CD2 4.01Å; F268-L306 HydrophobicContact CE1-CD1 4.47Å; F268-L306 HydrophobicContact CE2-CD2 3.87Å; F268-L306 HydrophobicContact CZ-CD2 4.3Å; T302-L306 HydrophobicContact CG2-CD1 4.32Å; T302-L306 WeakPolarHBondContact O-CB 3.1Å; T302-L306 PolarHBondContact O-N 3.28Å; L306-D308 VanDerWaalsContact C-N 3.34Å; L306-D308 PolarHBondContact O-N 3.44Å; L306-L309 PolarHBondContact O-N 3.3Å; L306-L310 VanDerWaalsContact O-CB 3.28Å; L306-L310 WeakPolarHBondContact O-CB 3.35Å; L306-L310 WeakPolarHBondContact O-CG 3.48Å; L306-L310 PolarHBondContact O-N 3.07Å; L306-F439 HydrophobicContact CB-CE1 3.81Å; L306-F439 HydrophobicContact CB-CZ 3.81Å; L306-F439 HydrophobicContact CD1-CE1 4.49Å; L306-F439 HydrophobicContact CD1-CZ 4.46Å
307K95.6Very high95.8Very high95 Ų9539 Ų3941%0.41320%0.203SC..Hα-helixtrans-60-44.1177.6-83.4166.3-171.6178.50111.9D303 A304 K311 F439 V441D303-K307 WeakPolarHBondContact O-CB 3.47Å; D303-K307 WeakPolarHBondContact O-CD 3.44Å; D303-K307 VanDerWaalsContact O-CG 3.29Å; D303-K307 WeakPolarHBondContact O-CG 3.26Å; D303-K307 PolarHBondContact O-N 3.26Å; A304-K307 PolarHBondContact O-N 2.83Å; K307-K311 WeakPolarHBondContact O-CB 3.48Å; K307-K311 VanDerWaalsContact O-CG 3.26Å; K307-K311 WeakPolarHBondContact O-CG 3.39Å; K307-K311 PolarHBondContact O-N 3.24Å; K307-F439 HydrophobicContact CD-CZ 4.39Å; K307-F439 HydrophobicContact CG-CE1 4.26Å; K307-F439 HydrophobicContact CG-CZ 3.79Å; K307-V441 HydrophobicContact CG-CG1 4.4Å; K307-V441 HydrophobicContact CG-CG2 3.83Å
308D94.9Very high95.7Very high70 Ų7038.8 Ų38.837%0.37420%0.195SC..Hα-helixtrans-66-46.7-179.2-167.134.1000111.8A304 L305 L306 S312A304-D308 PolarHBondContact O-N 2.99Å; L305-D308 PolarHBondContact O-N 3.12Å; L306-D308 VanDerWaalsContact C-N 3.34Å; L306-D308 PolarHBondContact O-N 3.44Å; D308-S312 WeakPolarHBondContact O-CB 3.41Å; D308-S312 PolarHBondContact O-N 3.48Å; D308-S312 VanDerWaalsContact O-N 3.15Å; D308-S312 PolarHBondContact O-OG 3.24Å
309L96.4Very high95.8Very high0 Ų039 Ų390%020%0.196CC..Hα-helixtrans-60.9-48.3176-178.669000111.8I225 F260 V263 A264 L267 L305 L306 S312 S313I225-L309 HydrophobicContact CD1-CB 4.28Å; I225-L309 HydrophobicContact CG1-CB 4.39Å; I225-L309 HydrophobicContact CG1-CD1 4.24Å; F260-L309 HydrophobicContact CD1-CD1 3.4Å; F260-L309 VanDerWaalsContact CD1-CD1 3.4Å; F260-L309 HydrophobicContact CD1-CG 4.18Å; F260-L309 HydrophobicContact CE1-CD1 3.64Å; F260-L309 HydrophobicContact CG-CD1 4.16Å; V263-L309 HydrophobicContact CB-CD2 4.03Å; V263-L309 HydrophobicContact CG1-CD2 3.87Å; A264-L309 HydrophobicContact CB-CD2 3.84Å; L267-L309 HydrophobicContact CD1-CD2 4.3Å; L305-L309 WeakPolarHBondContact O-CB 3.07Å; L305-L309 PolarHBondContact O-N 3.13Å; L306-L309 PolarHBondContact O-N 3.3Å; L309-S312 PolarHBondContact O-N 2.92Å; L309-S313 WeakPolarHBondContact O-CB 3.31Å; L309-S313 PolarHBondContact O-N 3.45Å
310L95.8Very high95.8Very high0 Ų037.5 Ų37.50%019%0.188CC..Hα-helixtrans-65.5-43.9-177.7-72.4173.5000111.8L306 S312 S313 V345 F434 F439 V441 L443L306-L310 VanDerWaalsContact O-CB 3.28Å; L306-L310 WeakPolarHBondContact O-CB 3.35Å; L306-L310 WeakPolarHBondContact O-CG 3.48Å; L306-L310 PolarHBondContact O-N 3.07Å; L310-S312 PolarHBondContact O-N 3.49Å; L310-S313 PolarHBondContact O-N 2.79Å; L310-S313 VanDerWaalsContact O-N 3.08Å; L310-S313 PolarHBondContact O-OG 3.41Å; L310-V345 HydrophobicContact CD2-CB 4.21Å; L310-V345 HydrophobicContact CD2-CG1 4.06Å; L310-V345 HydrophobicContact CD2-CG2 4.15Å; L310-F434 HydrophobicContact CD1-CD1 3.85Å; L310-F434 HydrophobicContact CD1-CE1 3.84Å; L310-F434 HydrophobicContact CD1-CG 4.28Å; L310-F434 HydrophobicContact CD1-CZ 4.2Å; L310-F434 HydrophobicContact CD2-CD2 4.07Å; L310-F434 HydrophobicContact CD2-CE1 4.44Å; L310-F434 HydrophobicContact CD2-CE2 3.77Å; L310-F434 HydrophobicContact CD2-CZ 3.99Å; L310-F439 HydrophobicContact CD1-CD1 4.09Å; L310-F439 HydrophobicContact CD1-CE1 3.85Å; L310-V441 HydrophobicContact CD1-CG2 4.19Å; L310-L443 HydrophobicContact CB-CD2 4.09Å
311K95.1Very high95.8Very high119 Ų11931.1 Ų31.152%0.51716%0.164SC..Hα-helixtrans-59.7-36.5176.5-77.8-179175.3-170.50112.3K307 S313 V441 L443K307-K311 WeakPolarHBondContact O-CB 3.48Å; K307-K311 VanDerWaalsContact O-CG 3.26Å; K307-K311 WeakPolarHBondContact O-CG 3.39Å; K307-K311 PolarHBondContact O-N 3.24Å; K311-S313 VanDerWaalsContact C-N 3.34Å; K311-V441 HydrophobicContact CG-CG1 4.12Å; K311-L443 HydrophobicContact CG-CD2 4.31Å
312S95.3Very high95.6Very high25 Ų2528.6 Ų28.618%0.17516%0.155CC..Hα-helixtrans-78.8-18.4178.2-55.80000113.4V229 L233 D308 L309 L310V229-S312 VanDerWaalsContact CG1-OG 3.32Å; V229-S312 WeakPolarHBondContact CG1-OG 3.49Å; L233-S312 WeakPolarHBondContact CD2-O 3.46Å; D308-S312 WeakPolarHBondContact O-CB 3.41Å; D308-S312 PolarHBondContact O-N 3.48Å; D308-S312 VanDerWaalsContact O-N 3.15Å; D308-S312 PolarHBondContact O-OG 3.24Å; L309-S312 PolarHBondContact O-N 2.92Å; L310-S312 PolarHBondContact O-N 3.49Å
313S95.8Very high95.1Very high0 Ų034.4 Ų34.40%019%0.193CC..Hα-helixtrans-80.8-16.2-175.874.50000115L309 L310 K311 L343 L344L309-S313 WeakPolarHBondContact O-CB 3.31Å; L309-S313 PolarHBondContact O-N 3.45Å; L310-S313 PolarHBondContact O-N 2.79Å; L310-S313 VanDerWaalsContact O-N 3.08Å; L310-S313 PolarHBondContact O-OG 3.41Å; K311-S313 VanDerWaalsContact C-N 3.34Å; S313-L343 VanDerWaalsContact OG-CD1 3.24Å; S313-L343 WeakPolarHBondContact OG-CD1 3.26Å; S313-L344 WeakPolarHBondContact O-CB 3.42Å; S313-L344 WeakPolarHBondContact O-CG 3.29Å; S313-L344 PolarHBondContact O-N 3.26Å
314F96.6Very high94.5Very high7 Ų738.1 Ų38.13%0.03121%0.209CC..EExtended strand (participates in β ladder)trans-93112.9-179.6-173.6-126.4000110.3T341 L343 V356 L383 F430 T432 L443 A445F314-T341 HydrophobicContact CZ-CG2 4.2Å; F314-L343 HydrophobicContact CB-CD1 4.13Å; F314-L343 HydrophobicContact CD2-CD1 4.4Å; F314-V356 HydrophobicContact CE2-CG2 4.31Å; F314-V356 HydrophobicContact CZ-CG1 3.89Å; F314-V356 HydrophobicContact CZ-CG2 4.03Å; F314-L383 HydrophobicContact CE2-CD1 4.05Å; F314-F430 HydrophobicContact CE1-CB 3.87Å; F314-F430 WeakPolarHBondContact CE1-O 3.44Å; F314-F430 HydrophobicContact CZ-CB 4.06Å; F314-T432 HydrophobicContact CD1-CG2 4.16Å; F314-T432 HydrophobicContact CD2-CG2 4.43Å; F314-T432 HydrophobicContact CE1-CG2 3.97Å; F314-T432 HydrophobicContact CE2-CG2 4.26Å; F314-T432 HydrophobicContact CG-CG2 4.4Å; F314-T432 HydrophobicContact CZ-CG2 4.04Å; F314-L443 HydrophobicContact CB-CB 4.05Å; F314-L443 HydrophobicContact CB-CD1 4.14Å; F314-L443 HydrophobicContact CD1-CB 4.07Å; F314-L443 HydrophobicContact CG-CB 4.26Å; F314-A445 HydrophobicContact CD1-CB 3.49Å; F314-A445 VanDerWaalsContact CD1-CB 3.49Å; F314-A445 HydrophobicContact CE1-CB 3.63Å; F314-A445 HydrophobicContact CG-CB 4.17Å; F314-A445 HydrophobicContact CZ-CB 4.41Å; F314-A445 WeakPolarHBondContact O-CB 3.45Å
315V96.3Very high93.7Very high8 Ų836.5 Ų36.55%0.04820%0.198CC..EExtended strand (participates in β ladder)trans-132.2161-170.9-60.90000112L233 W236 L253 T341 R342 L344L233-V315 HydrophobicContact CD1-CG1 4.11Å; W236-V315 HydrophobicContact CH2-CB 4.39Å; W236-V315 HydrophobicContact CH2-CG2 4.22Å; W236-V315 HydrophobicContact CZ3-CB 4.24Å; W236-V315 HydrophobicContact CZ3-CG1 4.44Å; W236-V315 HydrophobicContact CZ3-CG2 4.39Å; L253-V315 HydrophobicContact CD1-CG2 3.98Å; V315-T341 CarbonylContact O-C 3.58Å; V315-T341 WeakPolarHBondContact O-CA 3.45Å; V315-R342 PolarHBondContact N-O 3.3Å; V315-R342 PolarHBondContact O-N 3.29Å; V315-L344 HydrophobicContact CG1-CD1 4.35Å; V315-L344 HydrophobicContact CG2-CD1 4.4Å; V315-L344 HydrophobicContact CG2-CD2 4.24Å; V315-L344 HydrophobicContact CG2-CG 4.17Å
316V96.3Very high93Very high5 Ų539 Ų393%0.0321%0.208CC..EExtended strand (participates in β ladder)trans-87.9110.3168.5-178.60000107.5Q240 T318 V339 K340 T341 F430 A445 S446Q240-V316 PolarHBondContact NE2-O 3.33Å; V316-T318 WeakPolarHBondContact CG1-O 3.2Å; V316-V339 HydrophobicContact CG1-CG2 3.83Å; V316-K340 CarbonylContact C-O 3.6Å; V316-T341 HydrophobicContact CG2-CG2 4.32Å; V316-F430 HydrophobicContact CG2-CD2 3.85Å; V316-F430 HydrophobicContact CG2-CE2 3.85Å; V316-A445 HydrophobicContact CG2-CB 4.28Å; V316-S446 WeakPolarHBondContact CG2-O 3.43Å
317E94.1Very high92.6Very high45 Ų4539.7 Ų39.721%0.2122%0.216CC..EExtended strand (participates in β ladder)trans-77-45.7-179.6172.8173.6-13800111.6Q240 L253 K340 R342Q240-E317 PolarHBondContact NE2-O 3.15Å; L253-E317 HydrophobicContact CD1-CB 3.91Å; L253-E317 HydrophobicContact CD1-CG 3.92Å; E317-K340 PolarHBondContact N-O 2.94Å; E317-K340 WeakPolarHBondContact OE2-CD 3.47Å; E317-R342 HydrophobicContact CB-CB 3.88Å; E317-R342 WeakPolarHBondContact OE1-CD 3.41Å; E317-R342 IonicContact OE1-CZ 3.27Å; E317-R342 IonicContact OE1-NH1 2.86Å; E317-R342 PolarHBondContact OE1-NH1 2.92Å
318T93.9Very high92.5Very high65 Ų6536.7 Ų36.740%0.39921%0.206SC..EExtended strand (participates in β ladder)trans-119.7115.8175.7-49.20000108.9V316 V339 K340V316-T318 WeakPolarHBondContact CG1-O 3.2Å; T318-V339 WeakPolarHBondContact O-CG2 3.26Å; T318-K340 PolarHBondContact N-O 2.78Å; T318-K340 VanDerWaalsContact N-O 3.07Å; T318-K340 PolarHBondContact O-N 3.44Å
319Q96.1Very high92.5Very high10 Ų1033.4 Ų33.45%0.04719%0.188CC..EExtended strand (participates in β ladder)trans-64154.7-178.8-68.7-65.1-19.500112.1S321 L329 L448Q319-S321 PolarHBondContact O-N 3.25Å; Q319-L329 HydrophobicContact CB-CD2 3.86Å; Q319-L329 HydrophobicContact CG-CD2 4.33Å; Q319-L448 HydrophobicContact CG-CD1 4.19Å
320P96.3Very high92.6Very high0 Ų033.4 Ų33.40%019%0.188CC..EExtended strand (participates in β ladder)trans-52125-179.4-27.333.9000112.5L329 L331 F337 S338 V339 I428 V450P320-L329 PolarHBondContact O-N 2.91Å; P320-L331 HydrophobicContact CB-CD1 4.05Å; P320-L331 HydrophobicContact CB-CD2 4.09Å; P320-F337 HydrophobicContact CB-CD2 4.09Å; P320-F337 HydrophobicContact CB-CE2 4.3Å; P320-S338 WeakPolarHBondContact CA-O 3.43Å; P320-V339 HydrophobicContact CG-CB 4.29Å; P320-V339 HydrophobicContact CG-CG2 3.96Å; P320-I428 HydrophobicContact CB-CD1 4.35Å; P320-I428 HydrophobicContact CG-CD1 3.97Å; P320-V450 HydrophobicContact CB-CG1 4.22Å; P320-V450 HydrophobicContact CG-CG1 4.11Å
321S94.9Very high92.5Very high31 Ų3133.4 Ų33.422%0.21719%0.188CC..EExtended strand (participates in β ladder)trans-145.3149.9-178.855.40000111.9Q319 F337 S338Q319-S321 PolarHBondContact O-N 3.25Å; S321-F337 CarbonylContact O-C 3.46Å; S321-F337 VanDerWaalsContact O-CA 3.3Å; S321-F337 WeakPolarHBondContact O-CA 3.43Å; S321-F337 VanDerWaalsContact O-CB 3.32Å; S321-F337 WeakPolarHBondContact O-CB 3.16Å; S321-S338 PolarHBondContact N-O 2.99Å; S321-S338 PolarHBondContact O-N 3.49Å
322M93.2Very high92.5Very high11 Ų1131.2 Ų31.25%0.05418%0.176CC..  trans-108.3140.4174-64.7-175.2-5700109.7Q324 G325 V330 L331 R332 V335 F337M322-Q324 PolarHBondContact O-N 3.16Å; M322-Q324 VanDerWaalsContact O-N 3.17Å; M322-G325 PolarHBondContact O-N 3.42Å; M322-V330 WeakPolarHBondContact CE-O 3.34Å; M322-L331 HydrophobicContact CG-CD2 4.03Å; M322-R332 HydrophobicContact CE-CB 3.91Å; M322-R332 HydrophobicContact SD-CB 3.78Å; M322-R332 PolarHBondContact SD-N 3.38Å; M322-V335 HydrophobicContact CG-CG1 4.19Å; M322-V335 HydrophobicContact SD-CB 3.9Å; M322-V335 HydrophobicContact SD-CG1 3.52Å; M322-V335 VanDerWaalsContact SD-CG1 3.52Å; M322-F337 HydrophobicContact CG-CB 3.8Å
323P85.2Confident92.4Very high121 Ų12130.8 Ų30.879%0.78617%0.173SC*.THydrogen-bonded Turntrans-56.7-33.4176.1-26.634.4000114
324Q83.8Confident92.2Very high119 Ų11936.3 Ų36.356%0.55620%0.202SC*.THydrogen-bonded Turntrans-103.514.8177.960.9-140.8-1800113.1M322 Q459M322-Q324 PolarHBondContact O-N 3.16Å; M322-Q324 VanDerWaalsContact O-N 3.17Å; Q324-Q459 PolarHBondContact O-NE2 2.69Å
325G80.8Confident92Very high22 Ų2236.4 Ų36.423%0.22720%0.203CC..SBendtrans-77.6156.5172.900000110.8M322 G327M322-G325 PolarHBondContact O-N 3.42Å; G325-G327 VanDerWaalsContact C-N 3.29Å
326K80.8Confident91.9Very high66 Ų6641.1 Ų41.129%0.28723%0.225SC..SBendtrans-70.8-28.9173.4-171.8169.1-178.7177.10112.8Q459 W463 D552K326-Q459 HydrophobicContact CB-CB 4.36Å; K326-W463 HydrophobicContact CD-CB 3.89Å; K326-W463 HydrophobicContact CD-CG 4.08Å; K326-W463 HydrophobicContact CG-CB 4.4Å; K326-W463 HydrophobicContact CG-CG 4.25Å; K326-D552 WeakPolarHBondContact CE-OD1 3.48Å; K326-D552 IonicContact NZ-OD1 3.43Å; K326-D552 PolarHBondContact NZ-OD1 3.49Å; K326-D552 IonicContact NZ-OD2 2.64Å; K326-D552 PolarHBondContact NZ-OD2 2.79Å
327G88.1Confident91.9Very high15 Ų1541 Ų4116%0.15522%0.224CC..SBendtrans-170.2-179.6177.700000110.1G325G325-G327 VanDerWaalsContact C-N 3.29Å
328P92.6Very high91.9Very high32 Ų3240.6 Ų40.621%0.20823%0.226CC..THydrogen-bonded Turntrans-64.3165.2174.229.9-36000111.5C244 V330 W463C244-P328 HydrophobicContact CB-CG 4.01Å; C244-P328 WeakPolarHBondContact O-CG 3.05Å; P328-V330 PolarHBondContact O-N 2.96Å; P328-W463 HydrophobicContact CG-CH2 4.36Å; P328-W463 HydrophobicContact CG-CZ3 4.32Å; P328-W463 WeakPolarHBondContact O-CZ3 3.49Å
329L96.5Very high92Very high0 Ų037.5 Ų37.50%021%0.207CC..THydrogen-bonded Turntrans65.3-4.2176.1-49.7173.4000116.5Q319 P320 L448 V450 V451 I466 N470Q319-L329 HydrophobicContact CB-CD2 3.86Å; Q319-L329 HydrophobicContact CG-CD2 4.33Å; P320-L329 PolarHBondContact O-N 2.91Å; L329-L448 HydrophobicContact CD1-CB 3.77Å; L329-L448 HydrophobicContact CD1-CD1 4.06Å; L329-L448 HydrophobicContact CD2-CB 3.83Å; L329-L448 HydrophobicContact CG-CB 4.47Å; L329-V450 HydrophobicContact CB-CG1 4.32Å; L329-V450 HydrophobicContact CD2-CG1 3.88Å; L329-V450 CarbonylContact O-C 3.55Å; L329-V450 WeakPolarHBondContact O-CA 3.4Å; L329-V450 WeakPolarHBondContact O-CB 3.48Å; L329-V451 PolarHBondContact O-N 2.77Å; L329-I466 HydrophobicContact CB-CD1 3.67Å; L329-I466 HydrophobicContact CB-CG1 4.08Å; L329-I466 HydrophobicContact CB-CG2 4.02Å; L329-I466 HydrophobicContact CD1-CG2 4.02Å; L329-N470 WeakPolarHBondContact CD1-ND2 3.42Å
330V96.5Very high91.9Very high0 Ų038.9 Ų38.90%021%0.213CC..EExtended strand (participates in β ladder)trans-99.7114.2168.2-178.80000108.5M322 P328 I453 A462 W463 I466M322-V330 WeakPolarHBondContact CE-O 3.34Å; P328-V330 PolarHBondContact O-N 2.96Å; V330-I453 HydrophobicContact CG1-CD1 3.96Å; V330-I453 HydrophobicContact CG1-CG1 4.32Å; V330-A462 HydrophobicContact CG1-CB 3.71Å; V330-A462 HydrophobicContact CG2-CB 4.07Å; V330-W463 HydrophobicContact CG2-CB 4.42Å; V330-W463 HydrophobicContact CG2-CE3 4.05Å; V330-I466 HydrophobicContact CG2-CG1 3.73Å
331L95.6Very high91.9Very high0 Ų038.9 Ų38.90%021%0.213CC..EExtended strand (participates in β ladder)trans-117.4141.6-176.7-57.6-177.2000110.8P320 M322 F337 L402 I428 V450 V451 I452 I453P320-L331 HydrophobicContact CB-CD1 4.05Å; P320-L331 HydrophobicContact CB-CD2 4.09Å; M322-L331 HydrophobicContact CG-CD2 4.03Å; L331-F337 HydrophobicContact CD1-CD1 4.43Å; L331-F337 HydrophobicContact CD1-CD2 4.22Å; L331-F337 HydrophobicContact CD1-CE1 4.49Å; L331-F337 HydrophobicContact CD1-CE2 4.25Å; L331-F337 HydrophobicContact CD1-CG 4.3Å; L331-F337 HydrophobicContact CD1-CZ 4.38Å; L331-F337 HydrophobicContact CD2-CB 3.76Å; L331-F337 HydrophobicContact CD2-CD2 4.16Å; L331-F337 HydrophobicContact CD2-CG 3.91Å; L331-L402 HydrophobicContact CB-CD1 4.13Å; L331-L402 HydrophobicContact CD1-CD1 3.67Å; L331-I428 HydrophobicContact CD1-CD1 3.98Å; L331-V450 HydrophobicContact CD1-CB 4.23Å; L331-V450 HydrophobicContact CD1-CG1 4.27Å; L331-V450 HydrophobicContact CD1-CG2 4.13Å; L331-V450 HydrophobicContact CG-CB 4.44Å; L331-V451 PolarHBondContact N-O 2.82Å; L331-I452 CarbonylContact O-C 3.6Å; L331-I452 WeakPolarHBondContact O-CA 3.31Å; L331-I453 VanDerWaalsContact O-CG1 3.24Å; L331-I453 WeakPolarHBondContact O-CG1 3.31Å; L331-I453 PolarHBondContact O-N 3.45Å
332R94.5Very high91.9Very high73 Ų7337.6 Ų37.628%0.27520%0.204SC..EExtended strand (participates in β ladder)trans-106138.8175.9-166.5177.979.3-171.5-0.8110.2M322 V335 I453 S456M322-R332 HydrophobicContact CE-CB 3.91Å; M322-R332 HydrophobicContact SD-CB 3.78Å; M322-R332 PolarHBondContact SD-N 3.38Å; R332-V335 HydrophobicContact CB-CB 4.17Å; R332-V335 HydrophobicContact CB-CG2 3.98Å; R332-V335 HydrophobicContact CG-CG2 4.23Å; R332-V335 PolarHBondContact O-N 3.02Å; R332-I453 WeakPolarHBondContact CA-O 3.43Å; R332-I453 HydrophobicContact CB-CD1 4.36Å; R332-I453 HydrophobicContact CB-CG1 3.99Å; R332-I453 HydrophobicContact CG-CG1 4.17Å; R332-S456 PolarHBondContact NH1-OG 3.06Å
333T92.9Very high92Very high17 Ų1737 Ų3710%0.10420%0.201CC..THydrogen-bonded Turntrans-58.8143.9173.255.90000111.2V335 F373 L402 I452 I453T333-V335 PolarHBondContact O-N 2.71Å; T333-V335 VanDerWaalsContact O-N 3.1Å; T333-F373 HydrophobicContact CG2-CD1 4.18Å; T333-F373 HydrophobicContact CG2-CE1 3.72Å; T333-L402 CarbonylContact C-O 3.54Å; T333-L402 WeakPolarHBondContact CA-O 3.29Å; T333-I452 HydrophobicContact CG2-CG2 3.83Å; T333-I453 PolarHBondContact N-O 3.03Å
334N90.6Very high92.5Very high115 Ų11531.3 Ų31.362%0.61516%0.164SC*.THydrogen-bonded Turntrans57.419.7-178.1-48.5-54.4000115.1L402N334-L402 PolarHBondContact N-O 3.21Å
335V93.6Very high92.9Very high9 Ų925.6 Ų25.66%0.05514%0.137CC..  trans-111.7143172.41740000110.3M322 R332 T333 S401M322-V335 HydrophobicContact CG-CG1 4.19Å; M322-V335 HydrophobicContact SD-CB 3.9Å; M322-V335 HydrophobicContact SD-CG1 3.52Å; M322-V335 VanDerWaalsContact SD-CG1 3.52Å; R332-V335 HydrophobicContact CB-CB 4.17Å; R332-V335 HydrophobicContact CB-CG2 3.98Å; R332-V335 HydrophobicContact CG-CG2 4.23Å; R332-V335 PolarHBondContact O-N 3.02Å; T333-V335 PolarHBondContact O-N 2.71Å; T333-V335 VanDerWaalsContact O-N 3.1Å; V335-S401 WeakPolarHBondContact O-CB 3.5Å
336Q94.4Very high93.3Very high108 Ų10827.7 Ų27.751%0.50514%0.14SC..EExtended strand (participates in β ladder)trans-71.6133.9174.3-64.7-174.81000111.1H399 L400Q336-H399 PolarHBondContact OE1-ND1 3.12Å; Q336-L400 CarbonylContact C-O 3.58Å; Q336-L400 WeakPolarHBondContact CA-O 3.4Å
337F95.1Very high93.7Very high2 Ų225.6 Ų25.61%0.00913%0.131CC..EExtended strand (participates in β ladder)trans-130.2158.6172.870.9-85.5000109.8P320 S321 M322 L331 V339 R398 L400 L402 I428P320-F337 HydrophobicContact CB-CD2 4.09Å; P320-F337 HydrophobicContact CB-CE2 4.3Å; S321-F337 CarbonylContact O-C 3.46Å; S321-F337 VanDerWaalsContact O-CA 3.3Å; S321-F337 WeakPolarHBondContact O-CA 3.43Å; S321-F337 VanDerWaalsContact O-CB 3.32Å; S321-F337 WeakPolarHBondContact O-CB 3.16Å; M322-F337 HydrophobicContact CG-CB 3.8Å; L331-F337 HydrophobicContact CD1-CD1 4.43Å; L331-F337 HydrophobicContact CD1-CD2 4.22Å; L331-F337 HydrophobicContact CD1-CE1 4.49Å; L331-F337 HydrophobicContact CD1-CE2 4.25Å; L331-F337 HydrophobicContact CD1-CG 4.3Å; L331-F337 HydrophobicContact CD1-CZ 4.38Å; L331-F337 HydrophobicContact CD2-CB 3.76Å; L331-F337 HydrophobicContact CD2-CD2 4.16Å; L331-F337 HydrophobicContact CD2-CG 3.91Å; F337-V339 HydrophobicContact CE2-CG1 4.44Å; F337-R398 CarbonylContact O-C 3.53Å; F337-L400 HydrophobicContact CD1-CB 4.02Å; F337-L400 WeakPolarHBondContact CD1-O 3.07Å; F337-L400 HydrophobicContact CD2-CB 4.29Å; F337-L400 HydrophobicContact CE1-CB 3.46Å; F337-L400 VanDerWaalsContact CE1-CB 3.46Å; F337-L400 HydrophobicContact CE2-CB 3.82Å; F337-L400 HydrophobicContact CE2-CD1 3.79Å; F337-L400 HydrophobicContact CE2-CG 4.47Å; F337-L400 HydrophobicContact CG-CB 4.39Å; F337-L400 HydrophobicContact CZ-CB 3.37Å; F337-L400 HydrophobicContact CZ-CD1 3.86Å; F337-L400 HydrophobicContact CZ-CG 4.28Å; F337-L400 PolarHBondContact N-O 3.15Å; F337-L400 PolarHBondContact O-N 3.15Å; F337-L402 HydrophobicContact CD1-CG 4.47Å; F337-L402 HydrophobicContact CE1-CD1 4.29Å; F337-L402 HydrophobicContact CE1-CD2 4.02Å; F337-L402 HydrophobicContact CE1-CG 3.68Å; F337-L402 HydrophobicContact CZ-CD2 4.22Å; F337-L402 HydrophobicContact CZ-CG 4.27Å; F337-I428 HydrophobicContact CE2-CD1 3.87Å; F337-I428 HydrophobicContact CZ-CD1 3.97Å
338S95Very high93.5Very high36 Ų3628.4 Ų28.425%0.25215%0.153SC..EExtended strand (participates in β ladder)trans-115147.8177.753.90000112P320 S321 F397P320-S338 WeakPolarHBondContact CA-O 3.43Å; S321-S338 PolarHBondContact N-O 2.99Å; S321-S338 PolarHBondContact O-N 3.49Å; S338-F397 CarbonylContact C-O 3.59Å; S338-F397 WeakPolarHBondContact CA-O 3.01Å; S338-F397 WeakPolarHBondContact CB-O 3.32Å
339V95.6Very high93.3Very high1 Ų133 Ų331%0.00617%0.171CC..EExtended strand (participates in β ladder)trans-150.1142.3174620000108.7V316 T318 P320 F337 F397 L400 F430V316-V339 HydrophobicContact CG1-CG2 3.83Å; T318-V339 WeakPolarHBondContact O-CG2 3.26Å; P320-V339 HydrophobicContact CG-CB 4.29Å; P320-V339 HydrophobicContact CG-CG2 3.96Å; F337-V339 HydrophobicContact CE2-CG1 4.44Å; V339-F397 HydrophobicContact CG1-CB 3.85Å; V339-F397 HydrophobicContact CG1-CD2 4.23Å; V339-F397 HydrophobicContact CG1-CG 4.33Å; V339-F397 PolarHBondContact N-O 2.91Å; V339-F397 WeakPolarHBondContact O-CB 3.21Å; V339-F397 PolarHBondContact O-N 3.4Å; V339-L400 HydrophobicContact CG1-CD1 3.64Å; V339-F430 HydrophobicContact CB-CZ 4.2Å; V339-F430 HydrophobicContact CG1-CE1 3.62Å; V339-F430 HydrophobicContact CG1-CZ 3.63Å; V339-F430 HydrophobicContact CG2-CE1 4.2Å; V339-F430 HydrophobicContact CG2-CE2 4.2Å; V339-F430 HydrophobicContact CG2-CZ 3.55Å
340K94.8Very high92.7Very high39 Ų3933 Ų3317%0.1717%0.172CC..EExtended strand (participates in β ladder)trans-124.8122.7-177.4-173.8175-92.9-163.40109.9V316 E317 T318 E387 V394V316-K340 CarbonylContact C-O 3.6Å; E317-K340 PolarHBondContact N-O 2.94Å; E317-K340 WeakPolarHBondContact OE2-CD 3.47Å; T318-K340 PolarHBondContact N-O 2.78Å; T318-K340 VanDerWaalsContact N-O 3.07Å; T318-K340 PolarHBondContact O-N 3.44Å; K340-E387 PolarHBondContact NZ-O 3.36Å; K340-V394 HydrophobicContact CD-CG1 3.48Å; K340-V394 VanDerWaalsContact CD-CG1 3.48Å; K340-V394 HydrophobicContact CG-CG1 3.25Å
341T95.4Very high92.2Very high0 Ų036 Ų360%019%0.187CC..EExtended strand (participates in β ladder)trans-104.8146.3173.858.70000110.5F314 V315 V316 V394 A395 F430F314-T341 HydrophobicContact CZ-CG2 4.2Å; V315-T341 CarbonylContact O-C 3.58Å; V315-T341 WeakPolarHBondContact O-CA 3.45Å; V316-T341 HydrophobicContact CG2-CG2 4.32Å; T341-V394 CarbonylContact O-C 3.45Å; T341-V394 VanDerWaalsContact O-CA 3.32Å; T341-V394 WeakPolarHBondContact O-CA 3.41Å; T341-A395 PolarHBondContact N-O 3.22Å; T341-A395 PolarHBondContact O-N 3.38Å; T341-F430 HydrophobicContact CG2-CB 3.95Å; T341-F430 HydrophobicContact CG2-CD1 3.55Å; T341-F430 HydrophobicContact CG2-CD2 3.93Å; T341-F430 HydrophobicContact CG2-CE1 4.05Å; T341-F430 HydrophobicContact CG2-CE2 4.39Å; T341-F430 HydrophobicContact CG2-CG 3.51Å; T341-F430 HydrophobicContact CG2-CZ 4.46Å
342R94.8Very high91.7Very high3 Ų340.8 Ų40.81%0.01121%0.21CC..EExtended strand (participates in β ladder)trans-132.9141.9-179.5-173.8166179.3175.5-3.2110.7L253 D254 E257 V315 E317 M393 V394L253-R342 HydrophobicContact CD1-CB 4.38Å; D254-R342 IonicContact OD1-CZ 3.6Å; D254-R342 IonicContact OD1-NH1 2.72Å; D254-R342 PolarHBondContact OD1-NH1 3.08Å; D254-R342 IonicContact OD1-NH2 3.21Å; D254-R342 PolarHBondContact OD1-NH2 2.87Å; E257-R342 IonicContact OE1-NH2 2.81Å; E257-R342 PolarHBondContact OE1-NH2 3.16Å; E257-R342 IonicContact OE2-CZ 2.94Å; E257-R342 IonicContact OE2-NE 3.66Å; E257-R342 PolarHBondContact OE2-NE 3.4Å; E257-R342 IonicContact OE2-NH2 3.63Å; E257-R342 PolarHBondContact OE2-NH2 3.11Å; V315-R342 PolarHBondContact N-O 3.3Å; V315-R342 PolarHBondContact O-N 3.29Å; E317-R342 HydrophobicContact CB-CB 3.88Å; E317-R342 WeakPolarHBondContact OE1-CD 3.41Å; E317-R342 IonicContact OE1-CZ 3.27Å; E317-R342 IonicContact OE1-NH1 2.86Å; E317-R342 PolarHBondContact OE1-NH1 2.92Å; R342-M393 WeakPolarHBondContact CA-O 3.42Å; R342-V394 HydrophobicContact CB-CG2 4.12Å; R342-V394 HydrophobicContact CG-CG2 3.91Å
343L95.4Very high91.3Very high0 Ų040.5 Ų40.50%022%0.219CC..EExtended strand (participates in β ladder)trans-98.8118.2168.4-175.268.2000108.5S313 F314 V345 M354 L383 M393 F434 L443S313-L343 VanDerWaalsContact OG-CD1 3.24Å; S313-L343 WeakPolarHBondContact OG-CD1 3.26Å; F314-L343 HydrophobicContact CB-CD1 4.13Å; F314-L343 HydrophobicContact CD2-CD1 4.4Å; L343-V345 VanDerWaalsContact CD2-O 3.28Å; L343-V345 WeakPolarHBondContact CD2-O 3.32Å; L343-V345 HydrophobicContact CG-CB 4.43Å; L343-V345 WeakPolarHBondContact CG-O 3.24Å; L343-V345 PolarHBondContact O-N 3.16Å; L343-M354 HydrophobicContact CD2-CE 4.15Å; L343-M354 HydrophobicContact CD2-SD 3.93Å; L343-L383 HydrophobicContact CB-CD2 4.01Å; L343-L383 HydrophobicContact CD2-CD2 4.45Å; L343-M393 HydrophobicContact CB-CB 4.3Å; L343-M393 PolarHBondContact N-O 3.44Å; L343-F434 HydrophobicContact CD2-CD2 4.34Å; L343-L443 HydrophobicContact CD1-CD1 3.82Å
344L94.8Very high91.2Very high0 Ų039.9 Ų39.90%022%0.215CC..SBendtrans-73.4-11.8-180-58.7177.8000113.3L233 L253 L256 E257 F260 T261 S313 V315L233-L344 HydrophobicContact CD1-CD1 4.2Å; L253-L344 HydrophobicContact CB-CD2 4.01Å; L253-L344 HydrophobicContact CD1-CD2 4.03Å; L253-L344 HydrophobicContact CD2-CD2 3.73Å; L253-L344 HydrophobicContact CG-CD2 4.14Å; L256-L344 HydrophobicContact CB-CD1 4.33Å; E257-L344 VanDerWaalsContact CA-O 3.3Å; E257-L344 WeakPolarHBondContact CA-O 3.41Å; E257-L344 HydrophobicContact CB-CD2 4.43Å; E257-L344 WeakPolarHBondContact CG-O 3.22Å; E257-L344 VanDerWaalsContact O-O 3.06Å; F260-L344 HydrophobicContact CB-CB 3.91Å; F260-L344 HydrophobicContact CD1-CB 4.34Å; F260-L344 HydrophobicContact CD2-CB 4.47Å; F260-L344 HydrophobicContact CD2-CD1 4.17Å; F260-L344 HydrophobicContact CE2-CD1 4.2Å; F260-L344 HydrophobicContact CG-CB 4Å; F260-L344 HydrophobicContact CG-CD1 4.35Å; F260-L344 HydrophobicContact CZ-CD1 4.41Å; T261-L344 PolarHBondContact OG1-O 3.25Å; T261-L344 VanDerWaalsContact OG1-O 3.04Å; S313-L344 WeakPolarHBondContact O-CB 3.42Å; S313-L344 WeakPolarHBondContact O-CG 3.29Å; S313-L344 PolarHBondContact O-N 3.26Å; V315-L344 HydrophobicContact CG1-CD1 4.35Å; V315-L344 HydrophobicContact CG2-CD1 4.4Å; V315-L344 HydrophobicContact CG2-CD2 4.24Å; V315-L344 HydrophobicContact CG2-CG 4.17Å
345V93.3Very high91.4Very high0 Ų040.1 Ų40.10%021%0.21CC..SBendtrans-98.8111.3174.1173.40000108.8F260 A264 L310 L343 F347F260-V345 HydrophobicContact CB-CG2 4.06Å; A264-V345 HydrophobicContact CB-CB 4.43Å; A264-V345 HydrophobicContact CB-CG1 3.59Å; A264-V345 HydrophobicContact CB-CG2 3.9Å; L310-V345 HydrophobicContact CD2-CB 4.21Å; L310-V345 HydrophobicContact CD2-CG1 4.06Å; L310-V345 HydrophobicContact CD2-CG2 4.15Å; L343-V345 VanDerWaalsContact CD2-O 3.28Å; L343-V345 WeakPolarHBondContact CD2-O 3.32Å; L343-V345 HydrophobicContact CG-CB 4.43Å; L343-V345 WeakPolarHBondContact CG-O 3.24Å; L343-V345 PolarHBondContact O-N 3.16Å; V345-F347 HydrophobicContact CG1-CD2 3.64Å; V345-F347 HydrophobicContact CG1-CE2 3.23Å; V345-F347 HydrophobicContact CG1-CZ 4.12Å
346K89.6Confident91.4Very high66 Ų6639.7 Ų39.729%0.28721%0.208SC..  trans-103.5111-173.2-172.7178.4-175.5172.40111.5E257 T261 M385 G391 M393E257-K346 HydrophobicContact CG-CB 4.36Å; T261-K346 HydrophobicContact CG2-CB 4.22Å; T261-K346 WeakPolarHBondContact CG2-O 3.43Å; T261-K346 PolarHBondContact OG1-N 2.89Å; K346-M385 HydrophobicContact CD-CE 4.47Å; K346-M385 HydrophobicContact CG-CE 3.77Å; K346-G391 WeakPolarHBondContact CE-O 3.49Å; K346-G391 PolarHBondContact NZ-O 3.22Å; K346-M393 HydrophobicContact CG-CG 4.13Å
347F87.9Confident91.5Very high21 Ų2138 Ų389%0.09220%0.202CC..  trans-121132.2168.2-68.2-69.8000109.4A264 M265 F268 V345 E349 L350 M385 F434 L436A264-F347 HydrophobicContact CB-CE2 4.31Å; A264-F347 HydrophobicContact CB-CZ 4.17Å; M265-F347 HydrophobicContact CG-CE1 3.77Å; M265-F347 HydrophobicContact CG-CZ 4.19Å; F268-F347 AromaticContact CD2-CE2 3.92Å; F268-F347 HydrophobicContact CD2-CE2 3.92Å; F268-F347 AromaticContact CD2-CZ 3.57Å; F268-F347 HydrophobicContact CD2-CZ 3.57Å; F268-F347 AromaticContact CE2-CE2 3.72Å; F268-F347 HydrophobicContact CE2-CE2 3.72Å; F268-F347 AromaticContact CE2-CZ 3.88Å; F268-F347 HydrophobicContact CE2-CZ 3.88Å; V345-F347 HydrophobicContact CG1-CD2 3.64Å; V345-F347 HydrophobicContact CG1-CE2 3.23Å; V345-F347 HydrophobicContact CG1-CZ 4.12Å; F347-E349 PolarHBondContact O-N 3.44Å; F347-L350 HydrophobicContact CB-CD1 3.88Å; F347-L350 HydrophobicContact CB-CG 3.99Å; F347-L350 HydrophobicContact CD2-CD1 3.99Å; F347-L350 HydrophobicContact CG-CD1 4.41Å; F347-L350 PolarHBondContact O-N 2.89Å; F347-M385 WeakPolarHBondContact O-CE 3.46Å; F347-F434 HydrophobicContact CD2-CE2 4.31Å; F347-F434 HydrophobicContact CD2-CZ 4.24Å; F347-F434 HydrophobicContact CE2-CZ 4.31Å; F347-L436 HydrophobicContact CB-CD2 4.34Å; F347-L436 HydrophobicContact CD1-CD2 4.14Å; F347-L436 HydrophobicContact CD2-CD2 3.69Å; F347-L436 HydrophobicContact CE1-CD2 4.39Å; F347-L436 HydrophobicContact CE2-CD2 3.95Å; F347-L436 HydrophobicContact CG-CD2 3.8Å; F347-L436 HydrophobicContact CZ-CD2 4.33Å
348A85Confident91.4Very high75 Ų7538.5 Ų38.562%0.6221%0.205SC*.G310 helixtrans-66.4-31.3-177.900000111.9L350 N351A348-L350 PolarHBondContact O-N 3.39Å; A348-N351 WeakPolarHBondContact O-CB 3.32Å; A348-N351 PolarHBondContact O-N 3.32Å
349E87.3Confident91.3Very high127 Ų12738.8 Ų38.859%0.59321%0.207SC*.G310 helixtrans-64.8-20178.6-55.893.1147.600113F347 L436F347-E349 PolarHBondContact O-N 3.44Å; E349-L436 HydrophobicContact CB-CD1 4.12Å
350L85.1Confident90.9Very high2 Ų239.9 Ų39.91%0.0121%0.213CC..G310 helixtrans-91.1-2.2-178.8-63.7177.5000113.6F347 A348 H352 S353 M354 M393 F434 D435 L436F347-L350 HydrophobicContact CB-CD1 3.88Å; F347-L350 HydrophobicContact CB-CG 3.99Å; F347-L350 HydrophobicContact CD2-CD1 3.99Å; F347-L350 HydrophobicContact CG-CD1 4.41Å; F347-L350 PolarHBondContact O-N 2.89Å; A348-L350 PolarHBondContact O-N 3.39Å; L350-H352 PolarHBondContact O-N 3Å; L350-S353 VanDerWaalsContact CA-OG 3.29Å; L350-S353 WeakPolarHBondContact CA-OG 3.39Å; L350-S353 PolarHBondContact O-N 3.31Å; L350-S353 VanDerWaalsContact O-N 3.1Å; L350-S353 PolarHBondContact O-OG 2.94Å; L350-M354 HydrophobicContact CB-SD 4.32Å; L350-M354 HydrophobicContact CD1-SD 4.06Å; L350-M354 HydrophobicContact CD2-SD 4.48Å; L350-M393 VanDerWaalsContact C-CE 3.47Å; L350-M393 HydrophobicContact CB-CE 3.74Å; L350-M393 VanDerWaalsContact O-CE 3.31Å; L350-M393 WeakPolarHBondContact O-CE 3.34Å; L350-F434 HydrophobicContact CD1-CD2 3.81Å; L350-F434 HydrophobicContact CD1-CE2 3.22Å; L350-F434 HydrophobicContact CD1-CZ 3.81Å; L350-D435 WeakPolarHBondContact CD2-O 3.39Å; L350-L436 HydrophobicContact CD2-CB 4.3Å; L350-L436 HydrophobicContact CD2-CD1 4.21Å; L350-L436 HydrophobicContact CG-CD1 4.48Å
351N85.8Confident90Very high62 Ų6240.3 Ų40.333%0.33222%0.22SC..THydrogen-bonded Turntrans-62.8122.2-178.8-169.631000110.4A348 S353 N384 M385A348-N351 WeakPolarHBondContact O-CB 3.32Å; A348-N351 PolarHBondContact O-N 3.32Å; N351-S353 PolarHBondContact O-N 3.34Å; N351-N384 VanDerWaalsContact OD1-CA 3.25Å; N351-N384 WeakPolarHBondContact OD1-CA 3.18Å; N351-M385 PolarHBondContact OD1-N 3.23Å
352H85.3Confident88.5Confident101 Ų10151 Ų5147%0.46826%0.261SS..THydrogen-bonded Turntrans63.44.8-173.6-58.7-79.1000116.5L350 L383 N384L350-H352 PolarHBondContact O-N 3Å; H352-L383 WeakPolarHBondContact CA-O 3.2Å; H352-L383 PolarHBondContact N-O 3.04Å; H352-N384 WeakPolarHBondContact CE1-CB 3.45Å
353S86.2Confident87.2Confident67 Ų6758.9 Ų58.947%0.46930%0.298SS..THydrogen-bonded Turntrans-84.1-35.1178.4750000112.5L350 N351L350-S353 VanDerWaalsContact CA-OG 3.29Å; L350-S353 WeakPolarHBondContact CA-OG 3.39Å; L350-S353 PolarHBondContact O-N 3.31Å; L350-S353 VanDerWaalsContact O-N 3.1Å; L350-S353 PolarHBondContact O-OG 2.94Å; N351-S353 PolarHBondContact O-N 3.34Å
354M91.2Very high85.9Confident3 Ų360.9 Ų60.92%0.01531%0.314CS..  trans-90.4132.7-174.9-62.9178.164.300111.6L343 L350 D382 L383 T432 F434 L443L343-M354 HydrophobicContact CD2-CE 4.15Å; L343-M354 HydrophobicContact CD2-SD 3.93Å; L350-M354 HydrophobicContact CB-SD 4.32Å; L350-M354 HydrophobicContact CD1-SD 4.06Å; L350-M354 HydrophobicContact CD2-SD 4.48Å; M354-D382 WeakPolarHBondContact O-CA 3.44Å; M354-L383 HydrophobicContact CB-CB 4.11Å; M354-L383 PolarHBondContact O-N 3.42Å; M354-T432 HydrophobicContact CE-CG2 3.82Å; M354-F434 HydrophobicContact CE-CB 3.92Å; M354-F434 HydrophobicContact CE-CD2 4.17Å; M354-F434 HydrophobicContact SD-CD2 4.09Å; M354-L443 HydrophobicContact CE-CD1 4.08Å
355K93Very high85.1Confident120 Ų12062.2 Ų62.252%0.52232%0.323SS..EExtended strand (participates in β ladder)trans-111.5118.3177.9-56.2-159.8171.3-179.40111.2T380 D382 T432K355-T380 HydrophobicContact CB-CG2 4.02Å; K355-T380 HydrophobicContact CD-CG2 4.4Å; K355-D382 WeakPolarHBondContact CD-OD1 3.37Å; K355-D382 VanDerWaalsContact CE-OD1 3.3Å; K355-D382 WeakPolarHBondContact CE-OD1 3.45Å; K355-D382 VanDerWaalsContact CG-OD1 3.3Å; K355-D382 WeakPolarHBondContact CG-OD1 3.49Å; K355-T432 PolarHBondContact O-OG1 2.7Å
356V95.3Very high84.4Confident0 Ų069.2 Ų69.20%036%0.355CS..EExtended strand (participates in β ladder)trans-90126.6177.3-175.70000109.7F314 T380 K381 L383 A395 F397 F430 N431F314-V356 HydrophobicContact CE2-CG2 4.31Å; F314-V356 HydrophobicContact CZ-CG1 3.89Å; F314-V356 HydrophobicContact CZ-CG2 4.03Å; V356-T380 CarbonylContact O-C 3.3Å; V356-T380 VanDerWaalsContact O-CA 3.24Å; V356-T380 WeakPolarHBondContact O-CA 3.34Å; V356-K381 PolarHBondContact N-O 3.02Å; V356-K381 PolarHBondContact O-N 3.28Å; V356-L383 HydrophobicContact CG2-CB 4.46Å; V356-L383 HydrophobicContact CG2-CD1 3.67Å; V356-A395 HydrophobicContact CB-CB 4.2Å; V356-A395 HydrophobicContact CG2-CB 3.83Å; V356-F397 HydrophobicContact CB-CE2 4.23Å; V356-F397 HydrophobicContact CB-CZ 3.93Å; V356-F397 HydrophobicContact CG1-CE2 3.91Å; V356-F397 HydrophobicContact CG1-CZ 3.83Å; V356-F430 HydrophobicContact CG1-CB 3.97Å; V356-F430 HydrophobicContact CG1-CD1 4.28Å; V356-N431 WeakPolarHBondContact CA-O 3.25Å
