A0A077YY66_TRITR Loading...

Signal transducer and activator of transcription

AlphaFold DB , UniProt , Accession A0A077YY66, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 696 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
1M54.3Low89.2Confident236 Ų23660.8 Ų60.8100%1.16335%0.346SS*.  0141.80-85.9-167.9-88.100107.9A3M1-A3 PolarHBondContact O-N 3.24Å
2D86Confident89.7Confident48 Ų4856.9 Ų56.926%0.25733%0.33SS..  trans-62.3118.7174.1-177.6-31.1000109.1L4 L5 G6 R131D2-L4 VanDerWaalsContact C-N 3.26Å; D2-L4 PolarHBondContact O-N 3.16Å; D2-L4 WeakPolarHBondContact OD1-CB 3.45Å; D2-L4 PolarHBondContact OD1-N 3.49Å; D2-L5 HydrophobicContact CB-CB 4.16Å; D2-L5 HydrophobicContact CB-CD1 3.93Å; D2-L5 HydrophobicContact CB-CG 4.07Å; D2-L5 PolarHBondContact O-N 3.49Å; D2-G6 PolarHBondContact O-N 3.38Å; D2-R131 IonicContact OD1-CZ 2.8Å; D2-R131 VanDerWaalsContact OD1-CZ 3.29Å; D2-R131 IonicContact OD1-NH1 2.76Å; D2-R131 PolarHBondContact OD1-NH1 2.97Å; D2-R131 VanDerWaalsContact OD1-NH1 3.13Å; D2-R131 IonicContact OD1-NH2 3.75Å; D2-R131 PolarHBondContact OD1-NH2 3.17Å; D2-R131 IonicContact OD2-CZ 3.67Å; D2-R131 IonicContact OD2-NH1 3.77Å; D2-R131 PolarHBondContact OD2-NH1 2.89Å; D2-R131 IonicContact OD2-NH2 3.48Å
3A89.4Confident90.1Very high48 Ų4863 Ų6340%0.39735%0.35SS..Hα-helixtrans-56.4-39.9-17700000112.4M1 L5 G6 H7M1-A3 PolarHBondContact O-N 3.24Å; A3-L5 PolarHBondContact O-N 3.24Å; A3-G6 PolarHBondContact O-N 2.92Å; A3-H7 PolarHBondContact O-CD2 3.3Å; A3-H7 VanDerWaalsContact O-CG 3.25Å; A3-H7 PolarHBondContact O-N 3.41Å
4L91Very high90.6Very high0 Ų060.4 Ų60.40%034%0.335CS..Hα-helixtrans-64-44.3179.7-178.561.4000111.4D2 G6 H7 L8 A124 E127 L147 I151D2-L4 VanDerWaalsContact C-N 3.26Å; D2-L4 PolarHBondContact O-N 3.16Å; D2-L4 WeakPolarHBondContact OD1-CB 3.45Å; D2-L4 PolarHBondContact OD1-N 3.49Å; L4-G6 VanDerWaalsContact C-N 3.29Å; L4-G6 PolarHBondContact O-N 3.05Å; L4-H7 PolarHBondContact O-N 3.47Å; L4-L8 HydrophobicContact CG-CD1 4.25Å; L4-L8 WeakPolarHBondContact O-CG 3.34Å; L4-L8 PolarHBondContact O-N 3.47Å; L4-A124 HydrophobicContact CD1-CB 3.94Å; L4-A124 WeakPolarHBondContact CD1-O 3.37Å; L4-E127 HydrophobicContact CB-CG 3.94Å; L4-E127 HydrophobicContact CD1-CB 4.33Å; L4-E127 HydrophobicContact CD1-CG 4.4Å; L4-L147 HydrophobicContact CD2-CB 4.05Å; L4-L147 HydrophobicContact CD2-CD1 4Å; L4-L147 HydrophobicContact CD2-CD2 3.99Å; L4-L147 HydrophobicContact CD2-CG 4.24Å; L4-I151 HydrophobicContact CD1-CD1 4.05Å; L4-I151 HydrophobicContact CD2-CD1 4.49Å
5L92.8Very high91Very high63 Ų6356.8 Ų56.833%0.3332%0.315SS..Hα-helixtrans-65.5-34.9176.6-68.2177.7000111.7D2 A3 L8 S9 L147D2-L5 HydrophobicContact CB-CB 4.16Å; D2-L5 HydrophobicContact CB-CD1 3.93Å; D2-L5 HydrophobicContact CB-CG 4.07Å; D2-L5 PolarHBondContact O-N 3.49Å; A3-L5 PolarHBondContact O-N 3.24Å; L5-L8 PolarHBondContact O-N 3.34Å; L5-S9 WeakPolarHBondContact O-CB 3.4Å; L5-S9 PolarHBondContact O-N 3.45Å; L5-L147 HydrophobicContact CD2-CD2 3.97Å
6G93.5Very high91.3Very high38 Ų3861.9 Ų61.939%0.39234%0.335SS..Hα-helixtrans-59.5-49.5171.600000112.1D2 A3 L4 S9 H10D2-G6 PolarHBondContact O-N 3.38Å; A3-G6 PolarHBondContact O-N 2.92Å; L4-G6 VanDerWaalsContact C-N 3.29Å; L4-G6 PolarHBondContact O-N 3.05Å; G6-S9 PolarHBondContact O-N 3.37Å; G6-H10 PolarHBondContact O-N 3.03Å; G6-H10 VanDerWaalsContact O-N 3.09Å
7H93.5Very high91.6Very high48 Ų4862.5 Ų62.522%0.22234%0.335CS..Hα-helixtrans-61.4-45.2177.5-60163.5000111.8A3 L4 S9 H10 L11 L119 E123 A124A3-H7 PolarHBondContact O-CD2 3.3Å; A3-H7 VanDerWaalsContact O-CG 3.25Å; A3-H7 PolarHBondContact O-N 3.41Å; L4-H7 PolarHBondContact O-N 3.47Å; H7-S9 VanDerWaalsContact C-N 3.32Å; H7-S9 PolarHBondContact O-N 3.37Å; H7-H10 PolarHBondContact O-N 3.42Å; H7-L11 WeakPolarHBondContact O-CB 3.45Å; H7-L11 PolarHBondContact O-N 3.3Å; H7-L119 HydrophobicContact CB-CD1 4.46Å; H7-E123 HydrophobicContact CB-CB 4.46Å; H7-E123 IonicContact CE1-OE2 3.57Å; H7-E123 PolarHBondContact CE1-OE2 2.62Å; H7-E123 IonicContact NE2-OE2 2.67Å; H7-A124 HydrophobicContact CB-CB 4.27Å
8L94.4Very high92Very high8 Ų859 Ų594%0.04232%0.317CS..Hα-helixtrans-63.6-35.2178.4-71.5174.7000112.9L4 L5 G12 A124 Q150 I151 R154L4-L8 HydrophobicContact CG-CD1 4.25Å; L4-L8 WeakPolarHBondContact O-CG 3.34Å; L4-L8 PolarHBondContact O-N 3.47Å; L5-L8 PolarHBondContact O-N 3.34Å; L8-G12 PolarHBondContact O-N 2.97Å; L8-A124 HydrophobicContact CD2-CB 4.19Å; L8-Q150 HydrophobicContact CD1-CB 4.1Å; L8-I151 HydrophobicContact CD1-CG1 4.5Å; L8-I151 HydrophobicContact CD2-CG1 4Å; L8-R154 HydrophobicContact CD2-CG 4.11Å
9S95Very high92.2Very high74 Ų7456.7 Ų56.752%0.51731%0.306SS..Hα-helixtrans-68.4-43.5175.5-179.90000111.9L5 G6 H7 L11 G12 K13L5-S9 WeakPolarHBondContact O-CB 3.4Å; L5-S9 PolarHBondContact O-N 3.45Å; G6-S9 PolarHBondContact O-N 3.37Å; H7-S9 VanDerWaalsContact C-N 3.32Å; H7-S9 PolarHBondContact O-N 3.37Å; S9-L11 VanDerWaalsContact C-N 3.35Å; S9-G12 PolarHBondContact O-N 3.33Å; S9-K13 PolarHBondContact O-N 2.86Å
10H95Very high92.4Very high105 Ų10558.4 Ų58.449%0.48632%0.318SS..Hα-helixtrans-64.8-41.8176.5-175.835.7000111.5G6 H7 G12 K13 L14 L119G6-H10 PolarHBondContact O-N 3.03Å; G6-H10 VanDerWaalsContact O-N 3.09Å; H7-H10 PolarHBondContact O-N 3.42Å; H10-G12 VanDerWaalsContact C-N 3.31Å; H10-G12 PolarHBondContact O-N 3.27Å; H10-K13 PolarHBondContact O-N 2.89Å; H10-L14 PolarHBondContact O-N 2.94Å; H10-L119 HydrophobicContact CB-CD2 4Å; H10-L119 WeakPolarHBondContact CD2-CD2 3.39Å
11L95.9Very high92.6Very high1 Ų157 Ų571%0.00531%0.309CS..Hα-helixtrans-61.4-38.6175.8-178.662000112.2H7 S9 K13 L14 L15 S116 L119 L120 R154H7-L11 WeakPolarHBondContact O-CB 3.45Å; H7-L11 PolarHBondContact O-N 3.3Å; S9-L11 VanDerWaalsContact C-N 3.35Å; L11-K13 VanDerWaalsContact C-N 3.26Å; L11-K13 PolarHBondContact O-N 2.85Å; L11-L14 PolarHBondContact O-N 2.98Å; L11-L15 HydrophobicContact CD1-CD1 4.28Å; L11-L15 HydrophobicContact CD1-CD2 4.44Å; L11-L15 HydrophobicContact CD1-CG 4.07Å; L11-L15 HydrophobicContact CD2-CD1 4.46Å; L11-L15 HydrophobicContact CG-CD1 3.93Å; L11-L15 HydrophobicContact CG-CG 4.17Å; L11-L15 WeakPolarHBondContact O-CG 3.4Å; L11-L15 PolarHBondContact O-N 3.45Å; L11-S116 WeakPolarHBondContact CD1-O 3.41Å; L11-L119 HydrophobicContact CB-CD2 3.73Å; L11-L119 HydrophobicContact CB-CG 4.22Å; L11-L119 HydrophobicContact CD1-CB 4.38Å; L11-L119 HydrophobicContact CD1-CD2 4.28Å; L11-L120 HydrophobicContact CD1-CB 4.38Å; L11-L120 HydrophobicContact CD2-CB 3.73Å; L11-L120 HydrophobicContact CD2-CD1 3.64Å; L11-L120 HydrophobicContact CD2-CG 4.14Å; L11-R154 HydrophobicContact CD2-CB 3.81Å; L11-R154 HydrophobicContact CD2-CG 3.9Å
12G95.5Very high94.5Very high14 Ų1446 Ų4614%0.14426%0.256CS..Hα-helixtrans-54.3-42.9175.400000112.8L8 S9 H10 L15 E16L8-G12 PolarHBondContact O-N 2.97Å; S9-G12 PolarHBondContact O-N 3.33Å; H10-G12 VanDerWaalsContact C-N 3.31Å; H10-G12 PolarHBondContact O-N 3.27Å; G12-L15 PolarHBondContact O-N 3.02Å; G12-E16 WeakPolarHBondContact O-CG 3.47Å; G12-E16 PolarHBondContact O-N 3.22Å
13K95.6Very high95Very high136 Ų13650.4 Ų50.459%0.59127%0.273SS*.Hα-helixtrans-66.5-41.8178.4-62.3178.5-178.7179.10112.6S9 H10 L11 E16 E17S9-K13 PolarHBondContact O-N 2.86Å; H10-K13 PolarHBondContact O-N 2.89Å; L11-K13 VanDerWaalsContact C-N 3.26Å; L11-K13 PolarHBondContact O-N 2.85Å; K13-E16 PolarHBondContact O-N 3.44Å; K13-E17 PolarHBondContact O-N 3.38Å
14L96.2Very high95.3Very high27 Ų2752 Ų5214%0.14127%0.272CS..Hα-helixtrans-65.4-39.6177-76.2172.4000111.8H10 L11 E17 L18 L112 L119H10-L14 PolarHBondContact O-N 2.94Å; L11-L14 PolarHBondContact O-N 2.98Å; L14-E17 PolarHBondContact O-N 2.96Å; L14-L18 WeakPolarHBondContact O-CB 3.49Å; L14-L18 PolarHBondContact O-N 3.47Å; L14-L112 HydrophobicContact CD2-CD2 4.45Å; L14-L119 HydrophobicContact CD1-CD2 3.91Å
15L96.5Very high95.6Very high6 Ų652 Ų523%0.03127%0.272CS..Hα-helixtrans-68.8-34.1176.8-68.1177.3000112.3L11 G12 L18 C19 R154 Y157 L158L11-L15 HydrophobicContact CD1-CD1 4.28Å; L11-L15 HydrophobicContact CD1-CD2 4.44Å; L11-L15 HydrophobicContact CD1-CG 4.07Å; L11-L15 HydrophobicContact CD2-CD1 4.46Å; L11-L15 HydrophobicContact CG-CD1 3.93Å; L11-L15 HydrophobicContact CG-CG 4.17Å; L11-L15 WeakPolarHBondContact O-CG 3.4Å; L11-L15 PolarHBondContact O-N 3.45Å; G12-L15 PolarHBondContact O-N 3.02Å; L15-L18 HydrophobicContact CD2-CD2 4.35Å; L15-L18 PolarHBondContact O-N 3.06Å; L15-C19 WeakPolarHBondContact O-CB 3.33Å; L15-C19 PolarHBondContact O-N 3.3Å; L15-R154 HydrophobicContact CD1-CB 4.14Å; L15-R154 HydrophobicContact CD1-CG 4.4Å; L15-Y157 HydrophobicContact CB-CD1 3.89Å; L15-Y157 HydrophobicContact CB-CE1 3.95Å; L15-Y157 HydrophobicContact CD1-CD1 4.06Å; L15-Y157 HydrophobicContact CD2-CD1 4.08Å; L15-Y157 HydrophobicContact CG-CD1 4.22Å; L15-L158 HydrophobicContact CD2-CB 4.08Å; L15-L158 HydrophobicContact CD2-CD1 3.9Å; L15-L158 HydrophobicContact CD2-CG 4.49Å
16E96.4Very high95.8Very high138 Ų13851.3 Ų51.365%0.64527%0.268SS*.Hα-helixtrans-64.3-43.1171.1-76.5172.3-168.600111.6G12 K13 C19 T20G12-E16 WeakPolarHBondContact O-CG 3.47Å; G12-E16 PolarHBondContact O-N 3.22Å; K13-E16 PolarHBondContact O-N 3.44Å; E16-C19 VanDerWaalsContact O-CB 3.31Å; E16-C19 WeakPolarHBondContact O-CB 3.43Å; E16-C19 PolarHBondContact O-N 3.23Å; E16-T20 PolarHBondContact O-N 3.41Å; E16-T20 VanDerWaalsContact O-N 3.12Å
17E96.8Very high95.9Very high72 Ų7252.7 Ų52.734%0.33627%0.272SS..Hα-helixtrans-62.6-45174.4-170176.2172.400111.2K13 L14 C19 T20 E21 R108 L112K13-E17 PolarHBondContact O-N 3.38Å; L14-E17 PolarHBondContact O-N 2.96Å; E17-C19 VanDerWaalsContact C-N 3.3Å; E17-C19 PolarHBondContact O-N 3.27Å; E17-T20 PolarHBondContact O-N 3.01Å; E17-T20 VanDerWaalsContact O-N 3.12Å; E17-T20 PolarHBondContact O-OG1 2.92Å; E17-E21 PolarHBondContact O-N 3.36Å; E17-R108 IonicContact OE1-CZ 2.69Å; E17-R108 IonicContact OE1-NH2 3.12Å; E17-R108 PolarHBondContact OE1-NH2 3.45Å; E17-L112 HydrophobicContact CG-CD1 3.99Å; E17-L112 HydrophobicContact CG-CD2 4.23Å
18L97.6Very high96Very high0 Ų052 Ų520%027%0.269CS..Hα-helixtrans-58.9-40.4175.1179.861.8000111.9L14 L15 T20 E21 S22 L112 V113 L158 E161 L165L14-L18 WeakPolarHBondContact O-CB 3.49Å; L14-L18 PolarHBondContact O-N 3.47Å; L15-L18 HydrophobicContact CD2-CD2 4.35Å; L15-L18 PolarHBondContact O-N 3.06Å; L18-T20 VanDerWaalsContact C-N 3.33Å; L18-T20 PolarHBondContact O-N 3.09Å; L18-E21 PolarHBondContact O-N 2.94Å; L18-S22 WeakPolarHBondContact O-CB 3.26Å; L18-S22 PolarHBondContact O-N 3.47Å; L18-L112 HydrophobicContact CB-CB 4.4Å; L18-L112 HydrophobicContact CD1-CB 3.95Å; L18-V113 HydrophobicContact CD1-CG2 3.81Å; L18-V113 HydrophobicContact CD2-CG2 3.89Å; L18-L158 HydrophobicContact CD2-CD1 3.67Å; L18-E161 HydrophobicContact CD2-CB 4.05Å; L18-E161 HydrophobicContact CG-CB 4.34Å; L18-L165 HydrophobicContact CD1-CD1 4.02Å
19C96Very high96.1Very high16 Ų1653.1 Ų53.111%0.10827%0.273CS..Hα-helixtrans-59.2-44.6175.1-171.90000112L15 E16 E17 S22 K23 Y157L15-C19 WeakPolarHBondContact O-CB 3.33Å; L15-C19 PolarHBondContact O-N 3.3Å; E16-C19 VanDerWaalsContact O-CB 3.31Å; E16-C19 WeakPolarHBondContact O-CB 3.43Å; E16-C19 PolarHBondContact O-N 3.23Å; E17-C19 VanDerWaalsContact C-N 3.3Å; E17-C19 PolarHBondContact O-N 3.27Å; C19-S22 PolarHBondContact O-N 2.88Å; C19-K23 WeakPolarHBondContact O-CG 3.33Å; C19-K23 PolarHBondContact O-N 3.43Å; C19-K23 VanDerWaalsContact SG-CE 3.58Å; C19-K23 PolarHBondContact SG-NZ 3.48Å; C19-K23 VanDerWaalsContact SG-NZ 3.42Å; C19-Y157 WeakPolarHBondContact CB-OH 3.39Å; C19-Y157 PolarHBondContact SG-OH 2.74Å
20T96.4Very high96.2Very high89 Ų8955.3 Ų55.355%0.54627%0.273SS..Hα-helixtrans-65.2-42179.7540000111.5E16 E17 L18 K23 E24E16-T20 PolarHBondContact O-N 3.41Å; E16-T20 VanDerWaalsContact O-N 3.12Å; E17-T20 PolarHBondContact O-N 3.01Å; E17-T20 VanDerWaalsContact O-N 3.12Å; E17-T20 PolarHBondContact O-OG1 2.92Å; L18-T20 VanDerWaalsContact C-N 3.33Å; L18-T20 PolarHBondContact O-N 3.09Å; T20-K23 PolarHBondContact O-N 2.98Å; T20-E24 PolarHBondContact O-N 3.29Å; T20-E24 VanDerWaalsContact O-N 3.09Å
21E96.1Very high96.3Very high31 Ų3154 Ų5415%0.14527%0.269CS..Hα-helixtrans-69.2-38.2178-161.570.3-143.300112.1E17 L18 K23 E24 C25 S105 R108 S109 L112E17-E21 PolarHBondContact O-N 3.36Å; L18-E21 PolarHBondContact O-N 2.94Å; E21-K23 PolarHBondContact O-N 3.49Å; E21-E24 WeakPolarHBondContact O-CB 3.49Å; E21-E24 PolarHBondContact O-N 2.87Å; E21-C25 PolarHBondContact O-N 2.85Å; E21-C25 PolarHBondContact O-SG 3.32Å; E21-S105 WeakPolarHBondContact OE1-CA 3.36Å; E21-S105 WeakPolarHBondContact OE1-CB 3.43Å; E21-S105 PolarHBondContact OE1-OG 2.85Å; E21-R108 HydrophobicContact CG-CB 4.49Å; E21-R108 HydrophobicContact CG-CG 4.31Å; E21-R108 WeakPolarHBondContact OE2-CD 3.4Å; E21-R108 IonicContact OE2-NE 3.86Å; E21-R108 PolarHBondContact OE2-NE 2.77Å; E21-S109 WeakPolarHBondContact CG-OG 3.48Å; E21-L112 HydrophobicContact CB-CD1 4.11Å; E21-L112 HydrophobicContact CG-CD1 4.41Å
22S95.9Very high96.2Very high5 Ų554 Ų544%0.03527%0.269CS..Hα-helixtrans-61.8-42.3175.3178.30000112.1L18 C19 E24 C25 D26 E161L18-S22 WeakPolarHBondContact O-CB 3.26Å; L18-S22 PolarHBondContact O-N 3.47Å; C19-S22 PolarHBondContact O-N 2.88Å; S22-E24 VanDerWaalsContact C-N 3.35Å; S22-C25 WeakPolarHBondContact O-CB 3.37Å; S22-C25 PolarHBondContact O-N 3.41Å; S22-D26 PolarHBondContact O-N 3.06Å; S22-E161 WeakPolarHBondContact CB-OE2 3.41Å; S22-E161 PolarHBondContact OG-OE2 3.4Å
23K96.2Very high96.2Very high140 Ų14055.4 Ų55.461%0.60928%0.276SS*.Hα-helixtrans-65.2-37.6173.2-73.6171.2-178162.80112.6C19 T20 E21 D26 S27C19-K23 WeakPolarHBondContact O-CG 3.33Å; C19-K23 PolarHBondContact O-N 3.43Å; C19-K23 VanDerWaalsContact SG-CE 3.58Å; C19-K23 PolarHBondContact SG-NZ 3.48Å; C19-K23 VanDerWaalsContact SG-NZ 3.42Å; T20-K23 PolarHBondContact O-N 2.98Å; E21-K23 PolarHBondContact O-N 3.49Å; K23-D26 PolarHBondContact O-N 3.27Å; K23-S27 PolarHBondContact O-N 2.95Å
24E95.9Very high96.2Very high82 Ų8254.3 Ų54.338%0.38327%0.273SS..Hα-helixtrans-63.6-43.8174.1-175.959.5-156.300110.6T20 E21 S22 D26 S27 Q28T20-E24 PolarHBondContact O-N 3.29Å; T20-E24 VanDerWaalsContact O-N 3.09Å; E21-E24 WeakPolarHBondContact O-CB 3.49Å; E21-E24 PolarHBondContact O-N 2.87Å; S22-E24 VanDerWaalsContact C-N 3.35Å; E24-D26 PolarHBondContact O-N 2.91Å; E24-S27 PolarHBondContact O-N 3.18Å; E24-Q28 HydrophobicContact CG-CG 4.23Å; E24-Q28 WeakPolarHBondContact O-CB 3.37Å; E24-Q28 VanDerWaalsContact O-CG 3.26Å; E24-Q28 WeakPolarHBondContact O-CG 3.35Å; E24-Q28 PolarHBondContact O-N 3.47Å; E24-Q28 WeakPolarHBondContact OE1-CG 3.47Å; E24-Q28 PolarHBondContact OE1-NE2 2.69Å
25C97.2Very high96.1Very high0 Ų053.8 Ų53.80%027%0.271CS..Hα-helixtrans-56.7-46.2174.1-73.80000112.2E21 S22 S27 Q28 W29 L102 S105 L106 L165E21-C25 PolarHBondContact O-N 2.85Å; E21-C25 PolarHBondContact O-SG 3.32Å; S22-C25 WeakPolarHBondContact O-CB 3.37Å; S22-C25 PolarHBondContact O-N 3.41Å; C25-S27 PolarHBondContact O-N 2.97Å; C25-Q28 PolarHBondContact O-N 3.27Å; C25-W29 VanDerWaalsContact O-CB 3.28Å; C25-W29 WeakPolarHBondContact O-CB 3.29Å; C25-W29 PolarHBondContact O-N 3.12Å; C25-L102 HydrophobicContact CB-CD1 4.45Å; C25-L102 WeakPolarHBondContact O-CD1 3.41Å; C25-S105 VanDerWaalsContact SG-C 3.54Å; C25-S105 PolarHBondContact SG-OG 3.36Å; C25-L106 HydrophobicContact CB-CD2 4.25Å; C25-L165 HydrophobicContact CB-CD2 4.14Å
26D95.5Very high95.9Very high48 Ų4853.8 Ų53.826%0.25727%0.27SS..Hα-helixtrans-63.1-40.3176.917961.1000112.2S22 K23 E24 W29 K30S22-D26 PolarHBondContact O-N 3.06Å; K23-D26 PolarHBondContact O-N 3.27Å; E24-D26 PolarHBondContact O-N 2.91Å; D26-W29 PolarHBondContact O-N 3.43Å; D26-K30 WeakPolarHBondContact O-CG 3.36Å; D26-K30 PolarHBondContact O-N 3.34Å; D26-K30 VanDerWaalsContact O-N 3.08Å; D26-K30 IonicContact OD1-NZ 3.88Å; D26-K30 WeakPolarHBondContact OD2-CE 3.41Å; D26-K30 IonicContact OD2-NZ 2.69Å; D26-K30 PolarHBondContact OD2-NZ 3.41Å
27S96.5Very high95.7Very high66 Ų6650.1 Ų50.146%0.46226%0.264SS..Hα-helixtrans-64.9-46.8176.1-170.60000112.1K23 E24 C25 W29 K30 L31K23-S27 PolarHBondContact O-N 2.95Å; E24-S27 PolarHBondContact O-N 3.18Å; C25-S27 PolarHBondContact O-N 2.97Å; S27-W29 VanDerWaalsContact C-N 3.32Å; S27-W29 PolarHBondContact O-N 3.28Å; S27-K30 PolarHBondContact O-N 3.04Å; S27-L31 PolarHBondContact O-N 3.45Å
28Q96.1Very high95.5Very high35 Ų3551 Ų5116%0.16427%0.268CS..Hα-helixtrans-64.3-36.3177.5-69.6-66.3-2300112E24 C25 T32 L102E24-Q28 HydrophobicContact CG-CG 4.23Å; E24-Q28 WeakPolarHBondContact O-CB 3.37Å; E24-Q28 VanDerWaalsContact O-CG 3.26Å; E24-Q28 WeakPolarHBondContact O-CG 3.35Å; E24-Q28 PolarHBondContact O-N 3.47Å; E24-Q28 WeakPolarHBondContact OE1-CG 3.47Å; E24-Q28 PolarHBondContact OE1-NE2 2.69Å; C25-Q28 PolarHBondContact O-N 3.27Å; Q28-T32 VanDerWaalsContact O-CB 3.26Å; Q28-T32 WeakPolarHBondContact O-CB 3.3Å; Q28-T32 PolarHBondContact O-N 3.5Å; Q28-T32 PolarHBondContact O-OG1 2.86Å; Q28-L102 HydrophobicContact CB-CB 4.14Å; Q28-L102 HydrophobicContact CB-CD1 3.95Å
29W96.5Very high95.2Very high31 Ų3151.8 Ų51.812%0.11727%0.272CS..Hα-helixtrans-61.2-51.3173160.7-115.2000111.9C25 D26 S27 L31 T32 S33 L102 V168 W171 F172 L175C25-W29 VanDerWaalsContact O-CB 3.28Å; C25-W29 WeakPolarHBondContact O-CB 3.29Å; C25-W29 PolarHBondContact O-N 3.12Å; D26-W29 PolarHBondContact O-N 3.43Å; S27-W29 VanDerWaalsContact C-N 3.32Å; S27-W29 PolarHBondContact O-N 3.28Å; W29-L31 VanDerWaalsContact C-N 3.33Å; W29-L31 PolarHBondContact O-N 3.01Å; W29-T32 PolarHBondContact O-N 3.24Å; W29-S33 WeakPolarHBondContact O-CB 3.34Å; W29-S33 PolarHBondContact O-N 3.23Å; W29-L102 HydrophobicContact CB-CD1 4.34Å; W29-L102 HydrophobicContact CB-CD2 4.3Å; W29-L102 HydrophobicContact CE3-CD2 4.32Å; W29-V168 HydrophobicContact CB-CG1 3.78Å; W29-V168 HydrophobicContact CG-CG1 4.18Å; W29-W171 HydrophobicContact CD2-CB 4.42Å; W29-W171 VanDerWaalsContact CH2-C 3.49Å; W29-W171 HydrophobicContact CH2-CB 3.65Å; W29-W171 VanDerWaalsContact CH2-O 3.24Å; W29-W171 WeakPolarHBondContact CH2-O 3.2Å; W29-W171 HydrophobicContact CZ2-CB 3.41Å; W29-W171 VanDerWaalsContact CZ2-CB 3.41Å; W29-W171 HydrophobicContact CZ2-CE3 4.49Å; W29-W171 HydrophobicContact CZ2-CG 4.21Å; W29-W171 HydrophobicContact CZ3-CB 4.26Å; W29-W171 AromaticContact NE1-CE3 3.44Å; W29-F172 HydrophobicContact CE3-CB 4.14Å; W29-F172 HydrophobicContact CE3-CD2 4.26Å; W29-F172 HydrophobicContact CZ3-CB 4.14Å; W29-F172 HydrophobicContact CZ3-CD2 4.18Å; W29-L175 HydrophobicContact CE3-CD2 4.45Å; W29-L175 HydrophobicContact CH2-CB 3.8Å; W29-L175 HydrophobicContact CH2-CD2 3.94Å; W29-L175 HydrophobicContact CH2-CG 4.27Å; W29-L175 HydrophobicContact CZ3-CB 3.79Å; W29-L175 HydrophobicContact CZ3-CD2 3.49Å; W29-L175 VanDerWaalsContact CZ3-CD2 3.49Å; W29-L175 HydrophobicContact CZ3-CG 4.18Å
30K96.5Very high94.9Very high120 Ų12053.5 Ų53.552%0.52228%0.279SS..Hα-helixtrans-57.9-46.3178-74167.5179.3162.30111.6D26 S27 S33 E34D26-K30 WeakPolarHBondContact O-CG 3.36Å; D26-K30 PolarHBondContact O-N 3.34Å; D26-K30 VanDerWaalsContact O-N 3.08Å; D26-K30 IonicContact OD1-NZ 3.88Å; D26-K30 WeakPolarHBondContact OD2-CE 3.41Å; D26-K30 IonicContact OD2-NZ 2.69Å; D26-K30 PolarHBondContact OD2-NZ 3.41Å; S27-K30 PolarHBondContact O-N 3.04Å; K30-S33 PolarHBondContact O-N 3.1Å; K30-E34 WeakPolarHBondContact O-CB 3.4Å; K30-E34 PolarHBondContact O-N 3.25Å
31L96.5Very high94.6Very high78 Ų7851.3 Ų51.341%0.40827%0.274SS..Hα-helixtrans-60.5-46.7176.5179.862.8000111.7S27 W29 S33 E34 I35S27-L31 PolarHBondContact O-N 3.45Å; W29-L31 VanDerWaalsContact C-N 3.33Å; W29-L31 PolarHBondContact O-N 3.01Å; L31-S33 PolarHBondContact O-N 3.26Å; L31-E34 PolarHBondContact O-N 2.86Å; L31-I35 HydrophobicContact CD1-CD1 3.84Å; L31-I35 HydrophobicContact CD1-CG1 4.16Å; L31-I35 HydrophobicContact CD2-CD1 4.48Å; L31-I35 HydrophobicContact CG-CD1 3.78Å; L31-I35 HydrophobicContact CG-CG1 4.45Å; L31-I35 VanDerWaalsContact O-CG1 3.26Å; L31-I35 WeakPolarHBondContact O-CG1 3.43Å; L31-I35 PolarHBondContact O-N 3.44Å
32T95.3Very high94.4Very high0 Ų054.7 Ų54.70%029%0.286CS..Hα-helixtrans-62.3-43.8-179.8-58.70000111.5Q28 W29 I35 Q36 L95 S98 R99 F172 L175Q28-T32 VanDerWaalsContact O-CB 3.26Å; Q28-T32 WeakPolarHBondContact O-CB 3.3Å; Q28-T32 PolarHBondContact O-N 3.5Å; Q28-T32 PolarHBondContact O-OG1 2.86Å; W29-T32 PolarHBondContact O-N 3.24Å; T32-I35 PolarHBondContact O-N 3.46Å; T32-Q36 WeakPolarHBondContact O-CB 3.47Å; T32-Q36 PolarHBondContact O-N 3.43Å; T32-L95 HydrophobicContact CG2-CD1 4.05Å; T32-S98 WeakPolarHBondContact CA-OG 3.2Å; T32-S98 PolarHBondContact OG1-OG 3.06Å; T32-R99 HydrophobicContact CG2-CG 3.67Å; T32-F172 HydrophobicContact CG2-CE2 4.07Å; T32-L175 HydrophobicContact CG2-CD2 4.34Å
33S94.7Very high94Very high43 Ų4356.9 Ų56.930%0.30130%0.296SS..Hα-helixtrans-61.8-44.1177-1760000111.7W29 K30 L31 Q36 A37W29-S33 WeakPolarHBondContact O-CB 3.34Å; W29-S33 PolarHBondContact O-N 3.23Å; K30-S33 PolarHBondContact O-N 3.1Å; L31-S33 PolarHBondContact O-N 3.26Å; S33-Q36 PolarHBondContact O-N 3.42Å; S33-A37 PolarHBondContact O-N 3.28Å
34E96Very high93.8Very high113 Ų11351.7 Ų51.753%0.52828%0.283SS..Hα-helixtrans-63.7-47.6177.1-168-172.2162.100112.1K30 L31 Q36 A37 Q38K30-E34 WeakPolarHBondContact O-CB 3.4Å; K30-E34 PolarHBondContact O-N 3.25Å; L31-E34 PolarHBondContact O-N 2.86Å; E34-Q36 VanDerWaalsContact C-N 3.26Å; E34-Q36 PolarHBondContact O-N 3.26Å; E34-A37 PolarHBondContact O-N 2.95Å; E34-Q38 WeakPolarHBondContact O-CG 3.46Å; E34-Q38 PolarHBondContact O-N 2.9Å; E34-Q38 PolarHBondContact OE1-NE2 2.94Å
35I94.1Very high93.5Very high17 Ų1750.6 Ų50.69%0.08728%0.282CS..Hα-helixtrans-61.6-38.5178-63.7168.4000110.3L31 T32 Q38 F39 I91 K94 L95L31-I35 HydrophobicContact CD1-CD1 3.84Å; L31-I35 HydrophobicContact CD1-CG1 4.16Å; L31-I35 HydrophobicContact CD2-CD1 4.48Å; L31-I35 HydrophobicContact CG-CD1 3.78Å; L31-I35 HydrophobicContact CG-CG1 4.45Å; L31-I35 VanDerWaalsContact O-CG1 3.26Å; L31-I35 WeakPolarHBondContact O-CG1 3.43Å; L31-I35 PolarHBondContact O-N 3.44Å; T32-I35 PolarHBondContact O-N 3.46Å; I35-Q38 PolarHBondContact O-N 3.16Å; I35-F39 WeakPolarHBondContact O-CB 3.43Å; I35-F39 PolarHBondContact O-N 3.47Å; I35-I91 HydrophobicContact CG2-CG2 3.86Å; I35-K94 HydrophobicContact CD1-CB 4.45Å; I35-K94 HydrophobicContact CG2-CB 4.33Å; I35-L95 HydrophobicContact CB-CD1 4.31Å; I35-L95 HydrophobicContact CG2-CB 3.72Å; I35-L95 HydrophobicContact CG2-CD1 4.13Å; I35-L95 HydrophobicContact CG2-CG 4.48Å
36Q91.7Very high93.2Very high5 Ų551 Ų512%0.02328%0.284CS..Hα-helixtrans-65.4-42.7177-174.7158.9-33.400112T32 S33 E34 Q38 F39 I40 L95 L175T32-Q36 WeakPolarHBondContact O-CB 3.47Å; T32-Q36 PolarHBondContact O-N 3.43Å; S33-Q36 PolarHBondContact O-N 3.42Å; E34-Q36 VanDerWaalsContact C-N 3.26Å; E34-Q36 PolarHBondContact O-N 3.26Å; Q36-Q38 VanDerWaalsContact C-N 3.34Å; Q36-Q38 PolarHBondContact O-N 3.39Å; Q36-F39 WeakPolarHBondContact O-CB 3.35Å; Q36-F39 PolarHBondContact O-N 3.22Å; Q36-I40 HydrophobicContact CG-CD1 4.08Å; Q36-I40 WeakPolarHBondContact O-CG1 3.49Å; Q36-I40 PolarHBondContact O-N 3.25Å; Q36-L95 HydrophobicContact CB-CD1 3.84Å; Q36-L95 HydrophobicContact CB-CD2 4.23Å; Q36-L95 HydrophobicContact CG-CD2 4.3Å; Q36-L175 HydrophobicContact CB-CD2 4.35Å; Q36-L175 HydrophobicContact CG-CD1 4.3Å; Q36-L175 HydrophobicContact CG-CG 4.5Å; Q36-L175 PolarHBondContact NE2-O 2.92Å
37A92.5Very high93Very high62 Ų6255.9 Ų55.951%0.51231%0.305SS..Hα-helixtrans-61-43.4174.500000111.7S33 E34 F39 I40 G41S33-A37 PolarHBondContact O-N 3.28Å; E34-A37 PolarHBondContact O-N 2.95Å; A37-F39 VanDerWaalsContact C-N 3.31Å; A37-F39 PolarHBondContact O-N 2.96Å; A37-I40 PolarHBondContact O-N 3.19Å; A37-G41 PolarHBondContact O-N 3.37Å
38Q93Very high92.9Very high90 Ų9056.5 Ų56.542%0.42131%0.31SS..Hα-helixtrans-60.5-41174.4-68.6177.424.800111.8E34 I35 Q36 G41 R42 I91E34-Q38 WeakPolarHBondContact O-CG 3.46Å; E34-Q38 PolarHBondContact O-N 2.9Å; E34-Q38 PolarHBondContact OE1-NE2 2.94Å; I35-Q38 PolarHBondContact O-N 3.16Å; Q36-Q38 VanDerWaalsContact C-N 3.34Å; Q36-Q38 PolarHBondContact O-N 3.39Å; Q38-G41 PolarHBondContact O-N 2.92Å; Q38-R42 PolarHBondContact O-N 2.91Å; Q38-R42 VanDerWaalsContact O-N 3.09Å; Q38-I91 HydrophobicContact CB-CG2 4.36Å
39F90.9Very high92.7Very high17 Ų1756.5 Ų56.58%0.07531%0.311CS..Hα-helixtrans-64.8-46.7177.9-175.8-122.7000112.1I35 Q36 A37 G41 R42 L43 A88 I91 Y92 L95 L182I35-F39 WeakPolarHBondContact O-CB 3.43Å; I35-F39 PolarHBondContact O-N 3.47Å; Q36-F39 WeakPolarHBondContact O-CB 3.35Å; Q36-F39 PolarHBondContact O-N 3.22Å; A37-F39 VanDerWaalsContact C-N 3.31Å; A37-F39 PolarHBondContact O-N 2.96Å; F39-G41 VanDerWaalsContact C-N 3.3Å; F39-G41 PolarHBondContact O-N 3.29Å; F39-R42 PolarHBondContact O-N 3.4Å; F39-R42 VanDerWaalsContact O-N 3.14Å; F39-L43 HydrophobicContact CD1-CD1 4.14Å; F39-L43 HydrophobicContact CE1-CD1 3.76Å; F39-L43 HydrophobicContact CE1-CG 4.35Å; F39-L43 HydrophobicContact CE2-CD2 4.42Å; F39-L43 HydrophobicContact CE2-CG 4.4Å; F39-L43 HydrophobicContact CZ-CD1 4.03Å; F39-L43 HydrophobicContact CZ-CD2 4.19Å; F39-L43 HydrophobicContact CZ-CG 4.21Å; F39-L43 PolarHBondContact O-N 2.95Å; F39-A88 HydrophobicContact CE2-CB 4.11Å; F39-A88 WeakPolarHBondContact CE2-O 3.47Å; F39-I91 HydrophobicContact CB-CG2 3.84Å; F39-I91 HydrophobicContact CD2-CB 4.43Å; F39-I91 HydrophobicContact CD2-CG2 4.36Å; F39-Y92 AromaticContact CE1-CD2 3.88Å; F39-Y92 HydrophobicContact CE1-CD2 3.88Å; F39-Y92 HydrophobicContact CE2-CD2 4.3Å; F39-Y92 HydrophobicContact CE2-CG 4.4Å; F39-Y92 AromaticContact CZ-CD2 3.73Å; F39-Y92 HydrophobicContact CZ-CD2 3.73Å; F39-Y92 HydrophobicContact CZ-CG 4.21Å; F39-L95 HydrophobicContact CB-CD2 4.37Å; F39-L95 HydrophobicContact CD1-CD2 4.09Å; F39-L95 HydrophobicContact CG-CD2 4.44Å; F39-L182 HydrophobicContact CD1-CD1 4.03Å; F39-L182 HydrophobicContact CD1-CD2 3.94Å; F39-L182 HydrophobicContact CE1-CD1 4.08Å; F39-L182 HydrophobicContact CE1-CD2 3.73Å; F39-L182 HydrophobicContact CE1-CG 4.41Å
40I89.4Confident92.5Very high52 Ų5262 Ų6227%0.26733%0.332SS..Hα-helixtrans-58.8-43.2175.8-67.9167.5000110.5Q36 A37 R42 L43 G44 L182Q36-I40 HydrophobicContact CG-CD1 4.08Å; Q36-I40 WeakPolarHBondContact O-CG1 3.49Å; Q36-I40 PolarHBondContact O-N 3.25Å; A37-I40 PolarHBondContact O-N 3.19Å; I40-R42 VanDerWaalsContact C-N 3.33Å; I40-R42 PolarHBondContact O-N 2.91Å; I40-L43 WeakPolarHBondContact O-CB 3.44Å; I40-L43 PolarHBondContact O-N 2.55Å; I40-L43 VanDerWaalsContact O-N 3.16Å; I40-G44 PolarHBondContact O-N 2.89Å; I40-L182 HydrophobicContact CG1-CD2 4.47Å
41G90.8Very high92.2Very high43 Ų4358.4 Ų58.444%0.44333%0.328SS..Hα-helixtrans-57.1-43.417500000113A37 Q38 F39 G44 T45A37-G41 PolarHBondContact O-N 3.37Å; Q38-G41 PolarHBondContact O-N 2.92Å; F39-G41 VanDerWaalsContact C-N 3.3Å; F39-G41 PolarHBondContact O-N 3.29Å; G41-G44 PolarHBondContact O-N 3.25Å; G41-T45 PolarHBondContact O-N 3.49Å; G41-T45 VanDerWaalsContact O-N 3.08Å; G41-T45 PolarHBondContact O-OG1 2.93Å
42R90.3Very high92Very high102 Ų10257.6 Ų57.639%0.38532%0.324SS..Hα-helixtrans-66.6-36.9175.6-66.8-53-178.4-167.6-2.2113.1Q38 F39 I40 G44 T45 I46 A88 I91Q38-R42 PolarHBondContact O-N 2.91Å; Q38-R42 VanDerWaalsContact O-N 3.09Å; F39-R42 PolarHBondContact O-N 3.4Å; F39-R42 VanDerWaalsContact O-N 3.14Å; I40-R42 VanDerWaalsContact C-N 3.33Å; I40-R42 PolarHBondContact O-N 2.91Å; R42-G44 VanDerWaalsContact C-N 3.3Å; R42-T45 PolarHBondContact O-N 3.08Å; R42-I46 WeakPolarHBondContact O-CG1 3.35Å; R42-I46 PolarHBondContact O-N 3.48Å; R42-A88 HydrophobicContact CB-CB 4.07Å; R42-I91 HydrophobicContact CG-CD1 3.7Å
43L89.2Confident91.7Very high50 Ų5059 Ų5926%0.26233%0.331SS..Hα-helixtrans-62.8-39.8173.8-69.5177.6000111.4F39 I40 I46 Q47 L182F39-L43 HydrophobicContact CD1-CD1 4.14Å; F39-L43 HydrophobicContact CE1-CD1 3.76Å; F39-L43 HydrophobicContact CE1-CG 4.35Å; F39-L43 HydrophobicContact CE2-CD2 4.42Å; F39-L43 HydrophobicContact CE2-CG 4.4Å; F39-L43 HydrophobicContact CZ-CD1 4.03Å; F39-L43 HydrophobicContact CZ-CD2 4.19Å; F39-L43 HydrophobicContact CZ-CG 4.21Å; F39-L43 PolarHBondContact O-N 2.95Å; I40-L43 WeakPolarHBondContact O-CB 3.44Å; I40-L43 PolarHBondContact O-N 2.55Å; I40-L43 VanDerWaalsContact O-N 3.16Å; L43-I46 HydrophobicContact CD2-CD1 4.44Å; L43-I46 PolarHBondContact O-N 3.45Å; L43-Q47 WeakPolarHBondContact O-CB 3.47Å; L43-Q47 PolarHBondContact O-N 2.96Å; L43-L182 HydrophobicContact CD1-CD2 3.41Å; L43-L182 VanDerWaalsContact CD1-CD2 3.41Å
44G90.4Very high91.5Very high32 Ų3259.4 Ų59.433%0.3334%0.337SS..Hα-helixtrans-57.1-48.9171.200000112.1I40 G41 R42 I46 Q47 S48I40-G44 PolarHBondContact O-N 2.89Å; G41-G44 PolarHBondContact O-N 3.25Å; R42-G44 VanDerWaalsContact C-N 3.3Å; G44-I46 VanDerWaalsContact C-N 3.34Å; G44-I46 PolarHBondContact O-N 3.47Å; G44-Q47 PolarHBondContact O-N 3.13Å; G44-Q47 VanDerWaalsContact O-N 3.16Å; G44-S48 PolarHBondContact O-N 2.72Å; G44-S48 PolarHBondContact O-OG 3.38Å
45T91.2Very high91.1Very high59 Ų5959.3 Ų59.336%0.36234%0.336SS..Hα-helixtrans-58.8-43.8175.8-47.70000112.3G41 R42 Q47 S48 L49G41-T45 PolarHBondContact O-N 3.49Å; G41-T45 VanDerWaalsContact O-N 3.08Å; G41-T45 PolarHBondContact O-OG1 2.93Å; R42-T45 PolarHBondContact O-N 3.08Å; T45-Q47 VanDerWaalsContact C-N 3.32Å; T45-Q47 PolarHBondContact O-N 2.73Å; T45-S48 PolarHBondContact O-N 2.93Å; T45-L49 HydrophobicContact CG2-CD1 4.17Å; T45-L49 WeakPolarHBondContact O-CB 3.48Å; T45-L49 WeakPolarHBondContact O-CG 3.41Å; T45-L49 PolarHBondContact O-N 3.4Å
46I90.7Very high90.6Very high9 Ų961.6 Ų61.65%0.04635%0.346CS..Hα-helixtrans-61.4-42.4177.2-72.2163.2000110.6R42 L43 G44 L49 R50 L81 A84 N85 A88R42-I46 WeakPolarHBondContact O-CG1 3.35Å; R42-I46 PolarHBondContact O-N 3.48Å; L43-I46 HydrophobicContact CD2-CD1 4.44Å; L43-I46 PolarHBondContact O-N 3.45Å; G44-I46 VanDerWaalsContact C-N 3.34Å; G44-I46 PolarHBondContact O-N 3.47Å; I46-L49 PolarHBondContact O-N 3.11Å; I46-R50 WeakPolarHBondContact O-CB 3.48Å; I46-R50 WeakPolarHBondContact O-CG 3.06Å; I46-R50 PolarHBondContact O-N 2.85Å; I46-L81 HydrophobicContact CB-CD1 4.48Å; I46-L81 HydrophobicContact CG2-CD1 3.91Å; I46-A84 HydrophobicContact CG1-CB 3.79Å; I46-N85 WeakPolarHBondContact CD1-OD1 3.37Å; I46-A88 HydrophobicContact CD1-CB 3.65Å
47Q91Very high90.3Very high149 Ų14965.7 Ų65.770%0.69637%0.365SS*.Hα-helixtrans-65.1-44.3178.4-172173.2-4.800111.5L43 G44 T45 R50 G51L43-Q47 WeakPolarHBondContact O-CB 3.47Å; L43-Q47 PolarHBondContact O-N 2.96Å; G44-Q47 PolarHBondContact O-N 3.13Å; G44-Q47 VanDerWaalsContact O-N 3.16Å; T45-Q47 VanDerWaalsContact C-N 3.32Å; T45-Q47 PolarHBondContact O-N 2.73Å; Q47-R50 PolarHBondContact O-N 2.99Å; Q47-G51 PolarHBondContact O-N 3.16Å
48S93.1Very high89.8Confident79 Ų7969.6 Ų69.655%0.55237%0.373SS*.Hα-helixtrans-59.4-47.5173.8-60.40000111.6G44 T45 R50 G51 L52G44-S48 PolarHBondContact O-N 2.72Å; G44-S48 PolarHBondContact O-OG 3.38Å; T45-S48 PolarHBondContact O-N 2.93Å; S48-R50 VanDerWaalsContact C-N 3.33Å; S48-R50 PolarHBondContact O-N 3.28Å; S48-G51 PolarHBondContact O-N 3.46Å; S48-L52 WeakPolarHBondContact O-CB 3.46Å; S48-L52 PolarHBondContact O-N 3.31Å
49L92.4Very high89Confident35 Ų3568.8 Ų68.818%0.18337%0.369CS..Hα-helixtrans-62-38.1177.6-73.4171.8000112.4T45 I46 L52 L53 I77 A80 L81 A84T45-L49 HydrophobicContact CG2-CD1 4.17Å; T45-L49 WeakPolarHBondContact O-CB 3.48Å; T45-L49 WeakPolarHBondContact O-CG 3.41Å; T45-L49 PolarHBondContact O-N 3.4Å; I46-L49 PolarHBondContact O-N 3.11Å; L49-L52 PolarHBondContact O-N 3.4Å; L49-L53 VanDerWaalsContact O-CB 3.29Å; L49-L53 WeakPolarHBondContact O-CB 3.26Å; L49-L53 PolarHBondContact O-N 3.14Å; L49-I77 HydrophobicContact CD2-CG2 4.43Å; L49-A80 HydrophobicContact CD1-CB 4.3Å; L49-A80 HydrophobicContact CD2-CB 4.28Å; L49-L81 HydrophobicContact CB-CD1 3.96Å; L49-A84 HydrophobicContact CD1-CB 4.02Å
50R91.8Very high88Confident148 Ų14870.4 Ų70.456%0.55838%0.382SS*.Hα-helixtrans-65.8-42.6174.5-77.7179.6176.1178.30.8112.2I46 Q47 S48 L52 L53 A54 L81I46-R50 WeakPolarHBondContact O-CB 3.48Å; I46-R50 WeakPolarHBondContact O-CG 3.06Å; I46-R50 PolarHBondContact O-N 2.85Å; Q47-R50 PolarHBondContact O-N 2.99Å; S48-R50 VanDerWaalsContact C-N 3.33Å; S48-R50 PolarHBondContact O-N 3.28Å; R50-L52 VanDerWaalsContact C-N 3.35Å; R50-L53 PolarHBondContact O-N 2.94Å; R50-A54 WeakPolarHBondContact O-CB 3.27Å; R50-A54 PolarHBondContact O-N 2.97Å; R50-L81 HydrophobicContact CG-CD1 3.9Å; R50-L81 HydrophobicContact CG-CD2 4.08Å
51G91.8Very high87Confident43 Ų4376.7 Ų76.744%0.44341%0.408SS..Hα-helixtrans-60.5-46174.700000111.6Q47 S48 L53 A54 Q55Q47-G51 PolarHBondContact O-N 3.16Å; S48-G51 PolarHBondContact O-N 3.46Å; G51-L53 PolarHBondContact O-N 3.19Å; G51-A54 PolarHBondContact O-N 3.37Å; G51-Q55 PolarHBondContact O-N 3.22Å
52L91Very high85.7Confident61 Ų6179.2 Ų79.232%0.31942%0.418SS..Hα-helixtrans-65-39178.8-139.2142.9000111.9S48 L49 R50 K56 I77S48-L52 WeakPolarHBondContact O-CB 3.46Å; S48-L52 PolarHBondContact O-N 3.31Å; L49-L52 PolarHBondContact O-N 3.4Å; R50-L52 VanDerWaalsContact C-N 3.35Å; L52-K56 HydrophobicContact CD2-CG 4.22Å; L52-K56 WeakPolarHBondContact O-CB 3.39Å; L52-K56 VanDerWaalsContact O-CG 3.3Å; L52-K56 WeakPolarHBondContact O-CG 3.48Å; L52-K56 PolarHBondContact O-N 3.36Å; L52-I77 HydrophobicContact CD2-CD1 3.62Å; L52-I77 HydrophobicContact CD2-CG1 4.39Å
53L90Very high84.1Confident31 Ų3178.9 Ų78.916%0.16242%0.424CS..Hα-helixtrans-63.3-45.2173.7-170.8120.6000111.5L49 R50 G51 K56 Q57 I77L49-L53 VanDerWaalsContact O-CB 3.29Å; L49-L53 WeakPolarHBondContact O-CB 3.26Å; L49-L53 PolarHBondContact O-N 3.14Å; R50-L53 PolarHBondContact O-N 2.94Å; G51-L53 PolarHBondContact O-N 3.19Å; L53-K56 PolarHBondContact O-N 2.95Å; L53-Q57 WeakPolarHBondContact O-CB 3.4Å; L53-Q57 VanDerWaalsContact O-CG 3.26Å; L53-Q57 WeakPolarHBondContact O-CG 3.4Å; L53-Q57 PolarHBondContact O-N 2.9Å; L53-I77 HydrophobicContact CB-CG2 3.82Å; L53-I77 HydrophobicContact CD1-CB 4.25Å; L53-I77 HydrophobicContact CD1-CG2 3.79Å; L53-I77 HydrophobicContact CG-CG2 4.38Å
54A89.6Confident82.5Confident51 Ų5181.6 Ų81.642%0.42145%0.454SS..Hα-helixtrans-61.8-46.5177.600000111.5R50 G51 K56 Q57 E58R50-A54 WeakPolarHBondContact O-CB 3.27Å; R50-A54 PolarHBondContact O-N 2.97Å; G51-A54 PolarHBondContact O-N 3.37Å; A54-K56 PolarHBondContact O-N 3.41Å; A54-Q57 PolarHBondContact O-N 2.96Å; A54-E58 PolarHBondContact O-N 3.49Å
55Q88.1Confident80.5Confident110 Ų11084.7 Ų84.751%0.51447%0.47SS..Hα-helixtrans-59.6-47.4177.2-172.9-178.613.400111.8G51 Q57 E58 E59G51-Q55 PolarHBondContact O-N 3.22Å; Q55-Q57 VanDerWaalsContact C-N 3.34Å; Q55-Q57 PolarHBondContact O-N 3.42Å; Q55-E58 PolarHBondContact O-N 3.38Å; Q55-E59 WeakPolarHBondContact O-CG 3.46Å; Q55-E59 PolarHBondContact O-N 3.2Å
56K84.5Confident78.8Confident65 Ų6591.8 Ų91.828%0.28349%0.49SS..Hα-helixtrans-68.5-31.2179.1-69-69.9164.1-149.90113L52 L53 A54 E59 S60 L74 I77L52-K56 HydrophobicContact CD2-CG 4.22Å; L52-K56 WeakPolarHBondContact O-CB 3.39Å; L52-K56 VanDerWaalsContact O-CG 3.3Å; L52-K56 WeakPolarHBondContact O-CG 3.48Å; L52-K56 PolarHBondContact O-N 3.36Å; L53-K56 PolarHBondContact O-N 2.95Å; A54-K56 PolarHBondContact O-N 3.41Å; K56-E59 WeakPolarHBondContact CD-OE2 3.4Å; K56-E59 VanDerWaalsContact NZ-CD 3.32Å; K56-E59 IonicContact NZ-OE1 3.74Å; K56-E59 PolarHBondContact NZ-OE1 3.2Å; K56-E59 VanDerWaalsContact NZ-OE1 3.12Å; K56-E59 IonicContact NZ-OE2 2.8Å; K56-E59 PolarHBondContact NZ-OE2 2.9Å; K56-S60 WeakPolarHBondContact O-CB 3.5Å; K56-S60 PolarHBondContact O-N 2.73Å; K56-L74 HydrophobicContact CB-CD2 3.67Å; K56-I77 HydrophobicContact CB-CD1 4.39Å; K56-I77 HydrophobicContact CG-CD1 3.97Å
57Q84.6Confident77.4Confident92 Ų9296.6 Ų96.643%0.4352%0.516SS..Hα-helixtrans-68-36.4171.7-78.1179.8-19.700111.6L53 A54 Q55 S60 K61 L74L53-Q57 WeakPolarHBondContact O-CB 3.4Å; L53-Q57 VanDerWaalsContact O-CG 3.26Å; L53-Q57 WeakPolarHBondContact O-CG 3.4Å; L53-Q57 PolarHBondContact O-N 2.9Å; A54-Q57 PolarHBondContact O-N 2.96Å; Q55-Q57 VanDerWaalsContact C-N 3.34Å; Q55-Q57 PolarHBondContact O-N 3.42Å; Q57-S60 PolarHBondContact O-N 3.2Å; Q57-S60 PolarHBondContact O-OG 3.38Å; Q57-K61 PolarHBondContact O-N 3.09Å; Q57-L74 HydrophobicContact CG-CD1 4.5Å; Q57-L74 HydrophobicContact CG-CD2 3.79Å
58E81.8Confident76.1Confident144 Ų14496.1 Ų96.167%0.67352%0.519SS*.Hα-helixtrans-70.6-41.9177.1-150157.3-146.500111.6A54 Q55 S60 K61 S62A54-E58 PolarHBondContact O-N 3.49Å; Q55-E58 PolarHBondContact O-N 3.38Å; E58-S60 PolarHBondContact O-N 3.41Å; E58-K61 PolarHBondContact O-N 3.35Å; E58-K61 VanDerWaalsContact O-N 3.09Å; E58-S62 PolarHBondContact O-N 3.1Å
59E77.3Confident74.9Confident72 Ų7294.7 Ų94.734%0.33652%0.516SS..Hα-helixtrans-61.4-25.5170.1-72.3176.7-161.900113.6Q55 K56 K61 S62Q55-E59 WeakPolarHBondContact O-CG 3.46Å; Q55-E59 PolarHBondContact O-N 3.2Å; K56-E59 WeakPolarHBondContact CD-OE2 3.4Å; K56-E59 VanDerWaalsContact NZ-CD 3.32Å; K56-E59 IonicContact NZ-OE1 3.74Å; K56-E59 PolarHBondContact NZ-OE1 3.2Å; K56-E59 VanDerWaalsContact NZ-OE1 3.12Å; K56-E59 IonicContact NZ-OE2 2.8Å; K56-E59 PolarHBondContact NZ-OE2 2.9Å; E59-K61 VanDerWaalsContact C-N 3.34Å; E59-S62 PolarHBondContact O-OG 3.48Å
60S69.5Low73.8Confident51 Ų5196 Ų9636%0.35752%0.52SS..Hα-helixtrans-74.6-25.9175.8800000112.6K56 Q57 E58K56-S60 WeakPolarHBondContact O-CB 3.5Å; K56-S60 PolarHBondContact O-N 2.73Å; Q57-S60 PolarHBondContact O-N 3.2Å; Q57-S60 PolarHBondContact O-OG 3.38Å; E58-S60 PolarHBondContact O-N 3.41Å
61K69.1Low73.1Confident185 Ų18593.6 Ų93.680%0.80452%0.516SS*.Hα-helixtrans-79.7-24.4177.9-68.7176.8-178.7173.80112.9Q57 E58 E59Q57-K61 PolarHBondContact O-N 3.09Å; E58-K61 PolarHBondContact O-N 3.35Å; E58-K61 VanDerWaalsContact O-N 3.09Å; E59-K61 VanDerWaalsContact C-N 3.34Å
62S63.4Low72.6Confident95 Ų9595.7 Ų95.766%0.66452%0.517SS*.Hα-helixtrans-91.8-15.2-173.452.20000114.9E58 E59E58-S62 PolarHBondContact O-N 3.1Å; E59-S62 PolarHBondContact O-OG 3.48Å
63D55.6Low72.3Confident95 Ų9596.7 Ų96.751%0.50852%0.521SS..  trans-14699.4-172-147.2-2.9000112.9S65 K70D63-S65 PolarHBondContact O-N 2.83Å; D63-K70 PolarHBondContact O-NZ 2.91Å
64A56.1Low72.1Confident107 Ų10796.9 Ų96.988%0.88452%0.522SS*.  trans-82.96.1-168.100000115.6
65S48.6Very low72Confident97 Ų9799.6 Ų99.668%0.67853%0.526SS*.SBendtrans-100.51.4-163.169.20000117.6D63D63-S65 PolarHBondContact O-N 2.83Å
66R54.5Low72.1Confident208 Ų208100 Ų10079%0.78553%0.528SS*.  trans-15292.5169.6-80.9-172.5166.8172-5.2111.4
67D61Low72.4Confident110 Ų11097.7 Ų97.759%0.58852%0.519SS*.Hα-helixtrans-81.4-42.2-168.6-153.83.2000113.6G69 K70 Q71D67-G69 PolarHBondContact O-N 3.22Å; D67-K70 PolarHBondContact O-N 2.74Å; D67-Q71 WeakPolarHBondContact O-CG 3.49Å; D67-Q71 PolarHBondContact O-N 3.31Å; D67-Q71 PolarHBondContact OD1-NE2 3.05Å
68D64Low72.7Confident140 Ų14095.7 Ų95.775%0.74952%0.515SS*.Hα-helixtrans-65-45.6-172.3-106.2-3.3000114.2K70 N72D68-K70 PolarHBondContact O-N 2.98Å; D68-N72 PolarHBondContact O-N 3.11Å; D68-N72 VanDerWaalsContact O-N 3.16Å
69G69.4Low73.3Confident48 Ų4895 Ų9550%0.49551%0.51SS..Hα-helixtrans-68.5-34.6-178.900000113.1D67 I73D67-G69 PolarHBondContact O-N 3.22Å; G69-I73 WeakPolarHBondContact O-CG1 3.28Å; G69-I73 PolarHBondContact O-N 2.94Å
70K69.4Low74Confident63 Ų6393.6 Ų93.627%0.27451%0.51SS..Hα-helixtrans-74.2-40.4178.8-70.5-175.5177.9-172.60111.8D63 D67 D68 N72 I73 L74D63-K70 PolarHBondContact O-NZ 2.91Å; D67-K70 PolarHBondContact O-N 2.74Å; D68-K70 PolarHBondContact O-N 2.98Å; K70-N72 VanDerWaalsContact C-N 3.29Å; K70-N72 PolarHBondContact O-N 2.69Å; K70-I73 PolarHBondContact O-N 3.44Å; K70-L74 PolarHBondContact O-N 2.97Å
71Q75.2Confident75.1Confident98 Ų9892.1 Ų92.146%0.45850%0.498SS..Hα-helixtrans-62.1-37.7174-77.3-176.41300112.1D67 L74 Q75D67-Q71 WeakPolarHBondContact O-CG 3.49Å; D67-Q71 PolarHBondContact O-N 3.31Å; D67-Q71 PolarHBondContact OD1-NE2 3.05Å; Q71-L74 PolarHBondContact O-N 3.06Å; Q71-Q75 PolarHBondContact O-N 3.45Å
72N83.2Confident76.2Confident87 Ų8787.4 Ų87.447%0.46548%0.482SS..Hα-helixtrans-65.5-42.7178.2-153.418.3000111.8D68 K70 L74 Q75 E76D68-N72 PolarHBondContact O-N 3.11Å; D68-N72 VanDerWaalsContact O-N 3.16Å; K70-N72 VanDerWaalsContact C-N 3.29Å; K70-N72 PolarHBondContact O-N 2.69Å; N72-L74 PolarHBondContact O-N 2.89Å; N72-Q75 PolarHBondContact O-N 2.68Å; N72-E76 WeakPolarHBondContact O-CG 3.46Å; N72-E76 PolarHBondContact O-N 2.84Å
73I83.7Confident77.6Confident81 Ų8185.7 Ų85.742%0.41547%0.47SS..Hα-helixtrans-61.9-44.4174.9-66.6166.4000111.2G69 K70 Q75 E76 I77G69-I73 WeakPolarHBondContact O-CG1 3.28Å; G69-I73 PolarHBondContact O-N 2.94Å; K70-I73 PolarHBondContact O-N 3.44Å; I73-Q75 VanDerWaalsContact C-N 3.33Å; I73-Q75 PolarHBondContact O-N 3.46Å; I73-E76 PolarHBondContact O-N 3.18Å; I73-I77 HydrophobicContact CG2-CD1 3.88Å; I73-I77 HydrophobicContact CG2-CG1 4.46Å; I73-I77 WeakPolarHBondContact O-CG1 3.49Å; I73-I77 PolarHBondContact O-N 3.5Å
74L85.9Confident79.3Confident35 Ų3581.6 Ų81.618%0.18345%0.449CS..Hα-helixtrans-62-40.2176.1-75.1173000112K56 Q57 K70 Q71 N72 S78K56-L74 HydrophobicContact CB-CD2 3.67Å; Q57-L74 HydrophobicContact CG-CD1 4.5Å; Q57-L74 HydrophobicContact CG-CD2 3.79Å; K70-L74 PolarHBondContact O-N 2.97Å; Q71-L74 PolarHBondContact O-N 3.06Å; N72-L74 PolarHBondContact O-N 2.89Å; L74-S78 WeakPolarHBondContact O-CB 3.5Å; L74-S78 PolarHBondContact O-N 2.84Å
75Q87.8Confident80.9Confident109 Ų10979.3 Ų79.351%0.50942%0.422SS..Hα-helixtrans-64.2-41.1173.7-89.2-168.94.400112.5Q71 N72 I73 S78 K79Q71-Q75 PolarHBondContact O-N 3.45Å; N72-Q75 PolarHBondContact O-N 2.68Å; I73-Q75 VanDerWaalsContact C-N 3.33Å; I73-Q75 PolarHBondContact O-N 3.46Å; Q75-S78 PolarHBondContact O-N 3.32Å; Q75-K79 WeakPolarHBondContact O-CB 3.2Å; Q75-K79 WeakPolarHBondContact O-CG 3.49Å; Q75-K79 PolarHBondContact O-N 3.47Å
76E90.3Very high83Confident117 Ų11782.2 Ų82.255%0.54742%0.422SS..Hα-helixtrans-64.1-45.4177.5-76.4-177.517300111.8N72 I73 S78 K79 A80N72-E76 WeakPolarHBondContact O-CG 3.46Å; N72-E76 PolarHBondContact O-N 2.84Å; I73-E76 PolarHBondContact O-N 3.18Å; E76-S78 VanDerWaalsContact C-N 3.32Å; E76-S78 PolarHBondContact O-N 3Å; E76-K79 PolarHBondContact O-N 2.87Å; E76-A80 WeakPolarHBondContact O-CB 3.46Å; E76-A80 PolarHBondContact O-N 3.43Å
77I90Very high84.8Confident17 Ų1776.2 Ų76.29%0.08740%0.403CS..Hα-helixtrans-62-42.2175.6-62.2165.7000110.3L49 L52 L53 K56 I73 A80 L81L49-I77 HydrophobicContact CD2-CG2 4.43Å; L52-I77 HydrophobicContact CD2-CD1 3.62Å; L52-I77 HydrophobicContact CD2-CG1 4.39Å; L53-I77 HydrophobicContact CB-CG2 3.82Å; L53-I77 HydrophobicContact CD1-CB 4.25Å; L53-I77 HydrophobicContact CD1-CG2 3.79Å; L53-I77 HydrophobicContact CG-CG2 4.38Å; K56-I77 HydrophobicContact CB-CD1 4.39Å; K56-I77 HydrophobicContact CG-CD1 3.97Å; I73-I77 HydrophobicContact CG2-CD1 3.88Å; I73-I77 HydrophobicContact CG2-CG1 4.46Å; I73-I77 WeakPolarHBondContact O-CG1 3.49Å; I73-I77 PolarHBondContact O-N 3.5Å; I77-A80 PolarHBondContact O-N 3.02Å; I77-L81 WeakPolarHBondContact O-CB 3.26Å; I77-L81 PolarHBondContact O-N 3.4Å
78S91.4Very high86.1Confident50 Ų5071.2 Ų71.235%0.3538%0.377SS..Hα-helixtrans-62.6-43.5176.5-168.40000112.1L74 Q75 E76 L81 D82L74-S78 WeakPolarHBondContact O-CB 3.5Å; L74-S78 PolarHBondContact O-N 2.84Å; Q75-S78 PolarHBondContact O-N 3.32Å; E76-S78 VanDerWaalsContact C-N 3.32Å; E76-S78 PolarHBondContact O-N 3Å; S78-L81 WeakPolarHBondContact O-CB 3.36Å; S78-L81 PolarHBondContact O-N 3.08Å; S78-D82 PolarHBondContact O-N 3.45Å
79K93.2Very high87.4Confident131 Ų13166.1 Ų66.157%0.5736%0.358SS*.Hα-helixtrans-64.2-41175.8-75.6173.6-176.3168.40111.8Q75 E76 L81 D82 S83Q75-K79 WeakPolarHBondContact O-CB 3.2Å; Q75-K79 WeakPolarHBondContact O-CG 3.49Å; Q75-K79 PolarHBondContact O-N 3.47Å; E76-K79 PolarHBondContact O-N 2.87Å; K79-L81 VanDerWaalsContact C-N 3.33Å; K79-D82 PolarHBondContact O-N 2.88Å; K79-S83 WeakPolarHBondContact O-CB 3.49Å; K79-S83 PolarHBondContact O-N 3.42Å
80A93Very high88.5Confident41 Ų4170.8 Ų70.834%0.33936%0.364SS..Hα-helixtrans-63.1-41.3175.300000111.3L49 E76 I77 S83 A84L49-A80 HydrophobicContact CD1-CB 4.3Å; L49-A80 HydrophobicContact CD2-CB 4.28Å; E76-A80 WeakPolarHBondContact O-CB 3.46Å; E76-A80 PolarHBondContact O-N 3.43Å; I77-A80 PolarHBondContact O-N 3.02Å; A80-S83 PolarHBondContact O-N 2.89Å; A80-A84 WeakPolarHBondContact O-CB 3.44Å; A80-A84 PolarHBondContact O-N 3.41Å
81L93Very high89.5Confident20 Ų2068.8 Ų68.811%0.10536%0.357CS..Hα-helixtrans-62.9-45.1175.9-176.465000111.7I46 L49 R50 I77 S78 K79 S83 A84 N85I46-L81 HydrophobicContact CB-CD1 4.48Å; I46-L81 HydrophobicContact CG2-CD1 3.91Å; L49-L81 HydrophobicContact CB-CD1 3.96Å; R50-L81 HydrophobicContact CG-CD1 3.9Å; R50-L81 HydrophobicContact CG-CD2 4.08Å; I77-L81 WeakPolarHBondContact O-CB 3.26Å; I77-L81 PolarHBondContact O-N 3.4Å; S78-L81 WeakPolarHBondContact O-CB 3.36Å; S78-L81 PolarHBondContact O-N 3.08Å; K79-L81 VanDerWaalsContact C-N 3.33Å; L81-S83 VanDerWaalsContact C-N 3.34Å; L81-S83 PolarHBondContact O-N 3.2Å; L81-A84 PolarHBondContact O-N 3Å; L81-N85 WeakPolarHBondContact O-CB 3.45Å; L81-N85 VanDerWaalsContact O-CG 3.32Å; L81-N85 PolarHBondContact O-N 3.32Å; L81-N85 PolarHBondContact O-ND2 3.34Å
82D91.2Very high90.3Very high87 Ų8767.2 Ų67.247%0.46535%0.347SS..Hα-helixtrans-62.5-40.7175.5-73.9-23.9000112.2S78 K79 K86S78-D82 PolarHBondContact O-N 3.45Å; K79-D82 PolarHBondContact O-N 2.88Å; D82-K86 WeakPolarHBondContact O-CG 3.26Å; D82-K86 PolarHBondContact O-N 3.06Å
83S92.7Very high90.6Very high59 Ų5969.2 Ų69.241%0.41335%0.354SS..Hα-helixtrans-63.2-46.8174.8-172.80000111.4K79 A80 L81 N85 K86 Q87K79-S83 WeakPolarHBondContact O-CB 3.49Å; K79-S83 PolarHBondContact O-N 3.42Å; A80-S83 PolarHBondContact O-N 2.89Å; L81-S83 VanDerWaalsContact C-N 3.34Å; L81-S83 PolarHBondContact O-N 3.2Å; S83-N85 PolarHBondContact O-N 3.5Å; S83-K86 PolarHBondContact O-N 3.49Å; S83-Q87 WeakPolarHBondContact O-CG 3.4Å; S83-Q87 PolarHBondContact O-N 3.02Å
84A91.2Very high91.1Very high9 Ų971.9 Ų71.97%0.07436%0.362CS..Hα-helixtrans-62.4-42.5177.800000111.9I46 L49 A80 L81 Q87 A88I46-A84 HydrophobicContact CG1-CB 3.79Å; L49-A84 HydrophobicContact CD1-CB 4.02Å; A80-A84 WeakPolarHBondContact O-CB 3.44Å; A80-A84 PolarHBondContact O-N 3.41Å; L81-A84 PolarHBondContact O-N 3Å; A84-Q87 PolarHBondContact O-N 2.79Å; A84-A88 WeakPolarHBondContact O-CB 3.43Å; A84-A88 PolarHBondContact O-N 2.96Å
85N90.9Very high91.4Very high59 Ų5970.2 Ų70.232%0.31635%0.353SS..Hα-helixtrans-60.5-45.2174.4-76.5-43000111.9I46 L81 S83 Q87 A88 G89I46-N85 WeakPolarHBondContact CD1-OD1 3.37Å; L81-N85 WeakPolarHBondContact O-CB 3.45Å; L81-N85 VanDerWaalsContact O-CG 3.32Å; L81-N85 PolarHBondContact O-N 3.32Å; L81-N85 PolarHBondContact O-ND2 3.34Å; S83-N85 PolarHBondContact O-N 3.5Å; N85-Q87 VanDerWaalsContact C-N 3.34Å; N85-Q87 PolarHBondContact O-N 2.84Å; N85-A88 PolarHBondContact O-N 2.86Å; N85-G89 PolarHBondContact O-N 3.38Å
86K91.8Very high91.5Very high157 Ų15768.5 Ų68.568%0.68334%0.344SS*.Hα-helixtrans-62.6-40.2176.3-76.2176.5-177.5174.70112.2D82 S83 K90D82-K86 WeakPolarHBondContact O-CG 3.26Å; D82-K86 PolarHBondContact O-N 3.06Å; S83-K86 PolarHBondContact O-N 3.49Å; K86-K90 PolarHBondContact O-N 3.33Å
87Q91.6Very high91.7Very high83 Ų8367.8 Ų67.839%0.38834%0.344SS..Hα-helixtrans-66.7-44.7176.3-71.117912.600111.5S83 A84 N85 G89 K90 I91S83-Q87 WeakPolarHBondContact O-CG 3.4Å; S83-Q87 PolarHBondContact O-N 3.02Å; A84-Q87 PolarHBondContact O-N 2.79Å; N85-Q87 VanDerWaalsContact C-N 3.34Å; N85-Q87 PolarHBondContact O-N 2.84Å; Q87-G89 VanDerWaalsContact C-N 3.32Å; Q87-G89 PolarHBondContact O-N 3.36Å; Q87-K90 PolarHBondContact O-N 3.03Å; Q87-I91 WeakPolarHBondContact O-CG1 3.36Å; Q87-I91 PolarHBondContact O-N 3.37Å; Q87-I91 VanDerWaalsContact O-N 3.1Å
88A89.9Confident91.9Very high5 Ų567.3 Ų67.34%0.04134%0.342CS..Hα-helixtrans-59.6-42.4176.100000111.5F39 R42 I46 A84 N85 K90 I91 Y92F39-A88 HydrophobicContact CE2-CB 4.11Å; F39-A88 WeakPolarHBondContact CE2-O 3.47Å; R42-A88 HydrophobicContact CB-CB 4.07Å; I46-A88 HydrophobicContact CD1-CB 3.65Å; A84-A88 WeakPolarHBondContact O-CB 3.43Å; A84-A88 PolarHBondContact O-N 2.96Å; N85-A88 PolarHBondContact O-N 2.86Å; A88-K90 PolarHBondContact O-N 3.49Å; A88-I91 PolarHBondContact O-N 3.09Å; A88-Y92 WeakPolarHBondContact O-CB 3.43Å; A88-Y92 PolarHBondContact O-N 2.86Å
89G89.9Confident92.1Very high33 Ų3365 Ų6534%0.3433%0.326SS..Hα-helixtrans-58-44.317500000113.2N85 Q87 I91 Y92 E93N85-G89 PolarHBondContact O-N 3.38Å; Q87-G89 VanDerWaalsContact C-N 3.32Å; Q87-G89 PolarHBondContact O-N 3.36Å; G89-I91 PolarHBondContact O-N 3.32Å; G89-Y92 WeakPolarHBondContact O-CB 3.36Å; G89-Y92 PolarHBondContact O-N 2.94Å; G89-E93 PolarHBondContact O-N 3.36Å
90K92.4Very high92.1Very high145 Ų14564.8 Ų64.863%0.6333%0.325SS*.Hα-helixtrans-64.7-37.7176.5-70.4-179.9-179.7-175.50113.2K86 Q87 A88 K94K86-K90 PolarHBondContact O-N 3.33Å; Q87-K90 PolarHBondContact O-N 3.03Å; A88-K90 PolarHBondContact O-N 3.49Å; K90-K94 WeakPolarHBondContact O-CG 3.34Å; K90-K94 PolarHBondContact O-N 2.61Å
91I92.4Very high92.2Very high22 Ų2264.7 Ų64.711%0.11332%0.324CS..Hα-helixtrans-70.5-37.9176.8-62.7175.9000109.8I35 Q38 F39 R42 Q87 A88 G89 K94 L95I35-I91 HydrophobicContact CG2-CG2 3.86Å; Q38-I91 HydrophobicContact CB-CG2 4.36Å; F39-I91 HydrophobicContact CB-CG2 3.84Å; F39-I91 HydrophobicContact CD2-CB 4.43Å; F39-I91 HydrophobicContact CD2-CG2 4.36Å; R42-I91 HydrophobicContact CG-CD1 3.7Å; Q87-I91 WeakPolarHBondContact O-CG1 3.36Å; Q87-I91 PolarHBondContact O-N 3.37Å; Q87-I91 VanDerWaalsContact O-N 3.1Å; A88-I91 PolarHBondContact O-N 3.09Å; G89-I91 PolarHBondContact O-N 3.32Å; I91-K94 WeakPolarHBondContact O-CB 3.23Å; I91-K94 PolarHBondContact O-N 3.5Å; I91-L95 WeakPolarHBondContact O-CB 3.26Å; I91-L95 PolarHBondContact O-N 2.91Å