357N94.7Very high83.9Confident73 Ų7366.8 Ų66.839%0.3935%0.345SS..EExtended strand (participates in β ladder)trans-108.8131.1176.3-65.9-53000111A379 T380 F430 N431N357-A379 CarbonylContact C-O 3.56Å; N357-A379 WeakPolarHBondContact CA-O 3.28Å; N357-T380 WeakPolarHBondContact OD1-CB 3.39Å; N357-T380 WeakPolarHBondContact OD1-CG2 3.37Å; N357-T380 PolarHBondContact OD1-OG1 2.87Å; N357-F430 CarbonylContact O-C 3.53Å; N357-F430 WeakPolarHBondContact O-CA 3.14Å; N357-N431 PolarHBondContact N-O 2.5Å; N357-N431 PolarHBondContact O-N 3.43Å
358V94.8Very high83.5Confident13 Ų1371.9 Ų71.98%0.07937%0.368CS..EExtended strand (participates in β ladder)trans-96.3135.8178.8-1680000110.5V375 A379 F397 L400 I428 Y429 F430V358-V375 HydrophobicContact CG1-CG1 4.2Å; V358-V375 HydrophobicContact CG1-CG2 4.39Å; V358-A379 PolarHBondContact N-O 3.23Å; V358-F397 HydrophobicContact CG2-CD1 3.75Å; V358-F397 HydrophobicContact CG2-CD2 4.31Å; V358-F397 HydrophobicContact CG2-CE1 3.32Å; V358-F397 HydrophobicContact CG2-CE2 3.95Å; V358-F397 HydrophobicContact CG2-CG 4.23Å; V358-F397 HydrophobicContact CG2-CZ 3.42Å; V358-F397 VanDerWaalsContact CG2-CZ 3.42Å; V358-L400 HydrophobicContact CG1-CD1 4.22Å; V358-L400 HydrophobicContact CG2-CD1 4.21Å; V358-I428 HydrophobicContact CG1-CG2 3.43Å; V358-I428 VanDerWaalsContact CG1-CG2 3.43Å; V358-Y429 CarbonylContact C-O 3.52Å; V358-Y429 WeakPolarHBondContact CA-O 3.44Å; V358-F430 HydrophobicContact CB-CD1 4.41Å; V358-F430 HydrophobicContact CB-CE1 4.32Å; V358-F430 HydrophobicContact CG1-CD1 4.22Å; V358-F430 HydrophobicContact CG1-CE1 3.78Å; V358-F430 HydrophobicContact CG1-CZ 4.31Å; V358-F430 HydrophobicContact CG2-CD1 3.75Å; V358-F430 HydrophobicContact CG2-CE1 3.69Å
359S91.4Very high83.1Confident42 Ų4271.6 Ų71.629%0.29437%0.372SS..EExtended strand (participates in β ladder)trans-147.9158177580000111.5Y429 N431S359-Y429 PolarHBondContact N-O 3.21Å; S359-Y429 PolarHBondContact O-N 3.27Å; S359-N431 PolarHBondContact OG-ND2 3.3Å
360M87.8Confident83Confident24 Ų2467.1 Ų67.112%0.11835%0.35CS..EExtended strand (participates in β ladder)trans-101.2154170.7-82.1-77.9-16600109.7R362 V375 L402 H426 I427 I428 I452M360-R362 PolarHBondContact O-N 3.09Å; M360-V375 HydrophobicContact CG-CG2 3.75Å; M360-L402 HydrophobicContact CE-CD1 3.61Å; M360-L402 HydrophobicContact CE-CD2 3.55Å; M360-L402 HydrophobicContact CE-CG 4.25Å; M360-H426 HydrophobicContact SD-CB 4.45Å; M360-I427 VanDerWaalsContact SD-O 3.36Å; M360-I428 HydrophobicContact CE-CD1 3.87Å; M360-I428 HydrophobicContact CE-CG1 3.39Å; M360-I428 HydrophobicContact SD-CG1 3.69Å; M360-I452 HydrophobicContact CE-CD1 3.8Å
361S75.2Confident83.2Confident47 Ų4768.3 Ų68.333%0.32935%0.354SS..  trans-52130.3174.6-167.40000111.3E363 I427S361-E363 PolarHBondContact OG-N 2.61Å; S361-E363 PolarHBondContact OG-O 2.76Å; S361-I427 PolarHBondContact N-O 3.34Å
362R65.1Low83.3Confident225 Ų22570.7 Ų70.785%0.84936%0.359SS*.  trans-89.6-23.4172.4-66.7-175.8179.5-172.70.8112.4M360 A364M360-R362 PolarHBondContact O-N 3.09Å; R362-A364 PolarHBondContact O-N 3.05Å
363E68.1Low83.5Confident169 Ų16966.4 Ų66.479%0.7934%0.339SS*.SBendtrans-80116.9177.6-68.2-177.2-173.200109S361S361-E363 PolarHBondContact OG-N 2.61Å; S361-E363 PolarHBondContact OG-O 2.76Å
364A67.4Low83.7Confident42 Ų4267 Ų6735%0.34734%0.337SS..PPolyproline II helixtrans-83.8127.817700000109.1R362 Y370R362-A364 PolarHBondContact O-N 3.05Å; A364-Y370 HydrophobicContact CB-CD1 4.19Å
365P78.7Confident83.7Confident27 Ų2768.1 Ų68.118%0.17534%0.344CS..PPolyproline II helixtrans-60.5164169.726.2-33.5000110.9I367 Y370 V479 M480P365-I367 HydrophobicContact CB-CD1 4.18Å; P365-I367 HydrophobicContact CB-CG1 4.32Å; P365-I367 HydrophobicContact CG-CD1 3.82Å; P365-I367 HydrophobicContact CG-CG1 4.28Å; P365-I367 PolarHBondContact O-N 2.7Å; P365-Y370 HydrophobicContact CG-CD1 4.18Å; P365-Y370 HydrophobicContact CG-CD2 3.61Å; P365-Y370 HydrophobicContact CG-CE1 4.07Å; P365-Y370 HydrophobicContact CG-CE2 3.5Å; P365-Y370 HydrophobicContact CG-CG 3.95Å; P365-V479 HydrophobicContact CB-CG2 4.16Å; P365-V479 HydrophobicContact CG-CG2 4.24Å; P365-M480 HydrophobicContact CB-SD 3.66Å
366Q77.9Confident83.5Confident147 Ų14765.9 Ų65.969%0.68734%0.337SS*.SBendtrans-73.351.4178.5-62.4-66-27.200112S415Q366-S415 VanDerWaalsContact O-CB 3.26Å; Q366-S415 WeakPolarHBondContact O-CB 3.45Å; Q366-S415 PolarHBondContact O-OG 3.28Å
367I78.9Confident83.2Confident15 Ų1568.6 Ų68.68%0.07737%0.365CS..  trans-108.6130.7176.9-63.1167.2000108.2P365 G369 Y370 L419 M480P365-I367 HydrophobicContact CB-CD1 4.18Å; P365-I367 HydrophobicContact CB-CG1 4.32Å; P365-I367 HydrophobicContact CG-CD1 3.82Å; P365-I367 HydrophobicContact CG-CG1 4.28Å; P365-I367 PolarHBondContact O-N 2.7Å; I367-G369 PolarHBondContact O-N 3.06Å; I367-Y370 HydrophobicContact CB-CD2 4.17Å; I367-Y370 HydrophobicContact CD1-CD2 3.87Å; I367-Y370 HydrophobicContact CD1-CE2 4.18Å; I367-Y370 HydrophobicContact CG2-CD2 4.46Å; I367-Y370 PolarHBondContact O-N 2.93Å; I367-L419 HydrophobicContact CD1-CD1 3.76Å; I367-L419 HydrophobicContact CG1-CD1 4.43Å; I367-L419 HydrophobicContact CG2-CG 4.43Å; I367-M480 HydrophobicContact CD1-CE 4.25Å; I367-M480 HydrophobicContact CD1-SD 3.49Å; I367-M480 WeakPolarHBondContact CD1-SD 3.22Å; I367-M480 HydrophobicContact CG1-CE 3.75Å; I367-M480 HydrophobicContact CG1-SD 3.51Å; I367-M480 VanDerWaalsContact CG1-SD 3.51Å
368K78.6Confident83Confident129 Ų12969 Ų6956%0.56137%0.37SS*.THydrogen-bonded Turntrans-67.7122.6177.7-174.4178.7177.3-178.50110I417K368-I417 PolarHBondContact N-O 3.38Å
369G77.7Confident82.6Confident69 Ų6970 Ų7071%0.71138%0.38SS*.THydrogen-bonded Turntrans7718.4176.800000115.2I367 R371I367-G369 PolarHBondContact O-N 3.06Å; G369-R371 PolarHBondContact O-N 2.93Å
370Y85.5Confident82.6Confident32 Ų3271 Ų7113%0.12538%0.384CS..  trans-52.8121.6176.7-167.9-98.6000111.8A364 P365 I367 E424 L425 H426A364-Y370 HydrophobicContact CB-CD1 4.19Å; P365-Y370 HydrophobicContact CG-CD1 4.18Å; P365-Y370 HydrophobicContact CG-CD2 3.61Å; P365-Y370 HydrophobicContact CG-CE1 4.07Å; P365-Y370 HydrophobicContact CG-CE2 3.5Å; P365-Y370 HydrophobicContact CG-CG 3.95Å; I367-Y370 HydrophobicContact CB-CD2 4.17Å; I367-Y370 HydrophobicContact CD1-CD2 3.87Å; I367-Y370 HydrophobicContact CD1-CE2 4.18Å; I367-Y370 HydrophobicContact CG2-CD2 4.46Å; I367-Y370 PolarHBondContact O-N 2.93Å; Y370-E424 WeakPolarHBondContact CA-OE1 2.96Å; Y370-E424 HydrophobicContact CD2-CG 3.74Å; Y370-E424 WeakPolarHBondContact CD2-OE1 3.2Å; Y370-E424 HydrophobicContact CE2-CG 3.6Å; Y370-E424 WeakPolarHBondContact CE2-OE1 3.4Å; Y370-L425 PolarHBondContact OH-O 2.81Å; Y370-H426 AromaticContact CE1-CE1 3.83Å; Y370-H426 AromaticContact CE1-ND1 3.74Å; Y370-H426 AromaticContact CE2-CE1 3.83Å; Y370-H426 AromaticContact CZ-CE1 3.45Å; Y370-H426 VanDerWaalsContact CZ-CE1 3.45Å; Y370-H426 AromaticContact CZ-ND1 3.31Å; Y370-H426 VanDerWaalsContact CZ-ND1 3.31Å; Y370-H426 PolarHBondContact OH-CE1 3.07Å; Y370-H426 PolarHBondContact OH-ND1 3.45Å
371R88.1Confident82.8Confident28 Ų2872.8 Ų72.811%0.10639%0.391CS..  trans-77.2150.3-177.5-66.5177.7-65.9150.88.7110.1G369 F373 E404 V421 E424 H426 I452G369-R371 PolarHBondContact O-N 2.93Å; R371-F373 HydrophobicContact CB-CE2 3.6Å; R371-F373 HydrophobicContact CB-CZ 3.78Å; R371-E404 VanDerWaalsContact CD-OE1 3.27Å; R371-E404 WeakPolarHBondContact CD-OE1 3.38Å; R371-V421 PolarHBondContact NH2-O 3.42Å; R371-E424 IonicContact CZ-OE2 2.66Å; R371-E424 PolarHBondContact N-OE1 2.75Å; R371-E424 IonicContact NE-OE2 2.7Å; R371-E424 PolarHBondContact NE-OE2 2.94Å; R371-E424 IonicContact NH2-OE2 3.38Å; R371-E424 PolarHBondContact NH2-OE2 2.98Å; R371-H426 PolarHBondContact O-CE1 3.28Å; R371-H426 VanDerWaalsContact O-CE1 3.3Å; R371-I452 PolarHBondContact NH1-O 3.28Å; R371-I452 VanDerWaalsContact NH1-O 3.17Å; R371-I452 PolarHBondContact NH2-O 3.34Å; R371-I452 VanDerWaalsContact NH2-O 3.11Å
372R87.8Confident83.6Confident111 Ų11173.3 Ų73.342%0.41939%0.39SS..  trans-121144.8177.7-65.7-175.8-175173.90.1109.9Q405R372-Q405 HydrophobicContact CB-CB 4.18Å; R372-Q405 PolarHBondContact O-N 3.41Å
373F90.3Very high84.7Confident11 Ų1162.6 Ų62.65%0.04835%0.35CS..EExtended strand (participates in β ladder)trans-132137.7-174.8-61.3-86.9000110.7T333 R371 R403 E404 H426 I452T333-F373 HydrophobicContact CG2-CD1 4.18Å; T333-F373 HydrophobicContact CG2-CE1 3.72Å; R371-F373 HydrophobicContact CB-CE2 3.6Å; R371-F373 HydrophobicContact CB-CZ 3.78Å; F373-R403 WeakPolarHBondContact CA-O 3.42Å; F373-E404 HydrophobicContact CD1-CB 3.97Å; F373-E404 HydrophobicContact CD1-CG 4.36Å; F373-E404 HydrophobicContact CE1-CB 3.7Å; F373-E404 HydrophobicContact CE1-CG 3.87Å; F373-E404 HydrophobicContact CZ-CG 4.35Å; F373-H426 AromaticContact CD2-CE1 3.92Å; F373-H426 AromaticContact CE2-CE1 3.6Å; F373-H426 AromaticContact CE2-NE2 3.49Å; F373-H426 WeakPolarHBondContact CE2-NE2 3.14Å; F373-I452 HydrophobicContact CB-CD1 4.21Å; F373-I452 HydrophobicContact CD1-CD1 4.28Å; F373-I452 HydrophobicContact CD1-CG2 3.93Å; F373-I452 HydrophobicContact CD2-CD1 3.37Å; F373-I452 HydrophobicContact CE1-CB 4.31Å; F373-I452 HydrophobicContact CE1-CG2 3.54Å; F373-I452 HydrophobicContact CE2-CB 4.09Å; F373-I452 HydrophobicContact CE2-CD1 3.73Å; F373-I452 HydrophobicContact CE2-CG2 4.2Å; F373-I452 HydrophobicContact CG-CD1 3.68Å; F373-I452 HydrophobicContact CG-CG2 4.42Å; F373-I452 HydrophobicContact CZ-CB 3.97Å; F373-I452 HydrophobicContact CZ-CD1 4.32Å; F373-I452 HydrophobicContact CZ-CG2 3.7Å
374N90.4Very high85.7Confident80 Ų8054.8 Ų54.843%0.42831%0.314SS..EExtended strand (participates in β ladder)trans-97.4136.4171-67-35.7000109.3L402 R403N374-L402 WeakPolarHBondContact O-CA 3.36Å; N374-R403 PolarHBondContact N-O 3.29Å; N374-R403 PolarHBondContact O-N 3.37Å
375V91.6Very high86.5Confident27 Ų2754.7 Ų54.716%0.16431%0.307CS..EExtended strand (participates in β ladder)trans-81.5126.9170.4-1730000108.3V358 M360 L400 L402V358-V375 HydrophobicContact CG1-CG1 4.2Å; V358-V375 HydrophobicContact CG1-CG2 4.39Å; M360-V375 HydrophobicContact CG-CG2 3.75Å; V375-L400 HydrophobicContact CG1-CB 4.47Å; V375-L400 HydrophobicContact CG1-CD2 3.94Å; V375-L402 HydrophobicContact CB-CD2 4.43Å; V375-L402 HydrophobicContact CG2-CD2 3.85Å
376L89.2Confident86.1Confident72 Ų7257.6 Ų57.638%0.37733%0.333SS..EExtended strand (participates in β ladder)trans-116.5160.7176.9-59.2179.6000110L400 S401 R403L376-L400 WeakPolarHBondContact O-CA 3.46Å; L376-S401 PolarHBondContact N-O 2.93Å; L376-S401 PolarHBondContact O-N 3.24Å; L376-R403 HydrophobicContact CD1-CB 3.6Å; L376-R403 HydrophobicContact CD1-CG 4.41Å; L376-R403 HydrophobicContact CG-CB 4.24Å
377G88.7Confident85.7Confident57 Ų5753.1 Ų53.159%0.58831%0.312SS*.EExtended strand (participates in β ladder)trans100.2-149-176.600000111.9A379G377-A379 VanDerWaalsContact C-N 3.34Å; G377-A379 PolarHBondContact O-N 3.3Å
378T89.3Confident85.1Confident81 Ų8153.3 Ų53.350%0.49731%0.314SS..  trans-80.180.4179.7-50.80000110.2T380 F397 L400T378-T380 WeakPolarHBondContact CG2-O 3.48Å; T378-T380 PolarHBondContact O-N 3.19Å; T378-F397 WeakPolarHBondContact O-CD1 3.4Å; T378-L400 WeakPolarHBondContact O-CD2 3.33Å
379A87.1Confident84.4Confident35 Ų3556.4 Ų56.429%0.28934%0.336SS..  trans-69.1-12.5-177.400000114.1N357 V358 G377N357-A379 CarbonylContact C-O 3.56Å; N357-A379 WeakPolarHBondContact CA-O 3.28Å; V358-A379 PolarHBondContact N-O 3.23Å; G377-A379 VanDerWaalsContact C-N 3.34Å; G377-A379 PolarHBondContact O-N 3.3Å
380T91.3Very high83.7Confident63 Ų6355.6 Ų55.639%0.38732%0.32SS..EExtended strand (participates in β ladder)trans-124.8131.7177.2-52.10000110.3K355 V356 N357 T378K355-T380 HydrophobicContact CB-CG2 4.02Å; K355-T380 HydrophobicContact CD-CG2 4.4Å; V356-T380 CarbonylContact O-C 3.3Å; V356-T380 VanDerWaalsContact O-CA 3.24Å; V356-T380 WeakPolarHBondContact O-CA 3.34Å; N357-T380 WeakPolarHBondContact OD1-CB 3.39Å; N357-T380 WeakPolarHBondContact OD1-CG2 3.37Å; N357-T380 PolarHBondContact OD1-OG1 2.87Å; T378-T380 WeakPolarHBondContact CG2-O 3.48Å; T378-T380 PolarHBondContact O-N 3.19Å
381K92.8Very high83.1Confident61 Ų6155 Ų5527%0.26532%0.324SS..EExtended strand (participates in β ladder)trans-139.8140.8178.9-175.672.9175.1-178.10110.3V356 E387 A395 D396 F397V356-K381 PolarHBondContact N-O 3.02Å; V356-K381 PolarHBondContact O-N 3.28Å; K381-E387 WeakPolarHBondContact CE-OE1 3.38Å; K381-E387 IonicContact NZ-OE1 3.11Å; K381-E387 PolarHBondContact NZ-OE1 3.48Å; K381-E387 IonicContact NZ-OE2 2.82Å; K381-A395 HydrophobicContact CB-CB 4.39Å; K381-A395 HydrophobicContact CG-CB 4.14Å; K381-D396 WeakPolarHBondContact CE-O 3.4Å; K381-F397 HydrophobicContact CB-CD1 3.9Å; K381-F397 HydrophobicContact CB-CE1 3.34Å; K381-F397 HydrophobicContact CB-CE2 4.14Å; K381-F397 HydrophobicContact CB-CG 4.49Å; K381-F397 HydrophobicContact CB-CZ 3.49Å; K381-F397 VanDerWaalsContact CB-CZ 3.49Å; K381-F397 HydrophobicContact CG-CE1 4.48Å
382D91.1Very high82.8Confident58 Ų5853.7 Ų53.731%0.3132%0.319SS..EExtended strand (participates in β ladder)trans-79.9135.6177.9-56.3-25.4000110.4M354 K355 N384M354-D382 WeakPolarHBondContact O-CA 3.44Å; K355-D382 WeakPolarHBondContact CD-OD1 3.37Å; K355-D382 VanDerWaalsContact CE-OD1 3.3Å; K355-D382 WeakPolarHBondContact CE-OD1 3.45Å; K355-D382 VanDerWaalsContact CG-OD1 3.3Å; K355-D382 WeakPolarHBondContact CG-OD1 3.49Å; D382-N384 PolarHBondContact O-ND2 2.91Å; D382-N384 VanDerWaalsContact O-ND2 3.13Å
383L89.2Confident82.8Confident0 Ų048.4 Ų48.40%030%0.299CS..  trans-78.2124.6177.8-154.5122.3000109.4F314 L343 H352 M354 V356 M393 V394 A395F314-L383 HydrophobicContact CE2-CD1 4.05Å; L343-L383 HydrophobicContact CB-CD2 4.01Å; L343-L383 HydrophobicContact CD2-CD2 4.45Å; H352-L383 WeakPolarHBondContact CA-O 3.2Å; H352-L383 PolarHBondContact N-O 3.04Å; M354-L383 HydrophobicContact CB-CB 4.11Å; M354-L383 PolarHBondContact O-N 3.42Å; V356-L383 HydrophobicContact CG2-CB 4.46Å; V356-L383 HydrophobicContact CG2-CD1 3.67Å; L383-M393 HydrophobicContact CD2-CB 3.6Å; L383-M393 HydrophobicContact CD2-CE 3.5Å; L383-M393 VanDerWaalsContact CD2-CE 3.5Å; L383-M393 HydrophobicContact CD2-CG 4.31Å; L383-M393 HydrophobicContact CD2-SD 4.11Å; L383-V394 WeakPolarHBondContact CA-O 3.21Å; L383-A395 HydrophobicContact CD1-CB 4.25Å
384N88.3Confident82.9Confident6 Ų647.9 Ų47.93%0.03230%0.297CS..BIsolated β-bridgetrans-143.7161.4-170.568.678.9000112.9N351 H352 D382 A386 E387 V394N351-N384 VanDerWaalsContact OD1-CA 3.25Å; N351-N384 WeakPolarHBondContact OD1-CA 3.18Å; H352-N384 WeakPolarHBondContact CE1-CB 3.45Å; D382-N384 PolarHBondContact O-ND2 2.91Å; D382-N384 VanDerWaalsContact O-ND2 3.13Å; N384-A386 PolarHBondContact OD1-N 3.33Å; N384-E387 VanDerWaalsContact ND2-CD 3.32Å; N384-E387 PolarHBondContact ND2-OE2 3.31Å; N384-E387 WeakPolarHBondContact OD1-CB 3.4Å; N384-E387 VanDerWaalsContact OD1-CG 3.32Å; N384-E387 WeakPolarHBondContact OD1-CG 3.33Å; N384-E387 PolarHBondContact OD1-N 2.82Å; N384-V394 PolarHBondContact N-O 2.99Å; N384-V394 PolarHBondContact O-N 3.41Å
385M84.3Confident83.1Confident39 Ų3944.1 Ų44.119%0.19228%0.276CS..SBendtrans-91.4-14.2177.3-60.7-170.8-175.500114.1K346 F347 N351 M393K346-M385 HydrophobicContact CD-CE 4.47Å; K346-M385 HydrophobicContact CG-CE 3.77Å; F347-M385 WeakPolarHBondContact O-CE 3.46Å; N351-M385 PolarHBondContact OD1-N 3.23Å; M385-M393 HydrophobicContact CE-CG 3.62Å; M385-M393 HydrophobicContact CE-SD 3.51Å; M385-M393 VanDerWaalsContact CE-SD 3.51Å; M385-M393 HydrophobicContact CG-CG 3.92Å; M385-M393 HydrophobicContact CG-SD 3.31Å; M385-M393 WeakPolarHBondContact CG-SD 3.48Å; M385-M393 HydrophobicContact SD-SD 4.29Å
386A70.8Confident83.1Confident88 Ų8843.6 Ų43.673%0.72727%0.273SS*.THydrogen-bonded Turntrans-75.8-28.8-171.600000113.2N384 S388N384-A386 PolarHBondContact OD1-N 3.33Å; A386-S388 VanDerWaalsContact C-N 3.27Å; A386-S388 PolarHBondContact O-N 3.17Å
387E68.4Low83.3Confident54 Ų5440.4 Ų40.425%0.25226%0.256SS..THydrogen-bonded Turntrans-82.70.8-177.1-69.6174.5166.100113.7K340 K381 N384 D396K340-E387 PolarHBondContact NZ-O 3.36Å; K381-E387 WeakPolarHBondContact CE-OE1 3.38Å; K381-E387 IonicContact NZ-OE1 3.11Å; K381-E387 PolarHBondContact NZ-OE1 3.48Å; K381-E387 IonicContact NZ-OE2 2.82Å; N384-E387 VanDerWaalsContact ND2-CD 3.32Å; N384-E387 PolarHBondContact ND2-OE2 3.31Å; N384-E387 WeakPolarHBondContact OD1-CB 3.4Å; N384-E387 VanDerWaalsContact OD1-CG 3.32Å; N384-E387 WeakPolarHBondContact OD1-CG 3.33Å; N384-E387 PolarHBondContact OD1-N 2.82Å; E387-D396 WeakPolarHBondContact OE2-CB 3.33Å; E387-D396 PolarHBondContact OE2-N 3.44Å
388S67.8Low83.4Confident18 Ų1844.6 Ų44.613%0.12625%0.254CS..  trans-111.5130177.7-178.70000112A386 S390 G391 G392A386-S388 VanDerWaalsContact C-N 3.27Å; A386-S388 PolarHBondContact O-N 3.17Å; S388-S390 PolarHBondContact O-N 2.72Å; S388-S390 PolarHBondContact OG-N 2.81Å; S388-S390 PolarHBondContact OG-OG 3.49Å; S388-G391 PolarHBondContact O-N 2.84Å; S388-G391 PolarHBondContact OG-N 3.08Å; S388-G392 WeakPolarHBondContact CB-O 3.32Å; S388-G392 PolarHBondContact OG-N 3.3Å
389L62.1Low83.5Confident194 Ų19446.1 Ų46.1100%1.01626%0.255SS*.THydrogen-bonded Turntrans-65.5-27.9173.3-70.4166.6000112.3G391L389-G391 VanDerWaalsContact C-N 3.33Å
390S62.9Low83.8Confident52 Ų5244.5 Ų44.536%0.36424%0.241SC..THydrogen-bonded Turntrans-90.52.8173.9650000113D254 S388 G392D254-S390 PolarHBondContact OD1-OG 3.31Å; S388-S390 PolarHBondContact O-N 2.72Å; S388-S390 PolarHBondContact OG-N 2.81Å; S388-S390 PolarHBondContact OG-OG 3.49Å; S390-G392 PolarHBondContact O-N 3.29Å
391G74Confident83.9Confident21 Ų2142.6 Ų42.622%0.21623%0.231CC..  trans69.118.1-177.500000114.2K346 S388 L389K346-G391 WeakPolarHBondContact CE-O 3.49Å; K346-G391 PolarHBondContact NZ-O 3.22Å; S388-G391 PolarHBondContact O-N 2.84Å; S388-G391 PolarHBondContact OG-N 3.08Å; L389-G391 VanDerWaalsContact C-N 3.33Å
392G80.9Confident84Confident0 Ų039.7 Ų39.70%022%0.218CC..  trans-66.3156.2175.800000113.4E257 S388 S390 V394E257-G392 WeakPolarHBondContact OE2-CA 3.42Å; S388-G392 WeakPolarHBondContact CB-O 3.32Å; S388-G392 PolarHBondContact OG-N 3.3Å; S390-G392 PolarHBondContact O-N 3.29Å; G392-V394 PolarHBondContact O-N 3.07Å
393M88.6Confident84Confident0 Ų044.1 Ų44.10%023%0.231CC..EExtended strand (participates in β ladder)trans-82.399.7-178.7-85.8-66.7-86.700111.2R342 L343 K346 L350 L383 M385R342-M393 WeakPolarHBondContact CA-O 3.42Å; L343-M393 HydrophobicContact CB-CB 4.3Å; L343-M393 PolarHBondContact N-O 3.44Å; K346-M393 HydrophobicContact CG-CG 4.13Å; L350-M393 VanDerWaalsContact C-CE 3.47Å; L350-M393 HydrophobicContact CB-CE 3.74Å; L350-M393 VanDerWaalsContact O-CE 3.31Å; L350-M393 WeakPolarHBondContact O-CE 3.34Å; L383-M393 HydrophobicContact CD2-CB 3.6Å; L383-M393 HydrophobicContact CD2-CE 3.5Å; L383-M393 VanDerWaalsContact CD2-CE 3.5Å; L383-M393 HydrophobicContact CD2-CG 4.31Å; L383-M393 HydrophobicContact CD2-SD 4.11Å; M385-M393 HydrophobicContact CE-CG 3.62Å; M385-M393 HydrophobicContact CE-SD 3.51Å; M385-M393 VanDerWaalsContact CE-SD 3.51Å; M385-M393 HydrophobicContact CG-CG 3.92Å; M385-M393 HydrophobicContact CG-SD 3.31Å; M385-M393 WeakPolarHBondContact CG-SD 3.48Å; M385-M393 HydrophobicContact SD-SD 4.29Å
394V92.6Very high84.1Confident0 Ų048 Ų480%025%0.249CC..EExtended strand (participates in β ladder)trans-130145.6-163.4171.90000112.1K340 T341 R342 L383 N384 G392 D396K340-V394 HydrophobicContact CD-CG1 3.48Å; K340-V394 VanDerWaalsContact CD-CG1 3.48Å; K340-V394 HydrophobicContact CG-CG1 3.25Å; T341-V394 CarbonylContact O-C 3.45Å; T341-V394 VanDerWaalsContact O-CA 3.32Å; T341-V394 WeakPolarHBondContact O-CA 3.41Å; R342-V394 HydrophobicContact CB-CG2 4.12Å; R342-V394 HydrophobicContact CG-CG2 3.91Å; L383-V394 WeakPolarHBondContact CA-O 3.21Å; N384-V394 PolarHBondContact N-O 2.99Å; N384-V394 PolarHBondContact O-N 3.41Å; G392-V394 PolarHBondContact O-N 3.07Å; V394-D396 HydrophobicContact CG1-CB 4.49Å
395A93.3Very high84Confident0 Ų051.6 Ų51.60%027%0.266CS..EExtended strand (participates in β ladder)trans-116110.4161.800000109.2T341 V356 K381 L383 F397T341-A395 PolarHBondContact N-O 3.22Å; T341-A395 PolarHBondContact O-N 3.38Å; V356-A395 HydrophobicContact CB-CB 4.2Å; V356-A395 HydrophobicContact CG2-CB 3.83Å; K381-A395 HydrophobicContact CB-CB 4.39Å; K381-A395 HydrophobicContact CG-CB 4.14Å; L383-A395 HydrophobicContact CD1-CB 4.25Å; A395-F397 HydrophobicContact CB-CE2 3.96Å
396D93Very high83.5Confident16 Ų1659.2 Ų59.29%0.08630%0.297CS..EExtended strand (participates in β ladder)trans-96.3108.4179.8-171.31.1000110.7K381 E387 V394 R398K381-D396 WeakPolarHBondContact CE-O 3.4Å; E387-D396 WeakPolarHBondContact OE2-CB 3.33Å; E387-D396 PolarHBondContact OE2-N 3.44Å; V394-D396 HydrophobicContact CG1-CB 4.49Å; D396-R398 WeakPolarHBondContact OD1-CG 3.29Å; D396-R398 IonicContact OD1-NE 3.07Å; D396-R398 IonicContact OD2-CZ 2.77Å; D396-R398 VanDerWaalsContact OD2-CZ 3.27Å; D396-R398 IonicContact OD2-NE 2.71Å; D396-R398 PolarHBondContact OD2-NE 2.9Å; D396-R398 IonicContact OD2-NH2 3.98Å; D396-R398 PolarHBondContact OD2-NH2 2.88Å
397F93.9Very high83Confident5 Ų558.9 Ų58.92%0.02229%0.29CS..EExtended strand (participates in β ladder)trans-95.5110.8175.3-63.9-93.9000109.1S338 V339 V356 V358 T378 K381 A395 L400 F430S338-F397 CarbonylContact C-O 3.59Å; S338-F397 WeakPolarHBondContact CA-O 3.01Å; S338-F397 WeakPolarHBondContact CB-O 3.32Å; V339-F397 HydrophobicContact CG1-CB 3.85Å; V339-F397 HydrophobicContact CG1-CD2 4.23Å; V339-F397 HydrophobicContact CG1-CG 4.33Å; V339-F397 PolarHBondContact N-O 2.91Å; V339-F397 WeakPolarHBondContact O-CB 3.21Å; V339-F397 PolarHBondContact O-N 3.4Å; V356-F397 HydrophobicContact CB-CE2 4.23Å; V356-F397 HydrophobicContact CB-CZ 3.93Å; V356-F397 HydrophobicContact CG1-CE2 3.91Å; V356-F397 HydrophobicContact CG1-CZ 3.83Å; V358-F397 HydrophobicContact CG2-CD1 3.75Å; V358-F397 HydrophobicContact CG2-CD2 4.31Å; V358-F397 HydrophobicContact CG2-CE1 3.32Å; V358-F397 HydrophobicContact CG2-CE2 3.95Å; V358-F397 HydrophobicContact CG2-CG 4.23Å; V358-F397 HydrophobicContact CG2-CZ 3.42Å; V358-F397 VanDerWaalsContact CG2-CZ 3.42Å; T378-F397 WeakPolarHBondContact O-CD1 3.4Å; K381-F397 HydrophobicContact CB-CD1 3.9Å; K381-F397 HydrophobicContact CB-CE1 3.34Å; K381-F397 HydrophobicContact CB-CE2 4.14Å; K381-F397 HydrophobicContact CB-CG 4.49Å; K381-F397 HydrophobicContact CB-CZ 3.49Å; K381-F397 VanDerWaalsContact CB-CZ 3.49Å; K381-F397 HydrophobicContact CG-CE1 4.48Å; A395-F397 HydrophobicContact CB-CE2 3.96Å; F397-L400 HydrophobicContact CB-CD1 3.68Å; F397-L400 HydrophobicContact CB-CG 3.89Å; F397-L400 HydrophobicContact CD1-CD1 4.23Å; F397-L400 HydrophobicContact CD1-CD2 4.08Å; F397-L400 HydrophobicContact CD1-CG 4.35Å; F397-L400 HydrophobicContact CG-CD1 4.09Å; F397-L400 HydrophobicContact CG-CG 4.48Å; F397-F430 HydrophobicContact CD2-CE1 4.4Å; F397-F430 HydrophobicContact CE2-CD1 4.19Å; F397-F430 HydrophobicContact CE2-CE1 4.37Å
398R90.3Very high82Confident145 Ų14559.7 Ų59.755%0.54731%0.313SS..EExtended strand (participates in β ladder)trans-103.6-18.7-177.8-61.4-175.2-175.4173.54.8115.3F337 D396F337-R398 CarbonylContact O-C 3.53Å; D396-R398 WeakPolarHBondContact OD1-CG 3.29Å; D396-R398 IonicContact OD1-NE 3.07Å; D396-R398 IonicContact OD2-CZ 2.77Å; D396-R398 VanDerWaalsContact OD2-CZ 3.27Å; D396-R398 IonicContact OD2-NE 2.71Å; D396-R398 PolarHBondContact OD2-NE 2.9Å; D396-R398 IonicContact OD2-NH2 3.98Å; D396-R398 PolarHBondContact OD2-NH2 2.88Å
399H90.2Very high81.1Confident113 Ų11363.2 Ų63.252%0.52335%0.352SS..EExtended strand (participates in β ladder)trans-125.738.5-168.4-56-60000112.5Q336Q336-H399 PolarHBondContact OE1-ND1 3.12Å
400L94.4Very high80.4Confident1 Ų157.8 Ų57.81%0.00534%0.343CS..EExtended strand (participates in β ladder)trans-83.1144.9172.8-62.2177.6000109.8Q336 F337 V339 V358 V375 L376 T378 F397Q336-L400 CarbonylContact C-O 3.58Å; Q336-L400 WeakPolarHBondContact CA-O 3.4Å; F337-L400 HydrophobicContact CD1-CB 4.02Å; F337-L400 WeakPolarHBondContact CD1-O 3.07Å; F337-L400 HydrophobicContact CD2-CB 4.29Å; F337-L400 HydrophobicContact CE1-CB 3.46Å; F337-L400 VanDerWaalsContact CE1-CB 3.46Å; F337-L400 HydrophobicContact CE2-CB 3.82Å; F337-L400 HydrophobicContact CE2-CD1 3.79Å; F337-L400 HydrophobicContact CE2-CG 4.47Å; F337-L400 HydrophobicContact CG-CB 4.39Å; F337-L400 HydrophobicContact CZ-CB 3.37Å; F337-L400 HydrophobicContact CZ-CD1 3.86Å; F337-L400 HydrophobicContact CZ-CG 4.28Å; F337-L400 PolarHBondContact N-O 3.15Å; F337-L400 PolarHBondContact O-N 3.15Å; V339-L400 HydrophobicContact CG1-CD1 3.64Å; V358-L400 HydrophobicContact CG1-CD1 4.22Å; V358-L400 HydrophobicContact CG2-CD1 4.21Å; V375-L400 HydrophobicContact CG1-CB 4.47Å; V375-L400 HydrophobicContact CG1-CD2 3.94Å; L376-L400 WeakPolarHBondContact O-CA 3.46Å; T378-L400 WeakPolarHBondContact O-CD2 3.33Å; F397-L400 HydrophobicContact CB-CD1 3.68Å; F397-L400 HydrophobicContact CB-CG 3.89Å; F397-L400 HydrophobicContact CD1-CD1 4.23Å; F397-L400 HydrophobicContact CD1-CD2 4.08Å; F397-L400 HydrophobicContact CD1-CG 4.35Å; F397-L400 HydrophobicContact CG-CD1 4.09Å; F397-L400 HydrophobicContact CG-CG 4.48Å
401S93.5Very high79.7Confident24 Ų2458.4 Ų58.417%0.16836%0.358CS..EExtended strand (participates in β ladder)trans-138.2157.8169.458.50000111V335 L376V335-S401 WeakPolarHBondContact O-CB 3.5Å; L376-S401 PolarHBondContact N-O 2.93Å; L376-S401 PolarHBondContact O-N 3.24Å
402L93.8Very high78.4Confident0 Ų067.9 Ų67.90%039%0.393CS..EExtended strand (participates in β ladder)trans-111.9133.6-179.3-62.1176.8000110.5L331 T333 N334 F337 M360 N374 V375 I452L331-L402 HydrophobicContact CB-CD1 4.13Å; L331-L402 HydrophobicContact CD1-CD1 3.67Å; T333-L402 CarbonylContact C-O 3.54Å; T333-L402 WeakPolarHBondContact CA-O 3.29Å; N334-L402 PolarHBondContact N-O 3.21Å; F337-L402 HydrophobicContact CD1-CG 4.47Å; F337-L402 HydrophobicContact CE1-CD1 4.29Å; F337-L402 HydrophobicContact CE1-CD2 4.02Å; F337-L402 HydrophobicContact CE1-CG 3.68Å; F337-L402 HydrophobicContact CZ-CD2 4.22Å; F337-L402 HydrophobicContact CZ-CG 4.27Å; M360-L402 HydrophobicContact CE-CD1 3.61Å; M360-L402 HydrophobicContact CE-CD2 3.55Å; M360-L402 HydrophobicContact CE-CG 4.25Å; N374-L402 WeakPolarHBondContact O-CA 3.36Å; V375-L402 HydrophobicContact CB-CD2 4.43Å; V375-L402 HydrophobicContact CG2-CD2 3.85Å; L402-I452 HydrophobicContact CD1-CD1 3.71Å; L402-I452 HydrophobicContact CD1-CG1 3.94Å; L402-I452 HydrophobicContact CD1-CG2 4.4Å
403R91.6Very high76.8Confident151 Ų15169.7 Ų69.757%0.5741%0.412SS*.EExtended strand (participates in β ladder)trans-122.6129172.4-172.5176.5-176-1774110.1F373 N374 L376 Q405F373-R403 WeakPolarHBondContact CA-O 3.42Å; N374-R403 PolarHBondContact N-O 3.29Å; N374-R403 PolarHBondContact O-N 3.37Å; L376-R403 HydrophobicContact CD1-CB 3.6Å; L376-R403 HydrophobicContact CD1-CG 4.41Å; L376-R403 HydrophobicContact CG-CB 4.24Å; R403-Q405 PolarHBondContact O-N 3.13Å
404E90.8Very high75Confident80 Ų8078.2 Ų78.237%0.37446%0.455SS..EExtended strand (participates in β ladder)trans-63.9131.1175.8-168.4171.5-176.900110.5R371 F373 K406R371-E404 VanDerWaalsContact CD-OE1 3.27Å; R371-E404 WeakPolarHBondContact CD-OE1 3.38Å; F373-E404 HydrophobicContact CD1-CB 3.97Å; F373-E404 HydrophobicContact CD1-CG 4.36Å; F373-E404 HydrophobicContact CE1-CB 3.7Å; F373-E404 HydrophobicContact CE1-CG 3.87Å; F373-E404 HydrophobicContact CZ-CG 4.35Å; E404-K406 PolarHBondContact O-N 3.01Å
405Q85.8Confident73.1Confident83 Ų8379.2 Ų79.239%0.38846%0.462SS..  trans-79112.6173.8-172.2176900108R372 R403 S407R372-Q405 HydrophobicContact CB-CB 4.18Å; R372-Q405 PolarHBondContact O-N 3.41Å; R403-Q405 PolarHBondContact O-N 3.13Å; Q405-S407 VanDerWaalsContact C-N 3.33Å; Q405-S407 PolarHBondContact O-N 3.43Å
406K75.2Confident71.4Confident198 Ų19888.6 Ų88.686%0.86151%0.506SS*.  trans-68.993.6171.6-66.5-172.1178.5-173.50108.7E404 G408E404-K406 PolarHBondContact O-N 3.01Å; K406-G408 PolarHBondContact O-N 3.25Å
407S59.3Low70.3Confident82 Ų8291.1 Ų91.157%0.57352%0.519SS*.  trans-66.2117.5169.2-48.60000108.4Q405 G409Q405-S407 VanDerWaalsContact C-N 3.33Å; Q405-S407 PolarHBondContact O-N 3.43Å; S407-G409 PolarHBondContact O-N 2.73Å
408G47.3Very low69.5Low71 Ų7195.3 Ų95.373%0.73255%0.549SS*.  trans-56.9135.1157.700000108.1K406 G410K406-G408 PolarHBondContact O-N 3.25Å; G408-G410 PolarHBondContact O-N 3.02Å
409G50Low69.2Low91 Ų9189.8 Ų89.894%0.93853%0.53SS*.SBendtrans-42.1124.7-167.100000113.7S407S407-G409 PolarHBondContact O-N 2.73Å
410G47.5Very low68.9Low81 Ų8186.7 Ų86.784%0.83552%0.521SS*.  trans172.980.9-177.400000113.4G408G408-G410 PolarHBondContact O-N 3.02Å
411G47.1Very low68.6Low65 Ų6589.2 Ų89.267%0.6754%0.536SS*.  trans-166.561.717100000111G413G411-G413 PolarHBondContact O-N 3.39Å
412K46.9Very low68.4Low219 Ų21989.1 Ų89.195%0.95254%0.535SS*.  trans-66.269.4157.2-79.2-176.1174.5178.20107.9
413G46.8Very low68.3Low39 Ų3989.7 Ų89.740%0.40254%0.537SS..  trans-82.9128.8166.500000108.3G411 S415G411-G413 PolarHBondContact O-N 3.39Å; G413-S415 PolarHBondContact O-N 2.73Å
414I50.8Low68.3Low178 Ų17883 Ų8391%0.91351%0.512SS*.  trans-76.232.4178.6-54.1157.8000109.9
415S53.6Low68.4Low21 Ų2179.1 Ų79.115%0.14750%0.495CS..  trans-100.1126179.5-176.50000109.8Q366 G413 I417Q366-S415 VanDerWaalsContact O-CB 3.26Å; Q366-S415 WeakPolarHBondContact O-CB 3.45Å; Q366-S415 PolarHBondContact O-OG 3.28Å; G413-S415 PolarHBondContact O-N 2.73Å; S415-I417 VanDerWaalsContact C-N 3.26Å; S415-I417 PolarHBondContact OG-N 2.77Å
416E58Low68.8Low197 Ų19775.5 Ų75.592%0.92148%0.478SS*.  trans-77-13.1174.4-66.7-171.1158.900112.5S418E416-S418 PolarHBondContact O-N 2.93Å
417I69.2Low69.7Low70 Ų7066.5 Ų66.536%0.35944%0.439SS..  trans-81.8111.2-174.4-56.2168.1000109.6K368 S415 L419 M480 A483K368-I417 PolarHBondContact N-O 3.38Å; S415-I417 VanDerWaalsContact C-N 3.26Å; S415-I417 PolarHBondContact OG-N 2.77Å; I417-L419 HydrophobicContact CG2-CD2 4.29Å; I417-L419 HydrophobicContact CG2-CG 4.37Å; I417-M480 HydrophobicContact CD1-CE 4.39Å; I417-A483 HydrophobicContact CD1-CB 4.26Å; I417-A483 HydrophobicContact CG2-CB 3.96Å
418S77.4Confident71.4Confident92 Ų9262.6 Ų62.664%0.64341%0.411SS*.  trans-113.4118.9172.6-175.20000108.9E416E416-S418 PolarHBondContact O-N 2.93Å
419L83.2Confident73.7Confident29 Ų2961.4 Ų61.415%0.15239%0.385CS..  trans-100.2152.1175-62.3-178.8000110.4I367 I417 E423 F482I367-L419 HydrophobicContact CD1-CD1 3.76Å; I367-L419 HydrophobicContact CG1-CD1 4.43Å; I367-L419 HydrophobicContact CG2-CG 4.43Å; I417-L419 HydrophobicContact CG2-CD2 4.29Å; I417-L419 HydrophobicContact CG2-CG 4.37Å; L419-E423 HydrophobicContact CB-CB 4.35Å; L419-F482 HydrophobicContact CD1-CB 4.2Å; L419-F482 HydrophobicContact CD2-CB 4.04Å
420S85.1Confident75.8Confident49 Ų4957 Ų5734%0.34334%0.34SS..  trans-72.3159171.266.70000111.3T422 E423 E424S420-T422 PolarHBondContact O-N 3.03Å; S420-T422 PolarHBondContact OG-OG1 3.39Å; S420-E423 WeakPolarHBondContact CB-OE2 3.2Å; S420-E423 PolarHBondContact N-OE2 3.45Å; S420-E423 PolarHBondContact O-N 2.75Å; S420-E423 WeakPolarHBondContact OG-CB 3.14Å; S420-E423 WeakPolarHBondContact OG-CG 3.48Å; S420-E423 PolarHBondContact OG-OE2 3.18Å; S420-E424 PolarHBondContact O-N 2.9Å
421V86.8Confident78.1Confident53 Ų5355.6 Ų55.632%0.32131%0.314SS..THydrogen-bonded Turntrans-52.3-31.2177.7164.30000113R371R371-V421 PolarHBondContact NH2-O 3.42Å
422T89.8Confident80.4Confident22 Ų2252.8 Ų52.814%0.13528%0.284CS..THydrogen-bonded Turntrans-92-7.8-178.3520000113.8S420 I453 Q458 A462 S465S420-T422 PolarHBondContact O-N 3.03Å; S420-T422 PolarHBondContact OG-OG1 3.39Å; T422-I453 HydrophobicContact CG2-CG2 4.41Å; T422-Q458 HydrophobicContact CG2-CB 4.07Å; T422-A462 HydrophobicContact CG2-CB 4.2Å; T422-S465 WeakPolarHBondContact O-CB 3.17Å; T422-S465 PolarHBondContact O-OG 3.14Å
423E91.4Very high82.7Confident12 Ų1245.8 Ų45.86%0.05626%0.259CS..THydrogen-bonded Turntrans-105.3-11175.8-69.7167.6151.300111.8L419 S420 L425 F482 W535 K540L419-E423 HydrophobicContact CB-CB 4.35Å; S420-E423 WeakPolarHBondContact CB-OE2 3.2Å; S420-E423 PolarHBondContact N-OE2 3.45Å; S420-E423 PolarHBondContact O-N 2.75Å; S420-E423 WeakPolarHBondContact OG-CB 3.14Å; S420-E423 WeakPolarHBondContact OG-CG 3.48Å; S420-E423 PolarHBondContact OG-OE2 3.18Å; E423-L425 PolarHBondContact O-N 3.37Å; E423-F482 HydrophobicContact CB-CB 3.91Å; E423-F482 HydrophobicContact CB-CD1 4.27Å; E423-F482 HydrophobicContact CB-CD2 4.2Å; E423-F482 HydrophobicContact CB-CG 3.86Å; E423-F482 HydrophobicContact CG-CB 4.46Å; E423-F482 HydrophobicContact CG-CD1 4.02Å; E423-F482 HydrophobicContact CG-CG 4.14Å; E423-F482 WeakPolarHBondContact O-CD2 3.47Å; E423-W535 HydrophobicContact CG-CZ2 4.18Å; E423-W535 PolarHBondContact OE1-NE1 3.25Å; E423-K540 WeakPolarHBondContact OE1-CE 3.35Å; E423-K540 IonicContact OE1-NZ 2.92Å; E423-K540 PolarHBondContact OE1-NZ 2.8Å; E423-K540 IonicContact OE2-NZ 3.73Å
424E91.6Very high85Confident10 Ų1044 Ų445%0.04724%0.24CC..  trans-74.2120.9173.6-171.5-173.6-173.100111Y370 R371 S420 H426Y370-E424 WeakPolarHBondContact CA-OE1 2.96Å; Y370-E424 HydrophobicContact CD2-CG 3.74Å; Y370-E424 WeakPolarHBondContact CD2-OE1 3.2Å; Y370-E424 HydrophobicContact CE2-CG 3.6Å; Y370-E424 WeakPolarHBondContact CE2-OE1 3.4Å; R371-E424 IonicContact CZ-OE2 2.66Å; R371-E424 PolarHBondContact N-OE1 2.75Å; R371-E424 IonicContact NE-OE2 2.7Å; R371-E424 PolarHBondContact NE-OE2 2.94Å; R371-E424 IonicContact NH2-OE2 3.38Å; R371-E424 PolarHBondContact NH2-OE2 2.98Å; S420-E424 PolarHBondContact O-N 2.9Å; E424-H426 VanDerWaalsContact CD-CE1 3.48Å; E424-H426 VanDerWaalsContact CD-NE2 3.29Å; E424-H426 WeakPolarHBondContact CG-NE2 3.4Å; E424-H426 IonicContact OE1-CE1 2.78Å; E424-H426 PolarHBondContact OE1-CE1 3.11Å; E424-H426 IonicContact OE1-NE2 3.29Å; E424-H426 PolarHBondContact OE1-NE2 3.27Å; E424-H426 IonicContact OE2-NE2 2.75Å
425L93.8Very high87Confident0 Ų040 Ų400%022%0.22CC..EExtended strand (participates in β ladder)trans-104.1141.6-178.2-62.6178.6000111.4Y370 E423 P449 V451 F469 V479 F481 F482Y370-L425 PolarHBondContact OH-O 2.81Å; E423-L425 PolarHBondContact O-N 3.37Å; L425-P449 HydrophobicContact CB-CB 3.9Å; L425-P449 HydrophobicContact CD1-CB 4.06Å; L425-P449 HydrophobicContact CD2-CB 4.21Å; L425-P449 HydrophobicContact CG-CB 4.28Å; L425-V451 HydrophobicContact CD2-CG2 3.67Å; L425-F469 HydrophobicContact CD1-CD2 3.65Å; L425-F469 HydrophobicContact CD1-CE2 4.02Å; L425-F469 HydrophobicContact CD1-CG 4.28Å; L425-V479 HydrophobicContact CB-CB 4.39Å; L425-F481 HydrophobicContact CD1-CB 4.21Å; L425-F482 HydrophobicContact CD1-CD2 3.99Å; L425-F482 HydrophobicContact CD1-CE2 4.05Å; L425-F482 HydrophobicContact CD2-CE2 4.18Å; L425-F482 HydrophobicContact CG-CD2 4.1Å; L425-F482 HydrophobicContact CG-CE2 4.23Å