92Y90.5Very high92.4Very high65 Ų6563.7 Ų63.726%0.25532%0.319SS..Hα-helixtrans-62-43.5176178.2-98.8000112.8F39 A88 G89 K94 L95 F96 D184F39-Y92 AromaticContact CE1-CD2 3.88Å; F39-Y92 HydrophobicContact CE1-CD2 3.88Å; F39-Y92 HydrophobicContact CE2-CD2 4.3Å; F39-Y92 HydrophobicContact CE2-CG 4.4Å; F39-Y92 AromaticContact CZ-CD2 3.73Å; F39-Y92 HydrophobicContact CZ-CD2 3.73Å; F39-Y92 HydrophobicContact CZ-CG 4.21Å; A88-Y92 WeakPolarHBondContact O-CB 3.43Å; A88-Y92 PolarHBondContact O-N 2.86Å; G89-Y92 WeakPolarHBondContact O-CB 3.36Å; G89-Y92 PolarHBondContact O-N 2.94Å; Y92-K94 VanDerWaalsContact C-N 3.33Å; Y92-K94 PolarHBondContact O-N 2.88Å; Y92-L95 WeakPolarHBondContact O-CB 3.28Å; Y92-L95 PolarHBondContact O-N 3.27Å; Y92-L95 VanDerWaalsContact O-N 3.13Å; Y92-F96 WeakPolarHBondContact O-CB 3.44Å; Y92-F96 PolarHBondContact O-N 3.44Å; Y92-D184 HydrophobicContact CE2-CB 4.19Å; Y92-D184 VanDerWaalsContact CE2-CG 3.49Å; Y92-D184 WeakPolarHBondContact CE2-OD2 3.5Å; Y92-D184 VanDerWaalsContact OH-CG 3.26Å; Y92-D184 PolarHBondContact OH-OD1 3.29Å
93E90Very high92.6Very high129 Ų12960.3 Ų60.360%0.60330%0.301SS*.Hα-helixtrans-58.2-45.3174.2-73.3177173.100111.4G89 L95 F96 D97G89-E93 PolarHBondContact O-N 3.36Å; E93-L95 VanDerWaalsContact C-N 3.32Å; E93-L95 PolarHBondContact O-N 2.67Å; E93-F96 WeakPolarHBondContact O-CB 3.35Å; E93-F96 PolarHBondContact O-N 3.12Å; E93-D97 PolarHBondContact O-N 3.01Å
94K94Very high92.8Very high137 Ų13760.6 Ų60.660%0.59630%0.303SS*.Hα-helixtrans-61.7-39.8174.5-68.6180178.6-172.40112.5I35 K90 I91 Y92 F96 D97 S98I35-K94 HydrophobicContact CD1-CB 4.45Å; I35-K94 HydrophobicContact CG2-CB 4.33Å; K90-K94 WeakPolarHBondContact O-CG 3.34Å; K90-K94 PolarHBondContact O-N 2.61Å; I91-K94 WeakPolarHBondContact O-CB 3.23Å; I91-K94 PolarHBondContact O-N 3.5Å; Y92-K94 VanDerWaalsContact C-N 3.33Å; Y92-K94 PolarHBondContact O-N 2.88Å; K94-F96 VanDerWaalsContact C-N 3.35Å; K94-D97 PolarHBondContact O-N 3.26Å; K94-S98 VanDerWaalsContact O-CB 3.28Å; K94-S98 WeakPolarHBondContact O-CB 3.49Å; K94-S98 PolarHBondContact O-N 3.29Å
95L91.9Very high93.1Very high0 Ų060.7 Ų60.70%030%0.303CS..Hα-helixtrans-63.4-44177.2-177.856.4000110.8T32 I35 Q36 F39 I91 Y92 E93 S98 R99T32-L95 HydrophobicContact CG2-CD1 4.05Å; I35-L95 HydrophobicContact CB-CD1 4.31Å; I35-L95 HydrophobicContact CG2-CB 3.72Å; I35-L95 HydrophobicContact CG2-CD1 4.13Å; I35-L95 HydrophobicContact CG2-CG 4.48Å; Q36-L95 HydrophobicContact CB-CD1 3.84Å; Q36-L95 HydrophobicContact CB-CD2 4.23Å; Q36-L95 HydrophobicContact CG-CD2 4.3Å; F39-L95 HydrophobicContact CB-CD2 4.37Å; F39-L95 HydrophobicContact CD1-CD2 4.09Å; F39-L95 HydrophobicContact CG-CD2 4.44Å; I91-L95 WeakPolarHBondContact O-CB 3.26Å; I91-L95 PolarHBondContact O-N 2.91Å; Y92-L95 WeakPolarHBondContact O-CB 3.28Å; Y92-L95 PolarHBondContact O-N 3.27Å; Y92-L95 VanDerWaalsContact O-N 3.13Å; E93-L95 VanDerWaalsContact C-N 3.32Å; E93-L95 PolarHBondContact O-N 2.67Å; L95-S98 PolarHBondContact O-N 3.45Å; L95-R99 HydrophobicContact CD1-CG 4.24Å; L95-R99 WeakPolarHBondContact O-CB 3.47Å; L95-R99 VanDerWaalsContact O-CG 3.26Å; L95-R99 WeakPolarHBondContact O-CG 3.48Å; L95-R99 PolarHBondContact O-N 3.2Å
96F90.9Very high93.4Very high72 Ų7257.9 Ų57.932%0.31629%0.288SS..Hα-helixtrans-57.9-49.4176.9178.9-85000111.2Y92 E93 K94 R99 K100 N186Y92-F96 WeakPolarHBondContact O-CB 3.44Å; Y92-F96 PolarHBondContact O-N 3.44Å; E93-F96 WeakPolarHBondContact O-CB 3.35Å; E93-F96 PolarHBondContact O-N 3.12Å; K94-F96 VanDerWaalsContact C-N 3.35Å; F96-R99 PolarHBondContact O-N 3.14Å; F96-K100 PolarHBondContact O-N 3.18Å; F96-K100 VanDerWaalsContact O-N 3.11Å; F96-N186 HydrophobicContact CD2-CB 3.86Å; F96-N186 WeakPolarHBondContact CD2-ND2 3.43Å; F96-N186 HydrophobicContact CE2-CB 3.83Å; F96-N186 VanDerWaalsContact CE2-ND2 3.27Å; F96-N186 WeakPolarHBondContact CE2-ND2 3.5Å
97D93.7Very high93.7Very high102 Ų10255.3 Ų55.355%0.54528%0.277SS..Hα-helixtrans-64.7-42.8179.2-71.4-26.4000112.1E93 K94 R99 K100 A101E93-D97 PolarHBondContact O-N 3.01Å; K94-D97 PolarHBondContact O-N 3.26Å; D97-R99 PolarHBondContact O-N 3.33Å; D97-K100 PolarHBondContact O-N 3.12Å; D97-A101 WeakPolarHBondContact O-CB 3.37Å; D97-A101 PolarHBondContact O-N 3.45Å
98S94.9Very high93.9Very high7 Ų756.5 Ų56.55%0.04928%0.278CS..Hα-helixtrans-61.9-43.9178.3-166.30000112.1T32 K94 L95 K100 A101 L102T32-S98 WeakPolarHBondContact CA-OG 3.2Å; T32-S98 PolarHBondContact OG1-OG 3.06Å; K94-S98 VanDerWaalsContact O-CB 3.28Å; K94-S98 WeakPolarHBondContact O-CB 3.49Å; K94-S98 PolarHBondContact O-N 3.29Å; L95-S98 PolarHBondContact O-N 3.45Å; S98-K100 VanDerWaalsContact C-N 3.34Å; S98-K100 PolarHBondContact O-N 2.83Å; S98-A101 PolarHBondContact O-N 3.09Å; S98-L102 PolarHBondContact O-N 3.42Å
99R94.3Very high94.3Very high1 Ų156.3 Ų56.30%0.00428%0.276CS..Hα-helixtrans-61.3-42.5175.2-73.7178.8173.8166.6-2.5112T32 L95 F96 D97 L103 F172 D184T32-R99 HydrophobicContact CG2-CG 3.67Å; L95-R99 HydrophobicContact CD1-CG 4.24Å; L95-R99 WeakPolarHBondContact O-CB 3.47Å; L95-R99 VanDerWaalsContact O-CG 3.26Å; L95-R99 WeakPolarHBondContact O-CG 3.48Å; L95-R99 PolarHBondContact O-N 3.2Å; F96-R99 PolarHBondContact O-N 3.14Å; D97-R99 PolarHBondContact O-N 3.33Å; R99-L103 WeakPolarHBondContact O-CG 3.39Å; R99-L103 PolarHBondContact O-N 3.49Å; R99-F172 HydrophobicContact CB-CE2 4.4Å; R99-F172 HydrophobicContact CB-CZ 4.05Å; R99-F172 HydrophobicContact CG-CE2 3.88Å; R99-F172 HydrophobicContact CG-CZ 3.94Å; R99-D184 IonicContact CZ-OD2 3.96Å; R99-D184 IonicContact NH1-OD2 2.79Å; R99-D184 PolarHBondContact NH1-OD2 3.4Å
100K93.2Very high94.7Very high127 Ų12755.7 Ų55.755%0.55227%0.266SS*.Hα-helixtrans-66.2-40.4178.1-174.7-179176.1-1750111.6F96 D97 S98 S104F96-K100 PolarHBondContact O-N 3.18Å; F96-K100 VanDerWaalsContact O-N 3.11Å; D97-K100 PolarHBondContact O-N 3.12Å; S98-K100 VanDerWaalsContact C-N 3.34Å; S98-K100 PolarHBondContact O-N 2.83Å; K100-S104 WeakPolarHBondContact O-CB 3.4Å; K100-S104 PolarHBondContact O-N 3.34Å; K100-S104 PolarHBondContact O-OG 3.48Å
101A95.9Very high95Very high39 Ų3955 Ų5532%0.32227%0.265SS..Hα-helixtrans-61.8-49.617600000111.2D97 S98 L103 S104 S105D97-A101 WeakPolarHBondContact O-CB 3.37Å; D97-A101 PolarHBondContact O-N 3.45Å; S98-A101 PolarHBondContact O-N 3.09Å; A101-L103 PolarHBondContact O-N 3.4Å; A101-S104 WeakPolarHBondContact O-CB 3.39Å; A101-S104 PolarHBondContact O-N 3.06Å; A101-S104 VanDerWaalsContact O-N 3.11Å; A101-S105 PolarHBondContact O-N 3.29Å
102L97.2Very high95.2Very high0 Ų054.6 Ų54.60%026%0.263CS..Hα-helixtrans-57-49.2176.9177.358.8000112.2C25 Q28 W29 S98 S104 S105 L106 V168 F172C25-L102 HydrophobicContact CB-CD1 4.45Å; C25-L102 WeakPolarHBondContact O-CD1 3.41Å; Q28-L102 HydrophobicContact CB-CB 4.14Å; Q28-L102 HydrophobicContact CB-CD1 3.95Å; W29-L102 HydrophobicContact CB-CD1 4.34Å; W29-L102 HydrophobicContact CB-CD2 4.3Å; W29-L102 HydrophobicContact CE3-CD2 4.32Å; S98-L102 PolarHBondContact O-N 3.42Å; L102-S104 PolarHBondContact O-N 2.66Å; L102-S105 PolarHBondContact O-N 3.34Å; L102-L106 HydrophobicContact CD1-CD1 4.1Å; L102-L106 HydrophobicContact CD1-CG 4.16Å; L102-L106 HydrophobicContact CG-CD1 4.06Å; L102-L106 WeakPolarHBondContact O-CB 3.39Å; L102-L106 WeakPolarHBondContact O-CG 3.43Å; L102-L106 PolarHBondContact O-N 2.87Å; L102-V168 HydrophobicContact CD1-CG1 4.21Å; L102-F172 HydrophobicContact CD2-CB 4.18Å; L102-F172 HydrophobicContact CD2-CD1 4.36Å; L102-F172 HydrophobicContact CD2-CD2 3.52Å; L102-F172 HydrophobicContact CD2-CE2 3.97Å; L102-F172 HydrophobicContact CD2-CG 3.75Å
103L96.5Very high95.6Very high15 Ų1551.5 Ų51.58%0.07925%0.251CS..Hα-helixtrans-60.9-34177.7-77.7171.3000112.8R99 A101 K107 F172 C190 A193 I197R99-L103 WeakPolarHBondContact O-CG 3.39Å; R99-L103 PolarHBondContact O-N 3.49Å; A101-L103 PolarHBondContact O-N 3.4Å; L103-K107 VanDerWaalsContact O-CG 3.28Å; L103-K107 WeakPolarHBondContact O-CG 3.36Å; L103-K107 PolarHBondContact O-N 3.12Å; L103-K107 VanDerWaalsContact O-N 3.09Å; L103-F172 HydrophobicContact CD1-CE1 4.14Å; L103-F172 HydrophobicContact CD2-CD1 4.2Å; L103-F172 HydrophobicContact CD2-CE1 3.72Å; L103-F172 HydrophobicContact CG-CE1 3.76Å; L103-F172 HydrophobicContact CG-CZ 4.38Å; L103-C190 HydrophobicContact CD1-CB 3.98Å; L103-A193 HydrophobicContact CD1-CB 4.14Å; L103-A193 HydrophobicContact CD2-CB 4.05Å; L103-I197 HydrophobicContact CD2-CD1 3.76Å
104S96.1Very high96Very high66 Ų6647.7 Ų47.746%0.46224%0.236SC..Hα-helixtrans-71.6-42.6178.7-55.70000111.4K100 A101 L102 K107 R108K100-S104 WeakPolarHBondContact O-CB 3.4Å; K100-S104 PolarHBondContact O-N 3.34Å; K100-S104 PolarHBondContact O-OG 3.48Å; A101-S104 WeakPolarHBondContact O-CB 3.39Å; A101-S104 PolarHBondContact O-N 3.06Å; A101-S104 VanDerWaalsContact O-N 3.11Å; L102-S104 PolarHBondContact O-N 2.66Å; S104-K107 PolarHBondContact O-N 3.32Å; S104-R108 PolarHBondContact O-N 2.9Å
105S96.8Very high96.2Very high10 Ų1043.2 Ų43.27%0.0723%0.225CC..Hα-helixtrans-66.5-39.9176.5-173.70000111.9E21 C25 A101 L102 K107 R108 S109E21-S105 WeakPolarHBondContact OE1-CA 3.36Å; E21-S105 WeakPolarHBondContact OE1-CB 3.43Å; E21-S105 PolarHBondContact OE1-OG 2.85Å; C25-S105 VanDerWaalsContact SG-C 3.54Å; C25-S105 PolarHBondContact SG-OG 3.36Å; A101-S105 PolarHBondContact O-N 3.29Å; L102-S105 PolarHBondContact O-N 3.34Å; S105-K107 PolarHBondContact O-N 3.16Å; S105-R108 PolarHBondContact O-N 3.5Å; S105-S109 WeakPolarHBondContact O-CB 3.31Å; S105-S109 PolarHBondContact O-N 3.11Å; S105-S109 PolarHBondContact O-OG 3.23Å
106L97.7Very high96.5Very high1 Ų143.2 Ų43.21%0.00523%0.225CC..Hα-helixtrans-62.3-43173.4-77.1171.2000112.3C25 L102 S109 V110 L165 V168 A169 I197C25-L106 HydrophobicContact CB-CD2 4.25Å; L102-L106 HydrophobicContact CD1-CD1 4.1Å; L102-L106 HydrophobicContact CD1-CG 4.16Å; L102-L106 HydrophobicContact CG-CD1 4.06Å; L102-L106 WeakPolarHBondContact O-CB 3.39Å; L102-L106 WeakPolarHBondContact O-CG 3.43Å; L102-L106 PolarHBondContact O-N 2.87Å; L106-S109 WeakPolarHBondContact O-CB 3.28Å; L106-S109 PolarHBondContact O-N 3.25Å; L106-V110 WeakPolarHBondContact O-CG2 3.32Å; L106-V110 PolarHBondContact O-N 3.01Å; L106-L165 HydrophobicContact CD2-CD2 4.16Å; L106-V168 HydrophobicContact CD2-CG1 4.34Å; L106-A169 HydrophobicContact CD1-CB 4.27Å; L106-A169 HydrophobicContact CD2-CB 4.49Å; L106-I197 HydrophobicContact CB-CD1 3.95Å; L106-I197 HydrophobicContact CB-CG2 4.14Å
107K97.1Very high96.8Very high102 Ų10242 Ų4244%0.44322%0.218SC..Hα-helixtrans-61.6-44.9175.2-77.1176.3-178.5-175.20112L103 S104 S105 S109 V110 E111 I197L103-K107 VanDerWaalsContact O-CG 3.28Å; L103-K107 WeakPolarHBondContact O-CG 3.36Å; L103-K107 PolarHBondContact O-N 3.12Å; L103-K107 VanDerWaalsContact O-N 3.09Å; S104-K107 PolarHBondContact O-N 3.32Å; S105-K107 PolarHBondContact O-N 3.16Å; K107-S109 VanDerWaalsContact C-N 3.28Å; K107-S109 PolarHBondContact O-N 3.08Å; K107-V110 WeakPolarHBondContact O-CB 3.41Å; K107-V110 PolarHBondContact O-N 3.41Å; K107-E111 PolarHBondContact O-N 3.26Å; K107-I197 HydrophobicContact CG-CD1 3.83Å; K107-I197 HydrophobicContact CG-CG1 4.08Å
108R97.3Very high96.9Very high109 Ų10939.2 Ų39.241%0.41121%0.206SC..Hα-helixtrans-60.4-40.2174.9-178.3171.1177.782.37.2111.5E17 E21 S104 S105 V110 E111 L112E17-R108 IonicContact OE1-CZ 2.69Å; E17-R108 IonicContact OE1-NH2 3.12Å; E17-R108 PolarHBondContact OE1-NH2 3.45Å; E21-R108 HydrophobicContact CG-CB 4.49Å; E21-R108 HydrophobicContact CG-CG 4.31Å; E21-R108 WeakPolarHBondContact OE2-CD 3.4Å; E21-R108 IonicContact OE2-NE 3.86Å; E21-R108 PolarHBondContact OE2-NE 2.77Å; S104-R108 PolarHBondContact O-N 2.9Å; S105-R108 PolarHBondContact O-N 3.5Å; R108-V110 VanDerWaalsContact C-N 3.34Å; R108-V110 PolarHBondContact O-N 2.87Å; R108-E111 WeakPolarHBondContact O-CB 3.34Å; R108-E111 PolarHBondContact O-N 3.43Å; R108-L112 HydrophobicContact CG-CD1 4.47Å; R108-L112 PolarHBondContact O-N 3.19Å; R108-L112 VanDerWaalsContact O-N 3.08Å
109S98Very high97Very high0 Ų040 Ų400%021%0.21CC..Hα-helixtrans-61.3-41.4175.6-61.80000112E21 S105 L106 K107 E111 L112 V113E21-S109 WeakPolarHBondContact CG-OG 3.48Å; S105-S109 WeakPolarHBondContact O-CB 3.31Å; S105-S109 PolarHBondContact O-N 3.11Å; S105-S109 PolarHBondContact O-OG 3.23Å; L106-S109 WeakPolarHBondContact O-CB 3.28Å; L106-S109 PolarHBondContact O-N 3.25Å; K107-S109 VanDerWaalsContact C-N 3.28Å; K107-S109 PolarHBondContact O-N 3.08Å; S109-E111 VanDerWaalsContact C-N 3.33Å; S109-E111 PolarHBondContact O-N 3.21Å; S109-L112 PolarHBondContact O-N 3.02Å; S109-V113 VanDerWaalsContact O-CG2 3.28Å; S109-V113 WeakPolarHBondContact O-CG2 3.4Å; S109-V113 PolarHBondContact O-N 3.37Å
110V98.3Very high97.2Very high21 Ų2140 Ų4013%0.12721%0.21CC..Hα-helixtrans-59.2-43.8174.9173.50000111.3L106 K107 R108 L112 V113 V114 I197 A200 L201L106-V110 WeakPolarHBondContact O-CG2 3.32Å; L106-V110 PolarHBondContact O-N 3.01Å; K107-V110 WeakPolarHBondContact O-CB 3.41Å; K107-V110 PolarHBondContact O-N 3.41Å; R108-V110 VanDerWaalsContact C-N 3.34Å; R108-V110 PolarHBondContact O-N 2.87Å; V110-L112 VanDerWaalsContact C-N 3.35Å; V110-L112 PolarHBondContact O-N 3.43Å; V110-V113 WeakPolarHBondContact O-CB 3.27Å; V110-V113 PolarHBondContact O-N 3.17Å; V110-V114 HydrophobicContact CG1-CG2 4.49Å; V110-V114 WeakPolarHBondContact O-CG2 3.47Å; V110-V114 PolarHBondContact O-N 2.67Å; V110-I197 HydrophobicContact CG2-CG2 4.16Å; V110-A200 HydrophobicContact CG1-CB 4.06Å; V110-L201 HydrophobicContact CG2-CD2 3.75Å; V110-L201 HydrophobicContact CG2-CG 3.84Å
111E97.8Very high97.3Very high129 Ų12935 Ų3560%0.60319%0.189SC*.Hα-helixtrans-60.8-43.1177.4-65.6171.1-179.600111.9K107 R108 S109 V114 A115K107-E111 PolarHBondContact O-N 3.26Å; R108-E111 WeakPolarHBondContact O-CB 3.34Å; R108-E111 PolarHBondContact O-N 3.43Å; S109-E111 VanDerWaalsContact C-N 3.33Å; S109-E111 PolarHBondContact O-N 3.21Å; E111-V114 PolarHBondContact O-N 3.2Å; E111-A115 WeakPolarHBondContact O-CB 3.45Å; E111-A115 PolarHBondContact O-N 3.45Å
112L98Very high97.3Very high15 Ų1535.8 Ų35.88%0.07919%0.188CC..Hα-helixtrans-66.3-37.5176.3-71.1173000112.6L14 E17 L18 E21 R108 S109 V110 A115 S116L14-L112 HydrophobicContact CD2-CD2 4.45Å; E17-L112 HydrophobicContact CG-CD1 3.99Å; E17-L112 HydrophobicContact CG-CD2 4.23Å; L18-L112 HydrophobicContact CB-CB 4.4Å; L18-L112 HydrophobicContact CD1-CB 3.95Å; E21-L112 HydrophobicContact CB-CD1 4.11Å; E21-L112 HydrophobicContact CG-CD1 4.41Å; R108-L112 HydrophobicContact CG-CD1 4.47Å; R108-L112 PolarHBondContact O-N 3.19Å; R108-L112 VanDerWaalsContact O-N 3.08Å; S109-L112 PolarHBondContact O-N 3.02Å; V110-L112 VanDerWaalsContact C-N 3.35Å; V110-L112 PolarHBondContact O-N 3.43Å; L112-A115 PolarHBondContact O-N 3.25Å; L112-S116 VanDerWaalsContact O-CB 3.27Å; L112-S116 WeakPolarHBondContact O-CB 3.49Å; L112-S116 PolarHBondContact O-N 2.85Å; L112-S116 PolarHBondContact O-OG 2.72Å
113V98.4Very high97.2Very high0 Ų040.1 Ų40.10%021%0.208CC..Hα-helixtrans-61.5-49.4174166.10000110.3L18 S109 V110 A115 S116 R117 V162 L165 E204L18-V113 HydrophobicContact CD1-CG2 3.81Å; L18-V113 HydrophobicContact CD2-CG2 3.89Å; S109-V113 VanDerWaalsContact O-CG2 3.28Å; S109-V113 WeakPolarHBondContact O-CG2 3.4Å; S109-V113 PolarHBondContact O-N 3.37Å; V110-V113 WeakPolarHBondContact O-CB 3.27Å; V110-V113 PolarHBondContact O-N 3.17Å; V113-A115 PolarHBondContact O-N 3.21Å; V113-S116 PolarHBondContact O-N 3.41Å; V113-R117 WeakPolarHBondContact O-CB 3.28Å; V113-R117 PolarHBondContact O-N 2.92Å; V113-V162 HydrophobicContact CB-CG2 4.24Å; V113-V162 HydrophobicContact CG1-CG2 3.48Å; V113-V162 VanDerWaalsContact CG1-CG2 3.48Å; V113-V162 HydrophobicContact CG2-CG2 3.63Å; V113-L165 HydrophobicContact CG2-CD1 4.06Å; V113-E204 HydrophobicContact CG1-CB 3.89Å; V113-E204 HydrophobicContact CG1-CG 4.1Å
114V98.1Very high97.2Very high48 Ų4839.4 Ų39.429%0.29120%0.204SC..Hα-helixtrans-59.1-47.7178.6172.80000110.5V110 E111 S116 R117 C118 E204V110-V114 HydrophobicContact CG1-CG2 4.49Å; V110-V114 WeakPolarHBondContact O-CG2 3.47Å; V110-V114 PolarHBondContact O-N 2.67Å; E111-V114 PolarHBondContact O-N 3.2Å; V114-S116 PolarHBondContact O-N 3.2Å; V114-R117 PolarHBondContact O-N 3.41Å; V114-C118 PolarHBondContact O-N 3.48Å; V114-C118 PolarHBondContact O-SG 2.96Å; V114-E204 HydrophobicContact CG2-CG 4.18Å
115A97.7Very high97.3Very high44 Ų4436.3 Ų36.336%0.36418%0.183SC..Hα-helixtrans-60.9-44.8178.500000112.1E111 L112 V113 C118 L119E111-A115 WeakPolarHBondContact O-CB 3.45Å; E111-A115 PolarHBondContact O-N 3.45Å; L112-A115 PolarHBondContact O-N 3.25Å; V113-A115 PolarHBondContact O-N 3.21Å; A115-C118 PolarHBondContact O-N 3.25Å; A115-L119 PolarHBondContact O-N 3.03Å; A115-L119 VanDerWaalsContact O-N 3.14Å
116S98Very high97.2Very high0 Ų038.3 Ų38.30%019%0.191CC..Hα-helixtrans-64.6-42.2177.8-60.20000111.8L11 L112 V113 V114 L119 L120L11-S116 WeakPolarHBondContact CD1-O 3.41Å; L112-S116 VanDerWaalsContact O-CB 3.27Å; L112-S116 WeakPolarHBondContact O-CB 3.49Å; L112-S116 PolarHBondContact O-N 2.85Å; L112-S116 PolarHBondContact O-OG 2.72Å; V113-S116 PolarHBondContact O-N 3.41Å; V114-S116 PolarHBondContact O-N 3.2Å; S116-L119 PolarHBondContact O-N 3.43Å; S116-L120 VanDerWaalsContact O-CB 3.24Å; S116-L120 WeakPolarHBondContact O-CB 3.49Å; S116-L120 PolarHBondContact O-N 3.33Å
117R97.3Very high97.1Very high45 Ų4539.4 Ų39.417%0.1720%0.196CC..Hα-helixtrans-61.2-49.3176.6-178.6-1715968.61.9111.1V113 V114 L119 L120 I121 L158 E204 I208V113-R117 WeakPolarHBondContact O-CB 3.28Å; V113-R117 PolarHBondContact O-N 2.92Å; V114-R117 PolarHBondContact O-N 3.41Å; R117-L119 PolarHBondContact O-N 3.46Å; R117-L120 PolarHBondContact O-N 3.2Å; R117-I121 HydrophobicContact CG-CD1 3.37Å; R117-I121 HydrophobicContact CG-CG1 4.15Å; R117-I121 WeakPolarHBondContact O-CB 3.41Å; R117-I121 WeakPolarHBondContact O-CG1 3.37Å; R117-I121 PolarHBondContact O-N 3.37Å; R117-L158 HydrophobicContact CB-CD2 4.29Å; R117-E204 WeakPolarHBondContact CD-OE2 3.31Å; R117-E204 IonicContact CZ-OE2 2.74Å; R117-E204 IonicContact NE-OE1 2.73Å; R117-E204 IonicContact NE-OE2 3.71Å; R117-E204 PolarHBondContact NE-OE2 3.04Å; R117-E204 IonicContact NH2-OE1 3.62Å; R117-E204 IonicContact NH2-OE2 3.62Å; R117-I208 HydrophobicContact CG-CG1 4.03Å
118C96.9Very high97Very high45 Ų4534.6 Ų34.630%0.30418%0.175SC..Hα-helixtrans-57.5-49.4179-70.40000110.8V114 A115 L120 I121 D122V114-C118 PolarHBondContact O-N 3.48Å; V114-C118 PolarHBondContact O-SG 2.96Å; A115-C118 PolarHBondContact O-N 3.25Å; C118-L120 VanDerWaalsContact C-N 3.34Å; C118-L120 PolarHBondContact O-N 2.88Å; C118-I121 PolarHBondContact O-N 3.47Å; C118-D122 WeakPolarHBondContact O-CA 3.49Å; C118-D122 VanDerWaalsContact O-CB 3.27Å; C118-D122 WeakPolarHBondContact O-CB 3.31Å; C118-D122 PolarHBondContact O-N 3.32Å
119L97.2Very high96.9Very high22 Ų2233.3 Ų33.312%0.11517%0.172CC..Iπ-helixtrans-65.4-36179.1-173.964.2000112.9H7 H10 L11 L14 A115 S116 R117 E123 A124H7-L119 HydrophobicContact CB-CD1 4.46Å; H10-L119 HydrophobicContact CB-CD2 4Å; H10-L119 WeakPolarHBondContact CD2-CD2 3.39Å; L11-L119 HydrophobicContact CB-CD2 3.73Å; L11-L119 HydrophobicContact CB-CG 4.22Å; L11-L119 HydrophobicContact CD1-CB 4.38Å; L11-L119 HydrophobicContact CD1-CD2 4.28Å; L14-L119 HydrophobicContact CD1-CD2 3.91Å; A115-L119 PolarHBondContact O-N 3.03Å; A115-L119 VanDerWaalsContact O-N 3.14Å; S116-L119 PolarHBondContact O-N 3.43Å; R117-L119 PolarHBondContact O-N 3.46Å; L119-E123 HydrophobicContact CD1-CB 4Å; L119-E123 HydrophobicContact CD1-CG 3.96Å; L119-E123 WeakPolarHBondContact O-CB 3.45Å; L119-A124 PolarHBondContact O-N 3.02Å; L119-A124 VanDerWaalsContact O-N 3.08Å
120L97.8Very high96.8Very high1 Ų137.4 Ų37.41%0.00519%0.188CC..Iπ-helixtrans-70.2-45.1177.7179.554.3000112.3L11 S116 R117 C118 L125 I151 R154 F155 L158L11-L120 HydrophobicContact CD1-CB 4.38Å; L11-L120 HydrophobicContact CD2-CB 3.73Å; L11-L120 HydrophobicContact CD2-CD1 3.64Å; L11-L120 HydrophobicContact CD2-CG 4.14Å; S116-L120 VanDerWaalsContact O-CB 3.24Å; S116-L120 WeakPolarHBondContact O-CB 3.49Å; S116-L120 PolarHBondContact O-N 3.33Å; R117-L120 PolarHBondContact O-N 3.2Å; C118-L120 VanDerWaalsContact C-N 3.34Å; C118-L120 PolarHBondContact O-N 2.88Å; L120-L125 WeakPolarHBondContact O-CB 3.44Å; L120-L125 PolarHBondContact O-N 3.43Å; L120-I151 HydrophobicContact CD1-CG2 4.01Å; L120-R154 HydrophobicContact CD1-CB 3.85Å; L120-R154 HydrophobicContact CD2-CB 4.26Å; L120-F155 HydrophobicContact CD1-CD2 3.97Å; L120-F155 HydrophobicContact CD1-CE2 3.86Å; L120-F155 HydrophobicContact CD2-CB 4.42Å; L120-F155 HydrophobicContact CD2-CD1 3.91Å; L120-F155 HydrophobicContact CD2-CD2 3.83Å; L120-F155 HydrophobicContact CD2-CE1 4.05Å; L120-F155 HydrophobicContact CD2-CE2 3.98Å; L120-F155 HydrophobicContact CD2-CG 3.79Å; L120-F155 HydrophobicContact CD2-CZ 4.09Å; L120-F155 HydrophobicContact CG-CD2 4.03Å; L120-F155 HydrophobicContact CG-CE1 4.37Å; L120-F155 HydrophobicContact CG-CE2 3.74Å; L120-F155 HydrophobicContact CG-CG 4.46Å; L120-F155 HydrophobicContact CG-CZ 3.93Å; L120-L158 HydrophobicContact CD2-CD2 3.97Å
121I96.3Very high96.7Very high23 Ų2338.3 Ų38.312%0.11819%0.189CC..Iπ-helixtrans-86.7-56.1-173.1-60.9175.5000111.3R117 C118 E123 H126 F155R117-I121 HydrophobicContact CG-CD1 3.37Å; R117-I121 HydrophobicContact CG-CG1 4.15Å; R117-I121 WeakPolarHBondContact O-CB 3.41Å; R117-I121 WeakPolarHBondContact O-CG1 3.37Å; R117-I121 PolarHBondContact O-N 3.37Å; C118-I121 PolarHBondContact O-N 3.47Å; I121-E123 VanDerWaalsContact C-N 3.32Å; I121-E123 PolarHBondContact O-N 3.12Å; I121-H126 PolarHBondContact O-N 3.34Å; I121-H126 VanDerWaalsContact O-N 3.15Å; I121-F155 HydrophobicContact CG1-CE1 4.28Å; I121-F155 HydrophobicContact CG1-CZ 4.02Å
122D95Very high96.6Very high56 Ų5632.5 Ų32.530%0.29916%0.162SC..Iπ-helixtrans-75.9-22.4-170.6-69.8-61.3000113.2C118 H126 K390C118-D122 WeakPolarHBondContact O-CA 3.49Å; C118-D122 VanDerWaalsContact O-CB 3.27Å; C118-D122 WeakPolarHBondContact O-CB 3.31Å; C118-D122 PolarHBondContact O-N 3.32Å; D122-H126 WeakPolarHBondContact O-CB 3.4Å; D122-K390 IonicContact OD1-NZ 3.95Å; D122-K390 PolarHBondContact OD1-NZ 2.98Å; D122-K390 VanDerWaalsContact OD1-NZ 3.14Å
123E95.5Very high96.5Very high90 Ų9032.1 Ų32.142%0.42116%0.159SC..Iπ-helixtrans-112.2-63.7-178.2-57.6-63.7163.300111.9H7 L119 I121 E127H7-E123 HydrophobicContact CB-CB 4.46Å; H7-E123 IonicContact CE1-OE2 3.57Å; H7-E123 PolarHBondContact CE1-OE2 2.62Å; H7-E123 IonicContact NE2-OE2 2.67Å; L119-E123 HydrophobicContact CD1-CB 4Å; L119-E123 HydrophobicContact CD1-CG 3.96Å; L119-E123 WeakPolarHBondContact O-CB 3.45Å; I121-E123 VanDerWaalsContact C-N 3.32Å; I121-E123 PolarHBondContact O-N 3.12Å; E123-E127 WeakPolarHBondContact O-CB 3.45Å; E123-E127 PolarHBondContact O-N 2.93Å
124A96.7Very high96.4Very high0 Ų033.4 Ų33.40%017%0.166CC..Iπ-helixtrans-69.3-55-173.700000112.7L4 H7 L8 L119 H126 E127 W128L4-A124 HydrophobicContact CD1-CB 3.94Å; L4-A124 WeakPolarHBondContact CD1-O 3.37Å; H7-A124 HydrophobicContact CB-CB 4.27Å; L8-A124 HydrophobicContact CD2-CB 4.19Å; L119-A124 PolarHBondContact O-N 3.02Å; L119-A124 VanDerWaalsContact O-N 3.08Å; A124-H126 VanDerWaalsContact C-N 3.33Å; A124-H126 PolarHBondContact O-N 3.3Å; A124-E127 PolarHBondContact O-N 3.45Å; A124-W128 PolarHBondContact O-N 3.39Å
125L96.7Very high96.3Very high2 Ų232.2 Ų32.21%0.0116%0.161CC..Iπ-helixtrans-66-37.9179.1-17961.8000111.6L120 W128 K129 I151 F155 S211 I214 L236L120-L125 WeakPolarHBondContact O-CB 3.44Å; L120-L125 PolarHBondContact O-N 3.43Å; L125-W128 HydrophobicContact CD1-CE3 4.42Å; L125-W128 PolarHBondContact O-N 3.34Å; L125-K129 HydrophobicContact CD1-CG 4.48Å; L125-K129 HydrophobicContact CG-CD 4.44Å; L125-K129 WeakPolarHBondContact O-CG 3.47Å; L125-K129 PolarHBondContact O-N 2.91Å; L125-I151 HydrophobicContact CD1-CG2 4.44Å; L125-F155 HydrophobicContact CB-CE2 4.5Å; L125-F155 HydrophobicContact CD2-CE2 4.1Å; L125-F155 HydrophobicContact CD2-CZ 3.9Å; L125-S211 WeakPolarHBondContact CD2-O 3.24Å; L125-I214 HydrophobicContact CD1-CG2 4.32Å; L125-I214 HydrophobicContact CD2-CG2 4.24Å; L125-L236 HydrophobicContact CD1-CD1 3.98Å
126H94.9Very high96.1Very high51 Ų5132.4 Ų32.424%0.23615%0.154CC..Hα-helixtrans-59.6-47.9175.8-175.968.7000112.2I121 D122 A124 W128 K129 R130 K390I121-H126 PolarHBondContact O-N 3.34Å; I121-H126 VanDerWaalsContact O-N 3.15Å; D122-H126 WeakPolarHBondContact O-CB 3.4Å; A124-H126 VanDerWaalsContact C-N 3.33Å; A124-H126 PolarHBondContact O-N 3.3Å; H126-W128 VanDerWaalsContact C-N 3.32Å; H126-W128 PolarHBondContact O-N 2.91Å; H126-K129 PolarHBondContact O-N 3.44Å; H126-R130 WeakPolarHBondContact O-CB 3.04Å; H126-R130 PolarHBondContact O-N 2.96Å; H126-K390 WeakPolarHBondContact CE1-CG 3.28Å
127E95.5Very high96Very high24 Ų2432.5 Ų32.511%0.11215%0.154CC..Hα-helixtrans-62.6-39177.217557.2-164.500111.7L4 E123 A124 R130 R131L4-E127 HydrophobicContact CB-CG 3.94Å; L4-E127 HydrophobicContact CD1-CB 4.33Å; L4-E127 HydrophobicContact CD1-CG 4.4Å; E123-E127 WeakPolarHBondContact O-CB 3.45Å; E123-E127 PolarHBondContact O-N 2.93Å; A124-E127 PolarHBondContact O-N 3.45Å; E127-R130 WeakPolarHBondContact O-CB 3.1Å; E127-R130 PolarHBondContact O-N 3.2Å; E127-R130 IonicContact OE1-CZ 3.13Å; E127-R130 IonicContact OE1-NE 3.14Å; E127-R130 IonicContact OE1-NH2 2.87Å; E127-R130 PolarHBondContact OE1-NH2 2.93Å; E127-R130 IonicContact OE2-CZ 2.74Å; E127-R130 IonicContact OE2-NE 3.44Å; E127-R130 PolarHBondContact OE2-NE 2.88Å; E127-R130 IonicContact OE2-NH2 3.56Å; E127-R130 PolarHBondContact OE2-NH2 3.01Å; E127-R131 WeakPolarHBondContact O-CG 3.2Å; E127-R131 PolarHBondContact O-N 2.62Å; E127-R131 IonicContact OE1-CZ 3.78Å; E127-R131 IonicContact OE1-NE 2.69Å; E127-R131 PolarHBondContact OE1-NE 2.96Å; E127-R131 IonicContact OE1-NH2 3.95Å; E127-R131 PolarHBondContact OE1-NH2 3.05Å
128W96.2Very high95.9Very high1 Ų131.1 Ų31.10%0.00415%0.154CC..Hα-helixtrans-62.1-47.4173.2-176.495.7000111.9A124 L125 H126 R130 R131 Q132 F141 E144 L148 I151 I214A124-W128 PolarHBondContact O-N 3.39Å; L125-W128 HydrophobicContact CD1-CE3 4.42Å; L125-W128 PolarHBondContact O-N 3.34Å; H126-W128 VanDerWaalsContact C-N 3.32Å; H126-W128 PolarHBondContact O-N 2.91Å; W128-R130 VanDerWaalsContact C-N 3.3Å; W128-R130 PolarHBondContact O-N 2.67Å; W128-R131 PolarHBondContact O-N 2.95Å; W128-R131 VanDerWaalsContact O-N 3.16Å; W128-Q132 HydrophobicContact CH2-CB 4.32Å; W128-Q132 HydrophobicContact CH2-CG 4.16Å; W128-Q132 VanDerWaalsContact CH2-NE2 3.27Å; W128-Q132 HydrophobicContact CZ3-CB 4.21Å; W128-Q132 HydrophobicContact CZ3-CG 4.39Å; W128-Q132 PolarHBondContact O-N 3.5Å; W128-F141 AromaticContact CD1-CZ 3.56Å; W128-F141 HydrophobicContact CG-CZ 4.14Å; W128-F141 AromaticContact NE1-CE1 3.89Å; W128-F141 AromaticContact NE1-CZ 3.58Å; W128-E144 HydrophobicContact CZ2-CG 4.01Å; W128-E144 PolarHBondContact NE1-O 2.99Å; W128-L148 HydrophobicContact CD2-CD1 3.98Å; W128-L148 HydrophobicContact CE3-CD1 4.32Å; W128-L148 HydrophobicContact CG-CD1 4.48Å; W128-L148 HydrophobicContact CH2-CD1 4.33Å; W128-L148 HydrophobicContact CH2-CD2 4.06Å; W128-L148 HydrophobicContact CZ2-CB 4.12Å; W128-L148 HydrophobicContact CZ2-CD1 4Å; W128-L148 HydrophobicContact CZ2-CD2 3.7Å; W128-L148 HydrophobicContact CZ2-CG 4.14Å; W128-L148 HydrophobicContact CZ3-CD1 4.49Å; W128-I151 HydrophobicContact CB-CD1 3.62Å; W128-I151 HydrophobicContact CG-CD1 3.94Å; W128-I214 HydrophobicContact CE3-CD1 4.3Å; W128-I214 HydrophobicContact CH2-CD1 3.93Å; W128-I214 HydrophobicContact CZ3-CD1 3.64Å
129K95.6Very high95.8Very high82 Ų8231.3 Ų31.336%0.35715%0.152SC..Hα-helixtrans-60.7-39.6176.4-75.1-178.5177.4-179.80111.6L125 H126 Q132 K133L125-K129 HydrophobicContact CD1-CG 4.48Å; L125-K129 HydrophobicContact CG-CD 4.44Å; L125-K129 WeakPolarHBondContact O-CG 3.47Å; L125-K129 PolarHBondContact O-N 2.91Å; H126-K129 PolarHBondContact O-N 3.44Å; K129-Q132 PolarHBondContact O-N 3.02Å; K129-K133 PolarHBondContact O-N 3.46Å
130R95.3Very high95.6Very high87 Ų8736.2 Ų36.233%0.32818%0.178SC..Hα-helixtrans-60.5-45174.9-169.8-165.56774.71.6111.1H126 E127 W128 K133 M134 A389H126-R130 WeakPolarHBondContact O-CB 3.04Å; H126-R130 PolarHBondContact O-N 2.96Å; E127-R130 WeakPolarHBondContact O-CB 3.1Å; E127-R130 PolarHBondContact O-N 3.2Å; E127-R130 IonicContact OE1-CZ 3.13Å; E127-R130 IonicContact OE1-NE 3.14Å; E127-R130 IonicContact OE1-NH2 2.87Å; E127-R130 PolarHBondContact OE1-NH2 2.93Å; E127-R130 IonicContact OE2-CZ 2.74Å; E127-R130 IonicContact OE2-NE 3.44Å; E127-R130 PolarHBondContact OE2-NE 2.88Å; E127-R130 IonicContact OE2-NH2 3.56Å; E127-R130 PolarHBondContact OE2-NH2 3.01Å; W128-R130 VanDerWaalsContact C-N 3.3Å; W128-R130 PolarHBondContact O-N 2.67Å; R130-K133 WeakPolarHBondContact O-CB 3.41Å; R130-K133 PolarHBondContact O-N 2.98Å; R130-M134 WeakPolarHBondContact O-CG 3.32Å; R130-M134 PolarHBondContact O-N 3.48Å; R130-A389 HydrophobicContact CB-CB 4.25Å; R130-A389 HydrophobicContact CG-CB 4.48Å
131R95.6Very high95.5Very high39 Ų3937.4 Ų37.415%0.14718%0.183CC..Hα-helixtrans-65.4-41.8176-70.1179.6-167.6-166.13.7112.4D2 E127 W128 K133 M134 A135 F141D2-R131 IonicContact OD1-CZ 2.8Å; D2-R131 VanDerWaalsContact OD1-CZ 3.29Å; D2-R131 IonicContact OD1-NH1 2.76Å; D2-R131 PolarHBondContact OD1-NH1 2.97Å; D2-R131 VanDerWaalsContact OD1-NH1 3.13Å; D2-R131 IonicContact OD1-NH2 3.75Å; D2-R131 PolarHBondContact OD1-NH2 3.17Å; D2-R131 IonicContact OD2-CZ 3.67Å; D2-R131 IonicContact OD2-NH1 3.77Å; D2-R131 PolarHBondContact OD2-NH1 2.89Å; D2-R131 IonicContact OD2-NH2 3.48Å; E127-R131 WeakPolarHBondContact O-CG 3.2Å; E127-R131 PolarHBondContact O-N 2.62Å; E127-R131 IonicContact OE1-CZ 3.78Å; E127-R131 IonicContact OE1-NE 2.69Å; E127-R131 PolarHBondContact OE1-NE 2.96Å; E127-R131 IonicContact OE1-NH2 3.95Å; E127-R131 PolarHBondContact OE1-NH2 3.05Å; W128-R131 PolarHBondContact O-N 2.95Å; W128-R131 VanDerWaalsContact O-N 3.16Å; R131-K133 VanDerWaalsContact C-N 3.28Å; R131-K133 PolarHBondContact O-N 3.4Å; R131-M134 PolarHBondContact O-N 3.34Å; R131-A135 PolarHBondContact O-N 3.45Å; R131-F141 HydrophobicContact CB-CD1 3.86Å; R131-F141 HydrophobicContact CB-CD2 4.03Å; R131-F141 HydrophobicContact CB-CE1 3.52Å; R131-F141 HydrophobicContact CB-CE2 3.72Å; R131-F141 HydrophobicContact CB-CG 4.09Å; R131-F141 HydrophobicContact CB-CZ 3.44Å; R131-F141 VanDerWaalsContact CB-CZ 3.44Å; R131-F141 HydrophobicContact CG-CE2 4.28Å; R131-F141 HydrophobicContact CG-CZ 4.34Å
132Q96.2Very high95.3Very high7 Ų742.5 Ų42.53%0.03321%0.206CC..Hα-helixtrans-58.3-42.2174.9-167.5-165.44900111.2W128 K129 A135 Q136 F141 V215 S216 Q218W128-Q132 HydrophobicContact CH2-CB 4.32Å; W128-Q132 HydrophobicContact CH2-CG 4.16Å; W128-Q132 VanDerWaalsContact CH2-NE2 3.27Å; W128-Q132 HydrophobicContact CZ3-CB 4.21Å; W128-Q132 HydrophobicContact CZ3-CG 4.39Å; W128-Q132 PolarHBondContact O-N 3.5Å; K129-Q132 PolarHBondContact O-N 3.02Å; Q132-A135 WeakPolarHBondContact O-CB 3.47Å; Q132-A135 PolarHBondContact O-N 2.96Å; Q132-Q136 PolarHBondContact O-N 3.27Å; Q132-F141 HydrophobicContact CB-CE1 4.21Å; Q132-V215 PolarHBondContact NE2-O 3.41Å; Q132-S216 PolarHBondContact NE2-O 2.71Å; Q132-Q218 HydrophobicContact CG-CG 4.28Å
133K95.5Very high95.2Very high7 Ų745.9 Ų45.93%0.0322%0.215CC..Hα-helixtrans-61.8-47.6174.4-173.6-178.867.9123.60112.1K129 R130 R131 A135 Q136 L362 H384 S387K129-K133 PolarHBondContact O-N 3.46Å; R130-K133 WeakPolarHBondContact O-CB 3.41Å; R130-K133 PolarHBondContact O-N 2.98Å; R131-K133 VanDerWaalsContact C-N 3.28Å; R131-K133 PolarHBondContact O-N 3.4Å; K133-A135 PolarHBondContact O-N 2.96Å; K133-Q136 WeakPolarHBondContact O-CB 3.33Å; K133-Q136 PolarHBondContact O-N 3.14Å; K133-Q136 VanDerWaalsContact O-N 3.11Å; K133-L362 HydrophobicContact CB-CD1 3.93Å; K133-L362 HydrophobicContact CB-CD2 4.09Å; K133-L362 HydrophobicContact CD-CD2 4.23Å; K133-L362 HydrophobicContact CG-CD1 4.09Å; K133-L362 HydrophobicContact CG-CD2 4Å; K133-H384 WeakPolarHBondContact CD-O 3.38Å; K133-H384 WeakPolarHBondContact CE-O 3.14Å; K133-H384 HydrophobicContact CG-CB 3.94Å; K133-H384 WeakPolarHBondContact CG-O 3.21Å; K133-H384 PolarHBondContact NZ-O 3.35Å; K133-S387 PolarHBondContact NZ-O 3.42Å
134M95.8Very high95.2Very high28 Ų2844.4 Ų44.414%0.13821%0.208CC..Hα-helixtrans-65.5-28.9177.6-64.8-59.8-71.400112.6R130 R131 Q136 I137 G138 L139 Y410R130-M134 WeakPolarHBondContact O-CG 3.32Å; R130-M134 PolarHBondContact O-N 3.48Å; R131-M134 PolarHBondContact O-N 3.34Å; M134-Q136 PolarHBondContact O-N 2.81Å; M134-I137 HydrophobicContact CE-CD1 3.71Å; M134-I137 HydrophobicContact CE-CG1 4.45Å; M134-I137 WeakPolarHBondContact O-CG1 3.4Å; M134-I137 PolarHBondContact O-N 3.47Å; M134-I137 VanDerWaalsContact O-N 3.15Å; M134-I137 HydrophobicContact SD-CD1 4.16Å; M134-G138 PolarHBondContact O-N 3.28Å; M134-L139 HydrophobicContact CB-CB 3.93Å; M134-L139 HydrophobicContact CB-CD2 3.57Å; M134-L139 HydrophobicContact CB-CG 4.36Å; M134-L139 HydrophobicContact CE-CD2 4.5Å; M134-L139 HydrophobicContact CG-CD2 4.24Å; M134-L139 WeakPolarHBondContact O-CB 3.5Å; M134-L139 PolarHBondContact O-N 2.69Å; M134-L139 VanDerWaalsContact O-N 3.14Å; M134-Y410 HydrophobicContact CE-CE2 4.44Å
135A95.8Very high95Very high22 Ų2247 Ų4718%0.18222%0.22CC..Hα-helixtrans-62.9-30.3174.200000112.6R131 Q132 K133 I137 G138 L139 F141R131-A135 PolarHBondContact O-N 3.45Å; Q132-A135 WeakPolarHBondContact O-CB 3.47Å; Q132-A135 PolarHBondContact O-N 2.96Å; K133-A135 PolarHBondContact O-N 2.96Å; A135-I137 PolarHBondContact O-N 3.48Å; A135-G138 PolarHBondContact O-N 2.88Å; A135-L139 WeakPolarHBondContact CA-O 3.42Å; A135-F141 HydrophobicContact CB-CB 3.98Å; A135-F141 HydrophobicContact CB-CD1 4.4Å
136Q94.9Very high94.9Very high48 Ų4851.3 Ų51.322%0.22424%0.24CC..THydrogen-bonded Turntrans-66.1-21.8176.2-60.5-54.3-6000113.5Q132 K133 M134 V221 L362 H384Q132-Q136 PolarHBondContact O-N 3.27Å; K133-Q136 WeakPolarHBondContact O-CB 3.33Å; K133-Q136 PolarHBondContact O-N 3.14Å; K133-Q136 VanDerWaalsContact O-N 3.11Å; M134-Q136 PolarHBondContact O-N 2.81Å; Q136-V221 HydrophobicContact CB-CG1 3.97Å; Q136-V221 HydrophobicContact CG-CG1 4.24Å; Q136-L362 HydrophobicContact CG-CD1 3.76Å; Q136-H384 VanDerWaalsContact CB-ND1 3.3Å; Q136-H384 WeakPolarHBondContact CB-ND1 3.21Å
137I95.1Very high95Very high2 Ų249 Ų491%0.0123%0.229CC..THydrogen-bonded Turntrans-98.43174.568.7163.6000113M134 A135 L381 H384 A385 A407 Y410 K411M134-I137 HydrophobicContact CE-CD1 3.71Å; M134-I137 HydrophobicContact CE-CG1 4.45Å; M134-I137 WeakPolarHBondContact O-CG1 3.4Å; M134-I137 PolarHBondContact O-N 3.47Å; M134-I137 VanDerWaalsContact O-N 3.15Å; M134-I137 HydrophobicContact SD-CD1 4.16Å; A135-I137 PolarHBondContact O-N 3.48Å; I137-L381 HydrophobicContact CB-CD1 3.68Å; I137-L381 HydrophobicContact CD1-CD1 4.12Å; I137-L381 HydrophobicContact CG2-CD1 3.71Å; I137-H384 HydrophobicContact CG2-CB 3.58Å; I137-A385 HydrophobicContact CD1-CB 3.91Å; I137-A407 HydrophobicContact CD1-CB 4.2Å; I137-Y410 HydrophobicContact CD1-CD2 4.35Å; I137-Y410 CarbonylContact O-C 3.54Å; I137-Y410 VanDerWaalsContact O-C 3.31Å; I137-K411 VanDerWaalsContact O-CA 3.27Å; I137-K411 WeakPolarHBondContact O-CA 3.31Å; I137-K411 PolarHBondContact O-N 3.42Å; I137-K411 VanDerWaalsContact O-N 3.17Å
138G94.7Very high95.1Very high16 Ų1647.9 Ų47.917%0.16522%0.224CC..THydrogen-bonded Turntrans102.35.6175.100000116M134 A135 L140 Y414M134-G138 PolarHBondContact O-N 3.28Å; A135-G138 PolarHBondContact O-N 2.88Å; G138-L140 PolarHBondContact O-N 3.49Å; G138-Y414 VanDerWaalsContact CA-CB 3.5Å
139L95.3Very high95.1Very high49 Ų4950.2 Ų50.226%0.25724%0.237SC..  trans-67.2133.7170.4-179.964000109.1M134 A135 F141 Y410M134-L139 HydrophobicContact CB-CB 3.93Å; M134-L139 HydrophobicContact CB-CD2 3.57Å; M134-L139 HydrophobicContact CB-CG 4.36Å; M134-L139 HydrophobicContact CE-CD2 4.5Å; M134-L139 HydrophobicContact CG-CD2 4.24Å; M134-L139 WeakPolarHBondContact O-CB 3.5Å; M134-L139 PolarHBondContact O-N 2.69Å; M134-L139 VanDerWaalsContact O-N 3.14Å; A135-L139 WeakPolarHBondContact CA-O 3.42Å; L139-F141 PolarHBondContact O-N 2.97Å; L139-Y410 HydrophobicContact CB-CD1 4.42Å; L139-Y410 HydrophobicContact CB-CD2 4.33Å; L139-Y410 HydrophobicContact CB-CG 4.25Å; L139-Y410 HydrophobicContact CD1-CD1 3.86Å; L139-Y410 HydrophobicContact CD1-CD2 4.47Å; L139-Y410 HydrophobicContact CD1-CE1 3.39Å; L139-Y410 HydrophobicContact CD1-CE2 4.07Å; L139-Y410 HydrophobicContact CD1-CG 4.39Å
140L93.4Very high95.1Very high126 Ų12649 Ų4966%0.6623%0.232SC*.  trans-67124.3178.6-175.565.6000110.2G138 E142G138-L140 PolarHBondContact O-N 3.49Å; L140-E142 HydrophobicContact CD2-CG 3.59Å; L140-E142 WeakPolarHBondContact CD2-OE1 3.49Å; L140-E142 HydrophobicContact CG-CG 3.73Å
141F94.6Very high95.2Very high26 Ų2644.8 Ų44.811%0.11422%0.217CC..  trans-108.784.3172.6-165.6179.1000110.1W128 R131 Q132 A135 L139 E144 L147W128-F141 AromaticContact CD1-CZ 3.56Å; W128-F141 HydrophobicContact CG-CZ 4.14Å; W128-F141 AromaticContact NE1-CE1 3.89Å; W128-F141 AromaticContact NE1-CZ 3.58Å; R131-F141 HydrophobicContact CB-CD1 3.86Å; R131-F141 HydrophobicContact CB-CD2 4.03Å; R131-F141 HydrophobicContact CB-CE1 3.52Å; R131-F141 HydrophobicContact CB-CE2 3.72Å; R131-F141 HydrophobicContact CB-CG 4.09Å; R131-F141 HydrophobicContact CB-CZ 3.44Å; R131-F141 VanDerWaalsContact CB-CZ 3.44Å; R131-F141 HydrophobicContact CG-CE2 4.28Å; R131-F141 HydrophobicContact CG-CZ 4.34Å; Q132-F141 HydrophobicContact CB-CE1 4.21Å; A135-F141 HydrophobicContact CB-CB 3.98Å; A135-F141 HydrophobicContact CB-CD1 4.4Å; L139-F141 PolarHBondContact O-N 2.97Å; F141-E144 HydrophobicContact CD1-CB 3.86Å; F141-E144 HydrophobicContact CD1-CG 3.72Å; F141-E144 HydrophobicContact CD2-CB 4.2Å; F141-E144 HydrophobicContact CE1-CB 4.07Å; F141-E144 HydrophobicContact CE1-CG 3.67Å; F141-E144 HydrophobicContact CE2-CB 4.39Å; F141-E144 HydrophobicContact CG-CB 3.94Å; F141-E144 HydrophobicContact CG-CG 4.33Å; F141-E144 HydrophobicContact CZ-CB 4.34Å; F141-E144 HydrophobicContact CZ-CG 4.23Å; F141-L147 HydrophobicContact CE2-CD1 3.96Å
142E92.9Very high95.3Very high129 Ų12943 Ų4360%0.60321%0.21SC*.THydrogen-bonded Turntrans-65.7137.6178.5-58.5-175150.200110.9L140 E144L140-E142 HydrophobicContact CD2-CG 3.59Å; L140-E142 WeakPolarHBondContact CD2-OE1 3.49Å; L140-E142 HydrophobicContact CG-CG 3.73Å; E142-E144 PolarHBondContact O-N 3.09Å
143R93.3Very high95.3Very high127 Ų12746 Ų4648%0.47923%0.229SC..THydrogen-bonded Turntrans57.132.5175.2-59.4178.9-69.6170.4-0.6113.9E145 E146 L147R143-E145 VanDerWaalsContact C-N 3.33Å; R143-E145 PolarHBondContact O-N 3.27Å; R143-E146 HydrophobicContact CB-CB 4.17Å; R143-E146 VanDerWaalsContact CD-OE2 3.27Å; R143-E146 WeakPolarHBondContact CD-OE2 3.32Å; R143-E146 PolarHBondContact O-N 2.95Å; R143-L147 HydrophobicContact CB-CG 4.42Å; R143-L147 WeakPolarHBondContact O-CB 3.35Å; R143-L147 WeakPolarHBondContact O-CG 3.37Å; R143-L147 PolarHBondContact O-N 3.31Å
144E94.5Very high95.3Very high59 Ų5949.5 Ų49.528%0.27624%0.242SC..Hα-helixtrans-47.9-51.7-179.8174.5176.2-171.500113W128 F141 E142 L148W128-E144 HydrophobicContact CZ2-CG 4.01Å; W128-E144 PolarHBondContact NE1-O 2.99Å; F141-E144 HydrophobicContact CD1-CB 3.86Å; F141-E144 HydrophobicContact CD1-CG 3.72Å; F141-E144 HydrophobicContact CD2-CB 4.2Å; F141-E144 HydrophobicContact CE1-CB 4.07Å; F141-E144 HydrophobicContact CE1-CG 3.67Å; F141-E144 HydrophobicContact CE2-CB 4.39Å; F141-E144 HydrophobicContact CG-CB 3.94Å; F141-E144 HydrophobicContact CG-CG 4.33Å; F141-E144 HydrophobicContact CZ-CB 4.34Å; F141-E144 HydrophobicContact CZ-CG 4.23Å; E142-E144 PolarHBondContact O-N 3.09Å; E144-L148 WeakPolarHBondContact O-CB 3.24Å; E144-L148 PolarHBondContact O-N 3.29Å
145E94Very high95.4Very high55 Ų5548.1 Ų48.126%0.25724%0.235SC..Hα-helixtrans-69.4-39.5-177.8-73.2-81.8-173.700112.4R143 L148 D149 K217 R304R143-E145 VanDerWaalsContact C-N 3.33Å; R143-E145 PolarHBondContact O-N 3.27Å; E145-L148 PolarHBondContact O-N 2.93Å; E145-D149 WeakPolarHBondContact O-CB 3.35Å; E145-D149 VanDerWaalsContact O-CG 3.24Å; E145-D149 PolarHBondContact O-N 3.5Å; E145-K217 WeakPolarHBondContact OE1-CE 3.4Å; E145-K217 IonicContact OE1-NZ 3.61Å; E145-R304 IonicContact OE1-NH1 3.65Å; E145-R304 IonicContact OE2-CZ 2.81Å; E145-R304 IonicContact OE2-NH1 3.55Å; E145-R304 PolarHBondContact OE2-NH1 3.45Å; E145-R304 IonicContact OE2-NH2 2.68Å; E145-R304 PolarHBondContact OE2-NH2 3.2Å
146E94.9Very high95.4Very high93 Ų9349.1 Ų49.144%0.43524%0.236SC..Hα-helixtrans-66.8-43.6178.1-175.3-166.2151.600111R143 L148 D149 Q150R143-E146 HydrophobicContact CB-CB 4.17Å; R143-E146 VanDerWaalsContact CD-OE2 3.27Å; R143-E146 WeakPolarHBondContact CD-OE2 3.32Å; R143-E146 PolarHBondContact O-N 2.95Å; E146-L148 VanDerWaalsContact C-N 3.33Å; E146-D149 PolarHBondContact O-N 3.39Å; E146-Q150 WeakPolarHBondContact O-CG 3.23Å; E146-Q150 PolarHBondContact O-N 3.37Å; E146-Q150 PolarHBondContact OE1-NE2 3.44Å
147L96Very high95.5Very high1 Ų150 Ų501%0.00524%0.238CC..Hα-helixtrans-65.1-38.3176-71.5169.5000111.3L4 L5 F141 R143 D149 Q150 I151L4-L147 HydrophobicContact CD2-CB 4.05Å; L4-L147 HydrophobicContact CD2-CD1 4Å; L4-L147 HydrophobicContact CD2-CD2 3.99Å; L4-L147 HydrophobicContact CD2-CG 4.24Å; L5-L147 HydrophobicContact CD2-CD2 3.97Å; F141-L147 HydrophobicContact CE2-CD1 3.96Å; R143-L147 HydrophobicContact CB-CG 4.42Å; R143-L147 WeakPolarHBondContact O-CB 3.35Å; R143-L147 WeakPolarHBondContact O-CG 3.37Å; R143-L147 PolarHBondContact O-N 3.31Å; L147-D149 VanDerWaalsContact C-N 3.35Å; L147-Q150 PolarHBondContact O-N 3.05Å; L147-I151 WeakPolarHBondContact O-CG1 3.49Å; L147-I151 PolarHBondContact O-N 2.91Å
148L97Very high95.6Very high1 Ų150 Ų501%0.00524%0.237CC..Hα-helixtrans-65.8-39174.4-172.459.3000111.8W128 E144 E145 E146 Q150 I151 A152 I214 L236W128-L148 HydrophobicContact CD2-CD1 3.98Å; W128-L148 HydrophobicContact CE3-CD1 4.32Å; W128-L148 HydrophobicContact CG-CD1 4.48Å; W128-L148 HydrophobicContact CH2-CD1 4.33Å; W128-L148 HydrophobicContact CH2-CD2 4.06Å; W128-L148 HydrophobicContact CZ2-CB 4.12Å; W128-L148 HydrophobicContact CZ2-CD1 4Å; W128-L148 HydrophobicContact CZ2-CD2 3.7Å; W128-L148 HydrophobicContact CZ2-CG 4.14Å; W128-L148 HydrophobicContact CZ3-CD1 4.49Å; E144-L148 WeakPolarHBondContact O-CB 3.24Å; E144-L148 PolarHBondContact O-N 3.29Å; E145-L148 PolarHBondContact O-N 2.93Å; E146-L148 VanDerWaalsContact C-N 3.33Å; L148-Q150 VanDerWaalsContact C-N 3.34Å; L148-I151 PolarHBondContact O-N 2.99Å; L148-A152 WeakPolarHBondContact O-CB 3.31Å; L148-A152 PolarHBondContact O-N 2.95Å; L148-I214 HydrophobicContact CD1-CD1 3.76Å; L148-I214 HydrophobicContact CD2-CD1 4.11Å; L148-L236 HydrophobicContact CD1-CD1 4.02Å; L148-L236 HydrophobicContact CD1-CD2 3.7Å; L148-L236 HydrophobicContact CD2-CD2 4.3Å; L148-L236 HydrophobicContact CG-CD2 3.92Å
149D96.1Very high95.7Very high50 Ų5049.2 Ų49.227%0.26723%0.229SC..Hα-helixtrans-64-39.5174.3-72.7-18.5000111.6E145 E146 L147 I151 A152 V153 R234 R304E145-D149 WeakPolarHBondContact O-CB 3.35Å; E145-D149 VanDerWaalsContact O-CG 3.24Å; E145-D149 PolarHBondContact O-N 3.5Å; E146-D149 PolarHBondContact O-N 3.39Å; L147-D149 VanDerWaalsContact C-N 3.35Å; D149-I151 VanDerWaalsContact C-N 3.34Å; D149-I151 PolarHBondContact O-N 3Å; D149-A152 WeakPolarHBondContact O-CB 3.47Å; D149-A152 PolarHBondContact O-N 3.42Å; D149-V153 WeakPolarHBondContact O-CG2 3.48Å; D149-V153 PolarHBondContact O-N 3Å; D149-R234 IonicContact OD1-CZ 2.74Å; D149-R234 VanDerWaalsContact OD1-CZ 3.23Å; D149-R234 IonicContact OD1-NH1 3.29Å; D149-R234 PolarHBondContact OD1-NH1 2.88Å; D149-R234 IonicContact OD1-NH2 3.44Å; D149-R234 PolarHBondContact OD1-NH2 3.43Å; D149-R304 VanDerWaalsContact CG-NH2 3.32Å; D149-R304 IonicContact OD1-CZ 3.85Å; D149-R304 IonicContact OD1-NE 2.66Å; D149-R304 PolarHBondContact OD1-NE 2.91Å; D149-R304 IonicContact OD1-NH2 3.83Å; D149-R304 PolarHBondContact OD1-NH2 3.3Å; D149-R304 IonicContact OD2-CZ 3.2Å; D149-R304 IonicContact OD2-NE 2.85Å; D149-R304 PolarHBondContact OD2-NE 3.47Å; D149-R304 IonicContact OD2-NH2 2.86Å; D149-R304 PolarHBondContact OD2-NH2 2.9Å
150Q96.1Very high95.6Very high56 Ų5650.5 Ų50.526%0.26223%0.234SC..Hα-helixtrans-60.8-43.2173.7-70.9178.342.900111.6L8 E146 L147 L148 R154L8-Q150 HydrophobicContact CD1-CB 4.1Å; E146-Q150 WeakPolarHBondContact O-CG 3.23Å; E146-Q150 PolarHBondContact O-N 3.37Å; E146-Q150 PolarHBondContact OE1-NE2 3.44Å; L147-Q150 PolarHBondContact O-N 3.05Å; L148-Q150 VanDerWaalsContact C-N 3.34Å; Q150-R154 WeakPolarHBondContact O-CG 3.43Å; Q150-R154 PolarHBondContact O-N 3.3Å
151I97.5Very high95.8Very high0 Ų045.6 Ų45.60%021%0.208CC..Hα-helixtrans-63.5-43.8173.9-68.6166.5000110.7L4 L8 L120 L125 W128 L147 L148 D149 V153 R154 F155 L236L4-I151 HydrophobicContact CD1-CD1 4.05Å; L4-I151 HydrophobicContact CD2-CD1 4.49Å; L8-I151 HydrophobicContact CD1-CG1 4.5Å; L8-I151 HydrophobicContact CD2-CG1 4Å; L120-I151 HydrophobicContact CD1-CG2 4.01Å; L125-I151 HydrophobicContact CD1-CG2 4.44Å; W128-I151 HydrophobicContact CB-CD1 3.62Å; W128-I151 HydrophobicContact CG-CD1 3.94Å; L147-I151 WeakPolarHBondContact O-CG1 3.49Å; L147-I151 PolarHBondContact O-N 2.91Å; L148-I151 PolarHBondContact O-N 2.99Å; D149-I151 VanDerWaalsContact C-N 3.34Å; D149-I151 PolarHBondContact O-N 3Å; I151-V153 VanDerWaalsContact C-N 3.35Å; I151-V153 PolarHBondContact O-N 3.46Å; I151-R154 WeakPolarHBondContact O-CA 3.48Å; I151-R154 WeakPolarHBondContact O-CB 3.44Å; I151-R154 PolarHBondContact O-N 3.4Å; I151-F155 HydrophobicContact CG2-CD2 3.74Å; I151-F155 HydrophobicContact CG2-CE2 3.7Å; I151-F155 PolarHBondContact O-N 2.93Å; I151-L236 HydrophobicContact CG2-CD1 4.31Å
152A97.2Very high95.9Very high2 Ų244.4 Ų44.42%0.01720%0.203CC..Hα-helixtrans-59.4-43.4179.100000111.9L148 D149 R154 F155 E156 L236L148-A152 WeakPolarHBondContact O-CB 3.31Å; L148-A152 PolarHBondContact O-N 2.95Å; D149-A152 WeakPolarHBondContact O-CB 3.47Å; D149-A152 PolarHBondContact O-N 3.42Å; A152-R154 PolarHBondContact O-N 3.24Å; A152-F155 WeakPolarHBondContact O-CB 3.47Å; A152-F155 PolarHBondContact O-N 2.97Å; A152-E156 WeakPolarHBondContact O-CB 3.36Å; A152-E156 WeakPolarHBondContact O-CG 3.27Å; A152-E156 PolarHBondContact O-N 2.97Å; A152-L236 HydrophobicContact CB-CB 4.31Å; A152-L236 HydrophobicContact CB-CD2 4.03Å
153V96.1Very high96Very high69 Ų6941.3 Ų41.342%0.41819%0.185SC..Hα-helixtrans-58.8-33.7174.7170.60000111.7D149 I151 Y157D149-V153 WeakPolarHBondContact O-CG2 3.48Å; D149-V153 PolarHBondContact O-N 3Å; I151-V153 VanDerWaalsContact C-N 3.35Å; I151-V153 PolarHBondContact O-N 3.46Å; V153-Y157 WeakPolarHBondContact O-CB 3.14Å; V153-Y157 PolarHBondContact O-N 3.19Å
154R97.1Very high96.1Very high80 Ų8037.8 Ų37.830%0.30218%0.178SC..Hα-helixtrans-73.1-38.3175-54.3-47.1177.4-150.1-1.1112.4L8 L11 L15 L120 Q150 I151 A152 L158L8-R154 HydrophobicContact CD2-CG 4.11Å; L11-R154 HydrophobicContact CD2-CB 3.81Å; L11-R154 HydrophobicContact CD2-CG 3.9Å; L15-R154 HydrophobicContact CD1-CB 4.14Å; L15-R154 HydrophobicContact CD1-CG 4.4Å; L120-R154 HydrophobicContact CD1-CB 3.85Å; L120-R154 HydrophobicContact CD2-CB 4.26Å; Q150-R154 WeakPolarHBondContact O-CG 3.43Å; Q150-R154 PolarHBondContact O-N 3.3Å; I151-R154 WeakPolarHBondContact O-CA 3.48Å; I151-R154 WeakPolarHBondContact O-CB 3.44Å; I151-R154 PolarHBondContact O-N 3.4Å; A152-R154 PolarHBondContact O-N 3.24Å; R154-L158 VanDerWaalsContact O-CB 3.28Å; R154-L158 WeakPolarHBondContact O-CB 3.39Å; R154-L158 PolarHBondContact O-N 3.29Å
155F97.6Very high96.2Very high0 Ų035 Ų350%017%0.165CC..Hα-helixtrans-61.9-48.3172-91.2-78.4000111.9L120 I121 L125 I151 A152 Y157 L158 A159 I208 L236 I237L120-F155 HydrophobicContact CD1-CD2 3.97Å; L120-F155 HydrophobicContact CD1-CE2 3.86Å; L120-F155 HydrophobicContact CD2-CB 4.42Å; L120-F155 HydrophobicContact CD2-CD1 3.91Å; L120-F155 HydrophobicContact CD2-CD2 3.83Å; L120-F155 HydrophobicContact CD2-CE1 4.05Å; L120-F155 HydrophobicContact CD2-CE2 3.98Å; L120-F155 HydrophobicContact CD2-CG 3.79Å; L120-F155 HydrophobicContact CD2-CZ 4.09Å; L120-F155 HydrophobicContact CG-CD2 4.03Å; L120-F155 HydrophobicContact CG-CE1 4.37Å; L120-F155 HydrophobicContact CG-CE2 3.74Å; L120-F155 HydrophobicContact CG-CG 4.46Å; L120-F155 HydrophobicContact CG-CZ 3.93Å; I121-F155 HydrophobicContact CG1-CE1 4.28Å; I121-F155 HydrophobicContact CG1-CZ 4.02Å; L125-F155 HydrophobicContact CB-CE2 4.5Å; L125-F155 HydrophobicContact CD2-CE2 4.1Å; L125-F155 HydrophobicContact CD2-CZ 3.9Å; I151-F155 HydrophobicContact CG2-CD2 3.74Å; I151-F155 HydrophobicContact CG2-CE2 3.7Å; I151-F155 PolarHBondContact O-N 2.93Å; A152-F155 WeakPolarHBondContact O-CB 3.47Å; A152-F155 PolarHBondContact O-N 2.97Å; F155-Y157 VanDerWaalsContact C-N 3.34Å; F155-Y157 PolarHBondContact O-N 3.36Å; F155-L158 PolarHBondContact O-N 2.8Å; F155-A159 WeakPolarHBondContact O-CB 3.36Å; F155-A159 PolarHBondContact O-N 3.33Å; F155-I208 HydrophobicContact CD1-CG2 3.86Å; F155-I208 HydrophobicContact CE1-CG2 4.22Å; F155-L236 HydrophobicContact CB-CB 4.14Å; F155-L236 WeakPolarHBondContact CB-O 3.32Å; F155-L236 HydrophobicContact CD2-CB 3.85Å; F155-L236 HydrophobicContact CD2-CD1 4Å; F155-L236 HydrophobicContact CE2-CB 4.48Å; F155-L236 HydrophobicContact CE2-CD1 3.92Å; F155-L236 HydrophobicContact CG-CB 4.01Å; F155-I237 HydrophobicContact CB-CG2 4.28Å; F155-I237 HydrophobicContact CD1-CG2 4.33Å
156E96.1Very high96.3Very high42 Ų4232.4 Ų32.420%0.19615%0.153CC..Hα-helixtrans-53.7-51.5175.4-80.3177.7-167.600111.2A152 A159 E160 I237 K240A152-E156 WeakPolarHBondContact O-CB 3.36Å; A152-E156 WeakPolarHBondContact O-CG 3.27Å; A152-E156 PolarHBondContact O-N 2.97Å; E156-A159 PolarHBondContact O-N 3.48Å; E156-E160 WeakPolarHBondContact O-CB 3.41Å; E156-E160 PolarHBondContact O-N 3.46Å; E156-I237 WeakPolarHBondContact CG-O 3.47Å; E156-K240 HydrophobicContact CB-CG 3.84Å; E156-K240 HydrophobicContact CG-CG 3.87Å
157Y96.1Very high96.3Very high68 Ų6829.2 Ų29.227%0.26714%0.14SC..Hα-helixtrans-63.8-49.8-179-169.3-93.5000112.4L15 C19 V153 F155 A159 E160 E161L15-Y157 HydrophobicContact CB-CD1 3.89Å; L15-Y157 HydrophobicContact CB-CE1 3.95Å; L15-Y157 HydrophobicContact CD1-CD1 4.06Å; L15-Y157 HydrophobicContact CD2-CD1 4.08Å; L15-Y157 HydrophobicContact CG-CD1 4.22Å; C19-Y157 WeakPolarHBondContact CB-OH 3.39Å; C19-Y157 PolarHBondContact SG-OH 2.74Å; V153-Y157 WeakPolarHBondContact O-CB 3.14Å; V153-Y157 PolarHBondContact O-N 3.19Å; F155-Y157 VanDerWaalsContact C-N 3.34Å; F155-Y157 PolarHBondContact O-N 3.36Å; Y157-A159 VanDerWaalsContact C-N 3.32Å; Y157-A159 PolarHBondContact O-N 2.81Å; Y157-E160 PolarHBondContact O-N 2.96Å; Y157-E161 HydrophobicContact CD1-CG 4.09Å; Y157-E161 HydrophobicContact CE1-CG 3.61Å; Y157-E161 VanDerWaalsContact CZ-OE1 3.25Å; Y157-E161 WeakPolarHBondContact O-CG 3.3Å; Y157-E161 PolarHBondContact O-N 3.46Å; Y157-E161 PolarHBondContact OH-OE1 3.45Å
158L97.6Very high96.3Very high0 Ų029.2 Ų29.20%014%0.14CC..Hα-helixtrans-61.4-42.2179.9-179.260.5000111.3L15 L18 R117 L120 R154 F155 E161 V162 I208L15-L158 HydrophobicContact CD2-CB 4.08Å; L15-L158 HydrophobicContact CD2-CD1 3.9Å; L15-L158 HydrophobicContact CD2-CG 4.49Å; L18-L158 HydrophobicContact CD2-CD1 3.67Å; R117-L158 HydrophobicContact CB-CD2 4.29Å; L120-L158 HydrophobicContact CD2-CD2 3.97Å; R154-L158 VanDerWaalsContact O-CB 3.28Å; R154-L158 WeakPolarHBondContact O-CB 3.39Å; R154-L158 PolarHBondContact O-N 3.29Å; F155-L158 PolarHBondContact O-N 2.8Å; L158-E161 PolarHBondContact O-N 2.83Å; L158-V162 HydrophobicContact CD1-CG2 4.23Å; L158-V162 HydrophobicContact CG-CG2 4.49Å; L158-V162 WeakPolarHBondContact O-CB 3.24Å; L158-V162 VanDerWaalsContact O-CG2 3.23Å; L158-V162 WeakPolarHBondContact O-CG2 3.46Å; L158-V162 PolarHBondContact O-N 2.69Å; L158-I208 HydrophobicContact CD2-CD1 3.82Å; L158-I208 HydrophobicContact CD2-CG1 4.15Å; L158-I208 HydrophobicContact CG-CD1 3.82Å
159A96Very high96.3Very high0 Ų029.2 Ų29.20%014%0.14CC..Hα-helixtrans-66.6-38.8179.200000112.5F155 E156 Y157 W163 I208 I237 L241F155-A159 WeakPolarHBondContact O-CB 3.36Å; F155-A159 PolarHBondContact O-N 3.33Å; E156-A159 PolarHBondContact O-N 3.48Å; Y157-A159 VanDerWaalsContact C-N 3.32Å; Y157-A159 PolarHBondContact O-N 2.81Å; A159-W163 VanDerWaalsContact O-CB 3.32Å; A159-W163 WeakPolarHBondContact O-CB 3.41Å; A159-W163 PolarHBondContact O-N 3.24Å; A159-I208 HydrophobicContact CB-CG2 4.28Å; A159-I237 HydrophobicContact CB-CB 4.38Å; A159-I237 HydrophobicContact CB-CG2 3.85Å; A159-L241 HydrophobicContact CB-CD1 4.17Å
160E94.7Very high96.2Very high77 Ų7729.7 Ų29.736%0.3614%0.141SC..Hα-helixtrans-63.6-44.5175.1-173.2168.9-165.200111.3E156 Y157 W163 T164 K240E156-E160 WeakPolarHBondContact O-CB 3.41Å; E156-E160 PolarHBondContact O-N 3.46Å; Y157-E160 PolarHBondContact O-N 2.96Å; E160-W163 PolarHBondContact O-N 2.92Å; E160-T164 PolarHBondContact O-N 2.92Å; E160-T164 PolarHBondContact O-OG1 3.46Å; E160-K240 IonicContact OE1-NZ 3.74Å; E160-K240 IonicContact OE2-NZ 3.74Å; E160-K240 PolarHBondContact OE2-NZ 3.48Å
161E96.1Very high96.2Very high23 Ų2332.5 Ų32.511%0.10715%0.149CC..Hα-helixtrans-65.7-44.6176.8-68.5-63.2169.800112.3L18 S22 Y157 L158 W163 T164 L165L18-E161 HydrophobicContact CD2-CB 4.05Å; L18-E161 HydrophobicContact CG-CB 4.34Å; S22-E161 WeakPolarHBondContact CB-OE2 3.41Å; S22-E161 PolarHBondContact OG-OE2 3.4Å; Y157-E161 HydrophobicContact CD1-CG 4.09Å; Y157-E161 HydrophobicContact CE1-CG 3.61Å; Y157-E161 VanDerWaalsContact CZ-OE1 3.25Å; Y157-E161 WeakPolarHBondContact O-CG 3.3Å; Y157-E161 PolarHBondContact O-N 3.46Å; Y157-E161 PolarHBondContact OH-OE1 3.45Å; L158-E161 PolarHBondContact O-N 2.83Å; E161-W163 VanDerWaalsContact C-N 3.26Å; E161-W163 PolarHBondContact O-N 3.46Å; E161-T164 PolarHBondContact O-N 3.34Å; E161-L165 VanDerWaalsContact O-CG 3.31Å; E161-L165 WeakPolarHBondContact O-CG 3.47Å; E161-L165 PolarHBondContact O-N 3.25Å
162V96.8Very high96.1Very high0 Ų032.5 Ų32.50%015%0.149CC..Hα-helixtrans-60.4-39175.4173.40000111.1V113 L158 L165 L166 L201 L205 I208V113-V162 HydrophobicContact CB-CG2 4.24Å; V113-V162 HydrophobicContact CG1-CG2 3.48Å; V113-V162 VanDerWaalsContact CG1-CG2 3.48Å; V113-V162 HydrophobicContact CG2-CG2 3.63Å; L158-V162 HydrophobicContact CD1-CG2 4.23Å; L158-V162 HydrophobicContact CG-CG2 4.49Å; L158-V162 WeakPolarHBondContact O-CB 3.24Å; L158-V162 VanDerWaalsContact O-CG2 3.23Å; L158-V162 WeakPolarHBondContact O-CG2 3.46Å; L158-V162 PolarHBondContact O-N 2.69Å; V162-L165 PolarHBondContact O-N 2.86Å; V162-L166 VanDerWaalsContact O-CB 3.31Å; V162-L166 WeakPolarHBondContact O-CB 3.47Å; V162-L166 PolarHBondContact O-N 3.26Å; V162-L201 HydrophobicContact CG1-CD2 4.48Å; V162-L205 HydrophobicContact CB-CD1 4.49Å; V162-L205 HydrophobicContact CG1-CB 3.79Å; V162-L205 HydrophobicContact CG1-CD1 4.12Å; V162-L205 HydrophobicContact CG1-CG 4.45Å; V162-I208 HydrophobicContact CG2-CD1 3.9Å
163W95.1Very high95.9Very high64 Ų6432.7 Ų32.724%0.24215%0.15CC..Hα-helixtrans-66.1-42.6176.6-175.7-103.2000112.7A159 E160 E161 L166 T167 L205 L241 M349A159-W163 VanDerWaalsContact O-CB 3.32Å; A159-W163 WeakPolarHBondContact O-CB 3.41Å; A159-W163 PolarHBondContact O-N 3.24Å; E160-W163 PolarHBondContact O-N 2.92Å; E161-W163 VanDerWaalsContact C-N 3.26Å; E161-W163 PolarHBondContact O-N 3.46Å; W163-L166 HydrophobicContact CE3-CD2 3.94Å; W163-L166 HydrophobicContact CZ3-CD2 3.8Å; W163-L166 PolarHBondContact O-N 3.38Å; W163-T167 WeakPolarHBondContact O-CB 3.38Å; W163-T167 PolarHBondContact O-N 3.21Å; W163-T167 PolarHBondContact O-OG1 2.92Å; W163-L205 HydrophobicContact CE3-CD2 3.71Å; W163-L205 HydrophobicContact CZ3-CD2 4.06Å; W163-L241 HydrophobicContact CB-CD2 4.07Å; W163-L241 HydrophobicContact CG-CD2 4.24Å; W163-M349 HydrophobicContact CD2-CE 3.97Å; W163-M349 HydrophobicContact CD2-SD 4.22Å; W163-M349 HydrophobicContact CE3-CE 3.26Å; W163-M349 HydrophobicContact CE3-SD 4.04Å; W163-M349 HydrophobicContact CH2-CB 4.41Å; W163-M349 HydrophobicContact CH2-CE 3.99Å; W163-M349 HydrophobicContact CH2-CG 3.64Å; W163-M349 HydrophobicContact CH2-SD 4.14Å; W163-M349 HydrophobicContact CZ2-CG 4.01Å; W163-M349 HydrophobicContact CZ2-SD 4.32Å; W163-M349 HydrophobicContact CZ3-CE 3.29Å; W163-M349 HydrophobicContact CZ3-CG 3.97Å; W163-M349 HydrophobicContact CZ3-SD 4.01Å
164T95.1Very high95.7Very high54 Ų5434.4 Ų34.433%0.33115%0.154SC..Hα-helixtrans-59.1-48.8173.9-65.90000111.2E160 E161 L166 T167 V168E160-T164 PolarHBondContact O-N 2.92Å; E160-T164 PolarHBondContact O-OG1 3.46Å; E161-T164 PolarHBondContact O-N 3.34Å; T164-L166 VanDerWaalsContact C-N 3.35Å; T164-L166 PolarHBondContact O-N 3.38Å; T164-T167 WeakPolarHBondContact O-CB 3.33Å; T164-T167 PolarHBondContact O-N 2.9Å; T164-V168 WeakPolarHBondContact O-CG2 3.41Å; T164-V168 PolarHBondContact O-N 3.27Å
165L97.4Very high95.4Very high0 Ų031 Ų310%014%0.141CC..Hα-helixtrans-61.4-42.3178.1-70.3167.4000112.1L18 C25 L106 V113 E161 V162 T167 V168 A169 L201L18-L165 HydrophobicContact CD1-CD1 4.02Å; C25-L165 HydrophobicContact CB-CD2 4.14Å; L106-L165 HydrophobicContact CD2-CD2 4.16Å; V113-L165 HydrophobicContact CG2-CD1 4.06Å; E161-L165 VanDerWaalsContact O-CG 3.31Å; E161-L165 WeakPolarHBondContact O-CG 3.47Å; E161-L165 PolarHBondContact O-N 3.25Å; V162-L165 PolarHBondContact O-N 2.86Å; L165-T167 VanDerWaalsContact C-N 3.29Å; L165-T167 PolarHBondContact O-N 2.94Å; L165-V168 PolarHBondContact O-N 2.98Å; L165-A169 WeakPolarHBondContact O-CB 3.42Å; L165-A169 PolarHBondContact O-N 3.2Å; L165-L201 HydrophobicContact CB-CD1 3.99Å; L165-L201 HydrophobicContact CB-CD2 4.2Å; L165-L201 HydrophobicContact CD1-CD2 4.48Å
166L96.3Very high95Very high0 Ų031.7 Ų31.70%015%0.145CC..Hα-helixtrans-60.5-41.9176.2-172.774.8000111V162 W163 T164 A169 Q170 L198 L201 T202 L205 V352V162-L166 VanDerWaalsContact O-CB 3.31Å; V162-L166 WeakPolarHBondContact O-CB 3.47Å; V162-L166 PolarHBondContact O-N 3.26Å; W163-L166 HydrophobicContact CE3-CD2 3.94Å; W163-L166 HydrophobicContact CZ3-CD2 3.8Å; W163-L166 PolarHBondContact O-N 3.38Å; T164-L166 VanDerWaalsContact C-N 3.35Å; T164-L166 PolarHBondContact O-N 3.38Å; L166-A169 PolarHBondContact O-N 3.31Å; L166-Q170 WeakPolarHBondContact O-CB 3.5Å; L166-Q170 WeakPolarHBondContact O-CG 3.33Å; L166-Q170 PolarHBondContact O-N 3.5Å; L166-L198 HydrophobicContact CD1-CD2 3.86Å; L166-L201 HydrophobicContact CB-CB 4.48Å; L166-L201 HydrophobicContact CD1-CB 3.7Å; L166-T202 WeakPolarHBondContact CD1-OG1 3.38Å; L166-L205 HydrophobicContact CD2-CD2 4.25Å; L166-V352 HydrophobicContact CD2-CG2 4.02Å
167T94.8Very high94.5Very high26 Ų2635 Ų3516%0.1616%0.16CC..Hα-helixtrans-64.3-46177.9-55.90000111.3W163 T164 L165 A169 Q170 W171W163-T167 WeakPolarHBondContact O-CB 3.38Å; W163-T167 PolarHBondContact O-N 3.21Å; W163-T167 PolarHBondContact O-OG1 2.92Å; T164-T167 WeakPolarHBondContact O-CB 3.33Å; T164-T167 PolarHBondContact O-N 2.9Å; L165-T167 VanDerWaalsContact C-N 3.29Å; L165-T167 PolarHBondContact O-N 2.94Å; T167-A169 PolarHBondContact O-N 2.94Å; T167-Q170 WeakPolarHBondContact O-CB 3.48Å; T167-Q170 PolarHBondContact O-N 3.08Å; T167-W171 HydrophobicContact CG2-CD2 3.89Å; T167-W171 HydrophobicContact CG2-CE3 4.09Å; T167-W171 HydrophobicContact CG2-CH2 3.65Å; T167-W171 HydrophobicContact CG2-CZ2 3.4Å; T167-W171 HydrophobicContact CG2-CZ3 3.98Å; T167-W171 PolarHBondContact O-N 3.02Å
168V96.4Very high93.8Very high2 Ų236.8 Ų36.81%0.01217%0.171CC..Hα-helixtrans-60.2-45176.2171.60000111.3W29 L102 L106 T164 L165 Q170 W171 F172W29-V168 HydrophobicContact CB-CG1 3.78Å; W29-V168 HydrophobicContact CG-CG1 4.18Å; L102-V168 HydrophobicContact CD1-CG1 4.21Å; L106-V168 HydrophobicContact CD2-CG1 4.34Å; T164-V168 WeakPolarHBondContact O-CG2 3.41Å; T164-V168 PolarHBondContact O-N 3.27Å; L165-V168 PolarHBondContact O-N 2.98Å; V168-Q170 VanDerWaalsContact C-N 3.31Å; V168-Q170 PolarHBondContact O-N 2.87Å; V168-W171 PolarHBondContact O-N 3.4Å; V168-F172 WeakPolarHBondContact O-CB 3.32Å; V168-F172 PolarHBondContact O-N 3.22Å
169A96.3Very high92.1Very high0 Ų041.7 Ų41.70%021%0.206CC..Hα-helixtrans-65.6-33.4177.500000112.5L106 L165 L166 T167 S173 S194 I197 L198 L201L106-A169 HydrophobicContact CD1-CB 4.27Å; L106-A169 HydrophobicContact CD2-CB 4.49Å; L165-A169 WeakPolarHBondContact O-CB 3.42Å; L165-A169 PolarHBondContact O-N 3.2Å; L166-A169 PolarHBondContact O-N 3.31Å; T167-A169 PolarHBondContact O-N 2.94Å; A169-S173 PolarHBondContact O-N 2.82Å; A169-S173 PolarHBondContact O-OG 3.49Å; A169-S194 PolarHBondContact O-OG 3.21Å; A169-I197 HydrophobicContact CB-CG2 4.29Å; A169-L198 HydrophobicContact CB-CD2 3.55Å; A169-L198 HydrophobicContact CB-CG 3.95Å; A169-L201 HydrophobicContact CB-CD1 4.37Å
170Q94.6Very high90.6Very high60 Ų6045.1 Ų45.128%0.2823%0.228SC..Hα-helixtrans-66-51.8174.7-86.7171.8-7.900110.7L166 T167 V168 F172 S173 E174 L198L166-Q170 WeakPolarHBondContact O-CB 3.5Å; L166-Q170 WeakPolarHBondContact O-CG 3.33Å; L166-Q170 PolarHBondContact O-N 3.5Å; T167-Q170 WeakPolarHBondContact O-CB 3.48Å; T167-Q170 PolarHBondContact O-N 3.08Å; V168-Q170 VanDerWaalsContact C-N 3.31Å; V168-Q170 PolarHBondContact O-N 2.87Å; Q170-F172 PolarHBondContact O-N 3.43Å; Q170-S173 WeakPolarHBondContact O-CB 3.39Å; Q170-S173 PolarHBondContact O-N 3.47Å; Q170-S173 VanDerWaalsContact O-N 3.12Å; Q170-E174 WeakPolarHBondContact O-CG 3.28Å; Q170-E174 PolarHBondContact O-N 3.13Å; Q170-L198 HydrophobicContact CB-CD2 4.4Å; Q170-L198 HydrophobicContact CG-CD1 4.44Å; Q170-L198 HydrophobicContact CG-CD2 3.63Å
171W95.1Very high89.3Confident115 Ų11550 Ų5044%0.43625%0.248SC..Hα-helixtrans-60-36.6176.8-65.4-28000112.3W29 T167 V168 E174 L175W29-W171 HydrophobicContact CD2-CB 4.42Å; W29-W171 VanDerWaalsContact CH2-C 3.49Å; W29-W171 HydrophobicContact CH2-CB 3.65Å; W29-W171 VanDerWaalsContact CH2-O 3.24Å; W29-W171 WeakPolarHBondContact CH2-O 3.2Å; W29-W171 HydrophobicContact CZ2-CB 3.41Å; W29-W171 VanDerWaalsContact CZ2-CB 3.41Å; W29-W171 HydrophobicContact CZ2-CE3 4.49Å; W29-W171 HydrophobicContact CZ2-CG 4.21Å; W29-W171 HydrophobicContact CZ3-CB 4.26Å; W29-W171 AromaticContact NE1-CE3 3.44Å; T167-W171 HydrophobicContact CG2-CD2 3.89Å; T167-W171 HydrophobicContact CG2-CE3 4.09Å; T167-W171 HydrophobicContact CG2-CH2 3.65Å; T167-W171 HydrophobicContact CG2-CZ2 3.4Å; T167-W171 HydrophobicContact CG2-CZ3 3.98Å; T167-W171 PolarHBondContact O-N 3.02Å; V168-W171 PolarHBondContact O-N 3.4Å; W171-E174 PolarHBondContact O-N 3.2Å; W171-L175 WeakPolarHBondContact O-CB 3.35Å; W171-L175 PolarHBondContact O-N 2.92Å
172F95.1Very high87.8Confident0 Ų050 Ų500%025%0.249CC..Hα-helixtrans-63.7-44.7174.5-175.4-119000112.7W29 T32 R99 L102 L103 V168 Q170 L175 L176 C190W29-F172 HydrophobicContact CE3-CB 4.14Å; W29-F172 HydrophobicContact CE3-CD2 4.26Å; W29-F172 HydrophobicContact CZ3-CB 4.14Å; W29-F172 HydrophobicContact CZ3-CD2 4.18Å; T32-F172 HydrophobicContact CG2-CE2 4.07Å; R99-F172 HydrophobicContact CB-CE2 4.4Å; R99-F172 HydrophobicContact CB-CZ 4.05Å; R99-F172 HydrophobicContact CG-CE2 3.88Å; R99-F172 HydrophobicContact CG-CZ 3.94Å; L102-F172 HydrophobicContact CD2-CB 4.18Å; L102-F172 HydrophobicContact CD2-CD1 4.36Å; L102-F172 HydrophobicContact CD2-CD2 3.52Å; L102-F172 HydrophobicContact CD2-CE2 3.97Å; L102-F172 HydrophobicContact CD2-CG 3.75Å; L103-F172 HydrophobicContact CD1-CE1 4.14Å; L103-F172 HydrophobicContact CD2-CD1 4.2Å; L103-F172 HydrophobicContact CD2-CE1 3.72Å; L103-F172 HydrophobicContact CG-CE1 3.76Å; L103-F172 HydrophobicContact CG-CZ 4.38Å; V168-F172 WeakPolarHBondContact O-CB 3.32Å; V168-F172 PolarHBondContact O-N 3.22Å; Q170-F172 PolarHBondContact O-N 3.43Å; F172-L175 PolarHBondContact O-N 3Å; F172-L176 HydrophobicContact CD1-CD1 4.21Å; F172-L176 HydrophobicContact CE1-CD1 3.73Å; F172-L176 HydrophobicContact CE1-CG 4.44Å; F172-L176 HydrophobicContact CE2-CD1 4.44Å; F172-L176 HydrophobicContact CE2-CD2 4.31Å; F172-L176 HydrophobicContact CE2-CG 4.3Å; F172-L176 HydrophobicContact CZ-CD1 3.87Å; F172-L176 HydrophobicContact CZ-CD2 4.15Å; F172-L176 HydrophobicContact CZ-CG 4.17Å; F172-L176 WeakPolarHBondContact O-CG 3.07Å; F172-L176 PolarHBondContact O-N 3.05Å; F172-C190 HydrophobicContact CE1-CB 4.48Å; F172-C190 HydrophobicContact CZ-CB 4.39Å
173S93Very high86.2Confident6 Ų656.4 Ų56.44%0.04229%0.29CS..Hα-helixtrans-61-44174.1-67.30000112.1A169 Q170 L175 L176 E177 S194 L198A169-S173 PolarHBondContact O-N 2.82Å; A169-S173 PolarHBondContact O-OG 3.49Å; Q170-S173 WeakPolarHBondContact O-CB 3.39Å; Q170-S173 PolarHBondContact O-N 3.47Å; Q170-S173 VanDerWaalsContact O-N 3.12Å; S173-L175 PolarHBondContact O-N 2.91Å; S173-L176 WeakPolarHBondContact O-CB 3.46Å; S173-L176 PolarHBondContact O-N 3.07Å; S173-E177 PolarHBondContact O-N 3.01Å; S173-S194 WeakPolarHBondContact OG-CB 3.41Å; S173-S194 PolarHBondContact OG-OG 2.81Å; S173-L198 VanDerWaalsContact OG-CD1 3.31Å; S173-L198 WeakPolarHBondContact OG-CD1 3.38Å
174E91.7Very high84.9Confident105 Ų10553.9 Ų53.949%0.49128%0.282SS..Hα-helixtrans-61.1-43.8176.4-71.4172.9-174.700111.5Q170 W171 L176 E177 Q178Q170-E174 WeakPolarHBondContact O-CG 3.28Å; Q170-E174 PolarHBondContact O-N 3.13Å; W171-E174 PolarHBondContact O-N 3.2Å; E174-L176 PolarHBondContact O-N 3.14Å; E174-E177 PolarHBondContact O-N 2.74Å; E174-Q178 WeakPolarHBondContact O-CG 3.44Å; E174-Q178 PolarHBondContact O-N 3.49Å
175L91.3Very high83.9Confident9 Ų960.3 Ų60.35%0.04731%0.308CS..Hα-helixtrans-59.4-33.6177.3-174.369.9000112.5W29 T32 Q36 W171 F172 S173W29-L175 HydrophobicContact CE3-CD2 4.45Å; W29-L175 HydrophobicContact CH2-CB 3.8Å; W29-L175 HydrophobicContact CH2-CD2 3.94Å; W29-L175 HydrophobicContact CH2-CG 4.27Å; W29-L175 HydrophobicContact CZ3-CB 3.79Å; W29-L175 HydrophobicContact CZ3-CD2 3.49Å; W29-L175 VanDerWaalsContact CZ3-CD2 3.49Å; W29-L175 HydrophobicContact CZ3-CG 4.18Å; T32-L175 HydrophobicContact CG2-CD2 4.34Å; Q36-L175 HydrophobicContact CB-CD2 4.35Å; Q36-L175 HydrophobicContact CG-CD1 4.3Å; Q36-L175 HydrophobicContact CG-CG 4.5Å; Q36-L175 PolarHBondContact NE2-O 2.92Å; W171-L175 WeakPolarHBondContact O-CB 3.35Å; W171-L175 PolarHBondContact O-N 2.92Å; F172-L175 PolarHBondContact O-N 3Å; S173-L175 PolarHBondContact O-N 2.91Å
176L89.7Confident83.2Confident14 Ų1461 Ų617%0.07331%0.311CS..Hα-helixtrans-73.9-26.9176.6-67.6174000112.9F172 S173 E174 V187 C190 H191F172-L176 HydrophobicContact CD1-CD1 4.21Å; F172-L176 HydrophobicContact CE1-CD1 3.73Å; F172-L176 HydrophobicContact CE1-CG 4.44Å; F172-L176 HydrophobicContact CE2-CD1 4.44Å; F172-L176 HydrophobicContact CE2-CD2 4.31Å; F172-L176 HydrophobicContact CE2-CG 4.3Å; F172-L176 HydrophobicContact CZ-CD1 3.87Å; F172-L176 HydrophobicContact CZ-CD2 4.15Å; F172-L176 HydrophobicContact CZ-CG 4.17Å; F172-L176 WeakPolarHBondContact O-CG 3.07Å; F172-L176 PolarHBondContact O-N 3.05Å; S173-L176 WeakPolarHBondContact O-CB 3.46Å; S173-L176 PolarHBondContact O-N 3.07Å; E174-L176 PolarHBondContact O-N 3.14Å; L176-V187 HydrophobicContact CB-CG1 4.24Å; L176-V187 HydrophobicContact CD2-CG1 4.48Å; L176-V187 HydrophobicContact CD2-CG2 4.27Å; L176-V187 WeakPolarHBondContact O-CG1 3.1Å; L176-C190 HydrophobicContact CD1-CB 3.73Å; L176-C190 HydrophobicContact CD2-CB 4.16Å; L176-H191 HydrophobicContact CD1-CB 4.16Å
177E86.5Confident82.7Confident111 Ų11162.1 Ų62.152%0.51932%0.318SS..Hα-helixtrans-90-17.3180-68.9-179.1-175.300113.6S173 E174 H191S173-E177 PolarHBondContact O-N 3.01Å; E174-E177 PolarHBondContact O-N 2.74Å; E177-H191 IonicContact OE1-CD2 2.66Å; E177-H191 IonicContact OE1-CE1 2.79Å; E177-H191 IonicContact OE1-NE2 3.36Å; E177-H191 PolarHBondContact OE1-NE2 2.87Å
178Q79.9Confident82.3Confident106 Ų10665.1 Ų65.150%0.49534%0.338SS..PPolyproline II helixtrans-58.8145.3-178.1-82.9178.321.700113.3E174E174-Q178 WeakPolarHBondContact O-CG 3.44Å; E174-Q178 PolarHBondContact O-N 3.49Å
179S61.7Low82Confident104 Ų10471.8 Ų71.873%0.72737%0.369SS*.SBendtrans-83144.9174.5-71.70000111.6
180P65.5Low81.8Confident72 Ų7272 Ų7247%0.46837%0.371SS..SBendcis-75.2137.83.829.6-33.3000112.4L182P180-L182 PolarHBondContact O-N 3.29Å
181K66.3Low81.6Confident180 Ų18071.4 Ų71.478%0.78337%0.368SS*.  trans-59.4105.2172.1-74.9-172.1178.6-177.30108.4
182L65.5Low81.5Confident22 Ų2268.3 Ų68.312%0.11537%0.366CS..  trans-60.3135.6179.2-60.7173.1000108.1F39 I40 L43 P180 D184F39-L182 HydrophobicContact CD1-CD1 4.03Å; F39-L182 HydrophobicContact CD1-CD2 3.94Å; F39-L182 HydrophobicContact CE1-CD1 4.08Å; F39-L182 HydrophobicContact CE1-CD2 3.73Å; F39-L182 HydrophobicContact CE1-CG 4.41Å; I40-L182 HydrophobicContact CG1-CD2 4.47Å; L43-L182 HydrophobicContact CD1-CD2 3.41Å; L43-L182 VanDerWaalsContact CD1-CD2 3.41Å; P180-L182 PolarHBondContact O-N 3.29Å; L182-D184 HydrophobicContact CB-CB 3.79Å; L182-D184 PolarHBondContact O-N 2.99Å
183P62.3Low81.5Confident134 Ų13469 Ų6987%0.8737%0.372SS*.  trans-73.465.3171.431.7-32.8000108.5
184D69.1Low81.6Confident12 Ų1268.7 Ų68.76%0.06437%0.37CS..  trans-120.9111.7-167.3179.8-2.5000108.4Y92 R99 L182 N186 V187Y92-D184 HydrophobicContact CE2-CB 4.19Å; Y92-D184 VanDerWaalsContact CE2-CG 3.49Å; Y92-D184 WeakPolarHBondContact CE2-OD2 3.5Å; Y92-D184 VanDerWaalsContact OH-CG 3.26Å; Y92-D184 PolarHBondContact OH-OD1 3.29Å; R99-D184 IonicContact CZ-OD2 3.96Å; R99-D184 IonicContact NH1-OD2 2.79Å; R99-D184 PolarHBondContact NH1-OD2 3.4Å; L182-D184 HydrophobicContact CB-CB 3.79Å; L182-D184 PolarHBondContact O-N 2.99Å; D184-N186 PolarHBondContact O-N 3.15Å; D184-N186 WeakPolarHBondContact OD1-CA 3.18Å; D184-N186 WeakPolarHBondContact OD1-CB 3.25Å; D184-N186 PolarHBondContact OD1-N 2.82Å; D184-V187 HydrophobicContact CB-CG2 3.78Å; D184-V187 PolarHBondContact O-N 2.66Å; D184-V187 WeakPolarHBondContact OD2-CG2 3.37Å
185Q73.8Confident81.7Confident189 Ų18967.4 Ų67.488%0.88336%0.364SS*.THydrogen-bonded Turntrans-67.2-16.1179.5-63.2-175.89.700112.7
186N82.3Confident82Confident13 Ų1373.4 Ų73.47%0.0739%0.392CS..THydrogen-bonded Turntrans-82.9-26.5179.2-17132000113.1F96 D184 Q189 C190F96-N186 HydrophobicContact CD2-CB 3.86Å; F96-N186 WeakPolarHBondContact CD2-ND2 3.43Å; F96-N186 HydrophobicContact CE2-CB 3.83Å; F96-N186 VanDerWaalsContact CE2-ND2 3.27Å; F96-N186 WeakPolarHBondContact CE2-ND2 3.5Å; D184-N186 PolarHBondContact O-N 3.15Å; D184-N186 WeakPolarHBondContact OD1-CA 3.18Å; D184-N186 WeakPolarHBondContact OD1-CB 3.25Å; D184-N186 PolarHBondContact OD1-N 2.82Å; N186-Q189 PolarHBondContact O-N 3.05Å; N186-Q189 VanDerWaalsContact O-N 3.1Å; N186-C190 VanDerWaalsContact CG-SG 3.59Å; N186-C190 PolarHBondContact ND2-SG 3.38Å; N186-C190 VanDerWaalsContact ND2-SG 3.38Å; N186-C190 PolarHBondContact O-N 2.93Å; N186-C190 PolarHBondContact OD1-SG 2.91Å; N186-C190 VanDerWaalsContact OD1-SG 3.41Å
187V86.1Confident82.4Confident25 Ų2573.1 Ų73.115%0.15239%0.39CS..Hα-helixtrans-55.6-47.3-177.2168.40000112.4L176 D184 Q189 C190 H191L176-V187 HydrophobicContact CB-CG1 4.24Å; L176-V187 HydrophobicContact CD2-CG1 4.48Å; L176-V187 HydrophobicContact CD2-CG2 4.27Å; L176-V187 WeakPolarHBondContact O-CG1 3.1Å; D184-V187 HydrophobicContact CB-CG2 3.78Å; D184-V187 PolarHBondContact O-N 2.66Å; D184-V187 WeakPolarHBondContact OD2-CG2 3.37Å; V187-Q189 VanDerWaalsContact C-N 3.3Å; V187-Q189 PolarHBondContact O-N 2.71Å; V187-C190 PolarHBondContact O-N 3.46Å; V187-H191 VanDerWaalsContact O-CB 3.23Å; V187-H191 WeakPolarHBondContact O-CB 3.34Å; V187-H191 PolarHBondContact O-N 3.27Å
188P87.1Confident82.8Confident89 Ų8968.7 Ų68.758%0.57837%0.37SS*.Hα-helixtrans-59.4-38.5177.4-24.634.6000113.5A192P188-A192 WeakPolarHBondContact O-CB 3.35Å; P188-A192 PolarHBondContact O-N 2.82Å
189Q88.7Confident83.6Confident142 Ų14266.7 Ų66.766%0.66437%0.368SS*.Hα-helixtrans-70.8-45.1179.1-174177.518.400111.6N186 V187 H191 A192 A193N186-Q189 PolarHBondContact O-N 3.05Å; N186-Q189 VanDerWaalsContact O-N 3.1Å; V187-Q189 VanDerWaalsContact C-N 3.3Å; V187-Q189 PolarHBondContact O-N 2.71Å; Q189-H191 VanDerWaalsContact C-N 3.32Å; Q189-H191 PolarHBondContact O-N 3.39Å; Q189-A192 PolarHBondContact O-N 3.06Å; Q189-A193 WeakPolarHBondContact O-CB 3.39Å; Q189-A193 PolarHBondContact O-N 3.31Å
190C91.7Very high85.4Confident4 Ų463.2 Ų63.23%0.02735%0.346CS..Hα-helixtrans-61.9-41.4175.3-74.20000111.8L103 F172 L176 N186 V187 A193 S194L103-C190 HydrophobicContact CD1-CB 3.98Å; F172-C190 HydrophobicContact CE1-CB 4.48Å; F172-C190 HydrophobicContact CZ-CB 4.39Å; L176-C190 HydrophobicContact CD1-CB 3.73Å; L176-C190 HydrophobicContact CD2-CB 4.16Å; N186-C190 VanDerWaalsContact CG-SG 3.59Å; N186-C190 PolarHBondContact ND2-SG 3.38Å; N186-C190 VanDerWaalsContact ND2-SG 3.38Å; N186-C190 PolarHBondContact O-N 2.93Å; N186-C190 PolarHBondContact OD1-SG 2.91Å; N186-C190 VanDerWaalsContact OD1-SG 3.41Å; V187-C190 PolarHBondContact O-N 3.46Å; C190-A193 PolarHBondContact O-N 3.16Å; C190-S194 WeakPolarHBondContact O-CB 3.22Å; C190-S194 PolarHBondContact O-N 2.96Å
191H91.1Very high86.9Confident48 Ų4859.9 Ų59.922%0.22232%0.324CS..Hα-helixtrans-64.2-48.7179.1-176.3-88.1000111L176 E177 V187 Q189 A193 S194 Q195L176-H191 HydrophobicContact CD1-CB 4.16Å; E177-H191 IonicContact OE1-CD2 2.66Å; E177-H191 IonicContact OE1-CE1 2.79Å; E177-H191 IonicContact OE1-NE2 3.36Å; E177-H191 PolarHBondContact OE1-NE2 2.87Å; V187-H191 VanDerWaalsContact O-CB 3.23Å; V187-H191 WeakPolarHBondContact O-CB 3.34Å; V187-H191 PolarHBondContact O-N 3.27Å; Q189-H191 VanDerWaalsContact C-N 3.32Å; Q189-H191 PolarHBondContact O-N 3.39Å; H191-A193 VanDerWaalsContact C-N 3.3Å; H191-A193 PolarHBondContact O-N 2.94Å; H191-S194 PolarHBondContact O-N 3.33Å; H191-S194 VanDerWaalsContact O-N 3.12Å; H191-Q195 WeakPolarHBondContact O-CG 3.31Å; H191-Q195 PolarHBondContact O-N 3.46Å
192A92.7Very high88.3Confident49 Ų4952.3 Ų52.341%0.40529%0.292SS..Hα-helixtrans-57.6-42.3175.800000112.4P188 Q189 Q196P188-A192 WeakPolarHBondContact O-CB 3.35Å; P188-A192 PolarHBondContact O-N 2.82Å; Q189-A192 PolarHBondContact O-N 3.06Å; A192-Q196 WeakPolarHBondContact O-CG 3.43Å; A192-Q196 PolarHBondContact O-N 2.91Å; A192-Q196 VanDerWaalsContact O-N 3.16Å
193A94.9Very high89.8Confident14 Ų1455 Ų5512%0.11631%0.307CS..Hα-helixtrans-66-41.5175.900000112.5L103 Q189 C190 H191 Q196 I197L103-A193 HydrophobicContact CD1-CB 4.14Å; L103-A193 HydrophobicContact CD2-CB 4.05Å; Q189-A193 WeakPolarHBondContact O-CB 3.39Å; Q189-A193 PolarHBondContact O-N 3.31Å; C190-A193 PolarHBondContact O-N 3.16Å; H191-A193 VanDerWaalsContact C-N 3.3Å; H191-A193 PolarHBondContact O-N 2.94Å; A193-Q196 PolarHBondContact O-N 2.85Å; A193-I197 WeakPolarHBondContact O-CG1 3.17Å; A193-I197 PolarHBondContact O-N 2.9Å; A193-I197 VanDerWaalsContact O-N 3.11Å
194S94.9Very high91.4Very high0 Ų050 Ų500%027%0.272CS..Hα-helixtrans-63.2-41.8177.1-1660000111.7A169 S173 C190 H191 Q196 I197 L198A169-S194 PolarHBondContact O-OG 3.21Å; S173-S194 WeakPolarHBondContact OG-CB 3.41Å; S173-S194 PolarHBondContact OG-OG 2.81Å; C190-S194 WeakPolarHBondContact O-CB 3.22Å; C190-S194 PolarHBondContact O-N 2.96Å; H191-S194 PolarHBondContact O-N 3.33Å; H191-S194 VanDerWaalsContact O-N 3.12Å; S194-Q196 PolarHBondContact O-N 3.42Å; S194-I197 PolarHBondContact O-N 3.2Å; S194-L198 WeakPolarHBondContact O-CB 3.43Å; S194-L198 WeakPolarHBondContact O-CG 3.48Å; S194-L198 PolarHBondContact O-N 3.05Å
195Q95.5Very high92.7Very high78 Ų7849.4 Ų49.436%0.36427%0.269SS..Hα-helixtrans-64.2-38.3176.8-68.9-60.8-29.400112.6H191 L198 S199H191-Q195 WeakPolarHBondContact O-CG 3.31Å; H191-Q195 PolarHBondContact O-N 3.46Å; Q195-L198 PolarHBondContact O-N 3.29Å; Q195-S199 PolarHBondContact O-N 3.42Å
196Q96.9Very high93.8Very high136 Ų13644.6 Ų44.664%0.63624%0.243SC*.Hα-helixtrans-62.8-43.6173.3-72.1174.17.600111.8A192 A193 S194 S199 A200A192-Q196 WeakPolarHBondContact O-CG 3.43Å; A192-Q196 PolarHBondContact O-N 2.91Å; A192-Q196 VanDerWaalsContact O-N 3.16Å; A193-Q196 PolarHBondContact O-N 2.85Å; S194-Q196 PolarHBondContact O-N 3.42Å; Q196-S199 PolarHBondContact O-N 3.28Å; Q196-A200 PolarHBondContact O-N 3.39Å
197I97.3Very high94.4Very high7 Ų745.6 Ų45.64%0.03625%0.253CS..Hα-helixtrans-63.5-43.3176.8-67.5164.5000110.6L103 L106 K107 V110 A169 A193 S194 S199 A200 L201L103-I197 HydrophobicContact CD2-CD1 3.76Å; L106-I197 HydrophobicContact CB-CD1 3.95Å; L106-I197 HydrophobicContact CB-CG2 4.14Å; K107-I197 HydrophobicContact CG-CD1 3.83Å; K107-I197 HydrophobicContact CG-CG1 4.08Å; V110-I197 HydrophobicContact CG2-CG2 4.16Å; A169-I197 HydrophobicContact CB-CG2 4.29Å; A193-I197 WeakPolarHBondContact O-CG1 3.17Å; A193-I197 PolarHBondContact O-N 2.9Å; A193-I197 VanDerWaalsContact O-N 3.11Å; S194-I197 PolarHBondContact O-N 3.2Å; I197-S199 PolarHBondContact O-N 2.9Å; I197-A200 PolarHBondContact O-N 3Å; I197-L201 HydrophobicContact CG2-CD1 3.78Å; I197-L201 HydrophobicContact CG2-CG 4.31Å; I197-L201 WeakPolarHBondContact O-CB 2.95Å; I197-L201 WeakPolarHBondContact O-CG 3.38Å; I197-L201 PolarHBondContact O-N 3.23Å
198L96.6Very high94.9Very high18 Ų1844.4 Ų44.49%0.09425%0.245CC..Hα-helixtrans-59.8-45.2176.5-79.9174.3000112.4L166 A169 Q170 S173 S194 Q195 T202L166-L198 HydrophobicContact CD1-CD2 3.86Å; A169-L198 HydrophobicContact CB-CD2 3.55Å; A169-L198 HydrophobicContact CB-CG 3.95Å; Q170-L198 HydrophobicContact CB-CD2 4.4Å; Q170-L198 HydrophobicContact CG-CD1 4.44Å; Q170-L198 HydrophobicContact CG-CD2 3.63Å; S173-L198 VanDerWaalsContact OG-CD1 3.31Å; S173-L198 WeakPolarHBondContact OG-CD1 3.38Å; S194-L198 WeakPolarHBondContact O-CB 3.43Å; S194-L198 WeakPolarHBondContact O-CG 3.48Å; S194-L198 PolarHBondContact O-N 3.05Å; Q195-L198 PolarHBondContact O-N 3.29Å; L198-T202 VanDerWaalsContact O-CB 3.32Å; L198-T202 WeakPolarHBondContact O-CB 3.28Å; L198-T202 PolarHBondContact O-N 2.93Å; L198-T202 PolarHBondContact O-OG1 3.27Å
199S96.7Very high95.3Very high64 Ų6440.1 Ų40.145%0.44822%0.218SC..Hα-helixtrans-59.1-50174.9-169.30000110.7Q195 Q196 I197 L201 T202 D203Q195-S199 PolarHBondContact O-N 3.42Å; Q196-S199 PolarHBondContact O-N 3.28Å; I197-S199 PolarHBondContact O-N 2.9Å; S199-L201 PolarHBondContact O-N 3.3Å; S199-T202 WeakPolarHBondContact O-CB 3.44Å; S199-T202 PolarHBondContact O-N 3.1Å; S199-D203 VanDerWaalsContact O-CG 3.29Å; S199-D203 PolarHBondContact O-N 3.48Å
200A97.6Very high95.6Very high32 Ų3235.9 Ų35.926%0.26420%0.198SC..Hα-helixtrans-60.1-48.9-179.100000112.3V110 Q196 I197 T202 D203 E204V110-A200 HydrophobicContact CG1-CB 4.06Å; Q196-A200 PolarHBondContact O-N 3.39Å; I197-A200 PolarHBondContact O-N 3Å; A200-T202 VanDerWaalsContact C-N 3.29Å; A200-T202 PolarHBondContact O-N 2.98Å; A200-D203 PolarHBondContact O-N 2.67Å; A200-E204 WeakPolarHBondContact O-CB 3.48Å; A200-E204 VanDerWaalsContact O-CG 3.3Å; A200-E204 WeakPolarHBondContact O-CG 3.32Å; A200-E204 PolarHBondContact O-N 2.71Å
201L97.5Very high95.8Very high1 Ų137.6 Ų37.61%0.00521%0.21CC..Hα-helixtrans-62.9-36.2177.6-71.8171.5000112.3V110 V162 L165 L166 A169 I197 S199 L205V110-L201 HydrophobicContact CG2-CD2 3.75Å; V110-L201 HydrophobicContact CG2-CG 3.84Å; V162-L201 HydrophobicContact CG1-CD2 4.48Å; L165-L201 HydrophobicContact CB-CD1 3.99Å; L165-L201 HydrophobicContact CB-CD2 4.2Å; L165-L201 HydrophobicContact CD1-CD2 4.48Å; L166-L201 HydrophobicContact CB-CB 4.48Å; L166-L201 HydrophobicContact CD1-CB 3.7Å; A169-L201 HydrophobicContact CB-CD1 4.37Å; I197-L201 HydrophobicContact CG2-CD1 3.78Å; I197-L201 HydrophobicContact CG2-CG 4.31Å; I197-L201 WeakPolarHBondContact O-CB 2.95Å; I197-L201 WeakPolarHBondContact O-CG 3.38Å; I197-L201 PolarHBondContact O-N 3.23Å; S199-L201 PolarHBondContact O-N 3.3Å; L201-L205 WeakPolarHBondContact O-CB 3.27Å; L201-L205 PolarHBondContact O-N 3.08Å
202T96.8Very high96.1Very high21 Ų2135.3 Ų35.313%0.12920%0.199CC..Hα-helixtrans-65.5-44.5176.4-57.10000111L166 L198 S199 A200 L205 R206 V352L166-T202 WeakPolarHBondContact CD1-OG1 3.38Å; L198-T202 VanDerWaalsContact O-CB 3.32Å; L198-T202 WeakPolarHBondContact O-CB 3.28Å; L198-T202 PolarHBondContact O-N 2.93Å; L198-T202 PolarHBondContact O-OG1 3.27Å; S199-T202 WeakPolarHBondContact O-CB 3.44Å; S199-T202 PolarHBondContact O-N 3.1Å; A200-T202 VanDerWaalsContact C-N 3.29Å; A200-T202 PolarHBondContact O-N 2.98Å; T202-L205 PolarHBondContact O-N 2.93Å; T202-R206 VanDerWaalsContact CG2-CZ 3.46Å; T202-R206 WeakPolarHBondContact O-CG 3.49Å; T202-R206 PolarHBondContact O-N 3.24Å; T202-V352 HydrophobicContact CG2-CB 4.46Å; T202-V352 HydrophobicContact CG2-CG1 3.86Å; T202-V352 HydrophobicContact CG2-CG2 3.83Å
203D96.4Very high96.3Very high78 Ų7833.1 Ų33.142%0.41718%0.181SC..Hα-helixtrans-66.6-40.3179-66.6-27.4000111.5S199 A200 R206 A207S199-D203 VanDerWaalsContact O-CG 3.29Å; S199-D203 PolarHBondContact O-N 3.48Å; A200-D203 PolarHBondContact O-N 2.67Å; D203-R206 PolarHBondContact O-N 3.01Å; D203-R206 IonicContact OD1-NH1 3.55Å; D203-R206 PolarHBondContact OD1-NH1 3.16Å; D203-A207 WeakPolarHBondContact O-CB 3.49Å; D203-A207 PolarHBondContact O-N 3.28Å
204E96.7Very high96.4Very high29 Ų2932.6 Ų32.614%0.13618%0.176CC..Hα-helixtrans-63.2-43.7173.9-71.4-60.6137.600111.9V113 V114 R117 A200 R206 A207 I208V113-E204 HydrophobicContact CG1-CB 3.89Å; V113-E204 HydrophobicContact CG1-CG 4.1Å; V114-E204 HydrophobicContact CG2-CG 4.18Å; R117-E204 WeakPolarHBondContact CD-OE2 3.31Å; R117-E204 IonicContact CZ-OE2 2.74Å; R117-E204 IonicContact NE-OE1 2.73Å; R117-E204 IonicContact NE-OE2 3.71Å; R117-E204 PolarHBondContact NE-OE2 3.04Å; R117-E204 IonicContact NH2-OE1 3.62Å; R117-E204 IonicContact NH2-OE2 3.62Å; A200-E204 WeakPolarHBondContact O-CB 3.48Å; A200-E204 VanDerWaalsContact O-CG 3.3Å; A200-E204 WeakPolarHBondContact O-CG 3.32Å; A200-E204 PolarHBondContact O-N 2.71Å; E204-R206 PolarHBondContact O-N 2.89Å; E204-A207 PolarHBondContact O-N 3.13Å; E204-I208 WeakPolarHBondContact O-CD1 3.47Å; E204-I208 VanDerWaalsContact O-CG1 3.24Å; E204-I208 WeakPolarHBondContact O-CG1 3.38Å; E204-I208 PolarHBondContact O-N 3.16Å
205L96.1Very high96.5Very high0 Ų032.9 Ų32.90%018%0.177CC..Hα-helixtrans-61.3-43.8175.8-175.761.6000111.6V162 W163 L166 L201 T202 I208 V209 L241 M349 F354V162-L205 HydrophobicContact CB-CD1 4.49Å; V162-L205 HydrophobicContact CG1-CB 3.79Å; V162-L205 HydrophobicContact CG1-CD1 4.12Å; V162-L205 HydrophobicContact CG1-CG 4.45Å; W163-L205 HydrophobicContact CE3-CD2 3.71Å; W163-L205 HydrophobicContact CZ3-CD2 4.06Å; L166-L205 HydrophobicContact CD2-CD2 4.25Å; L201-L205 WeakPolarHBondContact O-CB 3.27Å; L201-L205 PolarHBondContact O-N 3.08Å; T202-L205 PolarHBondContact O-N 2.93Å; L205-I208 PolarHBondContact O-N 3.43Å; L205-V209 HydrophobicContact CD1-CG2 4.37Å; L205-V209 VanDerWaalsContact O-CG2 3.31Å; L205-V209 WeakPolarHBondContact O-CG2 3.29Å; L205-V209 PolarHBondContact O-N 3.08Å; L205-L241 HydrophobicContact CD1-CD1 4.42Å; L205-M349 HydrophobicContact CD2-CE 3.74Å; L205-F354 HydrophobicContact CD2-CZ 4.03Å; L205-F354 HydrophobicContact CG-CE1 4.28Å; L205-F354 HydrophobicContact CG-CZ 4.02Å
206R95.4Very high96.6Very high88 Ų8829.2 Ų29.233%0.33216%0.161SC..Hα-helixtrans-58.5-51173.3-72-179.5-170.3120.4-0.9110.6T202 D203 E204 I208 V209 H210 V352 F354T202-R206 VanDerWaalsContact CG2-CZ 3.46Å; T202-R206 WeakPolarHBondContact O-CG 3.49Å; T202-R206 PolarHBondContact O-N 3.24Å; D203-R206 PolarHBondContact O-N 3.01Å; D203-R206 IonicContact OD1-NH1 3.55Å; D203-R206 PolarHBondContact OD1-NH1 3.16Å; E204-R206 PolarHBondContact O-N 2.89Å; R206-I208 VanDerWaalsContact C-N 3.27Å; R206-I208 PolarHBondContact O-N 3.14Å; R206-V209 PolarHBondContact O-N 3.06Å; R206-V209 VanDerWaalsContact O-N 3.16Å; R206-H210 WeakPolarHBondContact O-CB 3.32Å; R206-H210 PolarHBondContact O-CD2 3Å; R206-H210 PolarHBondContact O-N 2.86Å; R206-V352 HydrophobicContact CG-CG1 4.11Å; R206-F354 HydrophobicContact CG-CD1 4.33Å; R206-F354 HydrophobicContact CG-CE1 4.18Å
207A95.3Very high96.6Very high34 Ų3427.4 Ų27.428%0.28115%0.151SC..Hα-helixtrans-57-41.4-179.500000112.4D203 E204 S211D203-A207 WeakPolarHBondContact O-CB 3.49Å; D203-A207 PolarHBondContact O-N 3.28Å; E204-A207 PolarHBondContact O-N 3.13Å; A207-S211 VanDerWaalsContact O-CB 3.25Å; A207-S211 WeakPolarHBondContact O-CB 3.08Å; A207-S211 PolarHBondContact O-N 3.24Å; A207-S211 PolarHBondContact O-OG 2.89Å
208I96.6Very high96.6Very high0 Ų028.4 Ų28.40%016%0.155CC..Hα-helixtrans-63.1-51.8175.6-68.4160.7000110.7R117 F155 L158 A159 V162 E204 L205 R206 S211 S212 I237R117-I208 HydrophobicContact CG-CG1 4.03Å; F155-I208 HydrophobicContact CD1-CG2 3.86Å; F155-I208 HydrophobicContact CE1-CG2 4.22Å; L158-I208 HydrophobicContact CD2-CD1 3.82Å; L158-I208 HydrophobicContact CD2-CG1 4.15Å; L158-I208 HydrophobicContact CG-CD1 3.82Å; A159-I208 HydrophobicContact CB-CG2 4.28Å; V162-I208 HydrophobicContact CG2-CD1 3.9Å; E204-I208 WeakPolarHBondContact O-CD1 3.47Å; E204-I208 VanDerWaalsContact O-CG1 3.24Å; E204-I208 WeakPolarHBondContact O-CG1 3.38Å; E204-I208 PolarHBondContact O-N 3.16Å; L205-I208 PolarHBondContact O-N 3.43Å; R206-I208 VanDerWaalsContact C-N 3.27Å; R206-I208 PolarHBondContact O-N 3.14Å; I208-S211 PolarHBondContact O-N 3.3Å; I208-S212 VanDerWaalsContact O-CB 3.22Å; I208-S212 WeakPolarHBondContact O-CB 3.22Å; I208-S212 PolarHBondContact O-N 2.98Å; I208-I237 HydrophobicContact CG2-CG2 4.14Å
209V95.5Very high96.5Very high0 Ų027.7 Ų27.70%015%0.152CC..Hα-helixtrans-61.9-48-178.3174.30000111.2L205 R206 S211 S212 F213 I237 F347 F354 V357L205-V209 HydrophobicContact CD1-CG2 4.37Å; L205-V209 VanDerWaalsContact O-CG2 3.31Å; L205-V209 WeakPolarHBondContact O-CG2 3.29Å; L205-V209 PolarHBondContact O-N 3.08Å; R206-V209 PolarHBondContact O-N 3.06Å; R206-V209 VanDerWaalsContact O-N 3.16Å; V209-S211 PolarHBondContact O-N 3.39Å; V209-S212 PolarHBondContact O-N 2.89Å; V209-S212 PolarHBondContact O-OG 3.14Å; V209-F213 PolarHBondContact O-N 3.49Å; V209-I237 HydrophobicContact CG1-CD1 4.44Å; V209-I237 HydrophobicContact CG2-CD1 4.03Å; V209-F347 HydrophobicContact CG1-CZ 3.96Å; V209-F354 HydrophobicContact CB-CD1 3.87Å; V209-F354 HydrophobicContact CB-CE1 3.77Å; V209-F354 HydrophobicContact CG1-CD1 3.79Å; V209-F354 HydrophobicContact CG1-CE1 4.11Å; V209-F354 HydrophobicContact CG1-CG 4.27Å; V209-F354 HydrophobicContact CG2-CD1 4.12Å; V209-F354 HydrophobicContact CG2-CE1 3.56Å; V209-F354 HydrophobicContact CG2-CZ 3.99Å; V209-V357 HydrophobicContact CG1-CG2 4.34Å
210H95.1Very high96.4Very high53 Ų5329.7 Ų29.725%0.24516%0.157CC..Hα-helixtrans-58.8-46.1178.4-82.9-101.8000111.8R206 S212 F213 D355 N356R206-H210 WeakPolarHBondContact O-CB 3.32Å; R206-H210 PolarHBondContact O-CD2 3Å; R206-H210 PolarHBondContact O-N 2.86Å; H210-S212 VanDerWaalsContact C-N 3.3Å; H210-S212 PolarHBondContact O-N 3.41Å; H210-F213 PolarHBondContact O-N 3.44Å; H210-D355 PolarHBondContact CE1-O 3.45Å; H210-D355 PolarHBondContact NE2-O 2.97Å; H210-N356 PolarHBondContact CE1-O 3.37Å; H210-N356 PolarHBondContact ND1-O 3.16Å; H210-N356 VanDerWaalsContact ND1-O 3.14Å
211S95.6Very high96.2Very high39 Ų3929.1 Ų29.127%0.27315%0.15SC..Hα-helixtrans-75-21.2-178-55.60000113.5L125 A207 I208 V209 F213L125-S211 WeakPolarHBondContact CD2-O 3.24Å; A207-S211 VanDerWaalsContact O-CB 3.25Å; A207-S211 WeakPolarHBondContact O-CB 3.08Å; A207-S211 PolarHBondContact O-N 3.24Å; A207-S211 PolarHBondContact O-OG 2.89Å; I208-S211 PolarHBondContact O-N 3.3Å; V209-S211 PolarHBondContact O-N 3.39Å; S211-F213 VanDerWaalsContact C-N 3.29Å
212S97.1Very high96Very high0 Ų030 Ų300%016%0.156CC..Hα-helixtrans-74.7-17.317779.80000113.3I208 V209 H210 L235 L236I208-S212 VanDerWaalsContact O-CB 3.22Å; I208-S212 WeakPolarHBondContact O-CB 3.22Å; I208-S212 PolarHBondContact O-N 2.98Å; V209-S212 PolarHBondContact O-N 2.89Å; V209-S212 PolarHBondContact O-OG 3.14Å; H210-S212 VanDerWaalsContact C-N 3.3Å; H210-S212 PolarHBondContact O-N 3.41Å; S212-L235 VanDerWaalsContact OG-CD1 3.28Å; S212-L235 WeakPolarHBondContact OG-CD1 3.38Å; S212-L236 WeakPolarHBondContact O-CB 3.14Å; S212-L236 VanDerWaalsContact O-CG 3.24Å; S212-L236 WeakPolarHBondContact O-CG 3.27Å; S212-L236 PolarHBondContact O-N 3.45Å
213F97.6Very high95.7Very high4 Ų429.4 Ų29.42%0.01815%0.152CC..EExtended strand (participates in β ladder)trans-85116.2176.6-171.4-113.8000110V209 H210 S211 A233 R234 L235 V250 F342 C344 V357 A359V209-F213 PolarHBondContact O-N 3.49Å; H210-F213 PolarHBondContact O-N 3.44Å; S211-F213 VanDerWaalsContact C-N 3.29Å; F213-A233 HydrophobicContact CE1-CB 4.46Å; F213-A233 HydrophobicContact CE2-CB 3.85Å; F213-A233 HydrophobicContact CZ-CB 3.6Å; F213-R234 WeakPolarHBondContact CA-O 3.35Å; F213-L235 HydrophobicContact CB-CD1 3.97Å; F213-L235 HydrophobicContact CD2-CB 4.27Å; F213-L235 HydrophobicContact CD2-CD1 4.19Å; F213-V250 HydrophobicContact CE2-CG2 4.22Å; F213-V250 HydrophobicContact CZ-CG1 3.84Å; F213-V250 HydrophobicContact CZ-CG2 4.05Å; F213-F342 HydrophobicContact CE1-CB 3.9Å; F213-F342 HydrophobicContact CZ-CB 4.16Å; F213-C344 VanDerWaalsContact CE2-SG 3.54Å; F213-C344 VanDerWaalsContact CZ-SG 3.54Å; F213-V357 HydrophobicContact CB-CG1 3.53Å; F213-V357 HydrophobicContact CD1-CG1 4.09Å; F213-V357 HydrophobicContact CG-CG1 3.86Å; F213-A359 HydrophobicContact CD1-CB 3.78Å; F213-A359 HydrophobicContact CE1-CB 4.02Å
214I97.5Very high95.2Very high3 Ų329.1 Ų29.12%0.01515%0.147CC..EExtended strand (participates in β ladder)trans-136.4163.6-173.865.8153.9000112L125 W128 L148 S216 A233 R234 L236L125-I214 HydrophobicContact CD1-CG2 4.32Å; L125-I214 HydrophobicContact CD2-CG2 4.24Å; W128-I214 HydrophobicContact CE3-CD1 4.3Å; W128-I214 HydrophobicContact CH2-CD1 3.93Å; W128-I214 HydrophobicContact CZ3-CD1 3.64Å; L148-I214 HydrophobicContact CD1-CD1 3.76Å; L148-I214 HydrophobicContact CD2-CD1 4.11Å; I214-S216 PolarHBondContact O-N 3.25Å; I214-A233 CarbonylContact O-C 3.45Å; I214-A233 VanDerWaalsContact O-CA 3.24Å; I214-A233 WeakPolarHBondContact O-CA 3.4Å; I214-R234 PolarHBondContact N-O 2.81Å; I214-R234 PolarHBondContact O-N 3.33Å; I214-L236 HydrophobicContact CD1-CD1 3.99Å; I214-L236 HydrophobicContact CD1-CD2 4.28Å; I214-L236 HydrophobicContact CD1-CG 4.36Å; I214-L236 HydrophobicContact CG1-CD1 4.1Å; I214-L236 HydrophobicContact CG1-CD2 4.39Å; I214-L236 HydrophobicContact CG1-CG 4.16Å; I214-L236 HydrophobicContact CG2-CD1 4.33Å
215V97.6Very high94.5Very high5 Ų529.9 Ų29.93%0.0315%0.15CC..EExtended strand (participates in β ladder)trans-87.699.6166.9-175.80000108.7Q132 K217 E232 F342 A359 L360Q132-V215 PolarHBondContact NE2-O 3.41Å; V215-K217 WeakPolarHBondContact CG1-O 3.46Å; V215-E232 CarbonylContact C-O 3.44Å; V215-E232 WeakPolarHBondContact CA-O 3.38Å; V215-F342 HydrophobicContact CG1-CE2 4.19Å; V215-F342 HydrophobicContact CG2-CD2 3.46Å; V215-F342 VanDerWaalsContact CG2-CD2 3.46Å; V215-F342 HydrophobicContact CG2-CE2 3.56Å; V215-F342 HydrophobicContact CG2-CG 4.37Å; V215-A359 HydrophobicContact CG2-CB 4.06Å; V215-L360 WeakPolarHBondContact CG2-O 3.3Å
216S97.1Very high93.7Very high2 Ų235 Ų351%0.01417%0.174CC..EExtended strand (participates in β ladder)trans-73.4-36.8-17956.20000112.3Q132 I214 E232Q132-S216 PolarHBondContact NE2-O 2.71Å; I214-S216 PolarHBondContact O-N 3.25Å; S216-E232 PolarHBondContact N-O 3.43Å; S216-E232 WeakPolarHBondContact OG-CB 3.49Å; S216-E232 VanDerWaalsContact OG-CG 3.3Å; S216-E232 WeakPolarHBondContact OG-CG 3.34Å; S216-E232 PolarHBondContact OG-O 2.79Å; S216-E232 PolarHBondContact OG-OE1 3.03Å
217K96.7Very high93.1Very high98 Ų9834.8 Ų34.843%0.42618%0.18SC..EExtended strand (participates in β ladder)trans-121.5111.5172.4-63.2-178.8177.1157.20110.3E145 V215 A231 E232E145-K217 WeakPolarHBondContact OE1-CE 3.4Å; E145-K217 IonicContact OE1-NZ 3.61Å; V215-K217 WeakPolarHBondContact CG1-O 3.46Å; K217-A231 WeakPolarHBondContact O-CA 3.44Å; K217-E232 HydrophobicContact CB-CB 3.68Å; K217-E232 HydrophobicContact CD-CB 4.22Å; K217-E232 HydrophobicContact CG-CB 4Å; K217-E232 PolarHBondContact N-O 3.06Å; K217-E232 VanDerWaalsContact N-O 3.16Å; K217-E232 IonicContact NZ-OE2 2.75Å; K217-E232 PolarHBondContact NZ-OE2 3.09Å; K217-E232 PolarHBondContact O-N 2.84Å
218Q96.6Very high92.8Very high28 Ų2839 Ų3913%0.13119%0.191CC..PPolyproline II helixtrans-66146.9178.5-64.2-66.3-18.600110.9Q132 L362Q132-Q218 HydrophobicContact CG-CG 4.28Å; Q218-L362 HydrophobicContact CG-CD1 4.02Å; Q218-L362 HydrophobicContact CG-CG 4.36Å
219P95.4Very high92.5Very high3 Ų339.1 Ų39.12%0.01919%0.192CC..PPolyproline II helixtrans-64.8168.7168.133.8-39.5000111.1V221 L223 F229 N230 L340 V364P219-V221 PolarHBondContact O-N 2.9Å; P219-L223 HydrophobicContact CB-CD2 4.27Å; P219-F229 HydrophobicContact CB-CD2 4.5Å; P219-N230 WeakPolarHBondContact CA-O 3.44Å; P219-L340 HydrophobicContact CB-CD1 3.84Å; P219-L340 HydrophobicContact CG-CD1 3.79Å; P219-V364 HydrophobicContact CG-CG1 3.8Å
220N93.3Very high92.5Very high106 Ų10643.3 Ų43.357%0.56721%0.214SC*.PPolyproline II helixtrans-56.2131.1167.7-68.2-18.4000109.6V222 L223N220-V222 PolarHBondContact O-N 3.22Å; N220-V222 VanDerWaalsContact O-N 3.11Å; N220-L223 WeakPolarHBondContact O-CD2 3.3Å
221V94.1Very high92.5Very high20 Ų2040.9 Ų40.912%0.12120%0.204CC..SBendtrans-59.1-26-177.4-61.70000114.1Q136 P219 V364 K365 I380Q136-V221 HydrophobicContact CB-CG1 3.97Å; Q136-V221 HydrophobicContact CG-CG1 4.24Å; P219-V221 PolarHBondContact O-N 2.9Å; V221-V364 WeakPolarHBondContact O-CA 3.48Å; V221-K365 PolarHBondContact O-N 3.45Å; V221-I380 HydrophobicContact CB-CD1 4.16Å; V221-I380 HydrophobicContact CB-CG1 4.11Å; V221-I380 HydrophobicContact CB-CG2 3.76Å; V221-I380 HydrophobicContact CG1-CG2 4.07Å; V221-I380 HydrophobicContact CG2-CG1 4.45Å; V221-I380 HydrophobicContact CG2-CG2 3.92Å
222V93.2Very high92.6Very high20 Ų2039.3 Ų39.312%0.12119%0.192CC..EExtended strand (participates in β ladder)trans-116.4114.1169.7-1770000108.2N220 K365 T367 E373N220-V222 PolarHBondContact O-N 3.22Å; N220-V222 VanDerWaalsContact O-N 3.11Å; V222-K365 HydrophobicContact CG2-CB 4.38Å; V222-T367 HydrophobicContact CG1-CG2 3.54Å; V222-E373 HydrophobicContact CG1-CG 4.41Å
223L90.4Very high92.6Very high8 Ų839.3 Ų39.34%0.04219%0.192CC..EExtended strand (participates in β ladder)trans-91.7117.6174.6-61.5179.3000108.6P219 N220 F229 L254 L314 V364 K365 L366 T367P219-L223 HydrophobicContact CB-CD2 4.27Å; N220-L223 WeakPolarHBondContact O-CD2 3.3Å; L223-F229 HydrophobicContact CD2-CB 3.83Å; L223-F229 HydrophobicContact CD2-CG 4.46Å; L223-L254 HydrophobicContact CD1-CD1 4.32Å; L223-L314 HydrophobicContact CB-CD2 4Å; L223-L314 HydrophobicContact CD1-CD2 4.09Å; L223-V364 HydrophobicContact CD1-CB 4.38Å; L223-V364 HydrophobicContact CD1-CG2 3.82Å; L223-V364 HydrophobicContact CG-CB 4.44Å; L223-V364 HydrophobicContact CG-CG2 4.38Å; L223-K365 PolarHBondContact N-O 3.29Å; L223-L366 HydrophobicContact CB-CD1 4.38Å; L223-L366 CarbonylContact O-C 3.58Å; L223-L366 WeakPolarHBondContact O-CA 3.47Å; L223-T367 PolarHBondContact O-N 2.82Å
224K86.6Confident92.6Very high72 Ų7239.5 Ų39.531%0.31319%0.193SC..EExtended strand (participates in β ladder)trans-91137.9174.1-174.1176.5-179.7177.90110.2H226 N227 T367K224-H226 PolarHBondContact O-N 2.9Å; K224-N227 HydrophobicContact CB-CB 4.05Å; K224-N227 WeakPolarHBondContact O-CB 3.24Å; K224-N227 PolarHBondContact O-N 2.93Å; K224-T367 CarbonylContact C-O 3.56Å; K224-T367 WeakPolarHBondContact CA-O 3.47Å
225Q81.2Confident92.6Very high45 Ų4539.4 Ų39.421%0.2119%0.192CC..THydrogen-bonded Turntrans-57.6138.7174.9-164.8178.6-34.900110.6N227 V316 T367Q225-N227 PolarHBondContact O-N 3.22Å; Q225-N227 VanDerWaalsContact O-N 3.16Å; Q225-V316 HydrophobicContact CG-CG2 4.2Å; Q225-T367 PolarHBondContact N-O 2.91Å
226H79.8Confident92.6Very high107 Ų10739.2 Ų39.250%0.49519%0.191SC..THydrogen-bonded Turntrans64.17.7-174.7-50.1-74.7000115.2K224 L313 L314K224-H226 PolarHBondContact O-N 2.9Å; H226-L313 VanDerWaalsContact C-CD1 3.41Å; H226-L313 WeakPolarHBondContact O-CD1 3.36Å; H226-L314 PolarHBondContact N-O 3.49Å
227N83.5Confident92.5Very high84 Ų8439.1 Ų39.145%0.44919%0.19SC..  trans-91.3153.1167-7611.3000111K224 Q225 L314K224-N227 HydrophobicContact CB-CB 4.05Å; K224-N227 WeakPolarHBondContact O-CB 3.24Å; K224-N227 PolarHBondContact O-N 2.93Å; Q225-N227 PolarHBondContact O-N 3.22Å; Q225-N227 VanDerWaalsContact O-N 3.16Å; N227-L314 PolarHBondContact O-N 3.24Å
228K88.3Confident92.3Very high122 Ų12234.6 Ų34.653%0.5317%0.171SC..EExtended strand (participates in β ladder)trans-82.6136.5173.2-70.5175.1172.8-176.80109.9K312 L313K228-K312 CarbonylContact C-O 3.56Å; K228-K312 VanDerWaalsContact CA-O 3.23Å; K228-K312 WeakPolarHBondContact CA-O 3.21Å; K228-L313 HydrophobicContact CG-CD1 4.35Å
229F91Very high92.1Very high2 Ų234.8 Ų34.81%0.00917%0.173CC..EExtended strand (participates in β ladder)trans-111.3158.2168.574.6-92000111.1P219 L223 A231 I279 S311 K312 L340P219-F229 HydrophobicContact CB-CD2 4.5Å; L223-F229 HydrophobicContact CD2-CB 3.83Å; L223-F229 HydrophobicContact CD2-CG 4.46Å; F229-A231 HydrophobicContact CD2-CB 4.37Å; F229-A231 HydrophobicContact CE2-CB 4.39Å; F229-I279 HydrophobicContact CE1-CG2 3.97Å; F229-I279 HydrophobicContact CZ-CD1 4.46Å; F229-I279 HydrophobicContact CZ-CG2 4.15Å; F229-S311 PolarHBondContact O-N 2.8Å; F229-K312 HydrophobicContact CD1-CB 4Å; F229-K312 WeakPolarHBondContact CD1-O 3.48Å; F229-K312 HydrophobicContact CE1-CB 3.52Å; F229-K312 HydrophobicContact CE2-CB 4.1Å; F229-K312 HydrophobicContact CG-CB 4.49Å; F229-K312 HydrophobicContact CZ-CB 3.58Å; F229-K312 HydrophobicContact CZ-CG 4.28Å; F229-K312 PolarHBondContact N-O 3.22Å; F229-K312 PolarHBondContact O-N 3.17Å; F229-L340 HydrophobicContact CD2-CD1 3.94Å; F229-L340 HydrophobicContact CE2-CD1 3.6Å; F229-L340 HydrophobicContact CZ-CD1 4.12Å; F229-L340 HydrophobicContact CZ-CD2 4.37Å
230N94.2Very high91.7Very high88 Ų8839.6 Ų39.647%0.47119%0.194SC..EExtended strand (participates in β ladder)trans-122.3140.8169.1-57.8-67.5000108.4P219 F309 K310 S311P219-N230 WeakPolarHBondContact CA-O 3.44Å; N230-F309 CarbonylContact C-O 3.47Å; N230-F309 WeakPolarHBondContact CA-O 3.47Å; N230-K310 WeakPolarHBondContact OD1-CA 3.44Å; N230-S311 PolarHBondContact OD1-N 2.68Å
231A96.6Very high91.3Very high3 Ų335.4 Ų35.43%0.02517%0.171CC..EExtended strand (participates in β ladder)trans-150.9158.1171.300000109.8K217 F229 F309 F342K217-A231 WeakPolarHBondContact O-CA 3.44Å; F229-A231 HydrophobicContact CD2-CB 4.37Å; F229-A231 HydrophobicContact CE2-CB 4.39Å; A231-F309 PolarHBondContact N-O 2.91Å; A231-F309 PolarHBondContact O-N 2.73Å; A231-F342 HydrophobicContact CB-CE1 4.15Å; A231-F342 HydrophobicContact CB-CZ 3.67Å
232E97.2Very high91Very high5 Ų535.1 Ų35.12%0.02317%0.172CC..EExtended strand (participates in β ladder)trans-134.9128.4177.6-168.6-176.7117.800109.3V215 S216 K217 K306 A307 V308V215-E232 CarbonylContact C-O 3.44Å; V215-E232 WeakPolarHBondContact CA-O 3.38Å; S216-E232 PolarHBondContact N-O 3.43Å; S216-E232 WeakPolarHBondContact OG-CB 3.49Å; S216-E232 VanDerWaalsContact OG-CG 3.3Å; S216-E232 WeakPolarHBondContact OG-CG 3.34Å; S216-E232 PolarHBondContact OG-O 2.79Å; S216-E232 PolarHBondContact OG-OE1 3.03Å; K217-E232 HydrophobicContact CB-CB 3.68Å; K217-E232 HydrophobicContact CD-CB 4.22Å; K217-E232 HydrophobicContact CG-CB 4Å; K217-E232 PolarHBondContact N-O 3.06Å; K217-E232 VanDerWaalsContact N-O 3.16Å; K217-E232 IonicContact NZ-OE2 2.75Å; K217-E232 PolarHBondContact NZ-OE2 3.09Å; K217-E232 PolarHBondContact O-N 2.84Å; E232-K306 HydrophobicContact CG-CB 4.25Å; E232-K306 HydrophobicContact CG-CD 4.28Å; E232-K306 WeakPolarHBondContact OE1-CD 3.42Å; E232-A307 WeakPolarHBondContact CA-O 3.43Å; E232-V308 HydrophobicContact CG-CG2 4.16Å