426H93.2Very high88.7Confident7 Ų739.9 Ų39.93%0.03222%0.218CC..EExtended strand (participates in β ladder)trans-130.6155.4178.2-57.3-84.1000111.1M360 Y370 R371 F373 E424 P449 V450 I452M360-H426 HydrophobicContact SD-CB 4.45Å; Y370-H426 AromaticContact CE1-CE1 3.83Å; Y370-H426 AromaticContact CE1-ND1 3.74Å; Y370-H426 AromaticContact CE2-CE1 3.83Å; Y370-H426 AromaticContact CZ-CE1 3.45Å; Y370-H426 VanDerWaalsContact CZ-CE1 3.45Å; Y370-H426 AromaticContact CZ-ND1 3.31Å; Y370-H426 VanDerWaalsContact CZ-ND1 3.31Å; Y370-H426 PolarHBondContact OH-CE1 3.07Å; Y370-H426 PolarHBondContact OH-ND1 3.45Å; R371-H426 PolarHBondContact O-CE1 3.28Å; R371-H426 VanDerWaalsContact O-CE1 3.3Å; F373-H426 AromaticContact CD2-CE1 3.92Å; F373-H426 AromaticContact CE2-CE1 3.6Å; F373-H426 AromaticContact CE2-NE2 3.49Å; F373-H426 WeakPolarHBondContact CE2-NE2 3.14Å; E424-H426 VanDerWaalsContact CD-CE1 3.48Å; E424-H426 VanDerWaalsContact CD-NE2 3.29Å; E424-H426 WeakPolarHBondContact CG-NE2 3.4Å; E424-H426 IonicContact OE1-CE1 2.78Å; E424-H426 PolarHBondContact OE1-CE1 3.11Å; E424-H426 IonicContact OE1-NE2 3.29Å; E424-H426 PolarHBondContact OE1-NE2 3.27Å; E424-H426 IonicContact OE2-NE2 2.75Å; H426-P449 CarbonylContact O-C 3.12Å; H426-P449 VanDerWaalsContact O-CA 3.29Å; H426-P449 WeakPolarHBondContact O-CA 3.28Å; H426-V450 HydrophobicContact CB-CG2 4.03Å; H426-V450 PolarHBondContact N-O 3.11Å; H426-V450 WeakPolarHBondContact O-CG2 3.46Å; H426-V450 PolarHBondContact O-N 3.07Å; H426-I452 HydrophobicContact CB-CD1 3.93Å
427I94.6Very high90Very high8 Ų836 Ų364%0.04120%0.198CC..  trans-122.9132.4179.3-62174.6000109.8M360 S361 Y429 P449 K477 V479M360-I427 VanDerWaalsContact SD-O 3.36Å; S361-I427 PolarHBondContact N-O 3.34Å; I427-Y429 HydrophobicContact CB-CE2 4.12Å; I427-Y429 HydrophobicContact CG2-CD1 4.48Å; I427-Y429 HydrophobicContact CG2-CD2 4.27Å; I427-Y429 HydrophobicContact CG2-CE1 4.07Å; I427-Y429 HydrophobicContact CG2-CE2 3.83Å; I427-P449 HydrophobicContact CG1-CG 4.46Å; I427-K477 HydrophobicContact CD1-CB 3.89Å; I427-K477 HydrophobicContact CD1-CG 4.25Å; I427-V479 HydrophobicContact CD1-CG1 3.65Å; I427-V479 HydrophobicContact CG1-CG1 3.83Å
428I95Very high90.8Very high0 Ų035.8 Ų35.80%021%0.213CC..EExtended strand (participates in β ladder)trans-95.6126.6172-55.7177.1000108.4P320 L331 F337 V358 M360 F430 S446 S447P320-I428 HydrophobicContact CB-CD1 4.35Å; P320-I428 HydrophobicContact CG-CD1 3.97Å; L331-I428 HydrophobicContact CD1-CD1 3.98Å; F337-I428 HydrophobicContact CE2-CD1 3.87Å; F337-I428 HydrophobicContact CZ-CD1 3.97Å; V358-I428 HydrophobicContact CG1-CG2 3.43Å; V358-I428 VanDerWaalsContact CG1-CG2 3.43Å; M360-I428 HydrophobicContact CE-CD1 3.87Å; M360-I428 HydrophobicContact CE-CG1 3.39Å; M360-I428 HydrophobicContact SD-CG1 3.69Å; I428-F430 HydrophobicContact CB-CE2 4.21Å; I428-F430 HydrophobicContact CB-CZ 4.27Å; I428-F430 HydrophobicContact CG2-CE1 4.2Å; I428-F430 HydrophobicContact CG2-CE2 3.8Å; I428-F430 HydrophobicContact CG2-CZ 3.52Å; I428-S446 CarbonylContact O-C 3.47Å; I428-S446 VanDerWaalsContact O-CA 3.32Å; I428-S446 WeakPolarHBondContact O-CA 3.43Å; I428-S447 PolarHBondContact N-OG 2.98Å; I428-S447 VanDerWaalsContact N-OG 3.15Å; I428-S447 PolarHBondContact O-N 3.02Å
429Y94.9Very high91.4Very high46 Ų4631.9 Ų31.918%0.1819%0.185CC..EExtended strand (participates in β ladder)trans-103.9142.5177.1-65.8-83.8000111.5V358 S359 I427 Q444 A445V358-Y429 CarbonylContact C-O 3.52Å; V358-Y429 WeakPolarHBondContact CA-O 3.44Å; S359-Y429 PolarHBondContact N-O 3.21Å; S359-Y429 PolarHBondContact O-N 3.27Å; I427-Y429 HydrophobicContact CB-CE2 4.12Å; I427-Y429 HydrophobicContact CG2-CD1 4.48Å; I427-Y429 HydrophobicContact CG2-CD2 4.27Å; I427-Y429 HydrophobicContact CG2-CE1 4.07Å; I427-Y429 HydrophobicContact CG2-CE2 3.83Å; Y429-Q444 HydrophobicContact CD1-CG 4.1Å; Y429-A445 WeakPolarHBondContact CA-O 3.4Å
430F96.1Very high91.9Very high0 Ų033.9 Ų33.90%020%0.201CC..EExtended strand (participates in β ladder)trans-120.4121176.3-56.5-89.3000107.2F314 V316 V339 T341 V356 N357 V358 F397 I428 Q444 A445F314-F430 HydrophobicContact CE1-CB 3.87Å; F314-F430 WeakPolarHBondContact CE1-O 3.44Å; F314-F430 HydrophobicContact CZ-CB 4.06Å; V316-F430 HydrophobicContact CG2-CD2 3.85Å; V316-F430 HydrophobicContact CG2-CE2 3.85Å; V339-F430 HydrophobicContact CB-CZ 4.2Å; V339-F430 HydrophobicContact CG1-CE1 3.62Å; V339-F430 HydrophobicContact CG1-CZ 3.63Å; V339-F430 HydrophobicContact CG2-CE1 4.2Å; V339-F430 HydrophobicContact CG2-CE2 4.2Å; V339-F430 HydrophobicContact CG2-CZ 3.55Å; T341-F430 HydrophobicContact CG2-CB 3.95Å; T341-F430 HydrophobicContact CG2-CD1 3.55Å; T341-F430 HydrophobicContact CG2-CD2 3.93Å; T341-F430 HydrophobicContact CG2-CE1 4.05Å; T341-F430 HydrophobicContact CG2-CE2 4.39Å; T341-F430 HydrophobicContact CG2-CG 3.51Å; T341-F430 HydrophobicContact CG2-CZ 4.46Å; V356-F430 HydrophobicContact CG1-CB 3.97Å; V356-F430 HydrophobicContact CG1-CD1 4.28Å; N357-F430 CarbonylContact O-C 3.53Å; N357-F430 WeakPolarHBondContact O-CA 3.14Å; V358-F430 HydrophobicContact CB-CD1 4.41Å; V358-F430 HydrophobicContact CB-CE1 4.32Å; V358-F430 HydrophobicContact CG1-CD1 4.22Å; V358-F430 HydrophobicContact CG1-CE1 3.78Å; V358-F430 HydrophobicContact CG1-CZ 4.31Å; V358-F430 HydrophobicContact CG2-CD1 3.75Å; V358-F430 HydrophobicContact CG2-CE1 3.69Å; F397-F430 HydrophobicContact CD2-CE1 4.4Å; F397-F430 HydrophobicContact CE2-CD1 4.19Å; F397-F430 HydrophobicContact CE2-CE1 4.37Å; I428-F430 HydrophobicContact CB-CE2 4.21Å; I428-F430 HydrophobicContact CB-CZ 4.27Å; I428-F430 HydrophobicContact CG2-CE1 4.2Å; I428-F430 HydrophobicContact CG2-CE2 3.8Å; I428-F430 HydrophobicContact CG2-CZ 3.52Å; F430-Q444 CarbonylContact O-C 3.59Å; F430-Q444 VanDerWaalsContact O-CA 3.28Å; F430-Q444 WeakPolarHBondContact O-CA 3.39Å; F430-A445 HydrophobicContact CB-CB 4.38Å; F430-A445 PolarHBondContact N-O 2.86Å; F430-A445 PolarHBondContact O-N 2.8Å
431N95.9Very high92.5Very high51 Ų5131.9 Ų31.927%0.27319%0.187SC..EExtended strand (participates in β ladder)trans-117.9136.2-179-57.8-57.7000109.6V356 N357 S359 L443 Q444V356-N431 WeakPolarHBondContact CA-O 3.25Å; N357-N431 PolarHBondContact N-O 2.5Å; N357-N431 PolarHBondContact O-N 3.43Å; S359-N431 PolarHBondContact OG-ND2 3.3Å; N431-L443 WeakPolarHBondContact CA-O 3.24Å; N431-Q444 VanDerWaalsContact OD1-CG 3.28Å; N431-Q444 WeakPolarHBondContact OD1-CG 3.4Å; N431-Q444 PolarHBondContact OD1-NE2 3.08Å
432T95.3Very high92.9Very high6 Ų636.9 Ų36.94%0.03721%0.207CC..EExtended strand (participates in β ladder)trans-145.6162.4173.4-172.90000109.7F314 M354 K355 L443F314-T432 HydrophobicContact CD1-CG2 4.16Å; F314-T432 HydrophobicContact CD2-CG2 4.43Å; F314-T432 HydrophobicContact CE1-CG2 3.97Å; F314-T432 HydrophobicContact CE2-CG2 4.26Å; F314-T432 HydrophobicContact CG-CG2 4.4Å; F314-T432 HydrophobicContact CZ-CG2 4.04Å; M354-T432 HydrophobicContact CE-CG2 3.82Å; K355-T432 PolarHBondContact O-OG1 2.7Å; T432-L443 HydrophobicContact CG2-CB 3.8Å; T432-L443 HydrophobicContact CG2-CD1 4.2Å; T432-L443 HydrophobicContact CG2-CG 4.36Å; T432-L443 PolarHBondContact N-O 3.45Å; T432-L443 PolarHBondContact O-N 3.22Å
433V95.2Very high93.2Very high72 Ų7236 Ų3644%0.43620%0.201SC..EExtended strand (participates in β ladder)trans-111.6124.6172.6-175.80000108S440 E442V433-S440 WeakPolarHBondContact CG1-OG 3.39Å; V433-E442 HydrophobicContact CG2-CG 4.35Å
434F93.7Very high93.4Very high0 Ų040.5 Ų40.50%022%0.222CC..EExtended strand (participates in β ladder)trans-85.8131.9167.9179.1-79.5000108.2F268 L310 L343 F347 L350 M354 L436 S440 V441 L443F268-F434 HydrophobicContact CE2-CE1 4.43Å; F268-F434 HydrophobicContact CE2-CZ 4.1Å; F268-F434 AromaticContact CZ-CE1 3.77Å; F268-F434 HydrophobicContact CZ-CE1 3.77Å; F268-F434 AromaticContact CZ-CZ 3.87Å; F268-F434 HydrophobicContact CZ-CZ 3.87Å; L310-F434 HydrophobicContact CD1-CD1 3.85Å; L310-F434 HydrophobicContact CD1-CE1 3.84Å; L310-F434 HydrophobicContact CD1-CG 4.28Å; L310-F434 HydrophobicContact CD1-CZ 4.2Å; L310-F434 HydrophobicContact CD2-CD2 4.07Å; L310-F434 HydrophobicContact CD2-CE1 4.44Å; L310-F434 HydrophobicContact CD2-CE2 3.77Å; L310-F434 HydrophobicContact CD2-CZ 3.99Å; L343-F434 HydrophobicContact CD2-CD2 4.34Å; F347-F434 HydrophobicContact CD2-CE2 4.31Å; F347-F434 HydrophobicContact CD2-CZ 4.24Å; F347-F434 HydrophobicContact CE2-CZ 4.31Å; L350-F434 HydrophobicContact CD1-CD2 3.81Å; L350-F434 HydrophobicContact CD1-CE2 3.22Å; L350-F434 HydrophobicContact CD1-CZ 3.81Å; M354-F434 HydrophobicContact CE-CB 3.92Å; M354-F434 HydrophobicContact CE-CD2 4.17Å; M354-F434 HydrophobicContact SD-CD2 4.09Å; F434-L436 HydrophobicContact CE1-CB 3.58Å; F434-L436 HydrophobicContact CZ-CB 3.72Å; F434-L436 HydrophobicContact CZ-CD2 4.1Å; F434-S440 CarbonylContact O-C 3.16Å; F434-S440 WeakPolarHBondContact O-CA 3.42Å; F434-S440 PolarHBondContact O-OG 3.2Å; F434-V441 PolarHBondContact N-O 3.27Å; F434-V441 PolarHBondContact O-N 3.17Å; F434-L443 HydrophobicContact CB-CD1 3.83Å; F434-L443 HydrophobicContact CB-CG 4.09Å
435D92.6Very high93.5Very high94 Ų9440.3 Ų40.350%0.50322%0.223SC..EExtended strand (participates in β ladder)trans-143.3114.3172.8-171.78.5000110.2L350 F439L350-D435 WeakPolarHBondContact CD2-O 3.39Å; D435-F439 WeakPolarHBondContact CA-O 3.45Å
436L90.4Very high93.6Very high19 Ų1941.6 Ų41.610%0.09923%0.232CC..EExtended strand (participates in β ladder)trans-144.3130.6177.4-17365.8000109.8F268 F347 E349 L350 F434 G438 F439F268-L436 HydrophobicContact CE1-CD2 4.41Å; F268-L436 HydrophobicContact CE2-CD2 4.31Å; F268-L436 HydrophobicContact CZ-CB 4.46Å; F268-L436 HydrophobicContact CZ-CD2 4.19Å; F347-L436 HydrophobicContact CB-CD2 4.34Å; F347-L436 HydrophobicContact CD1-CD2 4.14Å; F347-L436 HydrophobicContact CD2-CD2 3.69Å; F347-L436 HydrophobicContact CE1-CD2 4.39Å; F347-L436 HydrophobicContact CE2-CD2 3.95Å; F347-L436 HydrophobicContact CG-CD2 3.8Å; F347-L436 HydrophobicContact CZ-CD2 4.33Å; E349-L436 HydrophobicContact CB-CD1 4.12Å; L350-L436 HydrophobicContact CD2-CB 4.3Å; L350-L436 HydrophobicContact CD2-CD1 4.21Å; L350-L436 HydrophobicContact CG-CD1 4.48Å; F434-L436 HydrophobicContact CE1-CB 3.58Å; F434-L436 HydrophobicContact CZ-CB 3.72Å; F434-L436 HydrophobicContact CZ-CD2 4.1Å; L436-G438 VanDerWaalsContact C-N 3.25Å; L436-G438 PolarHBondContact O-N 3.22Å; L436-F439 PolarHBondContact N-O 3.34Å; L436-F439 VanDerWaalsContact N-O 3.13Å; L436-F439 WeakPolarHBondContact O-CB 3.27Å; L436-F439 PolarHBondContact O-N 3.21Å
437K85.4Confident93.7Very high116 Ų11641.4 Ų41.450%0.50423%0.231SC..THydrogen-bonded Turntrans51.442.4175.5-65171.5162.3-151.60113R271 E272 F439R271-K437 PolarHBondContact NH1-O 2.97Å; E272-K437 WeakPolarHBondContact OE1-CD 3.26Å; E272-K437 WeakPolarHBondContact OE1-CE 3.44Å; E272-K437 IonicContact OE1-NZ 2.71Å; E272-K437 PolarHBondContact OE1-NZ 3.42Å; K437-F439 VanDerWaalsContact C-N 3.26Å; K437-F439 PolarHBondContact O-N 2.91Å
438G84.9Confident93.7Very high66 Ų6641.5 Ų41.568%0.6823%0.231SC*.THydrogen-bonded Turntrans65.726.4-17800000113.8R271 L436R271-G438 PolarHBondContact NH2-O 3.35Å; R271-G438 VanDerWaalsContact NH2-O 3.15Å; L436-G438 VanDerWaalsContact C-N 3.25Å; L436-G438 PolarHBondContact O-N 3.22Å
439F91.6Very high93.7Very high9 Ų941.5 Ų41.54%0.03923%0.231CC..EExtended strand (participates in β ladder)trans-117.2109.7170.5-165.8-107.9000109.7F268 D303 L306 K307 L310 D435 L436 K437 V441F268-F439 HydrophobicContact CE1-CB 4.24Å; F268-F439 HydrophobicContact CZ-CD1 4.38Å; D303-F439 HydrophobicContact CB-CE2 3.86Å; D303-F439 HydrophobicContact CB-CZ 4.3Å; D303-F439 WeakPolarHBondContact OD1-CE2 3.21Å; L306-F439 HydrophobicContact CB-CE1 3.81Å; L306-F439 HydrophobicContact CB-CZ 3.81Å; L306-F439 HydrophobicContact CD1-CE1 4.49Å; L306-F439 HydrophobicContact CD1-CZ 4.46Å; K307-F439 HydrophobicContact CD-CZ 4.39Å; K307-F439 HydrophobicContact CG-CE1 4.26Å; K307-F439 HydrophobicContact CG-CZ 3.79Å; L310-F439 HydrophobicContact CD1-CD1 4.09Å; L310-F439 HydrophobicContact CD1-CE1 3.85Å; D435-F439 WeakPolarHBondContact CA-O 3.45Å; L436-F439 PolarHBondContact N-O 3.34Å; L436-F439 VanDerWaalsContact N-O 3.13Å; L436-F439 WeakPolarHBondContact O-CB 3.27Å; L436-F439 PolarHBondContact O-N 3.21Å; K437-F439 VanDerWaalsContact C-N 3.26Å; K437-F439 PolarHBondContact O-N 2.91Å; F439-V441 HydrophobicContact CD1-CG2 3.79Å; F439-V441 HydrophobicContact CE1-CG2 3.36Å; F439-V441 HydrophobicContact CZ-CG2 4.05Å
440S93.8Very high93.8Very high71 Ų7139.3 Ų39.350%0.49722%0.223SC..EExtended strand (participates in β ladder)trans-111.4132.6-178.7-171.50000112.1V433 F434V433-S440 WeakPolarHBondContact CG1-OG 3.39Å; F434-S440 CarbonylContact O-C 3.16Å; F434-S440 WeakPolarHBondContact O-CA 3.42Å; F434-S440 PolarHBondContact O-OG 3.2Å
441V95.8Very high93.8Very high8 Ų839.3 Ų39.35%0.04822%0.223CC..EExtended strand (participates in β ladder)trans-140.8129.6178.9-173.60000110.1K307 L310 K311 F434 F439 L443K307-V441 HydrophobicContact CG-CG1 4.4Å; K307-V441 HydrophobicContact CG-CG2 3.83Å; L310-V441 HydrophobicContact CD1-CG2 4.19Å; K311-V441 HydrophobicContact CG-CG1 4.12Å; F434-V441 PolarHBondContact N-O 3.27Å; F434-V441 PolarHBondContact O-N 3.17Å; F439-V441 HydrophobicContact CD1-CG2 3.79Å; F439-V441 HydrophobicContact CE1-CG2 3.36Å; F439-V441 HydrophobicContact CZ-CG2 4.05Å; V441-L443 HydrophobicContact CB-CD2 4.29Å; V441-L443 HydrophobicContact CG1-CD2 3.86Å
442E95.9Very high93.7Very high158 Ų15836.9 Ų36.974%0.73821%0.21SC*.EExtended strand (participates in β ladder)trans-75.2126169-63.9-178.3176.100110.3V433V433-E442 HydrophobicContact CG2-CG 4.35Å
443L96.2Very high93.7Very high2 Ų236.6 Ų36.61%0.0121%0.208CC..EExtended strand (participates in β ladder)trans-111.8137.8179.6-50-175.9000109.6L310 K311 F314 L343 M354 N431 T432 F434 V441L310-L443 HydrophobicContact CB-CD2 4.09Å; K311-L443 HydrophobicContact CG-CD2 4.31Å; F314-L443 HydrophobicContact CB-CB 4.05Å; F314-L443 HydrophobicContact CB-CD1 4.14Å; F314-L443 HydrophobicContact CD1-CB 4.07Å; F314-L443 HydrophobicContact CG-CB 4.26Å; L343-L443 HydrophobicContact CD1-CD1 3.82Å; M354-L443 HydrophobicContact CE-CD1 4.08Å; N431-L443 WeakPolarHBondContact CA-O 3.24Å; T432-L443 HydrophobicContact CG2-CB 3.8Å; T432-L443 HydrophobicContact CG2-CD1 4.2Å; T432-L443 HydrophobicContact CG2-CG 4.36Å; T432-L443 PolarHBondContact N-O 3.45Å; T432-L443 PolarHBondContact O-N 3.22Å; F434-L443 HydrophobicContact CB-CD1 3.83Å; F434-L443 HydrophobicContact CB-CG 4.09Å; V441-L443 HydrophobicContact CB-CD2 4.29Å; V441-L443 HydrophobicContact CG1-CD2 3.86Å
444Q95.1Very high93.5Very high107 Ų10735.9 Ų35.950%0.521%0.207SC..EExtended strand (participates in β ladder)trans-134.1127.8176.8178.617794.800110.4Y429 F430 N431Y429-Q444 HydrophobicContact CD1-CG 4.1Å; F430-Q444 CarbonylContact O-C 3.59Å; F430-Q444 VanDerWaalsContact O-CA 3.28Å; F430-Q444 WeakPolarHBondContact O-CA 3.39Å; N431-Q444 VanDerWaalsContact OD1-CG 3.28Å; N431-Q444 WeakPolarHBondContact OD1-CG 3.4Å; N431-Q444 PolarHBondContact OD1-NE2 3.08Å
445A95Very high93.4Very high7 Ų740.2 Ų40.26%0.05823%0.23CC..EExtended strand (participates in β ladder)trans-115.2158.2168.700000109.9F314 V316 Y429 F430F314-A445 HydrophobicContact CD1-CB 3.49Å; F314-A445 VanDerWaalsContact CD1-CB 3.49Å; F314-A445 HydrophobicContact CE1-CB 3.63Å; F314-A445 HydrophobicContact CG-CB 4.17Å; F314-A445 HydrophobicContact CZ-CB 4.41Å; F314-A445 WeakPolarHBondContact O-CB 3.45Å; V316-A445 HydrophobicContact CG2-CB 4.28Å; Y429-A445 WeakPolarHBondContact CA-O 3.4Å; F430-A445 HydrophobicContact CB-CB 4.38Å; F430-A445 PolarHBondContact N-O 2.86Å; F430-A445 PolarHBondContact O-N 2.8Å
446S94.5Very high93.3Very high27 Ų2738 Ų3819%0.18922%0.222CC..EExtended strand (participates in β ladder)trans-132.6144.3176.157.80000110.8V316 I428 K477V316-S446 WeakPolarHBondContact CG2-O 3.43Å; I428-S446 CarbonylContact O-C 3.47Å; I428-S446 VanDerWaalsContact O-CA 3.32Å; I428-S446 WeakPolarHBondContact O-CA 3.43Å; S446-K477 WeakPolarHBondContact OG-CE 3.44Å
447S95.6Very high93.3Very high2 Ų241.5 Ų41.51%0.01425%0.247CC..PPolyproline II helixtrans-65.5162.9166.670.60000110.8I428I428-S447 PolarHBondContact N-OG 2.98Å; I428-S447 VanDerWaalsContact N-OG 3.15Å; I428-S447 PolarHBondContact O-N 3.02Å
448L95.8Very high93.5Very high10 Ų1038.3 Ų38.35%0.05224%0.235CC..PPolyproline II helixtrans-61.5160.7157.7-68.9171.2000109.5Q241 Q319 L329 V450 P476Q241-L448 HydrophobicContact CB-CD1 4.27Å; Q241-L448 HydrophobicContact CG-CD1 4.09Å; Q241-L448 HydrophobicContact CG-CD2 4.39Å; Q319-L448 HydrophobicContact CG-CD1 4.19Å; L329-L448 HydrophobicContact CD1-CB 3.77Å; L329-L448 HydrophobicContact CD1-CD1 4.06Å; L329-L448 HydrophobicContact CD2-CB 3.83Å; L329-L448 HydrophobicContact CG-CB 4.47Å; L448-V450 PolarHBondContact O-N 3.01Å; L448-P476 HydrophobicContact CD2-CB 3.67Å
449P95.1Very high93.9Very high0 Ų036.7 Ų36.70%021%0.209CC..PPolyproline II helixtrans-66130-176.6-21.537.7000110.3L425 H426 I427 F469 P476L425-P449 HydrophobicContact CB-CB 3.9Å; L425-P449 HydrophobicContact CD1-CB 4.06Å; L425-P449 HydrophobicContact CD2-CB 4.21Å; L425-P449 HydrophobicContact CG-CB 4.28Å; H426-P449 CarbonylContact O-C 3.12Å; H426-P449 VanDerWaalsContact O-CA 3.29Å; H426-P449 WeakPolarHBondContact O-CA 3.28Å; I427-P449 HydrophobicContact CG1-CG 4.46Å; P449-F469 HydrophobicContact CB-CE1 4.41Å; P449-F469 HydrophobicContact CB-CZ 4.39Å; P449-F469 HydrophobicContact CG-CD1 4.39Å; P449-F469 HydrophobicContact CG-CE1 3.61Å; P449-F469 HydrophobicContact CG-CE2 4.09Å; P449-F469 HydrophobicContact CG-CZ 3.44Å; P449-F469 VanDerWaalsContact CG-CZ 3.44Å; P449-P476 WeakPolarHBondContact CD-O 3.33Å; P449-P476 VanDerWaalsContact CG-O 3.3Å; P449-P476 WeakPolarHBondContact CG-O 3.32Å
450V95.7Very high93.8Very high0 Ų038.7 Ų38.70%022%0.218CC..EExtended strand (participates in β ladder)trans-104.5145.8-177.7-57.50000110.7P320 L329 L331 H426 L448 I452P320-V450 HydrophobicContact CB-CG1 4.22Å; P320-V450 HydrophobicContact CG-CG1 4.11Å; L329-V450 HydrophobicContact CB-CG1 4.32Å; L329-V450 HydrophobicContact CD2-CG1 3.88Å; L329-V450 CarbonylContact O-C 3.55Å; L329-V450 WeakPolarHBondContact O-CA 3.4Å; L329-V450 WeakPolarHBondContact O-CB 3.48Å; L331-V450 HydrophobicContact CD1-CB 4.23Å; L331-V450 HydrophobicContact CD1-CG1 4.27Å; L331-V450 HydrophobicContact CD1-CG2 4.13Å; L331-V450 HydrophobicContact CG-CB 4.44Å; H426-V450 HydrophobicContact CB-CG2 4.03Å; H426-V450 PolarHBondContact N-O 3.11Å; H426-V450 WeakPolarHBondContact O-CG2 3.46Å; H426-V450 PolarHBondContact O-N 3.07Å; L448-V450 PolarHBondContact O-N 3.01Å; V450-I452 HydrophobicContact CG2-CD1 4.42Å; V450-I452 HydrophobicContact CG2-CG1 4.16Å
451V95.9Very high93.7Very high0 Ų037.9 Ų37.90%021%0.213CC..EExtended strand (participates in β ladder)trans-99.1127170.5176.30000108.6L329 L331 L425 I453 A462 I466L329-V451 PolarHBondContact O-N 2.77Å; L331-V451 PolarHBondContact N-O 2.82Å; L425-V451 HydrophobicContact CD2-CG2 3.67Å; V451-I453 HydrophobicContact CG1-CG2 4.21Å; V451-A462 HydrophobicContact CB-CB 4.2Å; V451-A462 HydrophobicContact CG1-CB 3.59Å; V451-I466 HydrophobicContact CB-CD1 4.33Å; V451-I466 HydrophobicContact CG2-CD1 3.68Å; V451-I466 HydrophobicContact CG2-CG1 4.12Å
452I94.6Very high93.7Very high0 Ų037.5 Ų37.50%021%0.211CC..EExtended strand (participates in β ladder)trans-107.5112.3-178.1-54.9167.5000110.4L331 T333 M360 R371 F373 L402 H426 V450L331-I452 CarbonylContact O-C 3.6Å; L331-I452 WeakPolarHBondContact O-CA 3.31Å; T333-I452 HydrophobicContact CG2-CG2 3.83Å; M360-I452 HydrophobicContact CE-CD1 3.8Å; R371-I452 PolarHBondContact NH1-O 3.28Å; R371-I452 VanDerWaalsContact NH1-O 3.17Å; R371-I452 PolarHBondContact NH2-O 3.34Å; R371-I452 VanDerWaalsContact NH2-O 3.11Å; F373-I452 HydrophobicContact CB-CD1 4.21Å; F373-I452 HydrophobicContact CD1-CD1 4.28Å; F373-I452 HydrophobicContact CD1-CG2 3.93Å; F373-I452 HydrophobicContact CD2-CD1 3.37Å; F373-I452 HydrophobicContact CE1-CB 4.31Å; F373-I452 HydrophobicContact CE1-CG2 3.54Å; F373-I452 HydrophobicContact CE2-CB 4.09Å; F373-I452 HydrophobicContact CE2-CD1 3.73Å; F373-I452 HydrophobicContact CE2-CG2 4.2Å; F373-I452 HydrophobicContact CG-CD1 3.68Å; F373-I452 HydrophobicContact CG-CG2 4.42Å; F373-I452 HydrophobicContact CZ-CB 3.97Å; F373-I452 HydrophobicContact CZ-CD1 4.32Å; F373-I452 HydrophobicContact CZ-CG2 3.7Å; L402-I452 HydrophobicContact CD1-CD1 3.71Å; L402-I452 HydrophobicContact CD1-CG1 3.94Å; L402-I452 HydrophobicContact CD1-CG2 4.4Å; H426-I452 HydrophobicContact CB-CD1 3.93Å; V450-I452 HydrophobicContact CG2-CD1 4.42Å; V450-I452 HydrophobicContact CG2-CG1 4.16Å
453I94.9Very high93.6Very high0 Ų030.7 Ų30.70%018%0.178CC..EExtended strand (participates in β ladder)trans-102.4158.3-178.758.8168.8000112.2V330 L331 R332 T333 T422 V451 Q458 Q459 A462V330-I453 HydrophobicContact CG1-CD1 3.96Å; V330-I453 HydrophobicContact CG1-CG1 4.32Å; L331-I453 VanDerWaalsContact O-CG1 3.24Å; L331-I453 WeakPolarHBondContact O-CG1 3.31Å; L331-I453 PolarHBondContact O-N 3.45Å; R332-I453 WeakPolarHBondContact CA-O 3.43Å; R332-I453 HydrophobicContact CB-CD1 4.36Å; R332-I453 HydrophobicContact CB-CG1 3.99Å; R332-I453 HydrophobicContact CG-CG1 4.17Å; T333-I453 PolarHBondContact N-O 3.03Å; T422-I453 HydrophobicContact CG2-CG2 4.41Å; V451-I453 HydrophobicContact CG1-CG2 4.21Å; I453-Q458 HydrophobicContact CB-CB 4.02Å; I453-Q458 HydrophobicContact CG2-CB 3.72Å; I453-Q459 HydrophobicContact CD1-CB 4.3Å; I453-Q459 HydrophobicContact CD1-CG 3.35Å; I453-A462 HydrophobicContact CG2-CB 3.66Å
454S92Very high93.6Very high58 Ų5830.6 Ų30.641%0.40618%0.178SC..SBendtrans-103-29.6175.9-59.10000112.1
455N91.1Very high93.6Very high91 Ų9125.5 Ų25.549%0.48715%0.154SC..SBendtrans-128.7144.4-178.7-167.7-41.4000111.2S457 Q458N455-S457 PolarHBondContact O-N 3.26Å; N455-S457 PolarHBondContact OD1-N 2.73Å; N455-S457 PolarHBondContact OD1-OG 3.11Å; N455-Q458 VanDerWaalsContact N-OE1 3.08Å; N455-Q458 WeakPolarHBondContact O-CB 3.44Å; N455-Q458 PolarHBondContact O-N 3.05Å
456S90.4Very high93.6Very high48 Ų4825.2 Ų25.234%0.33615%0.152SC..G310 helixtrans-57.3-26.5174.5-680000114.1R332 Q458 Q459R332-S456 PolarHBondContact NH1-OG 3.06Å; S456-Q458 PolarHBondContact O-N 2.9Å; S456-Q458 VanDerWaalsContact O-N 3.14Å; S456-Q459 VanDerWaalsContact O-CB 3.31Å; S456-Q459 WeakPolarHBondContact O-CB 3.39Å; S456-Q459 WeakPolarHBondContact O-CG 3.49Å; S456-Q459 PolarHBondContact O-N 3.06Å
457S89.7Confident93.7Very high91 Ų9123.9 Ų23.964%0.63614%0.143SC*.G310 helixtrans-57.9-25.4173.960.10000113.2N455N455-S457 PolarHBondContact O-N 3.26Å; N455-S457 PolarHBondContact OD1-N 2.73Å; N455-S457 PolarHBondContact OD1-OG 3.11Å
458Q90.9Very high93.7Very high50 Ų5023.8 Ų23.823%0.23414%0.142CC..G310 helixtrans-84.5-9.6-179.7-58.2172.8-58.300113T422 I453 N455 S456 Q460 S461 A462T422-Q458 HydrophobicContact CG2-CB 4.07Å; I453-Q458 HydrophobicContact CB-CB 4.02Å; I453-Q458 HydrophobicContact CG2-CB 3.72Å; N455-Q458 VanDerWaalsContact N-OE1 3.08Å; N455-Q458 WeakPolarHBondContact O-CB 3.44Å; N455-Q458 PolarHBondContact O-N 3.05Å; S456-Q458 PolarHBondContact O-N 2.9Å; S456-Q458 VanDerWaalsContact O-N 3.14Å; Q458-Q460 PolarHBondContact O-N 3.5Å; Q458-S461 PolarHBondContact O-N 3.45Å; Q458-A462 VanDerWaalsContact O-CB 3.31Å; Q458-A462 WeakPolarHBondContact O-CB 3.45Å; Q458-A462 PolarHBondContact O-N 3.14Å
459Q91.5Very high93.7Very high31 Ų3123.3 Ų23.315%0.14514%0.139CC..Hα-helixtrans-58.4-36.3-176.2-76.6-175.9-6.300112.5Q324 K326 I453 S456 W463Q324-Q459 PolarHBondContact O-NE2 2.69Å; K326-Q459 HydrophobicContact CB-CB 4.36Å; I453-Q459 HydrophobicContact CD1-CB 4.3Å; I453-Q459 HydrophobicContact CD1-CG 3.35Å; S456-Q459 VanDerWaalsContact O-CB 3.31Å; S456-Q459 WeakPolarHBondContact O-CB 3.39Å; S456-Q459 WeakPolarHBondContact O-CG 3.49Å; S456-Q459 PolarHBondContact O-N 3.06Å; Q459-W463 VanDerWaalsContact O-CB 3.26Å; Q459-W463 WeakPolarHBondContact O-CB 3.38Å; Q459-W463 PolarHBondContact O-N 3.31Å
460Q90.7Very high93.7Very high51 Ų5123.3 Ų23.324%0.23814%0.139CC..Hα-helixtrans-65.5-47.1-179.2-178177.147.200111.9Q458 A464 W548 D552Q458-Q460 PolarHBondContact O-N 3.5Å; Q460-A464 PolarHBondContact O-N 3.4Å; Q460-W548 PolarHBondContact O-NE1 3.48Å; Q460-D552 WeakPolarHBondContact CG-OD2 3.25Å; Q460-D552 PolarHBondContact NE2-OD2 2.87Å
461S91.9Very high93.6Very high55 Ų5523.5 Ų23.539%0.38514%0.14SC..Hα-helixtrans-72.1-39178.2-53.60000112.2Q458 W463 A464 S465Q458-S461 PolarHBondContact O-N 3.45Å; S461-W463 VanDerWaalsContact C-N 3.32Å; S461-W463 PolarHBondContact O-N 3.29Å; S461-A464 VanDerWaalsContact O-CB 3.29Å; S461-A464 WeakPolarHBondContact O-CB 3.19Å; S461-A464 PolarHBondContact O-N 3.45Å; S461-S465 PolarHBondContact O-N 2.97Å; S461-S465 PolarHBondContact O-OG 2.96Å
462A94.6Very high93.4Very high0 Ų024.8 Ų24.80%015%0.147CC..Hα-helixtrans-61.6-41.2175.100000111.8V330 T422 V451 I453 Q458 A464 S465 I466V330-A462 HydrophobicContact CG1-CB 3.71Å; V330-A462 HydrophobicContact CG2-CB 4.07Å; T422-A462 HydrophobicContact CG2-CB 4.2Å; V451-A462 HydrophobicContact CB-CB 4.2Å; V451-A462 HydrophobicContact CG1-CB 3.59Å; I453-A462 HydrophobicContact CG2-CB 3.66Å; Q458-A462 VanDerWaalsContact O-CB 3.31Å; Q458-A462 WeakPolarHBondContact O-CB 3.45Å; Q458-A462 PolarHBondContact O-N 3.14Å; A462-A464 VanDerWaalsContact C-N 3.32Å; A462-A464 PolarHBondContact O-N 3.36Å; A462-S465 WeakPolarHBondContact O-CB 3.35Å; A462-S465 PolarHBondContact O-N 3.49Å; A462-I466 WeakPolarHBondContact O-CG1 3.49Å; A462-I466 PolarHBondContact O-N 3.09Å; A462-I466 VanDerWaalsContact O-N 3.12Å
463W95.4Very high93.3Very high14 Ų1425.1 Ų25.15%0.05315%0.149CC..Hα-helixtrans-63.6-38.4175.2-175.6-114.7000112.1C244 K326 P328 V330 Q459 S461 S465 I466 L467 Q500 W548C244-W463 WeakPolarHBondContact O-CH2 3.4Å; K326-W463 HydrophobicContact CD-CB 3.89Å; K326-W463 HydrophobicContact CD-CG 4.08Å; K326-W463 HydrophobicContact CG-CB 4.4Å; K326-W463 HydrophobicContact CG-CG 4.25Å; P328-W463 HydrophobicContact CG-CH2 4.36Å; P328-W463 HydrophobicContact CG-CZ3 4.32Å; P328-W463 WeakPolarHBondContact O-CZ3 3.49Å; V330-W463 HydrophobicContact CG2-CB 4.42Å; V330-W463 HydrophobicContact CG2-CE3 4.05Å; Q459-W463 VanDerWaalsContact O-CB 3.26Å; Q459-W463 WeakPolarHBondContact O-CB 3.38Å; Q459-W463 PolarHBondContact O-N 3.31Å; S461-W463 VanDerWaalsContact C-N 3.32Å; S461-W463 PolarHBondContact O-N 3.29Å; W463-S465 VanDerWaalsContact C-N 3.25Å; W463-S465 PolarHBondContact O-N 3.22Å; W463-I466 HydrophobicContact CE3-CB 4.03Å; W463-I466 HydrophobicContact CE3-CG2 3.92Å; W463-I466 HydrophobicContact CH2-CG2 4.45Å; W463-I466 HydrophobicContact CZ3-CB 4.27Å; W463-I466 HydrophobicContact CZ3-CG2 3.63Å; W463-I466 PolarHBondContact O-N 3.3Å; W463-I466 VanDerWaalsContact O-N 3.15Å; W463-L467 HydrophobicContact CD2-CG 4.34Å; W463-L467 HydrophobicContact CG-CG 4.44Å; W463-L467 HydrophobicContact CH2-CD2 4.37Å; W463-L467 HydrophobicContact CZ2-CD2 3.62Å; W463-L467 HydrophobicContact CZ2-CG 4.32Å; W463-L467 WeakPolarHBondContact O-CG 3.32Å; W463-L467 PolarHBondContact O-N 3.12Å; W463-Q500 VanDerWaalsContact NE1-OE1 3.17Å; W463-W548 AromaticContact CD1-CH2 3.92Å; W463-W548 AromaticContact CD1-CZ2 3.48Å; W463-W548 VanDerWaalsContact CD1-CZ2 3.48Å
464A94.6Very high92.9Very high1 Ų132.2 Ų32.21%0.00819%0.186CC..Hα-helixtrans-56.1-41.6174.100000111.9Q460 S461 A462 L467 W468 W535 F538 W548Q460-A464 PolarHBondContact O-N 3.4Å; S461-A464 VanDerWaalsContact O-CB 3.29Å; S461-A464 WeakPolarHBondContact O-CB 3.19Å; S461-A464 PolarHBondContact O-N 3.45Å; A462-A464 VanDerWaalsContact C-N 3.32Å; A462-A464 PolarHBondContact O-N 3.36Å; A464-L467 PolarHBondContact O-N 2.9Å; A464-W468 PolarHBondContact O-N 2.86Å; A464-W535 HydrophobicContact CB-CH2 3.98Å; A464-W535 HydrophobicContact CB-CZ3 4.27Å; A464-W535 WeakPolarHBondContact O-CZ3 3.47Å; A464-F538 HydrophobicContact CB-CE1 3.75Å; A464-F538 HydrophobicContact CB-CZ 4.39Å; A464-W548 HydrophobicContact CB-CD2 4.39Å; A464-W548 HydrophobicContact CB-CG 4Å
465S95.2Very high92.7Very high0 Ų033.4 Ų33.40%019%0.188CC..Hα-helixtrans-65.4-43.7176.8-57.10000112T422 S461 A462 W463 L467 W468 F469 F482T422-S465 WeakPolarHBondContact O-CB 3.17Å; T422-S465 PolarHBondContact O-OG 3.14Å; S461-S465 PolarHBondContact O-N 2.97Å; S461-S465 PolarHBondContact O-OG 2.96Å; A462-S465 WeakPolarHBondContact O-CB 3.35Å; A462-S465 PolarHBondContact O-N 3.49Å; W463-S465 VanDerWaalsContact C-N 3.25Å; W463-S465 PolarHBondContact O-N 3.22Å; S465-L467 VanDerWaalsContact C-N 3.34Å; S465-L467 PolarHBondContact O-N 2.87Å; S465-W468 PolarHBondContact O-N 3.13Å; S465-F469 WeakPolarHBondContact O-CB 3.33Å; S465-F469 PolarHBondContact O-N 3.17Å; S465-F482 WeakPolarHBondContact O-CZ 3.33Å
466I96.3Very high92.4Very high0 Ų031 Ų310%018%0.177CC..Hα-helixtrans-61.8-42.4176-65.9-54.3000111.2I245 L329 V330 V451 A462 W463 N470I245-I466 HydrophobicContact CG2-CG2 4.45Å; L329-I466 HydrophobicContact CB-CD1 3.67Å; L329-I466 HydrophobicContact CB-CG1 4.08Å; L329-I466 HydrophobicContact CB-CG2 4.02Å; L329-I466 HydrophobicContact CD1-CG2 4.02Å; V330-I466 HydrophobicContact CG2-CG1 3.73Å; V451-I466 HydrophobicContact CB-CD1 4.33Å; V451-I466 HydrophobicContact CG2-CD1 3.68Å; V451-I466 HydrophobicContact CG2-CG1 4.12Å; A462-I466 WeakPolarHBondContact O-CG1 3.49Å; A462-I466 PolarHBondContact O-N 3.09Å; A462-I466 VanDerWaalsContact O-N 3.12Å; W463-I466 HydrophobicContact CE3-CB 4.03Å; W463-I466 HydrophobicContact CE3-CG2 3.92Å; W463-I466 HydrophobicContact CH2-CG2 4.45Å; W463-I466 HydrophobicContact CZ3-CB 4.27Å; W463-I466 HydrophobicContact CZ3-CG2 3.63Å; W463-I466 PolarHBondContact O-N 3.3Å; W463-I466 VanDerWaalsContact O-N 3.15Å; I466-N470 VanDerWaalsContact CG2-ND2 3.34Å; I466-N470 WeakPolarHBondContact CG2-ND2 3.49Å; I466-N470 WeakPolarHBondContact O-CB 3.37Å; I466-N470 PolarHBondContact O-N 3.37Å; I466-N470 PolarHBondContact O-ND2 3.12Å
467L95.6Very high92.4Very high0 Ų033.5 Ų33.50%018%0.182CC..Hα-helixtrans-58.7-48.4174.8-68.8178.3000111.3I245 W463 A464 S465 M471 M496 F538 W548I245-L467 HydrophobicContact CB-CD2 3.7Å; I245-L467 HydrophobicContact CG2-CD2 3.83Å; W463-L467 HydrophobicContact CD2-CG 4.34Å; W463-L467 HydrophobicContact CG-CG 4.44Å; W463-L467 HydrophobicContact CH2-CD2 4.37Å; W463-L467 HydrophobicContact CZ2-CD2 3.62Å; W463-L467 HydrophobicContact CZ2-CG 4.32Å; W463-L467 WeakPolarHBondContact O-CG 3.32Å; W463-L467 PolarHBondContact O-N 3.12Å; A464-L467 PolarHBondContact O-N 2.9Å; S465-L467 VanDerWaalsContact C-N 3.34Å; S465-L467 PolarHBondContact O-N 2.87Å; L467-M471 WeakPolarHBondContact O-CB 3.31Å; L467-M471 PolarHBondContact O-N 3.38Å; L467-M496 HydrophobicContact CB-SD 4.18Å; L467-M496 HydrophobicContact CD1-SD 3.98Å; L467-M496 HydrophobicContact CD2-CG 4.49Å; L467-M496 HydrophobicContact CD2-SD 4.02Å; L467-M496 HydrophobicContact CG-SD 4.29Å; L467-F538 HydrophobicContact CD1-CZ 4.48Å; L467-W548 HydrophobicContact CD1-CE3 4.22Å; L467-W548 HydrophobicContact CD1-CH2 3.39Å; L467-W548 HydrophobicContact CD1-CZ2 3.92Å; L467-W548 HydrophobicContact CD1-CZ3 3.54Å
468W95.6Very high92.4Very high0 Ų031.5 Ų31.50%017%0.165CC..Hα-helixtrans-66.7-44.9-176.9-150.9-97.3000112.6A464 S465 M471 L472 F481 F482 V485 P486 A488 F493 V533 W535 F538A464-W468 PolarHBondContact O-N 2.86Å; S465-W468 PolarHBondContact O-N 3.13Å; W468-M471 HydrophobicContact CD2-CE 4.02Å; W468-M471 HydrophobicContact CE3-CE 3.88Å; W468-M471 HydrophobicContact CH2-CE 4.49Å; W468-M471 HydrophobicContact CZ3-CE 4.14Å; W468-L472 HydrophobicContact CD2-CD1 4.41Å; W468-L472 HydrophobicContact CG-CD1 4.4Å; W468-L472 HydrophobicContact CZ2-CD1 4.32Å; W468-L472 VanDerWaalsContact NE1-CD1 3.32Å; W468-L472 PolarHBondContact O-N 2.87Å; W468-L472 VanDerWaalsContact O-N 3.17Å; W468-F481 AromaticContact CD1-CE1 3.84Å; W468-F482 HydrophobicContact CB-CZ 4.45Å; W468-V485 VanDerWaalsContact NE1-CG1 3.32Å; W468-P486 PolarHBondContact NE1-O 3.11Å; W468-A488 HydrophobicContact CH2-CB 3.76Å; W468-A488 HydrophobicContact CZ2-CB 3.74Å; W468-A488 HydrophobicContact CZ3-CB 4.44Å; W468-F493 HydrophobicContact CE3-CE2 4.26Å; W468-F493 HydrophobicContact CH2-CD2 4.33Å; W468-F493 HydrophobicContact CH2-CE2 4.33Å; W468-F493 AromaticContact CZ3-CD2 3.75Å; W468-F493 HydrophobicContact CZ3-CD2 3.75Å; W468-F493 AromaticContact CZ3-CE2 3.49Å; W468-F493 HydrophobicContact CZ3-CE2 3.49Å; W468-F493 VanDerWaalsContact CZ3-CE2 3.49Å; W468-F493 HydrophobicContact CZ3-CZ 4.45Å; W468-V533 HydrophobicContact CH2-CB 4.01Å; W468-V533 HydrophobicContact CH2-CG1 3.88Å; W468-V533 WeakPolarHBondContact CH2-O 3.39Å; W468-V533 WeakPolarHBondContact CZ2-O 3.43Å; W468-W535 HydrophobicContact CB-CE3 3.78Å; W468-W535 HydrophobicContact CB-CZ3 3.62Å; W468-W535 AromaticContact CD1-CE3 3.96Å; W468-W535 AromaticContact CD2-CE3 3.58Å; W468-W535 HydrophobicContact CD2-CE3 3.58Å; W468-W535 HydrophobicContact CD2-CZ3 4.17Å; W468-W535 AromaticContact CE3-CE3 3.95Å; W468-W535 HydrophobicContact CE3-CE3 3.95Å; W468-W535 HydrophobicContact CE3-CZ3 4.32Å; W468-W535 HydrophobicContact CG-CD2 4.45Å; W468-W535 AromaticContact CG-CE3 3.49Å; W468-W535 HydrophobicContact CG-CE3 3.49Å; W468-W535 VanDerWaalsContact CG-CE3 3.49Å; W468-W535 AromaticContact CG-CZ3 3.89Å; W468-W535 HydrophobicContact CG-CZ3 3.89Å; W468-W535 HydrophobicContact CZ2-CB 4.33Å; W468-F538 HydrophobicContact CD2-CD1 4.35Å; W468-F538 HydrophobicContact CE3-CB 4.17Å; W468-F538 AromaticContact CE3-CD1 3.38Å; W468-F538 HydrophobicContact CE3-CD1 3.38Å; W468-F538 AromaticContact CE3-CE1 3.77Å; W468-F538 HydrophobicContact CE3-CE1 3.77Å; W468-F538 AromaticContact CE3-CG 3.79Å; W468-F538 HydrophobicContact CE3-CG 3.79Å; W468-F538 HydrophobicContact CE3-CZ 4.49Å; W468-F538 HydrophobicContact CH2-CB 3.93Å; W468-F538 HydrophobicContact CH2-CG 4.33Å; W468-F538 HydrophobicContact CZ3-CB 3.49Å; W468-F538 VanDerWaalsContact CZ3-CB 3.49Å; W468-F538 AromaticContact CZ3-CD1 3.55Å; W468-F538 HydrophobicContact CZ3-CD1 3.55Å; W468-F538 AromaticContact CZ3-CD2 3.99Å; W468-F538 HydrophobicContact CZ3-CD2 3.99Å; W468-F538 HydrophobicContact CZ3-CE1 4.21Å; W468-F538 AromaticContact CZ3-CG 3.41Å; W468-F538 HydrophobicContact CZ3-CG 3.41Å; W468-F538 VanDerWaalsContact CZ3-CG 3.41Å
469F95.5Very high92.3Very high0 Ų030.5 Ų30.50%016%0.162CC..Hα-helixtrans-60.8-52.4178177.6-90.7000111.3L425 P449 S465 M471 L472 S473 D475 D478 F481 F482L425-F469 HydrophobicContact CD1-CD2 3.65Å; L425-F469 HydrophobicContact CD1-CE2 4.02Å; L425-F469 HydrophobicContact CD1-CG 4.28Å; P449-F469 HydrophobicContact CB-CE1 4.41Å; P449-F469 HydrophobicContact CB-CZ 4.39Å; P449-F469 HydrophobicContact CG-CD1 4.39Å; P449-F469 HydrophobicContact CG-CE1 3.61Å; P449-F469 HydrophobicContact CG-CE2 4.09Å; P449-F469 HydrophobicContact CG-CZ 3.44Å; P449-F469 VanDerWaalsContact CG-CZ 3.44Å; S465-F469 WeakPolarHBondContact O-CB 3.33Å; S465-F469 PolarHBondContact O-N 3.17Å; F469-M471 VanDerWaalsContact C-N 3.3Å; F469-M471 PolarHBondContact O-N 3.26Å; F469-L472 PolarHBondContact O-N 3.16Å; F469-S473 WeakPolarHBondContact O-CB 3.37Å; F469-S473 PolarHBondContact O-N 2.95Å; F469-D475 WeakPolarHBondContact CZ-O 3.48Å; F469-D478 HydrophobicContact CE2-CB 4.28Å; F469-D478 WeakPolarHBondContact CE2-O 3.36Å; F469-F481 HydrophobicContact CB-CD1 4.27Å; F469-F481 HydrophobicContact CB-CE1 4.24Å; F469-F481 HydrophobicContact CD2-CB 3.72Å; F469-F481 AromaticContact CD2-CD1 3.74Å; F469-F481 HydrophobicContact CD2-CD1 3.74Å; F469-F481 HydrophobicContact CD2-CD2 4.06Å; F469-F481 HydrophobicContact CD2-CE1 4.33Å; F469-F481 AromaticContact CD2-CG 3.57Å; F469-F481 HydrophobicContact CD2-CG 3.57Å; F469-F481 HydrophobicContact CE2-CB 3.9Å; F469-F481 HydrophobicContact CE2-CD2 4.33Å; F469-F481 HydrophobicContact CE2-CG 4.07Å; F469-F482 HydrophobicContact CB-CE2 4.5Å
470N94.9Very high92.2Very high0 Ų031.6 Ų31.60%017%0.168CC..Hα-helixtrans-72.6-24.8-174.2-72.9-63.8000113.4Q241 I245 L329 I466Q241-N470 HydrophobicContact CG-CB 3.77Å; Q241-N470 WeakPolarHBondContact CG-OD1 3.48Å; I245-N470 HydrophobicContact CD1-CB 4.33Å; I245-N470 HydrophobicContact CG2-CB 3.59Å; L329-N470 WeakPolarHBondContact CD1-ND2 3.42Å; I466-N470 VanDerWaalsContact CG2-ND2 3.34Å; I466-N470 WeakPolarHBondContact CG2-ND2 3.49Å; I466-N470 WeakPolarHBondContact O-CB 3.37Å; I466-N470 PolarHBondContact O-N 3.37Å; I466-N470 PolarHBondContact O-ND2 3.12Å
471M93.9Very high92.3Very high3 Ų329.6 Ų29.62%0.01516%0.158CC..Hα-helixtrans-68.2-51.3171.3-178.41796300110.9R238 I245 L467 W468 F469 A488 Q492 F493 M496R238-M471 PolarHBondContact NH2-O 2.97Å; I245-M471 HydrophobicContact CD1-CB 4.37Å; L467-M471 WeakPolarHBondContact O-CB 3.31Å; L467-M471 PolarHBondContact O-N 3.38Å; W468-M471 HydrophobicContact CD2-CE 4.02Å; W468-M471 HydrophobicContact CE3-CE 3.88Å; W468-M471 HydrophobicContact CH2-CE 4.49Å; W468-M471 HydrophobicContact CZ3-CE 4.14Å; F469-M471 VanDerWaalsContact C-N 3.3Å; F469-M471 PolarHBondContact O-N 3.26Å; M471-A488 HydrophobicContact CE-CB 3.35Å; M471-A488 HydrophobicContact SD-CB 4.34Å; M471-Q492 HydrophobicContact CG-CG 3.84Å; M471-Q492 PolarHBondContact O-NE2 3.27Å; M471-Q492 HydrophobicContact SD-CG 4.42Å; M471-F493 HydrophobicContact CE-CD2 4Å; M471-F493 HydrophobicContact SD-CB 4.16Å; M471-F493 HydrophobicContact SD-CD2 4.05Å; M471-M496 HydrophobicContact SD-CB 4.12Å; M471-M496 HydrophobicContact SD-CE 4.07Å; M471-M496 HydrophobicContact SD-CG 4.4Å
472L92.6Very high92.3Very high27 Ų2727.5 Ų27.514%0.14114%0.142CC..Hα-helixtrans-101.2-31.8-165.3-59.1177.3000115W468 F469 L474 F481 P486 A488W468-L472 HydrophobicContact CD2-CD1 4.41Å; W468-L472 HydrophobicContact CG-CD1 4.4Å; W468-L472 HydrophobicContact CZ2-CD1 4.32Å; W468-L472 VanDerWaalsContact NE1-CD1 3.32Å; W468-L472 PolarHBondContact O-N 2.87Å; W468-L472 VanDerWaalsContact O-N 3.17Å; F469-L472 PolarHBondContact O-N 3.16Å; L472-L474 PolarHBondContact O-N 3.05Å; L472-F481 HydrophobicContact CB-CE2 4.27Å; L472-F481 HydrophobicContact CB-CZ 4.03Å; L472-F481 HydrophobicContact CD1-CZ 4.49Å; L472-P486 HydrophobicContact CB-CG 4.09Å; L472-P486 HydrophobicContact CD1-CB 4.41Å; L472-P486 HydrophobicContact CD1-CG 3.87Å; L472-P486 WeakPolarHBondContact CD1-O 3.43Å; L472-A488 HydrophobicContact CD1-CB 3.98Å; L472-A488 HydrophobicContact CD2-CB 3.9Å; L472-A488 HydrophobicContact CG-CB 4.4Å
473S90.9Very high91.9Very high7 Ų729.2 Ų29.25%0.04916%0.156CC..  trans-71.4126.7-175.1-168.10000111R238 Q241 F469 D475R238-S473 PolarHBondContact NH1-O 2.78Å; Q241-S473 PolarHBondContact NE2-O 3.37Å; F469-S473 WeakPolarHBondContact O-CB 3.37Å; F469-S473 PolarHBondContact O-N 2.95Å; S473-D475 PolarHBondContact OG-N 3.43Å; S473-D475 PolarHBondContact OG-O 3.3Å
474L86.9Confident91.4Very high149 Ų14934.5 Ų34.578%0.7819%0.19SC*.SBendtrans-86.7-24.5168.9-62.7176.7000111.7L472 P476L472-L474 PolarHBondContact O-N 3.05Å; L474-P476 WeakPolarHBondContact O-CD 3.47Å
475D88.9Confident91.1Very high83 Ų8336.7 Ų36.744%0.44420%0.203SC..  trans-92.6113174.8-178.30.3000109.6F469 S473 K477 D478F469-D475 WeakPolarHBondContact CZ-O 3.48Å; S473-D475 PolarHBondContact OG-N 3.43Å; S473-D475 PolarHBondContact OG-O 3.3Å; D475-K477 PolarHBondContact O-N 3.03Å; D475-K477 VanDerWaalsContact O-N 3.12Å; D475-K477 PolarHBondContact OD1-N 2.91Å; D475-D478 HydrophobicContact CB-CB 4.11Å; D475-D478 PolarHBondContact O-N 2.88Å
476P84.8Confident90.9Very high40 Ų4039.2 Ų39.226%0.2622%0.22SC..THydrogen-bonded Turntrans-69.5-3.8179.330-35.5000113.5L448 P449 L474L448-P476 HydrophobicContact CD2-CB 3.67Å; P449-P476 WeakPolarHBondContact CD-O 3.33Å; P449-P476 VanDerWaalsContact CG-O 3.3Å; P449-P476 WeakPolarHBondContact CG-O 3.32Å; L474-P476 WeakPolarHBondContact O-CD 3.47Å
477K88.9Confident90.7Very high102 Ų10240.8 Ų40.844%0.44323%0.233SC..THydrogen-bonded Turntrans-118.28.3-178.2-59.7-177.5-173.9-177.10113.9I427 S446 D475 V479I427-K477 HydrophobicContact CD1-CB 3.89Å; I427-K477 HydrophobicContact CD1-CG 4.25Å; S446-K477 WeakPolarHBondContact OG-CE 3.44Å; D475-K477 PolarHBondContact O-N 3.03Å; D475-K477 VanDerWaalsContact O-N 3.12Å; D475-K477 PolarHBondContact OD1-N 2.91Å; K477-V479 PolarHBondContact O-N 3.19Å
478D90.5Very high90.6Very high49 Ų4940.8 Ų40.826%0.26223%0.233SC..  trans-72.487.3-179.5-177.213000112.3F469 D475 M480 F481F469-D478 HydrophobicContact CE2-CB 4.28Å; F469-D478 WeakPolarHBondContact CE2-O 3.36Å; D475-D478 HydrophobicContact CB-CB 4.11Å; D475-D478 PolarHBondContact O-N 2.88Å; D478-M480 PolarHBondContact O-N 3.33Å; D478-M480 WeakPolarHBondContact OD1-CA 3.35Å; D478-M480 PolarHBondContact OD1-N 3.18Å; D478-F481 HydrophobicContact CB-CB 4.47Å; D478-F481 WeakPolarHBondContact O-CB 3.49Å; D478-F481 PolarHBondContact O-N 2.99Å; D478-F481 PolarHBondContact OD1-N 3.1Å; D478-F481 VanDerWaalsContact OD1-N 3.08Å; D478-F481 WeakPolarHBondContact OD2-CA 3.48Å; D478-F481 PolarHBondContact OD2-N 2.92Å
479V89.4Confident90.5Very high29 Ų2943 Ų4318%0.17625%0.247CC..THydrogen-bonded Turntrans-71.3-13.8174.2-61.90000113.3P365 L425 I427 K477P365-V479 HydrophobicContact CB-CG2 4.16Å; P365-V479 HydrophobicContact CG-CG2 4.24Å; L425-V479 HydrophobicContact CB-CB 4.39Å; I427-V479 HydrophobicContact CD1-CG1 3.65Å; I427-V479 HydrophobicContact CG1-CG1 3.83Å; K477-V479 PolarHBondContact O-N 3.19Å
480M89.4Confident90.4Very high54 Ų5443.7 Ų43.727%0.26625%0.25SC..THydrogen-bonded Turntrans-95.64-179.7-65.2-59.7-63.400112.6P365 I367 I417 D478 F482 A483P365-M480 HydrophobicContact CB-SD 3.66Å; I367-M480 HydrophobicContact CD1-CE 4.25Å; I367-M480 HydrophobicContact CD1-SD 3.49Å; I367-M480 WeakPolarHBondContact CD1-SD 3.22Å; I367-M480 HydrophobicContact CG1-CE 3.75Å; I367-M480 HydrophobicContact CG1-SD 3.51Å; I367-M480 VanDerWaalsContact CG1-SD 3.51Å; I417-M480 HydrophobicContact CD1-CE 4.39Å; D478-M480 PolarHBondContact O-N 3.33Å; D478-M480 WeakPolarHBondContact OD1-CA 3.35Å; D478-M480 PolarHBondContact OD1-N 3.18Å; M480-F482 PolarHBondContact O-N 3.47Å; M480-F482 VanDerWaalsContact O-N 3.08Å; M480-A483 HydrophobicContact CE-CB 4.03Å; M480-A483 WeakPolarHBondContact O-CB 3.35Å; M480-A483 PolarHBondContact O-N 3.14Å
481F92.2Very high90.3Very high8 Ų846.7 Ų46.74%0.03527%0.269CS..G310 helixtrans-48.9-41.4-175.9178.8-98.3000113.8L425 W468 F469 L472 D478 A483 T484 P486L425-F481 HydrophobicContact CD1-CB 4.21Å; W468-F481 AromaticContact CD1-CE1 3.84Å; F469-F481 HydrophobicContact CB-CD1 4.27Å; F469-F481 HydrophobicContact CB-CE1 4.24Å; F469-F481 HydrophobicContact CD2-CB 3.72Å; F469-F481 AromaticContact CD2-CD1 3.74Å; F469-F481 HydrophobicContact CD2-CD1 3.74Å; F469-F481 HydrophobicContact CD2-CD2 4.06Å; F469-F481 HydrophobicContact CD2-CE1 4.33Å; F469-F481 AromaticContact CD2-CG 3.57Å; F469-F481 HydrophobicContact CD2-CG 3.57Å; F469-F481 HydrophobicContact CE2-CB 3.9Å; F469-F481 HydrophobicContact CE2-CD2 4.33Å; F469-F481 HydrophobicContact CE2-CG 4.07Å; L472-F481 HydrophobicContact CB-CE2 4.27Å; L472-F481 HydrophobicContact CB-CZ 4.03Å; L472-F481 HydrophobicContact CD1-CZ 4.49Å; D478-F481 HydrophobicContact CB-CB 4.47Å; D478-F481 WeakPolarHBondContact O-CB 3.49Å; D478-F481 PolarHBondContact O-N 2.99Å; D478-F481 PolarHBondContact OD1-N 3.1Å; D478-F481 VanDerWaalsContact OD1-N 3.08Å; D478-F481 WeakPolarHBondContact OD2-CA 3.48Å; D478-F481 PolarHBondContact OD2-N 2.92Å; F481-A483 VanDerWaalsContact C-N 3.26Å; F481-A483 PolarHBondContact O-N 3.16Å; F481-T484 CarbonylContact O-C 3.5Å; F481-T484 PolarHBondContact O-N 3.35Å; F481-P486 HydrophobicContact CE2-CG 3.71Å; F481-P486 HydrophobicContact CZ-CG 3.88Å
482F91.1Very high90.2Very high12 Ų1248.9 Ų48.95%0.05328%0.279CS..G310 helixtrans-76.2-6.5-179.9-73.3-75.5000115.3L419 E423 L425 S465 W468 F469 M480 V485 W535L419-F482 HydrophobicContact CD1-CB 4.2Å; L419-F482 HydrophobicContact CD2-CB 4.04Å; E423-F482 HydrophobicContact CB-CB 3.91Å; E423-F482 HydrophobicContact CB-CD1 4.27Å; E423-F482 HydrophobicContact CB-CD2 4.2Å; E423-F482 HydrophobicContact CB-CG 3.86Å; E423-F482 HydrophobicContact CG-CB 4.46Å; E423-F482 HydrophobicContact CG-CD1 4.02Å; E423-F482 HydrophobicContact CG-CG 4.14Å; E423-F482 WeakPolarHBondContact O-CD2 3.47Å; L425-F482 HydrophobicContact CD1-CD2 3.99Å; L425-F482 HydrophobicContact CD1-CE2 4.05Å; L425-F482 HydrophobicContact CD2-CE2 4.18Å; L425-F482 HydrophobicContact CG-CD2 4.1Å; L425-F482 HydrophobicContact CG-CE2 4.23Å; S465-F482 WeakPolarHBondContact O-CZ 3.33Å; W468-F482 HydrophobicContact CB-CZ 4.45Å; F469-F482 HydrophobicContact CB-CE2 4.5Å; M480-F482 PolarHBondContact O-N 3.47Å; M480-F482 VanDerWaalsContact O-N 3.08Å; F482-V485 HydrophobicContact CB-CG2 4.38Å; F482-V485 HydrophobicContact CD1-CG2 3.77Å; F482-V485 HydrophobicContact CG-CG2 4.47Å; F482-W535 HydrophobicContact CD1-CZ2 4.38Å; F482-W535 HydrophobicContact CE1-CD2 4.06Å; F482-W535 AromaticContact CE1-CE2 3.76Å; F482-W535 HydrophobicContact CE1-CE3 4.29Å; F482-W535 HydrophobicContact CE1-CH2 4.06Å; F482-W535 AromaticContact CE1-CZ2 3.78Å; F482-W535 HydrophobicContact CE1-CZ2 3.78Å; F482-W535 HydrophobicContact CE1-CZ3 4.29Å
483A86.9Confident90.3Very high36 Ų3647.6 Ų47.630%0.29827%0.273SS..G310 helixtrans-76.8-27.2170.300000112.3I417 M480 F481I417-A483 HydrophobicContact CD1-CB 4.26Å; I417-A483 HydrophobicContact CG2-CB 3.96Å; M480-A483 HydrophobicContact CE-CB 4.03Å; M480-A483 WeakPolarHBondContact O-CB 3.35Å; M480-A483 PolarHBondContact O-N 3.14Å; F481-A483 VanDerWaalsContact C-N 3.26Å; F481-A483 PolarHBondContact O-N 3.16Å
484T84.7Confident90.5Very high125 Ų12547.4 Ų47.477%0.76727%0.271SS*.SBendtrans-140.376.8178-50.80000109.3F481 P486F481-T484 CarbonylContact O-C 3.5Å; F481-T484 PolarHBondContact O-N 3.35Å; T484-P486 VanDerWaalsContact O-CD 3.28Å; T484-P486 WeakPolarHBondContact O-CD 3.48Å
485V87.8Confident90.8Very high47 Ų4744.6 Ų44.629%0.28525%0.254SS..PPolyproline II helixtrans-75.9119-170.8-171.40000111.5W468 F482 W535W468-V485 VanDerWaalsContact NE1-CG1 3.32Å; F482-V485 HydrophobicContact CB-CG2 4.38Å; F482-V485 HydrophobicContact CD1-CG2 3.77Å; F482-V485 HydrophobicContact CG-CG2 4.47Å; V485-W535 HydrophobicContact CB-CB 4.15Å; V485-W535 HydrophobicContact CG1-CB 3.43Å; V485-W535 VanDerWaalsContact CG1-CB 3.43Å; V485-W535 HydrophobicContact CG1-CG 3.95Å; V485-W535 HydrophobicContact CG2-CG 4.4Å
486P91.7Very high91.1Very high53 Ų5340.6 Ų40.634%0.34423%0.233SC..PPolyproline II helixtrans-70.6152.9174.127.8-32.3000111.8W468 L472 F481 T484W468-P486 PolarHBondContact NE1-O 3.11Å; L472-P486 HydrophobicContact CB-CG 4.09Å; L472-P486 HydrophobicContact CD1-CB 4.41Å; L472-P486 HydrophobicContact CD1-CG 3.87Å; L472-P486 WeakPolarHBondContact CD1-O 3.43Å; F481-P486 HydrophobicContact CE2-CG 3.71Å; F481-P486 HydrophobicContact CZ-CG 3.88Å; T484-P486 VanDerWaalsContact O-CD 3.28Å; T484-P486 WeakPolarHBondContact O-CD 3.48Å
487A92.7Very high91.5Very high33 Ų3338.8 Ų38.827%0.27322%0.221SC..PPolyproline II helixtrans-80141.2170.300000110.4Q532 V533 T534A487-Q532 HydrophobicContact CB-CB 3.99Å; A487-V533 CarbonylContact C-O 3.56Å; A487-V533 WeakPolarHBondContact CA-O 3.23Å; A487-T534 HydrophobicContact CB-CG2 4.42Å
488A93.5Very high91.8Very high0 Ų034.6 Ų34.60%021%0.205CC..EExtended strand (participates in β ladder)trans-90.8129.6-177.800000111.4W468 M471 L472 F493 Q532 V533W468-A488 HydrophobicContact CH2-CB 3.76Å; W468-A488 HydrophobicContact CZ2-CB 3.74Å; W468-A488 HydrophobicContact CZ3-CB 4.44Å; M471-A488 HydrophobicContact CE-CB 3.35Å; M471-A488 HydrophobicContact SD-CB 4.34Å; L472-A488 HydrophobicContact CD1-CB 3.98Å; L472-A488 HydrophobicContact CD2-CB 3.9Å; L472-A488 HydrophobicContact CG-CB 4.4Å; A488-F493 HydrophobicContact CB-CB 4.24Å; A488-Q532 CarbonylContact O-C 3.58Å; A488-Q532 WeakPolarHBondContact O-CA 3.39Å; A488-V533 PolarHBondContact N-O 2.86Å; A488-V533 PolarHBondContact O-N 3.2Å
489P94.1Very high92Very high45 Ų4533.2 Ų33.229%0.29220%0.196SC..EExtended strand (participates in β ladder)trans-66.3138.7170.828.6-32.3000110.6P491 Q492 F493P489-P491 VanDerWaalsContact C-CD 3.5Å; P489-Q492 HydrophobicContact CG-CB 3.98Å; P489-Q492 PolarHBondContact O-N 3Å; P489-F493 PolarHBondContact O-N 3.32Å
490W93.6Very high92.3Very high16 Ų1632.5 Ų32.56%0.06119%0.19CC..Hα-helixtrans-55.5-42.2-176.6170.3-103.8000114.4Q492 F493 G494 R514 I517 A518 L521 F522 Y528 C531 V533W490-Q492 VanDerWaalsContact C-N 3.31Å; W490-Q492 PolarHBondContact O-N 3.29Å; W490-F493 AromaticContact CE3-CD1 3.83Å; W490-F493 HydrophobicContact CE3-CD1 3.83Å; W490-F493 AromaticContact CZ3-CD1 3.68Å; W490-F493 HydrophobicContact CZ3-CD1 3.68Å; W490-F493 HydrophobicContact CZ3-CE1 4.08Å; W490-F493 PolarHBondContact O-N 2.95Å; W490-G494 PolarHBondContact O-N 3.33Å; W490-R514 HydrophobicContact CZ2-CB 4.33Å; W490-R514 WeakPolarHBondContact CZ2-O 3.35Å; W490-I517 HydrophobicContact CH2-CB 4Å; W490-I517 HydrophobicContact CH2-CG2 3.73Å; W490-I517 HydrophobicContact CZ3-CG2 4.18Å; W490-A518 HydrophobicContact CD2-CB 4.11Å; W490-A518 HydrophobicContact CH2-CB 3.93Å; W490-A518 HydrophobicContact CZ2-CB 3.45Å; W490-A518 VanDerWaalsContact CZ2-CB 3.45Å; W490-A518 HydrophobicContact CZ3-CB 4.43Å; W490-L521 HydrophobicContact CE3-CD1 4.29Å; W490-L521 HydrophobicContact CZ3-CD1 3.66Å; W490-F522 HydrophobicContact CB-CE2 4.07Å; W490-F522 HydrophobicContact CB-CZ 4.4Å; W490-F522 AromaticContact CD2-CE2 3.98Å; W490-F522 HydrophobicContact CD2-CE2 3.98Å; W490-F522 AromaticContact CE3-CE2 3.69Å; W490-F522 HydrophobicContact CE3-CE2 3.69Å; W490-F522 HydrophobicContact CE3-CZ 4.41Å; W490-F522 HydrophobicContact CG-CE2 4.14Å; W490-Y528 VanDerWaalsContact CB-O 3.3Å; W490-Y528 WeakPolarHBondContact CB-O 3.48Å; W490-C531 HydrophobicContact CB-CB 4.42Å; W490-C531 WeakPolarHBondContact CB-O 3.48Å; W490-C531 PolarHBondContact N-O 3.22Å; W490-V533 HydrophobicContact CE3-CG2 4.42Å
491P92.1Very high92.4Very high63 Ų6329.9 Ų29.941%0.40918%0.178SC..Hα-helixtrans-55.8-46.4179.2-28.336.6000112.5P489 E495 D529P489-P491 VanDerWaalsContact C-CD 3.5Å; P491-E495 WeakPolarHBondContact O-CB 3.45Å; P491-E495 PolarHBondContact O-N 3.5Å; P491-E495 VanDerWaalsContact O-N 3.1Å; P491-D529 HydrophobicContact CG-CB 4Å
492Q92.6Very high92.4Very high49 Ų4932.2 Ų32.223%0.22919%0.19CC..Hα-helixtrans-69.4-40.6179-166-176.511.300112M471 P489 W490 M496M471-Q492 HydrophobicContact CG-CG 3.84Å; M471-Q492 PolarHBondContact O-NE2 3.27Å; M471-Q492 HydrophobicContact SD-CG 4.42Å; P489-Q492 HydrophobicContact CG-CB 3.98Å; P489-Q492 PolarHBondContact O-N 3Å; W490-Q492 VanDerWaalsContact C-N 3.31Å; W490-Q492 PolarHBondContact O-N 3.29Å; Q492-M496 WeakPolarHBondContact O-CB 3.49Å; Q492-M496 PolarHBondContact O-N 3.27Å
493F94.3Very high92.3Very high0 Ų036 Ų360%022%0.218CC..Hα-helixtrans-67.6-44.4179.2-179.9-102000112.4W468 M471 A488 P489 W490 E495 M496 L497 L521 V533 F538 F547W468-F493 HydrophobicContact CE3-CE2 4.26Å; W468-F493 HydrophobicContact CH2-CD2 4.33Å; W468-F493 HydrophobicContact CH2-CE2 4.33Å; W468-F493 AromaticContact CZ3-CD2 3.75Å; W468-F493 HydrophobicContact CZ3-CD2 3.75Å; W468-F493 AromaticContact CZ3-CE2 3.49Å; W468-F493 HydrophobicContact CZ3-CE2 3.49Å; W468-F493 VanDerWaalsContact CZ3-CE2 3.49Å; W468-F493 HydrophobicContact CZ3-CZ 4.45Å; M471-F493 HydrophobicContact CE-CD2 4Å; M471-F493 HydrophobicContact SD-CB 4.16Å; M471-F493 HydrophobicContact SD-CD2 4.05Å; A488-F493 HydrophobicContact CB-CB 4.24Å; P489-F493 PolarHBondContact O-N 3.32Å; W490-F493 AromaticContact CE3-CD1 3.83Å; W490-F493 HydrophobicContact CE3-CD1 3.83Å; W490-F493 AromaticContact CZ3-CD1 3.68Å; W490-F493 HydrophobicContact CZ3-CD1 3.68Å; W490-F493 HydrophobicContact CZ3-CE1 4.08Å; W490-F493 PolarHBondContact O-N 2.95Å; F493-E495 VanDerWaalsContact C-N 3.32Å; F493-E495 PolarHBondContact O-N 3.01Å; F493-M496 HydrophobicContact CD2-CE 3.45Å; F493-M496 VanDerWaalsContact CD2-CE 3.45Å; F493-M496 HydrophobicContact CE2-CE 3.39Å; F493-M496 HydrophobicContact CG-CE 4.41Å; F493-M496 HydrophobicContact CZ-CE 4.35Å; F493-M496 PolarHBondContact O-N 3.05Å; F493-L497 HydrophobicContact CD1-CD1 4.09Å; F493-L497 HydrophobicContact CD1-CG 4.42Å; F493-L497 HydrophobicContact CE1-CD1 3.53Å; F493-L497 HydrophobicContact CE1-CD2 4.42Å; F493-L497 HydrophobicContact CE1-CG 4.03Å; F493-L497 HydrophobicContact CE2-CD2 4.48Å; F493-L497 HydrophobicContact CZ-CD1 3.99Å; F493-L497 HydrophobicContact CZ-CD2 4.05Å; F493-L497 HydrophobicContact CZ-CG 4.12Å; F493-L497 WeakPolarHBondContact O-CG 3.16Å; F493-L497 PolarHBondContact O-N 3.42Å; F493-L521 HydrophobicContact CD1-CD1 4.49Å; F493-L521 HydrophobicContact CE1-CD1 3.87Å; F493-V533 HydrophobicContact CD1-CG2 3.84Å; F493-V533 HydrophobicContact CE1-CG2 4.19Å; F493-V533 HydrophobicContact CG-CG2 4.21Å; F493-F538 AromaticContact CE2-CD2 3.58Å; F493-F538 HydrophobicContact CE2-CD2 3.58Å; F493-F538 AromaticContact CE2-CE2 3.6Å; F493-F538 HydrophobicContact CE2-CE2 3.6Å; F493-F538 HydrophobicContact CE2-CG 4.27Å; F493-F538 HydrophobicContact CE2-CZ 4.32Å; F493-F538 AromaticContact CZ-CD2 3.45Å; F493-F538 HydrophobicContact CZ-CD2 3.45Å; F493-F538 VanDerWaalsContact CZ-CD2 3.45Å; F493-F538 AromaticContact CZ-CE2 3.61Å; F493-F538 HydrophobicContact CZ-CE2 3.61Å; F493-F538 HydrophobicContact CZ-CG 4.43Å; F493-F547 HydrophobicContact CE1-CE1 4.09Å; F493-F547 HydrophobicContact CE1-CZ 4.49Å; F493-F547 HydrophobicContact CZ-CD1 4.43Å; F493-F547 AromaticContact CZ-CE1 3.86Å; F493-F547 HydrophobicContact CZ-CE1 3.86Å
494G93.5Very high92.3Very high2 Ų235.2 Ų35.22%0.02121%0.212CC..Hα-helixtrans-65.3-35.4177.500000112.6W490 L497 S498W490-G494 PolarHBondContact O-N 3.33Å; G494-L497 PolarHBondContact O-N 3.17Å; G494-S498 PolarHBondContact O-N 2.92Å; G494-S498 VanDerWaalsContact O-N 3.1Å
495E93.5Very high92.3Very high90 Ų9029.3 Ų29.342%0.42118%0.175SC..Hα-helixtrans-64.2-46.9171.8-167.2-176.7-158.200111.4P491 F493 L497 S498 W499P491-E495 WeakPolarHBondContact O-CB 3.45Å; P491-E495 PolarHBondContact O-N 3.5Å; P491-E495 VanDerWaalsContact O-N 3.1Å; F493-E495 VanDerWaalsContact C-N 3.32Å; F493-E495 PolarHBondContact O-N 3.01Å; E495-L497 VanDerWaalsContact C-N 3.31Å; E495-L497 PolarHBondContact O-N 3.26Å; E495-S498 WeakPolarHBondContact O-CA 3.4Å; E495-S498 WeakPolarHBondContact O-CB 3.23Å; E495-S498 PolarHBondContact O-N 3.5Å; E495-W499 HydrophobicContact CG-CD2 4.43Å; E495-W499 HydrophobicContact CG-CH2 4.34Å; E495-W499 HydrophobicContact CG-CZ2 3.55Å; E495-W499 PolarHBondContact O-N 2.84Å; E495-W499 WeakPolarHBondContact OE1-CZ2 3.09Å
496M95.1Very high92.2Very high0 Ų033.1 Ų33.10%019%0.188CC..Hα-helixtrans-58.4-39.9176176.3-80.9-65.400112.8I245 L467 M471 Q492 F493 S498 W499 Q500I245-M496 HydrophobicContact CD1-CG 4.01Å; L467-M496 HydrophobicContact CB-SD 4.18Å; L467-M496 HydrophobicContact CD1-SD 3.98Å; L467-M496 HydrophobicContact CD2-CG 4.49Å; L467-M496 HydrophobicContact CD2-SD 4.02Å; L467-M496 HydrophobicContact CG-SD 4.29Å; M471-M496 HydrophobicContact SD-CB 4.12Å; M471-M496 HydrophobicContact SD-CE 4.07Å; M471-M496 HydrophobicContact SD-CG 4.4Å; Q492-M496 WeakPolarHBondContact O-CB 3.49Å; Q492-M496 PolarHBondContact O-N 3.27Å; F493-M496 HydrophobicContact CD2-CE 3.45Å; F493-M496 VanDerWaalsContact CD2-CE 3.45Å; F493-M496 HydrophobicContact CE2-CE 3.39Å; F493-M496 HydrophobicContact CG-CE 4.41Å; F493-M496 HydrophobicContact CZ-CE 4.35Å; F493-M496 PolarHBondContact O-N 3.05Å; M496-S498 VanDerWaalsContact C-N 3.32Å; M496-S498 PolarHBondContact O-N 2.98Å; M496-W499 HydrophobicContact CB-CE3 4.13Å; M496-W499 HydrophobicContact CB-CZ3 4.34Å; M496-W499 HydrophobicContact CG-CE3 4.48Å; M496-W499 WeakPolarHBondContact O-CB 3.48Å; M496-W499 PolarHBondContact O-N 3.49Å; M496-Q500 WeakPolarHBondContact O-CG 3.45Å; M496-Q500 PolarHBondContact O-N 2.97Å; M496-Q500 PolarHBondContact O-NE2 3.28Å; M496-Q500 HydrophobicContact SD-CG 4.36Å
497L94.9Very high92.1Very high1 Ų133.6 Ų33.61%0.00518%0.183CC..Hα-helixtrans-63.5-38.6173.4-68.3-176.9000112.1F493 G494 E495 W499 Q500 L509 I517 F547 W548 F551F493-L497 HydrophobicContact CD1-CD1 4.09Å; F493-L497 HydrophobicContact CD1-CG 4.42Å; F493-L497 HydrophobicContact CE1-CD1 3.53Å; F493-L497 HydrophobicContact CE1-CD2 4.42Å; F493-L497 HydrophobicContact CE1-CG 4.03Å; F493-L497 HydrophobicContact CE2-CD2 4.48Å; F493-L497 HydrophobicContact CZ-CD1 3.99Å; F493-L497 HydrophobicContact CZ-CD2 4.05Å; F493-L497 HydrophobicContact CZ-CG 4.12Å; F493-L497 WeakPolarHBondContact O-CG 3.16Å; F493-L497 PolarHBondContact O-N 3.42Å; G494-L497 PolarHBondContact O-N 3.17Å; E495-L497 VanDerWaalsContact C-N 3.31Å; E495-L497 PolarHBondContact O-N 3.26Å; L497-W499 VanDerWaalsContact C-N 3.34Å; L497-Q500 WeakPolarHBondContact O-CB 3.17Å; L497-Q500 PolarHBondContact O-N 3.41Å; L497-L509 HydrophobicContact CB-CD1 4.13Å; L497-I517 HydrophobicContact CD1-CG2 4.01Å; L497-F547 HydrophobicContact CD1-CE1 4.12Å; L497-F547 HydrophobicContact CD1-CZ 3.95Å; L497-F547 HydrophobicContact CD2-CE1 4.4Å; L497-W548 HydrophobicContact CD2-CZ3 4.45Å; L497-F551 HydrophobicContact CB-CE1 4.3Å; L497-F551 HydrophobicContact CB-CE2 4.19Å; L497-F551 HydrophobicContact CB-CZ 3.68Å; L497-F551 HydrophobicContact CD1-CE2 4.21Å; L497-F551 HydrophobicContact CD1-CZ 4.4Å; L497-F551 HydrophobicContact CD2-CD1 3.97Å; L497-F551 HydrophobicContact CD2-CE1 3.67Å; L497-F551 HydrophobicContact CD2-CE2 4.26Å; L497-F551 HydrophobicContact CD2-CG 4.37Å; L497-F551 HydrophobicContact CD2-CZ 3.8Å; L497-F551 HydrophobicContact CG-CE2 4.46Å; L497-F551 HydrophobicContact CG-CZ 4.16Å
498S95.1Very high92Very high15 Ų1532.7 Ų32.711%0.10518%0.177CC..Hα-helixtrans-62.8-41.9175.5-168.30000111.7G494 E495 M496 Q500 F501 L502 L509G494-S498 PolarHBondContact O-N 2.92Å; G494-S498 VanDerWaalsContact O-N 3.1Å; E495-S498 WeakPolarHBondContact O-CA 3.4Å; E495-S498 WeakPolarHBondContact O-CB 3.23Å; E495-S498 PolarHBondContact O-N 3.5Å; M496-S498 VanDerWaalsContact C-N 3.32Å; M496-S498 PolarHBondContact O-N 2.98Å; S498-Q500 VanDerWaalsContact C-N 3.27Å; S498-Q500 PolarHBondContact O-N 3.35Å; S498-F501 PolarHBondContact O-N 3.28Å; S498-L502 WeakPolarHBondContact O-CB 3.39Å; S498-L502 PolarHBondContact O-N 3.09Å; S498-L509 PolarHBondContact OG-N 3.35Å
499W94.8Very high92Very high19 Ų1933.1 Ų33.17%0.07218%0.179CC..Hα-helixtrans-59.6-34.7175.8-64.2-21.8000113K242 I245 G246 A247 E495 M496 L497 F501 L502 S503K242-W499 HydrophobicContact CB-CH2 4.46Å; K242-W499 HydrophobicContact CB-CZ3 4.43Å; K242-W499 HydrophobicContact CD-CH2 4.05Å; K242-W499 HydrophobicContact CG-CH2 4.27Å; K242-W499 HydrophobicContact CG-CZ3 4.43Å; I245-W499 HydrophobicContact CD1-CE3 4.21Å; I245-W499 HydrophobicContact CD1-CZ3 3.97Å; I245-W499 HydrophobicContact CG1-CE3 4.22Å; I245-W499 HydrophobicContact CG1-CZ3 4.29Å; G246-W499 WeakPolarHBondContact O-CB 3.32Å; A247-W499 HydrophobicContact CB-CD2 3.64Å; A247-W499 HydrophobicContact CB-CE3 3.77Å; A247-W499 HydrophobicContact CB-CG 4.23Å; A247-W499 HydrophobicContact CB-CH2 4.06Å; A247-W499 HydrophobicContact CB-CZ2 3.88Å; A247-W499 HydrophobicContact CB-CZ3 4Å; E495-W499 HydrophobicContact CG-CD2 4.43Å; E495-W499 HydrophobicContact CG-CH2 4.34Å; E495-W499 HydrophobicContact CG-CZ2 3.55Å; E495-W499 PolarHBondContact O-N 2.84Å; E495-W499 WeakPolarHBondContact OE1-CZ2 3.09Å; M496-W499 HydrophobicContact CB-CE3 4.13Å; M496-W499 HydrophobicContact CB-CZ3 4.34Å; M496-W499 HydrophobicContact CG-CE3 4.48Å; M496-W499 WeakPolarHBondContact O-CB 3.48Å; M496-W499 PolarHBondContact O-N 3.49Å; L497-W499 VanDerWaalsContact C-N 3.34Å; W499-F501 VanDerWaalsContact C-N 3.34Å; W499-F501 PolarHBondContact O-N 2.73Å; W499-L502 PolarHBondContact O-N 3.38Å; W499-S503 WeakPolarHBondContact O-CB 3.33Å; W499-S503 PolarHBondContact O-N 3.39Å
500Q94.1Very high91.8Very high14 Ų1433.7 Ų33.77%0.06518%0.18CC..Hα-helixtrans-61.2-43.6176.4-56.8-45.4-72.200111.8I245 W463 M496 L497 S498 A504 W548 F551 L555I245-Q500 PolarHBondContact O-NE2 3.14Å; W463-Q500 VanDerWaalsContact NE1-OE1 3.17Å; M496-Q500 WeakPolarHBondContact O-CG 3.45Å; M496-Q500 PolarHBondContact O-N 2.97Å; M496-Q500 PolarHBondContact O-NE2 3.28Å; M496-Q500 HydrophobicContact SD-CG 4.36Å; L497-Q500 WeakPolarHBondContact O-CB 3.17Å; L497-Q500 PolarHBondContact O-N 3.41Å; S498-Q500 VanDerWaalsContact C-N 3.27Å; S498-Q500 PolarHBondContact O-N 3.35Å; Q500-A504 WeakPolarHBondContact O-CB 3.28Å; Q500-A504 PolarHBondContact O-N 3.32Å; Q500-W548 HydrophobicContact CG-CH2 4.43Å; Q500-F551 HydrophobicContact CB-CE1 4.31Å; Q500-F551 HydrophobicContact CG-CE1 4.45Å; Q500-L555 HydrophobicContact CB-CD2 3.79Å
501F92.6Very high91.7Very high0 Ų037.5 Ų37.50%020%0.202CC..Hα-helixtrans-69.2-44.7175.4-88.2-95000111.5S498 W499 S503 A504 T505 R507 L509 F551 I554 L555 V558 W566 F574S498-F501 PolarHBondContact O-N 3.28Å; W499-F501 VanDerWaalsContact C-N 3.34Å; W499-F501 PolarHBondContact O-N 2.73Å; F501-S503 PolarHBondContact O-N 3.39Å; F501-A504 PolarHBondContact O-N 2.85Å; F501-A504 VanDerWaalsContact O-N 3.16Å; F501-T505 PolarHBondContact O-N 3.35Å; F501-T505 PolarHBondContact O-OG1 3.49Å; F501-R507 CarbonylContact C-O 3.59Å; F501-L509 HydrophobicContact CD1-CD2 4.43Å; F501-L509 HydrophobicContact CD2-CD1 4.4Å; F501-L509 HydrophobicContact CD2-CD2 3.86Å; F501-L509 HydrophobicContact CD2-CG 4.14Å; F501-L509 HydrophobicContact CE2-CD2 4.12Å; F501-L509 HydrophobicContact CG-CD2 4.03Å; F501-L509 HydrophobicContact CG-CG 4.4Å; F501-F551 HydrophobicContact CD2-CE1 4.16Å; F501-F551 HydrophobicContact CD2-CE2 4.31Å; F501-F551 AromaticContact CD2-CZ 3.6Å; F501-F551 HydrophobicContact CD2-CZ 3.6Å; F501-F551 AromaticContact CE2-CE1 3.85Å; F501-F551 HydrophobicContact CE2-CE1 3.85Å; F501-F551 AromaticContact CE2-CE2 3.69Å; F501-F551 HydrophobicContact CE2-CE2 3.69Å; F501-F551 AromaticContact CE2-CZ 3.31Å; F501-F551 HydrophobicContact CE2-CZ 3.31Å; F501-I554 HydrophobicContact CZ-CG2 4.04Å; F501-L555 HydrophobicContact CB-CD1 4.45Å; F501-L555 HydrophobicContact CD1-CD1 3.97Å; F501-L555 HydrophobicContact CD2-CD1 3.9Å; F501-L555 HydrophobicContact CE1-CD1 4.15Å; F501-L555 HydrophobicContact CE2-CB 4.41Å; F501-L555 HydrophobicContact CE2-CD1 4.05Å; F501-L555 HydrophobicContact CG-CD1 3.86Å; F501-L555 HydrophobicContact CZ-CB 4.43Å; F501-L555 HydrophobicContact CZ-CD1 4.18Å; F501-V558 HydrophobicContact CE1-CB 4.46Å; F501-V558 HydrophobicContact CE1-CG2 4.22Å; F501-W566 AromaticContact CD1-CE2 3.67Å; F501-W566 HydrophobicContact CD1-CH2 4.28Å; F501-W566 AromaticContact CD1-CZ2 3.54Å; F501-W566 HydrophobicContact CD1-CZ2 3.54Å; F501-W566 AromaticContact CD1-NE1 3.83Å; F501-W566 HydrophobicContact CE1-CH2 4.2Å; F501-W566 AromaticContact CE1-CZ2 3.9Å; F501-W566 HydrophobicContact CE1-CZ2 3.9Å; F501-W566 HydrophobicContact CG-CZ2 4.31Å; F501-F574 HydrophobicContact CE1-CE2 4.43Å; F501-F574 HydrophobicContact CE2-CE2 4.08Å; F501-F574 AromaticContact CE2-CZ 3.95Å; F501-F574 HydrophobicContact CE2-CZ 3.95Å; F501-F574 AromaticContact CZ-CE2 3.79Å; F501-F574 HydrophobicContact CZ-CE2 3.79Å; F501-F574 AromaticContact CZ-CZ 3.75Å; F501-F574 HydrophobicContact CZ-CZ 3.75Å
502L91.4Very high91.5Very high56 Ų5638.8 Ų38.829%0.29321%0.205SC..Hα-helixtrans-57.3-48.2179.8-174.366.7000111.9P248 S498 W499 A504 K506P248-L502 HydrophobicContact CB-CD2 4Å; P248-L502 HydrophobicContact CG-CD2 3.78Å; S498-L502 WeakPolarHBondContact O-CB 3.39Å; S498-L502 PolarHBondContact O-N 3.09Å; W499-L502 PolarHBondContact O-N 3.38Å; L502-A504 VanDerWaalsContact C-N 3.33Å; L502-A504 PolarHBondContact O-N 3.32Å; L502-K506 WeakPolarHBondContact O-CA 3.38Å; L502-K506 PolarHBondContact O-N 3.22Å
503S88.9Confident91.6Very high92 Ų9236.6 Ų36.664%0.64320%0.195SC*.Hα-helixtrans-64.8-35.3178.4-179.60000112.6W499 F501W499-S503 WeakPolarHBondContact O-CB 3.33Å; W499-S503 PolarHBondContact O-N 3.39Å; F501-S503 PolarHBondContact O-N 3.39Å
504A87.1Confident91.5Very high20 Ų2039.8 Ų39.817%0.16521%0.207CC..Hα-helixtrans-83.2-32.1-177.300000114.5Q500 F501 L502 L555 K559Q500-A504 WeakPolarHBondContact O-CB 3.28Å; Q500-A504 PolarHBondContact O-N 3.32Å; F501-A504 PolarHBondContact O-N 2.85Å; F501-A504 VanDerWaalsContact O-N 3.16Å; L502-A504 VanDerWaalsContact C-N 3.33Å; L502-A504 PolarHBondContact O-N 3.32Å; A504-L555 HydrophobicContact CB-CD1 3.79Å; A504-L555 HydrophobicContact CB-CG 4.43Å; A504-K559 HydrophobicContact CB-CD 4.25Å
505T86Confident91.3Very high0 Ų045.3 Ų45.30%023%0.23CC..Hα-helixtrans-135.46.1-166.971.30000114.3F501 R507 V558 E563 W566F501-T505 PolarHBondContact O-N 3.35Å; F501-T505 PolarHBondContact O-OG1 3.49Å; T505-R507 PolarHBondContact O-N 2.95Å; T505-R507 VanDerWaalsContact O-N 3.12Å; T505-R507 PolarHBondContact OG1-O 3.16Å; T505-R507 VanDerWaalsContact OG1-O 3.11Å; T505-V558 HydrophobicContact CG2-CG1 3.76Å; T505-E563 HydrophobicContact CG2-CG 4.42Å; T505-W566 PolarHBondContact OG1-NE1 3.41Å; T505-W566 VanDerWaalsContact OG1-NE1 3.13Å
506K85.3Confident91.2Very high127 Ų12741.6 Ų41.655%0.55221%0.213SC*.SBendtrans62.96.8-174-51.4-177.5179-175.30115.5L502L502-K506 WeakPolarHBondContact O-CA 3.38Å; L502-K506 PolarHBondContact O-N 3.22Å
507R88.4Confident91.1Very high64 Ų6441.6 Ų41.624%0.24221%0.213CC..  trans-137.8119.3177.1-176.5-175.6178.5-142.8-1.9109.5F501 T505 W566F501-R507 CarbonylContact C-O 3.59Å; T505-R507 PolarHBondContact O-N 2.95Å; T505-R507 VanDerWaalsContact O-N 3.12Å; T505-R507 PolarHBondContact OG1-O 3.16Å; T505-R507 VanDerWaalsContact OG1-O 3.11Å; R507-W566 VanDerWaalsContact CD-O 3.23Å; R507-W566 WeakPolarHBondContact CD-O 3.37Å; R507-W566 PolarHBondContact NH1-O 3.31Å; R507-W566 PolarHBondContact O-NE1 3.26Å
508G91.7Very high90.9Very high14 Ų1441.6 Ų41.614%0.14421%0.213CC..  trans-76.9-165176.300000113.5
509L92.8Very high90.6Very high9 Ų945 Ų455%0.04723%0.227CC..  trans-87.9144.9175.8-60173.3000110.7L497 S498 F501 Q513 R514 I517 F551 W566 F574L497-L509 HydrophobicContact CB-CD1 4.13Å; S498-L509 PolarHBondContact OG-N 3.35Å; F501-L509 HydrophobicContact CD1-CD2 4.43Å; F501-L509 HydrophobicContact CD2-CD1 4.4Å; F501-L509 HydrophobicContact CD2-CD2 3.86Å; F501-L509 HydrophobicContact CD2-CG 4.14Å; F501-L509 HydrophobicContact CE2-CD2 4.12Å; F501-L509 HydrophobicContact CG-CD2 4.03Å; F501-L509 HydrophobicContact CG-CG 4.4Å; L509-Q513 VanDerWaalsContact CA-OE1 3.32Å; L509-Q513 HydrophobicContact CB-CB 4.45Å; L509-Q513 HydrophobicContact CD2-CB 4.46Å; L509-R514 HydrophobicContact CB-CG 4.15Å; L509-R514 PolarHBondContact O-NH1 2.93Å; L509-I517 HydrophobicContact CD1-CD1 3.76Å; L509-F551 HydrophobicContact CD1-CE2 4.19Å; L509-F551 HydrophobicContact CD1-CZ 4.21Å; L509-W566 HydrophobicContact CD2-CH2 4.13Å; L509-W566 HydrophobicContact CD2-CZ2 4.13Å; L509-F574 HydrophobicContact CD2-CD2 3.78Å; L509-F574 HydrophobicContact CD2-CE2 3.44Å; L509-F574 VanDerWaalsContact CD2-CE2 3.44Å; L509-F574 HydrophobicContact CD2-CZ 4.43Å
510D91.2Very high90.3Very high56 Ų5647.7 Ų47.730%0.29924%0.239SC..  trans-87.6173.5170.667.544.3000112.4D512 Q513 R514D510-D512 VanDerWaalsContact C-N 3.32Å; D510-D512 PolarHBondContact O-N 3.49Å; D510-D512 WeakPolarHBondContact OD1-CA 3.34Å; D510-D512 WeakPolarHBondContact OD1-CB 3.36Å; D510-D512 PolarHBondContact OD1-N 3.34Å; D510-Q513 VanDerWaalsContact CG-CD 3.5Å; D510-Q513 PolarHBondContact O-N 3.02Å; D510-Q513 WeakPolarHBondContact OD1-CB 3.41Å; D510-Q513 WeakPolarHBondContact OD1-CG 3.43Å; D510-Q513 PolarHBondContact OD1-N 3.23Å; D510-Q513 VanDerWaalsContact OD2-CD 3.26Å; D510-Q513 PolarHBondContact OD2-NE2 3.36Å; D510-R514 WeakPolarHBondContact O-CB 3.34Å; D510-R514 WeakPolarHBondContact O-CG 3.42Å; D510-R514 PolarHBondContact O-N 2.98Å
511D89.8Confident90Very high97 Ų9747.7 Ų47.752%0.51924%0.239SC..Hα-helixtrans-63.2-35.3-179.6-78-38.6000113.6R514 K515D511-R514 IonicContact OD1-CZ 3.12Å; D511-R514 IonicContact OD1-NE 2.64Å; D511-R514 PolarHBondContact OD1-NE 2.87Å; D511-R514 IonicContact OD1-NH2 2.64Å; D511-R514 PolarHBondContact OD1-NH2 3.42Å; D511-K515 WeakPolarHBondContact O-CB 3.41Å; D511-K515 WeakPolarHBondContact O-CD 3.38Å; D511-K515 WeakPolarHBondContact O-CG 3.45Å; D511-K515 PolarHBondContact O-N 2.9Å