233A97.7Very high90.8Very high0 Ų034.4 Ų34.40%017%0.168CC..EExtended strand (participates in β ladder)trans-106.9142.1168.700000109.2F213 I214 K306 A307 F342F213-A233 HydrophobicContact CE1-CB 4.46Å; F213-A233 HydrophobicContact CE2-CB 3.85Å; F213-A233 HydrophobicContact CZ-CB 3.6Å; I214-A233 CarbonylContact O-C 3.45Å; I214-A233 VanDerWaalsContact O-CA 3.24Å; I214-A233 WeakPolarHBondContact O-CA 3.4Å; A233-K306 CarbonylContact O-C 3.59Å; A233-K306 VanDerWaalsContact O-CA 3.24Å; A233-K306 WeakPolarHBondContact O-CA 3.31Å; A233-K306 WeakPolarHBondContact O-CB 3.46Å; A233-A307 PolarHBondContact N-O 2.56Å; A233-A307 PolarHBondContact O-N 2.84Å; A233-F342 HydrophobicContact CB-CB 4.38Å; A233-F342 HydrophobicContact CB-CD1 4.05Å; A233-F342 HydrophobicContact CB-CG 4.23Å
234R97.4Very high90.6Very high8 Ų839 Ų393%0.0319%0.187CC..EExtended strand (participates in β ladder)trans-133139.8-175.9-172.5174.7171.8-177.9-9.9110D149 F213 I214 L236 R304 V305 K306D149-R234 IonicContact OD1-CZ 2.74Å; D149-R234 VanDerWaalsContact OD1-CZ 3.23Å; D149-R234 IonicContact OD1-NH1 3.29Å; D149-R234 PolarHBondContact OD1-NH1 2.88Å; D149-R234 IonicContact OD1-NH2 3.44Å; D149-R234 PolarHBondContact OD1-NH2 3.43Å; F213-R234 WeakPolarHBondContact CA-O 3.35Å; I214-R234 PolarHBondContact N-O 2.81Å; I214-R234 PolarHBondContact O-N 3.33Å; R234-L236 HydrophobicContact CG-CD2 4.13Å; R234-R304 VanDerWaalsContact CZ-CG 3.46Å; R234-R304 VanDerWaalsContact NH1-CD 3.33Å; R234-V305 WeakPolarHBondContact CA-O 3.44Å; R234-V305 WeakPolarHBondContact CG-O 3.24Å; R234-K306 HydrophobicContact CB-CB 4.47Å; R234-K306 HydrophobicContact CG-CB 4.48Å
235L97.3Very high90.7Very high2 Ų242.8 Ų42.81%0.0120%0.204CC..EExtended strand (participates in β ladder)trans-100.8110.6172-174.369.3000108.7S212 F213 I237 G238 I243 L296 V305S212-L235 VanDerWaalsContact OG-CD1 3.28Å; S212-L235 WeakPolarHBondContact OG-CD1 3.38Å; F213-L235 HydrophobicContact CB-CD1 3.97Å; F213-L235 HydrophobicContact CD2-CB 4.27Å; F213-L235 HydrophobicContact CD2-CD1 4.19Å; L235-I237 VanDerWaalsContact C-N 3.34Å; L235-I237 HydrophobicContact CD1-CG1 4.02Å; L235-I237 HydrophobicContact CD2-CD1 3.94Å; L235-I237 HydrophobicContact CD2-CG1 3.76Å; L235-I237 HydrophobicContact CG-CD1 4.23Å; L235-I237 HydrophobicContact CG-CG1 3.56Å; L235-I237 PolarHBondContact O-N 3.2Å; L235-G238 PolarHBondContact O-N 3.14Å; L235-I243 HydrophobicContact CD2-CD1 4.16Å; L235-I243 HydrophobicContact CD2-CG1 3.94Å; L235-I243 HydrophobicContact CD2-CG2 3.95Å; L235-L296 HydrophobicContact CB-CD2 4.22Å; L235-L296 HydrophobicContact CD2-CD2 3.99Å; L235-V305 HydrophobicContact CB-CB 4.37Å; L235-V305 HydrophobicContact CB-CG1 4.11Å; L235-V305 HydrophobicContact CD2-CG1 4.42Å; L235-V305 PolarHBondContact N-O 3.45Å
236L97.7Very high91.1Very high1 Ų143.8 Ų43.81%0.00521%0.208CC..THydrogen-bonded Turntrans-76.9-14.9-169.3-60.8175.2000114.4L125 L148 I151 A152 F155 S212 I214 R234 G238L125-L236 HydrophobicContact CD1-CD1 3.98Å; L148-L236 HydrophobicContact CD1-CD1 4.02Å; L148-L236 HydrophobicContact CD1-CD2 3.7Å; L148-L236 HydrophobicContact CD2-CD2 4.3Å; L148-L236 HydrophobicContact CG-CD2 3.92Å; I151-L236 HydrophobicContact CG2-CD1 4.31Å; A152-L236 HydrophobicContact CB-CB 4.31Å; A152-L236 HydrophobicContact CB-CD2 4.03Å; F155-L236 HydrophobicContact CB-CB 4.14Å; F155-L236 WeakPolarHBondContact CB-O 3.32Å; F155-L236 HydrophobicContact CD2-CB 3.85Å; F155-L236 HydrophobicContact CD2-CD1 4Å; F155-L236 HydrophobicContact CE2-CB 4.48Å; F155-L236 HydrophobicContact CE2-CD1 3.92Å; F155-L236 HydrophobicContact CG-CB 4.01Å; S212-L236 WeakPolarHBondContact O-CB 3.14Å; S212-L236 VanDerWaalsContact O-CG 3.24Å; S212-L236 WeakPolarHBondContact O-CG 3.27Å; S212-L236 PolarHBondContact O-N 3.45Å; I214-L236 HydrophobicContact CD1-CD1 3.99Å; I214-L236 HydrophobicContact CD1-CD2 4.28Å; I214-L236 HydrophobicContact CD1-CG 4.36Å; I214-L236 HydrophobicContact CG1-CD1 4.1Å; I214-L236 HydrophobicContact CG1-CD2 4.39Å; I214-L236 HydrophobicContact CG1-CG 4.16Å; I214-L236 HydrophobicContact CG2-CD1 4.33Å; R234-L236 HydrophobicContact CG-CD2 4.13Å; L236-G238 PolarHBondContact O-N 3.15Å
237I95.4Very high91.6Very high0 Ų045 Ų450%022%0.218CC..THydrogen-bonded Turntrans-71.4-1.8170.457.4152.8000113.7F155 E156 A159 I208 V209 L235 L241 I243F155-I237 HydrophobicContact CB-CG2 4.28Å; F155-I237 HydrophobicContact CD1-CG2 4.33Å; E156-I237 WeakPolarHBondContact CG-O 3.47Å; A159-I237 HydrophobicContact CB-CB 4.38Å; A159-I237 HydrophobicContact CB-CG2 3.85Å; I208-I237 HydrophobicContact CG2-CG2 4.14Å; V209-I237 HydrophobicContact CG1-CD1 4.44Å; V209-I237 HydrophobicContact CG2-CD1 4.03Å; L235-I237 VanDerWaalsContact C-N 3.34Å; L235-I237 HydrophobicContact CD1-CG1 4.02Å; L235-I237 HydrophobicContact CD2-CD1 3.94Å; L235-I237 HydrophobicContact CD2-CG1 3.76Å; L235-I237 HydrophobicContact CG-CD1 4.23Å; L235-I237 HydrophobicContact CG-CG1 3.56Å; L235-I237 PolarHBondContact O-N 3.2Å; I237-L241 HydrophobicContact CD1-CD1 3.75Å; I237-L241 HydrophobicContact CD1-CG 4.4Å; I237-I243 HydrophobicContact CD1-CD1 3.88Å; I237-I243 HydrophobicContact CD1-CG1 4.05Å
238G92.3Very high92.1Very high2 Ų241.1 Ų41.12%0.02120%0.197CC..THydrogen-bonded Turntrans61-149.7175.800000113.2L235 L236 I243 V305L235-G238 PolarHBondContact O-N 3.14Å; L236-G238 PolarHBondContact O-N 3.15Å; G238-I243 WeakPolarHBondContact O-CG1 3.43Å; G238-V305 WeakPolarHBondContact O-CG2 3.45Å
239D91.1Very high92.4Very high33 Ų3339.8 Ų39.818%0.17619%0.192CC..THydrogen-bonded Turntrans-101.711.4176.7-169.448.4000112.4L241 G242 I243 K244 V298 V305D239-L241 PolarHBondContact O-N 2.96Å; D239-G242 PolarHBondContact O-N 3.45Å; D239-I243 PolarHBondContact OD1-N 3.3Å; D239-I243 VanDerWaalsContact OD1-N 3.08Å; D239-K244 WeakPolarHBondContact OD1-CB 3.49Å; D239-K244 WeakPolarHBondContact OD1-CG 3.22Å; D239-K244 PolarHBondContact OD1-N 3.08Å; D239-K244 WeakPolarHBondContact OD2-CD 3.41Å; D239-K244 VanDerWaalsContact OD2-CE 3.29Å; D239-K244 WeakPolarHBondContact OD2-CE 3.49Å; D239-K244 IonicContact OD2-NZ 2.7Å; D239-K244 PolarHBondContact OD2-NZ 3.19Å; D239-V298 HydrophobicContact CB-CG1 4.36Å; D239-V298 HydrophobicContact CB-CG2 4.22Å; D239-V305 HydrophobicContact CB-CG2 4.17Å
240K86.8Confident92.7Very high104 Ų10439.7 Ų39.745%0.45219%0.191SC..THydrogen-bonded Turntrans-59.6-33.2-178.5-75.7-56-157.4117.70113.2E156 E160 G242E156-K240 HydrophobicContact CB-CG 3.84Å; E156-K240 HydrophobicContact CG-CG 3.87Å; E160-K240 IonicContact OE1-NZ 3.74Å; E160-K240 IonicContact OE2-NZ 3.74Å; E160-K240 PolarHBondContact OE2-NZ 3.48Å; K240-G242 VanDerWaalsContact C-N 3.3Å
241L85.7Confident92.6Very high17 Ų1736.4 Ų36.49%0.08918%0.175CC..THydrogen-bonded Turntrans-89.510.7176.4-63.4-171.3000113.6A159 W163 L205 I237 D239 I243 M349A159-L241 HydrophobicContact CB-CD1 4.17Å; W163-L241 HydrophobicContact CB-CD2 4.07Å; W163-L241 HydrophobicContact CG-CD2 4.24Å; L205-L241 HydrophobicContact CD1-CD1 4.42Å; I237-L241 HydrophobicContact CD1-CD1 3.75Å; I237-L241 HydrophobicContact CD1-CG 4.4Å; D239-L241 PolarHBondContact O-N 2.96Å; L241-I243 HydrophobicContact CB-CD1 4.35Å; L241-I243 HydrophobicContact CB-CG1 4.48Å; L241-M349 HydrophobicContact CB-SD 3.62Å; L241-M349 HydrophobicContact CD1-CE 3.7Å; L241-M349 HydrophobicContact CD1-SD 3.92Å; L241-M349 HydrophobicContact CD2-CE 4.37Å; L241-M349 HydrophobicContact CD2-SD 4.06Å; L241-M349 HydrophobicContact CG-CE 4.43Å; L241-M349 HydrophobicContact CG-SD 4.07Å
242G88.4Confident92.4Very high14 Ų1436.3 Ų36.314%0.14417%0.174CC..  trans72.130.7-179.700000114.1D239 K240 K244 F245D239-G242 PolarHBondContact O-N 3.45Å; K240-G242 VanDerWaalsContact C-N 3.3Å; G242-K244 PolarHBondContact O-N 3.47Å; G242-K244 VanDerWaalsContact O-N 3.1Å; G242-F245 WeakPolarHBondContact O-CB 3.42Å; G242-F245 WeakPolarHBondContact O-CD2 3.42Å; G242-F245 PolarHBondContact O-N 2.95Å
243I87.6Confident92.1Very high5 Ų538.1 Ų38.13%0.02618%0.182CC..G310 helixtrans-54.4-33.8-175.6-61.5-61.5000112.7L235 I237 G238 D239 L241 F245 F246 V248 L296 V305 F347L235-I243 HydrophobicContact CD2-CD1 4.16Å; L235-I243 HydrophobicContact CD2-CG1 3.94Å; L235-I243 HydrophobicContact CD2-CG2 3.95Å; I237-I243 HydrophobicContact CD1-CD1 3.88Å; I237-I243 HydrophobicContact CD1-CG1 4.05Å; G238-I243 WeakPolarHBondContact O-CG1 3.43Å; D239-I243 PolarHBondContact OD1-N 3.3Å; D239-I243 VanDerWaalsContact OD1-N 3.08Å; L241-I243 HydrophobicContact CB-CD1 4.35Å; L241-I243 HydrophobicContact CB-CG1 4.48Å; I243-F245 PolarHBondContact O-N 3.2Å; I243-F246 HydrophobicContact CD1-CD2 4.15Å; I243-F246 HydrophobicContact CD1-CE2 4.2Å; I243-F246 PolarHBondContact O-N 3.41Å; I243-F246 VanDerWaalsContact O-N 3.09Å; I243-V248 HydrophobicContact CG2-CG2 4.43Å; I243-L296 HydrophobicContact CG2-CD2 4.05Å; I243-V305 HydrophobicContact CG2-CG1 4.17Å; I243-F347 HydrophobicContact CD1-CD2 4.49Å; I243-F347 HydrophobicContact CD1-CE2 3.83Å; I243-F347 HydrophobicContact CD1-CZ 4.32Å
244K86.5Confident91.8Very high105 Ų10538.1 Ų38.146%0.45718%0.182SC..G310 helixtrans-55.7-23.317769.7-177.2167.2-132.60114.5D239 G242 V298D239-K244 WeakPolarHBondContact OD1-CB 3.49Å; D239-K244 WeakPolarHBondContact OD1-CG 3.22Å; D239-K244 PolarHBondContact OD1-N 3.08Å; D239-K244 WeakPolarHBondContact OD2-CD 3.41Å; D239-K244 VanDerWaalsContact OD2-CE 3.29Å; D239-K244 WeakPolarHBondContact OD2-CE 3.49Å; D239-K244 IonicContact OD2-NZ 2.7Å; D239-K244 PolarHBondContact OD2-NZ 3.19Å; G242-K244 PolarHBondContact O-N 3.47Å; G242-K244 VanDerWaalsContact O-N 3.1Å; K244-V298 HydrophobicContact CB-CG2 3.79Å
245F88.6Confident91.4Very high151 Ų15137.7 Ų37.766%0.66218%0.18SC*.G310 helixtrans-85.4-13.2-177.3-60.7-64.9000113.5G242 I243G242-F245 WeakPolarHBondContact O-CB 3.42Å; G242-F245 WeakPolarHBondContact O-CD2 3.42Å; G242-F245 PolarHBondContact O-N 2.95Å; I243-F245 PolarHBondContact O-N 3.2Å
246F89.8Confident91Very high66 Ų6638.4 Ų38.429%0.28919%0.188SC..THydrogen-bonded Turntrans-89.3-6.5-178.6-57.2-58.6000114.1I243 V248 F347 K348 M349I243-F246 HydrophobicContact CD1-CD2 4.15Å; I243-F246 HydrophobicContact CD1-CE2 4.2Å; I243-F246 PolarHBondContact O-N 3.41Å; I243-F246 VanDerWaalsContact O-N 3.09Å; F246-V248 HydrophobicContact CB-CG2 3.8Å; F246-V248 PolarHBondContact O-N 3.39Å; F246-F347 HydrophobicContact CB-CB 3.85Å; F246-F347 HydrophobicContact CB-CG 4.48Å; F246-F347 AromaticContact CD2-CD2 3.85Å; F246-F347 HydrophobicContact CD2-CD2 3.85Å; F246-F347 HydrophobicContact CD2-CG 4.49Å; F246-F347 HydrophobicContact CE2-CD2 4.28Å; F246-F347 HydrophobicContact CG-CB 4.07Å; F246-F347 HydrophobicContact CG-CD2 4.24Å; F246-K348 WeakPolarHBondContact CE1-O 3.31Å; F246-M349 HydrophobicContact CE2-CB 4.42Å; F246-M349 HydrophobicContact CZ-CB 3.96Å; F246-M349 HydrophobicContact CZ-CG 4.09Å
247N91Very high90.6Very high132 Ų13240.8 Ų40.871%0.70620%0.199SC*.THydrogen-bonded Turntrans48.942.6-176.8-66.6-43.5000113.3K249N247-K249 PolarHBondContact O-N 3.09Å
248V94.5Very high90.2Very high3 Ų347 Ų472%0.01823%0.228CC..  trans-61.2132.1-177.4-1750000110I243 F246 L296 C344 F347I243-V248 HydrophobicContact CG2-CG2 4.43Å; F246-V248 HydrophobicContact CB-CG2 3.8Å; F246-V248 PolarHBondContact O-N 3.39Å; V248-L296 HydrophobicContact CB-CB 4.08Å; V248-L296 HydrophobicContact CB-CD2 4.13Å; V248-L296 HydrophobicContact CG1-CB 4.38Å; V248-L296 HydrophobicContact CG1-CD2 4.16Å; V248-L296 VanDerWaalsContact O-CB 3.31Å; V248-L296 WeakPolarHBondContact O-CB 3.1Å; V248-L296 PolarHBondContact O-N 2.94Å; V248-C344 HydrophobicContact CG1-CB 3.86Å; V248-F347 HydrophobicContact CG1-CD1 4.34Å; V248-F347 HydrophobicContact CG2-CB 4.04Å; V248-F347 HydrophobicContact CG2-CD1 3.81Å; V248-F347 HydrophobicContact CG2-CE1 4.45Å; V248-F347 HydrophobicContact CG2-CG 3.94Å
249K94.7Very high89.9Confident95 Ų9548.3 Ų48.341%0.41323%0.234SC..EExtended strand (participates in β ladder)trans-104.2143.5171.2-65.3-178.2-179.3176.50109.8N247 C344 S345N247-K249 PolarHBondContact O-N 3.09Å; K249-C344 CarbonylContact O-C 3.56Å; K249-C344 WeakPolarHBondContact O-CA 3.37Å; K249-S345 PolarHBondContact N-OG 2.89Å; K249-S345 PolarHBondContact O-N 2.62Å; K249-S345 PolarHBondContact O-OG 3.33Å
250V95.6Very high89.9Confident0 Ų046.7 Ų46.70%023%0.225CC..EExtended strand (participates in β ladder)trans-107.9124.1170.8-1760000108.2F213 E293 V294 L296 A307 F309 F342 T343F213-V250 HydrophobicContact CE2-CG2 4.22Å; F213-V250 HydrophobicContact CZ-CG1 3.84Å; F213-V250 HydrophobicContact CZ-CG2 4.05Å; V250-E293 CarbonylContact O-C 3.16Å; V250-E293 VanDerWaalsContact O-CA 3.27Å; V250-E293 WeakPolarHBondContact O-CA 3.47Å; V250-V294 PolarHBondContact N-O 3.33Å; V250-V294 PolarHBondContact O-N 2.61Å; V250-L296 HydrophobicContact CG2-CB 4.18Å; V250-L296 HydrophobicContact CG2-CD1 4.01Å; V250-A307 HydrophobicContact CB-CB 3.71Å; V250-A307 HydrophobicContact CG1-CB 4.31Å; V250-A307 HydrophobicContact CG2-CB 3.53Å; V250-F309 HydrophobicContact CB-CE2 4.31Å; V250-F309 HydrophobicContact CB-CZ 4.12Å; V250-F309 HydrophobicContact CG1-CE2 3.92Å; V250-F309 HydrophobicContact CG1-CZ 3.87Å; V250-F309 WeakPolarHBondContact O-CZ 3.48Å; V250-F342 HydrophobicContact CG1-CB 4.09Å; V250-F342 HydrophobicContact CG1-CD1 4.29Å; V250-T343 CarbonylContact C-O 3.43Å; V250-T343 WeakPolarHBondContact CA-O 3.43Å
251S93.1Very high90Very high19 Ų1945.8 Ų45.813%0.13322%0.219CC..EExtended strand (participates in β ladder)trans-95.9147.917070.50000110.7Q292 F342 T343S251-Q292 CarbonylContact C-O 3.5Å; S251-Q292 VanDerWaalsContact CA-O 3.23Å; S251-Q292 WeakPolarHBondContact CA-O 3.4Å; S251-F342 CarbonylContact O-C 3.59Å; S251-F342 VanDerWaalsContact O-CA 3.28Å; S251-F342 WeakPolarHBondContact O-CA 3.45Å; S251-T343 PolarHBondContact N-O 3.46Å; S251-T343 PolarHBondContact O-N 3.27Å; S251-T343 PolarHBondContact OG-O 2.87Å
252V92.8Very high90.1Very high0 Ų046.1 Ų46.10%022%0.223CC..EExtended strand (participates in β ladder)trans-121.1134.7171.769.10000110.7I279 S291 Q292 F309 L340 L341 F342V252-I279 HydrophobicContact CG1-CD1 4Å; V252-I279 HydrophobicContact CG2-CD1 4.5Å; V252-S291 VanDerWaalsContact O-CA 3.32Å; V252-S291 WeakPolarHBondContact O-CA 3.3Å; V252-Q292 HydrophobicContact CG1-CB 3.99Å; V252-Q292 PolarHBondContact N-O 2.8Å; V252-Q292 PolarHBondContact O-N 3.13Å; V252-F309 HydrophobicContact CB-CD1 4.07Å; V252-F309 HydrophobicContact CB-CE1 3.7Å; V252-F309 HydrophobicContact CB-CZ 3.98Å; V252-F309 HydrophobicContact CG1-CD1 3.47Å; V252-F309 VanDerWaalsContact CG1-CD1 3.47Å; V252-F309 HydrophobicContact CG1-CE1 3.38Å; V252-F309 HydrophobicContact CG1-CG 4.33Å; V252-F309 HydrophobicContact CG1-CZ 4.18Å; V252-L340 HydrophobicContact CG2-CB 4.04Å; V252-L340 HydrophobicContact CG2-CD1 4.45Å; V252-L340 HydrophobicContact CG2-CD2 4.08Å; V252-L340 HydrophobicContact CG2-CG 4.43Å; V252-L341 CarbonylContact C-O 3.45Å; V252-L341 VanDerWaalsContact CA-O 3.3Å; V252-L341 WeakPolarHBondContact CA-O 3.24Å; V252-F342 HydrophobicContact CB-CD1 4.12Å; V252-F342 HydrophobicContact CB-CE1 4.09Å; V252-F342 HydrophobicContact CG2-CD1 3.97Å; V252-F342 HydrophobicContact CG2-CE1 3.65Å; V252-F342 HydrophobicContact CG2-CE2 4.48Å; V252-F342 HydrophobicContact CG2-CZ 3.93Å
253K90.7Very high90Very high43 Ų4345.8 Ų45.819%0.18722%0.218CC..EExtended strand (participates in β ladder)trans-133.3152.3174.4-64.5-179.2-178.9176.70110.1P271 L340 L341K253-P271 PolarHBondContact NZ-O 3.34Å; K253-L340 CarbonylContact O-C 3.49Å; K253-L340 WeakPolarHBondContact O-CA 3.5Å; K253-L341 PolarHBondContact N-O 2.84Å; K253-L341 PolarHBondContact O-N 2.94Å
254L91Very high89.9Confident0 Ų049 Ų490%023%0.232CC..EExtended strand (participates in β ladder)trans-96.9119.7170.8-173.572.2000109L223 T275 V276 A277 L314 L340 V364L223-L254 HydrophobicContact CD1-CD1 4.32Å; L254-T275 WeakPolarHBondContact O-CA 3.43Å; L254-T275 PolarHBondContact O-OG1 3.03Å; L254-T275 VanDerWaalsContact O-OG1 3.06Å; L254-V276 HydrophobicContact CB-CG2 3.99Å; L254-V276 HydrophobicContact CD2-CG2 3.58Å; L254-V276 HydrophobicContact CG-CG2 3.55Å; L254-V276 VanDerWaalsContact O-CG2 3.27Å; L254-V276 WeakPolarHBondContact O-CG2 3.37Å; L254-V276 PolarHBondContact O-N 3.27Å; L254-A277 HydrophobicContact CB-CB 4.16Å; L254-A277 HydrophobicContact CD2-CB 3.8Å; L254-L314 HydrophobicContact CB-CD1 4.38Å; L254-L314 HydrophobicContact CD2-CD1 4.04Å; L254-L314 HydrophobicContact CD2-CD2 4Å; L254-L340 HydrophobicContact CB-CD2 4.24Å; L254-L340 HydrophobicContact CD1-CD2 3.73Å; L254-L340 HydrophobicContact CD1-CG 4.37Å; L254-V364 HydrophobicContact CD1-CG2 4.32Å
255V89.6Confident89.7Confident0 Ų050.1 Ų50.10%024%0.239CC..EExtended strand (participates in β ladder)trans-112.4151.1-179.9-62.60000110.9Q259 A260 A273 Y338 A339 L341 L360V255-Q259 HydrophobicContact CB-CB 4.3Å; V255-Q259 HydrophobicContact CB-CG 4.18Å; V255-Q259 HydrophobicContact CG1-CG 4.27Å; V255-A260 HydrophobicContact CG2-CB 4.25Å; V255-A273 HydrophobicContact CG1-CB 4.48Å; V255-Y338 VanDerWaalsContact O-CA 3.28Å; V255-Y338 WeakPolarHBondContact O-CA 3.49Å; V255-Y338 WeakPolarHBondContact O-CB 3.43Å; V255-A339 HydrophobicContact CG2-CB 4.44Å; V255-A339 WeakPolarHBondContact CG2-O 3.34Å; V255-A339 PolarHBondContact N-O 2.94Å; V255-A339 PolarHBondContact O-N 3.22Å; V255-L341 HydrophobicContact CG1-CB 4.07Å; V255-L341 HydrophobicContact CG1-CD2 4.14Å; V255-L341 HydrophobicContact CG2-CB 4.21Å; V255-L360 HydrophobicContact CG2-CD2 3.91Å
256G88.7Confident89.1Confident16 Ų1646 Ų4617%0.16524%0.24CC..EExtended strand (participates in β ladder)trans-76.5166.6172.300000112.5E258 Q259 A260G256-E258 PolarHBondContact O-N 3.42Å; G256-Q259 PolarHBondContact O-N 2.76Å; G256-A260 PolarHBondContact O-N 2.96Å
257E89.1Confident88Confident52 Ų5247.9 Ų47.924%0.24326%0.256CS..Hα-helixtrans-53.7-49.9179.9-178.4172.1159.900114.5Q259 A260 R261 N337 F393E257-Q259 VanDerWaalsContact C-N 3.29Å; E257-Q259 PolarHBondContact O-N 2.93Å; E257-A260 PolarHBondContact O-N 3.37Å; E257-A260 VanDerWaalsContact O-N 3.13Å; E257-R261 PolarHBondContact O-N 3.47Å; E257-R261 IonicContact OE1-CZ 3.77Å; E257-R261 IonicContact OE1-NH1 2.82Å; E257-R261 IonicContact OE1-NH2 2.66Å; E257-R261 PolarHBondContact OE1-NH2 3.14Å; E257-N337 HydrophobicContact CB-CB 4.08Å; E257-N337 HydrophobicContact CG-CB 4.28Å; E257-N337 PolarHBondContact N-O 3.12Å; E257-N337 VanDerWaalsContact N-O 3.14Å; E257-N337 VanDerWaalsContact OE2-CB 3.32Å; E257-N337 WeakPolarHBondContact OE2-CB 3.28Å; E257-N337 PolarHBondContact OE2-ND2 2.96Å; E257-F393 HydrophobicContact CB-CD1 4.37Å; E257-F393 HydrophobicContact CG-CB 4.23Å; E257-F393 HydrophobicContact CG-CD1 3.76Å; E257-F393 HydrophobicContact CG-CG 4.26Å
258E85.8Confident86.8Confident131 Ų13143.9 Ų43.961%0.61224%0.236SC*.Hα-helixtrans-57.9-45.3-179.2-175.1-175.1-17600111G256 A260 R261 S262G256-E258 PolarHBondContact O-N 3.42Å; E258-A260 PolarHBondContact O-N 3.25Å; E258-R261 PolarHBondContact O-N 3.2Å; E258-S262 WeakPolarHBondContact O-CB 3.4Å; E258-S262 PolarHBondContact O-N 3.44Å; E258-S262 PolarHBondContact O-OG 3.34Å
259Q87.2Confident85.3Confident28 Ų2847.8 Ų47.813%0.13126%0.264CS..Hα-helixtrans-65.9-39.3177.9-175.95761.800111.9V255 G256 E257 S262 L263 V268 A273V255-Q259 HydrophobicContact CB-CB 4.3Å; V255-Q259 HydrophobicContact CB-CG 4.18Å; V255-Q259 HydrophobicContact CG1-CG 4.27Å; G256-Q259 PolarHBondContact O-N 2.76Å; E257-Q259 VanDerWaalsContact C-N 3.29Å; E257-Q259 PolarHBondContact O-N 2.93Å; Q259-S262 PolarHBondContact O-N 3.15Å; Q259-L263 HydrophobicContact CG-CD1 4.45Å; Q259-L263 VanDerWaalsContact O-CG 3.24Å; Q259-L263 WeakPolarHBondContact O-CG 3.41Å; Q259-L263 PolarHBondContact O-N 3.34Å; Q259-L263 VanDerWaalsContact O-N 3.08Å; Q259-V268 VanDerWaalsContact NE2-CG1 3.29Å; Q259-A273 HydrophobicContact CG-CB 4.13Å
260A90.1Very high84Confident0 Ų044.1 Ų44.10%025%0.249CC..Hα-helixtrans-63.8-43.1176.900000111.4V255 G256 E257 E258 L263 E264 L360 F393V255-A260 HydrophobicContact CG2-CB 4.25Å; G256-A260 PolarHBondContact O-N 2.96Å; E257-A260 PolarHBondContact O-N 3.37Å; E257-A260 VanDerWaalsContact O-N 3.13Å; E258-A260 PolarHBondContact O-N 3.25Å; A260-L263 WeakPolarHBondContact O-CB 3.21Å; A260-L263 PolarHBondContact O-N 3.3Å; A260-E264 PolarHBondContact O-N 2.86Å; A260-E264 VanDerWaalsContact O-N 3.12Å; A260-L360 HydrophobicContact CB-CD1 4Å; A260-L360 HydrophobicContact CB-CD2 4.42Å; A260-F393 HydrophobicContact CB-CD2 4.16Å; A260-F393 HydrophobicContact CB-CE1 4.08Å; A260-F393 HydrophobicContact CB-CE2 3.45Å; A260-F393 VanDerWaalsContact CB-CE2 3.45Å; A260-F393 HydrophobicContact CB-CZ 3.39Å
261R89.5Confident82.1Confident84 Ų8448.3 Ų48.332%0.31728%0.276SS..Hα-helixtrans-62.9-46.3175.6-171.7-178.8-66.8112.61.1111.7E257 E258 L263 E264 E265 F393E257-R261 PolarHBondContact O-N 3.47Å; E257-R261 IonicContact OE1-CZ 3.77Å; E257-R261 IonicContact OE1-NH1 2.82Å; E257-R261 IonicContact OE1-NH2 2.66Å; E257-R261 PolarHBondContact OE1-NH2 3.14Å; E258-R261 PolarHBondContact O-N 3.2Å; R261-L263 PolarHBondContact O-N 3.36Å; R261-E264 PolarHBondContact O-N 3.03Å; R261-E264 VanDerWaalsContact O-N 3.1Å; R261-E265 WeakPolarHBondContact CG-OE1 3.43Å; R261-E265 WeakPolarHBondContact O-CG 3.15Å; R261-E265 PolarHBondContact O-N 3.19Å; R261-F393 PolarHBondContact NH2-O 2.96Å
262S87.7Confident80.8Confident25 Ų2553.8 Ų53.818%0.17530%0.304CS..Hα-helixtrans-63.1-27.8178.1-61.20000113.5E258 Q259 G266 V267 V268E258-S262 WeakPolarHBondContact O-CB 3.4Å; E258-S262 PolarHBondContact O-N 3.44Å; E258-S262 PolarHBondContact O-OG 3.34Å; Q259-S262 PolarHBondContact O-N 3.15Å; S262-G266 PolarHBondContact O-N 3.11Å; S262-V267 PolarHBondContact O-N 3.35Å; S262-V268 PolarHBondContact O-N 3.43Å
263L86.8Confident79.6Confident7 Ų754 Ų544%0.03731%0.305CS..Hα-helixtrans-73-42.5172.4-72170.3000111.8Q259 A260 R261 E265 G266 V268 L270 L341 W358Q259-L263 HydrophobicContact CG-CD1 4.45Å; Q259-L263 VanDerWaalsContact O-CG 3.24Å; Q259-L263 WeakPolarHBondContact O-CG 3.41Å; Q259-L263 PolarHBondContact O-N 3.34Å; Q259-L263 VanDerWaalsContact O-N 3.08Å; A260-L263 WeakPolarHBondContact O-CB 3.21Å; A260-L263 PolarHBondContact O-N 3.3Å; R261-L263 PolarHBondContact O-N 3.36Å; L263-E265 VanDerWaalsContact C-N 3.29Å; L263-E265 PolarHBondContact O-N 3.02Å; L263-G266 PolarHBondContact O-N 3.38Å; L263-V268 HydrophobicContact CD2-CB 4.5Å; L263-L270 HydrophobicContact CD1-CD2 4.14Å; L263-L270 HydrophobicContact CD2-CD1 3.91Å; L263-L270 HydrophobicContact CD2-CD2 3.57Å; L263-L270 HydrophobicContact CD2-CG 3.48Å; L263-L270 VanDerWaalsContact CD2-CG 3.48Å; L263-L341 HydrophobicContact CD1-CD1 4.12Å; L263-L341 HydrophobicContact CD1-CD2 3.97Å; L263-W358 HydrophobicContact CB-CH2 3.97Å; L263-W358 HydrophobicContact CB-CZ2 4.13Å; L263-W358 WeakPolarHBondContact O-CZ2 3.35Å
264E84.7Confident78.9Confident71 Ų7155 Ų5533%0.33232%0.316SS..Hα-helixtrans-63.2-35.2175.7-70.5-180164.500112.1A260 R261 G266 W358 L360 P392A260-E264 PolarHBondContact O-N 2.86Å; A260-E264 VanDerWaalsContact O-N 3.12Å; R261-E264 PolarHBondContact O-N 3.03Å; R261-E264 VanDerWaalsContact O-N 3.1Å; E264-G266 VanDerWaalsContact C-N 3.31Å; E264-W358 HydrophobicContact CG-CH2 4.38Å; E264-L360 HydrophobicContact CG-CD1 4.2Å; E264-P392 VanDerWaalsContact OE1-CD 3.3Å; E264-P392 WeakPolarHBondContact OE1-CD 3.46Å; E264-P392 WeakPolarHBondContact OE1-CG 3.33Å
265E82.1Confident78.3Confident129 Ų12955.5 Ų55.560%0.60332%0.319SS*.THydrogen-bonded Turntrans-80.3-8.9177-67.6174.2-173.200113.7R261 L263 V267R261-E265 WeakPolarHBondContact CG-OE1 3.43Å; R261-E265 WeakPolarHBondContact O-CG 3.15Å; R261-E265 PolarHBondContact O-N 3.19Å; L263-E265 VanDerWaalsContact C-N 3.29Å; L263-E265 PolarHBondContact O-N 3.02Å; E265-V267 VanDerWaalsContact C-N 3.3Å; E265-V267 HydrophobicContact CB-CG2 3.86Å; E265-V267 PolarHBondContact O-N 2.94Å
266G77.5Confident77.8Confident65 Ų6555.9 Ų55.967%0.6732%0.322SS*.THydrogen-bonded Turntrans73.117.3-178.300000114.8S262 L263 E264S262-G266 PolarHBondContact O-N 3.11Å; L263-G266 PolarHBondContact O-N 3.38Å; E264-G266 VanDerWaalsContact C-N 3.31Å
267V67Low77.2Confident105 Ų10555.1 Ų55.164%0.63631%0.314SS*.  trans-81.2-29.8-176.5-179.70000112.1S262 E265S262-V267 PolarHBondContact O-N 3.35Å; E265-V267 VanDerWaalsContact C-N 3.3Å; E265-V267 HydrophobicContact CB-CG2 3.86Å; E265-V267 PolarHBondContact O-N 2.94Å
268V65.1Low76.7Confident48 Ų4855 Ų5529%0.29131%0.313SS..SBendtrans-111.2133.2-177.7176.40000111.8Q259 S262 L263Q259-V268 VanDerWaalsContact NE2-CG1 3.29Å; S262-V268 PolarHBondContact O-N 3.43Å; L263-V268 HydrophobicContact CD2-CB 4.5Å
269S63.1Low76Confident85 Ų8548.8 Ų48.859%0.59428%0.283SS*.  trans-79133.6175.2510000112.7
270L66.9Low74.9Confident19 Ų1947.6 Ų47.610%0.09928%0.279CS..THydrogen-bonded Turntrans-85.278.4-179.7-75145.2000112.3L263 L341 N356 W358L263-L270 HydrophobicContact CD1-CD2 4.14Å; L263-L270 HydrophobicContact CD2-CD1 3.91Å; L263-L270 HydrophobicContact CD2-CD2 3.57Å; L263-L270 HydrophobicContact CD2-CG 3.48Å; L263-L270 VanDerWaalsContact CD2-CG 3.48Å; L270-L341 HydrophobicContact CD2-CD1 4Å; L270-L341 HydrophobicContact CD2-CD2 3.6Å; L270-L341 HydrophobicContact CD2-CG 4.33Å; L270-N356 HydrophobicContact CB-CB 4.42Å; L270-N356 HydrophobicContact CD1-CB 4.33Å; L270-N356 PolarHBondContact O-OD1 3.27Å; L270-W358 HydrophobicContact CD1-CB 4.25Å; L270-W358 HydrophobicContact CD1-CD2 4.05Å; L270-W358 HydrophobicContact CD1-CG 3.53Å; L270-W358 HydrophobicContact CD2-CG 4.44Å
271P56.5Low73.5Confident87 Ų8752.2 Ų52.257%0.56530%0.303SS*.THydrogen-bonded Turn-128.3-21.3120.3-0.620.9000113.7K253 A273K253-P271 PolarHBondContact NZ-O 3.34Å; P271-A273 PolarHBondContact O-N 2.92Å
272D64.1Low72Confident134 Ų13450.4 Ų50.472%0.71730%0.303SS*.  trans-9712.1-165-66-35.1000114.3P274D272-P274 WeakPolarHBondContact O-CD 3.47Å
273A69Low70.5Confident5 Ų553.6 Ų53.64%0.04133%0.325CS..  trans-55.8114.4176.800000109.9V255 Q259 P271 T275 L341V255-A273 HydrophobicContact CG1-CB 4.48Å; Q259-A273 HydrophobicContact CG-CB 4.13Å; P271-A273 PolarHBondContact O-N 2.92Å; A273-T275 PolarHBondContact O-N 2.84Å; A273-L341 HydrophobicContact CB-CD2 4.11Å
274P75.3Confident68.6Low63 Ų6360.6 Ų60.641%0.40936%0.362SS..  trans-67.6135.4-177.326.4-32.5000109.8D272D272-P274 WeakPolarHBondContact O-CD 3.47Å
275T79.4Confident67.1Low11 Ų1158.9 Ų58.97%0.06736%0.358CS..  trans-90.1143.1175.2-171.40000110.8L254 A273 A277 D290 K320L254-T275 WeakPolarHBondContact O-CA 3.43Å; L254-T275 PolarHBondContact O-OG1 3.03Å; L254-T275 VanDerWaalsContact O-OG1 3.06Å; A273-T275 PolarHBondContact O-N 2.84Å; T275-A277 WeakPolarHBondContact CG2-O 3.48Å; T275-A277 PolarHBondContact OG1-N 3.33Å; T275-A277 PolarHBondContact OG1-O 3.5Å; T275-D290 HydrophobicContact CG2-CB 3.71Å; T275-K320 HydrophobicContact CG2-CD 4.38Å
276V77.7Confident65.4Low9 Ų962.2 Ų62.26%0.05537%0.373CS..SBendtrans-90.2-10.8172.9-66.90000112.8L254 V322 Y338L254-V276 HydrophobicContact CB-CG2 3.99Å; L254-V276 HydrophobicContact CD2-CG2 3.58Å; L254-V276 HydrophobicContact CG-CG2 3.55Å; L254-V276 VanDerWaalsContact O-CG2 3.27Å; L254-V276 WeakPolarHBondContact O-CG2 3.37Å; L254-V276 PolarHBondContact O-N 3.27Å; V276-V322 HydrophobicContact CG1-CG2 4.07Å; V276-Y338 HydrophobicContact CB-CD1 4.5Å; V276-Y338 HydrophobicContact CB-CE1 4.2Å; V276-Y338 HydrophobicContact CG1-CE1 4.16Å; V276-Y338 HydrophobicContact CG2-CD1 3.63Å; V276-Y338 HydrophobicContact CG2-CE1 3.77Å
277A77.7Confident64.3Low0 Ų062.2 Ų62.20%036%0.363CS..EExtended strand (participates in β ladder)trans-146.4157.4-176.300000112.5L254 T275 L314L254-A277 HydrophobicContact CB-CB 4.16Å; L254-A277 HydrophobicContact CD2-CB 3.8Å; T275-A277 WeakPolarHBondContact CG2-O 3.48Å; T275-A277 PolarHBondContact OG1-N 3.33Å; T275-A277 PolarHBondContact OG1-O 3.5Å; A277-L314 HydrophobicContact CB-CD1 3.75Å; A277-L314 HydrophobicContact CB-CG 4.28Å
278K76.9Confident64Low49 Ų4959.6 Ų59.621%0.21334%0.344CS..EExtended strand (participates in β ladder)trans-91.6146.2166.5-61.4-173.7-179.6-172.20109.7E288 K315K278-E288 HydrophobicContact CB-CB 4.34Å; K278-E288 HydrophobicContact CD-CB 3.99Å; K278-K315 PolarHBondContact N-O 3.25Å; K278-K315 PolarHBondContact O-N 2.95Å
279I72.3Confident64.3Low0 Ų063.7 Ų63.70%036%0.358CS..EExtended strand (participates in β ladder)trans-121118.1179.8-51.6-178.9000108.9F229 V252 K289 Q292 K312 L313 L314F229-I279 HydrophobicContact CE1-CG2 3.97Å; F229-I279 HydrophobicContact CZ-CD1 4.46Å; F229-I279 HydrophobicContact CZ-CG2 4.15Å; V252-I279 HydrophobicContact CG1-CD1 4Å; V252-I279 HydrophobicContact CG2-CD1 4.5Å; I279-K289 PolarHBondContact N-O 3.46Å; I279-Q292 HydrophobicContact CB-CG 3.86Å; I279-Q292 HydrophobicContact CG2-CB 4.2Å; I279-Q292 HydrophobicContact CG2-CG 3.62Å; I279-Q292 WeakPolarHBondContact O-CG 3.25Å; I279-Q292 PolarHBondContact O-NE2 2.93Å; I279-K312 HydrophobicContact CG2-CB 4.01Å; I279-L313 WeakPolarHBondContact CA-O 3.06Å; I279-L314 HydrophobicContact CG1-CD1 4.05Å
280G63.9Low64.8Low4 Ų462.7 Ų62.74%0.04135%0.346CS..EExtended strand (participates in β ladder)trans-112171.7-178.200000113.6L313G280-L313 PolarHBondContact N-O 2.93Å; G280-L313 PolarHBondContact O-N 3Å
281I60.6Low65.5Low96 Ų9663 Ų6349%0.49235%0.35SS..SBendtrans-101.1-34177.2-41.2173.3000110.7
282S58.9Low66.9Low46 Ų4659.6 Ų59.632%0.32233%0.326SS..SBendtrans-143.1164.4171.983.80000110L284 S285S282-L284 PolarHBondContact O-N 3.16Å; S282-L284 PolarHBondContact OG-N 2.88Å; S282-S285 PolarHBondContact O-OG 2.76Å; S282-S285 PolarHBondContact OG-N 3.44Å
283S56Low68.2Low93 Ų9358.4 Ų58.465%0.6532%0.316SS*.THydrogen-bonded Turntrans-69.8-8.1174.553.30000113.5
284L45.7Very low69.3Low154 Ų15459.6 Ų59.681%0.80632%0.323SS*.THydrogen-bonded Turntrans-113.9-7.5-170.5-67.1168.9000113.5S282S282-L284 PolarHBondContact O-N 3.16Å; S282-L284 PolarHBondContact OG-N 2.88Å
285S52.6Low70.2Confident34 Ų3460.4 Ų60.424%0.23832%0.324CS..  trans-89.1118.917858.60000110.7S282 S287S282-S285 PolarHBondContact O-OG 2.76Å; S282-S285 PolarHBondContact OG-N 3.44Å; S285-S287 PolarHBondContact O-N 2.82Å
286E48.1Very low71Confident199 Ų19960.6 Ų60.693%0.9332%0.324SS*.SBendtrans-60.9-11.6176.4-70.4-179.7154.600114.2E288E286-E288 PolarHBondContact O-N 3.47Å
287S53.4Low71.8Confident65 Ų6565.9 Ų65.946%0.45535%0.348SS..  trans-82.747.7177.255.90000113.3S285 K289S285-S287 PolarHBondContact O-N 2.82Å; S287-K289 PolarHBondContact O-N 2.92Å
288E61Low72.5Confident50 Ų5068.2 Ų68.223%0.23436%0.363CS..  trans-6795.4167.4-69.4-177.617000109.4K278 E286 K315K278-E288 HydrophobicContact CB-CB 4.34Å; K278-E288 HydrophobicContact CD-CB 3.99Å; E286-E288 PolarHBondContact O-N 3.47Å; E288-K315 WeakPolarHBondContact OE1-CD 3.28Å; E288-K315 IonicContact OE1-NZ 3.67Å; E288-K315 PolarHBondContact OE1-NZ 3.1Å; E288-K315 WeakPolarHBondContact OE2-CD 3.47Å; E288-K315 IonicContact OE2-NZ 2.63Å; E288-K315 PolarHBondContact OE2-NZ 3.41Å
289K70.8Confident73.3Confident134 Ų13469.1 Ų69.158%0.58337%0.368SS*.BIsolated β-bridgetrans-93.1155.3177.5-68.4-175.3-179.7-1750111.2I279 S287 S291I279-K289 PolarHBondContact N-O 3.46Å; S287-K289 PolarHBondContact O-N 2.92Å; K289-S291 WeakPolarHBondContact CB-O 3.32Å; K289-S291 PolarHBondContact O-N 2.92Å
290D74.8Confident74Confident65 Ų6580.8 Ų80.835%0.34841%0.412SS..SBendtrans-65.3-19.8174.3-76-16.1000112.7T275 K320T275-D290 HydrophobicContact CG2-CB 3.71Å; D290-K320 IonicContact OD1-NZ 3.23Å; D290-K320 PolarHBondContact OD1-NZ 3.21Å; D290-K320 IonicContact OD2-NZ 2.68Å; D290-K320 PolarHBondContact OD2-NZ 3.01Å
291S80.8Confident75.1Confident25 Ų2589.7 Ų89.718%0.17545%0.452CS..SBendtrans-136.4153.1173.159.30000111.3V252 K289V252-S291 VanDerWaalsContact O-CA 3.32Å; V252-S291 WeakPolarHBondContact O-CA 3.3Å; K289-S291 WeakPolarHBondContact CB-O 3.32Å; K289-S291 PolarHBondContact O-N 2.92Å
292Q85.9Confident76.4Confident16 Ų1687.3 Ų87.38%0.07544%0.444CS..EExtended strand (participates in β ladder)trans-114.2140.3166.8-78.9-75.2-41.900109.2S251 V252 I279 K312S251-Q292 CarbonylContact C-O 3.5Å; S251-Q292 VanDerWaalsContact CA-O 3.23Å; S251-Q292 WeakPolarHBondContact CA-O 3.4Å; V252-Q292 HydrophobicContact CG1-CB 3.99Å; V252-Q292 PolarHBondContact N-O 2.8Å; V252-Q292 PolarHBondContact O-N 3.13Å; I279-Q292 HydrophobicContact CB-CG 3.86Å; I279-Q292 HydrophobicContact CG2-CB 4.2Å; I279-Q292 HydrophobicContact CG2-CG 3.62Å; I279-Q292 WeakPolarHBondContact O-CG 3.25Å; I279-Q292 PolarHBondContact O-NE2 2.93Å; Q292-K312 HydrophobicContact CG-CD 4.36Å
293E90.4Very high77.9Confident108 Ų10892.5 Ų92.551%0.50546%0.461SS..EExtended strand (participates in β ladder)trans-115.9143.9-179.8-71.8172.2-161.900111.2V250V250-E293 CarbonylContact O-C 3.16Å; V250-E293 VanDerWaalsContact O-CA 3.27Å; V250-E293 WeakPolarHBondContact O-CA 3.47Å
294V93.7Very high79.7Confident31 Ų3189.8 Ų89.819%0.18844%0.437CS..EExtended strand (participates in β ladder)trans-138144.8172.4-178.20000107.6V250 F309V250-V294 PolarHBondContact N-O 3.33Å; V250-V294 PolarHBondContact O-N 2.61Å; V294-F309 HydrophobicContact CB-CE1 4.22Å; V294-F309 HydrophobicContact CB-CZ 4.22Å; V294-F309 HydrophobicContact CG2-CD1 3.8Å; V294-F309 HydrophobicContact CG2-CE1 3.69Å; V294-F309 HydrophobicContact CG2-CG 4.37Å; V294-F309 HydrophobicContact CG2-CZ 4.18Å
295N94.5Very high82.1Confident79 Ų7982.5 Ų82.542%0.42240%0.399SS..EExtended strand (participates in β ladder)trans-67143.6174.9-63.9-27.4000110.4E297N295-E297 HydrophobicContact CB-CG 4.05Å; N295-E297 PolarHBondContact O-N 2.88Å
296L95.1Very high84.2Confident16 Ų1682.1 Ų82.18%0.08439%0.392CS..  trans-79109.5167.8-171.169.2000107.8L235 I243 V248 V250 V305 A307L235-L296 HydrophobicContact CB-CD2 4.22Å; L235-L296 HydrophobicContact CD2-CD2 3.99Å; I243-L296 HydrophobicContact CG2-CD2 4.05Å; V248-L296 HydrophobicContact CB-CB 4.08Å; V248-L296 HydrophobicContact CB-CD2 4.13Å; V248-L296 HydrophobicContact CG1-CB 4.38Å; V248-L296 HydrophobicContact CG1-CD2 4.16Å; V248-L296 VanDerWaalsContact O-CB 3.31Å; V248-L296 WeakPolarHBondContact O-CB 3.1Å; V248-L296 PolarHBondContact O-N 2.94Å; V250-L296 HydrophobicContact CG2-CB 4.18Å; V250-L296 HydrophobicContact CG2-CD1 4.01Å; L296-V305 HydrophobicContact CD1-CG1 4.05Å; L296-V305 HydrophobicContact CD2-CG1 3.69Å; L296-V305 HydrophobicContact CG-CG1 3.56Å; L296-A307 HydrophobicContact CD1-CB 4.06Å
297E94.1Very high86.5Confident119 Ų11972.6 Ų72.656%0.55635%0.348SS*.EExtended strand (participates in β ladder)trans-112146.2-170.2-68.2179.3-176.700111.6N295 V305 K306N295-E297 HydrophobicContact CB-CG 4.05Å; N295-E297 PolarHBondContact O-N 2.88Å; E297-V305 CarbonylContact O-C 3.56Å; E297-V305 WeakPolarHBondContact O-CA 3.47Å; E297-K306 PolarHBondContact N-O 3.18Å; E297-K306 PolarHBondContact O-N 3.24Å
298V93.5Very high88.5Confident50 Ų5071.7 Ų71.730%0.30334%0.339SS..EExtended strand (participates in β ladder)trans-86.8112.8171.4-168.20000108.8D239 K244 R300 V305D239-V298 HydrophobicContact CB-CG1 4.36Å; D239-V298 HydrophobicContact CB-CG2 4.22Å; K244-V298 HydrophobicContact CB-CG2 3.79Å; V298-R300 PolarHBondContact O-N 2.8Å; V298-V305 HydrophobicContact CG1-CG2 4.33Å; V298-V305 HydrophobicContact CG2-CG2 4Å
299E92.4Very high90.1Very high68 Ų6869.3 Ų69.332%0.31833%0.328SS..  trans-67.8127.4175.6-178.9165.7-114.800110.5E301 S302 K303 R304 K306E299-E301 PolarHBondContact O-N 3.22Å; E299-S302 WeakPolarHBondContact CB-OG 3.34Å; E299-S302 VanDerWaalsContact CD-OG 3.24Å; E299-S302 VanDerWaalsContact CG-OG 3.27Å; E299-S302 WeakPolarHBondContact CG-OG 3.45Å; E299-S302 PolarHBondContact OE2-OG 2.78Å; E299-K303 WeakPolarHBondContact O-CA 3.33Å; E299-K303 PolarHBondContact O-N 3.34Å; E299-R304 HydrophobicContact CB-CB 4.47Å; E299-R304 WeakPolarHBondContact CB-O 3.37Å; E299-R304 PolarHBondContact N-O 2.92Å; E299-K306 VanDerWaalsContact CD-CE 3.46Å; E299-K306 VanDerWaalsContact OE1-CE 3.27Å; E299-K306 WeakPolarHBondContact OE1-CE 3.27Å; E299-K306 IonicContact OE1-NZ 2.93Å; E299-K306 PolarHBondContact OE1-NZ 3.35Å; E299-K306 WeakPolarHBondContact OE2-CE 3.49Å; E299-K306 IonicContact OE2-NZ 3.29Å; E299-K306 PolarHBondContact OE2-NZ 3.5Å
300R87.2Confident91Very high244 Ų24469.9 Ų69.992%0.92133%0.331SS*.THydrogen-bonded Turntrans-63.9-42.9-169.2-66.6-177.6-176.6175.10.8114.2V298V298-R300 PolarHBondContact O-N 2.8Å
301E88.2Confident91.4Very high191 Ų19169.3 Ų69.389%0.89333%0.332SS*.THydrogen-bonded Turntrans-78.5-50.5-173.4-67176.8-179.600111.6E299E299-E301 PolarHBondContact O-N 3.22Å
302S87.9Confident91.5Very high47 Ų4769 Ų6933%0.32933%0.328SS..THydrogen-bonded Turntrans-87.8-12.3-174.1670000113.2E299 R304E299-S302 WeakPolarHBondContact CB-OG 3.34Å; E299-S302 VanDerWaalsContact CD-OG 3.24Å; E299-S302 VanDerWaalsContact CG-OG 3.27Å; E299-S302 WeakPolarHBondContact CG-OG 3.45Å; E299-S302 PolarHBondContact OE2-OG 2.78Å; S302-R304 PolarHBondContact O-N 3.41Å; S302-R304 VanDerWaalsContact O-N 3.16Å; S302-R304 WeakPolarHBondContact OG-CB 3.24Å; S302-R304 WeakPolarHBondContact OG-CD 3.3Å; S302-R304 WeakPolarHBondContact OG-CG 3.44Å; S302-R304 PolarHBondContact OG-N 2.63Å
303K89.1Confident91.1Very high155 Ų15568.9 Ų68.967%0.67433%0.327SS*.  trans57.816.8-171.1-59.3-175.2178.71800114.6E299E299-K303 WeakPolarHBondContact O-CA 3.33Å; E299-K303 PolarHBondContact O-N 3.34Å
304R94.6Very high90.6Very high36 Ų3663.8 Ų63.814%0.13630%0.303CS..  trans-75.3136.2-179.1-59.8175.1175.9178.1-4.7110.6E145 D149 R234 E299 S302E145-R304 IonicContact OE1-NH1 3.65Å; E145-R304 IonicContact OE2-CZ 2.81Å; E145-R304 IonicContact OE2-NH1 3.55Å; E145-R304 PolarHBondContact OE2-NH1 3.45Å; E145-R304 IonicContact OE2-NH2 2.68Å; E145-R304 PolarHBondContact OE2-NH2 3.2Å; D149-R304 VanDerWaalsContact CG-NH2 3.32Å; D149-R304 IonicContact OD1-CZ 3.85Å; D149-R304 IonicContact OD1-NE 2.66Å; D149-R304 PolarHBondContact OD1-NE 2.91Å; D149-R304 IonicContact OD1-NH2 3.83Å; D149-R304 PolarHBondContact OD1-NH2 3.3Å; D149-R304 IonicContact OD2-CZ 3.2Å; D149-R304 IonicContact OD2-NE 2.85Å; D149-R304 PolarHBondContact OD2-NE 3.47Å; D149-R304 IonicContact OD2-NH2 2.86Å; D149-R304 PolarHBondContact OD2-NH2 2.9Å; R234-R304 VanDerWaalsContact CZ-CG 3.46Å; R234-R304 VanDerWaalsContact NH1-CD 3.33Å; E299-R304 HydrophobicContact CB-CB 4.47Å; E299-R304 WeakPolarHBondContact CB-O 3.37Å; E299-R304 PolarHBondContact N-O 2.92Å; S302-R304 PolarHBondContact O-N 3.41Å; S302-R304 VanDerWaalsContact O-N 3.16Å; S302-R304 WeakPolarHBondContact OG-CB 3.24Å; S302-R304 WeakPolarHBondContact OG-CD 3.3Å; S302-R304 WeakPolarHBondContact OG-CG 3.44Å; S302-R304 PolarHBondContact OG-N 2.63Å
305V96.3Very high89.7Confident1 Ų165.9 Ų65.91%0.00631%0.31CS..EExtended strand (participates in β ladder)trans-96.1107176.4-178.60000109.5R234 L235 G238 D239 I243 L296 E297 V298R234-V305 WeakPolarHBondContact CA-O 3.44Å; R234-V305 WeakPolarHBondContact CG-O 3.24Å; L235-V305 HydrophobicContact CB-CB 4.37Å; L235-V305 HydrophobicContact CB-CG1 4.11Å; L235-V305 HydrophobicContact CD2-CG1 4.42Å; L235-V305 PolarHBondContact N-O 3.45Å; G238-V305 WeakPolarHBondContact O-CG2 3.45Å; D239-V305 HydrophobicContact CB-CG2 4.17Å; I243-V305 HydrophobicContact CG2-CG1 4.17Å; L296-V305 HydrophobicContact CD1-CG1 4.05Å; L296-V305 HydrophobicContact CD2-CG1 3.69Å; L296-V305 HydrophobicContact CG-CG1 3.56Å; E297-V305 CarbonylContact O-C 3.56Å; E297-V305 WeakPolarHBondContact O-CA 3.47Å; V298-V305 HydrophobicContact CG1-CG2 4.33Å; V298-V305 HydrophobicContact CG2-CG2 4Å
306K96.6Very high88.6Confident25 Ų2563.6 Ų63.611%0.10930%0.299CS..EExtended strand (participates in β ladder)trans-143.5152.7-170.665.6-176.9-176.9-170.50113.8E232 A233 R234 E297 E299 V308E232-K306 HydrophobicContact CG-CB 4.25Å; E232-K306 HydrophobicContact CG-CD 4.28Å; E232-K306 WeakPolarHBondContact OE1-CD 3.42Å; A233-K306 CarbonylContact O-C 3.59Å; A233-K306 VanDerWaalsContact O-CA 3.24Å; A233-K306 WeakPolarHBondContact O-CA 3.31Å; A233-K306 WeakPolarHBondContact O-CB 3.46Å; R234-K306 HydrophobicContact CB-CB 4.47Å; R234-K306 HydrophobicContact CG-CB 4.48Å; E297-K306 PolarHBondContact N-O 3.18Å; E297-K306 PolarHBondContact O-N 3.24Å; E299-K306 VanDerWaalsContact CD-CE 3.46Å; E299-K306 VanDerWaalsContact OE1-CE 3.27Å; E299-K306 WeakPolarHBondContact OE1-CE 3.27Å; E299-K306 IonicContact OE1-NZ 2.93Å; E299-K306 PolarHBondContact OE1-NZ 3.35Å; E299-K306 WeakPolarHBondContact OE2-CE 3.49Å; E299-K306 IonicContact OE2-NZ 3.29Å; E299-K306 PolarHBondContact OE2-NZ 3.5Å; K306-V308 HydrophobicContact CD-CG2 4.07Å; K306-V308 HydrophobicContact CG-CG2 4.1Å
307A96.4Very high87.2Confident0 Ų063.4 Ų63.40%030%0.298CS..EExtended strand (participates in β ladder)trans-116.3117.7170.900000108.5E232 A233 V250 L296 F309E232-A307 WeakPolarHBondContact CA-O 3.43Å; A233-A307 PolarHBondContact N-O 2.56Å; A233-A307 PolarHBondContact O-N 2.84Å; V250-A307 HydrophobicContact CB-CB 3.71Å; V250-A307 HydrophobicContact CG1-CB 4.31Å; V250-A307 HydrophobicContact CG2-CB 3.53Å; L296-A307 HydrophobicContact CD1-CB 4.06Å; A307-F309 HydrophobicContact CB-CE2 4.09Å
308V96Very high85.5Confident45 Ų4563 Ų6327%0.27331%0.306SS..EExtended strand (participates in β ladder)trans-106.7113.9-174.7-160.10000110.5E232 K306 K310E232-V308 HydrophobicContact CG-CG2 4.16Å; K306-V308 HydrophobicContact CD-CG2 4.07Å; K306-V308 HydrophobicContact CG-CG2 4.1Å; V308-K310 HydrophobicContact CB-CG 4.49Å; V308-K310 HydrophobicContact CG1-CD 4.24Å; V308-K310 HydrophobicContact CG1-CG 3.65Å; V308-K310 PolarHBondContact O-N 2.85Å
309F93.7Very high83.8Confident0 Ų070.5 Ų70.50%033%0.328CS..EExtended strand (participates in β ladder)trans-93.391.1175.5-66.1-95.5000108.6N230 A231 V250 V252 V294 A307 K312 F342N230-F309 CarbonylContact C-O 3.47Å; N230-F309 WeakPolarHBondContact CA-O 3.47Å; A231-F309 PolarHBondContact N-O 2.91Å; A231-F309 PolarHBondContact O-N 2.73Å; V250-F309 HydrophobicContact CB-CE2 4.31Å; V250-F309 HydrophobicContact CB-CZ 4.12Å; V250-F309 HydrophobicContact CG1-CE2 3.92Å; V250-F309 HydrophobicContact CG1-CZ 3.87Å; V250-F309 WeakPolarHBondContact O-CZ 3.48Å; V252-F309 HydrophobicContact CB-CD1 4.07Å; V252-F309 HydrophobicContact CB-CE1 3.7Å; V252-F309 HydrophobicContact CB-CZ 3.98Å; V252-F309 HydrophobicContact CG1-CD1 3.47Å; V252-F309 VanDerWaalsContact CG1-CD1 3.47Å; V252-F309 HydrophobicContact CG1-CE1 3.38Å; V252-F309 HydrophobicContact CG1-CG 4.33Å; V252-F309 HydrophobicContact CG1-CZ 4.18Å; V294-F309 HydrophobicContact CB-CE1 4.22Å; V294-F309 HydrophobicContact CB-CZ 4.22Å; V294-F309 HydrophobicContact CG2-CD1 3.8Å; V294-F309 HydrophobicContact CG2-CE1 3.69Å; V294-F309 HydrophobicContact CG2-CG 4.37Å; V294-F309 HydrophobicContact CG2-CZ 4.18Å; A307-F309 HydrophobicContact CB-CE2 4.09Å; F309-K312 HydrophobicContact CB-CG 4.09Å; F309-K312 HydrophobicContact CD1-CG 4.42Å; F309-F342 HydrophobicContact CD2-CD1 4.08Å; F309-F342 AromaticContact CD2-CE1 3.66Å; F309-F342 HydrophobicContact CD2-CE1 3.66Å; F309-F342 AromaticContact CE2-CD1 3.66Å; F309-F342 HydrophobicContact CE2-CD1 3.66Å; F309-F342 AromaticContact CE2-CE1 3.76Å; F309-F342 HydrophobicContact CE2-CE1 3.76Å; F309-F342 HydrophobicContact CG-CE1 4.34Å; F309-F342 HydrophobicContact CZ-CD1 4.25Å; F309-F342 HydrophobicContact CZ-CE1 4.48Å
310K90.4Very high82.3Confident147 Ų14770.4 Ų70.464%0.63933%0.327SS*.EExtended strand (participates in β ladder)trans-94.8137.4178.2-61.2-172-177176.40111.5N230 V308 K312N230-K310 WeakPolarHBondContact OD1-CA 3.44Å; V308-K310 HydrophobicContact CB-CG 4.49Å; V308-K310 HydrophobicContact CG1-CD 4.24Å; V308-K310 HydrophobicContact CG1-CG 3.65Å; V308-K310 PolarHBondContact O-N 2.85Å; K310-K312 VanDerWaalsContact C-N 3.27Å; K310-K312 PolarHBondContact O-N 2.97Å
311S83Confident80.8Confident53 Ų5361.6 Ų61.637%0.37130%0.303SS..EExtended strand (participates in β ladder)trans55.736.3168.5-72.70000114.8F229 N230F229-S311 PolarHBondContact O-N 2.8Å; N230-S311 PolarHBondContact OD1-N 2.68Å
312K81.5Confident79.2Confident18 Ų1855.5 Ų55.58%0.07828%0.279CS..EExtended strand (participates in β ladder)trans-80.1132.1-179.8-64-59.5-173.5173.90110.5K228 F229 I279 Q292 F309 K310K228-K312 CarbonylContact C-O 3.56Å; K228-K312 VanDerWaalsContact CA-O 3.23Å; K228-K312 WeakPolarHBondContact CA-O 3.21Å; F229-K312 HydrophobicContact CD1-CB 4Å; F229-K312 WeakPolarHBondContact CD1-O 3.48Å; F229-K312 HydrophobicContact CE1-CB 3.52Å; F229-K312 HydrophobicContact CE2-CB 4.1Å; F229-K312 HydrophobicContact CG-CB 4.49Å; F229-K312 HydrophobicContact CZ-CB 3.58Å; F229-K312 HydrophobicContact CZ-CG 4.28Å; F229-K312 PolarHBondContact N-O 3.22Å; F229-K312 PolarHBondContact O-N 3.17Å; I279-K312 HydrophobicContact CG2-CB 4.01Å; Q292-K312 HydrophobicContact CG-CD 4.36Å; F309-K312 HydrophobicContact CB-CG 4.09Å; F309-K312 HydrophobicContact CD1-CG 4.42Å; K310-K312 VanDerWaalsContact C-N 3.27Å; K310-K312 PolarHBondContact O-N 2.97Å
313L78.9Confident77.6Confident13 Ų1354.3 Ų54.37%0.06827%0.27CS..EExtended strand (participates in β ladder)trans-91.9125.8-176.7-170.472.5000110H226 K228 I279 G280H226-L313 VanDerWaalsContact C-CD1 3.41Å; H226-L313 WeakPolarHBondContact O-CD1 3.36Å; K228-L313 HydrophobicContact CG-CD1 4.35Å; I279-L313 WeakPolarHBondContact CA-O 3.06Å; G280-L313 PolarHBondContact N-O 2.93Å; G280-L313 PolarHBondContact O-N 3Å
314L78.9Confident75.9Confident1 Ų155.9 Ų55.91%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-94.8127.5175.8-168.475.1000110.9L223 H226 N227 L254 A277 I279 L366L223-L314 HydrophobicContact CB-CD2 4Å; L223-L314 HydrophobicContact CD1-CD2 4.09Å; H226-L314 PolarHBondContact N-O 3.49Å; N227-L314 PolarHBondContact O-N 3.24Å; L254-L314 HydrophobicContact CB-CD1 4.38Å; L254-L314 HydrophobicContact CD2-CD1 4.04Å; L254-L314 HydrophobicContact CD2-CD2 4Å; A277-L314 HydrophobicContact CB-CD1 3.75Å; A277-L314 HydrophobicContact CB-CG 4.28Å; I279-L314 HydrophobicContact CG1-CD1 4.05Å; L314-L366 HydrophobicContact CD2-CD1 3.44Å; L314-L366 VanDerWaalsContact CD2-CD1 3.44Å
315K76.1Confident74.1Confident76 Ų7659.3 Ų59.333%0.3330%0.298SS..EExtended strand (participates in β ladder)trans-129.6110.3172-171.4-178.1178.7-173.70109.8K278 E288 D317K278-K315 PolarHBondContact N-O 3.25Å; K278-K315 PolarHBondContact O-N 2.95Å; E288-K315 WeakPolarHBondContact OE1-CD 3.28Å; E288-K315 IonicContact OE1-NZ 3.67Å; E288-K315 PolarHBondContact OE1-NZ 3.1Å; E288-K315 WeakPolarHBondContact OE2-CD 3.47Å; E288-K315 IonicContact OE2-NZ 2.63Å; E288-K315 PolarHBondContact OE2-NZ 3.41Å; K315-D317 PolarHBondContact O-N 2.85Å
316V69.8Low72.1Confident30 Ų3062.8 Ų62.818%0.18233%0.327CS..EExtended strand (participates in β ladder)trans-68.2131.4179-170.70000108Q225 P318 L366Q225-V316 HydrophobicContact CG-CG2 4.2Å; V316-P318 WeakPolarHBondContact O-CD 3.47Å; V316-L366 HydrophobicContact CB-CD2 4.28Å; V316-L366 HydrophobicContact CG1-CD2 3.93Å; V316-L366 HydrophobicContact CG2-CD1 3.64Å; V316-L366 HydrophobicContact CG2-CD2 3.31Å; V316-L366 HydrophobicContact CG2-CG 3.83Å
317D66.2Low70.4Confident13 Ų1367.5 Ų67.57%0.0735%0.353CS..  trans-94.8108.9171.8-165.8-28.8000107.7K315 R319 K320K315-D317 PolarHBondContact O-N 2.85Å; D317-R319 PolarHBondContact O-N 2.81Å; D317-R319 VanDerWaalsContact O-N 3.07Å; D317-R319 WeakPolarHBondContact OD1-CB 3.46Å; D317-R319 IonicContact OD1-CZ 2.92Å; D317-R319 PolarHBondContact OD1-N 2.77Å; D317-R319 VanDerWaalsContact OD1-N 3.09Å; D317-R319 IonicContact OD1-NE 2.69Å; D317-R319 PolarHBondContact OD1-NE 3.12Å; D317-R319 VanDerWaalsContact OD1-NE 3.13Å; D317-R319 IonicContact OD1-NH2 2.78Å; D317-R319 IonicContact OD2-CZ 2.61Å; D317-R319 IonicContact OD2-NE 3.49Å; D317-R319 IonicContact OD2-NH2 3.46Å; D317-R319 PolarHBondContact OD2-NH2 3.24Å; D317-K320 HydrophobicContact CB-CB 4.18Å; D317-K320 HydrophobicContact CB-CD 4.26Å; D317-K320 HydrophobicContact CB-CG 4.04Å; D317-K320 PolarHBondContact O-N 3.13Å
318P59Low68.5Low110 Ų11070.7 Ų70.771%0.71437%0.37SS*.G310 helixtrans-58.7-25.3-178.61.9-1.5000112.4V316 K320V316-P318 WeakPolarHBondContact O-CD 3.47Å; P318-K320 VanDerWaalsContact C-N 3.3Å; P318-K320 PolarHBondContact O-N 3.35Å
319R57.2Low66.8Low207 Ų20775 Ų7578%0.78139%0.387SS*.G310 helixtrans-75.5-18.5179.1-59.9173.1-68.7179.4-1113.2D317D317-R319 PolarHBondContact O-N 2.81Å; D317-R319 VanDerWaalsContact O-N 3.07Å; D317-R319 WeakPolarHBondContact OD1-CB 3.46Å; D317-R319 IonicContact OD1-CZ 2.92Å; D317-R319 PolarHBondContact OD1-N 2.77Å; D317-R319 VanDerWaalsContact OD1-N 3.09Å; D317-R319 IonicContact OD1-NE 2.69Å; D317-R319 PolarHBondContact OD1-NE 3.12Å; D317-R319 VanDerWaalsContact OD1-NE 3.13Å; D317-R319 IonicContact OD1-NH2 2.78Å; D317-R319 IonicContact OD2-CZ 2.61Å; D317-R319 IonicContact OD2-NE 3.49Å; D317-R319 IonicContact OD2-NH2 3.46Å; D317-R319 PolarHBondContact OD2-NH2 3.24Å
320K62.1Low65.4Low66 Ų6682.3 Ų82.329%0.28742%0.422SS..G310 helixtrans-98.55.7179.2-64.5-168.8175.3-168.70113.1T275 D290 D317 P318 V322T275-K320 HydrophobicContact CG2-CD 4.38Å; D290-K320 IonicContact OD1-NZ 3.23Å; D290-K320 PolarHBondContact OD1-NZ 3.21Å; D290-K320 IonicContact OD2-NZ 2.68Å; D290-K320 PolarHBondContact OD2-NZ 3.01Å; D317-K320 HydrophobicContact CB-CB 4.18Å; D317-K320 HydrophobicContact CB-CD 4.26Å; D317-K320 HydrophobicContact CB-CG 4.04Å; D317-K320 PolarHBondContact O-N 3.13Å; P318-K320 VanDerWaalsContact C-N 3.3Å; P318-K320 PolarHBondContact O-N 3.35Å; K320-V322 WeakPolarHBondContact O-CG2 3.36Å; K320-V322 PolarHBondContact O-N 2.81Å
321S55.6Low64.6Low59 Ų5978 Ų7841%0.41341%0.407SS..  trans-61.2115.4173.5118.50000108.6C323S321-C323 PolarHBondContact O-N 3.42Å