512D89.6Confident89.9Confident90 Ų9049.2 Ų49.248%0.48125%0.246SC..Hα-helixtrans-71.2-40.5-179.4-91.3-47.4000111.4D510 K515 M516 K579D510-D512 VanDerWaalsContact C-N 3.32Å; D510-D512 PolarHBondContact O-N 3.49Å; D510-D512 WeakPolarHBondContact OD1-CA 3.34Å; D510-D512 WeakPolarHBondContact OD1-CB 3.36Å; D510-D512 PolarHBondContact OD1-N 3.34Å; D512-K515 PolarHBondContact O-N 3.49Å; D512-M516 PolarHBondContact O-N 2.98Å; D512-K579 IonicContact OD1-NZ 3.79Å; D512-K579 PolarHBondContact OD1-NZ 3.25Å
513Q93.1Very high89.7Confident3 Ų348 Ų481%0.01425%0.247CC..Hα-helixtrans-64.8-46.3174-69.8169.6-9.600110.6L509 D510 K515 M516 I517 W566 M572 F574L509-Q513 VanDerWaalsContact CA-OE1 3.32Å; L509-Q513 HydrophobicContact CB-CB 4.45Å; L509-Q513 HydrophobicContact CD2-CB 4.46Å; D510-Q513 VanDerWaalsContact CG-CD 3.5Å; D510-Q513 PolarHBondContact O-N 3.02Å; D510-Q513 WeakPolarHBondContact OD1-CB 3.41Å; D510-Q513 WeakPolarHBondContact OD1-CG 3.43Å; D510-Q513 PolarHBondContact OD1-N 3.23Å; D510-Q513 VanDerWaalsContact OD2-CD 3.26Å; D510-Q513 PolarHBondContact OD2-NE2 3.36Å; Q513-K515 PolarHBondContact O-N 3.18Å; Q513-M516 PolarHBondContact O-N 3.33Å; Q513-I517 WeakPolarHBondContact O-CG1 3.44Å; Q513-I517 PolarHBondContact O-N 3.12Å; Q513-W566 VanDerWaalsContact NE2-CH2 3.34Å; Q513-M572 PolarHBondContact NE2-O 2.91Å; Q513-F574 HydrophobicContact CB-CB 3.99Å; Q513-F574 HydrophobicContact CB-CD2 4.09Å; Q513-F574 HydrophobicContact CB-CG 4.46Å; Q513-F574 HydrophobicContact CG-CB 4.14Å; Q513-F574 HydrophobicContact CG-CD2 4.21Å
514R92.2Very high89.5Confident66 Ų6652.4 Ų52.425%0.24925%0.254CS..Hα-helixtrans-57.8-47.6173.6-77.5-169.5-71.6-965.9111.3W490 L509 D510 D511 M516 I517 A518W490-R514 HydrophobicContact CZ2-CB 4.33Å; W490-R514 WeakPolarHBondContact CZ2-O 3.35Å; L509-R514 HydrophobicContact CB-CG 4.15Å; L509-R514 PolarHBondContact O-NH1 2.93Å; D510-R514 WeakPolarHBondContact O-CB 3.34Å; D510-R514 WeakPolarHBondContact O-CG 3.42Å; D510-R514 PolarHBondContact O-N 2.98Å; D511-R514 IonicContact OD1-CZ 3.12Å; D511-R514 IonicContact OD1-NE 2.64Å; D511-R514 PolarHBondContact OD1-NE 2.87Å; D511-R514 IonicContact OD1-NH2 2.64Å; D511-R514 PolarHBondContact OD1-NH2 3.42Å; R514-M516 VanDerWaalsContact C-N 3.29Å; R514-M516 PolarHBondContact O-N 3.27Å; R514-I517 PolarHBondContact O-N 2.77Å; R514-A518 WeakPolarHBondContact O-CB 3.49Å; R514-A518 PolarHBondContact O-N 2.93Å
515K90.6Very high89.4Confident118 Ų11855.9 Ų55.951%0.51327%0.267SS..Hα-helixtrans-60.2-36.9177.7-76.3166.5-172.8168.80112.6D511 D512 Q513 A518 H519D511-K515 WeakPolarHBondContact O-CB 3.41Å; D511-K515 WeakPolarHBondContact O-CD 3.38Å; D511-K515 WeakPolarHBondContact O-CG 3.45Å; D511-K515 PolarHBondContact O-N 2.9Å; D512-K515 PolarHBondContact O-N 3.49Å; Q513-K515 PolarHBondContact O-N 3.18Å; K515-A518 PolarHBondContact O-N 3.49Å; K515-H519 WeakPolarHBondContact O-CB 3.45Å; K515-H519 PolarHBondContact O-N 3.43Å
516M91.2Very high89Confident13 Ų1365.9 Ų65.96%0.06431%0.314CS..Hα-helixtrans-66.1-45.2175.7-175.3-80.7-162.600111.4D512 Q513 R514 A518 H519 K520 F574 V575 E598D512-M516 PolarHBondContact O-N 2.98Å; Q513-M516 PolarHBondContact O-N 3.33Å; R514-M516 VanDerWaalsContact C-N 3.29Å; R514-M516 PolarHBondContact O-N 3.27Å; M516-A518 VanDerWaalsContact C-N 3.31Å; M516-A518 PolarHBondContact O-N 2.9Å; M516-H519 WeakPolarHBondContact O-CB 3.46Å; M516-H519 PolarHBondContact O-N 3.27Å; M516-K520 PolarHBondContact O-N 2.99Å; M516-F574 HydrophobicContact CB-CB 4.28Å; M516-F574 VanDerWaalsContact CB-O 3.23Å; M516-F574 WeakPolarHBondContact CB-O 3.45Å; M516-F574 HydrophobicContact CG-CB 4.38Å; M516-F574 WeakPolarHBondContact CG-O 3.37Å; M516-F574 HydrophobicContact SD-CB 3.96Å; M516-V575 VanDerWaalsContact CE-C 3.46Å; M516-E598 HydrophobicContact CE-CG 3.84Å
517I91.8Very high89Confident0 Ų063.5 Ų63.50%031%0.307CS..Hα-helixtrans-62-41.7176-63.7165000110.5W490 L497 L509 Q513 R514 H519 K520 L521 F547 F551 F574W490-I517 HydrophobicContact CH2-CB 4Å; W490-I517 HydrophobicContact CH2-CG2 3.73Å; W490-I517 HydrophobicContact CZ3-CG2 4.18Å; L497-I517 HydrophobicContact CD1-CG2 4.01Å; L509-I517 HydrophobicContact CD1-CD1 3.76Å; Q513-I517 WeakPolarHBondContact O-CG1 3.44Å; Q513-I517 PolarHBondContact O-N 3.12Å; R514-I517 PolarHBondContact O-N 2.77Å; I517-H519 VanDerWaalsContact C-N 3.35Å; I517-H519 PolarHBondContact O-N 3.44Å; I517-K520 WeakPolarHBondContact O-CB 3.28Å; I517-K520 PolarHBondContact O-N 3.18Å; I517-K520 VanDerWaalsContact O-N 3.16Å; I517-L521 HydrophobicContact CG2-CD1 4.26Å; I517-L521 PolarHBondContact O-N 3.02Å; I517-F547 HydrophobicContact CG2-CE2 3.82Å; I517-F547 HydrophobicContact CG2-CZ 3.6Å; I517-F551 HydrophobicContact CD1-CE2 3.98Å; I517-F574 HydrophobicContact CD1-CD1 3.9Å; I517-F574 HydrophobicContact CD1-CD2 4.19Å; I517-F574 HydrophobicContact CD1-CE1 4.05Å; I517-F574 HydrophobicContact CD1-CE2 4.35Å; I517-F574 HydrophobicContact CD1-CG 3.96Å; I517-F574 HydrophobicContact CD1-CZ 4.26Å; I517-F574 HydrophobicContact CG1-CB 4.31Å; I517-F574 HydrophobicContact CG1-CD1 3.72Å; I517-F574 HydrophobicContact CG1-CE1 4.19Å; I517-F574 HydrophobicContact CG1-CG 4Å
518A90.8Very high88.9Confident0 Ų062.1 Ų62.10%030%0.302CS..Hα-helixtrans-58.7-46.2174.700000111.4W490 R514 K515 M516 K520 L521 F522 Y528W490-A518 HydrophobicContact CD2-CB 4.11Å; W490-A518 HydrophobicContact CH2-CB 3.93Å; W490-A518 HydrophobicContact CZ2-CB 3.45Å; W490-A518 VanDerWaalsContact CZ2-CB 3.45Å; W490-A518 HydrophobicContact CZ3-CB 4.43Å; R514-A518 WeakPolarHBondContact O-CB 3.49Å; R514-A518 PolarHBondContact O-N 2.93Å; K515-A518 PolarHBondContact O-N 3.49Å; M516-A518 VanDerWaalsContact C-N 3.31Å; M516-A518 PolarHBondContact O-N 2.9Å; A518-K520 VanDerWaalsContact C-N 3.33Å; A518-K520 PolarHBondContact O-N 3.36Å; A518-L521 PolarHBondContact O-N 2.95Å; A518-F522 HydrophobicContact CB-CD2 4.48Å; A518-F522 VanDerWaalsContact O-CD2 3.28Å; A518-F522 WeakPolarHBondContact O-CD2 3.39Å; A518-F522 PolarHBondContact O-N 3.44Å; A518-Y528 HydrophobicContact CB-CD1 3.63Å; A518-Y528 HydrophobicContact CB-CD2 3.99Å; A518-Y528 HydrophobicContact CB-CE1 3.93Å; A518-Y528 HydrophobicContact CB-CE2 4.27Å; A518-Y528 HydrophobicContact CB-CG 3.67Å
519H89.7Confident88.5Confident88 Ų8866.1 Ų66.141%0.40732%0.32SS..Hα-helixtrans-59.8-44.5175.1-168.2144.8000110.8K515 M516 I517 L521 F522 G523K515-H519 WeakPolarHBondContact O-CB 3.45Å; K515-H519 PolarHBondContact O-N 3.43Å; M516-H519 WeakPolarHBondContact O-CB 3.46Å; M516-H519 PolarHBondContact O-N 3.27Å; I517-H519 VanDerWaalsContact C-N 3.35Å; I517-H519 PolarHBondContact O-N 3.44Å; H519-L521 PolarHBondContact O-N 2.95Å; H519-F522 PolarHBondContact O-N 3.47Å; H519-G523 WeakPolarHBondContact O-CA 3.48Å; H519-G523 PolarHBondContact O-N 2.95Å
520K88Confident88.3Confident75 Ų7572.3 Ų72.333%0.32635%0.352SS..Hα-helixtrans-59.3-37.5178.6-171.1176.5-174.863.80112.2M516 I517 A518 W550 E598M516-K520 PolarHBondContact O-N 2.99Å; I517-K520 WeakPolarHBondContact O-CB 3.28Å; I517-K520 PolarHBondContact O-N 3.18Å; I517-K520 VanDerWaalsContact O-N 3.16Å; A518-K520 VanDerWaalsContact C-N 3.33Å; A518-K520 PolarHBondContact O-N 3.36Å; K520-W550 HydrophobicContact CD-CE3 4.39Å; K520-W550 HydrophobicContact CD-CH2 3.63Å; K520-W550 HydrophobicContact CD-CZ2 4.03Å; K520-W550 HydrophobicContact CD-CZ3 3.85Å; K520-E598 IonicContact NZ-OE2 2.8Å; K520-E598 PolarHBondContact NZ-OE2 3.2Å
521L88.4Confident88.2Confident13 Ų1370.5 Ų70.57%0.06834%0.343CS..Hα-helixtrans-78.3-46.7178.3-71.4169.2000112.4W490 F493 I517 A518 H519 V533 K537 F547W490-L521 HydrophobicContact CE3-CD1 4.29Å; W490-L521 HydrophobicContact CZ3-CD1 3.66Å; F493-L521 HydrophobicContact CD1-CD1 4.49Å; F493-L521 HydrophobicContact CE1-CD1 3.87Å; I517-L521 HydrophobicContact CG2-CD1 4.26Å; I517-L521 PolarHBondContact O-N 3.02Å; A518-L521 PolarHBondContact O-N 2.95Å; H519-L521 PolarHBondContact O-N 2.95Å; L521-V533 HydrophobicContact CD1-CG2 4.27Å; L521-K537 HydrophobicContact CD2-CG 4.41Å; L521-K537 WeakPolarHBondContact O-CE 3.43Å; L521-K537 PolarHBondContact O-NZ 3.07Å; L521-F547 HydrophobicContact CD1-CE2 4.04Å; L521-F547 HydrophobicContact CD1-CZ 4.03Å; L521-F547 HydrophobicContact CD2-CB 4.37Å; L521-F547 HydrophobicContact CD2-CD1 4.4Å; L521-F547 HydrophobicContact CD2-CD2 3.53Å; L521-F547 HydrophobicContact CD2-CE2 3.85Å; L521-F547 HydrophobicContact CD2-CG 3.83Å; L521-F547 HydrophobicContact CD2-CZ 4.43Å; L521-F547 HydrophobicContact CG-CD2 4.1Å; L521-F547 HydrophobicContact CG-CE2 3.89Å; L521-F547 HydrophobicContact CG-CZ 4.4Å
522F89.6Confident88.4Confident33 Ų3371.7 Ų71.715%0.14535%0.346CS..Hα-helixtrans-110.2-4.8-167.1-55.9-65.7000115.1W490 A518 H519 Q525 Y528 C531 Q532 V533W490-F522 HydrophobicContact CB-CE2 4.07Å; W490-F522 HydrophobicContact CB-CZ 4.4Å; W490-F522 AromaticContact CD2-CE2 3.98Å; W490-F522 HydrophobicContact CD2-CE2 3.98Å; W490-F522 AromaticContact CE3-CE2 3.69Å; W490-F522 HydrophobicContact CE3-CE2 3.69Å; W490-F522 HydrophobicContact CE3-CZ 4.41Å; W490-F522 HydrophobicContact CG-CE2 4.14Å; A518-F522 HydrophobicContact CB-CD2 4.48Å; A518-F522 VanDerWaalsContact O-CD2 3.28Å; A518-F522 WeakPolarHBondContact O-CD2 3.39Å; A518-F522 PolarHBondContact O-N 3.44Å; H519-F522 PolarHBondContact O-N 3.47Å; F522-Q525 HydrophobicContact CB-CG 3.98Å; F522-Q525 PolarHBondContact O-NE2 3.33Å; F522-Y528 HydrophobicContact CB-CD1 4.34Å; F522-Y528 HydrophobicContact CB-CE1 4.23Å; F522-Y528 AromaticContact CD2-CD1 3.99Å; F522-Y528 HydrophobicContact CD2-CD1 3.99Å; F522-C531 HydrophobicContact CD1-CB 3.98Å; F522-C531 HydrophobicContact CD2-CB 3.88Å; F522-C531 HydrophobicContact CE1-CB 3.78Å; F522-C531 HydrophobicContact CE2-CB 3.65Å; F522-C531 HydrophobicContact CG-CB 4.01Å; F522-C531 HydrophobicContact CZ-CB 3.56Å; F522-Q532 WeakPolarHBondContact CE1-O 3.4Å; F522-V533 HydrophobicContact CE1-CG2 4.08Å; F522-V533 HydrophobicContact CE2-CG2 4.16Å; F522-V533 HydrophobicContact CZ-CB 4.45Å; F522-V533 HydrophobicContact CZ-CG2 3.36Å
523G87.1Confident88.5Confident29 Ų2967.4 Ų67.430%0.29932%0.323SS..  trans68.9-163.7-165.700000112.1H519 Q525 Y528H519-G523 WeakPolarHBondContact O-CA 3.48Å; H519-G523 PolarHBondContact O-N 2.95Å; G523-Q525 PolarHBondContact O-N 3.17Å; G523-Y528 WeakPolarHBondContact O-CE1 3.44Å; G523-Y528 PolarHBondContact O-OH 3.02Å; G523-Y528 VanDerWaalsContact O-OH 3.11Å
524K85.6Confident88.5Confident185 Ų18570.3 Ų70.380%0.80434%0.341SS*.SBendtrans-72.1113.8179.1-174.2179.9-179.3-177.50110.7
525Q85.1Confident88.6Confident94 Ų9467.9 Ų67.944%0.43933%0.332SS..  trans-120.5158174.3-57.2-61.9-23.500111.5F522 G523 Y528F522-Q525 HydrophobicContact CB-CG 3.98Å; F522-Q525 PolarHBondContact O-NE2 3.33Å; G523-Q525 PolarHBondContact O-N 3.17Å; Q525-Y528 HydrophobicContact CB-CD1 3.79Å; Q525-Y528 HydrophobicContact CB-CE1 3.54Å; Q525-Y528 HydrophobicContact CB-CG 4.48Å; Q525-Y528 HydrophobicContact CG-CD1 3.98Å; Q525-Y528 HydrophobicContact CG-CE1 3.68Å; Q525-Y528 PolarHBondContact N-OH 3.02Å
526Q77.3Confident88.5Confident209 Ų20964.4 Ų64.498%0.97732%0.323SS*.SBendtrans-78.1-41174.9-70.2-175.52.300112
527N85.3Confident88.4Confident77 Ų7766.8 Ų66.841%0.41233%0.332SS..  trans-137.6126.6172.8-171.9-4.8000108.9D529 I530N527-D529 WeakPolarHBondContact OD1-CB 3.37Å; N527-D529 VanDerWaalsContact OD1-CG 3.23Å; N527-D529 PolarHBondContact OD1-N 2.95Å; N527-D529 PolarHBondContact OD1-OD2 3.09Å; N527-I530 WeakPolarHBondContact O-CG1 3.39Å
528Y86.1Confident88.3Confident36 Ų3666.8 Ų66.814%0.14133%0.332CS..SBendtrans-85.2-14178.2-65.2-73.8000112.8W490 A518 F522 G523 Q525 I530 C531W490-Y528 VanDerWaalsContact CB-O 3.3Å; W490-Y528 WeakPolarHBondContact CB-O 3.48Å; A518-Y528 HydrophobicContact CB-CD1 3.63Å; A518-Y528 HydrophobicContact CB-CD2 3.99Å; A518-Y528 HydrophobicContact CB-CE1 3.93Å; A518-Y528 HydrophobicContact CB-CE2 4.27Å; A518-Y528 HydrophobicContact CB-CG 3.67Å; F522-Y528 HydrophobicContact CB-CD1 4.34Å; F522-Y528 HydrophobicContact CB-CE1 4.23Å; F522-Y528 AromaticContact CD2-CD1 3.99Å; F522-Y528 HydrophobicContact CD2-CD1 3.99Å; G523-Y528 WeakPolarHBondContact O-CE1 3.44Å; G523-Y528 PolarHBondContact O-OH 3.02Å; G523-Y528 VanDerWaalsContact O-OH 3.11Å; Q525-Y528 HydrophobicContact CB-CD1 3.79Å; Q525-Y528 HydrophobicContact CB-CE1 3.54Å; Q525-Y528 HydrophobicContact CB-CG 4.48Å; Q525-Y528 HydrophobicContact CG-CD1 3.98Å; Q525-Y528 HydrophobicContact CG-CE1 3.68Å; Q525-Y528 PolarHBondContact N-OH 3.02Å; Y528-I530 PolarHBondContact O-N 3.44Å; Y528-C531 VanDerWaalsContact O-CB 3.27Å; Y528-C531 WeakPolarHBondContact O-CB 3.06Å; Y528-C531 PolarHBondContact O-N 3.37Å
529D83.8Confident88.2Confident97 Ų9768 Ų6852%0.51934%0.341SS..THydrogen-bonded Turntrans-66.1-26.6-174.7-60.1-23.6000113.2P491 N527 C531P491-D529 HydrophobicContact CG-CB 4Å; N527-D529 WeakPolarHBondContact OD1-CB 3.37Å; N527-D529 VanDerWaalsContact OD1-CG 3.23Å; N527-D529 PolarHBondContact OD1-N 2.95Å; N527-D529 PolarHBondContact OD1-OD2 3.09Å; D529-C531 VanDerWaalsContact C-N 3.34Å
530I88Confident87.9Confident139 Ų13969.1 Ų69.171%0.71335%0.345SS*.THydrogen-bonded Turntrans-83.6-10.7175.961169000112.9N527 Y528N527-I530 WeakPolarHBondContact O-CG1 3.39Å; Y528-I530 PolarHBondContact O-N 3.44Å
531C90.3Very high87.5Confident18 Ų1869 Ų6912%0.12235%0.346CS..  trans-77.7146-176.6-62.10000111.1W490 F522 Y528 D529W490-C531 HydrophobicContact CB-CB 4.42Å; W490-C531 WeakPolarHBondContact CB-O 3.48Å; W490-C531 PolarHBondContact N-O 3.22Å; F522-C531 HydrophobicContact CD1-CB 3.98Å; F522-C531 HydrophobicContact CD2-CB 3.88Å; F522-C531 HydrophobicContact CE1-CB 3.78Å; F522-C531 HydrophobicContact CE2-CB 3.65Å; F522-C531 HydrophobicContact CG-CB 4.01Å; F522-C531 HydrophobicContact CZ-CB 3.56Å; Y528-C531 VanDerWaalsContact O-CB 3.27Å; Y528-C531 WeakPolarHBondContact O-CB 3.06Å; Y528-C531 PolarHBondContact O-N 3.37Å; D529-C531 VanDerWaalsContact C-N 3.34Å
532Q92.2Very high86.5Confident122 Ų12274.4 Ų74.457%0.5737%0.374SS*.EExtended strand (participates in β ladder)trans-123.9134.3177.4-62.9-173.5-16.100111.2A487 A488 F522A487-Q532 HydrophobicContact CB-CB 3.99Å; A488-Q532 CarbonylContact O-C 3.58Å; A488-Q532 WeakPolarHBondContact O-CA 3.39Å; F522-Q532 WeakPolarHBondContact CE1-O 3.4Å
533V92.8Very high85.3Confident0 Ų075.2 Ų75.20%039%0.392CS..EExtended strand (participates in β ladder)trans-94.4128.3175.6-170.70000108.9W468 A487 A488 W490 F493 L521 F522 K537 F538W468-V533 HydrophobicContact CH2-CB 4.01Å; W468-V533 HydrophobicContact CH2-CG1 3.88Å; W468-V533 WeakPolarHBondContact CH2-O 3.39Å; W468-V533 WeakPolarHBondContact CZ2-O 3.43Å; A487-V533 CarbonylContact C-O 3.56Å; A487-V533 WeakPolarHBondContact CA-O 3.23Å; A488-V533 PolarHBondContact N-O 2.86Å; A488-V533 PolarHBondContact O-N 3.2Å; W490-V533 HydrophobicContact CE3-CG2 4.42Å; F493-V533 HydrophobicContact CD1-CG2 3.84Å; F493-V533 HydrophobicContact CE1-CG2 4.19Å; F493-V533 HydrophobicContact CG-CG2 4.21Å; L521-V533 HydrophobicContact CD1-CG2 4.27Å; F522-V533 HydrophobicContact CE1-CG2 4.08Å; F522-V533 HydrophobicContact CE2-CG2 4.16Å; F522-V533 HydrophobicContact CZ-CB 4.45Å; F522-V533 HydrophobicContact CZ-CG2 3.36Å; V533-K537 HydrophobicContact CG1-CB 4.4Å; V533-F538 HydrophobicContact CG1-CB 4.43Å
534T93.4Very high84.2Confident64 Ų6479.2 Ų79.239%0.39341%0.412SS..  trans-85.4154.2172.663.30000110.8A487 S536 K537 F538A487-T534 HydrophobicContact CB-CG2 4.42Å; T534-S536 PolarHBondContact O-N 3.49Å; T534-K537 PolarHBondContact O-N 3.04Å; T534-K537 VanDerWaalsContact O-N 3.13Å; T534-K537 WeakPolarHBondContact OG1-CB 3.39Å; T534-K537 PolarHBondContact OG1-N 2.91Å; T534-F538 PolarHBondContact O-N 2.89Å; T534-F538 VanDerWaalsContact O-N 3.15Å
535W92.7Very high83.7Confident16 Ų1675 Ų756%0.06140%0.399CS..Hα-helixtrans-56.6-39.1174.6171.9-118.4000112.9E423 A464 W468 F482 V485 K537 F538 S539E423-W535 HydrophobicContact CG-CZ2 4.18Å; E423-W535 PolarHBondContact OE1-NE1 3.25Å; A464-W535 HydrophobicContact CB-CH2 3.98Å; A464-W535 HydrophobicContact CB-CZ3 4.27Å; A464-W535 WeakPolarHBondContact O-CZ3 3.47Å; W468-W535 HydrophobicContact CB-CE3 3.78Å; W468-W535 HydrophobicContact CB-CZ3 3.62Å; W468-W535 AromaticContact CD1-CE3 3.96Å; W468-W535 AromaticContact CD2-CE3 3.58Å; W468-W535 HydrophobicContact CD2-CE3 3.58Å; W468-W535 HydrophobicContact CD2-CZ3 4.17Å; W468-W535 AromaticContact CE3-CE3 3.95Å; W468-W535 HydrophobicContact CE3-CE3 3.95Å; W468-W535 HydrophobicContact CE3-CZ3 4.32Å; W468-W535 HydrophobicContact CG-CD2 4.45Å; W468-W535 AromaticContact CG-CE3 3.49Å; W468-W535 HydrophobicContact CG-CE3 3.49Å; W468-W535 VanDerWaalsContact CG-CE3 3.49Å; W468-W535 AromaticContact CG-CZ3 3.89Å; W468-W535 HydrophobicContact CG-CZ3 3.89Å; W468-W535 HydrophobicContact CZ2-CB 4.33Å; F482-W535 HydrophobicContact CD1-CZ2 4.38Å; F482-W535 HydrophobicContact CE1-CD2 4.06Å; F482-W535 AromaticContact CE1-CE2 3.76Å; F482-W535 HydrophobicContact CE1-CE3 4.29Å; F482-W535 HydrophobicContact CE1-CH2 4.06Å; F482-W535 AromaticContact CE1-CZ2 3.78Å; F482-W535 HydrophobicContact CE1-CZ2 3.78Å; F482-W535 HydrophobicContact CE1-CZ3 4.29Å; V485-W535 HydrophobicContact CB-CB 4.15Å; V485-W535 HydrophobicContact CG1-CB 3.43Å; V485-W535 VanDerWaalsContact CG1-CB 3.43Å; V485-W535 HydrophobicContact CG1-CG 3.95Å; V485-W535 HydrophobicContact CG2-CG 4.4Å; W535-K537 VanDerWaalsContact C-N 3.33Å; W535-K537 PolarHBondContact O-N 2.66Å; W535-F538 AromaticContact CE3-CD1 3.73Å; W535-F538 HydrophobicContact CE3-CD1 3.73Å; W535-F538 HydrophobicContact CE3-CE1 4.45Å; W535-F538 AromaticContact CZ3-CD1 3.52Å; W535-F538 HydrophobicContact CZ3-CD1 3.52Å; W535-F538 AromaticContact CZ3-CE1 3.84Å; W535-F538 HydrophobicContact CZ3-CE1 3.84Å; W535-F538 PolarHBondContact O-N 3.13Å; W535-F538 VanDerWaalsContact O-N 3.16Å; W535-S539 WeakPolarHBondContact CH2-OG 3.37Å; W535-S539 WeakPolarHBondContact CZ2-OG 2.99Å; W535-S539 PolarHBondContact O-N 3.42Å; W535-S539 PolarHBondContact O-OG 2.96Å
536S89.7Confident83.8Confident45 Ų4571.1 Ų71.132%0.31538%0.382SS..Hα-helixtrans-55.7-48.2175.4-179.50000111.6T534 F538 S539 K540 E541T534-S536 PolarHBondContact O-N 3.49Å; S536-F538 VanDerWaalsContact C-N 3.26Å; S536-F538 PolarHBondContact O-N 3.11Å; S536-S539 PolarHBondContact O-N 3.01Å; S536-K540 CarbonylContact O-C 3.56Å; S536-K540 WeakPolarHBondContact O-CA 3.46Å; S536-K540 PolarHBondContact O-N 3.46Å; S536-E541 WeakPolarHBondContact CB-OE1 3.39Å; S536-E541 PolarHBondContact O-N 2.88Å; S536-E541 WeakPolarHBondContact OG-CG 3.28Å; S536-E541 PolarHBondContact OG-OE1 3.36Å
537K88.9Confident84.5Confident62 Ų6261.9 Ų61.927%0.2734%0.338SS..Hα-helixtrans-66.7-29.1180-167.3162.4-172.3167.10113.6L521 V533 T534 W535 E541L521-K537 HydrophobicContact CD2-CG 4.41Å; L521-K537 WeakPolarHBondContact O-CE 3.43Å; L521-K537 PolarHBondContact O-NZ 3.07Å; V533-K537 HydrophobicContact CG1-CB 4.4Å; T534-K537 PolarHBondContact O-N 3.04Å; T534-K537 VanDerWaalsContact O-N 3.13Å; T534-K537 WeakPolarHBondContact OG1-CB 3.39Å; T534-K537 PolarHBondContact OG1-N 2.91Å; W535-K537 VanDerWaalsContact C-N 3.33Å; W535-K537 PolarHBondContact O-N 2.66Å; K537-E541 PolarHBondContact N-OE1 2.95Å
538F90.1Very high84.8Confident0 Ų058.3 Ų58.30%032%0.319CS..Hα-helixtrans-76.9-46.8178178.4-119.1000112.9A464 L467 W468 F493 V533 T534 W535 S536 F547 W548A464-F538 HydrophobicContact CB-CE1 3.75Å; A464-F538 HydrophobicContact CB-CZ 4.39Å; L467-F538 HydrophobicContact CD1-CZ 4.48Å; W468-F538 HydrophobicContact CD2-CD1 4.35Å; W468-F538 HydrophobicContact CE3-CB 4.17Å; W468-F538 AromaticContact CE3-CD1 3.38Å; W468-F538 HydrophobicContact CE3-CD1 3.38Å; W468-F538 AromaticContact CE3-CE1 3.77Å; W468-F538 HydrophobicContact CE3-CE1 3.77Å; W468-F538 AromaticContact CE3-CG 3.79Å; W468-F538 HydrophobicContact CE3-CG 3.79Å; W468-F538 HydrophobicContact CE3-CZ 4.49Å; W468-F538 HydrophobicContact CH2-CB 3.93Å; W468-F538 HydrophobicContact CH2-CG 4.33Å; W468-F538 HydrophobicContact CZ3-CB 3.49Å; W468-F538 VanDerWaalsContact CZ3-CB 3.49Å; W468-F538 AromaticContact CZ3-CD1 3.55Å; W468-F538 HydrophobicContact CZ3-CD1 3.55Å; W468-F538 AromaticContact CZ3-CD2 3.99Å; W468-F538 HydrophobicContact CZ3-CD2 3.99Å; W468-F538 HydrophobicContact CZ3-CE1 4.21Å; W468-F538 AromaticContact CZ3-CG 3.41Å; W468-F538 HydrophobicContact CZ3-CG 3.41Å; W468-F538 VanDerWaalsContact CZ3-CG 3.41Å; F493-F538 AromaticContact CE2-CD2 3.58Å; F493-F538 HydrophobicContact CE2-CD2 3.58Å; F493-F538 AromaticContact CE2-CE2 3.6Å; F493-F538 HydrophobicContact CE2-CE2 3.6Å; F493-F538 HydrophobicContact CE2-CG 4.27Å; F493-F538 HydrophobicContact CE2-CZ 4.32Å; F493-F538 AromaticContact CZ-CD2 3.45Å; F493-F538 HydrophobicContact CZ-CD2 3.45Å; F493-F538 VanDerWaalsContact CZ-CD2 3.45Å; F493-F538 AromaticContact CZ-CE2 3.61Å; F493-F538 HydrophobicContact CZ-CE2 3.61Å; F493-F538 HydrophobicContact CZ-CG 4.43Å; V533-F538 HydrophobicContact CG1-CB 4.43Å; T534-F538 PolarHBondContact O-N 2.89Å; T534-F538 VanDerWaalsContact O-N 3.15Å; W535-F538 AromaticContact CE3-CD1 3.73Å; W535-F538 HydrophobicContact CE3-CD1 3.73Å; W535-F538 HydrophobicContact CE3-CE1 4.45Å; W535-F538 AromaticContact CZ3-CD1 3.52Å; W535-F538 HydrophobicContact CZ3-CD1 3.52Å; W535-F538 AromaticContact CZ3-CE1 3.84Å; W535-F538 HydrophobicContact CZ3-CE1 3.84Å; W535-F538 PolarHBondContact O-N 3.13Å; W535-F538 VanDerWaalsContact O-N 3.16Å; S536-F538 VanDerWaalsContact C-N 3.26Å; S536-F538 PolarHBondContact O-N 3.11Å; F538-F547 AromaticContact CD2-CD1 3.82Å; F538-F547 HydrophobicContact CD2-CD1 3.82Å; F538-F547 HydrophobicContact CD2-CE1 4.27Å; F538-F547 HydrophobicContact CE2-CD1 4.19Å; F538-F547 HydrophobicContact CE2-CE1 4.35Å; F538-W548 HydrophobicContact CD2-CB 4.23Å; F538-W548 HydrophobicContact CE1-CB 4.39Å; F538-W548 HydrophobicContact CE1-CG 4.42Å; F538-W548 HydrophobicContact CE2-CB 3.88Å; F538-W548 HydrophobicContact CE2-CD2 4.11Å; F538-W548 AromaticContact CE2-CE3 3.56Å; F538-W548 HydrophobicContact CE2-CE3 3.56Å; F538-W548 HydrophobicContact CE2-CG 4.26Å; F538-W548 HydrophobicContact CE2-CZ3 4.48Å; F538-W548 HydrophobicContact CZ-CB 3.98Å; F538-W548 AromaticContact CZ-CD2 3.71Å; F538-W548 HydrophobicContact CZ-CD2 3.71Å; F538-W548 AromaticContact CZ-CE3 3.41Å; F538-W548 HydrophobicContact CZ-CE3 3.41Å; F538-W548 VanDerWaalsContact CZ-CE3 3.41Å; F538-W548 AromaticContact CZ-CG 3.94Å; F538-W548 HydrophobicContact CZ-CG 3.94Å; F538-W548 HydrophobicContact CZ-CZ3 4.23Å; F538-W548 WeakPolarHBondContact O-CB 3.23Å; F538-W548 PolarHBondContact O-N 3.26Å; F538-W548 VanDerWaalsContact O-N 3.09Å
539S88Confident85.1Confident27 Ų2757.9 Ų57.919%0.18932%0.32CS..Hα-helixtrans-128.7-6.5-166.776.90000116.9W535 S536 T546W535-S539 WeakPolarHBondContact CH2-OG 3.37Å; W535-S539 WeakPolarHBondContact CZ2-OG 2.99Å; W535-S539 PolarHBondContact O-N 3.42Å; W535-S539 PolarHBondContact O-OG 2.96Å; S536-S539 PolarHBondContact O-N 3.01Å; S539-T546 WeakPolarHBondContact O-CG2 3.48Å
540K82.8Confident85.4Confident111 Ų11153.9 Ų53.948%0.48330%0.297SS..THydrogen-bonded Turntrans-121.3-35-175.2-57.4-170.9174.4-179.40114.8E423 S536E423-K540 WeakPolarHBondContact OE1-CE 3.35Å; E423-K540 IonicContact OE1-NZ 2.92Å; E423-K540 PolarHBondContact OE1-NZ 2.8Å; E423-K540 IonicContact OE2-NZ 3.73Å; S536-K540 CarbonylContact O-C 3.56Å; S536-K540 WeakPolarHBondContact O-CA 3.46Å; S536-K540 PolarHBondContact O-N 3.46Å
541E81.4Confident85.7Confident73 Ų7347.2 Ų47.234%0.34126%0.263SS..THydrogen-bonded Turntrans-72149.8-177.9-77.7165.9-147.900112S536 K537S536-E541 WeakPolarHBondContact CB-OE1 3.39Å; S536-E541 PolarHBondContact O-N 2.88Å; S536-E541 WeakPolarHBondContact OG-CG 3.28Å; S536-E541 PolarHBondContact OG-OE1 3.36Å; K537-E541 PolarHBondContact N-OE1 2.95Å
542N65.6Low85.8Confident126 Ų12647 Ų4767%0.67426%0.261SS*.THydrogen-bonded Turntrans76.417.2179-47.3-55.8000116.8
543G66.3Low85.8Confident49 Ų4941.9 Ų41.951%0.50524%0.241SC..THydrogen-bonded Turntrans70.9-135.3172.500000112.3D545 T546G543-D545 PolarHBondContact O-N 3.16Å; G543-T546 WeakPolarHBondContact O-CG2 3.39Å
544P63.6Low85.8Confident113 Ų11341.9 Ų41.973%0.73424%0.241SC*.THydrogen-bonded Turntrans-66-23.7-178.127.3-33.5000113.6T546P544-T546 PolarHBondContact O-N 3.38Å
545D75Confident85.8Confident97 Ų9739.6 Ų39.652%0.51923%0.226SC..SBendtrans-100.456.2-176.9-62.4-40.9000111.7G543G543-D545 PolarHBondContact O-N 3.16Å
546T87.3Confident85.7Confident13 Ų1341.1 Ų41.18%0.0824%0.242CC..  trans-64.3159.517772.30000111.2S539 G543 P544 W548 V549 W550S539-T546 WeakPolarHBondContact O-CG2 3.48Å; G543-T546 WeakPolarHBondContact O-CG2 3.39Å; P544-T546 PolarHBondContact O-N 3.38Å; T546-W548 VanDerWaalsContact C-N 3.26Å; T546-W548 PolarHBondContact O-N 3.05Å; T546-V549 PolarHBondContact O-N 3.19Å; T546-V549 VanDerWaalsContact O-N 3.14Å; T546-V549 VanDerWaalsContact OG1-CG2 3.23Å; T546-V549 WeakPolarHBondContact OG1-CG2 3.37Å; T546-V549 PolarHBondContact OG1-N 3.04Å; T546-W550 PolarHBondContact O-N 2.83Å
547F91.6Very high85.8Confident14 Ų1439.3 Ų39.36%0.06123%0.229CC..Hα-helixtrans-54.4-45.5178172-91.7000111.8F493 L497 I517 L521 F538 W550 F551F493-F547 HydrophobicContact CE1-CE1 4.09Å; F493-F547 HydrophobicContact CE1-CZ 4.49Å; F493-F547 HydrophobicContact CZ-CD1 4.43Å; F493-F547 AromaticContact CZ-CE1 3.86Å; F493-F547 HydrophobicContact CZ-CE1 3.86Å; L497-F547 HydrophobicContact CD1-CE1 4.12Å; L497-F547 HydrophobicContact CD1-CZ 3.95Å; L497-F547 HydrophobicContact CD2-CE1 4.4Å; I517-F547 HydrophobicContact CG2-CE2 3.82Å; I517-F547 HydrophobicContact CG2-CZ 3.6Å; L521-F547 HydrophobicContact CD1-CE2 4.04Å; L521-F547 HydrophobicContact CD1-CZ 4.03Å; L521-F547 HydrophobicContact CD2-CB 4.37Å; L521-F547 HydrophobicContact CD2-CD1 4.4Å; L521-F547 HydrophobicContact CD2-CD2 3.53Å; L521-F547 HydrophobicContact CD2-CE2 3.85Å; L521-F547 HydrophobicContact CD2-CG 3.83Å; L521-F547 HydrophobicContact CD2-CZ 4.43Å; L521-F547 HydrophobicContact CG-CD2 4.1Å; L521-F547 HydrophobicContact CG-CE2 3.89Å; L521-F547 HydrophobicContact CG-CZ 4.4Å; F538-F547 AromaticContact CD2-CD1 3.82Å; F538-F547 HydrophobicContact CD2-CD1 3.82Å; F538-F547 HydrophobicContact CD2-CE1 4.27Å; F538-F547 HydrophobicContact CE2-CD1 4.19Å; F538-F547 HydrophobicContact CE2-CE1 4.35Å; F547-W550 AromaticContact CD2-CE3 3.95Å; F547-W550 HydrophobicContact CD2-CE3 3.95Å; F547-W550 HydrophobicContact CD2-CZ3 4.05Å; F547-W550 AromaticContact CE2-CE3 3.9Å; F547-W550 HydrophobicContact CE2-CE3 3.9Å; F547-W550 AromaticContact CE2-CZ3 3.56Å; F547-W550 HydrophobicContact CE2-CZ3 3.56Å; F547-W550 HydrophobicContact CZ-CZ3 4.22Å; F547-W550 PolarHBondContact O-N 3.37Å; F547-F551 HydrophobicContact CE1-CB 4.31Å; F547-F551 HydrophobicContact CZ-CB 4.45Å; F547-F551 HydrophobicContact CZ-CD2 4.38Å; F547-F551 WeakPolarHBondContact O-CB 3.49Å; F547-F551 PolarHBondContact O-N 3.11Å
548W92.4Very high86Confident3 Ų336.3 Ų36.31%0.01122%0.216CC..Hα-helixtrans-63.4-43.4178.6175.7-111.3000112.3Q460 W463 A464 L467 L497 Q500 F538 T546 W550 F551 D552Q460-W548 PolarHBondContact O-NE1 3.48Å; W463-W548 AromaticContact CD1-CH2 3.92Å; W463-W548 AromaticContact CD1-CZ2 3.48Å; W463-W548 VanDerWaalsContact CD1-CZ2 3.48Å; A464-W548 HydrophobicContact CB-CD2 4.39Å; A464-W548 HydrophobicContact CB-CG 4Å; L467-W548 HydrophobicContact CD1-CE3 4.22Å; L467-W548 HydrophobicContact CD1-CH2 3.39Å; L467-W548 HydrophobicContact CD1-CZ2 3.92Å; L467-W548 HydrophobicContact CD1-CZ3 3.54Å; L497-W548 HydrophobicContact CD2-CZ3 4.45Å; Q500-W548 HydrophobicContact CG-CH2 4.43Å; F538-W548 HydrophobicContact CD2-CB 4.23Å; F538-W548 HydrophobicContact CE1-CB 4.39Å; F538-W548 HydrophobicContact CE1-CG 4.42Å; F538-W548 HydrophobicContact CE2-CB 3.88Å; F538-W548 HydrophobicContact CE2-CD2 4.11Å; F538-W548 AromaticContact CE2-CE3 3.56Å; F538-W548 HydrophobicContact CE2-CE3 3.56Å; F538-W548 HydrophobicContact CE2-CG 4.26Å; F538-W548 HydrophobicContact CE2-CZ3 4.48Å; F538-W548 HydrophobicContact CZ-CB 3.98Å; F538-W548 AromaticContact CZ-CD2 3.71Å; F538-W548 HydrophobicContact CZ-CD2 3.71Å; F538-W548 AromaticContact CZ-CE3 3.41Å; F538-W548 HydrophobicContact CZ-CE3 3.41Å; F538-W548 VanDerWaalsContact CZ-CE3 3.41Å; F538-W548 AromaticContact CZ-CG 3.94Å; F538-W548 HydrophobicContact CZ-CG 3.94Å; F538-W548 HydrophobicContact CZ-CZ3 4.23Å; F538-W548 WeakPolarHBondContact O-CB 3.23Å; F538-W548 PolarHBondContact O-N 3.26Å; F538-W548 VanDerWaalsContact O-N 3.09Å; T546-W548 VanDerWaalsContact C-N 3.26Å; T546-W548 PolarHBondContact O-N 3.05Å; W548-W550 VanDerWaalsContact C-N 3.31Å; W548-W550 PolarHBondContact O-N 3.24Å; W548-F551 HydrophobicContact CE3-CD1 4.24Å; W548-F551 AromaticContact CZ3-CD1 3.81Å; W548-F551 HydrophobicContact CZ3-CD1 3.81Å; W548-F551 HydrophobicContact CZ3-CE1 4.29Å; W548-F551 PolarHBondContact O-N 2.66Å; W548-D552 HydrophobicContact CD2-CB 4.32Å; W548-D552 HydrophobicContact CH2-CB 4.24Å; W548-D552 HydrophobicContact CZ2-CB 3.76Å; W548-D552 WeakPolarHBondContact O-CB 3.21Å; W548-D552 PolarHBondContact O-N 2.95Å
549V90.8Very high86.1Confident26 Ų2642.2 Ų42.216%0.15824%0.241CC..Hα-helixtrans-60.3-43.4177.7171.90000111T546 G553 V601T546-V549 PolarHBondContact O-N 3.19Å; T546-V549 VanDerWaalsContact O-N 3.14Å; T546-V549 VanDerWaalsContact OG1-CG2 3.23Å; T546-V549 WeakPolarHBondContact OG1-CG2 3.37Å; T546-V549 PolarHBondContact OG1-N 3.04Å; V549-G553 PolarHBondContact O-N 3.37Å; V549-V601 HydrophobicContact CG1-CG1 4.3Å; V549-V601 HydrophobicContact CG1-CG2 4.49Å
550W91.7Very high86.2Confident13 Ų1344.7 Ų44.75%0.04926%0.258CS..Hα-helixtrans-61.2-52.4175.3166.976.3000112.3K520 T546 F547 W548 D552 G553 I554 F574 S597K520-W550 HydrophobicContact CD-CE3 4.39Å; K520-W550 HydrophobicContact CD-CH2 3.63Å; K520-W550 HydrophobicContact CD-CZ2 4.03Å; K520-W550 HydrophobicContact CD-CZ3 3.85Å; T546-W550 PolarHBondContact O-N 2.83Å; F547-W550 AromaticContact CD2-CE3 3.95Å; F547-W550 HydrophobicContact CD2-CE3 3.95Å; F547-W550 HydrophobicContact CD2-CZ3 4.05Å; F547-W550 AromaticContact CE2-CE3 3.9Å; F547-W550 HydrophobicContact CE2-CE3 3.9Å; F547-W550 AromaticContact CE2-CZ3 3.56Å; F547-W550 HydrophobicContact CE2-CZ3 3.56Å; F547-W550 HydrophobicContact CZ-CZ3 4.22Å; F547-W550 PolarHBondContact O-N 3.37Å; W548-W550 VanDerWaalsContact C-N 3.31Å; W548-W550 PolarHBondContact O-N 3.24Å; W550-D552 PolarHBondContact O-N 2.71Å; W550-G553 PolarHBondContact O-N 2.75Å; W550-I554 HydrophobicContact CD2-CD1 4.14Å; W550-I554 VanDerWaalsContact CE2-CD1 3.49Å; W550-I554 HydrophobicContact CH2-CD1 4.28Å; W550-I554 HydrophobicContact CZ2-CD1 3.59Å; W550-I554 PolarHBondContact O-N 2.8Å; W550-I554 VanDerWaalsContact O-N 3.17Å; W550-F574 AromaticContact CH2-CD1 3.83Å; W550-F574 HydrophobicContact CH2-CD1 3.83Å; W550-F574 AromaticContact CH2-CE1 3.68Å; W550-F574 HydrophobicContact CH2-CE1 3.68Å; W550-F574 HydrophobicContact CZ2-CD1 4.34Å; W550-F574 HydrophobicContact CZ2-CE1 4.17Å; W550-F574 HydrophobicContact CZ3-CE1 4.32Å; W550-S597 PolarHBondContact NE1-O 3.27Å
551F93.3Very high86.6Confident0 Ų042.9 Ų42.90%025%0.249CC..Hα-helixtrans-63.2-44.7-177.4-178.1-91.9000111.7L497 Q500 F501 L509 I517 F547 W548 I554 L555 F574L497-F551 HydrophobicContact CB-CE1 4.3Å; L497-F551 HydrophobicContact CB-CE2 4.19Å; L497-F551 HydrophobicContact CB-CZ 3.68Å; L497-F551 HydrophobicContact CD1-CE2 4.21Å; L497-F551 HydrophobicContact CD1-CZ 4.4Å; L497-F551 HydrophobicContact CD2-CD1 3.97Å; L497-F551 HydrophobicContact CD2-CE1 3.67Å; L497-F551 HydrophobicContact CD2-CE2 4.26Å; L497-F551 HydrophobicContact CD2-CG 4.37Å; L497-F551 HydrophobicContact CD2-CZ 3.8Å; L497-F551 HydrophobicContact CG-CE2 4.46Å; L497-F551 HydrophobicContact CG-CZ 4.16Å; Q500-F551 HydrophobicContact CB-CE1 4.31Å; Q500-F551 HydrophobicContact CG-CE1 4.45Å; F501-F551 HydrophobicContact CD2-CE1 4.16Å; F501-F551 HydrophobicContact CD2-CE2 4.31Å; F501-F551 AromaticContact CD2-CZ 3.6Å; F501-F551 HydrophobicContact CD2-CZ 3.6Å; F501-F551 AromaticContact CE2-CE1 3.85Å; F501-F551 HydrophobicContact CE2-CE1 3.85Å; F501-F551 AromaticContact CE2-CE2 3.69Å; F501-F551 HydrophobicContact CE2-CE2 3.69Å; F501-F551 AromaticContact CE2-CZ 3.31Å; F501-F551 HydrophobicContact CE2-CZ 3.31Å; L509-F551 HydrophobicContact CD1-CE2 4.19Å; L509-F551 HydrophobicContact CD1-CZ 4.21Å; I517-F551 HydrophobicContact CD1-CE2 3.98Å; F547-F551 HydrophobicContact CE1-CB 4.31Å; F547-F551 HydrophobicContact CZ-CB 4.45Å; F547-F551 HydrophobicContact CZ-CD2 4.38Å; F547-F551 WeakPolarHBondContact O-CB 3.49Å; F547-F551 PolarHBondContact O-N 3.11Å; W548-F551 HydrophobicContact CE3-CD1 4.24Å; W548-F551 AromaticContact CZ3-CD1 3.81Å; W548-F551 HydrophobicContact CZ3-CD1 3.81Å; W548-F551 HydrophobicContact CZ3-CE1 4.29Å; W548-F551 PolarHBondContact O-N 2.66Å; F551-I554 WeakPolarHBondContact O-CB 3.42Å; F551-I554 PolarHBondContact O-N 3.39Å; F551-L555 PolarHBondContact O-N 3.1Å; F551-F574 HydrophobicContact CD2-CE1 4.21Å; F551-F574 HydrophobicContact CD2-CZ 4.12Å; F551-F574 HydrophobicContact CE2-CE1 4.34Å; F551-F574 AromaticContact CE2-CZ 3.9Å; F551-F574 HydrophobicContact CE2-CZ 3.9Å
552D92.1Very high87.1Confident14 Ų1439.4 Ų39.48%0.07523%0.233CC..Hα-helixtrans-68.8-35.2178.8-178.772.9000112.9K326 Q460 W548 W550 I554 L555 A556K326-D552 WeakPolarHBondContact CE-OD1 3.48Å; K326-D552 IonicContact NZ-OD1 3.43Å; K326-D552 PolarHBondContact NZ-OD1 3.49Å; K326-D552 IonicContact NZ-OD2 2.64Å; K326-D552 PolarHBondContact NZ-OD2 2.79Å; Q460-D552 WeakPolarHBondContact CG-OD2 3.25Å; Q460-D552 PolarHBondContact NE2-OD2 2.87Å; W548-D552 HydrophobicContact CD2-CB 4.32Å; W548-D552 HydrophobicContact CH2-CB 4.24Å; W548-D552 HydrophobicContact CZ2-CB 3.76Å; W548-D552 WeakPolarHBondContact O-CB 3.21Å; W548-D552 PolarHBondContact O-N 2.95Å; W550-D552 PolarHBondContact O-N 2.71Å; D552-I554 VanDerWaalsContact C-N 3.27Å; D552-I554 PolarHBondContact O-N 3.43Å; D552-L555 PolarHBondContact O-N 3.48Å; D552-A556 WeakPolarHBondContact O-CB 3.35Å; D552-A556 PolarHBondContact O-N 3.1Å
553G91.8Very high88.2Confident14 Ų1436.6 Ų36.614%0.14422%0.216CC..Hα-helixtrans-60.2-39172.300000112.1V549 W550 M557 G602V549-G553 PolarHBondContact O-N 3.37Å; W550-G553 PolarHBondContact O-N 2.75Å; G553-M557 WeakPolarHBondContact O-CB 3.39Å; G553-M557 PolarHBondContact O-N 2.89Å; G553-M557 VanDerWaalsContact O-N 3.16Å; G553-G602 WeakPolarHBondContact O-CA 3.4Å
554I93.1Very high89.3Confident0 Ų037.6 Ų37.60%021%0.21CC..Hα-helixtrans-64.3-50.2172-66.2167.7000110.2F501 W550 F551 D552 A556 M557 V558 F574 F596F501-I554 HydrophobicContact CZ-CG2 4.04Å; W550-I554 HydrophobicContact CD2-CD1 4.14Å; W550-I554 VanDerWaalsContact CE2-CD1 3.49Å; W550-I554 HydrophobicContact CH2-CD1 4.28Å; W550-I554 HydrophobicContact CZ2-CD1 3.59Å; W550-I554 PolarHBondContact O-N 2.8Å; W550-I554 VanDerWaalsContact O-N 3.17Å; F551-I554 WeakPolarHBondContact O-CB 3.42Å; F551-I554 PolarHBondContact O-N 3.39Å; D552-I554 VanDerWaalsContact C-N 3.27Å; D552-I554 PolarHBondContact O-N 3.43Å; I554-A556 VanDerWaalsContact C-N 3.32Å; I554-A556 PolarHBondContact O-N 3.37Å; I554-M557 WeakPolarHBondContact O-CB 3.42Å; I554-M557 PolarHBondContact O-N 2.92Å; I554-M557 VanDerWaalsContact O-N 3.14Å; I554-V558 HydrophobicContact CG2-CG2 4.18Å; I554-V558 WeakPolarHBondContact O-CG2 3.47Å; I554-V558 PolarHBondContact O-N 2.76Å; I554-F574 HydrophobicContact CD1-CE1 3.93Å; I554-F574 HydrophobicContact CD1-CZ 4.4Å; I554-F574 HydrophobicContact CG2-CZ 4.2Å; I554-F596 HydrophobicContact CD1-CB 3.67Å; I554-F596 HydrophobicContact CD1-CD2 4.38Å; I554-F596 HydrophobicContact CD1-CG 4.12Å; I554-F596 HydrophobicContact CG1-CB 4.09Å; I554-F596 HydrophobicContact CG1-CG 4.25Å; I554-F596 HydrophobicContact CG2-CB 4.26Å; I554-F596 HydrophobicContact CG2-CD1 3.74Å; I554-F596 HydrophobicContact CG2-CD2 3.42Å; I554-F596 VanDerWaalsContact CG2-CD2 3.42Å; I554-F596 HydrophobicContact CG2-CE1 3.88Å; I554-F596 HydrophobicContact CG2-CE2 3.56Å; I554-F596 HydrophobicContact CG2-CG 3.52Å; I554-F596 HydrophobicContact CG2-CZ 3.8Å
555L92.9Very high90.5Very high16 Ų1632.5 Ų32.58%0.08418%0.176CC..Hα-helixtrans-56.3-45.8-179.4-178.264.7000112.1Q500 F501 A504 F551 D552 M557 V558 K559Q500-L555 HydrophobicContact CB-CD2 3.79Å; F501-L555 HydrophobicContact CB-CD1 4.45Å; F501-L555 HydrophobicContact CD1-CD1 3.97Å; F501-L555 HydrophobicContact CD2-CD1 3.9Å; F501-L555 HydrophobicContact CE1-CD1 4.15Å; F501-L555 HydrophobicContact CE2-CB 4.41Å; F501-L555 HydrophobicContact CE2-CD1 4.05Å; F501-L555 HydrophobicContact CG-CD1 3.86Å; F501-L555 HydrophobicContact CZ-CB 4.43Å; F501-L555 HydrophobicContact CZ-CD1 4.18Å; A504-L555 HydrophobicContact CB-CD1 3.79Å; A504-L555 HydrophobicContact CB-CG 4.43Å; F551-L555 PolarHBondContact O-N 3.1Å; D552-L555 PolarHBondContact O-N 3.48Å; L555-M557 VanDerWaalsContact C-N 3.35Å; L555-M557 PolarHBondContact O-N 3.33Å; L555-V558 PolarHBondContact O-N 3.02Å; L555-K559 WeakPolarHBondContact O-CB 3.21Å; L555-K559 PolarHBondContact O-N 3.21Å
556A91.6Very high91.3Very high47 Ų4727.9 Ų27.939%0.38815%0.151SC..Hα-helixtrans-62.7-40.317800000112.4D552 I554 S560D552-A556 WeakPolarHBondContact O-CB 3.35Å; D552-A556 PolarHBondContact O-N 3.1Å; I554-A556 VanDerWaalsContact C-N 3.32Å; I554-A556 PolarHBondContact O-N 3.37Å; A556-S560 WeakPolarHBondContact O-CB 3.44Å; A556-S560 PolarHBondContact O-N 3.25Å; A556-S560 VanDerWaalsContact O-N 3.08Å; A556-S560 PolarHBondContact O-OG 2.81Å
557M92.8Very high91.4Very high7 Ų731.6 Ų31.63%0.03416%0.164CC..Hα-helixtrans-64.6-46.2174.8177.2-17658.300111.3G553 I554 L555 S560 Y561 L562 F596 G602 I604 L632G553-M557 WeakPolarHBondContact O-CB 3.39Å; G553-M557 PolarHBondContact O-N 2.89Å; G553-M557 VanDerWaalsContact O-N 3.16Å; I554-M557 WeakPolarHBondContact O-CB 3.42Å; I554-M557 PolarHBondContact O-N 2.92Å; I554-M557 VanDerWaalsContact O-N 3.14Å; L555-M557 VanDerWaalsContact C-N 3.35Å; L555-M557 PolarHBondContact O-N 3.33Å; M557-S560 PolarHBondContact O-N 3.33Å; M557-Y561 HydrophobicContact CG-CD2 4.31Å; M557-Y561 PolarHBondContact O-N 3.31Å; M557-L562 HydrophobicContact CE-CD1 4.19Å; M557-L562 HydrophobicContact CG-CD1 4.25Å; M557-L562 HydrophobicContact SD-CD1 4.36Å; M557-F596 HydrophobicContact CE-CD1 3.62Å; M557-F596 HydrophobicContact CE-CE1 3.75Å; M557-G602 VanDerWaalsContact SD-C 3.58Å; M557-I604 HydrophobicContact CE-CB 3.95Å; M557-I604 HydrophobicContact CE-CG2 4.49Å; M557-I604 HydrophobicContact SD-CB 4.21Å; M557-I604 HydrophobicContact SD-CG2 4.12Å; M557-L632 HydrophobicContact CG-CD1 3.79Å; M557-L632 HydrophobicContact SD-CD1 3.78Å
558V92.9Very high91.1Very high0 Ų034.1 Ų34.10%018%0.176CC..Iπ-helixtrans-61.6-49.5-180177.30000110.3F501 T505 I554 L555 S560 L562 E563 W566 F596F501-V558 HydrophobicContact CE1-CB 4.46Å; F501-V558 HydrophobicContact CE1-CG2 4.22Å; T505-V558 HydrophobicContact CG2-CG1 3.76Å; I554-V558 HydrophobicContact CG2-CG2 4.18Å; I554-V558 WeakPolarHBondContact O-CG2 3.47Å; I554-V558 PolarHBondContact O-N 2.76Å; L555-V558 PolarHBondContact O-N 3.02Å; V558-S560 VanDerWaalsContact C-N 3.27Å; V558-S560 PolarHBondContact O-N 2.79Å; V558-L562 HydrophobicContact CG1-CB 4.47Å; V558-L562 HydrophobicContact CG2-CD1 4.48Å; V558-L562 CarbonylContact O-C 3.52Å; V558-L562 VanDerWaalsContact O-C 3.3Å; V558-L562 WeakPolarHBondContact O-CA 3.4Å; V558-L562 PolarHBondContact O-N 3.33Å; V558-E563 WeakPolarHBondContact O-CA 3.4Å; V558-E563 PolarHBondContact O-N 3.41Å; V558-W566 HydrophobicContact CG1-CB 3.61Å; V558-W566 HydrophobicContact CG1-CD2 4.15Å; V558-W566 HydrophobicContact CG1-CG 3.65Å; V558-F596 HydrophobicContact CG2-CE1 3.65Å; V558-F596 HydrophobicContact CG2-CE2 4.27Å; V558-F596 HydrophobicContact CG2-CZ 3.32Å
559K91.2Very high90.9Very high124 Ų12435.8 Ų35.854%0.53919%0.194SC..Iπ-helixtrans-57.1-39.2177.8-174.4179.5-178.5176.40112.9A504 L555A504-K559 HydrophobicContact CB-CD 4.25Å; L555-K559 WeakPolarHBondContact O-CB 3.21Å; L555-K559 PolarHBondContact O-N 3.21Å
560S90.8Very high90.9Very high78 Ų7835.9 Ų35.955%0.54519%0.193SC..Iπ-helixtrans-87.4-31.5-172.4-530000113.8A556 M557 V558A556-S560 WeakPolarHBondContact O-CB 3.44Å; A556-S560 PolarHBondContact O-N 3.25Å; A556-S560 VanDerWaalsContact O-N 3.08Å; A556-S560 PolarHBondContact O-OG 2.81Å; M557-S560 PolarHBondContact O-N 3.33Å; V558-S560 VanDerWaalsContact C-N 3.27Å; V558-S560 PolarHBondContact O-N 2.79Å
561Y90.4Very high90.9Very high73 Ų7335.3 Ų35.329%0.28619%0.191SC..Iπ-helixtrans-130-21.5-168.2-55.7-75.8000114.9M557 K629 L632 C633M557-Y561 HydrophobicContact CG-CD2 4.31Å; M557-Y561 PolarHBondContact O-N 3.31Å; Y561-K629 HydrophobicContact CE2-CB 4.38Å; Y561-K629 HydrophobicContact CE2-CD 4.37Å; Y561-K629 HydrophobicContact CE2-CG 3.78Å; Y561-K629 WeakPolarHBondContact OH-CE 3.13Å; Y561-K629 WeakPolarHBondContact OH-CG 3.48Å; Y561-L632 HydrophobicContact CD1-CB 3.88Å; Y561-L632 HydrophobicContact CD2-CB 4.27Å; Y561-L632 HydrophobicContact CD2-CD1 4.35Å; Y561-L632 HydrophobicContact CE1-CB 4.47Å; Y561-L632 HydrophobicContact CG-CB 3.78Å; Y561-L632 HydrophobicContact CG-CD1 4.22Å; Y561-C633 PolarHBondContact OH-SG 3.03Å
562L91.6Very high90.8Very high1 Ų137.9 Ų37.91%0.00520%0.204CC..Iπ-helixtrans-125.910.9-169.7-50.6170.3000113.3M557 V558 N564 I565 W566 I571 F596 I604 L632 F637M557-L562 HydrophobicContact CE-CD1 4.19Å; M557-L562 HydrophobicContact CG-CD1 4.25Å; M557-L562 HydrophobicContact SD-CD1 4.36Å; V558-L562 HydrophobicContact CG1-CB 4.47Å; V558-L562 HydrophobicContact CG2-CD1 4.48Å; V558-L562 CarbonylContact O-C 3.52Å; V558-L562 VanDerWaalsContact O-C 3.3Å; V558-L562 WeakPolarHBondContact O-CA 3.4Å; V558-L562 PolarHBondContact O-N 3.33Å; L562-N564 PolarHBondContact O-N 2.81Å; L562-I565 HydrophobicContact CD2-CD1 4.4Å; L562-I565 PolarHBondContact O-N 2.99Å; L562-I565 VanDerWaalsContact O-N 3.14Å; L562-W566 WeakPolarHBondContact O-CB 3.4Å; L562-W566 PolarHBondContact O-N 3.15Å; L562-I571 HydrophobicContact CB-CD1 4Å; L562-I571 HydrophobicContact CD1-CD1 4.23Å; L562-F596 HydrophobicContact CD1-CE1 4.32Å; L562-I604 HydrophobicContact CD1-CB 4.29Å; L562-I604 HydrophobicContact CD1-CD1 3.56Å; L562-I604 HydrophobicContact CD1-CG2 4.26Å; L562-L632 HydrophobicContact CD2-CD1 4.43Å; L562-L632 HydrophobicContact CG-CD1 4.5Å; L562-F637 HydrophobicContact CD2-CB 3.47Å; L562-F637 VanDerWaalsContact CD2-CB 3.47Å; L562-F637 HydrophobicContact CD2-CD1 3.74Å; L562-F637 HydrophobicContact CD2-CG 3.74Å
563E89.8Confident90.8Very high66 Ų6637.2 Ų37.231%0.30820%0.2SC..Hα-helixtrans-54.4-50.3-170.7-170.3-164.614900111.8T505 V558 I565 W566 R567T505-E563 HydrophobicContact CG2-CG 4.42Å; V558-E563 WeakPolarHBondContact O-CA 3.4Å; V558-E563 PolarHBondContact O-N 3.41Å; E563-I565 PolarHBondContact O-N 3.02Å; E563-W566 PolarHBondContact O-N 3.35Å; E563-R567 WeakPolarHBondContact O-CB 3.4Å; E563-R567 PolarHBondContact O-N 3.13Å; E563-R567 IonicContact OE1-NH1 2.8Å; E563-R567 PolarHBondContact OE1-NH1 3.39Å
564N87.9Confident90.9Very high71 Ų7136.8 Ų36.838%0.3819%0.194SC..Hα-helixtrans-64.1-40.6-178.9-66.8-34000112.5L562 R567 E568 W673L562-N564 PolarHBondContact O-N 2.81Å; N564-R567 PolarHBondContact OD1-NH1 2.84Å; N564-R567 PolarHBondContact OD1-NH2 3.38Å; N564-E568 WeakPolarHBondContact O-CB 3.43Å; N564-E568 WeakPolarHBondContact O-CG 3.48Å; N564-E568 PolarHBondContact O-N 3.3Å; N564-W673 HydrophobicContact CB-CZ2 3.83Å
565I90.3Very high90.7Very high5 Ų537 Ų373%0.02620%0.195CC..Hα-helixtrans-70.7-39-179.1-55.4177.8000110.1L562 E563 L570 I571 F637 H638 F670 W673L562-I565 HydrophobicContact CD2-CD1 4.4Å; L562-I565 PolarHBondContact O-N 2.99Å; L562-I565 VanDerWaalsContact O-N 3.14Å; E563-I565 PolarHBondContact O-N 3.02Å; I565-L570 HydrophobicContact CG2-CB 3.8Å; I565-L570 HydrophobicContact CG2-CD1 4.24Å; I565-L570 PolarHBondContact O-N 3.49Å; I565-I571 HydrophobicContact CB-CD1 4Å; I565-I571 HydrophobicContact CG2-CD1 3.68Å; I565-I571 HydrophobicContact CG2-CG1 3.75Å; I565-F637 HydrophobicContact CD1-CB 4.47Å; I565-F637 HydrophobicContact CD1-CD1 4.31Å; I565-H638 HydrophobicContact CD1-CB 4.35Å; I565-F670 HydrophobicContact CD1-CE1 4.47Å; I565-F670 HydrophobicContact CG2-CE1 3.79Å; I565-W673 HydrophobicContact CG1-CE3 4.43Å; I565-W673 HydrophobicContact CG1-CH2 4.23Å; I565-W673 HydrophobicContact CG1-CZ3 4.19Å
566W91.8Very high90.4Very high0 Ų037.8 Ų37.80%020%0.203CC..Hα-helixtrans-66.9-47176.5174.9-96000112F501 T505 R507 L509 Q513 V558 L562 E563 E568 G569 I571 F574 F596F501-W566 AromaticContact CD1-CE2 3.67Å; F501-W566 HydrophobicContact CD1-CH2 4.28Å; F501-W566 AromaticContact CD1-CZ2 3.54Å; F501-W566 HydrophobicContact CD1-CZ2 3.54Å; F501-W566 AromaticContact CD1-NE1 3.83Å; F501-W566 HydrophobicContact CE1-CH2 4.2Å; F501-W566 AromaticContact CE1-CZ2 3.9Å; F501-W566 HydrophobicContact CE1-CZ2 3.9Å; F501-W566 HydrophobicContact CG-CZ2 4.31Å; T505-W566 PolarHBondContact OG1-NE1 3.41Å; T505-W566 VanDerWaalsContact OG1-NE1 3.13Å; R507-W566 VanDerWaalsContact CD-O 3.23Å; R507-W566 WeakPolarHBondContact CD-O 3.37Å; R507-W566 PolarHBondContact NH1-O 3.31Å; R507-W566 PolarHBondContact O-NE1 3.26Å; L509-W566 HydrophobicContact CD2-CH2 4.13Å; L509-W566 HydrophobicContact CD2-CZ2 4.13Å; Q513-W566 VanDerWaalsContact NE2-CH2 3.34Å; V558-W566 HydrophobicContact CG1-CB 3.61Å; V558-W566 HydrophobicContact CG1-CD2 4.15Å; V558-W566 HydrophobicContact CG1-CG 3.65Å; L562-W566 WeakPolarHBondContact O-CB 3.4Å; L562-W566 PolarHBondContact O-N 3.15Å; E563-W566 PolarHBondContact O-N 3.35Å; W566-E568 PolarHBondContact O-N 2.77Å; W566-G569 PolarHBondContact O-N 2.87Å; W566-G569 VanDerWaalsContact O-N 3.16Å; W566-I571 HydrophobicContact CB-CD1 4.42Å; W566-I571 HydrophobicContact CE3-CB 3.99Å; W566-I571 HydrophobicContact CE3-CG2 3.93Å; W566-I571 HydrophobicContact CZ3-CB 4.48Å; W566-I571 HydrophobicContact CZ3-CG2 4.07Å; W566-F574 HydrophobicContact CH2-CE2 4.45Å; W566-F596 HydrophobicContact CE3-CE2 4.3Å; W566-F596 HydrophobicContact CE3-CZ 4.09Å; W566-F596 HydrophobicContact CH2-CE2 4.46Å; W566-F596 AromaticContact CZ3-CE2 3.77Å; W566-F596 HydrophobicContact CZ3-CE2 3.77Å; W566-F596 HydrophobicContact CZ3-CZ 4.03Å
567R87.9Confident90.1Very high91 Ų9139.4 Ų39.434%0.34320%0.199SC..Hα-helixtrans-56.9-37.1179.5-174.7172.264.1-128.6-2.5112.1E563 N564 G569E563-R567 WeakPolarHBondContact O-CB 3.4Å; E563-R567 PolarHBondContact O-N 3.13Å; E563-R567 IonicContact OE1-NH1 2.8Å; E563-R567 PolarHBondContact OE1-NH1 3.39Å; N564-R567 PolarHBondContact OD1-NH1 2.84Å; N564-R567 PolarHBondContact OD1-NH2 3.38Å; R567-G569 VanDerWaalsContact C-N 3.3Å; R567-G569 PolarHBondContact O-N 3.31Å
568E86.1Confident89.6Confident68 Ų6841.6 Ų41.632%0.31822%0.223SC..THydrogen-bonded Turntrans-82.47.3-178.2-73.1-93.5-156.500114.9R24 N564 W566 L570 K672 W673R24-E568 IonicContact CZ-OE1 3.02Å; R24-E568 IonicContact NH1-OE1 2.82Å; R24-E568 IonicContact NH2-OE1 3.64Å; R24-E568 PolarHBondContact NH2-OE1 3.24Å; R24-E568 IonicContact NH2-OE2 2.65Å; N564-E568 WeakPolarHBondContact O-CB 3.43Å; N564-E568 WeakPolarHBondContact O-CG 3.48Å; N564-E568 PolarHBondContact O-N 3.3Å; W566-E568 PolarHBondContact O-N 2.77Å; E568-L570 VanDerWaalsContact C-N 3.32Å; E568-L570 HydrophobicContact CB-CD1 4.32Å; E568-L570 HydrophobicContact CB-CG 4.13Å; E568-L570 PolarHBondContact O-N 3.34Å; E568-K672 IonicContact OE1-NZ 3.92Å; E568-K672 PolarHBondContact OE1-NZ 3.48Å; E568-K672 IonicContact OE2-NZ 3.16Å; E568-K672 PolarHBondContact OE2-NZ 3.47Å; E568-W673 HydrophobicContact CB-CH2 4.15Å; E568-W673 HydrophobicContact CG-CH2 4.07Å; E568-W673 HydrophobicContact CG-CZ2 4.11Å
569G88.7Confident89.3Confident37 Ų3744.9 Ų44.938%0.38124%0.237SC..THydrogen-bonded Turntrans87.1-6.4176.200000115.8W566 R567 I571W566-G569 PolarHBondContact O-N 2.87Å; W566-G569 VanDerWaalsContact O-N 3.16Å; R567-G569 VanDerWaalsContact C-N 3.3Å; R567-G569 PolarHBondContact O-N 3.31Å; G569-I571 PolarHBondContact O-N 2.7Å
570L89.9Confident89.1Confident29 Ų2939.1 Ų39.115%0.15221%0.212CC..  trans-81.2-15.9-163.3-55.8178000114.4I565 E568 L660 A669 F670 W673I565-L570 HydrophobicContact CG2-CB 3.8Å; I565-L570 HydrophobicContact CG2-CD1 4.24Å; I565-L570 PolarHBondContact O-N 3.49Å; E568-L570 VanDerWaalsContact C-N 3.32Å; E568-L570 HydrophobicContact CB-CD1 4.32Å; E568-L570 HydrophobicContact CB-CG 4.13Å; E568-L570 PolarHBondContact O-N 3.34Å; L570-L660 HydrophobicContact CB-CD2 3.99Å; L570-L660 HydrophobicContact CD2-CD2 3.86Å; L570-L660 HydrophobicContact CG-CD2 4.47Å; L570-A669 VanDerWaalsContact CD1-O 3.23Å; L570-A669 WeakPolarHBondContact CD1-O 3.22Å; L570-A669 HydrophobicContact CD2-CB 4.24Å; L570-F670 HydrophobicContact CB-CE1 4.44Å; L570-F670 HydrophobicContact CB-CZ 4.46Å; L570-F670 HydrophobicContact CD1-CD1 4.36Å; L570-F670 HydrophobicContact CD1-CE1 4.17Å; L570-W673 HydrophobicContact CD1-CH2 3.56Å; L570-W673 HydrophobicContact CD1-CZ3 3.39Å
571I93.1Very high88.7Confident1 Ų138.6 Ų38.61%0.00520%0.2CC..  trans-101.3122.4175-67.8159.8000108.7L562 I565 W566 G569 L594 F596 I604L562-I571 HydrophobicContact CB-CD1 4Å; L562-I571 HydrophobicContact CD1-CD1 4.23Å; I565-I571 HydrophobicContact CB-CD1 4Å; I565-I571 HydrophobicContact CG2-CD1 3.68Å; I565-I571 HydrophobicContact CG2-CG1 3.75Å; W566-I571 HydrophobicContact CB-CD1 4.42Å; W566-I571 HydrophobicContact CE3-CB 3.99Å; W566-I571 HydrophobicContact CE3-CG2 3.93Å; W566-I571 HydrophobicContact CZ3-CB 4.48Å; W566-I571 HydrophobicContact CZ3-CG2 4.07Å; G569-I571 PolarHBondContact O-N 2.7Å; I571-L594 HydrophobicContact CG1-CB 4.28Å; I571-L594 HydrophobicContact CG1-CD1 3.84Å; I571-L594 HydrophobicContact CG2-CB 4.45Å; I571-F596 HydrophobicContact CG2-CE1 4.33Å; I571-F596 HydrophobicContact CG2-CE2 4.36Å; I571-F596 HydrophobicContact CG2-CZ 3.89Å; I571-I604 HydrophobicContact CD1-CD1 4.12Å; I571-I604 HydrophobicContact CG1-CD1 4.34Å
572M90.3Very high88.5Confident53 Ų5340.4 Ų40.426%0.26121%0.214SC..  trans-74.5-34.7172.3-161.9175.9-70.500111.1Q513 F574 V575 L583 L593 L594 Y661Q513-M572 PolarHBondContact NE2-O 2.91Å; M572-F574 PolarHBondContact O-N 3.41Å; M572-V575 HydrophobicContact CB-CG2 4Å; M572-V575 HydrophobicContact CG-CG2 3.43Å; M572-V575 VanDerWaalsContact CG-CG2 3.43Å; M572-V575 HydrophobicContact SD-CG2 3.42Å; M572-V575 WeakPolarHBondContact SD-CG2 3.38Å; M572-L583 HydrophobicContact CE-CD1 4.5Å; M572-L583 HydrophobicContact SD-CD1 4.04Å; M572-L593 HydrophobicContact CB-CD2 4.33Å; M572-L593 HydrophobicContact CB-CG 4.3Å; M572-L593 HydrophobicContact CE-CD1 3.75Å; M572-L593 HydrophobicContact CE-CG 4.32Å; M572-L593 HydrophobicContact SD-CD1 3.53Å; M572-L593 VanDerWaalsContact SD-CD1 3.53Å; M572-L593 HydrophobicContact SD-CG 4.16Å; M572-L594 PolarHBondContact N-O 2.75Å; M572-Y661 HydrophobicContact CE-CD1 3.19Å; M572-Y661 HydrophobicContact CE-CE1 3.45Å; M572-Y661 VanDerWaalsContact CE-CE1 3.45Å; M572-Y661 HydrophobicContact CE-CG 3.99Å
573G92.4Very high88.4Confident0 Ų042.4 Ų42.40%023%0.225CC..BIsolated β-bridgetrans77-89.8165.400000113.2V575 L594 R595 F596G573-V575 PolarHBondContact O-N 3.34Å; G573-L594 PolarHBondContact N-O 3.36Å; G573-R595 CarbonylContact O-C 3.55Å; G573-R595 VanDerWaalsContact O-CA 3.27Å; G573-R595 WeakPolarHBondContact O-CA 3.2Å; G573-R595 WeakPolarHBondContact O-CB 3.35Å; G573-F596 VanDerWaalsContact CA-CD2 3.47Å; G573-F596 PolarHBondContact O-N 3.24Å
574F92.9Very high88.2Confident5 Ų539.2 Ų39.22%0.02221%0.21CC..SBendtrans-89.587.9-173.8-62.2-83.5000111.2F501 L509 Q513 M516 I517 W550 F551 I554 W566 M572 F596F501-F574 HydrophobicContact CE1-CE2 4.43Å; F501-F574 HydrophobicContact CE2-CE2 4.08Å; F501-F574 AromaticContact CE2-CZ 3.95Å; F501-F574 HydrophobicContact CE2-CZ 3.95Å; F501-F574 AromaticContact CZ-CE2 3.79Å; F501-F574 HydrophobicContact CZ-CE2 3.79Å; F501-F574 AromaticContact CZ-CZ 3.75Å; F501-F574 HydrophobicContact CZ-CZ 3.75Å; L509-F574 HydrophobicContact CD2-CD2 3.78Å; L509-F574 HydrophobicContact CD2-CE2 3.44Å; L509-F574 VanDerWaalsContact CD2-CE2 3.44Å; L509-F574 HydrophobicContact CD2-CZ 4.43Å; Q513-F574 HydrophobicContact CB-CB 3.99Å; Q513-F574 HydrophobicContact CB-CD2 4.09Å; Q513-F574 HydrophobicContact CB-CG 4.46Å; Q513-F574 HydrophobicContact CG-CB 4.14Å; Q513-F574 HydrophobicContact CG-CD2 4.21Å; M516-F574 HydrophobicContact CB-CB 4.28Å; M516-F574 VanDerWaalsContact CB-O 3.23Å; M516-F574 WeakPolarHBondContact CB-O 3.45Å; M516-F574 HydrophobicContact CG-CB 4.38Å; M516-F574 WeakPolarHBondContact CG-O 3.37Å; M516-F574 HydrophobicContact SD-CB 3.96Å; I517-F574 HydrophobicContact CD1-CD1 3.9Å; I517-F574 HydrophobicContact CD1-CD2 4.19Å; I517-F574 HydrophobicContact CD1-CE1 4.05Å; I517-F574 HydrophobicContact CD1-CE2 4.35Å; I517-F574 HydrophobicContact CD1-CG 3.96Å; I517-F574 HydrophobicContact CD1-CZ 4.26Å; I517-F574 HydrophobicContact CG1-CB 4.31Å; I517-F574 HydrophobicContact CG1-CD1 3.72Å; I517-F574 HydrophobicContact CG1-CE1 4.19Å; I517-F574 HydrophobicContact CG1-CG 4Å; W550-F574 AromaticContact CH2-CD1 3.83Å; W550-F574 HydrophobicContact CH2-CD1 3.83Å; W550-F574 AromaticContact CH2-CE1 3.68Å; W550-F574 HydrophobicContact CH2-CE1 3.68Å; W550-F574 HydrophobicContact CZ2-CD1 4.34Å; W550-F574 HydrophobicContact CZ2-CE1 4.17Å; W550-F574 HydrophobicContact CZ3-CE1 4.32Å; F551-F574 HydrophobicContact CD2-CE1 4.21Å; F551-F574 HydrophobicContact CD2-CZ 4.12Å; F551-F574 HydrophobicContact CE2-CE1 4.34Å; F551-F574 AromaticContact CE2-CZ 3.9Å; F551-F574 HydrophobicContact CE2-CZ 3.9Å; I554-F574 HydrophobicContact CD1-CE1 3.93Å; I554-F574 HydrophobicContact CD1-CZ 4.4Å; I554-F574 HydrophobicContact CG2-CZ 4.2Å; W566-F574 HydrophobicContact CH2-CE2 4.45Å; M572-F574 PolarHBondContact O-N 3.41Å; F574-F596 HydrophobicContact CD2-CD2 4.29Å; F574-F596 HydrophobicContact CD2-CE2 4.44Å; F574-F596 HydrophobicContact CE1-CD2 4.31Å; F574-F596 HydrophobicContact CE2-CD2 4.04Å; F574-F596 HydrophobicContact CE2-CE2 4.04Å; F574-F596 HydrophobicContact CZ-CD2 4.06Å; F574-F596 HydrophobicContact CZ-CE2 4.36Å
575V89.6Confident88Confident4 Ų441.2 Ų41.22%0.02422%0.215CC..  trans-134.4129.8178-169.60000109.9M516 M572 G573 K579 E580 L593 R595M516-V575 VanDerWaalsContact CE-C 3.46Å; M572-V575 HydrophobicContact CB-CG2 4Å; M572-V575 HydrophobicContact CG-CG2 3.43Å; M572-V575 VanDerWaalsContact CG-CG2 3.43Å; M572-V575 HydrophobicContact SD-CG2 3.42Å; M572-V575 WeakPolarHBondContact SD-CG2 3.38Å; G573-V575 PolarHBondContact O-N 3.34Å; V575-K579 HydrophobicContact CG1-CB 4.06Å; V575-K579 HydrophobicContact CG1-CD 4.5Å; V575-K579 HydrophobicContact CG1-CG 4.27Å; V575-E580 HydrophobicContact CG1-CB 3.93Å; V575-L593 HydrophobicContact CG2-CD2 4.32Å; V575-R595 HydrophobicContact CB-CB 4.45Å
576S87.2Confident87.6Confident34 Ų3449.6 Ų49.624%0.23825%0.251CS..  trans-73.4150.8176.669.20000111.3G578 K579 E580S576-G578 PolarHBondContact O-N 3.42Å; S576-G578 VanDerWaalsContact O-N 3.11Å; S576-K579 PolarHBondContact O-N 3.02Å; S576-K579 WeakPolarHBondContact OG-CB 3.32Å; S576-K579 PolarHBondContact OG-N 3.46Å; S576-E580 WeakPolarHBondContact O-CB 3.43Å; S576-E580 PolarHBondContact O-N 3.28Å
577R83.6Confident87.3Confident80 Ų8052 Ų5230%0.30226%0.262SS..Hα-helixtrans-51.6-38.5177.5-63.1-170.6-170.1-161.44.1112.3K581 E698 E702R577-K581 VanDerWaalsContact O-CG 3.27Å; R577-K581 WeakPolarHBondContact O-CG 3.5Å; R577-K581 PolarHBondContact O-N 3.12Å; R577-K581 VanDerWaalsContact O-N 3.11Å; R577-E698 IonicContact CZ-OE1 3.33Å; R577-E698 IonicContact NH1-OE1 2.71Å; R577-E698 PolarHBondContact NH1-OE1 2.91Å; R577-E702 IonicContact NH1-OE2 2.74Å; R577-E702 IonicContact NH2-OE2 2.74Å
578G83.5Confident87.2Confident53 Ų5351.7 Ų51.755%0.54626%0.263SS..Hα-helixtrans-68.1-43.4177.900000113.7S576 K581 L582S576-G578 PolarHBondContact O-N 3.42Å; S576-G578 VanDerWaalsContact O-N 3.11Å; G578-K581 PolarHBondContact O-N 3.13Å; G578-L582 PolarHBondContact O-N 2.96Å; G578-L582 VanDerWaalsContact O-N 3.16Å
579K85.6Confident87.1Confident70 Ų7053.9 Ų53.930%0.30427%0.268SS..Hα-helixtrans-69.7-42.1178.8-172.4175.7-179.2-176.60110.8D512 V575 S576 K581 L582 L583D512-K579 IonicContact OD1-NZ 3.79Å; D512-K579 PolarHBondContact OD1-NZ 3.25Å; V575-K579 HydrophobicContact CG1-CB 4.06Å; V575-K579 HydrophobicContact CG1-CD 4.5Å; V575-K579 HydrophobicContact CG1-CG 4.27Å; S576-K579 PolarHBondContact O-N 3.02Å; S576-K579 WeakPolarHBondContact OG-CB 3.32Å; S576-K579 PolarHBondContact OG-N 3.46Å; K579-K581 VanDerWaalsContact C-N 3.34Å; K579-K581 PolarHBondContact O-N 3.08Å; K579-L582 WeakPolarHBondContact O-CB 3.45Å; K579-L582 PolarHBondContact O-N 2.87Å; K579-L582 VanDerWaalsContact O-N 3.14Å; K579-L583 HydrophobicContact CG-CD1 4.29Å; K579-L583 HydrophobicContact CG-CG 4.47Å; K579-L583 WeakPolarHBondContact O-CG 3.45Å; K579-L583 PolarHBondContact O-N 3.25Å
580E87Confident86.9Confident2 Ų252.2 Ų52.21%0.00925%0.251CS..Hα-helixtrans-54.6-48.9173.4174.3179.8-130.300111.5V575 S576 L582 L583 L584 L593 R595 S607V575-E580 HydrophobicContact CG1-CB 3.93Å; S576-E580 WeakPolarHBondContact O-CB 3.43Å; S576-E580 PolarHBondContact O-N 3.28Å; E580-L582 VanDerWaalsContact C-N 3.3Å; E580-L582 PolarHBondContact O-N 2.92Å; E580-L583 PolarHBondContact O-N 3.23Å; E580-L584 HydrophobicContact CG-CD1 3.91Å; E580-L584 WeakPolarHBondContact O-CB 3.28Å; E580-L584 PolarHBondContact O-N 3.02Å; E580-L593 HydrophobicContact CG-CD2 4.39Å; E580-R595 WeakPolarHBondContact OE1-CD 3.39Å; E580-R595 IonicContact OE1-NE 2.9Å; E580-R595 PolarHBondContact OE1-NE 3.47Å; E580-R595 VanDerWaalsContact OE1-NE 3.14Å; E580-R595 WeakPolarHBondContact OE2-CD 3.46Å; E580-R595 IonicContact OE2-CZ 2.73Å; E580-R595 IonicContact OE2-NE 3.42Å; E580-R595 PolarHBondContact OE2-NE 2.86Å; E580-R595 IonicContact OE2-NH2 3.78Å; E580-S607 WeakPolarHBondContact OE1-CB 3.39Å; E580-S607 PolarHBondContact OE1-OG 3.22Å; E580-S607 PolarHBondContact OE2-OG 3.41Å
581K83.6Confident86.8Confident68 Ų6850.8 Ų50.830%0.29624%0.244SC..Hα-helixtrans-58.4-42.4176.6-73178.1-175.1-174.80112.1R577 G578 K579 K585 I621 E698R577-K581 VanDerWaalsContact O-CG 3.27Å; R577-K581 WeakPolarHBondContact O-CG 3.5Å; R577-K581 PolarHBondContact O-N 3.12Å; R577-K581 VanDerWaalsContact O-N 3.11Å; G578-K581 PolarHBondContact O-N 3.13Å; K579-K581 VanDerWaalsContact C-N 3.34Å; K579-K581 PolarHBondContact O-N 3.08Å; K581-K585 VanDerWaalsContact O-CB 3.26Å; K581-K585 WeakPolarHBondContact O-CB 3.49Å; K581-K585 WeakPolarHBondContact O-CG 3.1Å; K581-K585 PolarHBondContact O-N 2.98Å; K581-I621 HydrophobicContact CB-CD1 3.98Å; K581-I621 HydrophobicContact CG-CD1 3.9Å; K581-E698 IonicContact NZ-OE2 3.51Å; K581-E698 PolarHBondContact NZ-OE2 2.99Å
582L86.6Confident86.8Confident111 Ų11150.8 Ų50.858%0.58124%0.243SC*.Hα-helixtrans-64.4-39.9178.4-173.269.4000112.7G578 K579 E580G578-L582 PolarHBondContact O-N 2.96Å; G578-L582 VanDerWaalsContact O-N 3.16Å; K579-L582 WeakPolarHBondContact O-CB 3.45Å; K579-L582 PolarHBondContact O-N 2.87Å; K579-L582 VanDerWaalsContact O-N 3.14Å; E580-L582 VanDerWaalsContact C-N 3.3Å; E580-L582 PolarHBondContact O-N 2.92Å
583L87.8Confident86.9Confident42 Ų4248.3 Ų48.322%0.2223%0.231CC..Hα-helixtrans-69.8-44.1179.8-68.2175.1000111.7M572 K579 E580 K587 L593 Y661M572-L583 HydrophobicContact CE-CD1 4.5Å; M572-L583 HydrophobicContact SD-CD1 4.04Å; K579-L583 HydrophobicContact CG-CD1 4.29Å; K579-L583 HydrophobicContact CG-CG 4.47Å; K579-L583 WeakPolarHBondContact O-CG 3.45Å; K579-L583 PolarHBondContact O-N 3.25Å; E580-L583 PolarHBondContact O-N 3.23Å; L583-K587 WeakPolarHBondContact O-CG 3.4Å; L583-L593 HydrophobicContact CD1-CD1 4.24Å; L583-Y661 HydrophobicContact CB-CE2 4.19Å
584L86.4Confident86.9Confident0 Ų048.3 Ų48.30%023%0.231CC..Hα-helixtrans-76.8-32.2-177-72.4178.4000113E580 K586 K587 T591 L593 V609 I621E580-L584 HydrophobicContact CG-CD1 3.91Å; E580-L584 WeakPolarHBondContact O-CB 3.28Å; E580-L584 PolarHBondContact O-N 3.02Å; L584-K586 PolarHBondContact O-N 2.79Å; L584-K587 PolarHBondContact O-N 3.27Å; L584-T591 HydrophobicContact CD2-CG2 4.35Å; L584-L593 HydrophobicContact CD1-CB 4.33Å; L584-L593 HydrophobicContact CD2-CB 4.22Å; L584-V609 HydrophobicContact CB-CG2 3.67Å; L584-V609 HydrophobicContact CD2-CG2 4.14Å; L584-V609 HydrophobicContact CG-CG2 4.39Å; L584-V609 WeakPolarHBondContact O-CG2 3.19Å; L584-I621 HydrophobicContact CB-CD1 3.68Å; L584-I621 HydrophobicContact CB-CG1 4.21Å; L584-I621 HydrophobicContact CD1-CD1 4.47Å; L584-I621 HydrophobicContact CD1-CG2 4.03Å
585K83.8Confident87Confident112 Ų11248.5 Ų48.549%0.48723%0.232SC..THydrogen-bonded Turntrans-55-25179.8-88.6-179.8179.4-156.30115K581 P619 I621K581-K585 VanDerWaalsContact O-CB 3.26Å; K581-K585 WeakPolarHBondContact O-CB 3.49Å; K581-K585 WeakPolarHBondContact O-CG 3.1Å; K581-K585 PolarHBondContact O-N 2.98Å; K585-P619 VanDerWaalsContact O-CG 3.25Å; K585-P619 WeakPolarHBondContact O-CG 3.43Å; K585-I621 HydrophobicContact CG-CD1 4.3Å
586K81.8Confident87.2Confident181 Ų18148.4 Ų48.479%0.78723%0.231SC*.THydrogen-bonded Turntrans-98.77.2-177.9-62.3-176.6179.6-178.10113.4L584L584-K586 PolarHBondContact O-N 2.79Å
587K85.3Confident87.4Confident52 Ų5247 Ų4723%0.22622%0.221CC..SBendtrans-110.9161.3-171.9-67.3-64.4-168.8171.50112.4L583 L584 T591 Y661 P662 D663L583-K587 WeakPolarHBondContact O-CG 3.4Å; L584-K587 PolarHBondContact O-N 3.27Å; K587-T591 HydrophobicContact CB-CG2 4.02Å; K587-T591 HydrophobicContact CG-CG2 4.32Å; K587-Y661 HydrophobicContact CG-CD2 4.45Å; K587-Y661 HydrophobicContact CG-CE2 4.4Å; K587-P662 PolarHBondContact NZ-O 3.45Å; K587-D663 IonicContact NZ-OD2 3.8Å; K587-D663 PolarHBondContact NZ-OD2 3.21Å
588K85.2Confident87.5Confident83 Ų8345.6 Ų45.636%0.36122%0.218SC..  trans-68.3156.4-179.159.2-177.6169176.40112G590 T591 F659 D663K588-G590 PolarHBondContact O-N 3.35Å; K588-T591 VanDerWaalsContact CG-OG1 3.27Å; K588-T591 WeakPolarHBondContact CG-OG1 3.48Å; K588-T591 WeakPolarHBondContact O-CB 3.33Å; K588-T591 PolarHBondContact O-N 3.49Å; K588-T591 VanDerWaalsContact O-N 3.15Å; K588-T591 PolarHBondContact O-OG1 3.34Å; K588-F659 HydrophobicContact CD-CD2 3.89Å; K588-F659 HydrophobicContact CD-CE2 3.87Å; K588-F659 HydrophobicContact CD-CG 4.42Å; K588-F659 HydrophobicContact CD-CZ 4.38Å; K588-F659 HydrophobicContact CG-CD2 4.23Å; K588-D663 WeakPolarHBondContact CE-OD1 3.44Å; K588-D663 IonicContact NZ-OD1 2.61Å
589R85Confident87.4Confident115 Ų11547.2 Ų47.243%0.43422%0.221SC..THydrogen-bonded Turntrans-50.8137.3174.2-178.1180179-166.50.4110.5T591 M611 E648R589-T591 VanDerWaalsContact C-N 3.27Å; R589-T591 PolarHBondContact O-N 3.46Å; R589-M611 HydrophobicContact CB-CG 4.43Å; R589-E648 IonicContact NH2-OE1 2.72Å; R589-E648 IonicContact NH2-OE2 3.74Å
590G83.5Confident87.4Confident1 Ų146.5 Ų46.51%0.0122%0.222CC..THydrogen-bonded Turntrans77.56.8179.200000115.1K588 V609 P656 L658 F659K588-G590 PolarHBondContact O-N 3.35Å; G590-V609 PolarHBondContact N-O 3.02Å; G590-P656 WeakPolarHBondContact CA-O 3.46Å; G590-L658 PolarHBondContact O-N 3.02Å; G590-F659 PolarHBondContact O-N 3.07Å
591T89.8Confident87.3Confident0 Ų048.9 Ų48.90%024%0.237CC..EExtended strand (participates in β ladder)trans-73.7127.2167.5-50.10000109.4L584 K587 K588 R589 W608 V609 F659L584-T591 HydrophobicContact CD2-CG2 4.35Å; K587-T591 HydrophobicContact CB-CG2 4.02Å; K587-T591 HydrophobicContact CG-CG2 4.32Å; K588-T591 VanDerWaalsContact CG-OG1 3.27Å; K588-T591 WeakPolarHBondContact CG-OG1 3.48Å; K588-T591 WeakPolarHBondContact O-CB 3.33Å; K588-T591 PolarHBondContact O-N 3.49Å; K588-T591 VanDerWaalsContact O-N 3.15Å; K588-T591 PolarHBondContact O-OG1 3.34Å; R589-T591 VanDerWaalsContact C-N 3.27Å; R589-T591 PolarHBondContact O-N 3.46Å; T591-W608 VanDerWaalsContact O-CA 3.29Å; T591-W608 WeakPolarHBondContact O-CA 3.38Å; T591-V609 PolarHBondContact O-N 2.96Å; T591-F659 CarbonylContact C-O 3.25Å; T591-F659 WeakPolarHBondContact CA-O 3.48Å
592F91.9Very high87.4Confident0 Ų046 Ų460%023%0.227CC..EExtended strand (participates in β ladder)trans-127156.6-178.671.9-85.2000113.2L594 S607 W608 I641 L657 F659 L660 Y661 K666 F670F592-L594 HydrophobicContact CD2-CD2 3.96Å; F592-L594 HydrophobicContact CE2-CD2 3.92Å; F592-L594 HydrophobicContact CE2-CG 4.36Å; F592-S607 CarbonylContact C-O 3.52Å; F592-S607 WeakPolarHBondContact CA-O 3.34Å; F592-S607 WeakPolarHBondContact CB-O 3.27Å; F592-W608 HydrophobicContact CB-CB 3.76Å; F592-I641 HydrophobicContact CE2-CG2 4.25Å; F592-I641 HydrophobicContact CZ-CG2 3.97Å; F592-L657 HydrophobicContact CB-CD2 3.68Å; F592-L657 HydrophobicContact CD1-CB 3.76Å; F592-L657 HydrophobicContact CD1-CD2 4.02Å; F592-L657 HydrophobicContact CD1-CG 4.42Å; F592-L657 HydrophobicContact CD2-CD2 4.33Å; F592-L657 HydrophobicContact CE1-CB 3.84Å; F592-L657 HydrophobicContact CG-CB 4.32Å; F592-L657 HydrophobicContact CG-CD2 3.77Å; F592-L657 HydrophobicContact CZ-CB 4.44Å; F592-F659 WeakPolarHBondContact CD1-O 3.39Å; F592-F659 WeakPolarHBondContact CE1-O 3.27Å; F592-F659 PolarHBondContact N-O 2.79Å; F592-L660 HydrophobicContact CD2-CD1 4.1Å; F592-L660 HydrophobicContact CE1-CB 4.33Å; F592-L660 HydrophobicContact CE2-CD1 3.65Å; F592-L660 HydrophobicContact CZ-CB 4.07Å; F592-L660 HydrophobicContact CZ-CD1 4.07Å; F592-Y661 PolarHBondContact O-N 2.91Å; F592-K666 HydrophobicContact CE1-CB 4.29Å; F592-K666 HydrophobicContact CE1-CG 4.4Å; F592-K666 HydrophobicContact CZ-CG 4.34Å; F592-F670 HydrophobicContact CE2-CE2 4.14Å; F592-F670 AromaticContact CZ-CE2 3.82Å; F592-F670 HydrophobicContact CZ-CE2 3.82Å
593L91.8Very high87.6Confident1 Ų140.8 Ų40.81%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-130138.5-178.6-177.7155000109.9M572 V575 E580 L583 L584 R595 F606 S607M572-L593 HydrophobicContact CB-CD2 4.33Å; M572-L593 HydrophobicContact CB-CG 4.3Å; M572-L593 HydrophobicContact CE-CD1 3.75Å; M572-L593 HydrophobicContact CE-CG 4.32Å; M572-L593 HydrophobicContact SD-CD1 3.53Å; M572-L593 VanDerWaalsContact SD-CD1 3.53Å; M572-L593 HydrophobicContact SD-CG 4.16Å; V575-L593 HydrophobicContact CG2-CD2 4.32Å; E580-L593 HydrophobicContact CG-CD2 4.39Å; L583-L593 HydrophobicContact CD1-CD1 4.24Å; L584-L593 HydrophobicContact CD1-CB 4.33Å; L584-L593 HydrophobicContact CD2-CB 4.22Å; L593-R595 HydrophobicContact CD2-CB 3.9Å; L593-R595 HydrophobicContact CD2-CG 4.35Å; L593-F606 WeakPolarHBondContact O-CA 3.46Å; L593-F606 WeakPolarHBondContact O-CB 3.37Å; L593-S607 PolarHBondContact N-O 3.03Å; L593-S607 PolarHBondContact O-N 2.98Å; L593-S607 VanDerWaalsContact O-N 3.09Å
594L93.8Very high87.8Confident1 Ų138.8 Ų38.81%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-100.1123.3177-55.3-176.4000110.7I571 M572 G573 F592 F606 F637 I641 L660 F670I571-L594 HydrophobicContact CG1-CB 4.28Å; I571-L594 HydrophobicContact CG1-CD1 3.84Å; I571-L594 HydrophobicContact CG2-CB 4.45Å; M572-L594 PolarHBondContact N-O 2.75Å; G573-L594 PolarHBondContact N-O 3.36Å; F592-L594 HydrophobicContact CD2-CD2 3.96Å; F592-L594 HydrophobicContact CE2-CD2 3.92Å; F592-L594 HydrophobicContact CE2-CG 4.36Å; L594-F606 HydrophobicContact CD2-CB 3.5Å; L594-F606 HydrophobicContact CD2-CD1 4.49Å; L594-F606 HydrophobicContact CD2-CG 4.38Å; L594-F637 HydrophobicContact CD1-CE1 3.94Å; L594-F637 HydrophobicContact CD2-CE1 4.02Å; L594-F637 HydrophobicContact CD2-CZ 4.1Å; L594-I641 HydrophobicContact CD1-CD1 4.17Å; L594-I641 HydrophobicContact CD2-CD1 4.15Å; L594-L660 HydrophobicContact CD1-CD1 4.38Å; L594-L660 HydrophobicContact CG-CD1 4.11Å; L594-F670 HydrophobicContact CD1-CE1 4.22Å; L594-F670 HydrophobicContact CD1-CZ 3.73Å
595R93.9Very high88.1Confident9 Ų938.8 Ų38.83%0.03419%0.189CC..EExtended strand (participates in β ladder)trans-137.8157.7177.966.9169.4179.277.15.3112.9G573 V575 E580 L593 T605G573-R595 CarbonylContact O-C 3.55Å; G573-R595 VanDerWaalsContact O-CA 3.27Å; G573-R595 WeakPolarHBondContact O-CA 3.2Å; G573-R595 WeakPolarHBondContact O-CB 3.35Å; V575-R595 HydrophobicContact CB-CB 4.45Å; E580-R595 WeakPolarHBondContact OE1-CD 3.39Å; E580-R595 IonicContact OE1-NE 2.9Å; E580-R595 PolarHBondContact OE1-NE 3.47Å; E580-R595 VanDerWaalsContact OE1-NE 3.14Å; E580-R595 WeakPolarHBondContact OE2-CD 3.46Å; E580-R595 IonicContact OE2-CZ 2.73Å; E580-R595 IonicContact OE2-NE 3.42Å; E580-R595 PolarHBondContact OE2-NE 2.86Å; E580-R595 IonicContact OE2-NH2 3.78Å; L593-R595 HydrophobicContact CD2-CB 3.9Å; L593-R595 HydrophobicContact CD2-CG 4.35Å; R595-T605 HydrophobicContact CG-CG2 3.76Å; R595-T605 PolarHBondContact N-O 3.01Å; R595-T605 PolarHBondContact O-N 3.38Å; R595-T605 VanDerWaalsContact O-O 3.05Å