322V54.5Low64.4Low64 Ų6478.1 Ų78.139%0.38841%0.407SS..  trans-75.718-172-171.50000112.1V276 K320 K324V276-V322 HydrophobicContact CG1-CG2 4.07Å; K320-V322 WeakPolarHBondContact O-CG2 3.36Å; K320-V322 PolarHBondContact O-N 2.81Å; V322-K324 VanDerWaalsContact C-N 3.27Å; V322-K324 PolarHBondContact O-N 2.9Å
323C53.3Low64.3Low21 Ų2179.9 Ų79.914%0.14242%0.419CS..  trans-80.679178.2-58.90000109.6S321 N325 D328 Q329 R336S321-C323 PolarHBondContact O-N 3.42Å; C323-N325 VanDerWaalsContact C-N 3.32Å; C323-D328 HydrophobicContact CB-CB 3.93Å; C323-Q329 HydrophobicContact CB-CG 3.99Å; C323-Q329 PolarHBondContact O-NE2 3.02Å; C323-R336 PolarHBondContact SG-NH1 3.26Å; C323-R336 PolarHBondContact SG-NH2 3.41Å; C323-R336 VanDerWaalsContact SG-NH2 3.38Å
324K53.9Low64.4Low189 Ų18979.9 Ų79.982%0.82242%0.42SS*.  trans-74.7-24.1173.6-68.7-177.1179.9175.20112.1V322V322-K324 VanDerWaalsContact C-N 3.27Å; V322-K324 PolarHBondContact O-N 2.9Å
325N55.9Low64.8Low107 Ų10781.1 Ų81.157%0.57243%0.426SS*.SBendtrans-100.9143.5-175.9-63.5-20.7000111.3C323 D327 D328C323-N325 VanDerWaalsContact C-N 3.32Å; N325-D327 VanDerWaalsContact C-N 3.31Å; N325-D327 PolarHBondContact O-N 2.91Å; N325-D328 PolarHBondContact O-N 2.89Å
326A56.3Low65.3Low75 Ų7579.7 Ų79.762%0.6242%0.418SS*.Hα-helixtrans-63.5-33.3-176.700000113.3Q329A326-Q329 PolarHBondContact O-N 3.38Å
327D58.9Low66.3Low124 Ų12478.6 Ų78.666%0.66341%0.411SS*.Hα-helixtrans-66.2-38.6176.8-86.7-10.3000112.4N325 Q329 Q330N325-D327 VanDerWaalsContact C-N 3.31Å; N325-D327 PolarHBondContact O-N 2.91Å; D327-Q329 PolarHBondContact O-N 3.3Å; D327-Q330 WeakPolarHBondContact O-CB 3.17Å; D327-Q330 PolarHBondContact O-N 3.08Å
328D58.2Low67.6Low67 Ų6779 Ų7936%0.35841%0.412SS..Hα-helixtrans-66-26.1178.3-78.9-33.9000112.7C323 N325 Q330 V331 R336C323-D328 HydrophobicContact CB-CB 3.93Å; N325-D328 PolarHBondContact O-N 2.89Å; D328-Q330 VanDerWaalsContact C-N 3.27Å; D328-Q330 PolarHBondContact O-N 3.34Å; D328-V331 PolarHBondContact O-N 3.22Å; D328-R336 PolarHBondContact O-NH2 2.83Å
329Q60Low69.2Low135 Ų13573.7 Ų73.763%0.63138%0.378SS*.Hα-helixtrans-71.2-22.7175.1-70.2-17712.500112.7C323 A326 D327C323-Q329 HydrophobicContact CB-CG 3.99Å; C323-Q329 PolarHBondContact O-NE2 3.02Å; A326-Q329 PolarHBondContact O-N 3.38Å; D327-Q329 PolarHBondContact O-N 3.3Å
330Q64.2Low70.9Confident154 Ų15463.9 Ų63.972%0.7234%0.341SS*.Hα-helixtrans-77.8-25.7176.7-63.6-172.612.400112.7D327 D328 P332D327-Q330 WeakPolarHBondContact O-CB 3.17Å; D327-Q330 PolarHBondContact O-N 3.08Å; D328-Q330 VanDerWaalsContact C-N 3.27Å; D328-Q330 PolarHBondContact O-N 3.34Å; Q330-P332 WeakPolarHBondContact O-CD 3.19Å
331V73.8Confident72.5Confident55 Ų5560.8 Ų60.833%0.33333%0.327SS..SBendtrans-67.9120.5178.9-177.20000109.8D328 E335 R336D328-V331 PolarHBondContact O-N 3.22Å; V331-E335 HydrophobicContact CG1-CB 3.77Å; V331-R336 HydrophobicContact CG1-CG 4.19Å; V331-R336 PolarHBondContact O-NE 3.23Å
332P79.3Confident74.4Confident57 Ų5758 Ų5837%0.3731%0.308SS..  trans-55.1143.1179.3-25.434.2000111.9Q330 C334 E335 R336Q330-P332 WeakPolarHBondContact O-CD 3.19Å; P332-C334 PolarHBondContact O-N 3Å; P332-C334 VanDerWaalsContact O-N 3.09Å; P332-E335 HydrophobicContact CB-CG 4.25Å; P332-E335 HydrophobicContact CG-CG 4.33Å; P332-E335 WeakPolarHBondContact O-CB 3.49Å; P332-E335 PolarHBondContact O-N 3.48Å; P332-R336 PolarHBondContact O-N 3.06Å
333V78.7Confident76.3Confident54 Ų5456.1 Ų56.133%0.32730%0.296SS..G310 helixtrans-53.7-37-178.2178.10000112.3E335 R336V333-E335 VanDerWaalsContact C-N 3.28Å; V333-E335 PolarHBondContact O-N 3.14Å; V333-R336 PolarHBondContact O-N 3.05Å
334C80.4Confident78.3Confident13 Ų1355.4 Ų55.49%0.08829%0.292CS..G310 helixtrans-71.8-1517843.10000114.9P332 K365 Q372 L375 S376P332-C334 PolarHBondContact O-N 3Å; P332-C334 VanDerWaalsContact O-N 3.09Å; C334-K365 WeakPolarHBondContact O-CD 3.03Å; C334-K365 WeakPolarHBondContact O-CE 3.3Å; C334-Q372 HydrophobicContact CB-CB 4.18Å; C334-L375 HydrophobicContact CB-CB 4.5Å; C334-S376 VanDerWaalsContact CB-OG 3.27Å; C334-S376 WeakPolarHBondContact CB-OG 3.25Å
335E87.7Confident80.2Confident28 Ų2848.3 Ų48.313%0.13127%0.266CS..G310 helixtrans-89.2-20.6175-68.7-171-149.800112.6V331 P332 V333 K365 L375 M379 K455V331-E335 HydrophobicContact CG1-CB 3.77Å; P332-E335 HydrophobicContact CB-CG 4.25Å; P332-E335 HydrophobicContact CG-CG 4.33Å; P332-E335 WeakPolarHBondContact O-CB 3.49Å; P332-E335 PolarHBondContact O-N 3.48Å; V333-E335 VanDerWaalsContact C-N 3.28Å; V333-E335 PolarHBondContact O-N 3.14Å; E335-K365 PolarHBondContact O-NZ 3.02Å; E335-L375 HydrophobicContact CG-CD2 3.86Å; E335-L375 HydrophobicContact CG-CG 4.36Å; E335-M379 HydrophobicContact CB-CE 4.21Å; E335-M379 HydrophobicContact CG-CE 4.25Å; E335-M379 HydrophobicContact CG-CG 4.49Å; E335-M379 HydrophobicContact CG-SD 4.46Å; E335-K455 VanDerWaalsContact OE1-CE 3.28Å; E335-K455 WeakPolarHBondContact OE1-CE 3.41Å; E335-K455 IonicContact OE1-NZ 3.47Å; E335-K455 PolarHBondContact OE1-NZ 3.39Å; E335-K455 VanDerWaalsContact OE2-CE 3.29Å; E335-K455 WeakPolarHBondContact OE2-CE 3.3Å; E335-K455 IonicContact OE2-NZ 2.85Å; E335-K455 PolarHBondContact OE2-NZ 2.89Å
336R87.2Confident82Confident45 Ų4547.6 Ų47.617%0.1727%0.267CS..  trans-67.7135.1-179.1-63.1-178.2-178.2167.6-1.7111.9C323 D328 V331 P332 V333 Y338 K365C323-R336 PolarHBondContact SG-NH1 3.26Å; C323-R336 PolarHBondContact SG-NH2 3.41Å; C323-R336 VanDerWaalsContact SG-NH2 3.38Å; D328-R336 PolarHBondContact O-NH2 2.83Å; V331-R336 HydrophobicContact CG1-CG 4.19Å; V331-R336 PolarHBondContact O-NE 3.23Å; P332-R336 PolarHBondContact O-N 3.06Å; V333-R336 PolarHBondContact O-N 3.05Å; R336-Y338 HydrophobicContact CB-CE2 3.76Å; R336-K365 WeakPolarHBondContact O-CD 3.47Å; R336-K365 PolarHBondContact O-NZ 2.98Å
337N90.9Very high83.8Confident7 Ų744.5 Ų44.54%0.03724%0.24CC..  trans-91145.4173-59.7-68.3000111.1E257 K365 F393E257-N337 HydrophobicContact CB-CB 4.08Å; E257-N337 HydrophobicContact CG-CB 4.28Å; E257-N337 PolarHBondContact N-O 3.12Å; E257-N337 VanDerWaalsContact N-O 3.14Å; E257-N337 VanDerWaalsContact OE2-CB 3.32Å; E257-N337 WeakPolarHBondContact OE2-CB 3.28Å; E257-N337 PolarHBondContact OE2-ND2 2.96Å; N337-K365 VanDerWaalsContact CG-NZ 3.33Å; N337-K365 PolarHBondContact OD1-NZ 3.36Å; N337-F393 HydrophobicContact CB-CD1 4.04Å; N337-F393 HydrophobicContact CB-CE1 4.11Å
338Y91.8Very high85.3Confident21 Ų2144.6 Ų44.68%0.08223%0.234CC..EExtended strand (participates in β ladder)trans-134.8166.9172.4-58-85.4000109.5V255 V276 R336 P363 V364 L366V255-Y338 VanDerWaalsContact O-CA 3.28Å; V255-Y338 WeakPolarHBondContact O-CA 3.49Å; V255-Y338 WeakPolarHBondContact O-CB 3.43Å; V276-Y338 HydrophobicContact CB-CD1 4.5Å; V276-Y338 HydrophobicContact CB-CE1 4.2Å; V276-Y338 HydrophobicContact CG1-CE1 4.16Å; V276-Y338 HydrophobicContact CG2-CD1 3.63Å; V276-Y338 HydrophobicContact CG2-CE1 3.77Å; R336-Y338 HydrophobicContact CB-CE2 3.76Å; Y338-P363 WeakPolarHBondContact O-CA 3.28Å; Y338-V364 PolarHBondContact N-O 3.47Å; Y338-V364 WeakPolarHBondContact O-CG2 3.26Å; Y338-V364 PolarHBondContact O-N 2.95Å; Y338-L366 HydrophobicContact CD2-CB 3.84Å; Y338-L366 HydrophobicContact CE2-CB 3.67Å; Y338-L366 HydrophobicContact CE2-CD2 4.2Å
339A93.5Very high86.7Confident0 Ų041.9 Ų41.90%022%0.219CC..EExtended strand (participates in β ladder)trans-144.5151.8165.700000111.2V255 L360 F393V255-A339 HydrophobicContact CG2-CB 4.44Å; V255-A339 WeakPolarHBondContact CG2-O 3.34Å; V255-A339 PolarHBondContact N-O 2.94Å; V255-A339 PolarHBondContact O-N 3.22Å; A339-L360 HydrophobicContact CB-CB 4.46Å; A339-L360 HydrophobicContact CB-CD2 3.81Å; A339-F393 HydrophobicContact CB-CZ 3.79Å
340L93.7Very high87.8Confident0 Ų038.2 Ų38.20%022%0.218CC..EExtended strand (participates in β ladder)trans-81.4119.8166.7-66.1177.6000108.4P219 F229 V252 K253 L254 F342 L360 S361P219-L340 HydrophobicContact CB-CD1 3.84Å; P219-L340 HydrophobicContact CG-CD1 3.79Å; F229-L340 HydrophobicContact CD2-CD1 3.94Å; F229-L340 HydrophobicContact CE2-CD1 3.6Å; F229-L340 HydrophobicContact CZ-CD1 4.12Å; F229-L340 HydrophobicContact CZ-CD2 4.37Å; V252-L340 HydrophobicContact CG2-CB 4.04Å; V252-L340 HydrophobicContact CG2-CD1 4.45Å; V252-L340 HydrophobicContact CG2-CD2 4.08Å; V252-L340 HydrophobicContact CG2-CG 4.43Å; K253-L340 CarbonylContact O-C 3.49Å; K253-L340 WeakPolarHBondContact O-CA 3.5Å; L254-L340 HydrophobicContact CB-CD2 4.24Å; L254-L340 HydrophobicContact CD1-CD2 3.73Å; L254-L340 HydrophobicContact CD1-CG 4.37Å; L340-F342 HydrophobicContact CB-CD2 4.42Å; L340-F342 HydrophobicContact CB-CE2 3.62Å; L340-F342 HydrophobicContact CB-CZ 3.95Å; L340-F342 HydrophobicContact CD1-CZ 4.15Å; L340-L360 CarbonylContact O-C 3.5Å; L340-L360 WeakPolarHBondContact O-CA 3.37Å; L340-S361 PolarHBondContact N-OG 3.28Å; L340-S361 PolarHBondContact O-N 3.35Å
341L94.6Very high88.7Confident2 Ų233.6 Ų33.61%0.0121%0.211CC..EExtended strand (participates in β ladder)trans-91.2118.5172.1173.663.4000108.7V252 K253 V255 L263 L270 A273 W358 L360V252-L341 CarbonylContact C-O 3.45Å; V252-L341 VanDerWaalsContact CA-O 3.3Å; V252-L341 WeakPolarHBondContact CA-O 3.24Å; K253-L341 PolarHBondContact N-O 2.84Å; K253-L341 PolarHBondContact O-N 2.94Å; V255-L341 HydrophobicContact CG1-CB 4.07Å; V255-L341 HydrophobicContact CG1-CD2 4.14Å; V255-L341 HydrophobicContact CG2-CB 4.21Å; L263-L341 HydrophobicContact CD1-CD1 4.12Å; L263-L341 HydrophobicContact CD1-CD2 3.97Å; L270-L341 HydrophobicContact CD2-CD1 4Å; L270-L341 HydrophobicContact CD2-CD2 3.6Å; L270-L341 HydrophobicContact CD2-CG 4.33Å; A273-L341 HydrophobicContact CB-CD2 4.11Å; L341-W358 HydrophobicContact CD1-CB 4.04Å; L341-W358 HydrophobicContact CD1-CD2 4.28Å; L341-W358 HydrophobicContact CD1-CE3 3.86Å; L341-W358 HydrophobicContact CD1-CG 4.39Å; L341-L360 HydrophobicContact CB-CD2 3.96Å; L341-L360 HydrophobicContact CD1-CD2 4.04Å; L341-L360 HydrophobicContact CD1-CG 4.43Å
342F95.6Very high89.5Confident0 Ų031.1 Ų31.10%020%0.197CC..EExtended strand (participates in β ladder)trans-100.1129.2171.9-60-93.6000108.6F213 V215 A231 A233 V250 S251 V252 F309 L340 W358 A359F213-F342 HydrophobicContact CE1-CB 3.9Å; F213-F342 HydrophobicContact CZ-CB 4.16Å; V215-F342 HydrophobicContact CG1-CE2 4.19Å; V215-F342 HydrophobicContact CG2-CD2 3.46Å; V215-F342 VanDerWaalsContact CG2-CD2 3.46Å; V215-F342 HydrophobicContact CG2-CE2 3.56Å; V215-F342 HydrophobicContact CG2-CG 4.37Å; A231-F342 HydrophobicContact CB-CE1 4.15Å; A231-F342 HydrophobicContact CB-CZ 3.67Å; A233-F342 HydrophobicContact CB-CB 4.38Å; A233-F342 HydrophobicContact CB-CD1 4.05Å; A233-F342 HydrophobicContact CB-CG 4.23Å; V250-F342 HydrophobicContact CG1-CB 4.09Å; V250-F342 HydrophobicContact CG1-CD1 4.29Å; S251-F342 CarbonylContact O-C 3.59Å; S251-F342 VanDerWaalsContact O-CA 3.28Å; S251-F342 WeakPolarHBondContact O-CA 3.45Å; V252-F342 HydrophobicContact CB-CD1 4.12Å; V252-F342 HydrophobicContact CB-CE1 4.09Å; V252-F342 HydrophobicContact CG2-CD1 3.97Å; V252-F342 HydrophobicContact CG2-CE1 3.65Å; V252-F342 HydrophobicContact CG2-CE2 4.48Å; V252-F342 HydrophobicContact CG2-CZ 3.93Å; F309-F342 HydrophobicContact CD2-CD1 4.08Å; F309-F342 AromaticContact CD2-CE1 3.66Å; F309-F342 HydrophobicContact CD2-CE1 3.66Å; F309-F342 AromaticContact CE2-CD1 3.66Å; F309-F342 HydrophobicContact CE2-CD1 3.66Å; F309-F342 AromaticContact CE2-CE1 3.76Å; F309-F342 HydrophobicContact CE2-CE1 3.76Å; F309-F342 HydrophobicContact CG-CE1 4.34Å; F309-F342 HydrophobicContact CZ-CD1 4.25Å; F309-F342 HydrophobicContact CZ-CE1 4.48Å; L340-F342 HydrophobicContact CB-CD2 4.42Å; L340-F342 HydrophobicContact CB-CE2 3.62Å; L340-F342 HydrophobicContact CB-CZ 3.95Å; L340-F342 HydrophobicContact CD1-CZ 4.15Å; F342-W358 CarbonylContact O-C 3.59Å; F342-W358 WeakPolarHBondContact O-CA 3.12Å; F342-W358 VanDerWaalsContact O-CB 3.25Å; F342-W358 WeakPolarHBondContact O-CB 3.27Å; F342-A359 PolarHBondContact N-O 2.9Å; F342-A359 PolarHBondContact O-N 2.84Å
343T95.3Very high90.2Very high24 Ų2432.2 Ų32.215%0.14720%0.199CC..EExtended strand (participates in β ladder)trans-135.5123.9-177.3-51.10000110.2V250 S251V250-T343 CarbonylContact C-O 3.43Å; V250-T343 WeakPolarHBondContact CA-O 3.43Å; S251-T343 PolarHBondContact N-O 3.46Å; S251-T343 PolarHBondContact O-N 3.27Å; S251-T343 PolarHBondContact OG-O 2.87Å
344C95.1Very high90.9Very high6 Ų629.8 Ų29.84%0.04118%0.184CC..EExtended strand (participates in β ladder)trans-74.7141.6172.8-65.40000110.6F213 V248 K249 V357F213-C344 VanDerWaalsContact CE2-SG 3.54Å; F213-C344 VanDerWaalsContact CZ-SG 3.54Å; V248-C344 HydrophobicContact CG1-CB 3.86Å; K249-C344 CarbonylContact O-C 3.56Å; K249-C344 WeakPolarHBondContact O-CA 3.37Å; C344-V357 HydrophobicContact CB-CB 4Å; C344-V357 HydrophobicContact CB-CG1 4.34Å; C344-V357 WeakPolarHBondContact CB-O 3.33Å; C344-V357 PolarHBondContact N-O 2.85Å
345S93.8Very high91.4Very high40 Ų4032.4 Ų32.428%0.2820%0.197SC..PPolyproline II helixtrans-61.1144.3164.360.80000109.7K249K249-S345 PolarHBondContact N-OG 2.89Å; K249-S345 PolarHBondContact O-N 2.62Å; K249-S345 PolarHBondContact O-OG 3.33Å
346P93.6Very high91.4Very high92 Ų9233.9 Ų33.960%0.59721%0.206SC*.PPolyproline II helixtrans-60.3142.6179.625.6-34.2000111.2F354 D355P346-F354 VanDerWaalsContact CA-O 3.3Å; P346-F354 WeakPolarHBondContact CA-O 3.42Å; P346-D355 HydrophobicContact CB-CB 4.29Å
347F93.4Very high91.8Very high11 Ų1131.8 Ų31.85%0.04820%0.198CC..EExtended strand (participates in β ladder)trans-140.5154.4174.962.4-82.5000110.5V209 I243 F246 V248 F354 V357V209-F347 HydrophobicContact CG1-CZ 3.96Å; I243-F347 HydrophobicContact CD1-CD2 4.49Å; I243-F347 HydrophobicContact CD1-CE2 3.83Å; I243-F347 HydrophobicContact CD1-CZ 4.32Å; F246-F347 HydrophobicContact CB-CB 3.85Å; F246-F347 HydrophobicContact CB-CG 4.48Å; F246-F347 AromaticContact CD2-CD2 3.85Å; F246-F347 HydrophobicContact CD2-CD2 3.85Å; F246-F347 HydrophobicContact CD2-CG 4.49Å; F246-F347 HydrophobicContact CE2-CD2 4.28Å; F246-F347 HydrophobicContact CG-CB 4.07Å; F246-F347 HydrophobicContact CG-CD2 4.24Å; V248-F347 HydrophobicContact CG1-CD1 4.34Å; V248-F347 HydrophobicContact CG2-CB 4.04Å; V248-F347 HydrophobicContact CG2-CD1 3.81Å; V248-F347 HydrophobicContact CG2-CE1 4.45Å; V248-F347 HydrophobicContact CG2-CG 3.94Å; F347-F354 HydrophobicContact CD1-CB 4.2Å; F347-F354 HydrophobicContact CD2-CB 4.29Å; F347-F354 AromaticContact CD2-CD2 3.79Å; F347-F354 HydrophobicContact CD2-CD2 3.79Å; F347-F354 HydrophobicContact CD2-CG 4.42Å; F347-F354 HydrophobicContact CE1-CB 3.82Å; F347-F354 HydrophobicContact CE2-CB 3.91Å; F347-F354 AromaticContact CE2-CD2 3.39Å; F347-F354 HydrophobicContact CE2-CD2 3.39Å; F347-F354 HydrophobicContact CE2-CE2 4.1Å; F347-F354 AromaticContact CE2-CG 3.82Å; F347-F354 HydrophobicContact CE2-CG 3.82Å; F347-F354 HydrophobicContact CG-CB 4.42Å; F347-F354 HydrophobicContact CZ-CB 3.67Å; F347-F354 AromaticContact CZ-CD2 3.96Å; F347-F354 HydrophobicContact CZ-CD2 3.96Å; F347-F354 AromaticContact CZ-CG 3.89Å; F347-F354 HydrophobicContact CZ-CG 3.89Å; F347-F354 PolarHBondContact N-O 3.17Å; F347-F354 PolarHBondContact O-N 3.45Å; F347-V357 HydrophobicContact CE1-CG2 4.37Å
348K91.2Very high92Very high125 Ų12534.4 Ų34.454%0.54321%0.208SC..EExtended strand (participates in β ladder)trans-123.1126.2-176.5-170-176.6-175.1-1740110.1F246 G350 V352 L353F246-K348 WeakPolarHBondContact CE1-O 3.31Å; K348-G350 WeakPolarHBondContact CE-O 3.07Å; K348-V352 CarbonylContact C-O 3.59Å; K348-V352 WeakPolarHBondContact CA-O 3.35Å; K348-V352 WeakPolarHBondContact CG-O 3.49Å; K348-L353 HydrophobicContact CB-CD1 4.37Å
349M87.6Confident92.2Very high10 Ų1033.9 Ų33.95%0.04921%0.208CC..EExtended strand (participates in β ladder)trans-114.4115.3173.5-172.7-177.351.600109.3W163 L205 L241 F246 G351 V352 F354W163-M349 HydrophobicContact CD2-CE 3.97Å; W163-M349 HydrophobicContact CD2-SD 4.22Å; W163-M349 HydrophobicContact CE3-CE 3.26Å; W163-M349 HydrophobicContact CE3-SD 4.04Å; W163-M349 HydrophobicContact CH2-CB 4.41Å; W163-M349 HydrophobicContact CH2-CE 3.99Å; W163-M349 HydrophobicContact CH2-CG 3.64Å; W163-M349 HydrophobicContact CH2-SD 4.14Å; W163-M349 HydrophobicContact CZ2-CG 4.01Å; W163-M349 HydrophobicContact CZ2-SD 4.32Å; W163-M349 HydrophobicContact CZ3-CE 3.29Å; W163-M349 HydrophobicContact CZ3-CG 3.97Å; W163-M349 HydrophobicContact CZ3-SD 4.01Å; L205-M349 HydrophobicContact CD2-CE 3.74Å; L241-M349 HydrophobicContact CB-SD 3.62Å; L241-M349 HydrophobicContact CD1-CE 3.7Å; L241-M349 HydrophobicContact CD1-SD 3.92Å; L241-M349 HydrophobicContact CD2-CE 4.37Å; L241-M349 HydrophobicContact CD2-SD 4.06Å; L241-M349 HydrophobicContact CG-CE 4.43Å; L241-M349 HydrophobicContact CG-SD 4.07Å; F246-M349 HydrophobicContact CE2-CB 4.42Å; F246-M349 HydrophobicContact CZ-CB 3.96Å; F246-M349 HydrophobicContact CZ-CG 4.09Å; M349-G351 PolarHBondContact O-N 3.07Å; M349-V352 PolarHBondContact N-O 2.78Å; M349-V352 PolarHBondContact O-N 3.43Å; M349-F354 HydrophobicContact CB-CE2 3.8Å; M349-F354 HydrophobicContact CE-CE2 3.9Å; M349-F354 HydrophobicContact CE-CZ 3.91Å
350G81.6Confident92.2Very high59 Ų5935.1 Ų35.161%0.60821%0.214SC*.THydrogen-bonded Turntrans55-120.9-171.500000111.3K348K348-G350 WeakPolarHBondContact CE-O 3.07Å
351G84.4Confident92.4Very high56 Ų5635.2 Ų35.258%0.57722%0.215SC*.THydrogen-bonded Turntrans-84.3-10.5175.400000115.2M349M349-G351 PolarHBondContact O-N 3.07Å
352V91.3Very high92.4Very high4 Ų436.2 Ų36.22%0.02422%0.22CC..EExtended strand (participates in β ladder)trans-97120-169.5-169.90000110.7L166 T202 R206 K348 M349 F354L166-V352 HydrophobicContact CD2-CG2 4.02Å; T202-V352 HydrophobicContact CG2-CB 4.46Å; T202-V352 HydrophobicContact CG2-CG1 3.86Å; T202-V352 HydrophobicContact CG2-CG2 3.83Å; R206-V352 HydrophobicContact CG-CG1 4.11Å; K348-V352 CarbonylContact C-O 3.59Å; K348-V352 WeakPolarHBondContact CA-O 3.35Å; K348-V352 WeakPolarHBondContact CG-O 3.49Å; M349-V352 PolarHBondContact N-O 2.78Å; M349-V352 PolarHBondContact O-N 3.43Å; V352-F354 HydrophobicContact CB-CE2 4.21Å; V352-F354 HydrophobicContact CB-CZ 4.18Å; V352-F354 HydrophobicContact CG1-CE1 3.97Å; V352-F354 HydrophobicContact CG1-CE2 4.07Å; V352-F354 HydrophobicContact CG1-CZ 3.71Å
353L93.4Very high92.4Very high80 Ų8036.2 Ų36.242%0.41922%0.22SC..EExtended strand (participates in β ladder)trans-86.3131.2169.8-179.166.8000109.6K348 D355K348-L353 HydrophobicContact CB-CD1 4.37Å; L353-D355 HydrophobicContact CD2-CB 4.48Å; L353-D355 HydrophobicContact CG-CB 4.44Å
354F93.5Very high92.4Very high2 Ų235.2 Ų35.21%0.00921%0.214CC..EExtended strand (participates in β ladder)trans-110.994.3168.6-56.2-82.3000108.1L205 R206 V209 P346 F347 M349 V352 V357L205-F354 HydrophobicContact CD2-CZ 4.03Å; L205-F354 HydrophobicContact CG-CE1 4.28Å; L205-F354 HydrophobicContact CG-CZ 4.02Å; R206-F354 HydrophobicContact CG-CD1 4.33Å; R206-F354 HydrophobicContact CG-CE1 4.18Å; V209-F354 HydrophobicContact CB-CD1 3.87Å; V209-F354 HydrophobicContact CB-CE1 3.77Å; V209-F354 HydrophobicContact CG1-CD1 3.79Å; V209-F354 HydrophobicContact CG1-CE1 4.11Å; V209-F354 HydrophobicContact CG1-CG 4.27Å; V209-F354 HydrophobicContact CG2-CD1 4.12Å; V209-F354 HydrophobicContact CG2-CE1 3.56Å; V209-F354 HydrophobicContact CG2-CZ 3.99Å; P346-F354 VanDerWaalsContact CA-O 3.3Å; P346-F354 WeakPolarHBondContact CA-O 3.42Å; F347-F354 HydrophobicContact CD1-CB 4.2Å; F347-F354 HydrophobicContact CD2-CB 4.29Å; F347-F354 AromaticContact CD2-CD2 3.79Å; F347-F354 HydrophobicContact CD2-CD2 3.79Å; F347-F354 HydrophobicContact CD2-CG 4.42Å; F347-F354 HydrophobicContact CE1-CB 3.82Å; F347-F354 HydrophobicContact CE2-CB 3.91Å; F347-F354 AromaticContact CE2-CD2 3.39Å; F347-F354 HydrophobicContact CE2-CD2 3.39Å; F347-F354 HydrophobicContact CE2-CE2 4.1Å; F347-F354 AromaticContact CE2-CG 3.82Å; F347-F354 HydrophobicContact CE2-CG 3.82Å; F347-F354 HydrophobicContact CG-CB 4.42Å; F347-F354 HydrophobicContact CZ-CB 3.67Å; F347-F354 AromaticContact CZ-CD2 3.96Å; F347-F354 HydrophobicContact CZ-CD2 3.96Å; F347-F354 AromaticContact CZ-CG 3.89Å; F347-F354 HydrophobicContact CZ-CG 3.89Å; F347-F354 PolarHBondContact N-O 3.17Å; F347-F354 PolarHBondContact O-N 3.45Å; M349-F354 HydrophobicContact CB-CE2 3.8Å; M349-F354 HydrophobicContact CE-CE2 3.9Å; M349-F354 HydrophobicContact CE-CZ 3.91Å; V352-F354 HydrophobicContact CB-CE2 4.21Å; V352-F354 HydrophobicContact CB-CZ 4.18Å; V352-F354 HydrophobicContact CG1-CE1 3.97Å; V352-F354 HydrophobicContact CG1-CE2 4.07Å; V352-F354 HydrophobicContact CG1-CZ 3.71Å; F354-V357 HydrophobicContact CB-CG2 4.16Å
355D91Very high92.3Very high68 Ų6835 Ų3536%0.36421%0.212SC..  trans-100.5164.6168.862.9-21.2000109.7H210 P346 L353 V357H210-D355 PolarHBondContact CE1-O 3.45Å; H210-D355 PolarHBondContact NE2-O 2.97Å; P346-D355 HydrophobicContact CB-CB 4.29Å; L353-D355 HydrophobicContact CD2-CB 4.48Å; L353-D355 HydrophobicContact CG-CB 4.44Å; D355-V357 PolarHBondContact O-N 3.38Å; D355-V357 VanDerWaalsContact O-N 3.08Å
356N88Confident92Very high59 Ų5933.4 Ų33.432%0.31620%0.201SC..  trans5240.2173.8-50.7-47.7000113.9H210 L270 W358H210-N356 PolarHBondContact CE1-O 3.37Å; H210-N356 PolarHBondContact ND1-O 3.16Å; H210-N356 VanDerWaalsContact ND1-O 3.14Å; L270-N356 HydrophobicContact CB-CB 4.42Å; L270-N356 HydrophobicContact CD1-CB 4.33Å; L270-N356 PolarHBondContact O-OD1 3.27Å; N356-W358 PolarHBondContact O-N 3.05Å
357V94.2Very high91.8Very high2 Ų229 Ų291%0.01217%0.172CC..  trans-83113.7169.4176.30000107.4V209 F213 C344 F347 F354 D355V209-V357 HydrophobicContact CG1-CG2 4.34Å; F213-V357 HydrophobicContact CB-CG1 3.53Å; F213-V357 HydrophobicContact CD1-CG1 4.09Å; F213-V357 HydrophobicContact CG-CG1 3.86Å; C344-V357 HydrophobicContact CB-CB 4Å; C344-V357 HydrophobicContact CB-CG1 4.34Å; C344-V357 WeakPolarHBondContact CB-O 3.33Å; C344-V357 PolarHBondContact N-O 2.85Å; F347-V357 HydrophobicContact CE1-CG2 4.37Å; F354-V357 HydrophobicContact CB-CG2 4.16Å; D355-V357 PolarHBondContact O-N 3.38Å; D355-V357 VanDerWaalsContact O-N 3.08Å
358W95.3Very high91.3Very high62 Ų6232.3 Ų32.324%0.23519%0.193CC..EExtended strand (participates in β ladder)trans-143160.9-172.266.7-86.6000112.9L263 E264 L270 L341 F342 N356 L360L263-W358 HydrophobicContact CB-CH2 3.97Å; L263-W358 HydrophobicContact CB-CZ2 4.13Å; L263-W358 WeakPolarHBondContact O-CZ2 3.35Å; E264-W358 HydrophobicContact CG-CH2 4.38Å; L270-W358 HydrophobicContact CD1-CB 4.25Å; L270-W358 HydrophobicContact CD1-CD2 4.05Å; L270-W358 HydrophobicContact CD1-CG 3.53Å; L270-W358 HydrophobicContact CD2-CG 4.44Å; L341-W358 HydrophobicContact CD1-CB 4.04Å; L341-W358 HydrophobicContact CD1-CD2 4.28Å; L341-W358 HydrophobicContact CD1-CE3 3.86Å; L341-W358 HydrophobicContact CD1-CG 4.39Å; F342-W358 CarbonylContact O-C 3.59Å; F342-W358 WeakPolarHBondContact O-CA 3.12Å; F342-W358 VanDerWaalsContact O-CB 3.25Å; F342-W358 WeakPolarHBondContact O-CB 3.27Å; N356-W358 PolarHBondContact O-N 3.05Å; W358-L360 HydrophobicContact CE3-CD1 4.47Å; W358-L360 HydrophobicContact CE3-CG 4.01Å; W358-L360 HydrophobicContact CH2-CD1 4.17Å; W358-L360 HydrophobicContact CZ3-CB 4.26Å; W358-L360 HydrophobicContact CZ3-CD1 3.56Å; W358-L360 HydrophobicContact CZ3-CG 3.53Å
359A95.6Very high90.7Very high10 Ų1032 Ų328%0.08319%0.193CC..EExtended strand (participates in β ladder)trans-144.7143.5172.200000110.1F213 V215 F342F213-A359 HydrophobicContact CD1-CB 3.78Å; F213-A359 HydrophobicContact CE1-CB 4.02Å; V215-A359 HydrophobicContact CG2-CB 4.06Å; F342-A359 PolarHBondContact N-O 2.9Å; F342-A359 PolarHBondContact O-N 2.84Å
360L95.1Very high90.3Very high25 Ų2533 Ų3313%0.13121%0.206CC..EExtended strand (participates in β ladder)trans-96.3144.2169.9-74.3165.2000110.2V215 V255 A260 E264 A339 L340 L341 W358 F393V215-L360 WeakPolarHBondContact CG2-O 3.3Å; V255-L360 HydrophobicContact CG2-CD2 3.91Å; A260-L360 HydrophobicContact CB-CD1 4Å; A260-L360 HydrophobicContact CB-CD2 4.42Å; E264-L360 HydrophobicContact CG-CD1 4.2Å; A339-L360 HydrophobicContact CB-CB 4.46Å; A339-L360 HydrophobicContact CB-CD2 3.81Å; L340-L360 CarbonylContact O-C 3.5Å; L340-L360 WeakPolarHBondContact O-CA 3.37Å; L341-L360 HydrophobicContact CB-CD2 3.96Å; L341-L360 HydrophobicContact CD1-CD2 4.04Å; L341-L360 HydrophobicContact CD1-CG 4.43Å; W358-L360 HydrophobicContact CE3-CD1 4.47Å; W358-L360 HydrophobicContact CE3-CG 4.01Å; W358-L360 HydrophobicContact CH2-CD1 4.17Å; W358-L360 HydrophobicContact CZ3-CB 4.26Å; W358-L360 HydrophobicContact CZ3-CD1 3.56Å; W358-L360 HydrophobicContact CZ3-CG 3.53Å; L360-F393 HydrophobicContact CD1-CE2 4.5Å
361S96.1Very high90.2Very high3 Ų333.6 Ų33.62%0.02120%0.201CC..PPolyproline II helixtrans-63.9164.6160.172.50000110.2L340L340-S361 PolarHBondContact N-OG 3.28Å; L340-S361 PolarHBondContact O-N 3.35Å
362L96.2Very high90.2Very high22 Ų2233.2 Ų33.212%0.11518%0.184CC..SBendtrans-57.9157.9162.4-68.5172.1000110.3K133 Q136 Q218 V364K133-L362 HydrophobicContact CB-CD1 3.93Å; K133-L362 HydrophobicContact CB-CD2 4.09Å; K133-L362 HydrophobicContact CD-CD2 4.23Å; K133-L362 HydrophobicContact CG-CD1 4.09Å; K133-L362 HydrophobicContact CG-CD2 4Å; Q136-L362 HydrophobicContact CG-CD1 3.76Å; Q218-L362 HydrophobicContact CG-CD1 4.02Å; Q218-L362 HydrophobicContact CG-CG 4.36Å; L362-V364 WeakPolarHBondContact O-CG1 3.48Å; L362-V364 PolarHBondContact O-N 3.13Å
363P95.6Very high90Very high0 Ų036 Ų360%020%0.197CC..PPolyproline II helixtrans-54.1129176-27.435.3000110.8Y338 I380 H384 P392 F393Y338-P363 WeakPolarHBondContact O-CA 3.28Å; P363-I380 VanDerWaalsContact O-CD1 3.27Å; P363-I380 WeakPolarHBondContact O-CD1 3.48Å; P363-H384 PolarHBondContact O-NE2 3.4Å; P363-P392 HydrophobicContact CG-CB 3.81Å; P363-P392 HydrophobicContact CG-CG 4.48Å; P363-F393 HydrophobicContact CB-CD1 4.44Å; P363-F393 HydrophobicContact CB-CE1 4.04Å; P363-F393 HydrophobicContact CG-CD1 4.12Å; P363-F393 HydrophobicContact CG-CE1 3.89Å; P363-F393 HydrophobicContact CG-CZ 4.14Å
364V94.9Very high89.9Confident4 Ų435.3 Ų35.32%0.02419%0.188CC..BIsolated β-bridgetrans-117.6158.7176.3-60.30000110.6P219 V221 L223 L254 Y338 L362P219-V364 HydrophobicContact CG-CG1 3.8Å; V221-V364 WeakPolarHBondContact O-CA 3.48Å; L223-V364 HydrophobicContact CD1-CB 4.38Å; L223-V364 HydrophobicContact CD1-CG2 3.82Å; L223-V364 HydrophobicContact CG-CB 4.44Å; L223-V364 HydrophobicContact CG-CG2 4.38Å; L254-V364 HydrophobicContact CD1-CG2 4.32Å; Y338-V364 PolarHBondContact N-O 3.47Å; Y338-V364 WeakPolarHBondContact O-CG2 3.26Å; Y338-V364 PolarHBondContact O-N 2.95Å; L362-V364 WeakPolarHBondContact O-CG1 3.48Å; L362-V364 PolarHBondContact O-N 3.13Å
365K92.4Very high89.9Confident1 Ų136.8 Ų36.80%0.00420%0.196CC..EExtended strand (participates in β ladder)trans-106.9154.1170.7-62.5-56-166.3-169.50111.1V221 V222 L223 C334 E335 R336 N337 I380V221-K365 PolarHBondContact O-N 3.45Å; V222-K365 HydrophobicContact CG2-CB 4.38Å; L223-K365 PolarHBondContact N-O 3.29Å; C334-K365 WeakPolarHBondContact O-CD 3.03Å; C334-K365 WeakPolarHBondContact O-CE 3.3Å; E335-K365 PolarHBondContact O-NZ 3.02Å; R336-K365 WeakPolarHBondContact O-CD 3.47Å; R336-K365 PolarHBondContact O-NZ 2.98Å; N337-K365 VanDerWaalsContact CG-NZ 3.33Å; N337-K365 PolarHBondContact OD1-NZ 3.36Å; K365-I380 HydrophobicContact CG-CD1 3.86Å; K365-I380 HydrophobicContact CG-CG1 3.74Å
366L88.4Confident90.1Very high7 Ų733.6 Ų33.64%0.03718%0.179CC..EExtended strand (participates in β ladder)trans-116.6124.8177.6-177.562.7000109.2L223 L314 V316 Y338L223-L366 HydrophobicContact CB-CD1 4.38Å; L223-L366 CarbonylContact O-C 3.58Å; L223-L366 WeakPolarHBondContact O-CA 3.47Å; L314-L366 HydrophobicContact CD2-CD1 3.44Å; L314-L366 VanDerWaalsContact CD2-CD1 3.44Å; V316-L366 HydrophobicContact CB-CD2 4.28Å; V316-L366 HydrophobicContact CG1-CD2 3.93Å; V316-L366 HydrophobicContact CG2-CD1 3.64Å; V316-L366 HydrophobicContact CG2-CD2 3.31Å; V316-L366 HydrophobicContact CG2-CG 3.83Å; Y338-L366 HydrophobicContact CD2-CB 3.84Å; Y338-L366 HydrophobicContact CE2-CB 3.67Å; Y338-L366 HydrophobicContact CE2-CD2 4.2Å
367T88.3Confident90.4Very high0 Ų032.2 Ų32.20%017%0.171CC..EExtended strand (participates in β ladder)trans-124.1147.5178.759.80000111.7V222 L223 K224 Q225 Q372 E373 S376V222-T367 HydrophobicContact CG1-CG2 3.54Å; L223-T367 PolarHBondContact O-N 2.82Å; K224-T367 CarbonylContact C-O 3.56Å; K224-T367 WeakPolarHBondContact CA-O 3.47Å; Q225-T367 PolarHBondContact N-O 2.91Å; T367-Q372 HydrophobicContact CG2-CB 3.88Å; T367-E373 HydrophobicContact CG2-CG 4.36Å; T367-S376 WeakPolarHBondContact CG2-OG 3.28Å
368V82.2Confident90.5Very high79 Ų7932.1 Ų32.148%0.47917%0.17SC..SBendtrans-103.7-35.9175.6-148.80000110.2
369H80Confident90.5Very high119 Ų11929.7 Ų29.755%0.55116%0.162SC*.SBendtrans-129.5150.7-176.9-167.4-99000111.8S371 Q372H369-S371 PolarHBondContact ND1-N 3.21Å; H369-S371 PolarHBondContact ND1-OG 2.97Å; H369-S371 PolarHBondContact O-N 2.78Å; H369-Q372 WeakPolarHBondContact O-CB 3.38Å; H369-Q372 PolarHBondContact O-N 2.78Å; H369-Q372 VanDerWaalsContact O-N 3.08Å
370G78.1Confident90.5Very high30 Ų3029.4 Ų29.431%0.30916%0.159SC..G310 helixtrans-61.5-29.6-176.800000113.8Q372 E373G370-Q372 PolarHBondContact O-N 3.32Å; G370-E373 VanDerWaalsContact O-CB 3.3Å; G370-E373 WeakPolarHBondContact O-CB 3.35Å; G370-E373 WeakPolarHBondContact O-CG 3.41Å; G370-E373 PolarHBondContact O-N 3.03Å
371S79.2Confident90.6Very high72 Ų7228.3 Ų28.350%0.50315%0.153SC..G310 helixtrans-61.4-24.8176.355.90000113.7H369 E373H369-S371 PolarHBondContact ND1-N 3.21Å; H369-S371 PolarHBondContact ND1-OG 2.97Å; H369-S371 PolarHBondContact O-N 2.78Å; S371-E373 VanDerWaalsContact C-N 3.33Å
372Q85.8Confident90.7Very high49 Ų4928.2 Ų28.223%0.22915%0.152CC..G310 helixtrans-80-16.4178.4-63.7173.3-31.100112.7C334 T367 H369 G370 R374 S376C334-Q372 HydrophobicContact CB-CB 4.18Å; T367-Q372 HydrophobicContact CG2-CB 3.88Å; H369-Q372 WeakPolarHBondContact O-CB 3.38Å; H369-Q372 PolarHBondContact O-N 2.78Å; H369-Q372 VanDerWaalsContact O-N 3.08Å; G370-Q372 PolarHBondContact O-N 3.32Å; Q372-R374 VanDerWaalsContact C-N 3.25Å; Q372-R374 PolarHBondContact O-N 2.83Å; Q372-S376 WeakPolarHBondContact O-CB 3.17Å; Q372-S376 PolarHBondContact O-N 3.43Å; Q372-S376 VanDerWaalsContact O-N 3.13Å; Q372-S376 PolarHBondContact O-OG 2.92Å
373E86.9Confident90.6Very high62 Ų6227.2 Ų27.229%0.2915%0.147SC..Hα-helixtrans-65.1-31.7-177.6-65.7-179.7178.500111.5V222 T367 G370 S371 S376 H377V222-E373 HydrophobicContact CG1-CG 4.41Å; T367-E373 HydrophobicContact CG2-CG 4.36Å; G370-E373 VanDerWaalsContact O-CB 3.3Å; G370-E373 WeakPolarHBondContact O-CB 3.35Å; G370-E373 WeakPolarHBondContact O-CG 3.41Å; G370-E373 PolarHBondContact O-N 3.03Å; S371-E373 VanDerWaalsContact C-N 3.33Å; E373-S376 PolarHBondContact O-N 3.18Å; E373-H377 WeakPolarHBondContact O-CB 3.27Å; E373-H377 PolarHBondContact O-CD2 2.87Å; E373-H377 PolarHBondContact O-N 3.29Å
374R91.2Very high90.7Very high65 Ų6527.2 Ų27.225%0.24515%0.147CC..Hα-helixtrans-55.9-62.4177-74.7-163.8-70.3-146.810.6111.4Q372 S376 H377 A378 W467 F471 E472Q372-R374 VanDerWaalsContact C-N 3.25Å; Q372-R374 PolarHBondContact O-N 2.83Å; R374-S376 VanDerWaalsContact C-N 3.29Å; R374-S376 PolarHBondContact O-N 3.39Å; R374-H377 PolarHBondContact O-N 3.06Å; R374-A378 PolarHBondContact O-N 3.26Å; R374-W467 PolarHBondContact O-NE1 3.01Å; R374-F471 HydrophobicContact CG-CD1 3.58Å; R374-F471 HydrophobicContact CG-CE1 3.8Å; R374-F471 HydrophobicContact CG-CG 4.15Å; R374-E472 WeakPolarHBondContact CD-OE1 3.49Å; R374-E472 IonicContact CZ-OE1 3.79Å; R374-E472 IonicContact NE-OE1 3.16Å; R374-E472 IonicContact NH1-OE1 3.97Å; R374-E472 PolarHBondContact NH1-OE1 3.36Å
375L93.5Very high90.7Very high34 Ų3427.9 Ų27.918%0.17815%0.153CC..Hα-helixtrans-62.9-39.3-179.2-175.155.6000111.3C334 E335 H377 A378 M379 C454C334-L375 HydrophobicContact CB-CB 4.5Å; E335-L375 HydrophobicContact CG-CD2 3.86Å; E335-L375 HydrophobicContact CG-CG 4.36Å; L375-H377 VanDerWaalsContact C-N 3.34Å; L375-H377 PolarHBondContact O-N 3.35Å; L375-A378 HydrophobicContact CD1-CB 4.4Å; L375-A378 VanDerWaalsContact O-CB 3.24Å; L375-A378 WeakPolarHBondContact O-CB 3.41Å; L375-A378 PolarHBondContact O-N 3.16Å; L375-M379 HydrophobicContact CD1-CG 4.35Å; L375-M379 HydrophobicContact CG-CG 4.41Å; L375-M379 WeakPolarHBondContact O-CG 3.28Å; L375-M379 PolarHBondContact O-N 2.89Å; L375-C454 HydrophobicContact CD1-CB 3.88Å
376S94.5Very high90.9Very high0 Ų029.3 Ų29.30%016%0.159CC..Hα-helixtrans-57.3-45.4177.9-57.80000112.2C334 T367 Q372 E373 R374 A378 M379 I380C334-S376 VanDerWaalsContact CB-OG 3.27Å; C334-S376 WeakPolarHBondContact CB-OG 3.25Å; T367-S376 WeakPolarHBondContact CG2-OG 3.28Å; Q372-S376 WeakPolarHBondContact O-CB 3.17Å; Q372-S376 PolarHBondContact O-N 3.43Å; Q372-S376 VanDerWaalsContact O-N 3.13Å; Q372-S376 PolarHBondContact O-OG 2.92Å; E373-S376 PolarHBondContact O-N 3.18Å; R374-S376 VanDerWaalsContact C-N 3.29Å; R374-S376 PolarHBondContact O-N 3.39Å; S376-A378 VanDerWaalsContact C-N 3.32Å; S376-A378 PolarHBondContact O-N 2.88Å; S376-M379 PolarHBondContact O-N 3.06Å; S376-I380 WeakPolarHBondContact O-CG1 3.24Å; S376-I380 PolarHBondContact O-N 3.23Å
377H95.2Very high91.2Very high30 Ų3029.1 Ų29.114%0.13916%0.159CC..Hα-helixtrans-68-29.7176.8-81.8-65.2000113.3E373 R374 L375 L381 W467 F471E373-H377 WeakPolarHBondContact O-CB 3.27Å; E373-H377 PolarHBondContact O-CD2 2.87Å; E373-H377 PolarHBondContact O-N 3.29Å; R374-H377 PolarHBondContact O-N 3.06Å; L375-H377 VanDerWaalsContact C-N 3.34Å; L375-H377 PolarHBondContact O-N 3.35Å; H377-L381 WeakPolarHBondContact O-CB 3.35Å; H377-L381 PolarHBondContact O-N 3.3Å; H377-W467 HydrophobicContact CB-CZ2 3.92Å; H377-F471 HydrophobicContact CB-CE2 4.13Å; H377-F471 AromaticContact CD2-CE2 3.88Å
378A96Very high91.3Very high0 Ų032.3 Ų32.30%018%0.179CC..Hα-helixtrans-62.5-51172.700000110.2R374 L375 S376 I380 L381 W382 F453 C454 W467R374-A378 PolarHBondContact O-N 3.26Å; L375-A378 HydrophobicContact CD1-CB 4.4Å; L375-A378 VanDerWaalsContact O-CB 3.24Å; L375-A378 WeakPolarHBondContact O-CB 3.41Å; L375-A378 PolarHBondContact O-N 3.16Å; S376-A378 VanDerWaalsContact C-N 3.32Å; S376-A378 PolarHBondContact O-N 2.88Å; A378-I380 VanDerWaalsContact C-N 3.32Å; A378-I380 PolarHBondContact O-N 3.28Å; A378-L381 PolarHBondContact O-N 3.14Å; A378-W382 WeakPolarHBondContact O-CB 3.47Å; A378-W382 PolarHBondContact O-N 2.69Å; A378-F453 HydrophobicContact CB-CE1 3.93Å; A378-C454 HydrophobicContact CB-CB 3.57Å; A378-W467 VanDerWaalsContact CA-CE2 3.49Å; A378-W467 HydrophobicContact CB-CB 4.19Å; A378-W467 HydrophobicContact CB-CD2 3.73Å; A378-W467 HydrophobicContact CB-CG 3.43Å; A378-W467 VanDerWaalsContact CB-CG 3.43Å; A378-W467 HydrophobicContact CB-CZ2 4.45Å; A378-W467 VanDerWaalsContact CB-NE1 3.31Å
379M95.2Very high91.5Very high12 Ų1229.8 Ų29.86%0.05917%0.167CC..Hα-helixtrans-64-37.9-178.8-62.9-63.1-74.800111.7E335 L375 S376 N383 L450E335-M379 HydrophobicContact CB-CE 4.21Å; E335-M379 HydrophobicContact CG-CE 4.25Å; E335-M379 HydrophobicContact CG-CG 4.49Å; E335-M379 HydrophobicContact CG-SD 4.46Å; L375-M379 HydrophobicContact CD1-CG 4.35Å; L375-M379 HydrophobicContact CG-CG 4.41Å; L375-M379 WeakPolarHBondContact O-CG 3.28Å; L375-M379 PolarHBondContact O-N 2.89Å; S376-M379 PolarHBondContact O-N 3.06Å; M379-N383 VanDerWaalsContact O-CB 3.26Å; M379-N383 WeakPolarHBondContact O-CB 3.47Å; M379-N383 PolarHBondContact O-N 3.35Å; M379-L450 HydrophobicContact CE-CD2 4.01Å; M379-L450 HydrophobicContact SD-CD1 3.95Å; M379-L450 HydrophobicContact SD-CD2 4.06Å; M379-L450 HydrophobicContact SD-CG 4.38Å
380I95.7Very high91.7Very high4 Ų430 Ų302%0.02117%0.166CC..Hα-helixtrans-64.3-48172.9-72.5-63.1000111.3V221 P363 K365 S376 A378 W382 N383 H384V221-I380 HydrophobicContact CB-CD1 4.16Å; V221-I380 HydrophobicContact CB-CG1 4.11Å; V221-I380 HydrophobicContact CB-CG2 3.76Å; V221-I380 HydrophobicContact CG1-CG2 4.07Å; V221-I380 HydrophobicContact CG2-CG1 4.45Å; V221-I380 HydrophobicContact CG2-CG2 3.92Å; P363-I380 VanDerWaalsContact O-CD1 3.27Å; P363-I380 WeakPolarHBondContact O-CD1 3.48Å; K365-I380 HydrophobicContact CG-CD1 3.86Å; K365-I380 HydrophobicContact CG-CG1 3.74Å; S376-I380 WeakPolarHBondContact O-CG1 3.24Å; S376-I380 PolarHBondContact O-N 3.23Å; A378-I380 VanDerWaalsContact C-N 3.32Å; A378-I380 PolarHBondContact O-N 3.28Å; I380-W382 VanDerWaalsContact C-N 3.28Å; I380-W382 PolarHBondContact O-N 3.48Å; I380-N383 PolarHBondContact O-N 3.46Å; I380-H384 WeakPolarHBondContact O-CB 3.32Å; I380-H384 PolarHBondContact O-N 3.43Å
381L97.2Very high92.2Very high2 Ų231.3 Ų31.31%0.0117%0.168CC..Hα-helixtrans-56.9-48.4178.8177.964000110I137 H377 A378 A385 A407 L408 K411 F453 W467I137-L381 HydrophobicContact CB-CD1 3.68Å; I137-L381 HydrophobicContact CD1-CD1 4.12Å; I137-L381 HydrophobicContact CG2-CD1 3.71Å; H377-L381 WeakPolarHBondContact O-CB 3.35Å; H377-L381 PolarHBondContact O-N 3.3Å; A378-L381 PolarHBondContact O-N 3.14Å; L381-A385 WeakPolarHBondContact O-CB 3.43Å; L381-A385 PolarHBondContact O-N 3.01Å; L381-A407 HydrophobicContact CD1-CB 4.16Å; L381-L408 HydrophobicContact CD2-CD2 4.1Å; L381-K411 HydrophobicContact CD1-CB 3.91Å; L381-K411 HydrophobicContact CD1-CG 4.24Å; L381-K411 HydrophobicContact CD2-CB 4.18Å; L381-K411 HydrophobicContact CD2-CG 4.15Å; L381-F453 HydrophobicContact CD2-CZ 4Å; L381-W467 HydrophobicContact CB-CH2 4.38Å; L381-W467 HydrophobicContact CD2-CE3 4.45Å; L381-W467 HydrophobicContact CD2-CH2 3.74Å; L381-W467 HydrophobicContact CD2-CZ3 3.48Å; L381-W467 VanDerWaalsContact CD2-CZ3 3.48Å
382W97.2Very high92.7Very high1 Ų128.3 Ų28.30%0.00415%0.147CC..Hα-helixtrans-62.1-49-179.5-164.8-84.1000112.2A378 I380 F386 P396 V399 L404 V448 L450 F453A378-W382 WeakPolarHBondContact O-CB 3.47Å; A378-W382 PolarHBondContact O-N 2.69Å; I380-W382 VanDerWaalsContact C-N 3.28Å; I380-W382 PolarHBondContact O-N 3.48Å; W382-F386 HydrophobicContact CB-CD2 4.41Å; W382-F386 AromaticContact CD2-CD2 3.84Å; W382-F386 HydrophobicContact CD2-CD2 3.84Å; W382-F386 AromaticContact CD2-CE2 3.84Å; W382-F386 HydrophobicContact CD2-CE2 3.84Å; W382-F386 HydrophobicContact CE3-CD2 4.31Å; W382-F386 AromaticContact CE3-CE2 3.83Å; W382-F386 HydrophobicContact CE3-CE2 3.83Å; W382-F386 AromaticContact CG-CD2 3.86Å; W382-F386 HydrophobicContact CG-CD2 3.86Å; W382-F386 HydrophobicContact CG-CE2 4.14Å; W382-F386 HydrophobicContact CZ3-CE2 4.39Å; W382-F386 WeakPolarHBondContact O-CB 3.27Å; W382-F386 WeakPolarHBondContact O-CD2 3.35Å; W382-F386 PolarHBondContact O-N 2.93Å; W382-F386 VanDerWaalsContact O-N 3.13Å; W382-P396 PolarHBondContact NE1-O 2.83Å; W382-V399 HydrophobicContact CH2-CG1 4.47Å; W382-V399 HydrophobicContact CH2-CG2 3.57Å; W382-V399 HydrophobicContact CZ2-CB 4.43Å; W382-V399 HydrophobicContact CZ2-CG1 3.91Å; W382-V399 HydrophobicContact CZ2-CG2 3.89Å; W382-V399 HydrophobicContact CZ3-CG2 4Å; W382-L404 HydrophobicContact CE3-CD1 4.39Å; W382-L404 HydrophobicContact CZ3-CD1 4.32Å; W382-L404 HydrophobicContact CZ3-CD2 4.13Å; W382-V448 HydrophobicContact CH2-CG1 4.3Å; W382-V448 WeakPolarHBondContact CH2-O 3.47Å; W382-V448 HydrophobicContact CZ3-CG1 4.41Å; W382-L450 HydrophobicContact CB-CD1 4.06Å; W382-L450 HydrophobicContact CD2-CD1 3.63Å; W382-L450 HydrophobicContact CE3-CD1 4.09Å; W382-L450 HydrophobicContact CG-CD1 3.62Å; W382-L450 HydrophobicContact CZ2-CB 4.01Å; W382-F453 HydrophobicContact CD2-CD1 4.47Å; W382-F453 HydrophobicContact CE3-CB 4.08Å; W382-F453 AromaticContact CE3-CD1 3.44Å; W382-F453 HydrophobicContact CE3-CD1 3.44Å; W382-F453 VanDerWaalsContact CE3-CD1 3.44Å; W382-F453 AromaticContact CE3-CE1 3.99Å; W382-F453 HydrophobicContact CE3-CE1 3.99Å; W382-F453 AromaticContact CE3-CG 3.81Å; W382-F453 HydrophobicContact CE3-CG 3.81Å; W382-F453 HydrophobicContact CH2-CB 4.32Å; W382-F453 HydrophobicContact CZ3-CB 3.53Å; W382-F453 AromaticContact CZ3-CD1 3.81Å; W382-F453 HydrophobicContact CZ3-CD1 3.81Å; W382-F453 HydrophobicContact CZ3-CD2 4.39Å; W382-F453 AromaticContact CZ3-CG 3.66Å; W382-F453 HydrophobicContact CZ3-CG 3.66Å
383N95.6Very high92.9Very high0 Ų026.3 Ų26.30%014%0.137CC..Hα-helixtrans-59.8-58.7177.1-177-48.6000110.6M379 I380 A385 F386 S387 P392 I395M379-N383 VanDerWaalsContact O-CB 3.26Å; M379-N383 WeakPolarHBondContact O-CB 3.47Å; M379-N383 PolarHBondContact O-N 3.35Å; I380-N383 PolarHBondContact O-N 3.46Å; N383-A385 VanDerWaalsContact C-N 3.28Å; N383-A385 PolarHBondContact O-N 2.64Å; N383-F386 PolarHBondContact O-N 3.39Å; N383-S387 VanDerWaalsContact O-CB 3.28Å; N383-S387 WeakPolarHBondContact O-CB 3.37Å; N383-S387 PolarHBondContact O-N 3.2Å; N383-S387 PolarHBondContact O-OG 2.75Å; N383-S387 PolarHBondContact OD1-OG 3.13Å; N383-P392 PolarHBondContact ND2-O 3.25Å; N383-P392 PolarHBondContact OD1-O 3.12Å; N383-I395 HydrophobicContact CB-CD1 4.09Å; N383-I395 HydrophobicContact CB-CG1 4.3Å; N383-I395 VanDerWaalsContact ND2-CD1 3.34Å; N383-I395 WeakPolarHBondContact ND2-CD1 3.46Å; N383-I395 WeakPolarHBondContact ND2-CG1 3.45Å
384H96.4Very high93.1Very high0 Ų028 Ų280%015%0.149CC..Hα-helixtrans-67.2-30-171-69.8-172.5000112.4K133 Q136 I137 P363 I380K133-H384 WeakPolarHBondContact CD-O 3.38Å; K133-H384 WeakPolarHBondContact CE-O 3.14Å; K133-H384 HydrophobicContact CG-CB 3.94Å; K133-H384 WeakPolarHBondContact CG-O 3.21Å; K133-H384 PolarHBondContact NZ-O 3.35Å; Q136-H384 VanDerWaalsContact CB-ND1 3.3Å; Q136-H384 WeakPolarHBondContact CB-ND1 3.21Å; I137-H384 HydrophobicContact CG2-CB 3.58Å; P363-H384 PolarHBondContact O-NE2 3.4Å; I380-H384 WeakPolarHBondContact O-CB 3.32Å; I380-H384 PolarHBondContact O-N 3.43Å
385A96.6Very high93.1Very high18 Ų1826.7 Ų26.715%0.14915%0.146CC..Hα-helixtrans-72.3-40.817500000112.8I137 L381 N383 A407I137-A385 HydrophobicContact CD1-CB 3.91Å; L381-A385 WeakPolarHBondContact O-CB 3.43Å; L381-A385 PolarHBondContact O-N 3.01Å; N383-A385 VanDerWaalsContact C-N 3.28Å; N383-A385 PolarHBondContact O-N 2.64Å; A385-A407 HydrophobicContact CB-CB 3.84Å
386F96.6Very high93.2Very high31 Ų3127 Ų2714%0.13615%0.15CC..Hα-helixtrans-119.2-17.1-162.1-45.6-56.4000115.8W382 N383 P396 V399 Q403 L404 A407W382-F386 HydrophobicContact CB-CD2 4.41Å; W382-F386 AromaticContact CD2-CD2 3.84Å; W382-F386 HydrophobicContact CD2-CD2 3.84Å; W382-F386 AromaticContact CD2-CE2 3.84Å; W382-F386 HydrophobicContact CD2-CE2 3.84Å; W382-F386 HydrophobicContact CE3-CD2 4.31Å; W382-F386 AromaticContact CE3-CE2 3.83Å; W382-F386 HydrophobicContact CE3-CE2 3.83Å; W382-F386 AromaticContact CG-CD2 3.86Å; W382-F386 HydrophobicContact CG-CD2 3.86Å; W382-F386 HydrophobicContact CG-CE2 4.14Å; W382-F386 HydrophobicContact CZ3-CE2 4.39Å; W382-F386 WeakPolarHBondContact O-CB 3.27Å; W382-F386 WeakPolarHBondContact O-CD2 3.35Å; W382-F386 PolarHBondContact O-N 2.93Å; W382-F386 VanDerWaalsContact O-N 3.13Å; N383-F386 PolarHBondContact O-N 3.39Å; F386-P396 HydrophobicContact CB-CG 3.55Å; F386-V399 HydrophobicContact CB-CG1 3.94Å; F386-V399 HydrophobicContact CD1-CB 4.46Å; F386-V399 HydrophobicContact CD1-CG1 4.09Å; F386-V399 HydrophobicContact CD2-CB 4.45Å; F386-V399 HydrophobicContact CD2-CG1 3.68Å; F386-V399 HydrophobicContact CD2-CG2 4.26Å; F386-V399 HydrophobicContact CE1-CG2 4.39Å; F386-V399 HydrophobicContact CE2-CG1 4.23Å; F386-V399 HydrophobicContact CE2-CG2 3.94Å; F386-V399 HydrophobicContact CG-CB 4.44Å; F386-V399 HydrophobicContact CG-CG1 3.63Å; F386-V399 HydrophobicContact CZ-CG2 4.04Å; F386-Q403 HydrophobicContact CD1-CB 4.48Å; F386-Q403 HydrophobicContact CE1-CB 3.98Å; F386-L404 HydrophobicContact CE2-CD1 4.03Å; F386-L404 HydrophobicContact CZ-CB 4.11Å; F386-L404 HydrophobicContact CZ-CD1 3.78Å; F386-A407 HydrophobicContact CE1-CB 4.39Å; F386-A407 HydrophobicContact CZ-CB 4.08Å
387S94.2Very high93.2Very high4 Ų433.6 Ų33.63%0.02819%0.185CC..SBendtrans-68143.7175.166.50000111.1K133 N383 A389 P392 N394K133-S387 PolarHBondContact NZ-O 3.42Å; N383-S387 VanDerWaalsContact O-CB 3.28Å; N383-S387 WeakPolarHBondContact O-CB 3.37Å; N383-S387 PolarHBondContact O-N 3.2Å; N383-S387 PolarHBondContact O-OG 2.75Å; N383-S387 PolarHBondContact OD1-OG 3.13Å; S387-A389 PolarHBondContact O-N 2.69Å; S387-P392 WeakPolarHBondContact CB-O 3.41Å; S387-P392 PolarHBondContact OG-O 3.36Å; S387-N394 WeakPolarHBondContact CA-O 3.42Å; S387-N394 VanDerWaalsContact CB-O 3.28Å; S387-N394 WeakPolarHBondContact CB-O 3.1Å
388P89.8Confident93.3Very high66 Ų6633.9 Ų33.943%0.42919%0.193SC..  trans-61.6137.8170.4-19.931.8000110.4K390 T391 N394P388-K390 PolarHBondContact O-N 3.14Å; P388-K390 VanDerWaalsContact O-N 3.16Å; P388-T391 CarbonylContact O-C 3.56Å; P388-T391 PolarHBondContact O-N 3.31Å; P388-N394 WeakPolarHBondContact CD-O 3.49Å
389A86Confident93.4Very high27 Ų2734.1 Ų34.122%0.22319%0.194CC..THydrogen-bonded Turntrans-65.6-19.5-178.800000113.7R130 S387R130-A389 HydrophobicContact CB-CB 4.25Å; R130-A389 HydrophobicContact CG-CB 4.48Å; S387-A389 PolarHBondContact O-N 2.69Å
390K85Confident93.5Very high124 Ų12437 Ų3754%0.53921%0.208SC..THydrogen-bonded Turntrans-79-24.3173-61.5-161.9-179.1-165.60113.2D122 H126 P388D122-K390 IonicContact OD1-NZ 3.95Å; D122-K390 PolarHBondContact OD1-NZ 2.98Å; D122-K390 VanDerWaalsContact OD1-NZ 3.14Å; H126-K390 WeakPolarHBondContact CE1-CG 3.28Å; P388-K390 PolarHBondContact O-N 3.14Å; P388-K390 VanDerWaalsContact O-N 3.16Å
391T88.8Confident93.6Very high56 Ų5637.5 Ų37.534%0.34421%0.209SC..  trans-136.970.2-176.757.70000109.2P388 F393 N394P388-T391 CarbonylContact O-C 3.56Å; P388-T391 PolarHBondContact O-N 3.31Å; T391-F393 PolarHBondContact O-N 2.67Å; T391-F393 VanDerWaalsContact O-N 3.13Å; T391-N394 WeakPolarHBondContact O-CB 3.4Å; T391-N394 PolarHBondContact O-N 2.96Å
392P88.9Confident93.6Very high10 Ų1040.8 Ų40.87%0.06523%0.232CC..THydrogen-bonded Turntrans-66.5-15.9-169.928-36.3000113.9E264 P363 N383 S387E264-P392 VanDerWaalsContact OE1-CD 3.3Å; E264-P392 WeakPolarHBondContact OE1-CD 3.46Å; E264-P392 WeakPolarHBondContact OE1-CG 3.33Å; P363-P392 HydrophobicContact CG-CB 3.81Å; P363-P392 HydrophobicContact CG-CG 4.48Å; N383-P392 PolarHBondContact ND2-O 3.25Å; N383-P392 PolarHBondContact OD1-O 3.12Å; S387-P392 WeakPolarHBondContact CB-O 3.41Å; S387-P392 PolarHBondContact OG-O 3.36Å
393F90.3Very high93.5Very high6 Ų645.4 Ų45.43%0.02625%0.254CS..THydrogen-bonded Turntrans-90.50.6174-58.2-82.1000113.8E257 A260 R261 N337 A339 L360 P363 T391E257-F393 HydrophobicContact CB-CD1 4.37Å; E257-F393 HydrophobicContact CG-CB 4.23Å; E257-F393 HydrophobicContact CG-CD1 3.76Å; E257-F393 HydrophobicContact CG-CG 4.26Å; A260-F393 HydrophobicContact CB-CD2 4.16Å; A260-F393 HydrophobicContact CB-CE1 4.08Å; A260-F393 HydrophobicContact CB-CE2 3.45Å; A260-F393 VanDerWaalsContact CB-CE2 3.45Å; A260-F393 HydrophobicContact CB-CZ 3.39Å; R261-F393 PolarHBondContact NH2-O 2.96Å; N337-F393 HydrophobicContact CB-CD1 4.04Å; N337-F393 HydrophobicContact CB-CE1 4.11Å; A339-F393 HydrophobicContact CB-CZ 3.79Å; L360-F393 HydrophobicContact CD1-CE2 4.5Å; P363-F393 HydrophobicContact CB-CD1 4.44Å; P363-F393 HydrophobicContact CB-CE1 4.04Å; P363-F393 HydrophobicContact CG-CD1 4.12Å; P363-F393 HydrophobicContact CG-CE1 3.89Å; P363-F393 HydrophobicContact CG-CZ 4.14Å; T391-F393 PolarHBondContact O-N 2.67Å; T391-F393 VanDerWaalsContact O-N 3.13Å
394N91.1Very high93.7Very high99 Ų9945.4 Ų45.453%0.52925%0.254SS..  trans-92.698.3171.7-170.410.7000109S387 P388 T391S387-N394 WeakPolarHBondContact CA-O 3.42Å; S387-N394 VanDerWaalsContact CB-O 3.28Å; S387-N394 WeakPolarHBondContact CB-O 3.1Å; P388-N394 WeakPolarHBondContact CD-O 3.49Å; T391-N394 WeakPolarHBondContact O-CB 3.4Å; T391-N394 PolarHBondContact O-N 2.96Å
395I91.9Very high93.7Very high37 Ų3745.7 Ų45.719%0.1926%0.257CS..  trans-102.8128.8-173.8-53.6175.7000108.5N383N383-I395 HydrophobicContact CB-CD1 4.09Å; N383-I395 HydrophobicContact CB-CG1 4.3Å; N383-I395 VanDerWaalsContact ND2-CD1 3.34Å; N383-I395 WeakPolarHBondContact ND2-CD1 3.46Å; N383-I395 WeakPolarHBondContact ND2-CG1 3.45Å
396P95.1Very high93.8Very high41 Ų4148.1 Ų48.127%0.26627%0.265SS..  trans-72.3142177.327.9-32.6000111.9W382 F386 A398 V399W382-P396 PolarHBondContact NE1-O 2.83Å; F386-P396 HydrophobicContact CB-CG 3.55Å; P396-A398 VanDerWaalsContact C-N 3.33Å; P396-V399 HydrophobicContact CB-CG1 4.26Å; P396-V399 HydrophobicContact CG-CG1 3.76Å
397D95.1Very high93.8Very high137 Ų13746.9 Ų46.973%0.73326%0.26SS*.SBendtrans-72.1-28.4177.3-64.6-35.8000112.9T449 L450D397-T449 CarbonylContact O-C 3.5Å; D397-T449 VanDerWaalsContact O-CA 3.28Å; D397-T449 WeakPolarHBondContact O-CA 3.28Å; D397-L450 PolarHBondContact O-N 3.01Å
398A97.2Very high94Very high36 Ų3646.7 Ų46.730%0.29826%0.259SS..EExtended strand (participates in β ladder)trans-144147.3179.100000111.6P396 M447 V448 T449P396-A398 VanDerWaalsContact C-N 3.33Å; A398-M447 HydrophobicContact CB-CE 3.9Å; A398-V448 CarbonylContact C-O 3.18Å; A398-V448 WeakPolarHBondContact CA-O 3.35Å; A398-T449 HydrophobicContact CB-CG2 4.19Å
399V97.6Very high94.4Very high6 Ų647.4 Ų47.44%0.03625%0.253CS..EExtended strand (participates in β ladder)trans-135.4157.9179.2-57.50000110.7W382 F386 P396 L404 V448W382-V399 HydrophobicContact CH2-CG1 4.47Å; W382-V399 HydrophobicContact CH2-CG2 3.57Å; W382-V399 HydrophobicContact CZ2-CB 4.43Å; W382-V399 HydrophobicContact CZ2-CG1 3.91Å; W382-V399 HydrophobicContact CZ2-CG2 3.89Å; W382-V399 HydrophobicContact CZ3-CG2 4Å; F386-V399 HydrophobicContact CB-CG1 3.94Å; F386-V399 HydrophobicContact CD1-CB 4.46Å; F386-V399 HydrophobicContact CD1-CG1 4.09Å; F386-V399 HydrophobicContact CD2-CB 4.45Å; F386-V399 HydrophobicContact CD2-CG1 3.68Å; F386-V399 HydrophobicContact CD2-CG2 4.26Å; F386-V399 HydrophobicContact CE1-CG2 4.39Å; F386-V399 HydrophobicContact CE2-CG1 4.23Å; F386-V399 HydrophobicContact CE2-CG2 3.94Å; F386-V399 HydrophobicContact CG-CB 4.44Å; F386-V399 HydrophobicContact CG-CG1 3.63Å; F386-V399 HydrophobicContact CZ-CG2 4.04Å; P396-V399 HydrophobicContact CB-CG1 4.26Å; P396-V399 HydrophobicContact CG-CG1 3.76Å; V399-L404 HydrophobicContact CG2-CB 4.12Å; V399-V448 PolarHBondContact N-O 2.79Å; V399-V448 PolarHBondContact O-N 3.3Å