596F94.6Very high88.5Confident2 Ų233.4 Ų33.41%0.00917%0.166CC..EExtended strand (participates in β ladder)trans-79.2148.1171-57.6-54000110.9I554 M557 V558 L562 W566 I571 G573 F574 G603 I604I554-F596 HydrophobicContact CD1-CB 3.67Å; I554-F596 HydrophobicContact CD1-CD2 4.38Å; I554-F596 HydrophobicContact CD1-CG 4.12Å; I554-F596 HydrophobicContact CG1-CB 4.09Å; I554-F596 HydrophobicContact CG1-CG 4.25Å; I554-F596 HydrophobicContact CG2-CB 4.26Å; I554-F596 HydrophobicContact CG2-CD1 3.74Å; I554-F596 HydrophobicContact CG2-CD2 3.42Å; I554-F596 VanDerWaalsContact CG2-CD2 3.42Å; I554-F596 HydrophobicContact CG2-CE1 3.88Å; I554-F596 HydrophobicContact CG2-CE2 3.56Å; I554-F596 HydrophobicContact CG2-CG 3.52Å; I554-F596 HydrophobicContact CG2-CZ 3.8Å; M557-F596 HydrophobicContact CE-CD1 3.62Å; M557-F596 HydrophobicContact CE-CE1 3.75Å; V558-F596 HydrophobicContact CG2-CE1 3.65Å; V558-F596 HydrophobicContact CG2-CE2 4.27Å; V558-F596 HydrophobicContact CG2-CZ 3.32Å; L562-F596 HydrophobicContact CD1-CE1 4.32Å; W566-F596 HydrophobicContact CE3-CE2 4.3Å; W566-F596 HydrophobicContact CE3-CZ 4.09Å; W566-F596 HydrophobicContact CH2-CE2 4.46Å; W566-F596 AromaticContact CZ3-CE2 3.77Å; W566-F596 HydrophobicContact CZ3-CE2 3.77Å; W566-F596 HydrophobicContact CZ3-CZ 4.03Å; I571-F596 HydrophobicContact CG2-CE1 4.33Å; I571-F596 HydrophobicContact CG2-CE2 4.36Å; I571-F596 HydrophobicContact CG2-CZ 3.89Å; G573-F596 VanDerWaalsContact CA-CD2 3.47Å; G573-F596 PolarHBondContact O-N 3.24Å; F574-F596 HydrophobicContact CD2-CD2 4.29Å; F574-F596 HydrophobicContact CD2-CE2 4.44Å; F574-F596 HydrophobicContact CE1-CD2 4.31Å; F574-F596 HydrophobicContact CE2-CD2 4.04Å; F574-F596 HydrophobicContact CE2-CE2 4.04Å; F574-F596 HydrophobicContact CZ-CD2 4.06Å; F574-F596 HydrophobicContact CZ-CE2 4.36Å; F596-G603 CarbonylContact C-O 3.57Å; F596-G603 WeakPolarHBondContact CA-O 3.47Å; F596-I604 HydrophobicContact CD1-CB 4.32Å; F596-I604 HydrophobicContact CD1-CG1 4.45Å; F596-I604 HydrophobicContact CE1-CD1 4.28Å
597S90.3Very high88.8Confident4 Ų424.8 Ų24.83%0.02813%0.128CC..  trans-72.9131.7176.2-174.10000110.3W550 S599 V600 G603 P626W550-S597 PolarHBondContact NE1-O 3.27Å; S597-S599 VanDerWaalsContact C-N 3.33Å; S597-S599 PolarHBondContact OG-N 3.44Å; S597-V600 PolarHBondContact OG-N 3.49Å; S597-V600 VanDerWaalsContact OG-N 3.11Å; S597-G603 PolarHBondContact N-O 3.09Å; S597-P626 WeakPolarHBondContact OG-CG 3.39Å
598E85.7Confident89Confident50 Ų5022.4 Ų22.423%0.23412%0.118CC..SBendtrans-81.3-16.9173.4-69.2-163.3-11900113.3M516 K520M516-E598 HydrophobicContact CE-CG 3.84Å; K520-E598 IonicContact NZ-OE2 2.8Å; K520-E598 PolarHBondContact NZ-OE2 3.2Å
599S82.4Confident89.1Confident87 Ų8718.4 Ų18.461%0.60810%0.1SC*.SBendtrans-111.5-18-171.6-50.90000113S597S597-S599 VanDerWaalsContact C-N 3.33Å; S597-S599 PolarHBondContact OG-N 3.44Å
600V84.8Confident89Confident55 Ų5513.2 Ų13.233%0.3338%0.081SC..SBendtrans-119.8121.4-179.7-178.60000108.1S597 G602 G603 P626 T628S597-V600 PolarHBondContact OG-N 3.49Å; S597-V600 VanDerWaalsContact OG-N 3.11Å; V600-G602 PolarHBondContact O-N 3.28Å; V600-G603 PolarHBondContact O-N 3Å; V600-P626 HydrophobicContact CB-CB 4.4Å; V600-P626 HydrophobicContact CG2-CB 4.43Å; V600-P626 HydrophobicContact CG2-CG 4.15Å; V600-T628 HydrophobicContact CG1-CG2 3.78Å
601V85.4Confident88.4Confident53 Ų5318.1 Ų18.132%0.32111%0.105SC..THydrogen-bonded Turntrans-62.4126.2177.5178.60000109.6V549 G603V549-V601 HydrophobicContact CG1-CG1 4.3Å; V549-V601 HydrophobicContact CG1-CG2 4.49Å; V601-G603 VanDerWaalsContact C-N 3.35Å; V601-G603 PolarHBondContact O-N 3.09Å
602G86.7Confident87.1Confident8 Ų821.5 Ų21.58%0.08212%0.123CC..THydrogen-bonded Turntrans61.140.3179.300000113.8G553 M557 V600G553-G602 WeakPolarHBondContact O-CA 3.4Å; M557-G602 VanDerWaalsContact SD-C 3.58Å; V600-G602 PolarHBondContact O-N 3.28Å
603G89.9Confident85.4Confident0 Ų027.6 Ų27.60%017%0.165CC..  trans-109.9137.5175.100000112.9F596 S597 V600 V601 F627F596-G603 CarbonylContact C-O 3.57Å; F596-G603 WeakPolarHBondContact CA-O 3.47Å; S597-G603 PolarHBondContact N-O 3.09Å; V600-G603 PolarHBondContact O-N 3Å; V601-G603 VanDerWaalsContact C-N 3.35Å; V601-G603 PolarHBondContact O-N 3.09Å; G603-F627 CarbonylContact C-O 3.59Å; G603-F627 VanDerWaalsContact CA-O 3.25Å; G603-F627 WeakPolarHBondContact CA-O 3.24Å
604I92.7Very high83.6Confident0 Ų033.1 Ų33.10%020%0.199CC..EExtended strand (participates in β ladder)trans-110.1139.9168.4-174.4162.9000109.8M557 L562 I571 F596 P626 F627 L632 F637M557-I604 HydrophobicContact CE-CB 3.95Å; M557-I604 HydrophobicContact CE-CG2 4.49Å; M557-I604 HydrophobicContact SD-CB 4.21Å; M557-I604 HydrophobicContact SD-CG2 4.12Å; L562-I604 HydrophobicContact CD1-CB 4.29Å; L562-I604 HydrophobicContact CD1-CD1 3.56Å; L562-I604 HydrophobicContact CD1-CG2 4.26Å; I571-I604 HydrophobicContact CD1-CD1 4.12Å; I571-I604 HydrophobicContact CG1-CD1 4.34Å; F596-I604 HydrophobicContact CD1-CB 4.32Å; F596-I604 HydrophobicContact CD1-CG1 4.45Å; F596-I604 HydrophobicContact CE1-CD1 4.28Å; I604-P626 CarbonylContact O-C 3.39Å; I604-P626 WeakPolarHBondContact O-CA 3.27Å; I604-F627 HydrophobicContact CG2-CB 4.07Å; I604-F627 PolarHBondContact N-O 2.86Å; I604-F627 WeakPolarHBondContact O-CD2 3.27Å; I604-F627 PolarHBondContact O-N 3.23Å; I604-L632 HydrophobicContact CG2-CD1 4.18Å; I604-F637 HydrophobicContact CD1-CD1 4.08Å; I604-F637 HydrophobicContact CD1-CE1 3.45Å; I604-F637 VanDerWaalsContact CD1-CE1 3.45Å; I604-F637 HydrophobicContact CD1-CE2 4.43Å; I604-F637 HydrophobicContact CD1-CZ 3.66Å; I604-F637 HydrophobicContact CG1-CE1 4.08Å; I604-F637 HydrophobicContact CG1-CE2 4.32Å; I604-F637 HydrophobicContact CG1-CZ 3.74Å; I604-F637 HydrophobicContact CG2-CD2 4.03Å; I604-F637 HydrophobicContact CG2-CE2 3.7Å; I604-F637 HydrophobicContact CG2-CZ 4Å
605T92.2Very high81.5Confident0 Ų036.5 Ų36.50%023%0.234CC..EExtended strand (participates in β ladder)trans-136165.9175.9-179.10000110R595 T623 V624R595-T605 HydrophobicContact CG-CG2 3.76Å; R595-T605 PolarHBondContact N-O 3.01Å; R595-T605 PolarHBondContact O-N 3.38Å; R595-T605 VanDerWaalsContact O-O 3.05Å; T605-T623 HydrophobicContact CG2-CG2 4.49Å; T605-V624 PolarHBondContact OG1-O 2.84Å
606F91.1Very high79.4Confident0 Ų039.2 Ų39.20%026%0.255CS..EExtended strand (participates in β ladder)trans-133.5147.4171.157.4-103.1000110.9L593 L594 W608 V624 F627 F637 I640 F644 L657L593-F606 WeakPolarHBondContact O-CA 3.46Å; L593-F606 WeakPolarHBondContact O-CB 3.37Å; L594-F606 HydrophobicContact CD2-CB 3.5Å; L594-F606 HydrophobicContact CD2-CD1 4.49Å; L594-F606 HydrophobicContact CD2-CG 4.38Å; F606-W608 AromaticContact CD2-CE3 3.97Å; F606-W608 HydrophobicContact CD2-CE3 3.97Å; F606-W608 HydrophobicContact CD2-CZ3 4.06Å; F606-W608 HydrophobicContact CE2-CE3 4.12Å; F606-W608 AromaticContact CE2-CZ3 3.89Å; F606-W608 HydrophobicContact CE2-CZ3 3.89Å; F606-V624 HydrophobicContact CD2-CG2 4.46Å; F606-V624 HydrophobicContact CE2-CB 4.14Å; F606-V624 HydrophobicContact CE2-CG2 3.74Å; F606-V624 HydrophobicContact CZ-CB 4.26Å; F606-V624 HydrophobicContact CZ-CG1 4.41Å; F606-V624 HydrophobicContact CZ-CG2 4.05Å; F606-V624 PolarHBondContact O-N 3.35Å; F606-F627 AromaticContact CD1-CE2 3.99Å; F606-F627 HydrophobicContact CD1-CE2 3.99Å; F606-F627 HydrophobicContact CE1-CD2 4.4Å; F606-F627 AromaticContact CE1-CE2 3.39Å; F606-F627 HydrophobicContact CE1-CE2 3.39Å; F606-F627 AromaticContact CE1-CZ 3.89Å; F606-F627 HydrophobicContact CE1-CZ 3.89Å; F606-F627 HydrophobicContact CZ-CE2 4.11Å; F606-F627 HydrophobicContact CZ-CZ 4.32Å; F606-F637 HydrophobicContact CD1-CE2 4.36Å; F606-F637 HydrophobicContact CD1-CZ 4.12Å; F606-I640 HydrophobicContact CE1-CG2 4.47Å; F606-F644 HydrophobicContact CE2-CD1 4.01Å; F606-F644 HydrophobicContact CE2-CD2 4.43Å; F606-F644 AromaticContact CE2-CE1 3.83Å; F606-F644 HydrophobicContact CE2-CE1 3.83Å; F606-F644 HydrophobicContact CE2-CE2 4.29Å; F606-F644 HydrophobicContact CE2-CG 4.3Å; F606-F644 HydrophobicContact CE2-CZ 4.01Å; F606-F644 HydrophobicContact CZ-CD1 4.12Å; F606-F644 AromaticContact CZ-CD2 3.82Å; F606-F644 HydrophobicContact CZ-CD2 3.82Å; F606-F644 HydrophobicContact CZ-CE1 4.19Å; F606-F644 AromaticContact CZ-CE2 3.92Å; F606-F644 HydrophobicContact CZ-CE2 3.92Å; F606-F644 AromaticContact CZ-CG 3.94Å; F606-F644 HydrophobicContact CZ-CG 3.94Å; F606-F644 HydrophobicContact CZ-CZ 4.11Å; F606-L657 HydrophobicContact CD2-CD1 4.12Å; F606-L657 HydrophobicContact CD2-CD2 3.91Å; F606-L657 HydrophobicContact CE2-CD1 3.77Å; F606-L657 HydrophobicContact CE2-CD2 4Å; F606-L657 HydrophobicContact CE2-CG 4.39Å; F606-L657 HydrophobicContact CZ-CD1 4.01Å
607S89.1Confident77.5Confident0 Ų044.8 Ų44.80%029%0.294CS..EExtended strand (participates in β ladder)trans-126.9141.9177.4-44.30000109.4E580 F592 L593 K622 T623E580-S607 WeakPolarHBondContact OE1-CB 3.39Å; E580-S607 PolarHBondContact OE1-OG 3.22Å; E580-S607 PolarHBondContact OE2-OG 3.41Å; F592-S607 CarbonylContact C-O 3.52Å; F592-S607 WeakPolarHBondContact CA-O 3.34Å; F592-S607 WeakPolarHBondContact CB-O 3.27Å; L593-S607 PolarHBondContact N-O 3.03Å; L593-S607 PolarHBondContact O-N 2.98Å; L593-S607 VanDerWaalsContact O-N 3.09Å; S607-K622 WeakPolarHBondContact CA-O 3.45Å; S607-T623 PolarHBondContact OG-OG1 3.46Å
608W89.8Confident76.1Confident1 Ų151.8 Ų51.80%0.00433%0.326CS..EExtended strand (participates in β ladder)trans-133.4158.2-179.17094.9000112.6T591 F592 F606 E610 I621 K622 V624 F644 I646 P656 L657 V695T591-W608 VanDerWaalsContact O-CA 3.29Å; T591-W608 WeakPolarHBondContact O-CA 3.38Å; F592-W608 HydrophobicContact CB-CB 3.76Å; F606-W608 AromaticContact CD2-CE3 3.97Å; F606-W608 HydrophobicContact CD2-CE3 3.97Å; F606-W608 HydrophobicContact CD2-CZ3 4.06Å; F606-W608 HydrophobicContact CE2-CE3 4.12Å; F606-W608 AromaticContact CE2-CZ3 3.89Å; F606-W608 HydrophobicContact CE2-CZ3 3.89Å; W608-E610 PolarHBondContact NE1-OE2 3.34Å; W608-I621 WeakPolarHBondContact O-CA 3.48Å; W608-K622 HydrophobicContact CD2-CB 4.2Å; W608-K622 HydrophobicContact CE3-CB 4.44Å; W608-K622 HydrophobicContact CH2-CB 3.65Å; W608-K622 HydrophobicContact CH2-CD 4.46Å; W608-K622 HydrophobicContact CZ2-CB 3.33Å; W608-K622 HydrophobicContact CZ2-CD 3.63Å; W608-K622 HydrophobicContact CZ2-CG 4.13Å; W608-K622 HydrophobicContact CZ3-CB 4.19Å; W608-K622 PolarHBondContact N-O 3.13Å; W608-K622 PolarHBondContact O-N 3.43Å; W608-V624 HydrophobicContact CH2-CG2 3.7Å; W608-V624 HydrophobicContact CZ3-CB 4.47Å; W608-V624 HydrophobicContact CZ3-CG2 3.48Å; W608-V624 VanDerWaalsContact CZ3-CG2 3.48Å; W608-F644 AromaticContact CH2-CE1 3.98Å; W608-F644 HydrophobicContact CH2-CE1 3.98Å; W608-F644 HydrophobicContact CH2-CZ 4.07Å; W608-F644 HydrophobicContact CZ2-CE1 4.42Å; W608-F644 HydrophobicContact CZ3-CE1 4.17Å; W608-F644 HydrophobicContact CZ3-CZ 4.35Å; W608-I646 HydrophobicContact CH2-CD1 3.68Å; W608-I646 HydrophobicContact CZ2-CD1 3.21Å; W608-P656 HydrophobicContact CD2-CB 4.48Å; W608-P656 HydrophobicContact CD2-CG 4.42Å; W608-P656 HydrophobicContact CG-CB 4.35Å; W608-P656 HydrophobicContact CZ2-CG 4.3Å; W608-L657 HydrophobicContact CB-CD2 4.01Å; W608-L657 HydrophobicContact CD2-CD2 4.28Å; W608-L657 HydrophobicContact CE3-CD2 4.16Å; W608-L657 HydrophobicContact CG-CD2 4.24Å; W608-V695 HydrophobicContact CH2-CG1 3.67Å; W608-V695 HydrophobicContact CH2-CG2 4.25Å; W608-V695 HydrophobicContact CZ2-CG1 4.08Å
609V87.1Confident75.2Confident0 Ų051 Ų510%033%0.326CS..EExtended strand (participates in β ladder)trans-86.7130.4174.4-178.40000110.4L584 G590 T591 P619L584-V609 HydrophobicContact CB-CG2 3.67Å; L584-V609 HydrophobicContact CD2-CG2 4.14Å; L584-V609 HydrophobicContact CG-CG2 4.39Å; L584-V609 WeakPolarHBondContact O-CG2 3.19Å; G590-V609 PolarHBondContact N-O 3.02Å; T591-V609 PolarHBondContact O-N 2.96Å; V609-P619 HydrophobicContact CG1-CB 3.7Å
610E81.9Confident75Confident5 Ų549.4 Ų49.42%0.02331%0.307CS..EExtended strand (participates in β ladder)trans-133.1150.3172.5-164.8-179.2148.400109.1W608 Y620 K622 E648W608-E610 PolarHBondContact NE1-OE2 3.34Å; E610-Y620 HydrophobicContact CB-CD2 4.02Å; E610-Y620 HydrophobicContact CB-CE1 4.3Å; E610-Y620 HydrophobicContact CB-CE2 3.37Å; E610-Y620 HydrophobicContact CG-CE1 4.4Å; E610-Y620 HydrophobicContact CG-CE2 3.7Å; E610-Y620 WeakPolarHBondContact CG-OH 3.45Å; E610-Y620 PolarHBondContact N-O 3.03Å; E610-Y620 WeakPolarHBondContact O-CD1 3.42Å; E610-Y620 PolarHBondContact O-N 2.88Å; E610-Y620 VanDerWaalsContact O-N 3.07Å; E610-Y620 PolarHBondContact OE1-OH 3.01Å; E610-K622 IonicContact OE1-NZ 2.63Å; E610-K622 PolarHBondContact OE1-NZ 2.75Å; E610-K622 WeakPolarHBondContact OE2-CD 3.49Å; E610-K622 WeakPolarHBondContact OE2-CE 3.37Å; E610-K622 IonicContact OE2-NZ 2.7Å; E610-K622 PolarHBondContact OE2-NZ 2.63Å; E610-E648 VanDerWaalsContact OE1-OE1 3.14Å
611M71.1Confident74.9Confident104 Ų10447.9 Ų47.951%0.51230%0.296SS..  trans-116.3136.4-176.2-68.8-120.8-13200108.4R589 Y620R589-M611 HydrophobicContact CB-CG 4.43Å; M611-Y620 VanDerWaalsContact C-CE1 3.47Å
612D62.2Low74.9Confident71 Ų7146 Ų4638%0.3828%0.284SS..  trans-75.7138.2179.8-86.4-35.8000109.1T614 Y620D612-T614 PolarHBondContact O-N 3.45Å; D612-T614 VanDerWaalsContact O-N 3.14Å; D612-Y620 HydrophobicContact CB-CD1 4.45Å; D612-Y620 HydrophobicContact CB-CE1 3.99Å; D612-Y620 VanDerWaalsContact N-CE1 3.33Å; D612-Y620 WeakPolarHBondContact OD1-CE1 3.3Å
613S57.8Low74.8Confident128 Ų12846.2 Ų46.290%0.89528%0.284SS*.THydrogen-bonded Turntrans-66.8-6.3173.848.70000113.4
614T52.5Low74.6Confident117 Ų11746.3 Ų46.372%0.71828%0.284SS*.THydrogen-bonded Turntrans-103.214.4-171.944.40000115.6D612 S616D612-T614 PolarHBondContact O-N 3.45Å; D612-T614 VanDerWaalsContact O-N 3.14Å; T614-S616 PolarHBondContact O-N 3.42Å
615G49.8Very low74.3Confident72 Ų7251.5 Ų51.574%0.74231%0.309SS*.  trans81.410.9163.900000116.8S617G615-S617 PolarHBondContact O-N 2.96Å
616S49.8Very low74.2Confident67 Ų6752.9 Ų52.947%0.46932%0.318SS..  trans-74.9118.716341.50000110.1T614 E618T614-S616 PolarHBondContact O-N 3.42Å; S616-E618 PolarHBondContact O-N 2.93Å
617S55.4Low74.1Confident119 Ų11953 Ų5383%0.83232%0.318SS*.SBendtrans-66.86.6-174.9-174.30000115.5G615G615-S617 PolarHBondContact O-N 2.96Å
618E60.4Low74.1Confident150 Ų15054.6 Ų54.670%0.70133%0.328SS*.SBendtrans-103.9121.9-178.8-67.9-158.5169.400111.6S616 Y620S616-E618 PolarHBondContact O-N 2.93Å; E618-Y620 PolarHBondContact O-N 2.64Å
619P68.3Low74Confident34 Ų3461 Ų6122%0.22136%0.356CS..PPolyproline II helixtrans-67.3131.2174.824.1-29000110.6K585 V609K585-P619 VanDerWaalsContact O-CG 3.25Å; K585-P619 WeakPolarHBondContact O-CG 3.43Å; V609-P619 HydrophobicContact CG1-CB 3.7Å
620Y78.1Confident74Confident54 Ų5465.3 Ų65.321%0.21238%0.382CS..EExtended strand (participates in β ladder)trans-97.7149.5173.664.4-93.5000110.9E610 M611 D612 E618 K622E610-Y620 HydrophobicContact CB-CD2 4.02Å; E610-Y620 HydrophobicContact CB-CE1 4.3Å; E610-Y620 HydrophobicContact CB-CE2 3.37Å; E610-Y620 HydrophobicContact CG-CE1 4.4Å; E610-Y620 HydrophobicContact CG-CE2 3.7Å; E610-Y620 WeakPolarHBondContact CG-OH 3.45Å; E610-Y620 PolarHBondContact N-O 3.03Å; E610-Y620 WeakPolarHBondContact O-CD1 3.42Å; E610-Y620 PolarHBondContact O-N 2.88Å; E610-Y620 VanDerWaalsContact O-N 3.07Å; E610-Y620 PolarHBondContact OE1-OH 3.01Å; M611-Y620 VanDerWaalsContact C-CE1 3.47Å; D612-Y620 HydrophobicContact CB-CD1 4.45Å; D612-Y620 HydrophobicContact CB-CE1 3.99Å; D612-Y620 VanDerWaalsContact N-CE1 3.33Å; D612-Y620 WeakPolarHBondContact OD1-CE1 3.3Å; E618-Y620 PolarHBondContact O-N 2.64Å; Y620-K622 HydrophobicContact CD2-CG 4.1Å; Y620-K622 HydrophobicContact CE2-CD 4.13Å; Y620-K622 HydrophobicContact CE2-CG 4.08Å
621I82.8Confident74.2Confident22 Ų2266.5 Ų66.511%0.11339%0.389CS..EExtended strand (participates in β ladder)trans-115.2121.5-176.2-61.9168.2000107.9K581 L584 K585 W608K581-I621 HydrophobicContact CB-CD1 3.98Å; K581-I621 HydrophobicContact CG-CD1 3.9Å; L584-I621 HydrophobicContact CB-CD1 3.68Å; L584-I621 HydrophobicContact CB-CG1 4.21Å; L584-I621 HydrophobicContact CD1-CD1 4.47Å; L584-I621 HydrophobicContact CD1-CG2 4.03Å; K585-I621 HydrophobicContact CG-CD1 4.3Å; W608-I621 WeakPolarHBondContact O-CA 3.48Å
622K83.5Confident75Confident14 Ų1461.9 Ų61.96%0.06137%0.366CS..EExtended strand (participates in β ladder)trans-100.1143.8172.1-73.5-177.6-176.4151.10109.5S607 W608 E610 Y620 V695S607-K622 WeakPolarHBondContact CA-O 3.45Å; W608-K622 HydrophobicContact CD2-CB 4.2Å; W608-K622 HydrophobicContact CE3-CB 4.44Å; W608-K622 HydrophobicContact CH2-CB 3.65Å; W608-K622 HydrophobicContact CH2-CD 4.46Å; W608-K622 HydrophobicContact CZ2-CB 3.33Å; W608-K622 HydrophobicContact CZ2-CD 3.63Å; W608-K622 HydrophobicContact CZ2-CG 4.13Å; W608-K622 HydrophobicContact CZ3-CB 4.19Å; W608-K622 PolarHBondContact N-O 3.13Å; W608-K622 PolarHBondContact O-N 3.43Å; E610-K622 IonicContact OE1-NZ 2.63Å; E610-K622 PolarHBondContact OE1-NZ 2.75Å; E610-K622 WeakPolarHBondContact OE2-CD 3.49Å; E610-K622 WeakPolarHBondContact OE2-CE 3.37Å; E610-K622 IonicContact OE2-NZ 2.7Å; E610-K622 PolarHBondContact OE2-NZ 2.63Å; Y620-K622 HydrophobicContact CD2-CG 4.1Å; Y620-K622 HydrophobicContact CE2-CD 4.13Å; Y620-K622 HydrophobicContact CE2-CG 4.08Å; K622-V695 HydrophobicContact CB-CG1 3.93Å; K622-V695 HydrophobicContact CD-CG1 3.82Å; K622-V695 HydrophobicContact CG-CG1 4.17Å
623T84.8Confident76Confident13 Ų1362.3 Ų62.38%0.0837%0.374CS..EExtended strand (participates in β ladder)trans-124.5138.5177.6-52.90000108.5T605 S607 S696T605-T623 HydrophobicContact CG2-CG2 4.49Å; S607-T623 PolarHBondContact OG-OG1 3.46Å; T623-S696 PolarHBondContact O-N 2.97Å
624V87Confident77.3Confident1 Ų161.1 Ų61.11%0.00635%0.354CS..EExtended strand (participates in β ladder)trans-90.8148174.2166.80000110.5T605 F606 W608 F627 F644 M693 V695T605-V624 PolarHBondContact OG1-O 2.84Å; F606-V624 HydrophobicContact CD2-CG2 4.46Å; F606-V624 HydrophobicContact CE2-CB 4.14Å; F606-V624 HydrophobicContact CE2-CG2 3.74Å; F606-V624 HydrophobicContact CZ-CB 4.26Å; F606-V624 HydrophobicContact CZ-CG1 4.41Å; F606-V624 HydrophobicContact CZ-CG2 4.05Å; F606-V624 PolarHBondContact O-N 3.35Å; W608-V624 HydrophobicContact CH2-CG2 3.7Å; W608-V624 HydrophobicContact CZ3-CB 4.47Å; W608-V624 HydrophobicContact CZ3-CG2 3.48Å; W608-V624 VanDerWaalsContact CZ3-CG2 3.48Å; V624-F627 HydrophobicContact CG1-CE2 3.7Å; V624-F627 HydrophobicContact CG1-CZ 3.8Å; V624-F644 HydrophobicContact CG2-CE1 4.31Å; V624-F644 HydrophobicContact CG2-CE2 3.85Å; V624-F644 HydrophobicContact CG2-CZ 3.43Å; V624-F644 VanDerWaalsContact CG2-CZ 3.43Å; V624-M693 HydrophobicContact CG1-CE 3.47Å; V624-M693 VanDerWaalsContact CG1-CE 3.47Å; V624-V695 HydrophobicContact CG2-CG2 3.95Å
625Q85.8Confident78.7Confident110 Ų11055.7 Ų55.751%0.51432%0.32SS..PPolyproline II helixtrans-52.9135.9172.7-173175.7-7.100111.1F627 F694Q625-F627 PolarHBondContact O-N 3.34Å; Q625-F694 PolarHBondContact N-O 2.82Å; Q625-F694 VanDerWaalsContact N-O 3.13Å
626P89.3Confident80.5Confident29 Ų2954.1 Ų54.119%0.18830%0.297CS..PPolyproline II helixtrans-57.3132.7-177.1-25.433.8000113.4S597 V600 I604S597-P626 WeakPolarHBondContact OG-CG 3.39Å; V600-P626 HydrophobicContact CB-CB 4.4Å; V600-P626 HydrophobicContact CG2-CB 4.43Å; V600-P626 HydrophobicContact CG2-CG 4.15Å; I604-P626 CarbonylContact O-C 3.39Å; I604-P626 WeakPolarHBondContact O-CA 3.27Å
627F89Confident82.4Confident2 Ų251 Ų511%0.00928%0.275CS..BIsolated β-bridgetrans-80.2130.8170-59-88.9000109.6G603 I604 F606 V624 Q625 D631 L632 F637 I640 M693G603-F627 CarbonylContact C-O 3.59Å; G603-F627 VanDerWaalsContact CA-O 3.25Å; G603-F627 WeakPolarHBondContact CA-O 3.24Å; I604-F627 HydrophobicContact CG2-CB 4.07Å; I604-F627 PolarHBondContact N-O 2.86Å; I604-F627 WeakPolarHBondContact O-CD2 3.27Å; I604-F627 PolarHBondContact O-N 3.23Å; F606-F627 AromaticContact CD1-CE2 3.99Å; F606-F627 HydrophobicContact CD1-CE2 3.99Å; F606-F627 HydrophobicContact CE1-CD2 4.4Å; F606-F627 AromaticContact CE1-CE2 3.39Å; F606-F627 HydrophobicContact CE1-CE2 3.39Å; F606-F627 AromaticContact CE1-CZ 3.89Å; F606-F627 HydrophobicContact CE1-CZ 3.89Å; F606-F627 HydrophobicContact CZ-CE2 4.11Å; F606-F627 HydrophobicContact CZ-CZ 4.32Å; V624-F627 HydrophobicContact CG1-CE2 3.7Å; V624-F627 HydrophobicContact CG1-CZ 3.8Å; Q625-F627 PolarHBondContact O-N 3.34Å; F627-D631 WeakPolarHBondContact CA-OD2 3.05Å; F627-D631 HydrophobicContact CB-CB 4.19Å; F627-D631 HydrophobicContact CD1-CB 4.14Å; F627-L632 HydrophobicContact CB-CD2 4.39Å; F627-F637 AromaticContact CD2-CE2 3.93Å; F627-F637 HydrophobicContact CD2-CE2 3.93Å; F627-F637 HydrophobicContact CE2-CE2 4.39Å; F627-F637 HydrophobicContact CG-CE2 4.44Å; F627-I640 HydrophobicContact CD1-CD1 3.86Å; F627-I640 HydrophobicContact CD1-CG2 4.45Å; F627-I640 HydrophobicContact CE1-CD1 3.96Å; F627-I640 HydrophobicContact CE1-CG2 3.64Å; F627-I640 HydrophobicContact CE2-CG2 4.25Å; F627-I640 HydrophobicContact CZ-CG2 3.51Å; F627-M693 HydrophobicContact CD1-CE 3.97Å; F627-M693 HydrophobicContact CE1-CE 3.13Å; F627-M693 HydrophobicContact CE1-SD 3.69Å; F627-M693 HydrophobicContact CE2-CE 4.09Å; F627-M693 HydrophobicContact CZ-CE 3.22Å; F627-M693 HydrophobicContact CZ-SD 4.18Å
628T90.3Very high83.9Confident34 Ų3446.9 Ų46.921%0.20924%0.243CC..  trans-111-179.2-178.366.90000110.9V600 T630 D631 L632V600-T628 HydrophobicContact CG1-CG2 3.78Å; T628-T630 PolarHBondContact O-N 3.46Å; T628-T630 PolarHBondContact OG1-OG1 3.04Å; T628-D631 PolarHBondContact N-OD2 3.36Å; T628-D631 WeakPolarHBondContact O-CB 3.32Å; T628-D631 PolarHBondContact O-N 3.11Å; T628-D631 PolarHBondContact OG1-OD2 3.19Å; T628-D631 VanDerWaalsContact OG1-OD2 3.1Å; T628-L632 WeakPolarHBondContact O-CG 3.21Å; T628-L632 PolarHBondContact O-N 3.45Å
629K88.3Confident85Confident134 Ų13439.8 Ų39.858%0.58321%0.21SC*.Hα-helixtrans-49.7-40.6175179.6173.8-179.6-1770113.4Y561 D631 L632 C633Y561-K629 HydrophobicContact CE2-CB 4.38Å; Y561-K629 HydrophobicContact CE2-CD 4.37Å; Y561-K629 HydrophobicContact CE2-CG 3.78Å; Y561-K629 WeakPolarHBondContact OH-CE 3.13Å; Y561-K629 WeakPolarHBondContact OH-CG 3.48Å; K629-D631 PolarHBondContact O-N 3.21Å; K629-L632 PolarHBondContact O-N 3.46Å; K629-C633 WeakPolarHBondContact O-CB 3.48Å; K629-C633 PolarHBondContact O-N 3.16Å; K629-C633 PolarHBondContact O-SG 3.3Å
630T86.7Confident85.9Confident91 Ų9138.9 Ų38.956%0.55820%0.203SC*.Hα-helixtrans-63-32.6-179.2520000111.9T628 Q634T628-T630 PolarHBondContact O-N 3.46Å; T628-T630 PolarHBondContact OG1-OG1 3.04Å; T630-Q634 WeakPolarHBondContact O-CG 3.32Å
631D85.8Confident86.3Confident30 Ų3036.3 Ų36.316%0.1619%0.193CC..Hα-helixtrans-78.1-47.2180-55.2-53.9000111.5F627 T628 K629 C633 Q634 I635 K691F627-D631 WeakPolarHBondContact CA-OD2 3.05Å; F627-D631 HydrophobicContact CB-CB 4.19Å; F627-D631 HydrophobicContact CD1-CB 4.14Å; T628-D631 PolarHBondContact N-OD2 3.36Å; T628-D631 WeakPolarHBondContact O-CB 3.32Å; T628-D631 PolarHBondContact O-N 3.11Å; T628-D631 PolarHBondContact OG1-OD2 3.19Å; T628-D631 VanDerWaalsContact OG1-OD2 3.1Å; K629-D631 PolarHBondContact O-N 3.21Å; D631-C633 VanDerWaalsContact C-N 3.31Å; D631-C633 PolarHBondContact O-N 3.46Å; D631-Q634 PolarHBondContact O-N 3.23Å; D631-Q634 VanDerWaalsContact O-N 3.12Å; D631-I635 PolarHBondContact O-N 2.92Å; D631-I635 VanDerWaalsContact O-N 3.16Å; D631-K691 WeakPolarHBondContact OD1-CE 3.5Å; D631-K691 IonicContact OD1-NZ 3.69Å; D631-K691 PolarHBondContact OD1-NZ 3.07Å
632L86.7Confident86.4Confident8 Ų837.7 Ų37.74%0.04220%0.196CC..Hα-helixtrans-71.6-24.2-177-61.4-179.2000113.1M557 Y561 L562 I604 F627 T628 K629 Q634 F637 I640M557-L632 HydrophobicContact CG-CD1 3.79Å; M557-L632 HydrophobicContact SD-CD1 3.78Å; Y561-L632 HydrophobicContact CD1-CB 3.88Å; Y561-L632 HydrophobicContact CD2-CB 4.27Å; Y561-L632 HydrophobicContact CD2-CD1 4.35Å; Y561-L632 HydrophobicContact CE1-CB 4.47Å; Y561-L632 HydrophobicContact CG-CB 3.78Å; Y561-L632 HydrophobicContact CG-CD1 4.22Å; L562-L632 HydrophobicContact CD2-CD1 4.43Å; L562-L632 HydrophobicContact CG-CD1 4.5Å; I604-L632 HydrophobicContact CG2-CD1 4.18Å; F627-L632 HydrophobicContact CB-CD2 4.39Å; T628-L632 WeakPolarHBondContact O-CG 3.21Å; T628-L632 PolarHBondContact O-N 3.45Å; K629-L632 PolarHBondContact O-N 3.46Å; L632-Q634 VanDerWaalsContact C-N 3.27Å; L632-Q634 PolarHBondContact O-N 2.91Å; L632-F637 HydrophobicContact CD2-CB 3.8Å; L632-F637 HydrophobicContact CD2-CD2 3.75Å; L632-F637 HydrophobicContact CD2-CG 4.15Å; L632-I640 HydrophobicContact CD2-CD1 4.25Å
633C85.2Confident86.2Confident79 Ų7938.5 Ų38.553%0.53420%0.201SC..THydrogen-bonded Turntrans-64.3-31.6169-80.50000112.9Y561 K629 D631Y561-C633 PolarHBondContact OH-SG 3.03Å; K629-C633 WeakPolarHBondContact O-CB 3.48Å; K629-C633 PolarHBondContact O-N 3.16Å; K629-C633 PolarHBondContact O-SG 3.3Å; D631-C633 VanDerWaalsContact C-N 3.31Å; D631-C633 PolarHBondContact O-N 3.46Å
634Q84Confident86Confident104 Ų10438.5 Ų38.549%0.48620%0.2SC..THydrogen-bonded Turntrans-88.1-43.5-174.9-65.4177.18.100111.4T630 D631 L632T630-Q634 WeakPolarHBondContact O-CG 3.32Å; D631-Q634 PolarHBondContact O-N 3.23Å; D631-Q634 VanDerWaalsContact O-N 3.12Å; L632-Q634 VanDerWaalsContact C-N 3.27Å; L632-Q634 PolarHBondContact O-N 2.91Å
635I82.6Confident85.5Confident2 Ų244.1 Ų44.11%0.0123%0.226CC..SBendtrans-135.2124.6-175.6-56.4156.6000108.5D631 E639 I640 Y684 I688D631-I635 PolarHBondContact O-N 2.92Å; D631-I635 VanDerWaalsContact O-N 3.16Å; I635-E639 HydrophobicContact CG2-CB 3.95Å; I635-I640 HydrophobicContact CB-CD1 4.32Å; I635-I640 HydrophobicContact CB-CG1 4.02Å; I635-I640 HydrophobicContact CG2-CD1 4.42Å; I635-I640 HydrophobicContact CG2-CG1 3.61Å; I635-Y684 HydrophobicContact CG1-CD1 4.41Å; I635-Y684 HydrophobicContact CG2-CG 4.44Å; I635-I688 HydrophobicContact CD1-CD1 4.42Å; I635-I688 HydrophobicContact CD1-CG1 3.5Å; I635-I688 VanDerWaalsContact CD1-CG1 3.5Å; I635-I688 HydrophobicContact CG1-CG1 4.33Å; I635-I688 HydrophobicContact CG2-CD1 4.08Å; I635-I688 HydrophobicContact CG2-CG1 4.32Å
636P86.7Confident84.9Confident39 Ų3940.1 Ų40.125%0.25321%0.208SC..  trans-57141.7173.8-24.534000112.2H638 E639 I640P636-H638 VanDerWaalsContact C-N 3.3Å; P636-H638 VanDerWaalsContact CB-NE2 3.33Å; P636-H638 WeakPolarHBondContact CB-NE2 3.14Å; P636-H638 PolarHBondContact O-N 2.91Å; P636-E639 WeakPolarHBondContact O-CB 3.1Å; P636-E639 PolarHBondContact O-N 3.29Å; P636-I640 PolarHBondContact O-N 3.45Å
637F89.1Confident83.8Confident2 Ų244.9 Ų44.91%0.00923%0.232CC..Hα-helixtrans-60.6-36.2-171.5-168.8-121.5000114L562 I565 L594 I604 F606 F627 L632 E639 I640 I641L562-F637 HydrophobicContact CD2-CB 3.47Å; L562-F637 VanDerWaalsContact CD2-CB 3.47Å; L562-F637 HydrophobicContact CD2-CD1 3.74Å; L562-F637 HydrophobicContact CD2-CG 3.74Å; I565-F637 HydrophobicContact CD1-CB 4.47Å; I565-F637 HydrophobicContact CD1-CD1 4.31Å; L594-F637 HydrophobicContact CD1-CE1 3.94Å; L594-F637 HydrophobicContact CD2-CE1 4.02Å; L594-F637 HydrophobicContact CD2-CZ 4.1Å; I604-F637 HydrophobicContact CD1-CD1 4.08Å; I604-F637 HydrophobicContact CD1-CE1 3.45Å; I604-F637 VanDerWaalsContact CD1-CE1 3.45Å; I604-F637 HydrophobicContact CD1-CE2 4.43Å; I604-F637 HydrophobicContact CD1-CZ 3.66Å; I604-F637 HydrophobicContact CG1-CE1 4.08Å; I604-F637 HydrophobicContact CG1-CE2 4.32Å; I604-F637 HydrophobicContact CG1-CZ 3.74Å; I604-F637 HydrophobicContact CG2-CD2 4.03Å; I604-F637 HydrophobicContact CG2-CE2 3.7Å; I604-F637 HydrophobicContact CG2-CZ 4Å; F606-F637 HydrophobicContact CD1-CE2 4.36Å; F606-F637 HydrophobicContact CD1-CZ 4.12Å; F627-F637 AromaticContact CD2-CE2 3.93Å; F627-F637 HydrophobicContact CD2-CE2 3.93Å; F627-F637 HydrophobicContact CE2-CE2 4.39Å; F627-F637 HydrophobicContact CG-CE2 4.44Å; L632-F637 HydrophobicContact CD2-CB 3.8Å; L632-F637 HydrophobicContact CD2-CD2 3.75Å; L632-F637 HydrophobicContact CD2-CG 4.15Å; F637-E639 VanDerWaalsContact C-N 3.31Å; F637-E639 PolarHBondContact O-N 3.2Å; F637-I640 HydrophobicContact CD2-CD1 4.39Å; F637-I640 WeakPolarHBondContact O-CB 3.21Å; F637-I640 PolarHBondContact O-N 2.84Å; F637-I641 HydrophobicContact CD1-CD1 3.81Å; F637-I641 HydrophobicContact CE1-CD1 3.58Å; F637-I641 HydrophobicContact CE1-CG1 4.29Å; F637-I641 HydrophobicContact CZ-CD1 4.14Å; F637-I641 HydrophobicContact CZ-CG1 4.4Å; F637-I641 WeakPolarHBondContact O-CG1 3.4Å; F637-I641 PolarHBondContact O-N 3.27Å
638H87.3Confident82.3Confident33 Ų3348 Ų4815%0.15325%0.246CC..Hα-helixtrans-65.4-31.9176.752.679000112.7I565 P636 I641 R642 F670 W673 Y674I565-H638 HydrophobicContact CD1-CB 4.35Å; P636-H638 VanDerWaalsContact C-N 3.3Å; P636-H638 VanDerWaalsContact CB-NE2 3.33Å; P636-H638 WeakPolarHBondContact CB-NE2 3.14Å; P636-H638 PolarHBondContact O-N 2.91Å; H638-I641 PolarHBondContact O-N 2.72Å; H638-R642 WeakPolarHBondContact O-CB 3.19Å; H638-R642 PolarHBondContact O-N 2.89Å; H638-F670 HydrophobicContact CB-CB 4.5Å; H638-F670 HydrophobicContact CB-CD1 4.3Å; H638-W673 HydrophobicContact CB-CB 4.42Å; H638-W673 PolarHBondContact CE1-O 2.74Å; H638-W673 PolarHBondContact ND1-O 3.43Å; H638-Y674 HydrophobicContact CB-CE1 4.46Å
639E84.1Confident80.3Confident0 Ų051.7 Ų51.70%028%0.28CS..Hα-helixtrans-73.7-31.6173.7-72.9-63.7150.900111.9I635 P636 F637 R642 N643 T675 N682 Y684I635-E639 HydrophobicContact CG2-CB 3.95Å; P636-E639 WeakPolarHBondContact O-CB 3.1Å; P636-E639 PolarHBondContact O-N 3.29Å; F637-E639 VanDerWaalsContact C-N 3.31Å; F637-E639 PolarHBondContact O-N 3.2Å; E639-R642 IonicContact OE1-NH1 2.77Å; E639-R642 IonicContact OE2-NH1 2.76Å; E639-N643 WeakPolarHBondContact O-CB 3.36Å; E639-N643 PolarHBondContact O-N 3.3Å; E639-N643 VanDerWaalsContact O-N 3.11Å; E639-N643 PolarHBondContact O-ND2 2.8Å; E639-N643 PolarHBondContact OE2-ND2 3.01Å; E639-T675 WeakPolarHBondContact OE1-CB 3.37Å; E639-T675 PolarHBondContact OE1-N 2.98Å; E639-T675 PolarHBondContact OE1-OG1 3.02Å; E639-N682 PolarHBondContact OE2-ND2 2.96Å; E639-Y684 HydrophobicContact CG-CD2 4.21Å
640I85.9Confident78.4Confident15 Ų1553.3 Ų53.38%0.07729%0.29CS..Hα-helixtrans-61.9-48.7170.4-60.5177.8000109.4F606 F627 L632 I635 P636 F637 R642 F644F606-I640 HydrophobicContact CE1-CG2 4.47Å; F627-I640 HydrophobicContact CD1-CD1 3.86Å; F627-I640 HydrophobicContact CD1-CG2 4.45Å; F627-I640 HydrophobicContact CE1-CD1 3.96Å; F627-I640 HydrophobicContact CE1-CG2 3.64Å; F627-I640 HydrophobicContact CE2-CG2 4.25Å; F627-I640 HydrophobicContact CZ-CG2 3.51Å; L632-I640 HydrophobicContact CD2-CD1 4.25Å; I635-I640 HydrophobicContact CB-CD1 4.32Å; I635-I640 HydrophobicContact CB-CG1 4.02Å; I635-I640 HydrophobicContact CG2-CD1 4.42Å; I635-I640 HydrophobicContact CG2-CG1 3.61Å; P636-I640 PolarHBondContact O-N 3.45Å; F637-I640 HydrophobicContact CD2-CD1 4.39Å; F637-I640 WeakPolarHBondContact O-CB 3.21Å; F637-I640 PolarHBondContact O-N 2.84Å; I640-R642 PolarHBondContact O-N 3.47Å; I640-F644 WeakPolarHBondContact O-CB 3.42Å; I640-F644 PolarHBondContact O-N 2.92Å
641I87.3Confident77Confident0 Ų055.5 Ų55.50%030%0.298CS..Hα-helixtrans-61.8-45178.5-67.6167.6000111.4F592 L594 F637 H638 N643 N655 L657 K666 F670F592-I641 HydrophobicContact CE2-CG2 4.25Å; F592-I641 HydrophobicContact CZ-CG2 3.97Å; L594-I641 HydrophobicContact CD1-CD1 4.17Å; L594-I641 HydrophobicContact CD2-CD1 4.15Å; F637-I641 HydrophobicContact CD1-CD1 3.81Å; F637-I641 HydrophobicContact CE1-CD1 3.58Å; F637-I641 HydrophobicContact CE1-CG1 4.29Å; F637-I641 HydrophobicContact CZ-CD1 4.14Å; F637-I641 HydrophobicContact CZ-CG1 4.4Å; F637-I641 WeakPolarHBondContact O-CG1 3.4Å; F637-I641 PolarHBondContact O-N 3.27Å; H638-I641 PolarHBondContact O-N 2.72Å; I641-N643 PolarHBondContact O-N 2.96Å; I641-N655 PolarHBondContact O-ND2 3.14Å; I641-L657 HydrophobicContact CG2-CD1 4.11Å; I641-K666 HydrophobicContact CG2-CD 3.94Å; I641-K666 HydrophobicContact CG2-CG 4.02Å; I641-F670 HydrophobicContact CD1-CD1 4.34Å; I641-F670 HydrophobicContact CD1-CE1 3.85Å; I641-F670 HydrophobicContact CD1-CE2 4.21Å; I641-F670 HydrophobicContact CD1-CZ 3.81Å; I641-F670 HydrophobicContact CG2-CD2 4.21Å; I641-F670 HydrophobicContact CG2-CE2 4.32Å
642R84.3Confident75.6Confident51 Ų5158.5 Ų58.519%0.19231%0.313CS..Hα-helixtrans-58.6-47.2-178.7-173.8-174.5-172.5-1808.3112.1H638 E639 I640 N655 Y674 T675H638-R642 WeakPolarHBondContact O-CB 3.19Å; H638-R642 PolarHBondContact O-N 2.89Å; E639-R642 IonicContact OE1-NH1 2.77Å; E639-R642 IonicContact OE2-NH1 2.76Å; I640-R642 PolarHBondContact O-N 3.47Å; R642-N655 PolarHBondContact O-ND2 2.79Å; R642-Y674 HydrophobicContact CB-CD1 4.26Å; R642-Y674 HydrophobicContact CB-CE1 3.7Å; R642-Y674 HydrophobicContact CB-CE2 4.42Å; R642-Y674 HydrophobicContact CG-CD1 4.35Å; R642-Y674 HydrophobicContact CG-CD2 4.23Å; R642-Y674 HydrophobicContact CG-CE1 4.04Å; R642-Y674 HydrophobicContact CG-CE2 3.92Å; R642-Y674 HydrophobicContact CG-CG 4.45Å; R642-T675 PolarHBondContact NH1-O 2.85Å
643N79.6Confident74.6Confident31 Ų3161.2 Ų61.217%0.16633%0.331CS..Hα-helixtrans-106.112.3-168.5-52.9-60.5000113.4E639 I641 Q645 M685 I688E639-N643 WeakPolarHBondContact O-CB 3.36Å; E639-N643 PolarHBondContact O-N 3.3Å; E639-N643 VanDerWaalsContact O-N 3.11Å; E639-N643 PolarHBondContact O-ND2 2.8Å; E639-N643 PolarHBondContact OE2-ND2 3.01Å; I641-N643 PolarHBondContact O-N 2.96Å; N643-Q645 PolarHBondContact O-N 3.2Å; N643-M685 HydrophobicContact CB-CE 3.3Å; N643-I688 HydrophobicContact CB-CD1 3.96Å
644F81.9Confident74Confident13 Ų1362.2 Ų62.26%0.05733%0.328CS..  trans-61.4127.8174.5-172.6-114.2000109.8F606 W608 V624 I640 I646 N655 P656 L657 M693 V695F606-F644 HydrophobicContact CE2-CD1 4.01Å; F606-F644 HydrophobicContact CE2-CD2 4.43Å; F606-F644 AromaticContact CE2-CE1 3.83Å; F606-F644 HydrophobicContact CE2-CE1 3.83Å; F606-F644 HydrophobicContact CE2-CE2 4.29Å; F606-F644 HydrophobicContact CE2-CG 4.3Å; F606-F644 HydrophobicContact CE2-CZ 4.01Å; F606-F644 HydrophobicContact CZ-CD1 4.12Å; F606-F644 AromaticContact CZ-CD2 3.82Å; F606-F644 HydrophobicContact CZ-CD2 3.82Å; F606-F644 HydrophobicContact CZ-CE1 4.19Å; F606-F644 AromaticContact CZ-CE2 3.92Å; F606-F644 HydrophobicContact CZ-CE2 3.92Å; F606-F644 AromaticContact CZ-CG 3.94Å; F606-F644 HydrophobicContact CZ-CG 3.94Å; F606-F644 HydrophobicContact CZ-CZ 4.11Å; W608-F644 AromaticContact CH2-CE1 3.98Å; W608-F644 HydrophobicContact CH2-CE1 3.98Å; W608-F644 HydrophobicContact CH2-CZ 4.07Å; W608-F644 HydrophobicContact CZ2-CE1 4.42Å; W608-F644 HydrophobicContact CZ3-CE1 4.17Å; W608-F644 HydrophobicContact CZ3-CZ 4.35Å; V624-F644 HydrophobicContact CG2-CE1 4.31Å; V624-F644 HydrophobicContact CG2-CE2 3.85Å; V624-F644 HydrophobicContact CG2-CZ 3.43Å; V624-F644 VanDerWaalsContact CG2-CZ 3.43Å; I640-F644 WeakPolarHBondContact O-CB 3.42Å; I640-F644 PolarHBondContact O-N 2.92Å; F644-I646 HydrophobicContact CD1-CG1 4.47Å; F644-I646 HydrophobicContact CE1-CD1 3.67Å; F644-I646 HydrophobicContact CE1-CG1 3.68Å; F644-I646 HydrophobicContact CZ-CD1 3.9Å; F644-I646 HydrophobicContact CZ-CG1 3.85Å; F644-N655 VanDerWaalsContact O-CA 3.32Å; F644-N655 WeakPolarHBondContact O-CA 3.35Å; F644-N655 WeakPolarHBondContact O-CB 3.49Å; F644-N655 PolarHBondContact O-ND2 2.92Å; F644-N655 PolarHBondContact O-OD1 3.3Å; F644-P656 HydrophobicContact CD1-CG 3.69Å; F644-P656 HydrophobicContact CE1-CG 3.59Å; F644-L657 HydrophobicContact CB-CD1 4Å; F644-L657 HydrophobicContact CD1-CD1 3.92Å; F644-L657 HydrophobicContact CD1-CG 3.98Å; F644-L657 HydrophobicContact CG-CD1 4.22Å; F644-M693 HydrophobicContact CE2-CB 4.5Å; F644-V695 HydrophobicContact CZ-CG2 4.46Å
645Q76.8Confident73.8Confident119 Ų11958.8 Ų58.856%0.55631%0.313SS*.  trans-134.9137.9-179.4-71.4-179.2-19.500109.4N643 P653 E654N643-Q645 PolarHBondContact O-N 3.2Å; Q645-P653 HydrophobicContact CB-CB 4.29Å; Q645-P653 HydrophobicContact CG-CB 4.49Å; Q645-E654 WeakPolarHBondContact CA-O 3.41Å
646I72.4Confident73.8Confident26 Ų2659.5 Ų59.513%0.13332%0.318CS..EExtended strand (participates in β ladder)trans-117139.7171.7-58.4-172.8000108.3W608 F644 E648 E654 P656 V695W608-I646 HydrophobicContact CH2-CD1 3.68Å; W608-I646 HydrophobicContact CZ2-CD1 3.21Å; F644-I646 HydrophobicContact CD1-CG1 4.47Å; F644-I646 HydrophobicContact CE1-CD1 3.67Å; F644-I646 HydrophobicContact CE1-CG1 3.68Å; F644-I646 HydrophobicContact CZ-CD1 3.9Å; F644-I646 HydrophobicContact CZ-CG1 3.85Å; I646-E648 PolarHBondContact O-N 3Å; I646-E654 PolarHBondContact N-O 3.25Å; I646-E654 PolarHBondContact O-N 2.56Å; I646-P656 HydrophobicContact CD1-CG 3.75Å; I646-P656 HydrophobicContact CG1-CG 4.03Å; I646-V695 HydrophobicContact CD1-CG2 4.37Å
647L65Low73.8Confident129 Ų12957.7 Ų57.768%0.67531%0.306SS*.EExtended strand (participates in β ladder)trans-84.8101.7169.9-65.3166.5000108.1P653L647-P653 HydrophobicContact CD2-CB 4.28Å
648E58.1Low73.6Confident68 Ų6861.6 Ų61.632%0.31833%0.327SS..  trans-81.9170.6169.4-80.6-172.7-160.500111.1R589 E610 I646 E650 N651R589-E648 IonicContact NH2-OE1 2.72Å; R589-E648 IonicContact NH2-OE2 3.74Å; E610-E648 VanDerWaalsContact OE1-OE1 3.14Å; I646-E648 PolarHBondContact O-N 3Å; E648-E650 PolarHBondContact O-N 3.43Å; E648-N651 PolarHBondContact O-N 3.29Å
649A48.6Very low73.7Confident112 Ų11262.6 Ų62.693%0.92633%0.331SS*.THydrogen-bonded Turntrans-57.3-9.1-168.500000116.1
650E48.8Very low74.1Confident167 Ų16762.9 Ų62.978%0.7833%0.332SS*.THydrogen-bonded Turntrans-102.810.1177-59.4-166.6171.900114.2E648 I652E648-E650 PolarHBondContact O-N 3.43Å; E650-I652 PolarHBondContact O-N 2.91Å; E650-I652 VanDerWaalsContact O-N 3.16Å
651N56.4Low74.2Confident137 Ų13765.3 Ų65.373%0.73334%0.341SS*.SBendtrans6115179.8-83.3-21.2000115.8E648E648-N651 PolarHBondContact O-N 3.29Å
652I57.3Low74Confident94 Ų9468.4 Ų68.448%0.48236%0.361SS..  trans-93.8120.4172.7-55.4174.9000108.3E650 E654E650-I652 PolarHBondContact O-N 2.91Å; E650-I652 VanDerWaalsContact O-N 3.16Å; I652-E654 HydrophobicContact CG2-CG 4.22Å; I652-E654 PolarHBondContact O-N 3.4Å
653P64.6Low74.1Confident64 Ų6469.5 Ų69.542%0.41637%0.371SS..EExtended strand (participates in β ladder)trans-74107176.927.7-31.2000110.1Q645 L647Q645-P653 HydrophobicContact CB-CB 4.29Å; Q645-P653 HydrophobicContact CG-CB 4.49Å; L647-P653 HydrophobicContact CD2-CB 4.28Å
654E74.4Confident74.5Confident100 Ų10070.3 Ų70.347%0.46738%0.377SS..EExtended strand (participates in β ladder)trans-108.1147.3175.8-67.8-167.5172.200111.2Q645 I646 I652 P656Q645-E654 WeakPolarHBondContact CA-O 3.41Å; I646-E654 PolarHBondContact N-O 3.25Å; I646-E654 PolarHBondContact O-N 2.56Å; I652-E654 HydrophobicContact CG2-CG 4.22Å; I652-E654 PolarHBondContact O-N 3.4Å; E654-P656 VanDerWaalsContact O-CD 3.32Å; E654-P656 WeakPolarHBondContact O-CD 3.16Å
655N78.8Confident74.9Confident33 Ų3372.1 Ų72.118%0.17639%0.39CS..  trans-88.1111.5170.4-173-20.6000108.8I641 R642 F644 L657 K666I641-N655 PolarHBondContact O-ND2 3.14Å; R642-N655 PolarHBondContact O-ND2 2.79Å; F644-N655 VanDerWaalsContact O-CA 3.32Å; F644-N655 WeakPolarHBondContact O-CA 3.35Å; F644-N655 WeakPolarHBondContact O-CB 3.49Å; F644-N655 PolarHBondContact O-ND2 2.92Å; F644-N655 PolarHBondContact O-OD1 3.3Å; N655-L657 PolarHBondContact O-N 3.09Å; N655-L657 WeakPolarHBondContact OD1-CA 3.34Å; N655-L657 VanDerWaalsContact OD1-CB 3.27Å; N655-L657 WeakPolarHBondContact OD1-CB 3.23Å; N655-L657 PolarHBondContact OD1-N 2.74Å; N655-K666 PolarHBondContact ND2-NZ 3.24Å
656P82.6Confident75.4Confident17 Ų1767.5 Ų67.511%0.1137%0.368CS..  trans-72.2-12.2-179.632.2-38.7000113.3G590 W608 F644 I646 E654 L658G590-P656 WeakPolarHBondContact CA-O 3.46Å; W608-P656 HydrophobicContact CD2-CB 4.48Å; W608-P656 HydrophobicContact CD2-CG 4.42Å; W608-P656 HydrophobicContact CG-CB 4.35Å; W608-P656 HydrophobicContact CZ2-CG 4.3Å; F644-P656 HydrophobicContact CD1-CG 3.69Å; F644-P656 HydrophobicContact CE1-CG 3.59Å; I646-P656 HydrophobicContact CD1-CG 3.75Å; I646-P656 HydrophobicContact CG1-CG 4.03Å; E654-P656 VanDerWaalsContact O-CD 3.32Å; E654-P656 WeakPolarHBondContact O-CD 3.16Å; P656-L658 PolarHBondContact O-N 3.44Å
657L86.1Confident76.1Confident0 Ų071.1 Ų71.10%039%0.388CS..  trans-89.5105.7-177.1-49.6178.4000109.8F592 F606 W608 I641 F644 N655 K666F592-L657 HydrophobicContact CB-CD2 3.68Å; F592-L657 HydrophobicContact CD1-CB 3.76Å; F592-L657 HydrophobicContact CD1-CD2 4.02Å; F592-L657 HydrophobicContact CD1-CG 4.42Å; F592-L657 HydrophobicContact CD2-CD2 4.33Å; F592-L657 HydrophobicContact CE1-CB 3.84Å; F592-L657 HydrophobicContact CG-CB 4.32Å; F592-L657 HydrophobicContact CG-CD2 3.77Å; F592-L657 HydrophobicContact CZ-CB 4.44Å; F606-L657 HydrophobicContact CD2-CD1 4.12Å; F606-L657 HydrophobicContact CD2-CD2 3.91Å; F606-L657 HydrophobicContact CE2-CD1 3.77Å; F606-L657 HydrophobicContact CE2-CD2 4Å; F606-L657 HydrophobicContact CE2-CG 4.39Å; F606-L657 HydrophobicContact CZ-CD1 4.01Å; W608-L657 HydrophobicContact CB-CD2 4.01Å; W608-L657 HydrophobicContact CD2-CD2 4.28Å; W608-L657 HydrophobicContact CE3-CD2 4.16Å; W608-L657 HydrophobicContact CG-CD2 4.24Å; I641-L657 HydrophobicContact CG2-CD1 4.11Å; F644-L657 HydrophobicContact CB-CD1 4Å; F644-L657 HydrophobicContact CD1-CD1 3.92Å; F644-L657 HydrophobicContact CD1-CG 3.98Å; F644-L657 HydrophobicContact CG-CD1 4.22Å; N655-L657 PolarHBondContact O-N 3.09Å; N655-L657 WeakPolarHBondContact OD1-CA 3.34Å; N655-L657 VanDerWaalsContact OD1-CB 3.27Å; N655-L657 WeakPolarHBondContact OD1-CB 3.23Å; N655-L657 PolarHBondContact OD1-N 2.74Å; L657-K666 HydrophobicContact CB-CD 4.41Å; L657-K666 WeakPolarHBondContact O-CD 2.98Å; L657-K666 PolarHBondContact O-NZ 3.46Å
658L86.2Confident77.2Confident85 Ų8571.8 Ų71.845%0.44539%0.387SS..  trans-114.9-45-176.5-59.4178.3000112.1G590 P656 K666G590-L658 PolarHBondContact O-N 3.02Å; P656-L658 PolarHBondContact O-N 3.44Å; L658-K666 WeakPolarHBondContact O-CB 3.42Å; L658-K666 PolarHBondContact O-N 3.2Å
659F88.9Confident78.5Confident53 Ų5368.8 Ų68.823%0.23237%0.374CS..EExtended strand (participates in β ladder)trans-128.6126-175.2-54.6-81.4000110.9K588 G590 T591 F592 T664K588-F659 HydrophobicContact CD-CD2 3.89Å; K588-F659 HydrophobicContact CD-CE2 3.87Å; K588-F659 HydrophobicContact CD-CG 4.42Å; K588-F659 HydrophobicContact CD-CZ 4.38Å; K588-F659 HydrophobicContact CG-CD2 4.23Å; G590-F659 PolarHBondContact O-N 3.07Å; T591-F659 CarbonylContact C-O 3.25Å; T591-F659 WeakPolarHBondContact CA-O 3.48Å; F592-F659 WeakPolarHBondContact CD1-O 3.39Å; F592-F659 WeakPolarHBondContact CE1-O 3.27Å; F592-F659 PolarHBondContact N-O 2.79Å; F659-T664 CarbonylContact C-O 3.51Å; F659-T664 VanDerWaalsContact CA-O 3.24Å; F659-T664 WeakPolarHBondContact CA-O 3.38Å
660L91.5Very high80.4Confident7 Ų763.4 Ų63.44%0.03733%0.33CS..EExtended strand (participates in β ladder)trans-74.6136167-177.767.3000109.3L570 F592 L594 P662 D663 T664 A669 F670L570-L660 HydrophobicContact CB-CD2 3.99Å; L570-L660 HydrophobicContact CD2-CD2 3.86Å; L570-L660 HydrophobicContact CG-CD2 4.47Å; F592-L660 HydrophobicContact CD2-CD1 4.1Å; F592-L660 HydrophobicContact CE1-CB 4.33Å; F592-L660 HydrophobicContact CE2-CD1 3.65Å; F592-L660 HydrophobicContact CZ-CB 4.07Å; F592-L660 HydrophobicContact CZ-CD1 4.07Å; L594-L660 HydrophobicContact CD1-CD1 4.38Å; L594-L660 HydrophobicContact CG-CD1 4.11Å; L660-P662 CarbonylContact O-C 3.52Å; L660-D663 PolarHBondContact O-N 2.9Å; L660-T664 PolarHBondContact N-O 2.91Å; L660-T664 PolarHBondContact O-N 2.94Å; L660-A669 HydrophobicContact CB-CB 4.36Å; L660-A669 HydrophobicContact CD2-CB 3.84Å; L660-F670 HydrophobicContact CB-CE2 4.48Å; L660-F670 HydrophobicContact CD1-CE2 4.33Å; L660-F670 HydrophobicContact CD1-CZ 4.31Å; L660-F670 HydrophobicContact CD2-CE2 4.02Å; L660-F670 HydrophobicContact CD2-CZ 4.04Å
661Y87.9Confident82Confident65 Ų6556.8 Ų56.826%0.25531%0.307SS..THydrogen-bonded Turntrans-54.6135.7175.2-177.2-82.7000111.4M572 L583 K587 F592M572-Y661 HydrophobicContact CE-CD1 3.19Å; M572-Y661 HydrophobicContact CE-CE1 3.45Å; M572-Y661 VanDerWaalsContact CE-CE1 3.45Å; M572-Y661 HydrophobicContact CE-CG 3.99Å; L583-Y661 HydrophobicContact CB-CE2 4.19Å; K587-Y661 HydrophobicContact CG-CD2 4.45Å; K587-Y661 HydrophobicContact CG-CE2 4.4Å; F592-Y661 PolarHBondContact O-N 2.91Å
662P83.6Confident83.3Confident65 Ų6555.1 Ų55.142%0.42229%0.293SS..THydrogen-bonded Turncis-77.5-42.55.6-17.432000115.5K587 L660K587-P662 PolarHBondContact NZ-O 3.45Å; L660-P662 CarbonylContact O-C 3.52Å
663D86.4Confident84.5Confident75 Ų7553.1 Ų53.140%0.40128%0.279SS..THydrogen-bonded Turntrans-157.625.3-174.2-75.3-64.5000113K587 K588 L660K587-D663 IonicContact NZ-OD2 3.8Å; K587-D663 PolarHBondContact NZ-OD2 3.21Å; K588-D663 WeakPolarHBondContact CE-OD1 3.44Å; K588-D663 IonicContact NZ-OD1 2.61Å; L660-D663 PolarHBondContact O-N 2.9Å
664T87.5Confident85.3Confident47 Ų4751.4 Ų51.429%0.28827%0.265SS..EExtended strand (participates in β ladder)trans-84.5127.7-176.3-50.60000110.8F659 L660 K666 E668 A669F659-T664 CarbonylContact C-O 3.51Å; F659-T664 VanDerWaalsContact CA-O 3.24Å; F659-T664 WeakPolarHBondContact CA-O 3.38Å; L660-T664 PolarHBondContact N-O 2.91Å; L660-T664 PolarHBondContact O-N 2.94Å; T664-K666 PolarHBondContact O-N 2.98Å; T664-E668 HydrophobicContact CG2-CB 4.37Å; T664-E668 HydrophobicContact CG2-CG 4.43Å; T664-A669 HydrophobicContact CG2-CB 4.1Å
665P90.2Very high85.3Confident52 Ų5248.9 Ų48.934%0.33826%0.256SS..EExtended strand (participates in β ladder)trans-53.5137.1172.8-24.132.9000112.2D667 E668 A669P665-D667 VanDerWaalsContact C-N 3.29Å; P665-D667 PolarHBondContact O-N 3.23Å; P665-E668 HydrophobicContact CB-CB 4.03Å; P665-E668 VanDerWaalsContact CD-OE2 3.27Å; P665-E668 WeakPolarHBondContact CD-OE2 3.28Å; P665-E668 HydrophobicContact CG-CB 4.39Å; P665-E668 WeakPolarHBondContact O-CB 3.17Å; P665-E668 PolarHBondContact O-N 2.75Å; P665-E668 VanDerWaalsContact O-N 3.12Å; P665-A669 PolarHBondContact O-N 3.44Å
666K89.1Confident84.6Confident22 Ų2255 Ų5510%0.09629%0.288CS..Hα-helixtrans-53.2-46.4-178.9177.8-168.766.9-1650112.2F592 I641 N655 L657 L658 T664 E668 A669 F670 Y674F592-K666 HydrophobicContact CE1-CB 4.29Å; F592-K666 HydrophobicContact CE1-CG 4.4Å; F592-K666 HydrophobicContact CZ-CG 4.34Å; I641-K666 HydrophobicContact CG2-CD 3.94Å; I641-K666 HydrophobicContact CG2-CG 4.02Å; N655-K666 PolarHBondContact ND2-NZ 3.24Å; L657-K666 HydrophobicContact CB-CD 4.41Å; L657-K666 WeakPolarHBondContact O-CD 2.98Å; L657-K666 PolarHBondContact O-NZ 3.46Å; L658-K666 WeakPolarHBondContact O-CB 3.42Å; L658-K666 PolarHBondContact O-N 3.2Å; T664-K666 PolarHBondContact O-N 2.98Å; K666-E668 VanDerWaalsContact C-N 3.3Å; K666-E668 PolarHBondContact O-N 2.99Å; K666-A669 PolarHBondContact O-N 2.82Å; K666-F670 HydrophobicContact CG-CD2 4.22Å; K666-F670 WeakPolarHBondContact O-CD2 3.48Å; K666-F670 PolarHBondContact O-N 2.64Å; K666-Y674 WeakPolarHBondContact CG-OH 3.22Å
667D86.5Confident83.5Confident101 Ų10160.3 Ų60.354%0.5431%0.31SS..Hα-helixtrans-72.6-26.5-175.8-55.5-37.7000111.7P665 G671 Y674P665-D667 VanDerWaalsContact C-N 3.29Å; P665-D667 PolarHBondContact O-N 3.23Å; D667-G671 WeakPolarHBondContact O-CA 3.27Å; D667-G671 PolarHBondContact O-N 3.16Å; D667-Y674 HydrophobicContact CB-CE2 4.44Å; D667-Y674 WeakPolarHBondContact OD1-CE2 3.33Å
668E87.4Confident82.1Confident143 Ų14364.6 Ų64.667%0.66834%0.336SS*.Hα-helixtrans-69.8-41.5170.4-172.8-176.6155.600111.1T664 P665 K666T664-E668 HydrophobicContact CG2-CB 4.37Å; T664-E668 HydrophobicContact CG2-CG 4.43Å; P665-E668 HydrophobicContact CB-CB 4.03Å; P665-E668 VanDerWaalsContact CD-OE2 3.27Å; P665-E668 WeakPolarHBondContact CD-OE2 3.28Å; P665-E668 HydrophobicContact CG-CB 4.39Å; P665-E668 WeakPolarHBondContact O-CB 3.17Å; P665-E668 PolarHBondContact O-N 2.75Å; P665-E668 VanDerWaalsContact O-N 3.12Å; K666-E668 VanDerWaalsContact C-N 3.3Å; K666-E668 PolarHBondContact O-N 2.99Å
669A85.6Confident80.9Confident5 Ų562.9 Ų62.94%0.04134%0.339CS..Hα-helixtrans-71-45.4-178.900000113.2L570 L660 T664 P665 K666 W673L570-A669 VanDerWaalsContact CD1-O 3.23Å; L570-A669 WeakPolarHBondContact CD1-O 3.22Å; L570-A669 HydrophobicContact CD2-CB 4.24Å; L660-A669 HydrophobicContact CB-CB 4.36Å; L660-A669 HydrophobicContact CD2-CB 3.84Å; T664-A669 HydrophobicContact CG2-CB 4.1Å; P665-A669 PolarHBondContact O-N 3.44Å; K666-A669 PolarHBondContact O-N 2.82Å; A669-W673 WeakPolarHBondContact O-CZ3 3.11Å
670F88.6Confident79.1Confident0 Ų065 Ų650%037%0.366CS..Hα-helixtrans-111.1-9.2-171.4-60.6-80000114.5I565 L570 F592 L594 H638 I641 L660 K666 K672 W673 Y674I565-F670 HydrophobicContact CD1-CE1 4.47Å; I565-F670 HydrophobicContact CG2-CE1 3.79Å; L570-F670 HydrophobicContact CB-CE1 4.44Å; L570-F670 HydrophobicContact CB-CZ 4.46Å; L570-F670 HydrophobicContact CD1-CD1 4.36Å; L570-F670 HydrophobicContact CD1-CE1 4.17Å; F592-F670 HydrophobicContact CE2-CE2 4.14Å; F592-F670 AromaticContact CZ-CE2 3.82Å; F592-F670 HydrophobicContact CZ-CE2 3.82Å; L594-F670 HydrophobicContact CD1-CE1 4.22Å; L594-F670 HydrophobicContact CD1-CZ 3.73Å; H638-F670 HydrophobicContact CB-CB 4.5Å; H638-F670 HydrophobicContact CB-CD1 4.3Å; I641-F670 HydrophobicContact CD1-CD1 4.34Å; I641-F670 HydrophobicContact CD1-CE1 3.85Å; I641-F670 HydrophobicContact CD1-CE2 4.21Å; I641-F670 HydrophobicContact CD1-CZ 3.81Å; I641-F670 HydrophobicContact CG2-CD2 4.21Å; I641-F670 HydrophobicContact CG2-CE2 4.32Å; L660-F670 HydrophobicContact CB-CE2 4.48Å; L660-F670 HydrophobicContact CD1-CE2 4.33Å; L660-F670 HydrophobicContact CD1-CZ 4.31Å; L660-F670 HydrophobicContact CD2-CE2 4.02Å; L660-F670 HydrophobicContact CD2-CZ 4.04Å; K666-F670 HydrophobicContact CG-CD2 4.22Å; K666-F670 WeakPolarHBondContact O-CD2 3.48Å; K666-F670 PolarHBondContact O-N 2.64Å; F670-K672 PolarHBondContact O-N 2.88Å; F670-K672 VanDerWaalsContact O-N 3.13Å; F670-W673 HydrophobicContact CD1-CE3 4.37Å; F670-W673 HydrophobicContact CD1-CZ3 4.22Å; F670-W673 PolarHBondContact O-N 2.74Å; F670-Y674 HydrophobicContact CB-CD1 4.46Å; F670-Y674 HydrophobicContact CB-CE1 3.54Å; F670-Y674 WeakPolarHBondContact O-CD1 3.29Å
671G83.1Confident77.2Confident28 Ų2870.9 Ų70.929%0.28940%0.398SS..G310 helixtrans-56.7-33.8-170.700000114.7D667 W673 Y674D667-G671 WeakPolarHBondContact O-CA 3.27Å; D667-G671 PolarHBondContact O-N 3.16Å; G671-W673 PolarHBondContact O-N 3.15Å; G671-W673 VanDerWaalsContact O-N 3.11Å; G671-Y674 WeakPolarHBondContact O-CB 3.33Å; G671-Y674 PolarHBondContact O-N 3.41Å
672K83.1Confident75.9Confident101 Ų10168 Ų6844%0.43939%0.387SS..G310 helixtrans-61.7-17.5177.664.2-169.8173.4-172.80115E568 F670E568-K672 IonicContact OE1-NZ 3.92Å; E568-K672 PolarHBondContact OE1-NZ 3.48Å; E568-K672 IonicContact OE2-NZ 3.16Å; E568-K672 PolarHBondContact OE2-NZ 3.47Å; F670-K672 PolarHBondContact O-N 2.88Å; F670-K672 VanDerWaalsContact O-N 3.13Å
673W82.2Confident74.8Confident52 Ų5268.4 Ų68.420%0.19739%0.389CS..G310 helixtrans-110.35.1176.3-56.4-68.7000113N564 I565 E568 L570 H638 A669 F670 G671N564-W673 HydrophobicContact CB-CZ2 3.83Å; I565-W673 HydrophobicContact CG1-CE3 4.43Å; I565-W673 HydrophobicContact CG1-CH2 4.23Å; I565-W673 HydrophobicContact CG1-CZ3 4.19Å; E568-W673 HydrophobicContact CB-CH2 4.15Å; E568-W673 HydrophobicContact CG-CH2 4.07Å; E568-W673 HydrophobicContact CG-CZ2 4.11Å; L570-W673 HydrophobicContact CD1-CH2 3.56Å; L570-W673 HydrophobicContact CD1-CZ3 3.39Å; H638-W673 HydrophobicContact CB-CB 4.42Å; H638-W673 PolarHBondContact CE1-O 2.74Å; H638-W673 PolarHBondContact ND1-O 3.43Å; A669-W673 WeakPolarHBondContact O-CZ3 3.11Å; F670-W673 HydrophobicContact CD1-CE3 4.37Å; F670-W673 HydrophobicContact CD1-CZ3 4.22Å; F670-W673 PolarHBondContact O-N 2.74Å; G671-W673 PolarHBondContact O-N 3.15Å; G671-W673 VanDerWaalsContact O-N 3.11Å
674Y82.6Confident73.8Confident29 Ų2968.2 Ų68.211%0.11438%0.383CS..  trans-71.5140.3177.5-71.1-8.7000111H638 R642 K666 D667 F670 G671H638-Y674 HydrophobicContact CB-CE1 4.46Å; R642-Y674 HydrophobicContact CB-CD1 4.26Å; R642-Y674 HydrophobicContact CB-CE1 3.7Å; R642-Y674 HydrophobicContact CB-CE2 4.42Å; R642-Y674 HydrophobicContact CG-CD1 4.35Å; R642-Y674 HydrophobicContact CG-CD2 4.23Å; R642-Y674 HydrophobicContact CG-CE1 4.04Å; R642-Y674 HydrophobicContact CG-CE2 3.92Å; R642-Y674 HydrophobicContact CG-CG 4.45Å; K666-Y674 WeakPolarHBondContact CG-OH 3.22Å; D667-Y674 HydrophobicContact CB-CE2 4.44Å; D667-Y674 WeakPolarHBondContact OD1-CE2 3.33Å; F670-Y674 HydrophobicContact CB-CD1 4.46Å; F670-Y674 HydrophobicContact CB-CE1 3.54Å; F670-Y674 WeakPolarHBondContact O-CD1 3.29Å; G671-Y674 WeakPolarHBondContact O-CB 3.33Å; G671-Y674 PolarHBondContact O-N 3.41Å
675T73.3Confident72.4Confident46 Ų4667.2 Ų67.228%0.28238%0.376SS..  trans-72.5136.4173.6-33.80000109.3E639 R642 K677E639-T675 WeakPolarHBondContact OE1-CB 3.37Å; E639-T675 PolarHBondContact OE1-N 2.98Å; E639-T675 PolarHBondContact OE1-OG1 3.02Å; R642-T675 PolarHBondContact NH1-O 2.85Å; T675-K677 PolarHBondContact O-N 2.74Å
676D64.3Low70.9Confident161 Ų16172.7 Ų72.786%0.86139%0.394SS*.SBendtrans-62.8-25.5179.9-63-36.5000113.1T678D676-T678 PolarHBondContact O-N 3.01Å
677K59.7Low69.5Low130 Ų13077.7 Ų77.757%0.56541%0.414SS*.  trans-77.5112.9178-60.4-174.1-179-176.70110.4T675 N682T675-K677 PolarHBondContact O-N 2.74Å; K677-N682 WeakPolarHBondContact O-CB 3.48Å
678T57.4Low68.4Low90 Ų9074.6 Ų74.655%0.55240%0.397SS*.  trans-105155.5177.953.10000111.6D676D676-T678 PolarHBondContact O-N 3.01Å
679G60Low67Low48 Ų4875.7 Ų75.750%0.49540%0.399SS..G310 helixtrans69.3-139.6175.300000114.2D681 N682 M685G679-D681 PolarHBondContact O-N 3.07Å; G679-N682 WeakPolarHBondContact O-CB 3.43Å; G679-N682 PolarHBondContact O-N 3.18Å; G679-N682 VanDerWaalsContact O-N 3.17Å; G679-M685 VanDerWaalsContact O-CG 3.28Å; G679-M685 WeakPolarHBondContact O-CG 3.33Å
680A50.1Low65.5Low98 Ų9880.5 Ų80.581%0.8143%0.428SS*.G310 helixtrans-65-19.4-17300000114.5
681D53.1Low64Low130 Ų13083 Ų8370%0.69544%0.439SS*.G310 helixtrans-87.3-4.3179.1-67.5-28.2000113.3G679 P683G679-D681 PolarHBondContact O-N 3.07Å; D681-P683 WeakPolarHBondContact O-CD 3.42Å
682N60Low62.7Low5 Ų588.9 Ų88.93%0.02746%0.463CS..  trans-75119.4173.3-175.1-30.1000109.5E639 K677 G679 Y684 M685E639-N682 PolarHBondContact OE2-ND2 2.96Å; K677-N682 WeakPolarHBondContact O-CB 3.48Å; G679-N682 WeakPolarHBondContact O-CB 3.43Å; G679-N682 PolarHBondContact O-N 3.18Å; G679-N682 VanDerWaalsContact O-N 3.17Å; N682-Y684 PolarHBondContact O-N 3.19Å; N682-Y684 WeakPolarHBondContact OD1-CB 3.27Å; N682-Y684 WeakPolarHBondContact OD1-CD2 3.46Å; N682-Y684 PolarHBondContact OD1-N 3.35Å; N682-M685 HydrophobicContact CB-CB 4.37Å; N682-M685 HydrophobicContact CB-CG 3.87Å; N682-M685 WeakPolarHBondContact O-CB 3.33Å; N682-M685 PolarHBondContact O-N 3.14Å; N682-M685 VanDerWaalsContact O-N 3.11Å
683P61.2Low61.7Low74 Ų7486.8 Ų86.848%0.48146%0.456SS..THydrogen-bonded Turntrans-61.2-22.1-177.225.6-34.5000113.2D681D681-P683 WeakPolarHBondContact O-CD 3.42Å
684Y63.9Low60.4Low70 Ų7091.1 Ų91.128%0.27548%0.476SS..THydrogen-bonded Turntrans-88-16.1-178-51.6-66.7000113.3I635 E639 N682 K686 Y687 I688I635-Y684 HydrophobicContact CG1-CD1 4.41Å; I635-Y684 HydrophobicContact CG2-CG 4.44Å; E639-Y684 HydrophobicContact CG-CD2 4.21Å; N682-Y684 PolarHBondContact O-N 3.19Å; N682-Y684 WeakPolarHBondContact OD1-CB 3.27Å; N682-Y684 WeakPolarHBondContact OD1-CD2 3.46Å; N682-Y684 PolarHBondContact OD1-N 3.35Å; Y684-K686 VanDerWaalsContact C-N 3.29Å; Y684-K686 PolarHBondContact O-N 3.43Å; Y684-Y687 PolarHBondContact O-N 2.89Å; Y684-Y687 VanDerWaalsContact O-N 3.12Å; Y684-I688 WeakPolarHBondContact O-CG1 3.18Å; Y684-I688 PolarHBondContact O-N 2.96Å
685M59.5Low59.3Low27 Ų2792.1 Ų92.113%0.13349%0.485CS..Hα-helixtrans-61.5-34.3-178.4-91.1-65.5108.700113.4N643 G679 N682 Y687 I688 K689N643-M685 HydrophobicContact CB-CE 3.3Å; G679-M685 VanDerWaalsContact O-CG 3.28Å; G679-M685 WeakPolarHBondContact O-CG 3.33Å; N682-M685 HydrophobicContact CB-CB 4.37Å; N682-M685 HydrophobicContact CB-CG 3.87Å; N682-M685 WeakPolarHBondContact O-CB 3.33Å; N682-M685 PolarHBondContact O-N 3.14Å; N682-M685 VanDerWaalsContact O-N 3.11Å; M685-Y687 VanDerWaalsContact C-N 3.3Å; M685-Y687 PolarHBondContact O-N 3.11Å; M685-I688 HydrophobicContact CE-CB 4.21Å; M685-I688 HydrophobicContact CE-CD1 3.72Å; M685-I688 HydrophobicContact CE-CG2 4.22Å; M685-K689 WeakPolarHBondContact O-CB 3.5Å; M685-K689 VanDerWaalsContact O-CG 3.28Å; M685-K689 WeakPolarHBondContact O-CG 3Å; M685-K689 PolarHBondContact O-N 3.04Å
686K59.2Low58.5Low166 Ų16691.3 Ų91.372%0.72248%0.482SS*.Hα-helixtrans-62.2-40.3177-170.3177.3-179.5-179.10111.4Y684 T690Y684-K686 VanDerWaalsContact C-N 3.29Å; Y684-K686 PolarHBondContact O-N 3.43Å; K686-T690 WeakPolarHBondContact O-CG2 3.13Å; K686-T690 PolarHBondContact O-N 3.11Å; K686-T690 PolarHBondContact O-OG1 3.48Å; K686-T690 VanDerWaalsContact O-OG1 3.09Å
687Y58.9Low57.9Low128 Ų12891 Ų9150%0.50247%0.472SS..Hα-helixtrans-77.3-41.2-179.5-67.2-83.3000112.2Y684 M685 K689 T690 K691Y684-Y687 PolarHBondContact O-N 2.89Å; Y684-Y687 VanDerWaalsContact O-N 3.12Å; M685-Y687 VanDerWaalsContact C-N 3.3Å; M685-Y687 PolarHBondContact O-N 3.11Å; Y687-K689 PolarHBondContact O-N 3.31Å; Y687-T690 WeakPolarHBondContact CA-OG1 3.15Å; Y687-T690 PolarHBondContact O-N 2.8Å; Y687-T690 PolarHBondContact O-OG1 3.25Å; Y687-K691 WeakPolarHBondContact O-CB 3.26Å; Y687-K691 PolarHBondContact O-N 3.28Å; Y687-K691 VanDerWaalsContact O-N 3.11Å
688I62.8Low57.3Low36 Ų3687 Ų8719%0.18546%0.456CS..Hα-helixtrans-62-42.8177.9-67.5171.6000110.8I635 N643 Y684 M685 T690 K691I635-I688 HydrophobicContact CD1-CD1 4.42Å; I635-I688 HydrophobicContact CD1-CG1 3.5Å; I635-I688 VanDerWaalsContact CD1-CG1 3.5Å; I635-I688 HydrophobicContact CG1-CG1 4.33Å; I635-I688 HydrophobicContact CG2-CD1 4.08Å; I635-I688 HydrophobicContact CG2-CG1 4.32Å; N643-I688 HydrophobicContact CB-CD1 3.96Å; Y684-I688 WeakPolarHBondContact O-CG1 3.18Å; Y684-I688 PolarHBondContact O-N 2.96Å; M685-I688 HydrophobicContact CE-CB 4.21Å; M685-I688 HydrophobicContact CE-CD1 3.72Å; M685-I688 HydrophobicContact CE-CG2 4.22Å; I688-T690 VanDerWaalsContact C-N 3.3Å; I688-T690 PolarHBondContact O-N 3.39Å; I688-K691 PolarHBondContact O-N 2.83Å
689K58.2Low56.2Low165 Ų16591.2 Ų91.272%0.71748%0.475SS*.Hα-helixtrans-66-28.6177.6-73.3179.8180-175.30113.9M685 Y687M685-K689 WeakPolarHBondContact O-CB 3.5Å; M685-K689 VanDerWaalsContact O-CG 3.28Å; M685-K689 WeakPolarHBondContact O-CG 3Å; M685-K689 PolarHBondContact O-N 3.04Å; Y687-K689 PolarHBondContact O-N 3.31Å
690T55.3Low54.7Low107 Ų10792.8 Ų92.866%0.65648%0.478SS*.Hα-helixtrans-87.7-11.8178.150.10000113.6K686 Y687 I688 L692K686-T690 WeakPolarHBondContact O-CG2 3.13Å; K686-T690 PolarHBondContact O-N 3.11Å; K686-T690 PolarHBondContact O-OG1 3.48Å; K686-T690 VanDerWaalsContact O-OG1 3.09Å; Y687-T690 WeakPolarHBondContact CA-OG1 3.15Å; Y687-T690 PolarHBondContact O-N 2.8Å; Y687-T690 PolarHBondContact O-OG1 3.25Å; I688-T690 VanDerWaalsContact C-N 3.3Å; I688-T690 PolarHBondContact O-N 3.39Å; T690-L692 PolarHBondContact O-N 3.11Å
691K55.6Low53.8Low53 Ų5396.7 Ų96.723%0.2348%0.484CS..  trans-92.2107.5-174.2-167.6173-172.1163.60110.8D631 Y687 I688 M693D631-K691 WeakPolarHBondContact OD1-CE 3.5Å; D631-K691 IonicContact OD1-NZ 3.69Å; D631-K691 PolarHBondContact OD1-NZ 3.07Å; Y687-K691 WeakPolarHBondContact O-CB 3.26Å; Y687-K691 PolarHBondContact O-N 3.28Å; Y687-K691 VanDerWaalsContact O-N 3.11Å; I688-K691 PolarHBondContact O-N 2.83Å; K691-M693 HydrophobicContact CD-SD 3.88Å; K691-M693 HydrophobicContact CG-SD 3.86Å; K691-M693 PolarHBondContact O-N 2.63Å
692L56.4Low52.8Low151 Ų15195.8 Ų95.879%0.79148%0.476SS*.PPolyproline II helixtrans-70.8117.1171-75.1158.1000109.4T690T690-L692 PolarHBondContact O-N 3.11Å
693M61.6Low51.3Low57 Ų57100 Ų10028%0.28151%0.512SS..PPolyproline II helixtrans-102.8120.3175.1-63.3-57.2-50.800109.3V624 F627 F644 K691V624-M693 HydrophobicContact CG1-CE 3.47Å; V624-M693 VanDerWaalsContact CG1-CE 3.47Å; F627-M693 HydrophobicContact CD1-CE 3.97Å; F627-M693 HydrophobicContact CE1-CE 3.13Å; F627-M693 HydrophobicContact CE1-SD 3.69Å; F627-M693 HydrophobicContact CE2-CE 4.09Å; F627-M693 HydrophobicContact CZ-CE 3.22Å; F627-M693 HydrophobicContact CZ-SD 4.18Å; F644-M693 HydrophobicContact CE2-CB 4.5Å; K691-M693 HydrophobicContact CD-SD 3.88Å; K691-M693 HydrophobicContact CG-SD 3.86Å; K691-M693 PolarHBondContact O-N 2.63Å
694F55.7Low49.6Very low142 Ų142108.2 Ų108.262%0.62353%0.533SS*.PPolyproline II helixtrans-79.7127.5175.9-66-83.9000110.3Q625Q625-F694 PolarHBondContact N-O 2.82Å; Q625-F694 VanDerWaalsContact N-O 3.13Å
695V60Low47.7Very low51 Ų51110.1 Ų110.131%0.30956%0.556SS.*EExtended strand (participates in β ladder)trans-115.2115.8177-177.70000108.1W608 K622 V624 F644 I646W608-V695 HydrophobicContact CH2-CG1 3.67Å; W608-V695 HydrophobicContact CH2-CG2 4.25Å; W608-V695 HydrophobicContact CZ2-CG1 4.08Å; K622-V695 HydrophobicContact CB-CG1 3.93Å; K622-V695 HydrophobicContact CD-CG1 3.82Å; K622-V695 HydrophobicContact CG-CG1 4.17Å; V624-V695 HydrophobicContact CG2-CG2 3.95Å; F644-V695 HydrophobicContact CZ-CG2 4.46Å; I646-V695 HydrophobicContact CD1-CG2 4.37Å
696S55.6Low46Very low29 Ų29114.8 Ų114.820%0.20359%0.589CS.*EExtended strand (participates in β ladder)trans-85.6129.5178.450.10000111.2T623 E702T623-S696 PolarHBondContact O-N 2.97Å; S696-E702 WeakPolarHBondContact CB-OE1 3.25Å; S696-E702 PolarHBondContact OG-OE1 2.99Å; S696-E702 VanDerWaalsContact OG-OE1 3.07Å
697K50.8Low44.4Very low154 Ų154115.2 Ų115.267%0.6760%0.595SS**EExtended strand (participates in β ladder)trans-90.198.3165.3-73.7-172.9179.4-1740107.4N699K697-N699 VanDerWaalsContact C-N 3.3Å; K697-N699 PolarHBondContact O-N 3Å
698E48.3Very low42.7Very low47 Ų47113.9 Ų113.922%0.2261%0.605CS.*SBendtrans-87.963.7-160.8-139.6-172.3-153.600112.8R577 K581R577-E698 IonicContact CZ-OE1 3.33Å; R577-E698 IonicContact NH1-OE1 2.71Å; R577-E698 PolarHBondContact NH1-OE1 2.91Å; K581-E698 IonicContact NZ-OE2 3.51Å; K581-E698 PolarHBondContact NZ-OE2 2.99Å
699N33.6Very low40.9Very low178 Ų178118.1 Ų118.195%0.95264%0.636SS**SBendtrans-102.212152.2-93-0.3000111.7K697K697-N699 VanDerWaalsContact C-N 3.3Å; K697-N699 PolarHBondContact O-N 3Å
700S28.4Very low39.2Very low81 Ų81116.8 Ų116.857%0.56664%0.637SS**SBendtrans-126.6133.6175.951.50000110.5E702S700-E702 PolarHBondContact O-N 3.48Å
701L30.9Very low37.9Very low179 Ų179120.1 Ų120.194%0.93765%0.647SS**PPolyproline II helixtrans-57.1117.3167.7-72.2153.9000107.7A703L701-A703 PolarHBondContact O-N 3.16Å
702E33.8Very low36.4Very low112 Ų112123.7 Ų123.752%0.52367%0.674SS.*PPolyproline II helixtrans-59.6125.3-179.8-81.4177.1158.200110.6R577 S696 S700R577-E702 IonicContact NH1-OE2 2.74Å; R577-E702 IonicContact NH2-OE2 2.74Å; S696-E702 WeakPolarHBondContact CB-OE1 3.25Å; S696-E702 PolarHBondContact OG-OE1 2.99Å; S696-E702 VanDerWaalsContact OG-OE1 3.07Å; S700-E702 PolarHBondContact O-N 3.48Å
703A26.8Very low35.1Very low93 Ų93125.7 Ų125.777%0.76968%0.679SS**PPolyproline II helixtrans-60.7143168.600000110.1L701 S705L701-A703 PolarHBondContact O-N 3.16Å; A703-S705 PolarHBondContact O-N 2.92Å
704R25.8Very low33.2Very low247 Ų247126.3 Ų126.393%0.93270%0.7SS**PPolyproline II helixtrans-49.5138.2166.2-80-179.5172.2179.5-3.1109.9
705S24Very low31.7Very low109 Ų109127.9 Ų127.976%0.76272%0.715SS**PPolyproline II helixtrans-47.6138.1170.8-44.80000111.4A703 M707A703-S705 PolarHBondContact O-N 2.92Å; S705-M707 PolarHBondContact O-N 3.14Å
706P25.3Very low29.9Very low126 Ų126131.3 Ų131.382%0.81874%0.74SS**PPolyproline II helixtrans-70.3118.7159.16.87.7000108
707M24.8Very low28.4Very low174 Ų174138.3 Ų138.386%0.85777%0.774SS**  trans25.3128.5163.3-74.3-160.6-83.100120.7S705 C709S705-M707 PolarHBondContact O-N 3.14Å; M707-C709 PolarHBondContact O-N 3.46Å
708S23.6Very low27.2Very low100 Ų100139.8 Ų139.870%0.69978%0.783SS**  trans-45123.5150.349.80000111.7D710S708-D710 PolarHBondContact O-N 2.95Å
709C23.5Very low26.1Very low125 Ų125143.8 Ų143.885%0.84581%0.813SS**  trans-76.7106158-77.40000107.8M707 M711M707-C709 PolarHBondContact O-N 3.46Å; C709-M711 PolarHBondContact O-N 3.46Å
710D24.5Very low25.5Very low138 Ų138144.2 Ų144.274%0.73881%0.812SS**  trans-56.9120.7162.3-89.8-33.9000109S708S708-D710 PolarHBondContact O-N 2.95Å
711M26Very low25.3Very low177 Ų177148 Ų14887%0.87283%0.826SS**  trans-123.776.8160.5-80.7-70.5-149.400107.3C709C709-M711 PolarHBondContact O-N 3.46Å
712T25.4Very low25Very low127 Ų127142.4 Ų142.478%0.77981%0.811SS**  trans-91.5115152.5420000107.1
713Q28.2Very low24.5Very low193 Ų193145.6 Ų145.690%0.90283%0.831SS**  trans-77.3126169.5-92.2-177.7-8.300109.9
714G22.7Very low24.2Very low70 Ų70152.5 Ų152.572%0.72284%0.839SS**  trans95.391.1136.800000116.4
715D23.7Very low24.2Very low176 Ų176144.3 Ų144.394%0.94183%0.831SS**  trans-135.4135.1130.1-99.6-29.6000109.7
716C21.9Very low24.1Very low122 Ų122148.5 Ų148.582%0.82484%0.839SS**  trans-85.6114.5-165.6-162.20000110.2
717L25.3Very low24.1Very low177 Ų177147.6 Ų147.693%0.92784%0.841SS**  trans-145.5129.8162.8-76.5175.2000111.3
718E24.3Very low24Very low184 Ų184143.5 Ų143.586%0.8684%0.836SS**  trans-63.5162.9-171.8-69.2-178.1149.800115.5
719P24.5Very low24.1Very low131 Ų131146.9 Ų146.985%0.85184%0.84SS**  trans-84.5133.3-173.933.5-30.3000111.6
720M22.1Very low24.1Very low187 Ų187148.1 Ų148.192%0.92183%0.833SS**  trans-112.1107.5172.2-122.1-90.8-132.500109.6
721N25.1Very low24Very low161 Ų161149 Ų14986%0.86183%0.833SS**  trans-76128.6164.2-110.3-10.4000108.9
722G22.6Very low23.9Very low61 Ų61148 Ų14863%0.62983%0.831SS**  trans71121.9132.500000120.7
723L24.3Very low23.8Very low180 Ų180150.3 Ų150.394%0.94283%0.833SS**  trans93.3118.7136.9-67.7153.4000119.4
724Y21.5Very low24.6Very low238 Ų238145.2 Ų145.293%0.93382%0.817SS**  trans-61.2146.1155.9-99.6-103.4000111.5
725G24.1Very low24.8Very low74 Ų74152 Ų15276%0.76382%0.821SS**  trans167.1110.4161.100000113.4
726E23.7Very low24.8Very low198 Ų198150.5 Ų150.593%0.92581%0.812SS**  trans-58150.1175-62.6162.3133.100113.7
727A24.2Very low25Very low106 Ų106152.8 Ų152.888%0.87682%0.815SS**  173.9157.2120.800000113.2
728A23.7Very low25Very low89 Ų89152.3 Ų152.374%0.73681%0.808SS**  trans-65.1171.2-172.900000118.1
729E24.1Very low25Very low171 Ų171148 Ų14880%0.79980%0.799SS**  trans97.4118.6144.1-85.3170.4-163.500122
730Q23.8Very low25.1Very low150 Ų150150.4 Ų150.470%0.70180%0.798SS**  trans67.2125131-79.5178.6-22.600124
731E23.1Very low25.3Very low158 Ų158149 Ų14974%0.73879%0.794SS**  trans83134.8132.7-72.5-177.5176.500122.8
732D24.3Very low25.4Very low154 Ų154149.6 Ų149.682%0.82479%0.791SS**  trans88.8114.2150.4-75-13.3000123.7
733E23.2Very low25.6Very low176 Ų176151.7 Ų151.782%0.82279%0.792SS**  trans-59.4-172.5157.7-110.4-160.4179.900113.3
734P45.4Very low25.7Very low87 Ų87151.1 Ų151.157%0.56578%0.782SS**  cis-139.4-166.2-29.430.3-7.9000113.2
735R25.7Very low26Very low213 Ų213148.2 Ų148.280%0.80478%0.777SS**  trans109.6107.4150.8-60.5-162.7175174.3-0.2116.6
736L24.7Very low26.4Very low143 Ų143151.9 Ų151.975%0.74978%0.779SS**  77.4118.285.7-80.8163.1000113.8
737L26.1Very low27.4Very low171 Ų171148.6 Ų148.690%0.89578%0.775SS**  -172.2116.6123-96.8154.6000112.2
738Q24.1Very low27.8Very low167 Ų167151.1 Ų151.178%0.7877%0.771SS**  trans-39.5165.3148.2-84.3166.7-29.600112.7
739S25.5Very low28.4Very low94 Ų94153.5 Ų153.566%0.65777%0.77SS**  cis172.9148.912.543.40000105
740Q26Very low28.9Very low180 Ų180150.4 Ų150.484%0.84177%0.768SS**  155.3128.993.1-73.2-169.8-35.500103.9
741L27Very low29.3Very low158 Ų158148.3 Ų148.383%0.82777%0.77SS**  53.7106.771.2-116.4123.9000116.4
742E26.5Very low30Very low173 Ų173150.2 Ų150.281%0.80880%0.801SS**  160.5113.8121.5-84.3-174.3174.600110.6
743T26Very low30.3Very low105 Ų105150.1 Ų150.164%0.64480%0.799SS**  77.1133.188-12.90000117.4
744F26.2Very low30.7Very low168 Ų168148.7 Ų148.774%0.73780%0.798SS**  trans114.7111.9146.8-79.5-72.5000121.8
745Q27.7Very low29.8Very low177 Ų177152.1 Ų152.183%0.82781%0.811SS**  91126.7123.2-104.6164.75.300123.9
746D34.3Very low30.1Very low152 Ų152148.5 Ų148.581%0.81381%0.812SS**  trans-51.1162.2162.6-95.2-35.7000115.2
747P43.2Very low30.4Very low129 Ų129148.9 Ų148.984%0.83882%0.816SS**  -145.5162.9108.333.1-14.4000117.3
748M34.1Very low30.7Very low158 Ų158147.4 Ų147.478%0.77881%0.81SS**  trans-75.2158.8-177.3-78.8-131.1-76.200117.9
749L36.5Very low31.2Very low139 Ų139146 Ų14673%0.72881%0.812SS**  trans56.3121.2137.3-70.3168.2000122
750S33.1Very low31.6Very low107 Ų107150 Ų15075%0.74882%0.824SS**  143.1148.3101.661.90000116
751S33.2Very low32.1Very low106 Ų106147.5 Ų147.574%0.74182%0.823SS**  trans76.8102.4157.969.30000120.4
752S37.5Very low32.6Very low198 Ų198146.5 Ų146.5100%1.38582%0.822SS**  -177.50106.5-70.20000110.4

Retrieved 752 of 752 residues in 607 ms (Link to these results)

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