400E97.4Very high94.9Very high72 Ų7249 Ų4934%0.33625%0.254SS..EExtended strand (participates in β ladder)trans-67.5139.3173.1-62.3-175.8-174.300110.8S402 Q403 L404 P445 A446 M447E400-S402 WeakPolarHBondContact CB-OG 3.32Å; E400-S402 PolarHBondContact O-N 3Å; E400-S402 PolarHBondContact OE2-OG 3.5Å; E400-S402 VanDerWaalsContact OE2-OG 3.13Å; E400-Q403 HydrophobicContact CB-CG 4.28Å; E400-Q403 PolarHBondContact O-N 2.89Å; E400-Q403 VanDerWaalsContact O-N 3.08Å; E400-L404 PolarHBondContact O-N 3.49Å; E400-L404 VanDerWaalsContact O-N 3.14Å; E400-P445 HydrophobicContact CG-CB 4.04Å; E400-P445 HydrophobicContact CG-CG 4.47Å; E400-A446 WeakPolarHBondContact CA-O 3.3Å; E400-M447 HydrophobicContact CG-SD 3.87Å
401W97.4Very high95.4Very high14 Ų1443.6 Ų43.65%0.05323%0.23CC..Hα-helixtrans-54.9-36.6175.2170.9-109.2000112.3Q403 L404 A405 L408 L427 L430 A431 V434 L439 A446 V448W401-Q403 VanDerWaalsContact C-N 3.28Å; W401-Q403 PolarHBondContact O-N 3.07Å; W401-L404 HydrophobicContact CE3-CB 4.45Å; W401-L404 HydrophobicContact CE3-CD2 4.14Å; W401-L404 HydrophobicContact CE3-CG 4.46Å; W401-L404 HydrophobicContact CZ3-CD2 4.1Å; W401-L404 HydrophobicContact CZ3-CG 4.35Å; W401-L404 PolarHBondContact O-N 3.33Å; W401-A405 HydrophobicContact CD2-CB 4.39Å; W401-A405 HydrophobicContact CZ2-CB 3.9Å; W401-A405 WeakPolarHBondContact O-CB 3.29Å; W401-A405 PolarHBondContact O-N 3.27Å; W401-L408 HydrophobicContact CH2-CD1 3.93Å; W401-L408 HydrophobicContact CZ3-CD1 4.1Å; W401-L427 HydrophobicContact CZ2-CB 4.43Å; W401-L427 WeakPolarHBondContact CZ2-O 3.34Å; W401-L430 HydrophobicContact CH2-CB 3.76Å; W401-L430 HydrophobicContact CZ2-CB 4.2Å; W401-A431 HydrophobicContact CD2-CB 3.88Å; W401-A431 HydrophobicContact CG-CB 4.33Å; W401-A431 HydrophobicContact CH2-CB 4.24Å; W401-A431 HydrophobicContact CZ2-CB 3.57Å; W401-V434 HydrophobicContact CE3-CG1 3.76Å; W401-V434 HydrophobicContact CH2-CG1 4.49Å; W401-V434 HydrophobicContact CZ3-CG1 3.58Å; W401-L439 HydrophobicContact CG-CD1 4.41Å; W401-A446 HydrophobicContact CB-CB 4.23Å; W401-A446 PolarHBondContact N-O 3.17Å; W401-V448 HydrophobicContact CB-CG2 4.38Å; W401-V448 HydrophobicContact CE3-CG2 4.08Å
402S96.4Very high95.8Very high71 Ų7141 Ų4150%0.49721%0.214SC..Hα-helixtrans-54.3-44.4177.257.90000112.1E400 E406E400-S402 WeakPolarHBondContact CB-OG 3.32Å; E400-S402 PolarHBondContact O-N 3Å; E400-S402 PolarHBondContact OE2-OG 3.5Å; E400-S402 VanDerWaalsContact OE2-OG 3.13Å; S402-E406 PolarHBondContact O-N 3.11Å
403Q97.1Very high96.2Very high98 Ų9846.2 Ų46.246%0.45824%0.236SC..Hα-helixtrans-73.1-42179.7-60.4177.2100111.1F386 E400 W401 E406 A407F386-Q403 HydrophobicContact CD1-CB 4.48Å; F386-Q403 HydrophobicContact CE1-CB 3.98Å; E400-Q403 HydrophobicContact CB-CG 4.28Å; E400-Q403 PolarHBondContact O-N 2.89Å; E400-Q403 VanDerWaalsContact O-N 3.08Å; W401-Q403 VanDerWaalsContact C-N 3.28Å; W401-Q403 PolarHBondContact O-N 3.07Å; Q403-E406 PolarHBondContact O-N 2.84Å; Q403-A407 PolarHBondContact O-N 3.45Å; Q403-A407 VanDerWaalsContact O-N 3.09Å
404L98.1Very high96.4Very high0 Ų052.8 Ų52.80%026%0.261CS..Hα-helixtrans-65.6-41.2177.6-179.160.5000112.8W382 F386 V399 E400 W401 E406 A407 L408 V448 F453W382-L404 HydrophobicContact CE3-CD1 4.39Å; W382-L404 HydrophobicContact CZ3-CD1 4.32Å; W382-L404 HydrophobicContact CZ3-CD2 4.13Å; F386-L404 HydrophobicContact CE2-CD1 4.03Å; F386-L404 HydrophobicContact CZ-CB 4.11Å; F386-L404 HydrophobicContact CZ-CD1 3.78Å; V399-L404 HydrophobicContact CG2-CB 4.12Å; E400-L404 PolarHBondContact O-N 3.49Å; E400-L404 VanDerWaalsContact O-N 3.14Å; W401-L404 HydrophobicContact CE3-CB 4.45Å; W401-L404 HydrophobicContact CE3-CD2 4.14Å; W401-L404 HydrophobicContact CE3-CG 4.46Å; W401-L404 HydrophobicContact CZ3-CD2 4.1Å; W401-L404 HydrophobicContact CZ3-CG 4.35Å; W401-L404 PolarHBondContact O-N 3.33Å; L404-E406 VanDerWaalsContact C-N 3.27Å; L404-E406 PolarHBondContact O-N 2.82Å; L404-A407 PolarHBondContact O-N 3.12Å; L404-L408 HydrophobicContact CD1-CG 4.3Å; L404-L408 HydrophobicContact CG-CD1 4.16Å; L404-L408 HydrophobicContact CG-CG 4.37Å; L404-L408 WeakPolarHBondContact O-CB 3.45Å; L404-L408 VanDerWaalsContact O-CG 3.31Å; L404-L408 WeakPolarHBondContact O-CG 3.44Å; L404-L408 PolarHBondContact O-N 3.46Å; L404-V448 HydrophobicContact CD2-CB 4.12Å; L404-V448 HydrophobicContact CD2-CG1 3.84Å; L404-V448 HydrophobicContact CD2-CG2 4.3Å; L404-F453 HydrophobicContact CD1-CD2 4.25Å; L404-F453 HydrophobicContact CD1-CE2 3.99Å; L404-F453 HydrophobicContact CD1-CZ 4.38Å; L404-F453 HydrophobicContact CD2-CD2 3.91Å; L404-F453 HydrophobicContact CD2-CE2 4.37Å
405A97.9Very high96.6Very high7 Ų749.4 Ų49.46%0.05824%0.242CC..Hα-helixtrans-58.4-41176.700000111.7W401 L408 R409 L427W401-A405 HydrophobicContact CD2-CB 4.39Å; W401-A405 HydrophobicContact CZ2-CB 3.9Å; W401-A405 WeakPolarHBondContact O-CB 3.29Å; W401-A405 PolarHBondContact O-N 3.27Å; A405-L408 PolarHBondContact O-N 3.11Å; A405-R409 PolarHBondContact O-N 2.89Å; A405-L427 HydrophobicContact CB-CD1 4.06Å; A405-L427 HydrophobicContact CB-CD2 3.97Å; A405-L427 HydrophobicContact CB-CG 4.49Å
406E97.1Very high96.9Very high69 Ų6947.7 Ų47.732%0.32223%0.234SC..Hα-helixtrans-70-41.2177.4-161.662.3-164.200111.5S402 Q403 L404 L408 R409 Y410S402-E406 PolarHBondContact O-N 3.11Å; Q403-E406 PolarHBondContact O-N 2.84Å; L404-E406 VanDerWaalsContact C-N 3.27Å; L404-E406 PolarHBondContact O-N 2.82Å; E406-L408 VanDerWaalsContact C-N 3.32Å; E406-L408 PolarHBondContact O-N 2.96Å; E406-R409 WeakPolarHBondContact O-CB 3.37Å; E406-R409 PolarHBondContact O-N 3.25Å; E406-R409 WeakPolarHBondContact OE2-CD 3.27Å; E406-R409 IonicContact OE2-CZ 3.35Å; E406-R409 IonicContact OE2-NH1 3.75Å; E406-R409 PolarHBondContact OE2-NH1 3Å; E406-Y410 HydrophobicContact CG-CE2 3.75Å; E406-Y410 WeakPolarHBondContact O-CD2 3.27Å; E406-Y410 PolarHBondContact O-N 3.34Å; E406-Y410 PolarHBondContact OE1-OH 2.85Å
407A97.7Very high96.9Very high4 Ų448.2 Ų48.23%0.03325%0.246CC..Hα-helixtrans-60.7-40.6172.600000112.3I137 L381 A385 F386 Q403 L404 R409 Y410 K411I137-A407 HydrophobicContact CD1-CB 4.2Å; L381-A407 HydrophobicContact CD1-CB 4.16Å; A385-A407 HydrophobicContact CB-CB 3.84Å; F386-A407 HydrophobicContact CE1-CB 4.39Å; F386-A407 HydrophobicContact CZ-CB 4.08Å; Q403-A407 PolarHBondContact O-N 3.45Å; Q403-A407 VanDerWaalsContact O-N 3.09Å; L404-A407 PolarHBondContact O-N 3.12Å; A407-R409 VanDerWaalsContact C-N 3.34Å; A407-R409 PolarHBondContact O-N 2.8Å; A407-Y410 PolarHBondContact O-N 2.89Å; A407-K411 WeakPolarHBondContact O-CB 3.18Å; A407-K411 PolarHBondContact O-N 2.76Å
408L98.2Very high97Very high0 Ų041.8 Ų41.80%021%0.213CC..Hα-helixtrans-63.3-37.1175.7-74.8172.5000112.1L381 W401 L404 A405 E406 K411 F412 F453 F466 W467 F470L381-L408 HydrophobicContact CD2-CD2 4.1Å; W401-L408 HydrophobicContact CH2-CD1 3.93Å; W401-L408 HydrophobicContact CZ3-CD1 4.1Å; L404-L408 HydrophobicContact CD1-CG 4.3Å; L404-L408 HydrophobicContact CG-CD1 4.16Å; L404-L408 HydrophobicContact CG-CG 4.37Å; L404-L408 WeakPolarHBondContact O-CB 3.45Å; L404-L408 VanDerWaalsContact O-CG 3.31Å; L404-L408 WeakPolarHBondContact O-CG 3.44Å; L404-L408 PolarHBondContact O-N 3.46Å; A405-L408 PolarHBondContact O-N 3.11Å; E406-L408 VanDerWaalsContact C-N 3.32Å; E406-L408 PolarHBondContact O-N 2.96Å; L408-K411 PolarHBondContact O-N 3.35Å; L408-F412 WeakPolarHBondContact O-CB 3.19Å; L408-F412 PolarHBondContact O-N 3.49Å; L408-F453 HydrophobicContact CD2-CE2 4.23Å; L408-F466 HydrophobicContact CD1-CE1 4.32Å; L408-F466 HydrophobicContact CD1-CZ 4.23Å; L408-W467 HydrophobicContact CD2-CE3 4.5Å; L408-W467 HydrophobicContact CD2-CZ3 4.03Å; L408-F470 HydrophobicContact CD2-CD1 4.1Å; L408-F470 HydrophobicContact CD2-CE1 3.71Å; L408-F470 HydrophobicContact CD2-CZ 4.07Å
409R97.5Very high97Very high81 Ų8145.4 Ų45.431%0.30623%0.231SC..Hα-helixtrans-60.1-49.7174-79.5173.6163.5167.82.4112.2A405 E406 A407 K411 F412 K413 L422 L427A405-R409 PolarHBondContact O-N 2.89Å; E406-R409 WeakPolarHBondContact O-CB 3.37Å; E406-R409 PolarHBondContact O-N 3.25Å; E406-R409 WeakPolarHBondContact OE2-CD 3.27Å; E406-R409 IonicContact OE2-CZ 3.35Å; E406-R409 IonicContact OE2-NH1 3.75Å; E406-R409 PolarHBondContact OE2-NH1 3Å; A407-R409 VanDerWaalsContact C-N 3.34Å; A407-R409 PolarHBondContact O-N 2.8Å; R409-K411 VanDerWaalsContact C-N 3.34Å; R409-F412 PolarHBondContact O-N 3Å; R409-K413 PolarHBondContact O-N 2.66Å; R409-K413 VanDerWaalsContact O-N 3.07Å; R409-L422 HydrophobicContact CG-CB 4.18Å; R409-L422 PolarHBondContact NE-O 3.06Å; R409-L427 HydrophobicContact CG-CD1 4.36Å; R409-L427 HydrophobicContact CG-CD2 4.43Å; R409-L427 VanDerWaalsContact CZ-CD1 3.5Å; R409-L427 VanDerWaalsContact NE-CD1 3.34Å
410Y96.7Very high96.9Very high62 Ų6246.8 Ų46.824%0.24324%0.236CC..Hα-helixtrans-60.5-47.7178.1-59.1-43.1000111M134 I137 L139 E406 A407 F412 K413 Y414M134-Y410 HydrophobicContact CE-CE2 4.44Å; I137-Y410 HydrophobicContact CD1-CD2 4.35Å; I137-Y410 CarbonylContact O-C 3.54Å; I137-Y410 VanDerWaalsContact O-C 3.31Å; L139-Y410 HydrophobicContact CB-CD1 4.42Å; L139-Y410 HydrophobicContact CB-CD2 4.33Å; L139-Y410 HydrophobicContact CB-CG 4.25Å; L139-Y410 HydrophobicContact CD1-CD1 3.86Å; L139-Y410 HydrophobicContact CD1-CD2 4.47Å; L139-Y410 HydrophobicContact CD1-CE1 3.39Å; L139-Y410 HydrophobicContact CD1-CE2 4.07Å; L139-Y410 HydrophobicContact CD1-CG 4.39Å; E406-Y410 HydrophobicContact CG-CE2 3.75Å; E406-Y410 WeakPolarHBondContact O-CD2 3.27Å; E406-Y410 PolarHBondContact O-N 3.34Å; E406-Y410 PolarHBondContact OE1-OH 2.85Å; A407-Y410 PolarHBondContact O-N 2.89Å; Y410-F412 PolarHBondContact O-N 3.43Å; Y410-K413 PolarHBondContact O-N 2.88Å; Y410-Y414 WeakPolarHBondContact O-CB 3.38Å; Y410-Y414 PolarHBondContact O-N 2.83Å
411K96.5Very high96.8Very high10 Ų1047.3 Ų47.34%0.04325%0.245CC..Hα-helixtrans-64.5-41.5-179.1-175.254.4168.8168.90112.1I137 L381 A407 L408 R409 Y414 Q415 W467I137-K411 VanDerWaalsContact O-CA 3.27Å; I137-K411 WeakPolarHBondContact O-CA 3.31Å; I137-K411 PolarHBondContact O-N 3.42Å; I137-K411 VanDerWaalsContact O-N 3.17Å; L381-K411 HydrophobicContact CD1-CB 3.91Å; L381-K411 HydrophobicContact CD1-CG 4.24Å; L381-K411 HydrophobicContact CD2-CB 4.18Å; L381-K411 HydrophobicContact CD2-CG 4.15Å; A407-K411 WeakPolarHBondContact O-CB 3.18Å; A407-K411 PolarHBondContact O-N 2.76Å; L408-K411 PolarHBondContact O-N 3.35Å; R409-K411 VanDerWaalsContact C-N 3.34Å; K411-Y414 PolarHBondContact O-N 2.91Å; K411-Q415 WeakPolarHBondContact O-CB 3.36Å; K411-Q415 PolarHBondContact O-N 3.44Å; K411-W467 HydrophobicContact CG-CH2 3.93Å
412F97.7Very high96.8Very high0 Ų046.7 Ų46.70%024%0.243CC..Hα-helixtrans-59.4-51.9177.2-177.6-89.7000111L408 R409 Y410 Y414 Q415 T416 A418 L422 F470 T474 I477 W485 F493L408-F412 WeakPolarHBondContact O-CB 3.19Å; L408-F412 PolarHBondContact O-N 3.49Å; R409-F412 PolarHBondContact O-N 3Å; Y410-F412 PolarHBondContact O-N 3.43Å; F412-Y414 PolarHBondContact O-N 3.31Å; F412-Q415 PolarHBondContact O-N 2.89Å; F412-T416 HydrophobicContact CD1-CG2 4.47Å; F412-T416 HydrophobicContact CD2-CG2 4.28Å; F412-T416 HydrophobicContact CE1-CG2 4.27Å; F412-T416 HydrophobicContact CE2-CG2 4.09Å; F412-T416 HydrophobicContact CG-CG2 4.47Å; F412-T416 HydrophobicContact CZ-CG2 4.09Å; F412-T416 WeakPolarHBondContact O-CB 3.23Å; F412-T416 VanDerWaalsContact O-CG2 3.31Å; F412-T416 WeakPolarHBondContact O-CG2 3.4Å; F412-T416 PolarHBondContact O-N 3.42Å; F412-T416 PolarHBondContact O-OG1 2.96Å; F412-A418 HydrophobicContact CE1-CB 4.25Å; F412-L422 HydrophobicContact CB-CD1 3.83Å; F412-L422 HydrophobicContact CB-CG 4.11Å; F412-L422 HydrophobicContact CD1-CD2 4.16Å; F412-L422 HydrophobicContact CD1-CG 3.94Å; F412-L422 HydrophobicContact CD2-CD1 4.15Å; F412-L422 HydrophobicContact CD2-CD2 3.84Å; F412-L422 HydrophobicContact CD2-CG 4.1Å; F412-L422 HydrophobicContact CE1-CD2 4.17Å; F412-L422 HydrophobicContact CE1-CG 4.39Å; F412-L422 HydrophobicContact CE2-CD2 3.84Å; F412-L422 HydrophobicContact CG-CD1 3.94Å; F412-L422 HydrophobicContact CG-CD2 4Å; F412-L422 HydrophobicContact CG-CG 3.78Å; F412-L422 HydrophobicContact CZ-CD2 4.01Å; F412-F470 HydrophobicContact CB-CZ 4.12Å; F412-F470 HydrophobicContact CD2-CE2 4.12Å; F412-F470 AromaticContact CD2-CZ 3.77Å; F412-F470 HydrophobicContact CD2-CZ 3.77Å; F412-F470 HydrophobicContact CG-CZ 4.43Å; F412-T474 HydrophobicContact CD2-CG2 3.76Å; F412-T474 HydrophobicContact CE2-CG2 4.19Å; F412-I477 HydrophobicContact CE2-CD1 3.68Å; F412-I477 HydrophobicContact CZ-CD1 3.56Å; F412-W485 AromaticContact CE1-CE2 3.62Å; F412-W485 AromaticContact CE1-CZ2 3.64Å; F412-W485 HydrophobicContact CE1-CZ2 3.64Å; F412-W485 AromaticContact CE1-NE1 3.52Å; F412-W485 HydrophobicContact CE2-CZ2 4.48Å; F412-W485 HydrophobicContact CZ-CD2 4.14Å; F412-W485 AromaticContact CZ-CE2 3.49Å; F412-W485 VanDerWaalsContact CZ-CE2 3.49Å; F412-W485 HydrophobicContact CZ-CH2 4.02Å; F412-W485 AromaticContact CZ-CZ2 3.43Å; F412-W485 HydrophobicContact CZ-CZ2 3.43Å; F412-W485 VanDerWaalsContact CZ-CZ2 3.43Å; F412-W485 AromaticContact CZ-NE1 3.81Å; F412-F493 HydrophobicContact CE2-CE2 4.19Å; F412-F493 HydrophobicContact CE2-CZ 4.21Å
413K96.7Very high96.8Very high120 Ų12044.9 Ų44.952%0.52223%0.23SC..Hα-helixtrans-57.8-48.9178.4-179.8174.7-178.3179.90111.4R409 Y410 G417R409-K413 PolarHBondContact O-N 2.66Å; R409-K413 VanDerWaalsContact O-N 3.07Å; Y410-K413 PolarHBondContact O-N 2.88Å; K413-G417 WeakPolarHBondContact O-CA 3.36Å; K413-G417 PolarHBondContact O-N 2.89Å
414Y95.1Very high96.7Very high144 Ų14447.6 Ų47.657%0.56524%0.24SC*.Hα-helixtrans-65.2-44-178.9175.3-98.3000113.2G138 Y410 K411 F412G138-Y414 VanDerWaalsContact CA-CB 3.5Å; Y410-Y414 WeakPolarHBondContact O-CB 3.38Å; Y410-Y414 PolarHBondContact O-N 2.83Å; K411-Y414 PolarHBondContact O-N 2.91Å; F412-Y414 PolarHBondContact O-N 3.31Å
415Q94.8Very high96.6Very high28 Ų2850.1 Ų50.113%0.13126%0.258CS..Hα-helixtrans-69.7-42.2-176.5-168.576.41500111.4K411 F412 T474 K478K411-Q415 WeakPolarHBondContact O-CB 3.36Å; K411-Q415 PolarHBondContact O-N 3.44Å; F412-Q415 PolarHBondContact O-N 2.89Å; Q415-T474 VanDerWaalsContact CG-OG1 3.28Å; Q415-T474 WeakPolarHBondContact CG-OG1 3.25Å; Q415-K478 VanDerWaalsContact O-CD 3.31Å; Q415-K478 WeakPolarHBondContact O-CD 3.38Å; Q415-K478 PolarHBondContact O-NZ 3.31Å
416T97.2Very high96.6Very high2 Ų249.8 Ų49.81%0.01226%0.256CS..Hα-helixtrans-83.7-32.1-176.860.50000113.5F412 A418 T474 I477F412-T416 HydrophobicContact CD1-CG2 4.47Å; F412-T416 HydrophobicContact CD2-CG2 4.28Å; F412-T416 HydrophobicContact CE1-CG2 4.27Å; F412-T416 HydrophobicContact CE2-CG2 4.09Å; F412-T416 HydrophobicContact CG-CG2 4.47Å; F412-T416 HydrophobicContact CZ-CG2 4.09Å; F412-T416 WeakPolarHBondContact O-CB 3.23Å; F412-T416 VanDerWaalsContact O-CG2 3.31Å; F412-T416 WeakPolarHBondContact O-CG2 3.4Å; F412-T416 PolarHBondContact O-N 3.42Å; F412-T416 PolarHBondContact O-OG1 2.96Å; T416-A418 WeakPolarHBondContact OG1-CB 3.48Å; T416-A418 PolarHBondContact OG1-N 3.46Å; T416-T474 HydrophobicContact CG2-CG2 4.1Å; T416-I477 HydrophobicContact CG2-CB 4.01Å; T416-I477 HydrophobicContact CG2-CD1 4.42Å; T416-I477 HydrophobicContact CG2-CG2 3.95Å
417G96.5Very high96.6Very high51 Ų5147.1 Ų47.153%0.52624%0.243SC..  trans76.210.2-165.600000113.8K413K413-G417 WeakPolarHBondContact O-CA 3.36Å; K413-G417 PolarHBondContact O-N 2.89Å
418A96.9Very high96.5Very high3 Ų350 Ų503%0.02526%0.258CS..  trans-66.9141.4-177.900000112.5F412 T416 L482 D486F412-A418 HydrophobicContact CE1-CB 4.25Å; T416-A418 WeakPolarHBondContact OG1-CB 3.48Å; T416-A418 PolarHBondContact OG1-N 3.46Å; A418-L482 HydrophobicContact CB-CD1 3.98Å; A418-D486 WeakPolarHBondContact CA-OD1 3.2Å; A418-D486 WeakPolarHBondContact CB-OD1 3.43Å
419T96.3Very high96.4Very high111 Ų11150.7 Ų50.768%0.68126%0.261SS*.SBendtrans-83.7-31.5169.257.30000111.6P421 D486T419-P421 WeakPolarHBondContact O-CD 3.22Å; T419-D486 VanDerWaalsContact N-CG 3.32Å; T419-D486 PolarHBondContact N-OD1 2.97Å; T419-D486 PolarHBondContact N-OD2 2.83Å; T419-D486 PolarHBondContact OG1-OD1 3.39Å; T419-D486 PolarHBondContact OG1-OD2 2.79Å
420R96Very high96.4Very high36 Ų3646.8 Ų46.814%0.13625%0.246CC..SBendtrans-78.8119.6174.5179.7176.8165.4-111.4-12.1111D426 W485 D486 I490 S573R420-D426 IonicContact NH2-OD2 3.43Å; R420-W485 VanDerWaalsContact CD-O 3.3Å; R420-W485 WeakPolarHBondContact CD-O 3.41Å; R420-W485 PolarHBondContact NH1-O 3.18Å; R420-W485 PolarHBondContact O-NE1 2.77Å; R420-D486 PolarHBondContact N-OD1 2.73Å; R420-I490 PolarHBondContact NH1-O 3.46Å; R420-S573 VanDerWaalsContact CZ-CB 3.47Å
421P95.4Very high96.4Very high82 Ų8243.9 Ų43.953%0.53224%0.235SC..PPolyproline II helixtrans-78.6169.8178.434.1-36000112.3T419 S423T419-P421 WeakPolarHBondContact O-CD 3.22Å; P421-S423 PolarHBondContact O-N 2.91Å
422L97.5Very high96.4Very high2 Ų246.6 Ų46.61%0.0125%0.248CC..PPolyproline II helixtrans-65.6120.4166.8-64.5173.4000110R409 F412 D426 L427 L430 F470 W485 F493R409-L422 HydrophobicContact CG-CB 4.18Å; R409-L422 PolarHBondContact NE-O 3.06Å; F412-L422 HydrophobicContact CB-CD1 3.83Å; F412-L422 HydrophobicContact CB-CG 4.11Å; F412-L422 HydrophobicContact CD1-CD2 4.16Å; F412-L422 HydrophobicContact CD1-CG 3.94Å; F412-L422 HydrophobicContact CD2-CD1 4.15Å; F412-L422 HydrophobicContact CD2-CD2 3.84Å; F412-L422 HydrophobicContact CD2-CG 4.1Å; F412-L422 HydrophobicContact CE1-CD2 4.17Å; F412-L422 HydrophobicContact CE1-CG 4.39Å; F412-L422 HydrophobicContact CE2-CD2 3.84Å; F412-L422 HydrophobicContact CG-CD1 3.94Å; F412-L422 HydrophobicContact CG-CD2 4Å; F412-L422 HydrophobicContact CG-CG 3.78Å; F412-L422 HydrophobicContact CZ-CD2 4.01Å; L422-D426 HydrophobicContact CB-CB 4.34Å; L422-D426 HydrophobicContact CD2-CB 4.18Å; L422-L427 HydrophobicContact CB-CD2 4.31Å; L422-L427 HydrophobicContact CB-CG 4.42Å; L422-L427 HydrophobicContact CD1-CD2 4.18Å; L422-L430 HydrophobicContact CD1-CD1 4.03Å; L422-F470 HydrophobicContact CD1-CE2 4.31Å; L422-F470 HydrophobicContact CD1-CZ 4.2Å; L422-W485 HydrophobicContact CD2-CH2 4.28Å; L422-W485 HydrophobicContact CD2-CZ2 4.22Å; L422-F493 HydrophobicContact CD2-CD2 3.93Å; L422-F493 HydrophobicContact CD2-CE2 3.37Å; L422-F493 HydrophobicContact CD2-CZ 4.13Å
423S96.2Very high96.3Very high33 Ų3348 Ų4823%0.23125%0.254CS..PPolyproline II helixtrans-71.5171.1176.870.10000111.6P421 S425 D426 L427P421-S423 PolarHBondContact O-N 2.91Å; S423-S425 VanDerWaalsContact C-N 3.34Å; S423-S425 PolarHBondContact O-N 3.19Å; S423-S425 PolarHBondContact OG-OG 2.78Å; S423-D426 WeakPolarHBondContact CB-OD2 3.34Å; S423-D426 PolarHBondContact N-OD2 2.76Å; S423-D426 PolarHBondContact O-N 3.47Å; S423-D426 PolarHBondContact OG-N 3.28Å; S423-D426 PolarHBondContact OG-OD2 3.44Å; S423-L427 PolarHBondContact O-N 2.96Å
424K95.5Very high96.3Very high154 Ų15442.8 Ų42.867%0.6723%0.232SC*.Hα-helixtrans-59.3-45.3174.5-176.6175.3177.6176.30111.7D426 L427 D428K424-D426 VanDerWaalsContact C-N 3.27Å; K424-D426 PolarHBondContact O-N 3Å; K424-L427 PolarHBondContact O-N 3.31Å; K424-L427 VanDerWaalsContact O-N 3.14Å; K424-D428 VanDerWaalsContact O-CG 3.27Å; K424-D428 PolarHBondContact O-N 3.36Å
425S94.9Very high96.3Very high54 Ų5437 Ų3738%0.37821%0.211SC..Hα-helixtrans-63.7-32.2177.451.50000113.1S423 Y429S423-S425 VanDerWaalsContact C-N 3.34Å; S423-S425 PolarHBondContact O-N 3.19Å; S423-S425 PolarHBondContact OG-OG 2.78Å; S425-Y429 PolarHBondContact O-N 2.74Å; S425-Y429 VanDerWaalsContact O-N 3.12Å
426D97.3Very high96.2Very high0 Ų039 Ų390%024%0.238CC..Hα-helixtrans-67.8-42.3175-58.6-39.7000110.4R420 L422 S423 K424 Y429 L430 R491 F493R420-D426 IonicContact NH2-OD2 3.43Å; L422-D426 HydrophobicContact CB-CB 4.34Å; L422-D426 HydrophobicContact CD2-CB 4.18Å; S423-D426 WeakPolarHBondContact CB-OD2 3.34Å; S423-D426 PolarHBondContact N-OD2 2.76Å; S423-D426 PolarHBondContact O-N 3.47Å; S423-D426 PolarHBondContact OG-N 3.28Å; S423-D426 PolarHBondContact OG-OD2 3.44Å; K424-D426 VanDerWaalsContact C-N 3.27Å; K424-D426 PolarHBondContact O-N 3Å; D426-Y429 WeakPolarHBondContact O-CB 3.46Å; D426-Y429 PolarHBondContact O-N 2.99Å; D426-L430 WeakPolarHBondContact O-CG 3.31Å; D426-L430 PolarHBondContact O-N 2.92Å; D426-R491 IonicContact OD1-NH1 2.71Å; D426-R491 PolarHBondContact OD1-NH1 3.46Å; D426-R491 VanDerWaalsContact OD1-NH1 3.11Å; D426-F493 HydrophobicContact CB-CB 4.07Å; D426-F493 HydrophobicContact CB-CD2 3.8Å; D426-F493 HydrophobicContact CB-CG 4.25Å
427L97.6Very high95.9Very high12 Ų1243.1 Ų43.16%0.06326%0.257CS..Hα-helixtrans-66.2-42.1175.6-69.5177.2000112.3W401 A405 R409 L422 S423 K424 Y429 L430 A431W401-L427 HydrophobicContact CZ2-CB 4.43Å; W401-L427 WeakPolarHBondContact CZ2-O 3.34Å; A405-L427 HydrophobicContact CB-CD1 4.06Å; A405-L427 HydrophobicContact CB-CD2 3.97Å; A405-L427 HydrophobicContact CB-CG 4.49Å; R409-L427 HydrophobicContact CG-CD1 4.36Å; R409-L427 HydrophobicContact CG-CD2 4.43Å; R409-L427 VanDerWaalsContact CZ-CD1 3.5Å; R409-L427 VanDerWaalsContact NE-CD1 3.34Å; L422-L427 HydrophobicContact CB-CD2 4.31Å; L422-L427 HydrophobicContact CB-CG 4.42Å; L422-L427 HydrophobicContact CD1-CD2 4.18Å; S423-L427 PolarHBondContact O-N 2.96Å; K424-L427 PolarHBondContact O-N 3.31Å; K424-L427 VanDerWaalsContact O-N 3.14Å; L427-Y429 VanDerWaalsContact C-N 3.25Å; L427-Y429 PolarHBondContact O-N 2.93Å; L427-L430 HydrophobicContact CD2-CD1 4.27Å; L427-L430 PolarHBondContact O-N 3.04Å; L427-L430 VanDerWaalsContact O-N 3.12Å; L427-A431 WeakPolarHBondContact O-CB 3.32Å; L427-A431 PolarHBondContact O-N 3.36Å
428D95.6Very high95.6Very high66 Ų6643.3 Ų43.335%0.35325%0.249SC..Hα-helixtrans-60.1-39.9177.7-66.1-24.1000110.8K424 A431 E432K424-D428 VanDerWaalsContact O-CG 3.27Å; K424-D428 PolarHBondContact O-N 3.36Å; D428-A431 WeakPolarHBondContact O-CB 3.17Å; D428-A431 PolarHBondContact O-N 3.46Å; D428-E432 PolarHBondContact O-N 3.37Å; D428-E432 VanDerWaalsContact O-N 3.14Å
429Y96.6Very high95.2Very high13 Ų1345.1 Ų45.15%0.05126%0.258CS..Hα-helixtrans-62.1-46.7172.3-178.3-99.6000112.5S425 D426 L427 A431 E432 K433 W469 F493 I494 D517S425-Y429 PolarHBondContact O-N 2.74Å; S425-Y429 VanDerWaalsContact O-N 3.12Å; D426-Y429 WeakPolarHBondContact O-CB 3.46Å; D426-Y429 PolarHBondContact O-N 2.99Å; L427-Y429 VanDerWaalsContact C-N 3.25Å; L427-Y429 PolarHBondContact O-N 2.93Å; Y429-A431 VanDerWaalsContact C-N 3.27Å; Y429-A431 PolarHBondContact O-N 3.41Å; Y429-E432 PolarHBondContact O-N 3.01Å; Y429-K433 HydrophobicContact CD1-CG 4.35Å; Y429-K433 HydrophobicContact CE1-CG 4.03Å; Y429-K433 WeakPolarHBondContact O-CG 3.2Å; Y429-K433 PolarHBondContact O-N 3.32Å; Y429-K433 VanDerWaalsContact O-N 3.16Å; Y429-K433 WeakPolarHBondContact OH-CE 3.28Å; Y429-K433 PolarHBondContact OH-NZ 3.48Å; Y429-W469 HydrophobicContact CD1-CH2 4.39Å; Y429-W469 AromaticContact CE1-CH2 3.86Å; Y429-W469 HydrophobicContact CE1-CH2 3.86Å; Y429-W469 HydrophobicContact CE1-CZ2 4.14Å; Y429-F493 HydrophobicContact CD1-CB 3.59Å; Y429-F493 HydrophobicContact CD1-CD1 4.07Å; Y429-F493 HydrophobicContact CD1-CG 4.31Å; Y429-F493 HydrophobicContact CE1-CB 4.26Å; Y429-F493 HydrophobicContact CE1-CD1 4.32Å; Y429-F493 HydrophobicContact CG-CB 4.08Å; Y429-I494 VanDerWaalsContact CE2-C 3.42Å; Y429-D517 PolarHBondContact OH-OD1 2.63Å; Y429-D517 PolarHBondContact OH-OD2 3.3Å
430L97.8Very high94.9Very high0 Ų045.2 Ų45.20%026%0.264CS..Hα-helixtrans-63.1-35.5177.9-67.4170.5000111.8W401 L422 D426 L427 K433 V434 F466 W469 F470 F493W401-L430 HydrophobicContact CH2-CB 3.76Å; W401-L430 HydrophobicContact CZ2-CB 4.2Å; L422-L430 HydrophobicContact CD1-CD1 4.03Å; D426-L430 WeakPolarHBondContact O-CG 3.31Å; D426-L430 PolarHBondContact O-N 2.92Å; L427-L430 HydrophobicContact CD2-CD1 4.27Å; L427-L430 PolarHBondContact O-N 3.04Å; L427-L430 VanDerWaalsContact O-N 3.12Å; L430-K433 PolarHBondContact O-N 2.66Å; L430-V434 PolarHBondContact O-N 3.1Å; L430-F466 HydrophobicContact CB-CE2 4.25Å; L430-F466 HydrophobicContact CB-CZ 4.25Å; L430-F466 HydrophobicContact CD2-CE2 3.86Å; L430-F466 HydrophobicContact CD2-CZ 4.07Å; L430-W469 HydrophobicContact CD2-CH2 3.67Å; L430-W469 HydrophobicContact CD2-CZ3 3.46Å; L430-W469 VanDerWaalsContact CD2-CZ3 3.46Å; L430-F470 HydrophobicContact CD1-CD2 4.36Å; L430-F470 HydrophobicContact CD1-CE2 3.87Å; L430-F470 HydrophobicContact CD2-CD2 3.85Å; L430-F470 HydrophobicContact CD2-CE2 4.19Å; L430-F493 HydrophobicContact CD2-CD1 3.79Å; L430-F493 HydrophobicContact CD2-CE1 3.78Å; L430-F493 HydrophobicContact CG-CD1 4.29Å
431A97Very high94.6Very high0 Ų047.4 Ų47.40%029%0.285CS..Hα-helixtrans-60.3-47.9175.700000110.6W401 L427 D428 Y429 K433 V434 L435 L439W401-A431 HydrophobicContact CD2-CB 3.88Å; W401-A431 HydrophobicContact CG-CB 4.33Å; W401-A431 HydrophobicContact CH2-CB 4.24Å; W401-A431 HydrophobicContact CZ2-CB 3.57Å; L427-A431 WeakPolarHBondContact O-CB 3.32Å; L427-A431 PolarHBondContact O-N 3.36Å; D428-A431 WeakPolarHBondContact O-CB 3.17Å; D428-A431 PolarHBondContact O-N 3.46Å; Y429-A431 VanDerWaalsContact C-N 3.27Å; Y429-A431 PolarHBondContact O-N 3.41Å; A431-K433 VanDerWaalsContact C-N 3.27Å; A431-K433 PolarHBondContact O-N 3.37Å; A431-V434 WeakPolarHBondContact O-CG1 3.49Å; A431-V434 PolarHBondContact O-N 2.94Å; A431-L435 HydrophobicContact CB-CD1 4.41Å; A431-L435 VanDerWaalsContact O-CB 3.24Å; A431-L435 WeakPolarHBondContact O-CB 3.45Å; A431-L435 VanDerWaalsContact O-CG 3.28Å; A431-L435 WeakPolarHBondContact O-CG 3.33Å; A431-L435 PolarHBondContact O-N 3Å; A431-L439 HydrophobicContact CB-CB 4.22Å; A431-L439 HydrophobicContact CB-CD1 4.36Å; A431-L439 HydrophobicContact CB-CD2 4.39Å
432E95.5Very high94.3Very high68 Ų6844 Ų4432%0.31826%0.264SS..Hα-helixtrans-59.5-40177.6-172.5-173144.300111.7D428 Y429 G436 Q437D428-E432 PolarHBondContact O-N 3.37Å; D428-E432 VanDerWaalsContact O-N 3.14Å; Y429-E432 PolarHBondContact O-N 3.01Å; E432-G436 VanDerWaalsContact O-CA 3.31Å; E432-G436 WeakPolarHBondContact O-CA 3.48Å; E432-G436 PolarHBondContact O-N 3.35Å; E432-Q437 WeakPolarHBondContact CA-O 3.5Å; E432-Q437 PolarHBondContact O-N 3.35Å
433K95.6Very high93.6Very high30 Ų3052.1 Ų52.113%0.1330%0.303CS..Hα-helixtrans-68-37.6178.9-65.2-48.3-174.9-173.70114Y429 L430 A431 M458 F466 W469 D517Y429-K433 HydrophobicContact CD1-CG 4.35Å; Y429-K433 HydrophobicContact CE1-CG 4.03Å; Y429-K433 WeakPolarHBondContact O-CG 3.2Å; Y429-K433 PolarHBondContact O-N 3.32Å; Y429-K433 VanDerWaalsContact O-N 3.16Å; Y429-K433 WeakPolarHBondContact OH-CE 3.28Å; Y429-K433 PolarHBondContact OH-NZ 3.48Å; L430-K433 PolarHBondContact O-N 2.66Å; A431-K433 VanDerWaalsContact C-N 3.27Å; A431-K433 PolarHBondContact O-N 3.37Å; K433-M458 HydrophobicContact CB-CG 4.42Å; K433-M458 HydrophobicContact CB-SD 4Å; K433-M458 HydrophobicContact CD-SD 4.31Å; K433-M458 HydrophobicContact CG-SD 4.26Å; K433-F466 HydrophobicContact CB-CD2 3.94Å; K433-F466 HydrophobicContact CB-CE2 4.13Å; K433-W469 HydrophobicContact CG-CH2 4.41Å; K433-D517 VanDerWaalsContact CE-OD2 3.31Å; K433-D517 WeakPolarHBondContact CE-OD2 3.29Å; K433-D517 IonicContact NZ-OD2 3.48Å; K433-D517 PolarHBondContact NZ-OD2 3.13Å
434V96.5Very high93.2Very high9 Ų957.3 Ų57.36%0.05532%0.324CS..Hα-helixtrans-82.6-34.4-179.978.10000112.2W401 L430 A431 V448 M452 F466W401-V434 HydrophobicContact CE3-CG1 3.76Å; W401-V434 HydrophobicContact CH2-CG1 4.49Å; W401-V434 HydrophobicContact CZ3-CG1 3.58Å; L430-V434 PolarHBondContact O-N 3.1Å; A431-V434 WeakPolarHBondContact O-CG1 3.49Å; A431-V434 PolarHBondContact O-N 2.94Å; V434-V448 HydrophobicContact CG1-CG1 4.43Å; V434-V448 HydrophobicContact CG1-CG2 3.87Å; V434-V448 HydrophobicContact CG2-CG1 3.7Å; V434-M452 WeakPolarHBondContact O-CE 3.08Å; V434-F466 HydrophobicContact CB-CD1 4.25Å; V434-F466 HydrophobicContact CB-CD2 4.07Å; V434-F466 HydrophobicContact CB-CE1 4.46Å; V434-F466 HydrophobicContact CB-CE2 4.26Å; V434-F466 HydrophobicContact CB-CG 4.05Å; V434-F466 HydrophobicContact CB-CZ 4.46Å; V434-F466 HydrophobicContact CG2-CB 4.36Å; V434-F466 HydrophobicContact CG2-CD1 3.97Å; V434-F466 HydrophobicContact CG2-CE1 4.44Å; V434-F466 HydrophobicContact CG2-CG 4.04Å
435L94.8Very high93Very high24 Ų2453.4 Ų53.413%0.12632%0.315CS..Hα-helixtrans-83.7-20.4-179.7-64.7170.9000112.8A431 Q437 L439 A442 A446 M447 V448 M452A431-L435 HydrophobicContact CB-CD1 4.41Å; A431-L435 VanDerWaalsContact O-CB 3.24Å; A431-L435 WeakPolarHBondContact O-CB 3.45Å; A431-L435 VanDerWaalsContact O-CG 3.28Å; A431-L435 WeakPolarHBondContact O-CG 3.33Å; A431-L435 PolarHBondContact O-N 3Å; L435-Q437 HydrophobicContact CB-CG 4.22Å; L435-Q437 PolarHBondContact O-N 3.35Å; L435-L439 HydrophobicContact CD1-CD1 3.82Å; L435-A442 HydrophobicContact CD1-CB 4.25Å; L435-A446 HydrophobicContact CD1-CB 4.18Å; L435-M447 WeakPolarHBondContact CD2-O 3.49Å; L435-V448 HydrophobicContact CD2-CG2 3.81Å; L435-M452 HydrophobicContact CD2-CE 4.11Å
436G92.5Very high93Very high69 Ų6951.2 Ų51.271%0.71130%0.299SS*.SBendtrans737.7-172.600000114.1E432E432-G436 VanDerWaalsContact O-CA 3.31Å; E432-G436 WeakPolarHBondContact O-CA 3.48Å; E432-G436 PolarHBondContact O-N 3.35Å
437Q91.8Very high92.9Very high88 Ų8855.3 Ų55.341%0.41132%0.32SS..SBendtrans-153.4154-179.363.3-175.6-2.200111E432 L435 L439E432-Q437 WeakPolarHBondContact CA-O 3.5Å; E432-Q437 PolarHBondContact O-N 3.35Å; L435-Q437 HydrophobicContact CB-CG 4.22Å; L435-Q437 PolarHBondContact O-N 3.35Å; Q437-L439 PolarHBondContact O-N 3.08Å
438P90.7Very high93Very high55 Ų5554.8 Ų54.836%0.35732%0.317SS..  trans-56.6140.2176.4-25.334.7000111.9S440 S441 A442P438-S440 PolarHBondContact O-N 2.97Å; P438-S441 WeakPolarHBondContact O-CB 3.03Å; P438-S441 PolarHBondContact O-N 3.47Å; P438-A442 PolarHBondContact O-N 3.35Å
439L89.1Confident93Very high41 Ų4154.1 Ų54.122%0.21532%0.315CS..G310 helixtrans-59-32.2-177.9-174.364.4000112.8W401 A431 L435 Q437 S441 A442 A446W401-L439 HydrophobicContact CG-CD1 4.41Å; A431-L439 HydrophobicContact CB-CB 4.22Å; A431-L439 HydrophobicContact CB-CD1 4.36Å; A431-L439 HydrophobicContact CB-CD2 4.39Å; L435-L439 HydrophobicContact CD1-CD1 3.82Å; Q437-L439 PolarHBondContact O-N 3.08Å; L439-S441 PolarHBondContact O-N 2.85Å; L439-A442 PolarHBondContact O-N 3.29Å; L439-A446 HydrophobicContact CD1-CB 3.74Å
440S89.5Confident93Very high114 Ų11454.5 Ų54.580%0.79732%0.318SS*.G310 helixtrans-64-24.9175.2510000113.7P438P438-S440 PolarHBondContact O-N 2.97Å
441S90.1Very high92.9Very high82 Ų8257.9 Ų57.957%0.57334%0.336SS*.G310 helixtrans-94.6-9.4179.1-57.10000112.7P438 L439P438-S441 WeakPolarHBondContact O-CB 3.03Å; P438-S441 PolarHBondContact O-N 3.47Å; L439-S441 PolarHBondContact O-N 2.85Å
442A87.3Confident92.9Very high11 Ų1160.3 Ų60.39%0.09135%0.348CS..SBendtrans-78.4145.8-178.300000112.3L435 P438 L439 Q444 A446L435-A442 HydrophobicContact CD1-CB 4.25Å; P438-A442 PolarHBondContact O-N 3.35Å; L439-A442 PolarHBondContact O-N 3.29Å; A442-Q444 PolarHBondContact O-NE2 3.43Å; A442-A446 HydrophobicContact CB-CB 4.12Å
443M83.6Confident93Very high171 Ų17157.1 Ų57.184%0.84233%0.333SS*.PPolyproline II helixtrans-59.5139.6169.9-69.1-171.67500110.2P445 A446M443-P445 CarbonylContact O-C 3.6Å; M443-A446 VanDerWaalsContact O-CA 3.22Å; M443-A446 WeakPolarHBondContact O-CA 3.31Å; M443-A446 PolarHBondContact O-N 3.41Å; M443-A446 VanDerWaalsContact O-N 3.15Å
444Q88.6Confident93Very high142 Ų14255.9 Ų55.966%0.66433%0.329SS*.SBendtrans-103.1132.9-178.3-64.1-61.3-32.800111.2A442A442-Q444 PolarHBondContact O-NE2 3.43Å
445P89.6Confident92.8Very high73 Ų7359.4 Ų59.447%0.47434%0.343SS..SBendcis-71.7140.8-2.931.1-34.4000111.8E400 M443 M447E400-P445 HydrophobicContact CG-CB 4.04Å; E400-P445 HydrophobicContact CG-CG 4.47Å; M443-P445 CarbonylContact O-C 3.6Å; P445-M447 HydrophobicContact CG-SD 4.36Å; P445-M447 PolarHBondContact O-N 2.93Å
446A94.8Very high92.8Very high7 Ų761.9 Ų61.96%0.05836%0.357CS..  trans-69.4114.7178.500000110.2E400 W401 L435 L439 A442 M443E400-A446 WeakPolarHBondContact CA-O 3.3Å; W401-A446 HydrophobicContact CB-CB 4.23Å; W401-A446 PolarHBondContact N-O 3.17Å; L435-A446 HydrophobicContact CD1-CB 4.18Å; L439-A446 HydrophobicContact CD1-CB 3.74Å; A442-A446 HydrophobicContact CB-CB 4.12Å; M443-A446 VanDerWaalsContact O-CA 3.22Å; M443-A446 WeakPolarHBondContact O-CA 3.31Å; M443-A446 PolarHBondContact O-N 3.41Å; M443-A446 VanDerWaalsContact O-N 3.15Å
447M97Very high92.9Very high87 Ų8762 Ų6243%0.42935%0.345SS..EExtended strand (participates in β ladder)trans-96.9138.1-177.9-61.9-58.3-69.900111.4A398 E400 L435 P445A398-M447 HydrophobicContact CB-CE 3.9Å; E400-M447 HydrophobicContact CG-SD 3.87Å; L435-M447 WeakPolarHBondContact CD2-O 3.49Å; P445-M447 HydrophobicContact CG-SD 4.36Å; P445-M447 PolarHBondContact O-N 2.93Å
448V97.9Very high93Very high0 Ų058.9 Ų58.90%033%0.33CS..EExtended strand (participates in β ladder)trans-117.5127.5172.5179.50000107.9W382 A398 V399 W401 L404 V434 L435 M452 F453W382-V448 HydrophobicContact CH2-CG1 4.3Å; W382-V448 WeakPolarHBondContact CH2-O 3.47Å; W382-V448 HydrophobicContact CZ3-CG1 4.41Å; A398-V448 CarbonylContact C-O 3.18Å; A398-V448 WeakPolarHBondContact CA-O 3.35Å; V399-V448 PolarHBondContact N-O 2.79Å; V399-V448 PolarHBondContact O-N 3.3Å; W401-V448 HydrophobicContact CB-CG2 4.38Å; W401-V448 HydrophobicContact CE3-CG2 4.08Å; L404-V448 HydrophobicContact CD2-CB 4.12Å; L404-V448 HydrophobicContact CD2-CG1 3.84Å; L404-V448 HydrophobicContact CD2-CG2 4.3Å; V434-V448 HydrophobicContact CG1-CG1 4.43Å; V434-V448 HydrophobicContact CG1-CG2 3.87Å; V434-V448 HydrophobicContact CG2-CG1 3.7Å; L435-V448 HydrophobicContact CD2-CG2 3.81Å; V448-M452 HydrophobicContact CG1-CB 4.26Å; V448-F453 HydrophobicContact CG1-CB 4.14Å
449T97.5Very high93.1Very high52 Ų5260 Ų6032%0.31933%0.328SS..EExtended strand (participates in β ladder)trans-85.1158172.869.70000111.1D397 A398 D451 M452 F453D397-T449 CarbonylContact O-C 3.5Å; D397-T449 VanDerWaalsContact O-CA 3.28Å; D397-T449 WeakPolarHBondContact O-CA 3.28Å; A398-T449 HydrophobicContact CB-CG2 4.19Å; T449-D451 PolarHBondContact O-N 3.45Å; T449-M452 HydrophobicContact CG2-SD 4.19Å; T449-M452 PolarHBondContact O-N 3.39Å; T449-M452 VanDerWaalsContact OG1-CG 3.25Å; T449-M452 WeakPolarHBondContact OG1-CG 3.24Å; T449-M452 PolarHBondContact OG1-N 3.05Å; T449-F453 PolarHBondContact O-N 2.72Å
450L96.1Very high93.1Very high22 Ų2267.8 Ų67.812%0.11536%0.363CS..Hα-helixtrans-55.3-41.7175178.761000111.6M379 W382 D397 F453 C454M379-L450 HydrophobicContact CE-CD2 4.01Å; M379-L450 HydrophobicContact SD-CD1 3.95Å; M379-L450 HydrophobicContact SD-CD2 4.06Å; M379-L450 HydrophobicContact SD-CG 4.38Å; W382-L450 HydrophobicContact CB-CD1 4.06Å; W382-L450 HydrophobicContact CD2-CD1 3.63Å; W382-L450 HydrophobicContact CE3-CD1 4.09Å; W382-L450 HydrophobicContact CG-CD1 3.62Å; W382-L450 HydrophobicContact CZ2-CB 4.01Å; D397-L450 PolarHBondContact O-N 3.01Å; L450-F453 WeakPolarHBondContact O-CB 3.34Å; L450-F453 PolarHBondContact O-N 2.87Å; L450-C454 PolarHBondContact O-N 3.19Å; L450-C454 PolarHBondContact O-SG 3.45Å
451D95.5Very high93.2Very high70 Ų7067.5 Ų67.537%0.37435%0.352SS..Hα-helixtrans-66.2-43.1-179.9-68.3-12.1000111.8T449 F453 C454 K455 N456T449-D451 PolarHBondContact O-N 3.45Å; D451-F453 PolarHBondContact O-N 3.38Å; D451-C454 PolarHBondContact O-N 3.35Å; D451-K455 HydrophobicContact CB-CB 4.34Å; D451-K455 CarbonylContact O-C 3.51Å; D451-K455 PolarHBondContact O-N 3.13Å; D451-K455 WeakPolarHBondContact OD1-CD 3.46Å; D451-K455 WeakPolarHBondContact OD1-CE 3.46Å; D451-K455 IonicContact OD1-NZ 3.92Å; D451-N456 WeakPolarHBondContact O-CB 3.48Å; D451-N456 PolarHBondContact O-N 3.29Å
452M96.8Very high93.4Very high52 Ų5264.7 Ų64.726%0.25633%0.331SS..Hα-helixtrans-57.9-38.5173.2-72.4169.46700111.8V434 L435 V448 T449V434-M452 WeakPolarHBondContact O-CE 3.08Å; L435-M452 HydrophobicContact CD2-CE 4.11Å; V448-M452 HydrophobicContact CG1-CB 4.26Å; T449-M452 HydrophobicContact CG2-SD 4.19Å; T449-M452 PolarHBondContact O-N 3.39Å; T449-M452 VanDerWaalsContact OG1-CG 3.25Å; T449-M452 WeakPolarHBondContact OG1-CG 3.24Å; T449-M452 PolarHBondContact OG1-N 3.05Å
453F97.5Very high93.7Very high0 Ų071.3 Ų71.30%037%0.365CS..Hα-helixtrans-71-46.3-177.7173.7-113.5000113.1A378 L381 W382 L404 L408 V448 T449 L450 D451 F466 W467A378-F453 HydrophobicContact CB-CE1 3.93Å; L381-F453 HydrophobicContact CD2-CZ 4Å; W382-F453 HydrophobicContact CD2-CD1 4.47Å; W382-F453 HydrophobicContact CE3-CB 4.08Å; W382-F453 AromaticContact CE3-CD1 3.44Å; W382-F453 HydrophobicContact CE3-CD1 3.44Å; W382-F453 VanDerWaalsContact CE3-CD1 3.44Å; W382-F453 AromaticContact CE3-CE1 3.99Å; W382-F453 HydrophobicContact CE3-CE1 3.99Å; W382-F453 AromaticContact CE3-CG 3.81Å; W382-F453 HydrophobicContact CE3-CG 3.81Å; W382-F453 HydrophobicContact CH2-CB 4.32Å; W382-F453 HydrophobicContact CZ3-CB 3.53Å; W382-F453 AromaticContact CZ3-CD1 3.81Å; W382-F453 HydrophobicContact CZ3-CD1 3.81Å; W382-F453 HydrophobicContact CZ3-CD2 4.39Å; W382-F453 AromaticContact CZ3-CG 3.66Å; W382-F453 HydrophobicContact CZ3-CG 3.66Å; L404-F453 HydrophobicContact CD1-CD2 4.25Å; L404-F453 HydrophobicContact CD1-CE2 3.99Å; L404-F453 HydrophobicContact CD1-CZ 4.38Å; L404-F453 HydrophobicContact CD2-CD2 3.91Å; L404-F453 HydrophobicContact CD2-CE2 4.37Å; L408-F453 HydrophobicContact CD2-CE2 4.23Å; V448-F453 HydrophobicContact CG1-CB 4.14Å; T449-F453 PolarHBondContact O-N 2.72Å; L450-F453 WeakPolarHBondContact O-CB 3.34Å; L450-F453 PolarHBondContact O-N 2.87Å; D451-F453 PolarHBondContact O-N 3.38Å; F453-F466 AromaticContact CD2-CD1 3.77Å; F453-F466 HydrophobicContact CD2-CD1 3.77Å; F453-F466 AromaticContact CD2-CE1 3.88Å; F453-F466 HydrophobicContact CD2-CE1 3.88Å; F453-F466 HydrophobicContact CE2-CD1 4.06Å; F453-F466 AromaticContact CE2-CE1 3.85Å; F453-F466 HydrophobicContact CE2-CE1 3.85Å; F453-W467 HydrophobicContact CE1-CB 4.49Å; F453-W467 HydrophobicContact CE1-CD2 4.3Å; F453-W467 HydrophobicContact CE1-CE3 4.07Å; F453-W467 HydrophobicContact CE2-CB 4.49Å; F453-W467 AromaticContact CE2-CE3 3.69Å; F453-W467 HydrophobicContact CE2-CE3 3.69Å; F453-W467 HydrophobicContact CE2-CZ3 4.33Å; F453-W467 HydrophobicContact CZ-CB 4.34Å; F453-W467 AromaticContact CZ-CD2 3.83Å; F453-W467 HydrophobicContact CZ-CD2 3.83Å; F453-W467 AromaticContact CZ-CE3 3.18Å; F453-W467 HydrophobicContact CZ-CE3 3.18Å; F453-W467 HydrophobicContact CZ-CG 4.34Å; F453-W467 AromaticContact CZ-CZ3 3.69Å; F453-W467 HydrophobicContact CZ-CZ3 3.69Å; F453-W467 VanDerWaalsContact O-CB 3.28Å; F453-W467 WeakPolarHBondContact O-CB 3.42Å; F453-W467 PolarHBondContact O-N 3.45Å
454C95.4Very high94.2Very high5 Ų564 Ų643%0.03433%0.328CS..Hα-helixtrans-129.8-12.3-167.871.60000117.1L375 A378 L450 D451 S465 W467L375-C454 HydrophobicContact CD1-CB 3.88Å; A378-C454 HydrophobicContact CB-CB 3.57Å; L450-C454 PolarHBondContact O-N 3.19Å; L450-C454 PolarHBondContact O-SG 3.45Å; D451-C454 PolarHBondContact O-N 3.35Å; C454-S465 VanDerWaalsContact C-CB 3.42Å; C454-S465 WeakPolarHBondContact O-CB 3.4Å; C454-S465 PolarHBondContact O-OG 2.95Å; C454-W467 HydrophobicContact CB-CB 4.02Å
455K92.4Very high94.5Very high82 Ų8257.5 Ų57.536%0.35730%0.298SS..THydrogen-bonded Turntrans-110.9-51-176.1-55-164.3-167.4176.20113.4E335 D451E335-K455 VanDerWaalsContact OE1-CE 3.28Å; E335-K455 WeakPolarHBondContact OE1-CE 3.41Å; E335-K455 IonicContact OE1-NZ 3.47Å; E335-K455 PolarHBondContact OE1-NZ 3.39Å; E335-K455 VanDerWaalsContact OE2-CE 3.29Å; E335-K455 WeakPolarHBondContact OE2-CE 3.3Å; E335-K455 IonicContact OE2-NZ 2.85Å; E335-K455 PolarHBondContact OE2-NZ 2.89Å; D451-K455 HydrophobicContact CB-CB 4.34Å; D451-K455 CarbonylContact O-C 3.51Å; D451-K455 PolarHBondContact O-N 3.13Å; D451-K455 WeakPolarHBondContact OD1-CD 3.46Å; D451-K455 WeakPolarHBondContact OD1-CE 3.46Å; D451-K455 IonicContact OD1-NZ 3.92Å
456N94.8Very high94.9Very high77 Ų7754 Ų5441%0.41228%0.276SS..SBendtrans-65.1137.7-176.4-67.9-13.6000110.3D451 M458 S465D451-N456 WeakPolarHBondContact O-CB 3.48Å; D451-N456 PolarHBondContact O-N 3.29Å; N456-M458 PolarHBondContact O-N 2.97Å; N456-S465 VanDerWaalsContact O-CA 3.25Å; N456-S465 WeakPolarHBondContact O-CA 3.46Å; N456-S465 VanDerWaalsContact O-CB 3.31Å; N456-S465 WeakPolarHBondContact O-CB 3.44Å
457P95.1Very high95Very high72 Ų7253.8 Ų53.847%0.46827%0.274SS..BIsolated β-bridgetrans-55.7138.2170.6-25.434.6000111.3R459 L462 F464P457-R459 WeakPolarHBondContact CB-O 3.38Å; P457-R459 PolarHBondContact O-N 2.73Å; P457-L462 WeakPolarHBondContact CB-O 3.16Å; P457-F464 WeakPolarHBondContact CA-O 3.24Å
458M94.1Very high95Very high21 Ų2150.6 Ų50.610%0.10326%0.26CS..SBendtrans-62.4-28.5-179.5-172176.567.600112.1K433 N456 L462 F464 W469 D517K433-M458 HydrophobicContact CB-CG 4.42Å; K433-M458 HydrophobicContact CB-SD 4Å; K433-M458 HydrophobicContact CD-SD 4.31Å; K433-M458 HydrophobicContact CG-SD 4.26Å; N456-M458 PolarHBondContact O-N 2.97Å; M458-L462 HydrophobicContact CB-CD1 4.37Å; M458-L462 HydrophobicContact CE-CD1 3.89Å; M458-F464 HydrophobicContact CE-CE2 4.26Å; M458-F464 PolarHBondContact N-O 3.06Å; M458-W469 HydrophobicContact CE-CD2 4.4Å; M458-W469 HydrophobicContact CE-CG 4.31Å; M458-W469 HydrophobicContact SD-CD2 4.05Å; M458-W469 HydrophobicContact SD-CE3 4.02Å; M458-W469 HydrophobicContact SD-CG 4.31Å; M458-D517 HydrophobicContact CE-CB 4.14Å; M458-D517 VanDerWaalsContact CE-O 3.28Å; M458-D517 WeakPolarHBondContact CE-O 3.33Å
459R91.8Very high94.9Very high79 Ų7950.6 Ų50.630%0.29826%0.26SS..SBendtrans-146.3161.3172.2-58-169.1-49.6-133-6.2109.5P457 D461 L462 S518P457-R459 WeakPolarHBondContact CB-O 3.38Å; P457-R459 PolarHBondContact O-N 2.73Å; R459-D461 WeakPolarHBondContact CB-OD1 3.2Å; R459-D461 IonicContact CZ-OD1 3.34Å; R459-D461 IonicContact CZ-OD2 2.84Å; R459-D461 IonicContact NE-OD1 3.44Å; R459-D461 PolarHBondContact NE-OD1 3.31Å; R459-D461 IonicContact NE-OD2 2.67Å; R459-D461 IonicContact NH2-OD1 2.76Å; R459-D461 IonicContact NH2-OD2 3.13Å; R459-D461 PolarHBondContact NH2-OD2 3.41Å; R459-D461 PolarHBondContact O-N 2.7Å; R459-L462 HydrophobicContact CB-CD1 3.99Å; R459-L462 HydrophobicContact CB-CG 4.17Å; R459-L462 HydrophobicContact CG-CD1 4.12Å; R459-L462 PolarHBondContact O-N 2.6Å; R459-L462 VanDerWaalsContact O-N 3.14Å; R459-S518 PolarHBondContact NH2-OG 3.4Å
460Q88.9Confident94.9Very high205 Ų20548.1 Ų48.196%0.95825%0.245SC*.THydrogen-bonded Turntrans-63.3-25.3-178.7-65.3-179.8-3.800114L462Q460-L462 VanDerWaalsContact C-N 3.32Å
461D92.5Very high94.9Very high108 Ų10847.9 Ų47.958%0.57824%0.243SC*.THydrogen-bonded Turntrans-86.1-0.117964.7-54.7000113.8R459R459-D461 WeakPolarHBondContact CB-OD1 3.2Å; R459-D461 IonicContact CZ-OD1 3.34Å; R459-D461 IonicContact CZ-OD2 2.84Å; R459-D461 IonicContact NE-OD1 3.44Å; R459-D461 PolarHBondContact NE-OD1 3.31Å; R459-D461 IonicContact NE-OD2 2.67Å; R459-D461 IonicContact NH2-OD1 2.76Å; R459-D461 IonicContact NH2-OD2 3.13Å; R459-D461 PolarHBondContact NH2-OD2 3.41Å; R459-D461 PolarHBondContact O-N 2.7Å
462L93.9Very high94.9Very high22 Ų2246.9 Ų46.912%0.11524%0.235CC..  trans-115155-174.2-58.4176.3000111.3P457 M458 R459 Q460 F464 D517P457-L462 WeakPolarHBondContact CB-O 3.16Å; M458-L462 HydrophobicContact CB-CD1 4.37Å; M458-L462 HydrophobicContact CE-CD1 3.89Å; R459-L462 HydrophobicContact CB-CD1 3.99Å; R459-L462 HydrophobicContact CB-CG 4.17Å; R459-L462 HydrophobicContact CG-CD1 4.12Å; R459-L462 PolarHBondContact O-N 2.6Å; R459-L462 VanDerWaalsContact O-N 3.14Å; Q460-L462 VanDerWaalsContact C-N 3.32Å; L462-F464 HydrophobicContact CB-CE1 4.34Å; L462-F464 HydrophobicContact CB-CZ 4.38Å; L462-F464 HydrophobicContact CD1-CE1 4.47Å; L462-F464 HydrophobicContact CD1-CE2 3.83Å; L462-F464 HydrophobicContact CD1-CZ 3.74Å; L462-F464 HydrophobicContact CD2-CE1 3.93Å; L462-F464 HydrophobicContact CD2-CZ 3.85Å; L462-F464 HydrophobicContact CG-CE1 4.47Å; L462-F464 HydrophobicContact CG-CZ 4.2Å; L462-D517 WeakPolarHBondContact CD1-O 3.49Å
463D93.5Very high95Very high150 Ų15044.4 Ų44.480%0.80222%0.223SC*.SBendtrans-107.57.9177.266.2-19.9000112.9
464F94.6Very high95Very high17 Ų1744.5 Ų44.58%0.07522%0.224CC..SBendtrans-126.7148.6-178.658.8-102.5000113.2P457 M458 L462 W469 L520P457-F464 WeakPolarHBondContact CA-O 3.24Å; M458-F464 HydrophobicContact CE-CE2 4.26Å; M458-F464 PolarHBondContact N-O 3.06Å; L462-F464 HydrophobicContact CB-CE1 4.34Å; L462-F464 HydrophobicContact CB-CZ 4.38Å; L462-F464 HydrophobicContact CD1-CE1 4.47Å; L462-F464 HydrophobicContact CD1-CE2 3.83Å; L462-F464 HydrophobicContact CD1-CZ 3.74Å; L462-F464 HydrophobicContact CD2-CE1 3.93Å; L462-F464 HydrophobicContact CD2-CZ 3.85Å; L462-F464 HydrophobicContact CG-CE1 4.47Å; L462-F464 HydrophobicContact CG-CZ 4.2Å; F464-W469 HydrophobicContact CD2-CB 3.94Å; F464-W469 HydrophobicContact CE2-CB 3.86Å; F464-W469 HydrophobicContact CE2-CG 4.36Å; F464-L520 HydrophobicContact CB-CD1 4.26Å; F464-L520 HydrophobicContact CB-CD2 3.94Å; F464-L520 HydrophobicContact CB-CG 4.37Å; F464-L520 HydrophobicContact CD1-CD1 4.21Å; F464-L520 HydrophobicContact CD1-CD2 3.95Å; F464-L520 HydrophobicContact CD1-CG 3.8Å; F464-L520 HydrophobicContact CD2-CD2 3.62Å; F464-L520 HydrophobicContact CD2-CG 4.37Å; F464-L520 HydrophobicContact CE1-CD2 4.36Å; F464-L520 HydrophobicContact CE1-CG 4.13Å; F464-L520 HydrophobicContact CE2-CD2 4.06Å; F464-L520 HydrophobicContact CG-CD1 4.31Å; F464-L520 HydrophobicContact CG-CD2 3.56Å; F464-L520 HydrophobicContact CG-CG 3.93Å; F464-L520 HydrophobicContact CZ-CD2 4.41Å
465S95.6Very high95Very high6 Ų645.7 Ų45.74%0.04223%0.231CC..BIsolated β-bridgetrans-80.3164.5179.6620000113.7C454 N456 W467 S468 W469C454-S465 VanDerWaalsContact C-CB 3.42Å; C454-S465 WeakPolarHBondContact O-CB 3.4Å; C454-S465 PolarHBondContact O-OG 2.95Å; N456-S465 VanDerWaalsContact O-CA 3.25Å; N456-S465 WeakPolarHBondContact O-CA 3.46Å; N456-S465 VanDerWaalsContact O-CB 3.31Å; N456-S465 WeakPolarHBondContact O-CB 3.44Å; S465-W467 VanDerWaalsContact C-N 3.31Å; S465-W467 PolarHBondContact O-N 2.63Å; S465-S468 PolarHBondContact O-N 3Å; S465-S468 PolarHBondContact OG-N 2.9Å; S465-S468 PolarHBondContact OG-OG 3.29Å; S465-S468 VanDerWaalsContact OG-OG 3.05Å; S465-W469 PolarHBondContact O-N 3.2Å; S465-W469 VanDerWaalsContact O-N 3.1Å
466F97.5Very high95.2Very high1 Ų141.9 Ų41.90%0.00421%0.214CC..Hα-helixtrans-50.1-50.6172.7166.5-96.9000111.7L408 L430 K433 V434 F453 S468 W469 F470L408-F466 HydrophobicContact CD1-CE1 4.32Å; L408-F466 HydrophobicContact CD1-CZ 4.23Å; L430-F466 HydrophobicContact CB-CE2 4.25Å; L430-F466 HydrophobicContact CB-CZ 4.25Å; L430-F466 HydrophobicContact CD2-CE2 3.86Å; L430-F466 HydrophobicContact CD2-CZ 4.07Å; K433-F466 HydrophobicContact CB-CD2 3.94Å; K433-F466 HydrophobicContact CB-CE2 4.13Å; V434-F466 HydrophobicContact CB-CD1 4.25Å; V434-F466 HydrophobicContact CB-CD2 4.07Å; V434-F466 HydrophobicContact CB-CE1 4.46Å; V434-F466 HydrophobicContact CB-CE2 4.26Å; V434-F466 HydrophobicContact CB-CG 4.05Å; V434-F466 HydrophobicContact CB-CZ 4.46Å; V434-F466 HydrophobicContact CG2-CB 4.36Å; V434-F466 HydrophobicContact CG2-CD1 3.97Å; V434-F466 HydrophobicContact CG2-CE1 4.44Å; V434-F466 HydrophobicContact CG2-CG 4.04Å; F453-F466 AromaticContact CD2-CD1 3.77Å; F453-F466 HydrophobicContact CD2-CD1 3.77Å; F453-F466 AromaticContact CD2-CE1 3.88Å; F453-F466 HydrophobicContact CD2-CE1 3.88Å; F453-F466 HydrophobicContact CE2-CD1 4.06Å; F453-F466 AromaticContact CE2-CE1 3.85Å; F453-F466 HydrophobicContact CE2-CE1 3.85Å; F466-S468 PolarHBondContact O-N 3.05Å; F466-W469 HydrophobicContact CD2-CE3 4.04Å; F466-W469 HydrophobicContact CD2-CZ3 4.05Å; F466-W469 HydrophobicContact CE2-CE3 4.18Å; F466-W469 AromaticContact CE2-CZ3 3.79Å; F466-W469 HydrophobicContact CE2-CZ3 3.79Å; F466-W469 WeakPolarHBondContact O-CB 3.27Å; F466-W469 PolarHBondContact O-N 3.04Å; F466-F470 WeakPolarHBondContact O-CB 3.35Å; F466-F470 PolarHBondContact O-N 3.23Å
467W97.3Very high95.4Very high2 Ų238.2 Ų38.21%0.00820%0.195CC..Hα-helixtrans-61.5-42.2179.9175.2-100.9000112.9R374 H377 A378 L381 L408 K411 F453 C454 S465 W469 F470 F471R374-W467 PolarHBondContact O-NE1 3.01Å; H377-W467 HydrophobicContact CB-CZ2 3.92Å; A378-W467 VanDerWaalsContact CA-CE2 3.49Å; A378-W467 HydrophobicContact CB-CB 4.19Å; A378-W467 HydrophobicContact CB-CD2 3.73Å; A378-W467 HydrophobicContact CB-CG 3.43Å; A378-W467 VanDerWaalsContact CB-CG 3.43Å; A378-W467 HydrophobicContact CB-CZ2 4.45Å; A378-W467 VanDerWaalsContact CB-NE1 3.31Å; L381-W467 HydrophobicContact CB-CH2 4.38Å; L381-W467 HydrophobicContact CD2-CE3 4.45Å; L381-W467 HydrophobicContact CD2-CH2 3.74Å; L381-W467 HydrophobicContact CD2-CZ3 3.48Å; L381-W467 VanDerWaalsContact CD2-CZ3 3.48Å; L408-W467 HydrophobicContact CD2-CE3 4.5Å; L408-W467 HydrophobicContact CD2-CZ3 4.03Å; K411-W467 HydrophobicContact CG-CH2 3.93Å; F453-W467 HydrophobicContact CE1-CB 4.49Å; F453-W467 HydrophobicContact CE1-CD2 4.3Å; F453-W467 HydrophobicContact CE1-CE3 4.07Å; F453-W467 HydrophobicContact CE2-CB 4.49Å; F453-W467 AromaticContact CE2-CE3 3.69Å; F453-W467 HydrophobicContact CE2-CE3 3.69Å; F453-W467 HydrophobicContact CE2-CZ3 4.33Å; F453-W467 HydrophobicContact CZ-CB 4.34Å; F453-W467 AromaticContact CZ-CD2 3.83Å; F453-W467 HydrophobicContact CZ-CD2 3.83Å; F453-W467 AromaticContact CZ-CE3 3.18Å; F453-W467 HydrophobicContact CZ-CE3 3.18Å; F453-W467 HydrophobicContact CZ-CG 4.34Å; F453-W467 AromaticContact CZ-CZ3 3.69Å; F453-W467 HydrophobicContact CZ-CZ3 3.69Å; F453-W467 VanDerWaalsContact O-CB 3.28Å; F453-W467 WeakPolarHBondContact O-CB 3.42Å; F453-W467 PolarHBondContact O-N 3.45Å; C454-W467 HydrophobicContact CB-CB 4.02Å; S465-W467 VanDerWaalsContact C-N 3.31Å; S465-W467 PolarHBondContact O-N 2.63Å; W467-W469 VanDerWaalsContact C-N 3.28Å; W467-W469 PolarHBondContact O-N 3.36Å; W467-F470 HydrophobicContact CE3-CD1 4.16Å; W467-F470 AromaticContact CZ3-CD1 4Å; W467-F470 HydrophobicContact CZ3-CD1 4Å; W467-F470 HydrophobicContact CZ3-CE1 4.34Å; W467-F470 PolarHBondContact O-N 2.79Å; W467-F471 AromaticContact CZ2-CD2 3.92Å; W467-F471 HydrophobicContact CZ2-CD2 3.92Å; W467-F471 WeakPolarHBondContact O-CB 3.47Å; W467-F471 PolarHBondContact O-N 3.45Å
468S95.7Very high95.4Very high19 Ų1940.5 Ų40.513%0.13320%0.198CC..Hα-helixtrans-60.5-42.8179.9-62.90000111.1S465 F466 E472S465-S468 PolarHBondContact O-N 3Å; S465-S468 PolarHBondContact OG-N 2.9Å; S465-S468 PolarHBondContact OG-OG 3.29Å; S465-S468 VanDerWaalsContact OG-OG 3.05Å; F466-S468 PolarHBondContact O-N 3.05Å; S468-E472 WeakPolarHBondContact O-CG 3.43Å; S468-E472 PolarHBondContact O-N 2.78Å
469W96.9Very high95.5Very high0 Ų045.1 Ų45.10%022%0.219CC..Hα-helixtrans-62.1-51.3174.2166.180000112.4Y429 L430 K433 M458 F464 S465 F466 W467 F471 E472 I473 F493 S516 L520Y429-W469 HydrophobicContact CD1-CH2 4.39Å; Y429-W469 AromaticContact CE1-CH2 3.86Å; Y429-W469 HydrophobicContact CE1-CH2 3.86Å; Y429-W469 HydrophobicContact CE1-CZ2 4.14Å; L430-W469 HydrophobicContact CD2-CH2 3.67Å; L430-W469 HydrophobicContact CD2-CZ3 3.46Å; L430-W469 VanDerWaalsContact CD2-CZ3 3.46Å; K433-W469 HydrophobicContact CG-CH2 4.41Å; M458-W469 HydrophobicContact CE-CD2 4.4Å; M458-W469 HydrophobicContact CE-CG 4.31Å; M458-W469 HydrophobicContact SD-CD2 4.05Å; M458-W469 HydrophobicContact SD-CE3 4.02Å; M458-W469 HydrophobicContact SD-CG 4.31Å; F464-W469 HydrophobicContact CD2-CB 3.94Å; F464-W469 HydrophobicContact CE2-CB 3.86Å; F464-W469 HydrophobicContact CE2-CG 4.36Å; S465-W469 PolarHBondContact O-N 3.2Å; S465-W469 VanDerWaalsContact O-N 3.1Å; F466-W469 HydrophobicContact CD2-CE3 4.04Å; F466-W469 HydrophobicContact CD2-CZ3 4.05Å; F466-W469 HydrophobicContact CE2-CE3 4.18Å; F466-W469 AromaticContact CE2-CZ3 3.79Å; F466-W469 HydrophobicContact CE2-CZ3 3.79Å; F466-W469 WeakPolarHBondContact O-CB 3.27Å; F466-W469 PolarHBondContact O-N 3.04Å; W467-W469 VanDerWaalsContact C-N 3.28Å; W467-W469 PolarHBondContact O-N 3.36Å; W469-F471 PolarHBondContact O-N 3Å; W469-E472 PolarHBondContact O-N 3.3Å; W469-I473 HydrophobicContact CD2-CD1 3.87Å; W469-I473 HydrophobicContact CE3-CD1 4.48Å; W469-I473 HydrophobicContact CG-CD1 4.35Å; W469-I473 HydrophobicContact CH2-CD1 4.1Å; W469-I473 HydrophobicContact CZ2-CD1 3.43Å; W469-I473 VanDerWaalsContact CZ2-CD1 3.43Å; W469-I473 WeakPolarHBondContact O-CG1 3.46Å; W469-I473 PolarHBondContact O-N 3.14Å; W469-I473 VanDerWaalsContact O-N 3.14Å; W469-F493 AromaticContact CH2-CD1 3.91Å; W469-F493 HydrophobicContact CH2-CD1 3.91Å; W469-F493 AromaticContact CH2-CE1 3.96Å; W469-F493 HydrophobicContact CH2-CE1 3.96Å; W469-F493 HydrophobicContact CZ2-CD1 4.43Å; W469-F493 HydrophobicContact CZ2-CE1 4.45Å; W469-S516 PolarHBondContact NE1-O 2.82Å; W469-L520 HydrophobicContact CB-CD2 4.2Å
470F97.7Very high95.6Very high1 Ų145.1 Ų45.10%0.00422%0.221CC..Hα-helixtrans-61.5-44.1-180-179.4-99.3000112L408 F412 L422 L430 F466 W467 E472 I473 T474 F493L408-F470 HydrophobicContact CD2-CD1 4.1Å; L408-F470 HydrophobicContact CD2-CE1 3.71Å; L408-F470 HydrophobicContact CD2-CZ 4.07Å; F412-F470 HydrophobicContact CB-CZ 4.12Å; F412-F470 HydrophobicContact CD2-CE2 4.12Å; F412-F470 AromaticContact CD2-CZ 3.77Å; F412-F470 HydrophobicContact CD2-CZ 3.77Å; F412-F470 HydrophobicContact CG-CZ 4.43Å; L422-F470 HydrophobicContact CD1-CE2 4.31Å; L422-F470 HydrophobicContact CD1-CZ 4.2Å; L430-F470 HydrophobicContact CD1-CD2 4.36Å; L430-F470 HydrophobicContact CD1-CE2 3.87Å; L430-F470 HydrophobicContact CD2-CD2 3.85Å; L430-F470 HydrophobicContact CD2-CE2 4.19Å; F466-F470 WeakPolarHBondContact O-CB 3.35Å; F466-F470 PolarHBondContact O-N 3.23Å; W467-F470 HydrophobicContact CE3-CD1 4.16Å; W467-F470 AromaticContact CZ3-CD1 4Å; W467-F470 HydrophobicContact CZ3-CD1 4Å; W467-F470 HydrophobicContact CZ3-CE1 4.34Å; W467-F470 PolarHBondContact O-N 2.79Å; F470-E472 PolarHBondContact O-N 2.83Å; F470-I473 WeakPolarHBondContact O-CB 3.48Å; F470-I473 PolarHBondContact O-N 3.14Å; F470-T474 HydrophobicContact CD1-CG2 4.29Å; F470-T474 HydrophobicContact CE1-CG2 3.93Å; F470-T474 HydrophobicContact CZ-CG2 4.19Å; F470-T474 WeakPolarHBondContact O-CG2 3.29Å; F470-T474 PolarHBondContact O-N 3.22Å; F470-F493 HydrophobicContact CD2-CE1 4.33Å; F470-F493 HydrophobicContact CD2-CZ 4.38Å; F470-F493 HydrophobicContact CE2-CE1 4.45Å; F470-F493 HydrophobicContact CE2-CZ 4.12Å
471F96.1Very high96Very high17 Ų1735.5 Ų35.58%0.07518%0.176CC..Hα-helixtrans-58-48.6178.4-177.7-85.8000111.3R374 H377 W467 W469 I473 T474 V475R374-F471 HydrophobicContact CG-CD1 3.58Å; R374-F471 HydrophobicContact CG-CE1 3.8Å; R374-F471 HydrophobicContact CG-CG 4.15Å; H377-F471 HydrophobicContact CB-CE2 4.13Å; H377-F471 AromaticContact CD2-CE2 3.88Å; W467-F471 AromaticContact CZ2-CD2 3.92Å; W467-F471 HydrophobicContact CZ2-CD2 3.92Å; W467-F471 WeakPolarHBondContact O-CB 3.47Å; W467-F471 PolarHBondContact O-N 3.45Å; W469-F471 PolarHBondContact O-N 3Å; F471-I473 VanDerWaalsContact C-N 3.29Å; F471-I473 PolarHBondContact O-N 3.33Å; F471-T474 PolarHBondContact O-N 3.46Å; F471-T474 PolarHBondContact O-OG1 2.76Å; F471-V475 HydrophobicContact CD1-CG2 3.92Å; F471-V475 HydrophobicContact CE1-CG2 3.6Å; F471-V475 HydrophobicContact CZ-CG2 4.24Å; F471-V475 WeakPolarHBondContact O-CG2 3.42Å; F471-V475 PolarHBondContact O-N 3.49Å
472E95.9Very high96.2Very high48 Ų4833.1 Ų33.122%0.22416%0.163CC..Hα-helixtrans-67-30.2-179.5-68.8-68.5169.900112.7R374 S468 W469 F470 V475 L476 L520 G521R374-E472 WeakPolarHBondContact CD-OE1 3.49Å; R374-E472 IonicContact CZ-OE1 3.79Å; R374-E472 IonicContact NE-OE1 3.16Å; R374-E472 IonicContact NH1-OE1 3.97Å; R374-E472 PolarHBondContact NH1-OE1 3.36Å; S468-E472 WeakPolarHBondContact O-CG 3.43Å; S468-E472 PolarHBondContact O-N 2.78Å; W469-E472 PolarHBondContact O-N 3.3Å; F470-E472 PolarHBondContact O-N 2.83Å; E472-V475 PolarHBondContact O-N 2.91Å; E472-L476 WeakPolarHBondContact O-CB 3.28Å; E472-L476 PolarHBondContact O-N 3.43Å; E472-L520 HydrophobicContact CB-CB 4.26Å; E472-L520 HydrophobicContact CG-CB 4.12Å; E472-L520 HydrophobicContact CG-CD2 4.42Å; E472-G521 VanDerWaalsContact CB-N 3.33Å
473I97.7Very high96.2Very high0 Ų034.4 Ų34.40%017%0.167CC..Hα-helixtrans-61.9-45.9168.5-72168.2000110.7W469 F470 F471 V475 L476 I477 F493 F515W469-I473 HydrophobicContact CD2-CD1 3.87Å; W469-I473 HydrophobicContact CE3-CD1 4.48Å; W469-I473 HydrophobicContact CG-CD1 4.35Å; W469-I473 HydrophobicContact CH2-CD1 4.1Å; W469-I473 HydrophobicContact CZ2-CD1 3.43Å; W469-I473 VanDerWaalsContact CZ2-CD1 3.43Å; W469-I473 WeakPolarHBondContact O-CG1 3.46Å; W469-I473 PolarHBondContact O-N 3.14Å; W469-I473 VanDerWaalsContact O-N 3.14Å; F470-I473 WeakPolarHBondContact O-CB 3.48Å; F470-I473 PolarHBondContact O-N 3.14Å; F471-I473 VanDerWaalsContact C-N 3.29Å; F471-I473 PolarHBondContact O-N 3.33Å; I473-V475 VanDerWaalsContact C-N 3.29Å; I473-V475 PolarHBondContact O-N 3.45Å; I473-L476 WeakPolarHBondContact O-CB 3.37Å; I473-L476 PolarHBondContact O-N 3.38Å; I473-I477 HydrophobicContact CG2-CD1 3.88Å; I473-I477 HydrophobicContact CG2-CG1 4.38Å; I473-I477 WeakPolarHBondContact O-CG1 3.45Å; I473-I477 PolarHBondContact O-N 3.25Å; I473-F493 HydrophobicContact CD1-CE1 4.11Å; I473-F493 HydrophobicContact CG2-CE1 4.33Å; I473-F493 HydrophobicContact CG2-CZ 4.01Å; I473-F515 HydrophobicContact CD1-CB 3.56Å; I473-F515 HydrophobicContact CD1-CD1 4.47Å; I473-F515 HydrophobicContact CD1-CD2 4.13Å; I473-F515 HydrophobicContact CD1-CG 3.81Å; I473-F515 HydrophobicContact CG1-CB 4.06Å; I473-F515 HydrophobicContact CG1-CD1 4.14Å; I473-F515 HydrophobicContact CG1-CD2 4.49Å; I473-F515 HydrophobicContact CG1-CG 3.98Å; I473-F515 HydrophobicContact CG2-CD1 3.9Å; I473-F515 HydrophobicContact CG2-CD2 3.68Å; I473-F515 HydrophobicContact CG2-CE1 3.84Å; I473-F515 HydrophobicContact CG2-CE2 3.6Å; I473-F515 HydrophobicContact CG2-CG 3.84Å; I473-F515 HydrophobicContact CG2-CZ 3.7Å
474T97.3Very high96.3Very high3 Ų328 Ų282%0.01813%0.132CC..Hα-helixtrans-63.7-35.8178.5670000112.5F412 Q415 T416 F470 F471 I477 K478F412-T474 HydrophobicContact CD2-CG2 3.76Å; F412-T474 HydrophobicContact CE2-CG2 4.19Å; Q415-T474 VanDerWaalsContact CG-OG1 3.28Å; Q415-T474 WeakPolarHBondContact CG-OG1 3.25Å; T416-T474 HydrophobicContact CG2-CG2 4.1Å; F470-T474 HydrophobicContact CD1-CG2 4.29Å; F470-T474 HydrophobicContact CE1-CG2 3.93Å; F470-T474 HydrophobicContact CZ-CG2 4.19Å; F470-T474 WeakPolarHBondContact O-CG2 3.29Å; F470-T474 PolarHBondContact O-N 3.22Å; F471-T474 PolarHBondContact O-N 3.46Å; F471-T474 PolarHBondContact O-OG1 2.76Å; T474-I477 PolarHBondContact O-N 3.01Å; T474-K478 WeakPolarHBondContact O-CB 3.36Å; T474-K478 PolarHBondContact O-N 3.23Å
475V95.7Very high96.4Very high29 Ų2927.1 Ų27.118%0.17613%0.128CC..Hα-helixtrans-64-47173.7174.20000110.5F471 E472 I473 I477 K478 Q479F471-V475 HydrophobicContact CD1-CG2 3.92Å; F471-V475 HydrophobicContact CE1-CG2 3.6Å; F471-V475 HydrophobicContact CZ-CG2 4.24Å; F471-V475 WeakPolarHBondContact O-CG2 3.42Å; F471-V475 PolarHBondContact O-N 3.49Å; E472-V475 PolarHBondContact O-N 2.91Å; I473-V475 VanDerWaalsContact C-N 3.29Å; I473-V475 PolarHBondContact O-N 3.45Å; V475-I477 VanDerWaalsContact C-N 3.34Å; V475-I477 PolarHBondContact O-N 2.83Å; V475-K478 PolarHBondContact O-N 2.96Å; V475-Q479 HydrophobicContact CG1-CG 4.34Å; V475-Q479 WeakPolarHBondContact O-CB 3.33Å; V475-Q479 WeakPolarHBondContact O-CG 3.4Å; V475-Q479 PolarHBondContact O-N 2.86Å
476L97.2Very high96.5Very high2 Ų229 Ų291%0.0114%0.138CC..Hα-helixtrans-57.9-46.2177-177.670.8000111.8E472 I473 Q479 K480 L481 F515 G521 L523 A546 L549E472-L476 WeakPolarHBondContact O-CB 3.28Å; E472-L476 PolarHBondContact O-N 3.43Å; I473-L476 WeakPolarHBondContact O-CB 3.37Å; I473-L476 PolarHBondContact O-N 3.38Å; L476-Q479 PolarHBondContact O-N 3.06Å; L476-K480 PolarHBondContact O-N 3.27Å; L476-L481 HydrophobicContact CD2-CD1 3.62Å; L476-L481 HydrophobicContact CG-CD1 3.68Å; L476-L481 HydrophobicContact CG-CG 4.24Å; L476-L481 PolarHBondContact O-N 2.81Å; L476-F515 HydrophobicContact CD2-CD1 4.48Å; L476-F515 HydrophobicContact CD2-CE1 4.34Å; L476-G521 VanDerWaalsContact CD2-O 3.31Å; L476-G521 WeakPolarHBondContact CD2-O 3.36Å; L476-L523 HydrophobicContact CD2-CB 4.02Å; L476-A546 HydrophobicContact CD1-CB 3.88Å; L476-L549 HydrophobicContact CD1-CD1 3.95Å
477I97.9Very high96.4Very high0 Ų032.2 Ų32.20%015%0.153CC..Iπ-helixtrans-59.8-54.6177.8-66.5170.1000109.9F412 T416 I473 T474 V475 Q479 L481 L482 W485 F515F412-I477 HydrophobicContact CE2-CD1 3.68Å; F412-I477 HydrophobicContact CZ-CD1 3.56Å; T416-I477 HydrophobicContact CG2-CB 4.01Å; T416-I477 HydrophobicContact CG2-CD1 4.42Å; T416-I477 HydrophobicContact CG2-CG2 3.95Å; I473-I477 HydrophobicContact CG2-CD1 3.88Å; I473-I477 HydrophobicContact CG2-CG1 4.38Å; I473-I477 WeakPolarHBondContact O-CG1 3.45Å; I473-I477 PolarHBondContact O-N 3.25Å; T474-I477 PolarHBondContact O-N 3.01Å; V475-I477 VanDerWaalsContact C-N 3.34Å; V475-I477 PolarHBondContact O-N 2.83Å; I477-Q479 VanDerWaalsContact C-N 3.28Å; I477-Q479 PolarHBondContact O-N 3.2Å; I477-L481 CarbonylContact O-C 3.43Å; I477-L481 PolarHBondContact O-N 3.02Å; I477-L482 HydrophobicContact CG2-CD1 4.4Å; I477-L482 WeakPolarHBondContact O-CA 3.31Å; I477-L482 PolarHBondContact O-N 3.15Å; I477-W485 HydrophobicContact CD1-CD2 4.22Å; I477-W485 HydrophobicContact CD1-CE3 4.11Å; I477-W485 HydrophobicContact CG2-CB 3.99Å; I477-W485 HydrophobicContact CG2-CG 4.14Å; I477-F515 HydrophobicContact CD1-CE1 4.44Å; I477-F515 HydrophobicContact CD1-CE2 4.12Å; I477-F515 HydrophobicContact CD1-CZ 3.59Å; I477-F515 HydrophobicContact CG1-CE1 4.21Å; I477-F515 HydrophobicContact CG1-CZ 3.77Å
478K96.8Very high96.4Very high121 Ų12132.2 Ų32.253%0.52615%0.154SC..Iπ-helixtrans-53-46.3-179.3-171.5-174.9-165.6154.20112.3Q415 T474 V475Q415-K478 VanDerWaalsContact O-CD 3.31Å; Q415-K478 WeakPolarHBondContact O-CD 3.38Å; Q415-K478 PolarHBondContact O-NZ 3.31Å; T474-K478 WeakPolarHBondContact O-CB 3.36Å; T474-K478 PolarHBondContact O-N 3.23Å; V475-K478 PolarHBondContact O-N 2.96Å
479Q95.3Very high96.4Very high117 Ų11731.4 Ų31.455%0.54715%0.148SC..Iπ-helixtrans-82.1-37.9-170.6-70179.1-6.200113.4V475 L476 I477V475-Q479 HydrophobicContact CG1-CG 4.34Å; V475-Q479 WeakPolarHBondContact O-CB 3.33Å; V475-Q479 WeakPolarHBondContact O-CG 3.4Å; V475-Q479 PolarHBondContact O-N 2.86Å; L476-Q479 PolarHBondContact O-N 3.06Å; I477-Q479 VanDerWaalsContact C-N 3.28Å; I477-Q479 PolarHBondContact O-N 3.2Å
480K94.8Very high96.4Very high79 Ų7931.4 Ų31.434%0.34315%0.148SC..Iπ-helixtrans-130.5-23.3-165.2-55.4-63.7-179.3-177.50114.6L476 A546 L549L476-K480 PolarHBondContact O-N 3.27Å; K480-A546 WeakPolarHBondContact CE-O 3.42Å; K480-A546 HydrophobicContact CG-CB 4.44Å; K480-L549 HydrophobicContact CB-CB 4.36Å; K480-L549 HydrophobicContact CB-CD1 3.9Å; K480-L549 HydrophobicContact CD-CB 4.35Å; K480-L549 HydrophobicContact CG-CB 4.11Å; K480-L549 HydrophobicContact CG-CD1 4.36Å
481L95.9Very high96.4Very high3 Ų332.8 Ų32.82%0.01615%0.153CC..Iπ-helixtrans-123.85.8-167.8-48.8174.4000115.1L476 I477 R483 L484 W485 I490 F515 L523 L549 L554L476-L481 HydrophobicContact CD2-CD1 3.62Å; L476-L481 HydrophobicContact CG-CD1 3.68Å; L476-L481 HydrophobicContact CG-CG 4.24Å; L476-L481 PolarHBondContact O-N 2.81Å; I477-L481 CarbonylContact O-C 3.43Å; I477-L481 PolarHBondContact O-N 3.02Å; L481-R483 PolarHBondContact O-N 3.15Å; L481-L484 HydrophobicContact CD2-CD1 4.19Å; L481-L484 PolarHBondContact O-N 3.37Å; L481-W485 PolarHBondContact O-N 3.15Å; L481-I490 HydrophobicContact CB-CD1 3.73Å; L481-I490 HydrophobicContact CD1-CD1 4.03Å; L481-I490 HydrophobicContact CG-CD1 4.33Å; L481-F515 HydrophobicContact CD1-CE1 4.27Å; L481-L523 HydrophobicContact CD1-CB 4.37Å; L481-L523 HydrophobicContact CD1-CD1 4.05Å; L481-L523 HydrophobicContact CD1-CD2 3.89Å; L481-L523 HydrophobicContact CD1-CG 4.33Å; L481-L523 HydrophobicContact CD2-CD2 4.06Å; L481-L549 HydrophobicContact CD2-CD1 3.88Å; L481-L549 HydrophobicContact CG-CD1 4.42Å; L481-L554 HydrophobicContact CD2-CD2 4.06Å
482L96.1Very high96.4Very high59 Ų5932 Ų3231%0.30915%0.15SC..Hα-helixtrans-52.9-49.6-171.7-177.160.8000112.9A418 I477 L484 W485 D486A418-L482 HydrophobicContact CB-CD1 3.98Å; I477-L482 HydrophobicContact CG2-CD1 4.4Å; I477-L482 WeakPolarHBondContact O-CA 3.31Å; I477-L482 PolarHBondContact O-N 3.15Å; L482-L484 PolarHBondContact O-N 3.12Å; L482-W485 PolarHBondContact O-N 3.08Å; L482-D486 PolarHBondContact O-N 3.02Å
483R94.9Very high96.5Very high49 Ų4929.7 Ų29.719%0.18514%0.139CC..Hα-helixtrans-58.2-48.5177.1-174.8-172.376.784.7-3.6112L481 W485 D486 E487 V581 I582L481-R483 PolarHBondContact O-N 3.15Å; R483-W485 VanDerWaalsContact C-N 3.28Å; R483-W485 PolarHBondContact O-N 2.92Å; R483-D486 PolarHBondContact O-N 3.15Å; R483-E487 WeakPolarHBondContact CD-OE1 3.45Å; R483-E487 HydrophobicContact CG-CG 4.38Å; R483-E487 WeakPolarHBondContact CG-OE1 3.11Å; R483-E487 IonicContact CZ-OE1 3.98Å; R483-E487 IonicContact CZ-OE2 2.73Å; R483-E487 IonicContact NH1-OE1 3.85Å; R483-E487 PolarHBondContact NH1-OE1 3.25Å; R483-E487 IonicContact NH1-OE2 3.27Å; R483-E487 PolarHBondContact NH1-OE2 3.29Å; R483-E487 WeakPolarHBondContact O-CB 3.32Å; R483-E487 WeakPolarHBondContact O-CG 3.17Å; R483-E487 PolarHBondContact O-N 3.04Å; R483-V581 PolarHBondContact NH2-O 3.11Å; R483-V581 VanDerWaalsContact NH2-O 3.15Å; R483-I582 PolarHBondContact NH2-O 3.24Å
484L95.8Very high96.5Very high14 Ų1430.1 Ų30.17%0.07314%0.141CC..Hα-helixtrans-66.5-34.2-177.1-59.9179.5000111.7L481 L482 G488 L489 I490 L554 I582L481-L484 HydrophobicContact CD2-CD1 4.19Å; L481-L484 PolarHBondContact O-N 3.37Å; L482-L484 PolarHBondContact O-N 3.12Å; L484-G488 PolarHBondContact O-N 3.38Å; L484-L489 HydrophobicContact CB-CB 4.46Å; L484-L489 HydrophobicContact CD2-CD1 3.59Å; L484-L489 WeakPolarHBondContact O-CB 3.19Å; L484-L489 PolarHBondContact O-N 2.87Å; L484-I490 HydrophobicContact CB-CD1 3.68Å; L484-I490 HydrophobicContact CB-CG1 3.95Å; L484-I490 PolarHBondContact O-N 3.03Å; L484-L554 HydrophobicContact CD1-CD2 3.63Å; L484-I582 HydrophobicContact CD2-CG2 4.46Å
485W97.3Very high96.4Very high0 Ų030.7 Ų30.70%015%0.145CC..Hα-helixtrans-65.2-51.2172.9176.5-93.1000111.2F412 R420 L422 I477 L481 L482 R483 G488 I490 F493 F515F412-W485 AromaticContact CE1-CE2 3.62Å; F412-W485 AromaticContact CE1-CZ2 3.64Å; F412-W485 HydrophobicContact CE1-CZ2 3.64Å; F412-W485 AromaticContact CE1-NE1 3.52Å; F412-W485 HydrophobicContact CE2-CZ2 4.48Å; F412-W485 HydrophobicContact CZ-CD2 4.14Å; F412-W485 AromaticContact CZ-CE2 3.49Å; F412-W485 VanDerWaalsContact CZ-CE2 3.49Å; F412-W485 HydrophobicContact CZ-CH2 4.02Å; F412-W485 AromaticContact CZ-CZ2 3.43Å; F412-W485 HydrophobicContact CZ-CZ2 3.43Å; F412-W485 VanDerWaalsContact CZ-CZ2 3.43Å; F412-W485 AromaticContact CZ-NE1 3.81Å; R420-W485 VanDerWaalsContact CD-O 3.3Å; R420-W485 WeakPolarHBondContact CD-O 3.41Å; R420-W485 PolarHBondContact NH1-O 3.18Å; R420-W485 PolarHBondContact O-NE1 2.77Å; L422-W485 HydrophobicContact CD2-CH2 4.28Å; L422-W485 HydrophobicContact CD2-CZ2 4.22Å; I477-W485 HydrophobicContact CD1-CD2 4.22Å; I477-W485 HydrophobicContact CD1-CE3 4.11Å; I477-W485 HydrophobicContact CG2-CB 3.99Å; I477-W485 HydrophobicContact CG2-CG 4.14Å; L481-W485 PolarHBondContact O-N 3.15Å; L482-W485 PolarHBondContact O-N 3.08Å; R483-W485 VanDerWaalsContact C-N 3.28Å; R483-W485 PolarHBondContact O-N 2.92Å; W485-G488 WeakPolarHBondContact O-CA 3.46Å; W485-G488 PolarHBondContact O-N 3.38Å; W485-I490 HydrophobicContact CE3-CB 4.25Å; W485-I490 HydrophobicContact CE3-CG2 4.11Å; W485-I490 HydrophobicContact CZ3-CG2 4.38Å; W485-F493 AromaticContact CH2-CD2 3.95Å; W485-F493 HydrophobicContact CH2-CD2 3.95Å; W485-F493 AromaticContact CH2-CE2 3.73Å; W485-F493 HydrophobicContact CH2-CE2 3.73Å; W485-F493 HydrophobicContact CZ3-CD2 4.35Å; W485-F493 HydrophobicContact CZ3-CE2 4.14Å; W485-F515 HydrophobicContact CE3-CE2 4.36Å; W485-F515 HydrophobicContact CE3-CZ 4.28Å; W485-F515 AromaticContact CZ3-CE2 3.92Å; W485-F515 HydrophobicContact CZ3-CE2 3.92Å; W485-F515 HydrophobicContact CZ3-CZ 4.29Å
486D96.7Very high96.2Very high45 Ų4537 Ų3724%0.24117%0.166CC..Hα-helixtrans-67.4-36.5-176.7-85.9-2.3000113.3A418 T419 R420 L482 R483 G488A418-D486 WeakPolarHBondContact CA-OD1 3.2Å; A418-D486 WeakPolarHBondContact CB-OD1 3.43Å; T419-D486 VanDerWaalsContact N-CG 3.32Å; T419-D486 PolarHBondContact N-OD1 2.97Å; T419-D486 PolarHBondContact N-OD2 2.83Å; T419-D486 PolarHBondContact OG1-OD1 3.39Å; T419-D486 PolarHBondContact OG1-OD2 2.79Å; R420-D486 PolarHBondContact N-OD1 2.73Å; L482-D486 PolarHBondContact O-N 3.02Å; R483-D486 PolarHBondContact O-N 3.15Å; D486-G488 PolarHBondContact O-N 3.34Å
487E95.4Very high96.1Very high68 Ų6841.9 Ų41.932%0.31819%0.188SC..THydrogen-bonded Turntrans-73.1-2.4172.2-70.4-178.5-15600113R483 L489 R584R483-E487 WeakPolarHBondContact CD-OE1 3.45Å; R483-E487 HydrophobicContact CG-CG 4.38Å; R483-E487 WeakPolarHBondContact CG-OE1 3.11Å; R483-E487 IonicContact CZ-OE1 3.98Å; R483-E487 IonicContact CZ-OE2 2.73Å; R483-E487 IonicContact NH1-OE1 3.85Å; R483-E487 PolarHBondContact NH1-OE1 3.25Å; R483-E487 IonicContact NH1-OE2 3.27Å; R483-E487 PolarHBondContact NH1-OE2 3.29Å; R483-E487 WeakPolarHBondContact O-CB 3.32Å; R483-E487 WeakPolarHBondContact O-CG 3.17Å; R483-E487 PolarHBondContact O-N 3.04Å; E487-L489 VanDerWaalsContact C-N 3.31Å; E487-L489 HydrophobicContact CB-CD1 4.18Å; E487-L489 HydrophobicContact CB-CG 4.13Å; E487-L489 PolarHBondContact O-N 3.22Å; E487-R584 IonicContact OE2-NH1 3.77Å
488G96.3Very high96Very high3 Ų345.2 Ų45.23%0.03121%0.206CC..THydrogen-bonded Turntrans72.121.3177.100000113.9L484 W485 D486 I490 G572 S573L484-G488 PolarHBondContact O-N 3.38Å; W485-G488 WeakPolarHBondContact O-CA 3.46Å; W485-G488 PolarHBondContact O-N 3.38Å; D486-G488 PolarHBondContact O-N 3.34Å; G488-I490 VanDerWaalsContact C-N 3.32Å; G488-G572 CarbonylContact O-C 3.6Å; G488-G572 WeakPolarHBondContact O-CA 3.48Å; G488-S573 WeakPolarHBondContact CA-OG 3.32Å; G488-S573 PolarHBondContact O-N 3.23Å; G488-S573 PolarHBondContact O-OG 2.75Å; G488-S573 VanDerWaalsContact O-OG 3.13Å
489L96.6Very high96Very high1 Ų139.5 Ų39.51%0.00518%0.182CC..  trans-80.5-14.2178.9-61.6169.9000112.9L484 E487 V570 F577 V581 I582L484-L489 HydrophobicContact CB-CB 4.46Å; L484-L489 HydrophobicContact CD2-CD1 3.59Å; L484-L489 WeakPolarHBondContact O-CB 3.19Å; L484-L489 PolarHBondContact O-N 2.87Å; E487-L489 VanDerWaalsContact C-N 3.31Å; E487-L489 HydrophobicContact CB-CD1 4.18Å; E487-L489 HydrophobicContact CB-CG 4.13Å; E487-L489 PolarHBondContact O-N 3.22Å; L489-V570 HydrophobicContact CD2-CG1 4.14Å; L489-F577 HydrophobicContact CD2-CB 3.74Å; L489-F577 HydrophobicContact CD2-CD1 3.95Å; L489-F577 HydrophobicContact CD2-CD2 3.88Å; L489-F577 HydrophobicContact CD2-CE1 4.49Å; L489-F577 HydrophobicContact CD2-CE2 4.45Å; L489-F577 HydrophobicContact CD2-CG 3.6Å; L489-V581 HydrophobicContact CD1-CG1 3.92Å; L489-V581 HydrophobicContact CD2-CB 4.46Å; L489-V581 HydrophobicContact CD2-CG1 4.19Å; L489-I582 HydrophobicContact CD1-CG1 4.45Å
490I97.4Very high96Very high0 Ų037.4 Ų37.40%017%0.169CC..  trans-102.9116.8176.6-63.5172.8000109.1R420 L481 L484 W485 G488 G492 L513 F515R420-I490 PolarHBondContact NH1-O 3.46Å; L481-I490 HydrophobicContact CB-CD1 3.73Å; L481-I490 HydrophobicContact CD1-CD1 4.03Å; L481-I490 HydrophobicContact CG-CD1 4.33Å; L484-I490 HydrophobicContact CB-CD1 3.68Å; L484-I490 HydrophobicContact CB-CG1 3.95Å; L484-I490 PolarHBondContact O-N 3.03Å; W485-I490 HydrophobicContact CE3-CB 4.25Å; W485-I490 HydrophobicContact CE3-CG2 4.11Å; W485-I490 HydrophobicContact CZ3-CG2 4.38Å; G488-I490 VanDerWaalsContact C-N 3.32Å; I490-G492 VanDerWaalsContact C-N 3.35Å; I490-L513 HydrophobicContact CG1-CB 4.17Å; I490-L513 HydrophobicContact CG1-CD1 3.83Å; I490-L513 HydrophobicContact CG2-CB 4.37Å; I490-F515 HydrophobicContact CG2-CE2 4.4Å; I490-F515 HydrophobicContact CG2-CZ 4.01Å
491R97.1Very high96.1Very high31 Ų3138.7 Ų38.712%0.11718%0.176CC..  trans-66.7-40.8169.1-17859.8-169.684.40.5110.8D426 F493 I494 L513 G572D426-R491 IonicContact OD1-NH1 2.71Å; D426-R491 PolarHBondContact OD1-NH1 3.46Å; D426-R491 VanDerWaalsContact OD1-NH1 3.11Å; R491-F493 PolarHBondContact NH1-O 3.38Å; R491-F493 PolarHBondContact O-N 3.46Å; R491-F493 VanDerWaalsContact O-N 3.07Å; R491-I494 HydrophobicContact CB-CG2 4.43Å; R491-I494 HydrophobicContact CG-CB 4.04Å; R491-I494 HydrophobicContact CG-CD1 4.08Å; R491-I494 HydrophobicContact CG-CG2 3.76Å; R491-L513 PolarHBondContact N-O 2.96Å; R491-G572 WeakPolarHBondContact CB-O 3.23Å; R491-G572 WeakPolarHBondContact CD-O 3.37Å
492G97.4Very high96Very high0 Ų040.3 Ų40.30%018%0.184CC..BIsolated β-bridgetrans75.8-92.4166.300000113.5I490 I494 L513 R514 F515I490-G492 VanDerWaalsContact C-N 3.35Å; G492-I494 PolarHBondContact O-N 3.46Å; G492-I494 VanDerWaalsContact O-N 3.17Å; G492-L513 PolarHBondContact N-O 2.81Å; G492-R514 WeakPolarHBondContact O-CA 3.15Å; G492-F515 PolarHBondContact O-N 2.75Å
493F97.6Very high96Very high0 Ų037.5 Ų37.50%017%0.17CC..SBendtrans-85.684.1-173.8-61-72.3000110.5F412 L422 D426 Y429 L430 W469 F470 I473 W485 R491 F515F412-F493 HydrophobicContact CE2-CE2 4.19Å; F412-F493 HydrophobicContact CE2-CZ 4.21Å; L422-F493 HydrophobicContact CD2-CD2 3.93Å; L422-F493 HydrophobicContact CD2-CE2 3.37Å; L422-F493 HydrophobicContact CD2-CZ 4.13Å; D426-F493 HydrophobicContact CB-CB 4.07Å; D426-F493 HydrophobicContact CB-CD2 3.8Å; D426-F493 HydrophobicContact CB-CG 4.25Å; Y429-F493 HydrophobicContact CD1-CB 3.59Å; Y429-F493 HydrophobicContact CD1-CD1 4.07Å; Y429-F493 HydrophobicContact CD1-CG 4.31Å; Y429-F493 HydrophobicContact CE1-CB 4.26Å; Y429-F493 HydrophobicContact CE1-CD1 4.32Å; Y429-F493 HydrophobicContact CG-CB 4.08Å; L430-F493 HydrophobicContact CD2-CD1 3.79Å; L430-F493 HydrophobicContact CD2-CE1 3.78Å; L430-F493 HydrophobicContact CG-CD1 4.29Å; W469-F493 AromaticContact CH2-CD1 3.91Å; W469-F493 HydrophobicContact CH2-CD1 3.91Å; W469-F493 AromaticContact CH2-CE1 3.96Å; W469-F493 HydrophobicContact CH2-CE1 3.96Å; W469-F493 HydrophobicContact CZ2-CD1 4.43Å; W469-F493 HydrophobicContact CZ2-CE1 4.45Å; F470-F493 HydrophobicContact CD2-CE1 4.33Å; F470-F493 HydrophobicContact CD2-CZ 4.38Å; F470-F493 HydrophobicContact CE2-CE1 4.45Å; F470-F493 HydrophobicContact CE2-CZ 4.12Å; I473-F493 HydrophobicContact CD1-CE1 4.11Å; I473-F493 HydrophobicContact CG2-CE1 4.33Å; I473-F493 HydrophobicContact CG2-CZ 4.01Å; W485-F493 AromaticContact CH2-CD2 3.95Å; W485-F493 HydrophobicContact CH2-CD2 3.95Å; W485-F493 AromaticContact CH2-CE2 3.73Å; W485-F493 HydrophobicContact CH2-CE2 3.73Å; W485-F493 HydrophobicContact CZ3-CD2 4.35Å; W485-F493 HydrophobicContact CZ3-CE2 4.14Å; R491-F493 PolarHBondContact NH1-O 3.38Å; R491-F493 PolarHBondContact O-N 3.46Å; R491-F493 VanDerWaalsContact O-N 3.07Å; F493-F515 HydrophobicContact CD1-CD2 4.1Å; F493-F515 HydrophobicContact CD2-CD2 4.45Å; F493-F515 HydrophobicContact CD2-CE2 4.37Å; F493-F515 AromaticContact CE1-CD2 3.91Å; F493-F515 HydrophobicContact CE1-CD2 3.91Å; F493-F515 HydrophobicContact CE1-CE2 4.36Å; F493-F515 HydrophobicContact CE2-CD2 4.27Å; F493-F515 AromaticContact CE2-CE2 3.97Å; F493-F515 HydrophobicContact CE2-CE2 3.97Å; F493-F515 HydrophobicContact CG-CD2 4.38Å; F493-F515 HydrophobicContact CZ-CD2 4.01Å; F493-F515 AromaticContact CZ-CE2 3.98Å; F493-F515 HydrophobicContact CZ-CE2 3.98Å
494I96.9Very high96Very high9 Ų938 Ų385%0.04618%0.176CC..  trans-148.9138.1179.2-172.5169.7000109.8Y429 R491 G492 D498 A499 L502 L512 R514Y429-I494 VanDerWaalsContact CE2-C 3.42Å; R491-I494 HydrophobicContact CB-CG2 4.43Å; R491-I494 HydrophobicContact CG-CB 4.04Å; R491-I494 HydrophobicContact CG-CD1 4.08Å; R491-I494 HydrophobicContact CG-CG2 3.76Å; G492-I494 PolarHBondContact O-N 3.46Å; G492-I494 VanDerWaalsContact O-N 3.17Å; I494-D498 HydrophobicContact CD1-CB 4.06Å; I494-D498 HydrophobicContact CG1-CB 3.7Å; I494-A499 HydrophobicContact CD1-CB 4.22Å; I494-A499 HydrophobicContact CG1-CB 4.3Å; I494-A499 HydrophobicContact CG2-CB 4.33Å; I494-L502 HydrophobicContact CD1-CD2 3.98Å; I494-L512 HydrophobicContact CG2-CD1 4.26Å; I494-R514 HydrophobicContact CG2-CB 3.63Å
495S94.5Very high95.9Very high15 Ų1541.4 Ų41.411%0.10520%0.201CC..  trans-69.8161.4-179.581.80000110.8Q497 D498 A499S495-Q497 PolarHBondContact O-N 3Å; S495-Q497 PolarHBondContact OG-N 2.88Å; S495-D498 WeakPolarHBondContact CB-OD2 3.45Å; S495-D498 WeakPolarHBondContact OG-CB 3.41Å; S495-D498 PolarHBondContact OG-N 3.35Å; S495-D498 PolarHBondContact OG-OD2 3.1Å; S495-A499 WeakPolarHBondContact O-CB 3.32Å; S495-A499 PolarHBondContact O-N 3.17Å
496R93.4Very high95.6Very high160 Ų16043 Ų4360%0.60421%0.209SC*.Hα-helixtrans-61.8-33.6174.2-174.9177.1177172.9-2.6111.7R500R496-R500 WeakPolarHBondContact O-CB 3.35Å; R496-R500 PolarHBondContact O-N 3.49Å; R496-R500 VanDerWaalsContact O-N 3.15Å
497Q94.7Very high95Very high105 Ų10550.2 Ų50.249%0.49124%0.241SC..Hα-helixtrans-72.2-50179.8-176.160.82100110.8S495 A499 R500 E501S495-Q497 PolarHBondContact O-N 3Å; S495-Q497 PolarHBondContact OG-N 2.88Å; Q497-A499 VanDerWaalsContact C-N 3.3Å; Q497-A499 PolarHBondContact O-N 2.85Å; Q497-R500 WeakPolarHBondContact O-CA 3.4Å; Q497-R500 WeakPolarHBondContact O-CB 3.49Å; Q497-R500 PolarHBondContact O-N 2.86Å; Q497-E501 PolarHBondContact NE2-OE1 3.15Å; Q497-E501 PolarHBondContact O-N 2.66Å
498D95.2Very high94.4Very high71 Ų7152 Ų5238%0.3825%0.25SC..Hα-helixtrans-65.2-36.8179.4-52.5-36.6000111.3I494 S495 R500 E501 L502I494-D498 HydrophobicContact CD1-CB 4.06Å; I494-D498 HydrophobicContact CG1-CB 3.7Å; S495-D498 WeakPolarHBondContact CB-OD2 3.45Å; S495-D498 WeakPolarHBondContact OG-CB 3.41Å; S495-D498 PolarHBondContact OG-N 3.35Å; S495-D498 PolarHBondContact OG-OD2 3.1Å; D498-R500 VanDerWaalsContact C-N 3.29Å; D498-R500 PolarHBondContact O-N 3.05Å; D498-E501 PolarHBondContact O-N 3.09Å; D498-L502 WeakPolarHBondContact O-CB 3.37Å; D498-L502 PolarHBondContact O-N 3.06Å
499A96Very high94Very high1 Ų153.5 Ų53.51%0.00826%0.26CS..Hα-helixtrans-61.3-39.2173.500000111.7I494 S495 Q497 L503 L512I494-A499 HydrophobicContact CD1-CB 4.22Å; I494-A499 HydrophobicContact CG1-CB 4.3Å; I494-A499 HydrophobicContact CG2-CB 4.33Å; S495-A499 WeakPolarHBondContact O-CB 3.32Å; S495-A499 PolarHBondContact O-N 3.17Å; Q497-A499 VanDerWaalsContact C-N 3.3Å; Q497-A499 PolarHBondContact O-N 2.85Å; A499-L503 WeakPolarHBondContact O-CB 3.45Å; A499-L503 VanDerWaalsContact O-CG 3.24Å; A499-L503 WeakPolarHBondContact O-CG 3.04Å; A499-L503 PolarHBondContact O-N 3.35Å; A499-L503 VanDerWaalsContact O-N 3.08Å; A499-L512 HydrophobicContact CB-CD1 4.11Å; A499-L512 HydrophobicContact CB-CD2 3.96Å
500R96Very high93.8Very high73 Ų7353.5 Ų53.528%0.27526%0.26SS..Hα-helixtrans-65.3-52175.6172.9-176-176.692.43110.7R496 Q497 D498 L502 L503 L504 E537 V538R496-R500 WeakPolarHBondContact O-CB 3.35Å; R496-R500 PolarHBondContact O-N 3.49Å; R496-R500 VanDerWaalsContact O-N 3.15Å; Q497-R500 WeakPolarHBondContact O-CA 3.4Å; Q497-R500 WeakPolarHBondContact O-CB 3.49Å; Q497-R500 PolarHBondContact O-N 2.86Å; D498-R500 VanDerWaalsContact C-N 3.29Å; D498-R500 PolarHBondContact O-N 3.05Å; R500-L502 VanDerWaalsContact C-N 3.34Å; R500-L502 PolarHBondContact O-N 2.74Å; R500-L503 PolarHBondContact O-N 2.82Å; R500-L504 HydrophobicContact CG-CD1 3.85Å; R500-L504 HydrophobicContact CG-CG 4.45Å; R500-L504 WeakPolarHBondContact O-CB 3.31Å; R500-L504 VanDerWaalsContact O-CG 3.3Å; R500-L504 WeakPolarHBondContact O-CG 3.25Å; R500-L504 PolarHBondContact O-N 2.81Å; R500-E537 IonicContact CZ-OE1 3.28Å; R500-E537 IonicContact CZ-OE2 3.01Å; R500-E537 IonicContact NH1-OE1 3.17Å; R500-E537 PolarHBondContact NH1-OE1 3.46Å; R500-E537 IonicContact NH1-OE2 3.7Å; R500-E537 IonicContact NH2-OE1 3.61Å; R500-E537 PolarHBondContact NH2-OE1 3.39Å; R500-E537 IonicContact NH2-OE2 2.71Å; R500-E537 PolarHBondContact NH2-OE2 2.85Å; R500-V538 HydrophobicContact CB-CB 4.37Å; R500-V538 HydrophobicContact CB-CG1 4.49Å; R500-V538 HydrophobicContact CB-CG2 4.5Å; R500-V538 HydrophobicContact CG-CB 4.09Å; R500-V538 HydrophobicContact CG-CG2 4.1Å
501E96.2Very high93.7Very high105 Ų10553.5 Ų53.549%0.49126%0.26SS..Hα-helixtrans-60.9-44.6-178.6-70.4176.7-16800111.6Q497 D498 L504 S505Q497-E501 PolarHBondContact NE2-OE1 3.15Å; Q497-E501 PolarHBondContact O-N 2.66Å; D498-E501 PolarHBondContact O-N 3.09Å; E501-L504 PolarHBondContact O-N 3.14Å; E501-S505 WeakPolarHBondContact O-CB 3.34Å; E501-S505 PolarHBondContact O-N 3.35Å
502L95.3Very high93.7Very high37 Ų3752 Ų5219%0.19425%0.254CS..Hα-helixtrans-57.9-53.6175.717861.1000111.1I494 D498 R500 L504 S505 L506 L512 Y571I494-L502 HydrophobicContact CD1-CD2 3.98Å; D498-L502 WeakPolarHBondContact O-CB 3.37Å; D498-L502 PolarHBondContact O-N 3.06Å; R500-L502 VanDerWaalsContact C-N 3.34Å; R500-L502 PolarHBondContact O-N 2.74Å; L502-L504 VanDerWaalsContact C-N 3.31Å; L502-L504 PolarHBondContact O-N 3.37Å; L502-S505 PolarHBondContact O-N 3.18Å; L502-S505 VanDerWaalsContact O-N 3.1Å; L502-S505 PolarHBondContact O-OG 2.74Å; L502-L506 WeakPolarHBondContact O-CG 3.41Å; L502-L506 PolarHBondContact O-N 2.94Å; L502-L512 HydrophobicContact CD2-CD2 4.21Å; L502-Y571 HydrophobicContact CD1-CE1 4.47Å; L502-Y571 HydrophobicContact CD1-CE2 4.27Å; L502-Y571 HydrophobicContact CD2-CD1 3.8Å; L502-Y571 HydrophobicContact CD2-CE1 3.69Å; L502-Y571 HydrophobicContact CD2-CG 4.39Å
503L95.4Very high93.7Very high0 Ų052 Ų520%025%0.254CS..Hα-helixtrans-62.8-36.6-178.7-73.2173.8000112.7A499 R500 S505 L506 C510 L512 S526 A528 R536 V538A499-L503 WeakPolarHBondContact O-CB 3.45Å; A499-L503 VanDerWaalsContact O-CG 3.24Å; A499-L503 WeakPolarHBondContact O-CG 3.04Å; A499-L503 PolarHBondContact O-N 3.35Å; A499-L503 VanDerWaalsContact O-N 3.08Å; R500-L503 PolarHBondContact O-N 2.82Å; L503-S505 VanDerWaalsContact C-N 3.32Å; L503-L506 HydrophobicContact CD2-CD1 4.28Å; L503-C510 HydrophobicContact CD2-CB 4.05Å; L503-L512 HydrophobicContact CD1-CD2 4.01Å; L503-L512 HydrophobicContact CD1-CG 4.11Å; L503-L512 HydrophobicContact CD2-CD2 4.02Å; L503-L512 HydrophobicContact CD2-CG 4.36Å; L503-L512 HydrophobicContact CG-CD2 3.76Å; L503-L512 HydrophobicContact CG-CG 4.31Å; L503-S526 WeakPolarHBondContact CD1-O 3.42Å; L503-A528 HydrophobicContact CB-CB 4.12Å; L503-R536 PolarHBondContact O-NH1 2.99Å; L503-R536 PolarHBondContact O-NH2 2.84Å; L503-V538 HydrophobicContact CB-CG2 3.86Å; L503-V538 HydrophobicContact CD1-CG1 3.72Å; L503-V538 HydrophobicContact CD1-CG2 4.38Å
504L94.7Very high93.6Very high60 Ų6053 Ų5331%0.31426%0.258SS..Hα-helixtrans-68.9-30.6175.6-70.8175.2000112.7R500 E501 L502 R536 V538R500-L504 HydrophobicContact CG-CD1 3.85Å; R500-L504 HydrophobicContact CG-CG 4.45Å; R500-L504 WeakPolarHBondContact O-CB 3.31Å; R500-L504 VanDerWaalsContact O-CG 3.3Å; R500-L504 WeakPolarHBondContact O-CG 3.25Å; R500-L504 PolarHBondContact O-N 2.81Å; E501-L504 PolarHBondContact O-N 3.14Å; L502-L504 VanDerWaalsContact C-N 3.31Å; L502-L504 PolarHBondContact O-N 3.37Å; L504-R536 HydrophobicContact CD2-CB 4.07Å; L504-R536 HydrophobicContact CD2-CG 3.97Å; L504-R536 WeakPolarHBondContact CD2-O 3.42Å; L504-R536 PolarHBondContact O-NH1 3.2Å; L504-R536 VanDerWaalsContact O-NH1 3.13Å; L504-V538 HydrophobicContact CD2-CG2 3.95Å; L504-V538 HydrophobicContact CG-CG2 3.81Å
505S94Very high93.7Very high86 Ų8652.6 Ų52.660%0.60126%0.256SS*.Hα-helixtrans-74.5-23.2179.276.50000114.2E501 L502 L503E501-S505 WeakPolarHBondContact O-CB 3.34Å; E501-S505 PolarHBondContact O-N 3.35Å; L502-S505 PolarHBondContact O-N 3.18Å; L502-S505 VanDerWaalsContact O-N 3.1Å; L502-S505 PolarHBondContact O-OG 2.74Å; L503-S505 VanDerWaalsContact C-N 3.32Å
506L91.5Very high93.8Very high33 Ų3352.2 Ų52.217%0.17325%0.254CS..SBendtrans-71.4143.7179.2-64.5172.6000110.6L502 L503 C510 R536 Y571L502-L506 WeakPolarHBondContact O-CG 3.41Å; L502-L506 PolarHBondContact O-N 2.94Å; L503-L506 HydrophobicContact CD2-CD1 4.28Å; L506-C510 HydrophobicContact CD1-CB 3.87Å; L506-R536 PolarHBondContact O-NH1 3.11Å; L506-Y571 HydrophobicContact CD1-CD2 3.64Å; L506-Y571 HydrophobicContact CD1-CE2 4.41Å; L506-Y571 HydrophobicContact CD1-CG 4.25Å; L506-Y571 HydrophobicContact CD2-CD2 4.01Å; L506-Y571 HydrophobicContact CD2-CE2 4.01Å; L506-Y571 HydrophobicContact CG-CD2 4.44Å
507Q84.4Confident93.9Very high196 Ų19645.2 Ų45.292%0.91623%0.228SC*.SBendtrans-72.3-35177.7-69.8-175.2-25.600112.7
508E82.3Confident93.9Very high105 Ų10543 Ų4349%0.49122%0.224SC..SBendtrans-95.2150.1-176.6-62.5179.2178.100111.9C510 R536 H569E508-C510 PolarHBondContact O-N 2.7Å; E508-C510 VanDerWaalsContact O-N 3.14Å; E508-R536 VanDerWaalsContact C-NH2 3.28Å; E508-R536 PolarHBondContact O-NH2 3.42Å; E508-H569 IonicContact OE2-CE1 3.18Å; E508-H569 PolarHBondContact OE2-CE1 3.14Å; E508-H569 IonicContact OE2-CG 3.63Å; E508-H569 IonicContact OE2-ND1 2.75Å; E508-H569 PolarHBondContact OE2-ND1 2.68Å
509S86.8Confident93.9Very high36 Ų3644 Ų4425%0.25223%0.226SC..  trans-61.8113.5168.6-66.30000109.7I567S509-I567 WeakPolarHBondContact O-CG2 3.46Å
510C92.2Very high93.8Very high0 Ų046.2 Ų46.20%024%0.238CC..EExtended strand (participates in β ladder)trans-126.7159.9177.9-65.80000109.9L503 L506 E508 A528 H569L503-C510 HydrophobicContact CD2-CB 4.05Å; L506-C510 HydrophobicContact CD1-CB 3.87Å; E508-C510 PolarHBondContact O-N 2.7Å; E508-C510 VanDerWaalsContact O-N 3.14Å; C510-A528 PolarHBondContact O-N 3.01Å; C510-A528 VanDerWaalsContact O-N 3.14Å; C510-H569 WeakPolarHBondContact CA-O 3.28Å
511F95.6Very high93.7Very high0 Ų042.9 Ų42.90%023%0.226CC..EExtended strand (participates in β ladder)trans-119.7163.9161.271.8-84.3000110.5L513 V525 S526 F527 I558 L564 I567 H569 V570 Y571 K579 I582F511-L513 HydrophobicContact CD2-CD2 4.4Å; F511-L513 HydrophobicContact CE2-CD2 4.18Å; F511-L513 HydrophobicContact CE2-CG 4.49Å; F511-V525 HydrophobicContact CB-CG1 4.26Å; F511-V525 HydrophobicContact CD2-CG1 3.74Å; F511-V525 HydrophobicContact CG-CG1 4.31Å; F511-S526 CarbonylContact C-O 3.55Å; F511-S526 WeakPolarHBondContact CA-O 3.33Å; F511-S526 WeakPolarHBondContact CB-O 3.15Å; F511-F527 HydrophobicContact CB-CB 3.62Å; F511-I558 HydrophobicContact CE1-CG2 4.37Å; F511-I558 HydrophobicContact CE2-CD1 3.98Å; F511-I558 HydrophobicContact CE2-CG2 4.25Å; F511-I558 HydrophobicContact CZ-CD1 4.37Å; F511-I558 HydrophobicContact CZ-CG2 3.76Å; F511-L564 HydrophobicContact CB-CD2 4.14Å; F511-L564 HydrophobicContact CG-CD2 4.35Å; F511-I567 HydrophobicContact CD1-CB 4.48Å; F511-I567 HydrophobicContact CD1-CG2 3.73Å; F511-H569 VanDerWaalsContact CD1-O 3.25Å; F511-H569 WeakPolarHBondContact CD1-O 3.4Å; F511-H569 PolarHBondContact N-O 3.23Å; F511-H569 VanDerWaalsContact N-O 3.14Å; F511-V570 HydrophobicContact CD1-CB 4.4Å; F511-V570 HydrophobicContact CD2-CB 4.4Å; F511-V570 HydrophobicContact CD2-CG2 3.94Å; F511-V570 HydrophobicContact CE1-CB 3.84Å; F511-V570 HydrophobicContact CE1-CG2 4.39Å; F511-V570 HydrophobicContact CE2-CB 3.86Å; F511-V570 HydrophobicContact CE2-CG2 3.51Å; F511-V570 HydrophobicContact CZ-CB 3.57Å; F511-V570 HydrophobicContact CZ-CG2 3.79Å; F511-V570 CarbonylContact O-C 3.58Å; F511-V570 VanDerWaalsContact O-CA 3.29Å; F511-V570 WeakPolarHBondContact O-CA 3.18Å; F511-Y571 PolarHBondContact O-N 3.07Å; F511-K579 HydrophobicContact CE1-CB 4.16Å; F511-K579 HydrophobicContact CE1-CD 3.91Å; F511-K579 HydrophobicContact CE1-CG 3.83Å; F511-K579 HydrophobicContact CZ-CG 4.11Å; F511-I582 HydrophobicContact CE2-CD1 3.88Å; F511-I582 HydrophobicContact CZ-CD1 3.57Å
512L96.8Very high93.7Very high0 Ų037.9 Ų37.90%020%0.203CC..EExtended strand (participates in β ladder)trans-136157172.66881.7000111.3I494 A499 L502 L503 R514 V525 S526 Y571I494-L512 HydrophobicContact CG2-CD1 4.26Å; A499-L512 HydrophobicContact CB-CD1 4.11Å; A499-L512 HydrophobicContact CB-CD2 3.96Å; L502-L512 HydrophobicContact CD2-CD2 4.21Å; L503-L512 HydrophobicContact CD1-CD2 4.01Å; L503-L512 HydrophobicContact CD1-CG 4.11Å; L503-L512 HydrophobicContact CD2-CD2 4.02Å; L503-L512 HydrophobicContact CD2-CG 4.36Å; L503-L512 HydrophobicContact CG-CD2 3.76Å; L503-L512 HydrophobicContact CG-CG 4.31Å; L512-R514 HydrophobicContact CD1-CB 3.83Å; L512-R514 HydrophobicContact CD1-CG 4.22Å; L512-V525 WeakPolarHBondContact O-CA 3.19Å; L512-S526 PolarHBondContact N-O 3.38Å; L512-S526 PolarHBondContact O-N 3.46Å; L512-Y571 WeakPolarHBondContact CB-O 3.43Å
513L97.7Very high93.9Very high0 Ų036.1 Ų36.10%019%0.194CC..EExtended strand (participates in β ladder)trans-104.1120176.1-56.5177.7000109.1I490 R491 G492 F511 L523 V525 L554 I558I490-L513 HydrophobicContact CG1-CB 4.17Å; I490-L513 HydrophobicContact CG1-CD1 3.83Å; I490-L513 HydrophobicContact CG2-CB 4.37Å; R491-L513 PolarHBondContact N-O 2.96Å; G492-L513 PolarHBondContact N-O 2.81Å; F511-L513 HydrophobicContact CD2-CD2 4.4Å; F511-L513 HydrophobicContact CE2-CD2 4.18Å; F511-L513 HydrophobicContact CE2-CG 4.49Å; L513-L523 HydrophobicContact CB-CD1 4.26Å; L513-L523 HydrophobicContact CD2-CD2 4.48Å; L513-V525 HydrophobicContact CD2-CB 4.44Å; L513-V525 HydrophobicContact CD2-CG1 4.42Å; L513-V525 HydrophobicContact CD2-CG2 3.72Å; L513-L554 HydrophobicContact CD1-CD2 3.91Å; L513-L554 HydrophobicContact CD2-CD2 4.4Å; L513-I558 HydrophobicContact CD2-CD1 4.08Å
514R97.1Very high93.9Very high20 Ų2036.2 Ų36.28%0.07519%0.194CC..EExtended strand (participates in β ladder)trans-128.1151.3178.869.7177.1-174.880.96.5111.6G492 I494 L512 S524 S526G492-R514 WeakPolarHBondContact O-CA 3.15Å; I494-R514 HydrophobicContact CG2-CB 3.63Å; L512-R514 HydrophobicContact CD1-CB 3.83Å; L512-R514 HydrophobicContact CD1-CG 4.22Å; R514-S524 PolarHBondContact N-O 2.94Å; R514-S524 PolarHBondContact O-N 2.97Å; R514-S526 PolarHBondContact NE-OG 2.98Å
515F98.1Very high93.9Very high1 Ų133.3 Ų33.30%0.00418%0.179CC..EExtended strand (participates in β ladder)trans-74.8145.9171-59.7-56.1000110.6I473 L476 I477 L481 W485 I490 G492 F493 G522 L523I473-F515 HydrophobicContact CD1-CB 3.56Å; I473-F515 HydrophobicContact CD1-CD1 4.47Å; I473-F515 HydrophobicContact CD1-CD2 4.13Å; I473-F515 HydrophobicContact CD1-CG 3.81Å; I473-F515 HydrophobicContact CG1-CB 4.06Å; I473-F515 HydrophobicContact CG1-CD1 4.14Å; I473-F515 HydrophobicContact CG1-CD2 4.49Å; I473-F515 HydrophobicContact CG1-CG 3.98Å; I473-F515 HydrophobicContact CG2-CD1 3.9Å; I473-F515 HydrophobicContact CG2-CD2 3.68Å; I473-F515 HydrophobicContact CG2-CE1 3.84Å; I473-F515 HydrophobicContact CG2-CE2 3.6Å; I473-F515 HydrophobicContact CG2-CG 3.84Å; I473-F515 HydrophobicContact CG2-CZ 3.7Å; L476-F515 HydrophobicContact CD2-CD1 4.48Å; L476-F515 HydrophobicContact CD2-CE1 4.34Å; I477-F515 HydrophobicContact CD1-CE1 4.44Å; I477-F515 HydrophobicContact CD1-CE2 4.12Å; I477-F515 HydrophobicContact CD1-CZ 3.59Å; I477-F515 HydrophobicContact CG1-CE1 4.21Å; I477-F515 HydrophobicContact CG1-CZ 3.77Å; L481-F515 HydrophobicContact CD1-CE1 4.27Å; W485-F515 HydrophobicContact CE3-CE2 4.36Å; W485-F515 HydrophobicContact CE3-CZ 4.28Å; W485-F515 AromaticContact CZ3-CE2 3.92Å; W485-F515 HydrophobicContact CZ3-CE2 3.92Å; W485-F515 HydrophobicContact CZ3-CZ 4.29Å; I490-F515 HydrophobicContact CG2-CE2 4.4Å; I490-F515 HydrophobicContact CG2-CZ 4.01Å; G492-F515 PolarHBondContact O-N 2.75Å; F493-F515 HydrophobicContact CD1-CD2 4.1Å; F493-F515 HydrophobicContact CD2-CD2 4.45Å; F493-F515 HydrophobicContact CD2-CE2 4.37Å; F493-F515 AromaticContact CE1-CD2 3.91Å; F493-F515 HydrophobicContact CE1-CD2 3.91Å; F493-F515 HydrophobicContact CE1-CE2 4.36Å; F493-F515 HydrophobicContact CE2-CD2 4.27Å; F493-F515 AromaticContact CE2-CE2 3.97Å; F493-F515 HydrophobicContact CE2-CE2 3.97Å; F493-F515 HydrophobicContact CG-CD2 4.38Å; F493-F515 HydrophobicContact CZ-CD2 4.01Å; F493-F515 AromaticContact CZ-CE2 3.98Å; F493-F515 HydrophobicContact CZ-CE2 3.98Å; F515-G522 CarbonylContact C-O 3.59Å; F515-G522 WeakPolarHBondContact CA-O 3.37Å; F515-L523 HydrophobicContact CD1-CD1 3.91Å; F515-L523 HydrophobicContact CE1-CD1 3.85Å
516S96.7Very high94Very high8 Ų829.4 Ų29.46%0.05615%0.151CC..  trans-82.7130.2180-173.50000110.4W469 S518 H519 G522W469-S516 PolarHBondContact NE1-O 2.82Å; S516-S518 VanDerWaalsContact C-N 3.32Å; S516-S518 PolarHBondContact OG-N 2.92Å; S516-H519 PolarHBondContact OG-N 2.85Å; S516-G522 PolarHBondContact N-O 2.97Å
517D95.3Very high94.1Very high13 Ų1328 Ų287%0.0714%0.144CC..SBendtrans-79-18.1173-65.6-13000112.7Y429 K433 M458 L462Y429-D517 PolarHBondContact OH-OD1 2.63Å; Y429-D517 PolarHBondContact OH-OD2 3.3Å; K433-D517 VanDerWaalsContact CE-OD2 3.31Å; K433-D517 WeakPolarHBondContact CE-OD2 3.29Å; K433-D517 IonicContact NZ-OD2 3.48Å; K433-D517 PolarHBondContact NZ-OD2 3.13Å; M458-D517 HydrophobicContact CE-CB 4.14Å; M458-D517 VanDerWaalsContact CE-O 3.28Å; M458-D517 WeakPolarHBondContact CE-O 3.33Å; L462-D517 WeakPolarHBondContact CD1-O 3.49Å
518S94.3Very high94.4Very high57 Ų5718.7 Ų18.740%0.39910%0.1SC..SBendtrans-105.2-3.3-174.4-53.20000113.4R459 S516R459-S518 PolarHBondContact NH2-OG 3.4Å; S516-S518 VanDerWaalsContact C-N 3.32Å; S516-S518 PolarHBondContact OG-N 2.92Å
519H94.8Very high94.5Very high92 Ų9215.6 Ų15.643%0.4269%0.089SC..SBendtrans-135.7127.7-179.2-67.958.5000109.6S516 G521 G522 P543S516-H519 PolarHBondContact OG-N 2.85Å; H519-G521 PolarHBondContact O-N 3.06Å; H519-G522 PolarHBondContact O-N 2.87Å; H519-P543 HydrophobicContact CB-CB 4.49Å; H519-P543 HydrophobicContact CB-CG 3.97Å; H519-P543 VanDerWaalsContact CG-CG 3.46Å
520L94.8Very high94.4Very high48 Ų4819.2 Ų19.225%0.25110%0.1SC..THydrogen-bonded Turntrans-59.3123.9173.8-70.9178.5000110.6F464 W469 E472 G522F464-L520 HydrophobicContact CB-CD1 4.26Å; F464-L520 HydrophobicContact CB-CD2 3.94Å; F464-L520 HydrophobicContact CB-CG 4.37Å; F464-L520 HydrophobicContact CD1-CD1 4.21Å; F464-L520 HydrophobicContact CD1-CD2 3.95Å; F464-L520 HydrophobicContact CD1-CG 3.8Å; F464-L520 HydrophobicContact CD2-CD2 3.62Å; F464-L520 HydrophobicContact CD2-CG 4.37Å; F464-L520 HydrophobicContact CE1-CD2 4.36Å; F464-L520 HydrophobicContact CE1-CG 4.13Å; F464-L520 HydrophobicContact CE2-CD2 4.06Å; F464-L520 HydrophobicContact CG-CD1 4.31Å; F464-L520 HydrophobicContact CG-CD2 3.56Å; F464-L520 HydrophobicContact CG-CG 3.93Å; F464-L520 HydrophobicContact CZ-CD2 4.41Å; W469-L520 HydrophobicContact CB-CD2 4.2Å; E472-L520 HydrophobicContact CB-CB 4.26Å; E472-L520 HydrophobicContact CG-CB 4.12Å; E472-L520 HydrophobicContact CG-CD2 4.42Å; L520-G522 PolarHBondContact O-N 2.9Å
521G94.4Very high94Very high4 Ų420.3 Ų20.34%0.04111%0.106CC..THydrogen-bonded Turntrans59.931.9178.600000113.5E472 L476 H519 T545E472-G521 VanDerWaalsContact CB-N 3.33Å; L476-G521 VanDerWaalsContact CD2-O 3.31Å; L476-G521 WeakPolarHBondContact CD2-O 3.36Å; H519-G521 PolarHBondContact O-N 3.06Å; G521-T545 WeakPolarHBondContact O-CA 3.37Å
522G96.3Very high93.4Very high0 Ų027.4 Ų27.40%014%0.139CC..  trans-94.9135.6179.700000113.3F515 S516 H519 L520 F544F515-G522 CarbonylContact C-O 3.59Å; F515-G522 WeakPolarHBondContact CA-O 3.37Å; S516-G522 PolarHBondContact N-O 2.97Å; H519-G522 PolarHBondContact O-N 2.87Å; L520-G522 PolarHBondContact O-N 2.9Å; G522-F544 CarbonylContact C-O 3.58Å; G522-F544 WeakPolarHBondContact CA-O 3.42Å
523L97.8Very high93Very high0 Ų031.9 Ų31.90%016%0.163CC..EExtended strand (participates in β ladder)trans-109122.3168.6-174.179.2000110.3L476 L481 L513 F515 P543 F544 L554L476-L523 HydrophobicContact CD2-CB 4.02Å; L481-L523 HydrophobicContact CD1-CB 4.37Å; L481-L523 HydrophobicContact CD1-CD1 4.05Å; L481-L523 HydrophobicContact CD1-CD2 3.89Å; L481-L523 HydrophobicContact CD1-CG 4.33Å; L481-L523 HydrophobicContact CD2-CD2 4.06Å; L513-L523 HydrophobicContact CB-CD1 4.26Å; L513-L523 HydrophobicContact CD2-CD2 4.48Å; F515-L523 HydrophobicContact CD1-CD1 3.91Å; F515-L523 HydrophobicContact CE1-CD1 3.85Å; L523-P543 CarbonylContact O-C 3.55Å; L523-P543 VanDerWaalsContact O-CA 3.27Å; L523-P543 WeakPolarHBondContact O-CA 3.11Å; L523-F544 PolarHBondContact N-O 2.82Å; L523-F544 WeakPolarHBondContact O-CD2 3.27Å; L523-F544 PolarHBondContact O-N 3.14Å; L523-L554 HydrophobicContact CD2-CD1 4.01Å; L523-L554 HydrophobicContact CD2-CD2 3.58Å; L523-L554 HydrophobicContact CD2-CG 4.44Å
524S95.9Very high92.4Very high1 Ų134.3 Ų34.31%0.00719%0.188CC..EExtended strand (participates in β ladder)trans-107.5146.9175.3177.30000110.7R514 L541R514-S524 PolarHBondContact N-O 2.94Å; R514-S524 PolarHBondContact O-N 2.97Å; S524-L541 PolarHBondContact OG-O 3.07Å
525V95.7Very high92Very high0 Ų040.7 Ų40.70%021%0.212CC..EExtended strand (participates in β ladder)trans-102.9127.9172.4-176.20000107.7F511 L512 L513 P540 L541 F544 L564F511-V525 HydrophobicContact CB-CG1 4.26Å; F511-V525 HydrophobicContact CD2-CG1 3.74Å; F511-V525 HydrophobicContact CG-CG1 4.31Å; L512-V525 WeakPolarHBondContact O-CA 3.19Å; L513-V525 HydrophobicContact CD2-CB 4.44Å; L513-V525 HydrophobicContact CD2-CG1 4.42Å; L513-V525 HydrophobicContact CD2-CG2 3.72Å; V525-P540 CarbonylContact O-C 3.51Å; V525-P540 WeakPolarHBondContact O-CA 3.47Å; V525-L541 HydrophobicContact CB-CB 4.25Å; V525-L541 HydrophobicContact CB-CD1 3.78Å; V525-L541 HydrophobicContact CB-CG 4.23Å; V525-L541 HydrophobicContact CG1-CD1 4.17Å; V525-L541 HydrophobicContact CG2-CD1 4.33Å; V525-L541 PolarHBondContact O-N 3.32Å; V525-F544 HydrophobicContact CG2-CE2 4.17Å; V525-L564 HydrophobicContact CG1-CD1 4.05Å; V525-L564 HydrophobicContact CG1-CD2 4.46Å
526S95.3Very high91.5Very high3 Ų342.7 Ų42.72%0.02122%0.22CC..EExtended strand (participates in β ladder)trans-118.2132.3173.6-56.90000109.1L503 F511 L512 R514 F539L503-S526 WeakPolarHBondContact CD1-O 3.42Å; F511-S526 CarbonylContact C-O 3.55Å; F511-S526 WeakPolarHBondContact CA-O 3.33Å; F511-S526 WeakPolarHBondContact CB-O 3.15Å; L512-S526 PolarHBondContact N-O 3.38Å; L512-S526 PolarHBondContact O-N 3.46Å; R514-S526 PolarHBondContact NE-OG 2.98Å; S526-F539 WeakPolarHBondContact CA-O 3.34Å
527F94.2Very high91.2Very high4 Ų444.7 Ų44.72%0.01823%0.228CC..EExtended strand (participates in β ladder)trans-135.3144.6-175.566-87000111.5F511 T529 V538 F539 L541 Q563 L564 I567F511-F527 HydrophobicContact CB-CB 3.62Å; F527-T529 HydrophobicContact CE2-CG2 4.15Å; F527-V538 CarbonylContact O-C 3.6Å; F527-V538 WeakPolarHBondContact O-CA 3.35Å; F527-F539 HydrophobicContact CD1-CB 4.32Å; F527-F539 VanDerWaalsContact CD1-O 3.29Å; F527-F539 WeakPolarHBondContact CD1-O 2.98Å; F527-F539 HydrophobicContact CE1-CB 3.72Å; F527-F539 HydrophobicContact CE2-CB 3.97Å; F527-F539 HydrophobicContact CE2-CD2 4.16Å; F527-F539 HydrophobicContact CE2-CG 4.44Å; F527-F539 HydrophobicContact CZ-CB 3.52Å; F527-F539 HydrophobicContact CZ-CD2 4.41Å; F527-F539 HydrophobicContact CZ-CG 4.24Å; F527-F539 PolarHBondContact N-O 2.98Å; F527-F539 PolarHBondContact O-N 2.98Å; F527-L541 HydrophobicContact CD1-CG 4.37Å; F527-L541 HydrophobicContact CE1-CD2 3.85Å; F527-L541 HydrophobicContact CE1-CG 4.05Å; F527-Q563 HydrophobicContact CE1-CB 4.26Å; F527-Q563 HydrophobicContact CE2-CB 3.88Å; F527-Q563 HydrophobicContact CZ-CB 3.57Å; F527-Q563 HydrophobicContact CZ-CG 4.15Å; F527-L564 HydrophobicContact CB-CD2 3.61Å; F527-L564 HydrophobicContact CD1-CD2 3.8Å; F527-L564 HydrophobicContact CD2-CD2 4.34Å; F527-L564 HydrophobicContact CG-CD2 3.67Å; F527-I567 HydrophobicContact CB-CD1 3.68Å; F527-I567 HydrophobicContact CD2-CD1 3.86Å; F527-I567 HydrophobicContact CG-CD1 4.13Å
528A91.1Very high91.1Very high0 Ų044.7 Ų44.70%023%0.229CC..EExtended strand (participates in β ladder)trans-96132.2172.100000110.3L503 C510 R536 E537 V538L503-A528 HydrophobicContact CB-CB 4.12Å; C510-A528 PolarHBondContact O-N 3.01Å; C510-A528 VanDerWaalsContact O-N 3.14Å; A528-R536 HydrophobicContact CB-CG 4.43Å; A528-E537 WeakPolarHBondContact CA-O 3.34Å; A528-V538 HydrophobicContact CB-CG2 4.07Å
529T84.3Confident91Very high41 Ų4143.4 Ų43.425%0.25222%0.216SC..EExtended strand (participates in β ladder)trans-135.4160171.5-1700000110.2F527 E537 F539 I619F527-T529 HydrophobicContact CE2-CG2 4.15Å; T529-E537 PolarHBondContact N-O 3Å; T529-E537 PolarHBondContact O-N 2.93Å; T529-F539 HydrophobicContact CG2-CD2 3.76Å; T529-F539 HydrophobicContact CG2-CE2 3.65Å; T529-I619 HydrophobicContact CG2-CD1 4.42Å
530F84.6Confident90.8Very high111 Ų11141 Ų4149%0.48721%0.209SC..EExtended strand (participates in β ladder)trans-82.2135.6168-65.8-86.8000109.2R535 R536F530-R535 WeakPolarHBondContact CA-O 3.3Å; F530-R536 HydrophobicContact CD1-CB 4.18Å; F530-R536 HydrophobicContact CD1-CG 4.42Å; F530-R536 HydrophobicContact CE1-CB 4.06Å; F530-R536 HydrophobicContact CE1-CG 4.24Å; F530-R536 HydrophobicContact CZ-CG 4.42Å
531L83.4Confident90.6Very high23 Ų2339.3 Ų39.312%0.1220%0.2CC..  trans-78.8166.6166.4-56.5-179.1000109.3D533 G534 R535 E537 F539 I619L531-D533 WeakPolarHBondContact CB-OD1 3.4Å; L531-D533 PolarHBondContact O-N 3.45Å; L531-G534 PolarHBondContact O-N 3.01Å; L531-R535 HydrophobicContact CD1-CB 4.49Å; L531-R535 PolarHBondContact N-O 3.03Å; L531-E537 HydrophobicContact CD1-CB 4.06Å; L531-E537 HydrophobicContact CD2-CB 4.15Å; L531-E537 HydrophobicContact CG-CB 4.02Å; L531-F539 HydrophobicContact CD2-CE2 3.9Å; L531-F539 HydrophobicContact CD2-CZ 3.77Å; L531-I619 HydrophobicContact CD2-CD1 3.77Å
532E83.3Confident90.5Very high150 Ų15042.7 Ų42.770%0.70123%0.227SC*.THydrogen-bonded Turntrans-57.7-30.7176.1-63.2-174.7153.400113G534 G618E532-G534 PolarHBondContact O-N 3.16Å; E532-G618 VanDerWaalsContact CG-O 3.24Å; E532-G618 WeakPolarHBondContact CG-O 3.39Å; E532-G618 WeakPolarHBondContact OE1-CA 3.49Å; E532-G618 VanDerWaalsContact OE1-O 3.06Å; E532-G618 WeakPolarHBondContact OE2-CA 3.44Å
533D87.7Confident90.4Very high94 Ų9443.9 Ų43.950%0.50324%0.235SC..THydrogen-bonded Turntrans-785.3177.368.511.4000113.8L531 R535L531-D533 WeakPolarHBondContact CB-OD1 3.4Å; L531-D533 PolarHBondContact O-N 3.45Å; D533-R535 PolarHBondContact O-N 3.46Å; D533-R535 WeakPolarHBondContact OD1-CB 3.49Å; D533-R535 WeakPolarHBondContact OD1-CG 3.37Å; D533-R535 PolarHBondContact OD1-N 2.85Å; D533-R535 IonicContact OD1-NE 2.79Å; D533-R535 PolarHBondContact OD1-NE 2.99Å; D533-R535 IonicContact OD2-CZ 3.87Å; D533-R535 IonicContact OD2-NE 2.73Å; D533-R535 PolarHBondContact OD2-NE 2.99Å; D533-R535 IonicContact OD2-NH2 2.93Å; D533-R535 PolarHBondContact OD2-NH2 3.01Å
534G85.1Confident90.2Very high51 Ų5144.6 Ų44.653%0.52624%0.239SC..SBendtrans77.8-3.2-18000000114.3L531 E532L531-G534 PolarHBondContact O-N 3.01Å; E532-G534 PolarHBondContact O-N 3.16Å
535R88.2Confident90.2Very high154 Ų15446.4 Ų46.458%0.58125%0.249SC*.  trans-73.4143.7173.5-64.6-174.7-65.2156-0.2110F530 L531 D533F530-R535 WeakPolarHBondContact CA-O 3.3Å; L531-R535 HydrophobicContact CD1-CB 4.49Å; L531-R535 PolarHBondContact N-O 3.03Å; D533-R535 PolarHBondContact O-N 3.46Å; D533-R535 WeakPolarHBondContact OD1-CB 3.49Å; D533-R535 WeakPolarHBondContact OD1-CG 3.37Å; D533-R535 PolarHBondContact OD1-N 2.85Å; D533-R535 IonicContact OD1-NE 2.79Å; D533-R535 PolarHBondContact OD1-NE 2.99Å; D533-R535 IonicContact OD2-CZ 3.87Å; D533-R535 IonicContact OD2-NE 2.73Å; D533-R535 PolarHBondContact OD2-NE 2.99Å; D533-R535 IonicContact OD2-NH2 2.93Å; D533-R535 PolarHBondContact OD2-NH2 3.01Å
536R88.9Confident90Very high42 Ų4247.4 Ų47.416%0.15826%0.258CS..EExtended strand (participates in β ladder)trans-93.4129.2175.1-161.5176.4-175.2-152.36110.1L503 L504 L506 E508 A528 F530L503-R536 PolarHBondContact O-NH1 2.99Å; L503-R536 PolarHBondContact O-NH2 2.84Å; L504-R536 HydrophobicContact CD2-CB 4.07Å; L504-R536 HydrophobicContact CD2-CG 3.97Å; L504-R536 WeakPolarHBondContact CD2-O 3.42Å; L504-R536 PolarHBondContact O-NH1 3.2Å; L504-R536 VanDerWaalsContact O-NH1 3.13Å; L506-R536 PolarHBondContact O-NH1 3.11Å; E508-R536 VanDerWaalsContact C-NH2 3.28Å; E508-R536 PolarHBondContact O-NH2 3.42Å; A528-R536 HydrophobicContact CB-CG 4.43Å; F530-R536 HydrophobicContact CD1-CB 4.18Å; F530-R536 HydrophobicContact CD1-CG 4.42Å; F530-R536 HydrophobicContact CE1-CB 4.06Å; F530-R536 HydrophobicContact CE1-CG 4.24Å; F530-R536 HydrophobicContact CZ-CG 4.42Å
537E90.8Very high89.9Confident50 Ų5054.5 Ų54.523%0.23429%0.288CS..EExtended strand (participates in β ladder)trans-134.6149.6-175.3-168.463.3-158.900110.1R500 A528 T529 L531 F539R500-E537 IonicContact CZ-OE1 3.28Å; R500-E537 IonicContact CZ-OE2 3.01Å; R500-E537 IonicContact NH1-OE1 3.17Å; R500-E537 PolarHBondContact NH1-OE1 3.46Å; R500-E537 IonicContact NH1-OE2 3.7Å; R500-E537 IonicContact NH2-OE1 3.61Å; R500-E537 PolarHBondContact NH2-OE1 3.39Å; R500-E537 IonicContact NH2-OE2 2.71Å; R500-E537 PolarHBondContact NH2-OE2 2.85Å; A528-E537 WeakPolarHBondContact CA-O 3.34Å; T529-E537 PolarHBondContact N-O 3Å; T529-E537 PolarHBondContact O-N 2.93Å; L531-E537 HydrophobicContact CD1-CB 4.06Å; L531-E537 HydrophobicContact CD2-CB 4.15Å; L531-E537 HydrophobicContact CG-CB 4.02Å; E537-F539 HydrophobicContact CB-CE2 3.9Å; E537-F539 HydrophobicContact CB-CZ 4.25Å; E537-F539 HydrophobicContact CG-CE2 3.97Å; E537-F539 HydrophobicContact CG-CZ 3.93Å
538V92.8Very high89.8Confident13 Ų1357.1 Ų57.18%0.07930%0.302CS..EExtended strand (participates in β ladder)trans-107.7126.1-179.9177.70000110.2R500 L503 L504 F527 A528R500-V538 HydrophobicContact CB-CB 4.37Å; R500-V538 HydrophobicContact CB-CG1 4.49Å; R500-V538 HydrophobicContact CB-CG2 4.5Å; R500-V538 HydrophobicContact CG-CB 4.09Å; R500-V538 HydrophobicContact CG-CG2 4.1Å; L503-V538 HydrophobicContact CB-CG2 3.86Å; L503-V538 HydrophobicContact CD1-CG1 3.72Å; L503-V538 HydrophobicContact CD1-CG2 4.38Å; L504-V538 HydrophobicContact CD2-CG2 3.95Å; L504-V538 HydrophobicContact CG-CG2 3.81Å; F527-V538 CarbonylContact O-C 3.6Å; F527-V538 WeakPolarHBondContact O-CA 3.35Å; A528-V538 HydrophobicContact CB-CG2 4.07Å
539F91Very high89.9Confident30 Ų3057.6 Ų57.613%0.13231%0.305CS..EExtended strand (participates in β ladder)trans-113128.1179.1-65.9-84.4000110.9S526 F527 T529 L531 E537 T614 V616 I619S526-F539 WeakPolarHBondContact CA-O 3.34Å; F527-F539 HydrophobicContact CD1-CB 4.32Å; F527-F539 VanDerWaalsContact CD1-O 3.29Å; F527-F539 WeakPolarHBondContact CD1-O 2.98Å; F527-F539 HydrophobicContact CE1-CB 3.72Å; F527-F539 HydrophobicContact CE2-CB 3.97Å; F527-F539 HydrophobicContact CE2-CD2 4.16Å; F527-F539 HydrophobicContact CE2-CG 4.44Å; F527-F539 HydrophobicContact CZ-CB 3.52Å; F527-F539 HydrophobicContact CZ-CD2 4.41Å; F527-F539 HydrophobicContact CZ-CG 4.24Å; F527-F539 PolarHBondContact N-O 2.98Å; F527-F539 PolarHBondContact O-N 2.98Å; T529-F539 HydrophobicContact CG2-CD2 3.76Å; T529-F539 HydrophobicContact CG2-CE2 3.65Å; L531-F539 HydrophobicContact CD2-CE2 3.9Å; L531-F539 HydrophobicContact CD2-CZ 3.77Å; E537-F539 HydrophobicContact CB-CE2 3.9Å; E537-F539 HydrophobicContact CB-CZ 4.25Å; E537-F539 HydrophobicContact CG-CE2 3.97Å; E537-F539 HydrophobicContact CG-CZ 3.93Å; F539-T614 HydrophobicContact CD1-CG2 4.02Å; F539-T614 HydrophobicContact CE1-CG2 4.18Å; F539-T614 HydrophobicContact CG-CG2 4.46Å; F539-V616 HydrophobicContact CE1-CG2 4.02Å; F539-V616 HydrophobicContact CZ-CG2 4.2Å; F539-I619 HydrophobicContact CE2-CD1 4.02Å; F539-I619 HydrophobicContact CZ-CD1 3.94Å
540P91Very high90.1Very high43 Ų4362.1 Ų62.128%0.27932%0.323SS..EExtended strand (participates in β ladder)trans-91140.7168.933.2-29.1000111.3V525V525-P540 CarbonylContact O-C 3.51Å; V525-P540 WeakPolarHBondContact O-CA 3.47Å
541L91.8Very high90.3Very high11 Ų1164 Ų646%0.05833%0.333CS..PPolyproline II helixtrans-87151.8166.6-61.1179.9000110.7S524 V525 F527 L564 M610 A612S524-L541 PolarHBondContact OG-O 3.07Å; V525-L541 HydrophobicContact CB-CB 4.25Å; V525-L541 HydrophobicContact CB-CD1 3.78Å; V525-L541 HydrophobicContact CB-CG 4.23Å; V525-L541 HydrophobicContact CG1-CD1 4.17Å; V525-L541 HydrophobicContact CG2-CD1 4.33Å; V525-L541 PolarHBondContact O-N 3.32Å; F527-L541 HydrophobicContact CD1-CG 4.37Å; F527-L541 HydrophobicContact CE1-CD2 3.85Å; F527-L541 HydrophobicContact CE1-CG 4.05Å; L541-L564 HydrophobicContact CD1-CD1 4.29Å; L541-M610 HydrophobicContact CD1-CE 3.49Å; L541-M610 VanDerWaalsContact CD1-CE 3.49Å; L541-M610 HydrophobicContact CD1-SD 3.47Å; L541-M610 WeakPolarHBondContact CD1-SD 3.1Å; L541-M610 HydrophobicContact CD2-SD 4.27Å; L541-M610 HydrophobicContact CG-SD 4.4Å; L541-A612 HydrophobicContact CD2-CB 3.36Å
542A91.3Very high90.4Very high75 Ų7564.2 Ų64.262%0.6233%0.334SS*.PPolyproline II helixtrans-55.1140.4172.100000110.3
543P94.5Very high90.7Very high26 Ų2659.3 Ų59.317%0.16932%0.317CS..PPolyproline II helixtrans-71.7147.3-175.729.3-34000112.2H519 L523H519-P543 HydrophobicContact CB-CB 4.49Å; H519-P543 HydrophobicContact CB-CG 3.97Å; H519-P543 VanDerWaalsContact CG-CG 3.46Å; L523-P543 CarbonylContact O-C 3.55Å; L523-P543 VanDerWaalsContact O-CA 3.27Å; L523-P543 WeakPolarHBondContact O-CA 3.11Å
544F94Very high90.8Very high15 Ų1555.3 Ų55.37%0.06630%0.295CS..BIsolated β-bridgetrans-106.4130.1175.9-48.1-65.5000110.3G522 L523 V525 D548 L549 L554 M610G522-F544 CarbonylContact C-O 3.58Å; G522-F544 WeakPolarHBondContact CA-O 3.42Å; L523-F544 PolarHBondContact N-O 2.82Å; L523-F544 WeakPolarHBondContact O-CD2 3.27Å; L523-F544 PolarHBondContact O-N 3.14Å; V525-F544 HydrophobicContact CG2-CE2 4.17Å; F544-D548 HydrophobicContact CB-CB 4.05Å; F544-D548 HydrophobicContact CD1-CB 4.5Å; F544-L549 HydrophobicContact CB-CD2 3.96Å; F544-L549 HydrophobicContact CB-CG 4.22Å; F544-L554 HydrophobicContact CD2-CD1 4.44Å; F544-M610 HydrophobicContact CE1-CG 4.24Å; F544-M610 HydrophobicContact CE2-CE 4.35Å; F544-M610 HydrophobicContact CZ-CE 3.9Å; F544-M610 HydrophobicContact CZ-CG 3.94Å; F544-M610 HydrophobicContact CZ-SD 4.24Å
545T94.8Very high91.1Very high38 Ų3853 Ų5323%0.23327%0.271CS..  trans-88.7173.2173.667.70000111.7G521 K547 D548 L549G521-T545 WeakPolarHBondContact O-CA 3.37Å; T545-K547 PolarHBondContact O-N 3.49Å; T545-K547 PolarHBondContact OG1-N 3.34Å; T545-D548 WeakPolarHBondContact CB-OD2 3.45Å; T545-D548 PolarHBondContact N-OD2 3.43Å; T545-D548 PolarHBondContact O-N 3.21Å; T545-D548 PolarHBondContact OG1-N 2.81Å; T545-D548 PolarHBondContact OG1-OD2 3.24Å; T545-L549 WeakPolarHBondContact O-CG 3.46Å; T545-L549 PolarHBondContact O-N 3.49Å
546A93Very high91Very high21 Ų2146.4 Ų46.417%0.17425%0.249CC..Hα-helixtrans-56.5-35.1174.400000112.6L476 K480 L549 E550L476-A546 HydrophobicContact CD1-CB 3.88Å; K480-A546 WeakPolarHBondContact CE-O 3.42Å; K480-A546 HydrophobicContact CG-CB 4.44Å; A546-L549 PolarHBondContact O-N 3.14Å; A546-E550 PolarHBondContact O-N 3.43Å
547K91.9Very high91Very high152 Ų15246 Ų4666%0.66125%0.247SC*.Hα-helixtrans-66.1-43.6175.1-67.8-177.1178.4-179.30111.2T545 L549 E550 H551T545-K547 PolarHBondContact O-N 3.49Å; T545-K547 PolarHBondContact OG1-N 3.34Å; K547-L549 VanDerWaalsContact C-N 3.31Å; K547-L549 PolarHBondContact O-N 2.75Å; K547-E550 WeakPolarHBondContact O-CB 3.22Å; K547-E550 PolarHBondContact O-N 2.75Å; K547-H551 PolarHBondContact O-N 3.39Å; K547-H551 PolarHBondContact O-ND1 2.97Å
548D92.7Very high91Very high60 Ų6043.6 Ų43.632%0.32124%0.236SC..Hα-helixtrans-63.6-40.7177.8-57.7-54.7000111.4F544 T545 E550 H551 L552 R557F544-D548 HydrophobicContact CB-CB 4.05Å; F544-D548 HydrophobicContact CD1-CB 4.5Å; T545-D548 WeakPolarHBondContact CB-OD2 3.45Å; T545-D548 PolarHBondContact N-OD2 3.43Å; T545-D548 PolarHBondContact O-N 3.21Å; T545-D548 PolarHBondContact OG1-N 2.81Å; T545-D548 PolarHBondContact OG1-OD2 3.24Å; D548-E550 PolarHBondContact O-N 2.99Å; D548-H551 PolarHBondContact O-N 3.47Å; D548-L552 PolarHBondContact O-N 2.93Å; D548-L552 VanDerWaalsContact O-N 3.11Å; D548-R557 PolarHBondContact O-NH2 2.86Å
549L92.1Very high90.7Very high9 Ų944.7 Ų44.75%0.04725%0.246CC..Hα-helixtrans-72.5-16.7178-64-176.7000113.7L476 K480 L481 F544 T545 A546 K547 L552 L554L476-L549 HydrophobicContact CD1-CD1 3.95Å; K480-L549 HydrophobicContact CB-CB 4.36Å; K480-L549 HydrophobicContact CB-CD1 3.9Å; K480-L549 HydrophobicContact CD-CB 4.35Å; K480-L549 HydrophobicContact CG-CB 4.11Å; K480-L549 HydrophobicContact CG-CD1 4.36Å; L481-L549 HydrophobicContact CD2-CD1 3.88Å; L481-L549 HydrophobicContact CG-CD1 4.42Å; F544-L549 HydrophobicContact CB-CD2 3.96Å; F544-L549 HydrophobicContact CB-CG 4.22Å; T545-L549 WeakPolarHBondContact O-CG 3.46Å; T545-L549 PolarHBondContact O-N 3.49Å; A546-L549 PolarHBondContact O-N 3.14Å; K547-L549 VanDerWaalsContact C-N 3.31Å; K547-L549 PolarHBondContact O-N 2.75Å; L549-L552 WeakPolarHBondContact CA-O 3.37Å; L549-L552 CarbonylContact O-C 3.59Å; L549-L554 HydrophobicContact CD2-CB 4.08Å; L549-L554 HydrophobicContact CD2-CD1 4.39Å
550E90Very high90.4Very high137 Ų13746.6 Ų46.664%0.6425%0.253SS*.Hα-helixtrans-76.6-39.1171-173.9163.4-140.500112A546 K547 D548A546-E550 PolarHBondContact O-N 3.43Å; K547-E550 WeakPolarHBondContact O-CB 3.22Å; K547-E550 PolarHBondContact O-N 2.75Å; D548-E550 PolarHBondContact O-N 2.99Å
551H87.8Confident90.3Very high149 Ų14944.5 Ų44.569%0.6924%0.239SC*.Hα-helixtrans-71.4-39.6176.3-67.881.4000112.3K547 D548K547-H551 PolarHBondContact O-N 3.39Å; K547-H551 PolarHBondContact O-ND1 2.97Å; D548-H551 PolarHBondContact O-N 3.47Å
552L86.1Confident90.1Very high28 Ų2846.5 Ų46.515%0.14725%0.253CS..SBendtrans-148.7120.4175-174.566.7000109.1D548 L549 P556 R557 L608D548-L552 PolarHBondContact O-N 2.93Å; D548-L552 VanDerWaalsContact O-N 3.11Å; L549-L552 WeakPolarHBondContact CA-O 3.37Å; L549-L552 CarbonylContact O-C 3.59Å; L552-P556 HydrophobicContact CD1-CB 3.91Å; L552-P556 HydrophobicContact CD1-CG 4.28Å; L552-P556 HydrophobicContact CG-CB 4.42Å; L552-R557 HydrophobicContact CB-CG 4.45Å; L552-R557 HydrophobicContact CD2-CG 3.6Å; L552-R557 HydrophobicContact CG-CG 3.88Å; L552-R557 PolarHBondContact O-NE 3.31Å; L552-L608 HydrophobicContact CD2-CB 4.34Å
553S88.5Confident90Very high48 Ų4844.5 Ų44.534%0.33623%0.231SC..  trans-62.3166.8-178.259.10000112.3G555 P556 R557 E586S553-G555 VanDerWaalsContact C-N 3.31Å; S553-G555 PolarHBondContact O-N 3.24Å; S553-P556 WeakPolarHBondContact O-CD 3.48Å; S553-P556 WeakPolarHBondContact OG-CD 3.29Å; S553-P556 WeakPolarHBondContact OG-CG 3.35Å; S553-R557 WeakPolarHBondContact O-CG 3.37Å; S553-E586 WeakPolarHBondContact CB-OE1 3.46Å; S553-E586 PolarHBondContact OG-OE1 3.19Å
554L91.1Very high89.8Confident9 Ų943.3 Ų43.35%0.04722%0.223CC..Hα-helixtrans-66-34.4-177-174.262.7000112.4L481 L484 L513 L523 F544 L549 R557 I558L481-L554 HydrophobicContact CD2-CD2 4.06Å; L484-L554 HydrophobicContact CD1-CD2 3.63Å; L513-L554 HydrophobicContact CD1-CD2 3.91Å; L513-L554 HydrophobicContact CD2-CD2 4.4Å; L523-L554 HydrophobicContact CD2-CD1 4.01Å; L523-L554 HydrophobicContact CD2-CD2 3.58Å; L523-L554 HydrophobicContact CD2-CG 4.44Å; F544-L554 HydrophobicContact CD2-CD1 4.44Å; L549-L554 HydrophobicContact CD2-CB 4.08Å; L549-L554 HydrophobicContact CD2-CD1 4.39Å; L554-R557 WeakPolarHBondContact O-CB 3.27Å; L554-R557 PolarHBondContact O-N 2.95Å; L554-I558 HydrophobicContact CD1-CD1 3.87Å; L554-I558 HydrophobicContact CD1-CG1 4.18Å; L554-I558 HydrophobicContact CD2-CD1 4.16Å; L554-I558 HydrophobicContact CG-CD1 3.67Å; L554-I558 HydrophobicContact CG-CG1 4.32Å; L554-I558 WeakPolarHBondContact O-CG1 3.45Å; L554-I558 PolarHBondContact O-N 3.37Å
555G90Very high89.5Confident2 Ų247.3 Ų47.32%0.02124%0.244CC..Hα-helixtrans-61.5-55.2-177.600000113.6S553 R557 I558 A559 F583 E586S553-G555 VanDerWaalsContact C-N 3.31Å; S553-G555 PolarHBondContact O-N 3.24Å; G555-R557 VanDerWaalsContact C-N 3.25Å; G555-R557 PolarHBondContact O-N 2.83Å; G555-I558 PolarHBondContact O-N 3.26Å; G555-I558 VanDerWaalsContact O-N 3.09Å; G555-A559 WeakPolarHBondContact O-CB 3.48Å; G555-A559 PolarHBondContact O-N 3.3Å; G555-F583 WeakPolarHBondContact O-CE1 3.25Å; G555-E586 VanDerWaalsContact CA-OE2 3.28Å; G555-E586 WeakPolarHBondContact CA-OE2 3.5Å; G555-E586 PolarHBondContact N-OE1 3.06Å
556P86.4Confident89.1Confident17 Ų1753.7 Ų53.711%0.1127%0.271CS..Hα-helixtrans-66.2-31.7-178.7-22.236.7000111.4L552 S553 A559 R560 E586L552-P556 HydrophobicContact CD1-CB 3.91Å; L552-P556 HydrophobicContact CD1-CG 4.28Å; L552-P556 HydrophobicContact CG-CB 4.42Å; S553-P556 WeakPolarHBondContact O-CD 3.48Å; S553-P556 WeakPolarHBondContact OG-CD 3.29Å; S553-P556 WeakPolarHBondContact OG-CG 3.35Å; P556-A559 PolarHBondContact O-N 2.73Å; P556-R560 WeakPolarHBondContact O-CB 3.38Å; P556-R560 WeakPolarHBondContact O-CG 3.36Å; P556-R560 PolarHBondContact O-N 3.08Å; P556-E586 VanDerWaalsContact CD-OE1 3.25Å; P556-E586 WeakPolarHBondContact CD-OE1 3.41Å; P556-E586 VanDerWaalsContact CD-OE2 3.22Å; P556-E586 WeakPolarHBondContact CD-OE2 3.21Å
557R89.8Confident89Confident32 Ų3253 Ų5312%0.12127%0.265CS..Hα-helixtrans-57.5-50.7171.4-71.6174.7-177.2-83.5-0.1110.9D548 L552 S553 L554 G555 C561 M610D548-R557 PolarHBondContact O-NH2 2.86Å; L552-R557 HydrophobicContact CB-CG 4.45Å; L552-R557 HydrophobicContact CD2-CG 3.6Å; L552-R557 HydrophobicContact CG-CG 3.88Å; L552-R557 PolarHBondContact O-NE 3.31Å; S553-R557 WeakPolarHBondContact O-CG 3.37Å; L554-R557 WeakPolarHBondContact O-CB 3.27Å; L554-R557 PolarHBondContact O-N 2.95Å; G555-R557 VanDerWaalsContact C-N 3.25Å; G555-R557 PolarHBondContact O-N 2.83Å; R557-C561 WeakPolarHBondContact O-CB 3.49Å; R557-C561 PolarHBondContact O-N 2.98Å; R557-C561 VanDerWaalsContact O-N 3.11Å; R557-M610 HydrophobicContact CB-CE 4.04Å
558I91.3Very high89Confident0 Ų052.5 Ų52.50%027%0.265CS..Hα-helixtrans-71.3-37.6-179.4-68.9173.4000111.9F511 L513 L554 G555 L564 K579 I582 F583F511-I558 HydrophobicContact CE1-CG2 4.37Å; F511-I558 HydrophobicContact CE2-CD1 3.98Å; F511-I558 HydrophobicContact CE2-CG2 4.25Å; F511-I558 HydrophobicContact CZ-CD1 4.37Å; F511-I558 HydrophobicContact CZ-CG2 3.76Å; L513-I558 HydrophobicContact CD2-CD1 4.08Å; L554-I558 HydrophobicContact CD1-CD1 3.87Å; L554-I558 HydrophobicContact CD1-CG1 4.18Å; L554-I558 HydrophobicContact CD2-CD1 4.16Å; L554-I558 HydrophobicContact CG-CD1 3.67Å; L554-I558 HydrophobicContact CG-CG1 4.32Å; L554-I558 WeakPolarHBondContact O-CG1 3.45Å; L554-I558 PolarHBondContact O-N 3.37Å; G555-I558 PolarHBondContact O-N 3.26Å; G555-I558 VanDerWaalsContact O-N 3.09Å; I558-L564 HydrophobicContact CB-CD1 4.47Å; I558-L564 HydrophobicContact CG1-CD1 4.37Å; I558-L564 HydrophobicContact CG2-CD1 4.23Å; I558-K579 HydrophobicContact CG2-CD 4.33Å; I558-K579 VanDerWaalsContact CG2-CE 3.5Å; I558-K579 HydrophobicContact CG2-CG 4.28Å; I558-K579 WeakPolarHBondContact O-CE 3.35Å; I558-K579 PolarHBondContact O-NZ 3.25Å; I558-I582 HydrophobicContact CD1-CD1 3.82Å; I558-I582 HydrophobicContact CD1-CG2 4.26Å; I558-F583 HydrophobicContact CB-CE1 4.13Å; I558-F583 HydrophobicContact CB-CZ 4.43Å; I558-F583 HydrophobicContact CG2-CE1 4.09Å; I558-F583 HydrophobicContact CG2-CZ 3.92Å
559A86.3Confident89Confident37 Ų3751.8 Ų51.831%0.30626%0.259SS..Hα-helixtrans-66.8-37-178.500000112.4G555 P556 L565 F583G555-A559 WeakPolarHBondContact O-CB 3.48Å; G555-A559 PolarHBondContact O-N 3.3Å; P556-A559 PolarHBondContact O-N 2.73Å; A559-L565 WeakPolarHBondContact O-CD2 3.41Å; A559-F583 HydrophobicContact CB-CD1 4.22Å; A559-F583 HydrophobicContact CB-CE1 3.7Å; A559-F583 HydrophobicContact CB-CE2 4.47Å; A559-F583 HydrophobicContact CB-CZ 3.82Å
560R84.7Confident89.2Confident69 Ų6951.3 Ų51.326%0.2626%0.257SS..Hα-helixtrans-104.8-5.2-172.7-61.1-177.4177.7142.7-14.5114.7P556 P562 E607 I609P556-R560 WeakPolarHBondContact O-CB 3.38Å; P556-R560 WeakPolarHBondContact O-CG 3.36Å; P556-R560 PolarHBondContact O-N 3.08Å; R560-P562 WeakPolarHBondContact O-CD 3.47Å; R560-E607 IonicContact CZ-OE1 3Å; R560-E607 IonicContact CZ-OE2 3.11Å; R560-E607 IonicContact NE-OE2 3.83Å; R560-E607 PolarHBondContact NE-OE2 3.17Å; R560-E607 IonicContact NH1-OE1 2.69Å; R560-E607 PolarHBondContact NH1-OE1 2.87Å; R560-E607 IonicContact NH1-OE2 3.72Å; R560-E607 PolarHBondContact NH1-OE2 3.07Å; R560-E607 IonicContact NH2-OE1 2.9Å; R560-E607 PolarHBondContact NH2-OE1 2.77Å; R560-E607 IonicContact NH2-OE2 3.12Å; R560-E607 PolarHBondContact NH2-OE2 3.49Å; R560-I609 HydrophobicContact CB-CG2 4.11Å; R560-I609 WeakPolarHBondContact O-CG2 3.31Å
561C88.5Confident89.4Confident0 Ų046.7 Ų46.70%023%0.234CC..  trans-64.7116.2175.5178.10000109.4R557 Q563 L564 L565 M610R557-C561 WeakPolarHBondContact O-CB 3.49Å; R557-C561 PolarHBondContact O-N 2.98Å; R557-C561 VanDerWaalsContact O-N 3.11Å; C561-Q563 PolarHBondContact O-N 3.27Å; C561-Q563 PolarHBondContact SG-OE1 3.09Å; C561-L564 HydrophobicContact CB-CB 4.11Å; C561-L564 HydrophobicContact CB-CD1 3.95Å; C561-L564 HydrophobicContact CB-CG 4.05Å; C561-L564 PolarHBondContact O-N 3.13Å; C561-L565 PolarHBondContact O-N 2.81Å; C561-M610 WeakPolarHBondContact CA-O 3.4Å; C561-M610 HydrophobicContact CB-CE 3.71Å; C561-M610 HydrophobicContact CB-SD 3.99Å
562P87.9Confident89.8Confident53 Ų5339.6 Ų39.634%0.34420%0.201SC..G310 helixtrans-53.6-40.6-177-28.236.4000112.5R560 L564 L565 M610 V611R560-P562 WeakPolarHBondContact O-CD 3.47Å; P562-L564 PolarHBondContact O-N 2.71Å; P562-L565 WeakPolarHBondContact O-CB 3.42Å; P562-L565 PolarHBondContact O-N 3.25Å; P562-M610 WeakPolarHBondContact CD-O 3.48Å; P562-V611 HydrophobicContact CG-CG2 4.34Å
563Q87.9Confident90.1Very high33 Ų3339.3 Ų39.315%0.15420%0.201CC..G310 helixtrans-69.7-16.4-178.6-61829.300113.9F527 C561 A612F527-Q563 HydrophobicContact CE1-CB 4.26Å; F527-Q563 HydrophobicContact CE2-CB 3.88Å; F527-Q563 HydrophobicContact CZ-CB 3.57Å; F527-Q563 HydrophobicContact CZ-CG 4.15Å; C561-Q563 PolarHBondContact O-N 3.27Å; C561-Q563 PolarHBondContact SG-OE1 3.09Å; Q563-A612 HydrophobicContact CB-CB 4.49Å; Q563-A612 VanDerWaalsContact CD-CB 3.42Å; Q563-A612 HydrophobicContact CG-CB 3.76Å; Q563-A612 PolarHBondContact NE2-O 3.11Å
564L90.4Very high90.2Very high0 Ų044.7 Ų44.70%022%0.221CC..G310 helixtrans-103.5-5.9177.9-61.2178000112.3F511 V525 F527 L541 I558 C561 P562 H566 I567 K579F511-L564 HydrophobicContact CB-CD2 4.14Å; F511-L564 HydrophobicContact CG-CD2 4.35Å; V525-L564 HydrophobicContact CG1-CD1 4.05Å; V525-L564 HydrophobicContact CG1-CD2 4.46Å; F527-L564 HydrophobicContact CB-CD2 3.61Å; F527-L564 HydrophobicContact CD1-CD2 3.8Å; F527-L564 HydrophobicContact CD2-CD2 4.34Å; F527-L564 HydrophobicContact CG-CD2 3.67Å; L541-L564 HydrophobicContact CD1-CD1 4.29Å; I558-L564 HydrophobicContact CB-CD1 4.47Å; I558-L564 HydrophobicContact CG1-CD1 4.37Å; I558-L564 HydrophobicContact CG2-CD1 4.23Å; C561-L564 HydrophobicContact CB-CB 4.11Å; C561-L564 HydrophobicContact CB-CD1 3.95Å; C561-L564 HydrophobicContact CB-CG 4.05Å; C561-L564 PolarHBondContact O-N 3.13Å; P562-L564 PolarHBondContact O-N 2.71Å; L564-H566 VanDerWaalsContact C-N 3.3Å; L564-H566 PolarHBondContact O-N 3.29Å; L564-I567 HydrophobicContact CD2-CD1 3.97Å; L564-I567 PolarHBondContact O-N 3.23Å; L564-I567 VanDerWaalsContact O-N 3.11Å; L564-K579 PolarHBondContact O-NZ 2.78Å
565L87.6Confident90.2Very high99 Ų9952.1 Ų52.152%0.51825%0.249SC..THydrogen-bonded Turntrans-56-43.5-172.9-73.8175000112.6A559 C561 P562 I567A559-L565 WeakPolarHBondContact O-CD2 3.41Å; C561-L565 PolarHBondContact O-N 2.81Å; P562-L565 WeakPolarHBondContact O-CB 3.42Å; P562-L565 PolarHBondContact O-N 3.25Å; L565-I567 VanDerWaalsContact C-N 3.34Å
566H87.6Confident90.4Very high173 Ų17354.3 Ų54.380%0.80126%0.263SS*.THydrogen-bonded Turntrans-88.12.5-177.4-55-62000114.4L564L564-H566 VanDerWaalsContact C-N 3.3Å; L564-H566 PolarHBondContact O-N 3.29Å
567I91Very high90.8Very high7 Ų755.2 Ų55.24%0.03627%0.265CS..  trans-97.4113.2179.6-56.3-173.2000108S509 F511 F527 L564 L565 K579S509-I567 WeakPolarHBondContact O-CG2 3.46Å; F511-I567 HydrophobicContact CD1-CB 4.48Å; F511-I567 HydrophobicContact CD1-CG2 3.73Å; F527-I567 HydrophobicContact CB-CD1 3.68Å; F527-I567 HydrophobicContact CD2-CD1 3.86Å; F527-I567 HydrophobicContact CG-CD1 4.13Å; L564-I567 HydrophobicContact CD2-CD1 3.97Å; L564-I567 PolarHBondContact O-N 3.23Å; L564-I567 VanDerWaalsContact O-N 3.11Å; L565-I567 VanDerWaalsContact C-N 3.34Å; I567-K579 WeakPolarHBondContact O-CD 3.39Å
568E90.8Very high91Very high141 Ų14159.5 Ų59.566%0.65929%0.286SS*.  trans-91.9-16.7-173.6-63.9-170.9162.900113.7K579E568-K579 WeakPolarHBondContact O-CB 3.07Å; E568-K579 PolarHBondContact O-N 3.23Å
569H93.7Very high91Very high44 Ų4460.4 Ų60.420%0.20429%0.291CS..EExtended strand (participates in β ladder)trans-120.9143.4-173.2-64.1114.8000113.3E508 C510 F511 F577E508-H569 IonicContact OE2-CE1 3.18Å; E508-H569 PolarHBondContact OE2-CE1 3.14Å; E508-H569 IonicContact OE2-CG 3.63Å; E508-H569 IonicContact OE2-ND1 2.75Å; E508-H569 PolarHBondContact OE2-ND1 2.68Å; C510-H569 WeakPolarHBondContact CA-O 3.28Å; F511-H569 VanDerWaalsContact CD1-O 3.25Å; F511-H569 WeakPolarHBondContact CD1-O 3.4Å; F511-H569 PolarHBondContact N-O 3.23Å; F511-H569 VanDerWaalsContact N-O 3.14Å; H569-F577 CarbonylContact C-O 3.31Å; H569-F577 WeakPolarHBondContact CA-O 3.48Å
570V95.1Very high91.1Very high0 Ų061.6 Ų61.60%030%0.296CS..EExtended strand (participates in β ladder)trans-111127168.361.70000109.5L489 F511 G572 C576 F577 I582L489-V570 HydrophobicContact CD2-CG1 4.14Å; F511-V570 HydrophobicContact CD1-CB 4.4Å; F511-V570 HydrophobicContact CD2-CB 4.4Å; F511-V570 HydrophobicContact CD2-CG2 3.94Å; F511-V570 HydrophobicContact CE1-CB 3.84Å; F511-V570 HydrophobicContact CE1-CG2 4.39Å; F511-V570 HydrophobicContact CE2-CB 3.86Å; F511-V570 HydrophobicContact CE2-CG2 3.51Å; F511-V570 HydrophobicContact CZ-CB 3.57Å; F511-V570 HydrophobicContact CZ-CG2 3.79Å; F511-V570 CarbonylContact O-C 3.58Å; F511-V570 VanDerWaalsContact O-CA 3.29Å; F511-V570 WeakPolarHBondContact O-CA 3.18Å; V570-G572 PolarHBondContact O-N 2.99Å; V570-C576 CarbonylContact O-C 3.55Å; V570-C576 WeakPolarHBondContact O-CA 3.48Å; V570-F577 HydrophobicContact CG1-CB 3.93Å; V570-F577 PolarHBondContact N-O 2.84Å; V570-F577 PolarHBondContact O-N 2.94Å; V570-I582 HydrophobicContact CB-CD1 4.38Å; V570-I582 HydrophobicContact CG1-CD1 4.27Å; V570-I582 HydrophobicContact CG1-CG1 4.5Å; V570-I582 HydrophobicContact CG2-CD1 4.37Å
571Y95.9Very high91.4Very high40 Ų4059.3 Ų59.316%0.15729%0.29CS..EExtended strand (participates in β ladder)trans-81.9114169.5-166.4-78.5000108.9L502 L506 F511 L512L502-Y571 HydrophobicContact CD1-CE1 4.47Å; L502-Y571 HydrophobicContact CD1-CE2 4.27Å; L502-Y571 HydrophobicContact CD2-CD1 3.8Å; L502-Y571 HydrophobicContact CD2-CE1 3.69Å; L502-Y571 HydrophobicContact CD2-CG 4.39Å; L506-Y571 HydrophobicContact CD1-CD2 3.64Å; L506-Y571 HydrophobicContact CD1-CE2 4.41Å; L506-Y571 HydrophobicContact CD1-CG 4.25Å; L506-Y571 HydrophobicContact CD2-CD2 4.01Å; L506-Y571 HydrophobicContact CD2-CE2 4.01Å; L506-Y571 HydrophobicContact CG-CD2 4.44Å; F511-Y571 PolarHBondContact O-N 3.07Å; L512-Y571 WeakPolarHBondContact CB-O 3.43Å
572G94.8Very high91.3Very high0 Ų059.6 Ų59.60%029%0.292CS..  trans-89.3-142.4-18000000112.8G488 R491 V570 R575G488-G572 CarbonylContact O-C 3.6Å; G488-G572 WeakPolarHBondContact O-CA 3.48Å; R491-G572 WeakPolarHBondContact CB-O 3.23Å; R491-G572 WeakPolarHBondContact CD-O 3.37Å; V570-G572 PolarHBondContact O-N 2.99Å; G572-R575 PolarHBondContact N-O 3.46Å
573S92.9Very high91.2Very high22 Ų2259.2 Ų59.215%0.15429%0.285CS..SBendtrans-64.8-48.4179.350.50000112.8R420 G488R420-S573 VanDerWaalsContact CZ-CB 3.47Å; G488-S573 WeakPolarHBondContact CA-OG 3.32Å; G488-S573 PolarHBondContact O-N 3.23Å; G488-S573 PolarHBondContact O-OG 2.75Å; G488-S573 VanDerWaalsContact O-OG 3.13Å
574E90.1Very high90.7Very high161 Ų16163.2 Ų63.275%0.75230%0.298SS*.SBendtrans-130.6-14.2-172-63.3-177.8177.800114.1
575R92.6Very high89.8Confident165 Ų16568 Ų6862%0.62332%0.321SS*.SBendtrans-155.2170.3-175.165.4179-178.2-176.1-1.5112.6G572 F577G572-R575 PolarHBondContact N-O 3.46Å; R575-F577 HydrophobicContact CG-CD2 4.29Å; R575-F577 HydrophobicContact CG-CE1 4.32Å; R575-F577 HydrophobicContact CG-CE2 3.67Å; R575-F577 HydrophobicContact CG-CZ 3.7Å; R575-F577 VanDerWaalsContact O-CD2 3.27Å; R575-F577 WeakPolarHBondContact O-CD2 3.33Å; R575-F577 VanDerWaalsContact O-CE2 3.27Å; R575-F577 WeakPolarHBondContact O-CE2 3.35Å
576C93.4Very high89Confident48 Ų4865.3 Ų65.332%0.32431%0.306SS..EExtended strand (participates in β ladder)trans-74.9145.6167.5-64.10000111.5V570V570-C576 CarbonylContact O-C 3.55Å; V570-C576 WeakPolarHBondContact O-CA 3.48Å
577F94.2Very high87.9Confident36 Ų3659.5 Ų59.516%0.15829%0.288CS..EExtended strand (participates in β ladder)trans-130.5154.9172.3-59.1-100.4000108.7L489 H569 V570 R575 K579L489-F577 HydrophobicContact CD2-CB 3.74Å; L489-F577 HydrophobicContact CD2-CD1 3.95Å; L489-F577 HydrophobicContact CD2-CD2 3.88Å; L489-F577 HydrophobicContact CD2-CE1 4.49Å; L489-F577 HydrophobicContact CD2-CE2 4.45Å; L489-F577 HydrophobicContact CD2-CG 3.6Å; H569-F577 CarbonylContact C-O 3.31Å; H569-F577 WeakPolarHBondContact CA-O 3.48Å; V570-F577 HydrophobicContact CG1-CB 3.93Å; V570-F577 PolarHBondContact N-O 2.84Å; V570-F577 PolarHBondContact O-N 2.94Å; R575-F577 HydrophobicContact CG-CD2 4.29Å; R575-F577 HydrophobicContact CG-CE1 4.32Å; R575-F577 HydrophobicContact CG-CE2 3.67Å; R575-F577 HydrophobicContact CG-CZ 3.7Å; R575-F577 VanDerWaalsContact O-CD2 3.27Å; R575-F577 WeakPolarHBondContact O-CD2 3.33Å; R575-F577 VanDerWaalsContact O-CE2 3.27Å; R575-F577 WeakPolarHBondContact O-CE2 3.35Å; F577-K579 PolarHBondContact O-N 3.28Å
578E93.5Very high86.7Confident121 Ų12164.6 Ų64.657%0.56531%0.311SS*.EExtended strand (participates in β ladder)trans-61.6136168.5-69.1-173.3-174.500110.8S580 V581E578-S580 WeakPolarHBondContact CB-OG 3.28Å; E578-S580 PolarHBondContact O-N 2.66Å; E578-S580 VanDerWaalsContact O-N 3.15Å; E578-S580 PolarHBondContact OE2-OG 2.76Å; E578-V581 HydrophobicContact CB-CG2 4.31Å; E578-V581 WeakPolarHBondContact O-CB 3.42Å; E578-V581 WeakPolarHBondContact O-CG2 3.22Å; E578-V581 PolarHBondContact O-N 3.03Å; E578-V581 VanDerWaalsContact O-N 3.12Å
579K91.5Very high85.4Confident20 Ų2063.8 Ų63.89%0.08731%0.309CS..G310 helixtrans-56.2-31.1175.9177179.1172.6-168.10111.8F511 I558 L564 I567 E568 F577 V581 I582 F583F511-K579 HydrophobicContact CE1-CB 4.16Å; F511-K579 HydrophobicContact CE1-CD 3.91Å; F511-K579 HydrophobicContact CE1-CG 3.83Å; F511-K579 HydrophobicContact CZ-CG 4.11Å; I558-K579 HydrophobicContact CG2-CD 4.33Å; I558-K579 VanDerWaalsContact CG2-CE 3.5Å; I558-K579 HydrophobicContact CG2-CG 4.28Å; I558-K579 WeakPolarHBondContact O-CE 3.35Å; I558-K579 PolarHBondContact O-NZ 3.25Å; L564-K579 PolarHBondContact O-NZ 2.78Å; I567-K579 WeakPolarHBondContact O-CD 3.39Å; E568-K579 WeakPolarHBondContact O-CB 3.07Å; E568-K579 PolarHBondContact O-N 3.23Å; F577-K579 PolarHBondContact O-N 3.28Å; K579-V581 PolarHBondContact O-N 3.09Å; K579-V581 VanDerWaalsContact O-N 3.15Å; K579-I582 WeakPolarHBondContact O-CB 3.38Å; K579-I582 PolarHBondContact O-N 3.22Å; K579-I582 VanDerWaalsContact O-N 3.15Å; K579-F583 HydrophobicContact CD-CZ 4.37Å; K579-F583 HydrophobicContact CG-CE2 3.84Å; K579-F583 HydrophobicContact CG-CZ 3.81Å; K579-F583 WeakPolarHBondContact O-CE2 3.47Å
580S89.3Confident83.7Confident61 Ų6169.3 Ų69.343%0.42733%0.328SS..G310 helixtrans-52.9-32.4177.565.80000113.2E578 I582 F583E578-S580 WeakPolarHBondContact CB-OG 3.28Å; E578-S580 PolarHBondContact O-N 2.66Å; E578-S580 VanDerWaalsContact O-N 3.15Å; E578-S580 PolarHBondContact OE2-OG 2.76Å; S580-I582 PolarHBondContact O-N 3.28Å; S580-F583 PolarHBondContact O-N 3.4Å; S580-F583 VanDerWaalsContact O-N 3.08Å
581V89.9Confident81.8Confident22 Ų2277.4 Ų77.413%0.13337%0.365CS..G310 helixtrans-63.6-28.2-177.5-176.10000112.3R483 L489 E578 K579 F583R483-V581 PolarHBondContact NH2-O 3.11Å; R483-V581 VanDerWaalsContact NH2-O 3.15Å; L489-V581 HydrophobicContact CD1-CG1 3.92Å; L489-V581 HydrophobicContact CD2-CB 4.46Å; L489-V581 HydrophobicContact CD2-CG1 4.19Å; E578-V581 HydrophobicContact CB-CG2 4.31Å; E578-V581 WeakPolarHBondContact O-CB 3.42Å; E578-V581 WeakPolarHBondContact O-CG2 3.22Å; E578-V581 PolarHBondContact O-N 3.03Å; E578-V581 VanDerWaalsContact O-N 3.12Å; K579-V581 PolarHBondContact O-N 3.09Å; K579-V581 VanDerWaalsContact O-N 3.15Å; V581-F583 VanDerWaalsContact C-N 3.26Å; V581-F583 PolarHBondContact O-N 3.47Å
582I88.2Confident79.6Confident6 Ų684.5 Ų84.53%0.03140%0.397CS..G310 helixtrans-63.8-35.3176.9-62.6-177.1000110.9R483 L484 L489 F511 I558 V570 K579 S580R483-I582 PolarHBondContact NH2-O 3.24Å; L484-I582 HydrophobicContact CD2-CG2 4.46Å; L489-I582 HydrophobicContact CD1-CG1 4.45Å; F511-I582 HydrophobicContact CE2-CD1 3.88Å; F511-I582 HydrophobicContact CZ-CD1 3.57Å; I558-I582 HydrophobicContact CD1-CD1 3.82Å; I558-I582 HydrophobicContact CD1-CG2 4.26Å; V570-I582 HydrophobicContact CB-CD1 4.38Å; V570-I582 HydrophobicContact CG1-CD1 4.27Å; V570-I582 HydrophobicContact CG1-CG1 4.5Å; V570-I582 HydrophobicContact CG2-CD1 4.37Å; K579-I582 WeakPolarHBondContact O-CB 3.38Å; K579-I582 PolarHBondContact O-N 3.22Å; K579-I582 VanDerWaalsContact O-N 3.15Å; S580-I582 PolarHBondContact O-N 3.28Å
583F84.5Confident77.4Confident45 Ų4589 Ų8920%0.19743%0.428CS..G310 helixtrans-88.6-5.1-171.9-43.7-53.7000114.2G555 I558 A559 K579 S580 V581 Q585 E586 A587G555-F583 WeakPolarHBondContact O-CE1 3.25Å; I558-F583 HydrophobicContact CB-CE1 4.13Å; I558-F583 HydrophobicContact CB-CZ 4.43Å; I558-F583 HydrophobicContact CG2-CE1 4.09Å; I558-F583 HydrophobicContact CG2-CZ 3.92Å; A559-F583 HydrophobicContact CB-CD1 4.22Å; A559-F583 HydrophobicContact CB-CE1 3.7Å; A559-F583 HydrophobicContact CB-CE2 4.47Å; A559-F583 HydrophobicContact CB-CZ 3.82Å; K579-F583 HydrophobicContact CD-CZ 4.37Å; K579-F583 HydrophobicContact CG-CE2 3.84Å; K579-F583 HydrophobicContact CG-CZ 3.81Å; K579-F583 WeakPolarHBondContact O-CE2 3.47Å; S580-F583 PolarHBondContact O-N 3.4Å; S580-F583 VanDerWaalsContact O-N 3.08Å; V581-F583 VanDerWaalsContact C-N 3.26Å; V581-F583 PolarHBondContact O-N 3.47Å; F583-Q585 VanDerWaalsContact C-N 3.3Å; F583-Q585 PolarHBondContact O-N 3.03Å; F583-E586 PolarHBondContact O-N 3.41Å; F583-A587 PolarHBondContact O-N 3.25Å
584R77.8Confident75.3Confident117 Ų11797 Ų9744%0.44246%0.463SS..Hα-helixtrans-49.3-49.2-172.6-172.9-177.4-68.4145.3-2.4112.9E487 E586 A587 E588E487-R584 IonicContact OE2-NH1 3.77Å; R584-E586 VanDerWaalsContact C-N 3.32Å; R584-E586 PolarHBondContact O-N 2.79Å; R584-A587 PolarHBondContact O-N 3.41Å; R584-E588 WeakPolarHBondContact CG-OE1 2.97Å; R584-E588 WeakPolarHBondContact O-CG 3.41Å; R584-E588 PolarHBondContact O-N 3.18Å
585Q72Confident73.5Confident101 Ų10194.1 Ų94.147%0.47247%0.467SS..Hα-helixtrans-66.8-32.5-177.5-160.6172.318.100113.1F583 M589F583-Q585 VanDerWaalsContact C-N 3.3Å; F583-Q585 PolarHBondContact O-N 3.03Å; Q585-M589 WeakPolarHBondContact O-CG 3.47Å; Q585-M589 PolarHBondContact O-N 3.43Å; Q585-M589 VanDerWaalsContact O-N 3.07Å
586E69.6Low71.6Confident42 Ų4292 Ų9220%0.19647%0.472CS..Hα-helixtrans-78.1-36.2178.2-70.7165.7-177.900111.7S553 G555 P556 F583 R584 E588 M589 R590S553-E586 WeakPolarHBondContact CB-OE1 3.46Å; S553-E586 PolarHBondContact OG-OE1 3.19Å; G555-E586 VanDerWaalsContact CA-OE2 3.28Å; G555-E586 WeakPolarHBondContact CA-OE2 3.5Å; G555-E586 PolarHBondContact N-OE1 3.06Å; P556-E586 VanDerWaalsContact CD-OE1 3.25Å; P556-E586 WeakPolarHBondContact CD-OE1 3.41Å; P556-E586 VanDerWaalsContact CD-OE2 3.22Å; P556-E586 WeakPolarHBondContact CD-OE2 3.21Å; F583-E586 PolarHBondContact O-N 3.41Å; R584-E586 VanDerWaalsContact C-N 3.32Å; R584-E586 PolarHBondContact O-N 2.79Å; E586-E588 VanDerWaalsContact C-N 3.31Å; E586-M589 PolarHBondContact O-N 3.46Å; E586-R590 WeakPolarHBondContact O-CG 3.24Å; E586-R590 PolarHBondContact O-N 3.25Å
587A65.8Low69.8Low51 Ų5194.2 Ų94.242%0.42148%0.481SS..Hα-helixtrans-59.4-44.6170.400000110.6F583 R584 M589 R590 H591F583-A587 PolarHBondContact O-N 3.25Å; R584-A587 PolarHBondContact O-N 3.41Å; A587-M589 PolarHBondContact O-N 3.02Å; A587-R590 PolarHBondContact O-N 3.48Å; A587-H591 PolarHBondContact O-CD2 2.83Å
588E65.2Low68Low114 Ų11498.1 Ų98.153%0.53351%0.51SS..Hα-helixtrans-63.7-38.2176.1-71.7168.4-170.600113.2R584 E586R584-E588 WeakPolarHBondContact CG-OE1 2.97Å; R584-E588 WeakPolarHBondContact O-CG 3.41Å; R584-E588 PolarHBondContact O-N 3.18Å; E586-E588 VanDerWaalsContact C-N 3.31Å
589M62.6Low66.3Low123 Ų123101.6 Ų101.661%0.60652%0.523SS*.Hα-helixtrans-73.5-34177.7-75.9-147.8-80.300113.5Q585 E586 A587 H591 K592Q585-M589 WeakPolarHBondContact O-CG 3.47Å; Q585-M589 PolarHBondContact O-N 3.43Å; Q585-M589 VanDerWaalsContact O-N 3.07Å; E586-M589 PolarHBondContact O-N 3.46Å; A587-M589 PolarHBondContact O-N 3.02Å; M589-H591 PolarHBondContact O-N 3.44Å; M589-K592 PolarHBondContact O-N 2.65Å
590R58.6Low64.8Low161 Ų161105.2 Ų105.261%0.60855%0.547SS*.Hα-helixtrans-61.7-28.2177.1-80.7-178.8179.3169.50.7113.3E586 A587 K592 S593E586-R590 WeakPolarHBondContact O-CG 3.24Å; E586-R590 PolarHBondContact O-N 3.25Å; A587-R590 PolarHBondContact O-N 3.48Å; R590-K592 PolarHBondContact O-N 2.98Å; R590-S593 PolarHBondContact O-N 3.26Å
591H55Low63.3Low170 Ų170110 Ų11079%0.78756%0.557SS**THydrogen-bonded Turntrans-67.4-12173.7-72.7-65.3000114A587 M589A587-H591 PolarHBondContact O-CD2 2.83Å; M589-H591 PolarHBondContact O-N 3.44Å
592K50.3Low62.2Low188 Ų188114.9 Ų114.982%0.81759%0.589SS**THydrogen-bonded Turntrans-104.1-11-179.8-64.7-177.2-179.11770114.4M589 R590M589-K592 PolarHBondContact O-N 2.65Å; R590-K592 PolarHBondContact O-N 2.98Å
593S49.4Very low61.3Low94 Ų94123.5 Ų123.566%0.65762%0.622SS**SBendtrans-93.4114.8-178.6-59.20000110.7R590 A595R590-S593 PolarHBondContact O-N 3.26Å; S593-A595 PolarHBondContact O-N 3.32Å
594Q47.4Very low60.7Low191 Ų191129.2 Ų129.289%0.89365%0.653SS**  trans-56.8126173.1-105.5173.6-8.600110.4V596Q594-V596 PolarHBondContact O-N 3.46Å; Q594-V596 VanDerWaalsContact O-N 3.12Å
595A52Low60.4Low101 Ų101130.1 Ų130.184%0.83567%0.672SS**  trans-60.6113.9174.900000109.8S593 N597S593-A595 PolarHBondContact O-N 3.32Å; A595-N597 PolarHBondContact O-N 3.19Å
596V54.3Low60.3Low119 Ų119131 Ų13172%0.72169%0.689SS**  trans-63.1124.3171.9179.50000107.8Q594 P598Q594-V596 PolarHBondContact O-N 3.46Å; Q594-V596 VanDerWaalsContact O-N 3.12Å; V596-P598 VanDerWaalsContact O-CD 3.29Å; V596-P598 WeakPolarHBondContact O-CD 3.38Å
597N54.7Low60.5Low96 Ų96134.7 Ų134.751%0.51371%0.706SS.*  trans-67.5115.4-176.5-166.7-9.5000109.9A595 K599 T600A595-N597 PolarHBondContact O-N 3.19Å; N597-K599 PolarHBondContact O-N 3.18Å; N597-T600 PolarHBondContact O-N 3.18Å
598P56.7Low60.9Low118 Ų118138.2 Ų138.277%0.76672%0.718SS**THydrogen-bonded Turntrans-67.3-5-175.124.9-32.6000113.9V596V596-P598 VanDerWaalsContact O-CD 3.29Å; V596-P598 WeakPolarHBondContact O-CD 3.38Å
599K58.4Low61.5Low194 Ų194137.3 Ų137.384%0.84372%0.715SS**THydrogen-bonded Turntrans-81.6-5.6178.6-69.6-174.9176.4-177.50114.8N597N597-K599 PolarHBondContact O-N 3.18Å
600T59.4Low62.4Low95 Ų95132.4 Ų132.458%0.58369%0.691SS**SBendtrans-113.2-5.4-168-34.30000114.9N597N597-T600 PolarHBondContact O-N 3.18Å
601Y57.8Low63.2Low163 Ų163128 Ų12864%0.63968%0.682SS**  trans-137.7122.9179.7-75.1-85.4000112Y603Y601-Y603 PolarHBondContact O-N 2.69Å
602P65.7Low63.8Low124 Ų124120.7 Ų120.781%0.80565%0.651SS**  trans-85.522-174.435.7-36.1000114.1
603Y69.6Low64.4Low187 Ų187119.6 Ų119.673%0.73365%0.648SS**SBendtrans-92.5137.1-179.6-64.4-73.5000111.1Y601 T605Y601-Y603 PolarHBondContact O-N 2.69Å; Y603-T605 PolarHBondContact O-N 3.42Å; Y603-T605 VanDerWaalsContact O-N 3.12Å
604I73.1Confident64.8Low164 Ų164116.4 Ų116.484%0.84163%0.625SS**  trans-64.1113.5170.9-59174000107.8S606I604-S606 PolarHBondContact O-N 3.35Å
605T70.3Confident64.8Low137 Ų137112.4 Ų112.484%0.8462%0.624SS**  trans-64.2116.6172530000109Y603Y603-T605 PolarHBondContact O-N 3.42Å; Y603-T605 VanDerWaalsContact O-N 3.12Å
606S71.4Confident64.5Low119 Ų119110.3 Ų110.383%0.83260%0.601SS**  trans-105.9148.9172.9550000110I604I604-S606 PolarHBondContact O-N 3.35Å
607E71.9Confident63.6Low120 Ų120110.5 Ų110.556%0.56161%0.605SS**  trans-135.3138.1-179.1-175.8160.2-127.400110.7R560R560-E607 IonicContact CZ-OE1 3Å; R560-E607 IonicContact CZ-OE2 3.11Å; R560-E607 IonicContact NE-OE2 3.83Å; R560-E607 PolarHBondContact NE-OE2 3.17Å; R560-E607 IonicContact NH1-OE1 2.69Å; R560-E607 PolarHBondContact NH1-OE1 2.87Å; R560-E607 IonicContact NH1-OE2 3.72Å; R560-E607 PolarHBondContact NH1-OE2 3.07Å; R560-E607 IonicContact NH2-OE1 2.9Å; R560-E607 PolarHBondContact NH2-OE1 2.77Å; R560-E607 IonicContact NH2-OE2 3.12Å; R560-E607 PolarHBondContact NH2-OE2 3.49Å
608L75.8Confident63.2Low125 Ų125107.3 Ų107.365%0.65460%0.595SS**  trans-79.6126.6177.3-74.5159.5000110.2L552L552-L608 HydrophobicContact CD2-CB 4.34Å
609I77.3Confident62.7Low94 Ų94104.2 Ų104.248%0.48257%0.571SS.*  trans-124137.6175.5-57.2176.1000108.7R560 V611R560-I609 HydrophobicContact CB-CG2 4.11Å; R560-I609 WeakPolarHBondContact O-CG2 3.31Å; I609-V611 HydrophobicContact CG2-CG2 4.33Å
610M80.7Confident61.5Low20 Ų2098.6 Ų98.610%0.09956%0.561CS.*  trans-88.7128.5175.2178.6-98-68.600109.6L541 F544 R557 C561 P562L541-M610 HydrophobicContact CD1-CE 3.49Å; L541-M610 VanDerWaalsContact CD1-CE 3.49Å; L541-M610 HydrophobicContact CD1-SD 3.47Å; L541-M610 WeakPolarHBondContact CD1-SD 3.1Å; L541-M610 HydrophobicContact CD2-SD 4.27Å; L541-M610 HydrophobicContact CG-SD 4.4Å; F544-M610 HydrophobicContact CE1-CG 4.24Å; F544-M610 HydrophobicContact CE2-CE 4.35Å; F544-M610 HydrophobicContact CZ-CE 3.9Å; F544-M610 HydrophobicContact CZ-CG 3.94Å; F544-M610 HydrophobicContact CZ-SD 4.24Å; R557-M610 HydrophobicContact CB-CE 4.04Å; C561-M610 WeakPolarHBondContact CA-O 3.4Å; C561-M610 HydrophobicContact CB-CE 3.71Å; C561-M610 HydrophobicContact CB-SD 3.99Å; P562-M610 WeakPolarHBondContact CD-O 3.48Å
611V75.3Confident60.1Low70 Ų70102.1 Ų102.142%0.42458%0.576SS.*  trans-129.2132.6-179.7-173.40000108.8P562 I609P562-V611 HydrophobicContact CG-CG2 4.34Å; I609-V611 HydrophobicContact CG2-CG2 4.33Å
612A69.2Low59Low15 Ų1597.7 Ų97.712%0.12457%0.573CS.*  trans-76.9123171.900000110.3L541 Q563 T614L541-A612 HydrophobicContact CD2-CB 3.36Å; Q563-A612 HydrophobicContact CB-CB 4.49Å; Q563-A612 VanDerWaalsContact CD-CB 3.42Å; Q563-A612 HydrophobicContact CG-CB 3.76Å; Q563-A612 PolarHBondContact NE2-O 3.11Å; A612-T614 HydrophobicContact CB-CG2 4.35Å; A612-T614 PolarHBondContact O-N 3.33Å; A612-T614 VanDerWaalsContact O-N 3.15Å
613H63Low57.3Low165 Ų165101.6 Ų101.676%0.76458%0.581SS**  trans-76.997.2162.9-84.1-71.8000108.7
614T56.3Low55.4Low28 Ų2896.9 Ų96.917%0.17258%0.581CS.*  trans-90114.3169.953.50000107.6F539 A612 V616F539-T614 HydrophobicContact CD1-CG2 4.02Å; F539-T614 HydrophobicContact CE1-CG2 4.18Å; F539-T614 HydrophobicContact CG-CG2 4.46Å; A612-T614 HydrophobicContact CB-CG2 4.35Å; A612-T614 PolarHBondContact O-N 3.33Å; A612-T614 VanDerWaalsContact O-N 3.15Å; T614-V616 PolarHBondContact O-N 3.29Å
615A48.3Very low53.4Low106 Ų10693.9 Ų93.988%0.87657%0.57SS**  trans-75.222.3176.300000112.7
616V46Very low51.5Low57 Ų5792.7 Ų92.735%0.34557%0.565SS.*SBendtrans-102.8117.5-178.9-172.20000107.3F539 T614 G618F539-V616 HydrophobicContact CE1-CG2 4.02Å; F539-V616 HydrophobicContact CZ-CG2 4.2Å; T614-V616 PolarHBondContact O-N 3.29Å; V616-G618 PolarHBondContact O-N 2.78Å
617P35.8Very low49.6Very low124 Ų12492.3 Ų92.381%0.80556%0.562SS**THydrogen-bonded Turntrans-56.7125.3170.7-16.228.4000108.4
618G44.5Very low47.5Very low29 Ų2991.2 Ų91.230%0.29957%0.567SS.*THydrogen-bonded Turntrans115.95.1174.800000117.9E532 V616E532-G618 VanDerWaalsContact CG-O 3.24Å; E532-G618 WeakPolarHBondContact CG-O 3.39Å; E532-G618 WeakPolarHBondContact OE1-CA 3.49Å; E532-G618 VanDerWaalsContact OE1-O 3.06Å; E532-G618 WeakPolarHBondContact OE2-CA 3.44Å; V616-G618 PolarHBondContact O-N 2.78Å
619I46.8Very low45.4Very low52 Ų5291 Ų9127%0.26757%0.574SS.*SBendtrans-112.60.9170.7-57.9176.7000111.5T529 L531 F539T529-I619 HydrophobicContact CG2-CD1 4.42Å; L531-I619 HydrophobicContact CD2-CD1 3.77Å; F539-I619 HydrophobicContact CE2-CD1 4.02Å; F539-I619 HydrophobicContact CZ-CD1 3.94Å
620A32.7Very low43.1Very low76 Ų7691.4 Ų91.463%0.62859%0.585SS**  trans-114.758.4-173.100000112.5A622A620-A622 VanDerWaalsContact C-N 3.29Å; A620-A622 PolarHBondContact O-N 3.34Å
621D30.8Very low40.6Very low170 Ų17098.2 Ų98.291%0.90962%0.622SS**  trans-9569.5156.3-82.5-13.2000108.9
622A34.5Very low38.3Very low70 Ų7098.3 Ų98.358%0.57964%0.637SS**  trans-133.1103.115600000106.6A620 A624A620-A622 VanDerWaalsContact C-N 3.29Å; A620-A622 PolarHBondContact O-N 3.34Å; A622-A624 PolarHBondContact O-N 2.61Å
623E29.6Very low36.3Very low205 Ų205105.3 Ų105.396%0.95867%0.671SS**SBendtrans-54.889.1165-71.5-177.7147.100109.2
624A31Very low34.5Very low89 Ų89102.9 Ų102.974%0.73667%0.671SS**  trans151.467.6157.900000111.1A622 P626A622-A624 PolarHBondContact O-N 2.61Å; A624-P626 WeakPolarHBondContact O-CD 3.04Å
625T30.2Very low33.1Very low100 Ų100107 Ų10761%0.61370%0.698SS**  trans-98.8106.4154.543.90000108.7S627T625-S627 PolarHBondContact O-N 3.49Å
626P31.2Very low32.2Very low113 Ų113107.2 Ų107.273%0.73469%0.693SS**PPolyproline II helixtrans-69121.6165.827.2-28.7000108.3A624 S628A624-P626 WeakPolarHBondContact O-CD 3.04Å; P626-S628 PolarHBondContact O-N 2.69Å
627S31.5Very low31.3Very low111 Ų111110.9 Ų110.978%0.77672%0.718SS**PPolyproline II helixtrans-51.1120.5167.947.60000110.2T625T625-S627 PolarHBondContact O-N 3.49Å
628S27.8Very low30.8Very low96 Ų96108 Ų10867%0.67171%0.711SS**PPolyproline II helixtrans-58.8129.6168.1-61.50000109.5P626 S630P626-S628 PolarHBondContact O-N 2.69Å; S628-S630 PolarHBondContact O-N 2.9Å
629P30.9Very low29.8Very low121 Ų121114.5 Ų114.579%0.78674%0.739SS**  trans-70.9107.2169.827.7-28.8000108
630S28.6Very low29Very low103 Ų103119.4 Ų119.472%0.7277%0.766SS**SBendtrans-50.5134.5154.545.60000109.6S628S628-S630 PolarHBondContact O-N 2.9Å
631N27.6Very low28.7Very low162 Ų162123.5 Ų123.587%0.86678%0.776SS**  trans71.368.4170.1-58.5-15.6000116.3
632G27.3Very low28.4Very low72 Ų72120.2 Ų120.274%0.74277%0.767SS**  trans-110.49115700000110.1C634G632-C634 PolarHBondContact O-N 3.12Å
633I27.1Very low28.1Very low163 Ų163122.5 Ų122.584%0.83677%0.773SS**  trans-62.9112.4169.3-65.8164.1000107.3
634C26.2Very low28Very low114 Ų114120 Ų12077%0.7777%0.765SS**  trans-79.2124.3166.8-120.10000108.1G632 S636G632-C634 PolarHBondContact O-N 3.12Å; C634-S636 PolarHBondContact O-N 3.24Å
635P26.9Very low27.6Very low114 Ų114120.4 Ų120.474%0.7476%0.761SS**  trans-78.7107.3163.330.2-25.9000107.8
636S28.4Very low27.3Very low111 Ų111123.8 Ų123.878%0.77677%0.77SS**  trans-69.1127162.2-64.80000108.6C634 G638C634-S636 PolarHBondContact O-N 3.24Å; S636-G638 PolarHBondContact O-N 3Å
637P27.5Very low27Very low133 Ų133123.7 Ų123.786%0.86477%0.771SS**  trans-78.8115.7170.329.6-27.5000109.3
638G26.7Very low26.8Very low64 Ų64125.4 Ų125.466%0.6678%0.777SS**  trans91.882.9142.800000116.4S636S636-G638 PolarHBondContact O-N 3Å
639D23.1Very low26.8Very low166 Ų166123.6 Ų123.689%0.88877%0.773SS**  trans-141.198.3133-89.8-31000106.6
640D29Very low26.4Very low154 Ų154125.3 Ų125.382%0.82477%0.774SS**  trans-152.4106.9163.4-109-15.6000107
641L26.3Very low26.3Very low162 Ų162126.3 Ų126.385%0.84878%0.776SS**  158.387.9123.1-81.8161.3000109.6
642S25.3Very low26.1Very low102 Ų102122.7 Ų122.771%0.71376%0.763SS**  trans-67.2151.1140.5500000109.7
643T27.8Very low26Very low117 Ų117125.7 Ų125.772%0.71876%0.762SS**  trans91.2108.2157.4-5.20000117
644I27.2Very low25.9Very low154 Ų154126.1 Ų126.179%0.7976%0.758SS**  175.8129.890.6-81.5165.6000110.2
645C22.6Very low25.8Very low97 Ų97127 Ų12766%0.65576%0.755SS**  trans-12.8139.2159.5-65.90000121.9
646E25.3Very low25.6Very low170 Ų170128.4 Ų128.479%0.79476%0.756SS**  91.9125.3120.1-81.2174.7-162.500122.3
647C24.6Very low25.6Very low111 Ų111130 Ų13075%0.7576%0.756SS**  trans91.495.6134.4-71.20000120.1
648V27.3Very low25.6Very low148 Ų148129.4 Ų129.490%0.89775%0.752SS**  -144.7107.8126.4-173.20000104.5
649G27Very low25.7Very low58 Ų58133.4 Ų133.460%0.59876%0.757SS**  76.195.55300000108.7
650I23Very low25.9Very low157 Ų157131.8 Ų131.881%0.80575%0.748SS**  174.6126.583.9-83.4160.6000108.2
651T25.5Very low25.9Very low123 Ų123131.5 Ų131.576%0.75575%0.746SS**  trans22.4160.1136.575.10000121.8
652S23.6Very low25.9Very low86 Ų86130.9 Ų130.960%0.60174%0.743SS**  cis-173.5-179.6-1551.20000106.7
653D26.2Very low26.1Very low135 Ų135133.7 Ų133.772%0.72275%0.75SS**  trans97.1143.7158.5-53.9-8.5000116.7
654F24.2Very low26.3Very low173 Ų173136 Ų13676%0.75975%0.75SS**  cis-170143.5-29.5-133.8-95.8000103.9
655L23.4Very low26.7Very low133 Ų133133.6 Ų133.670%0.69674%0.739SS**  trans26.5128153-61.1175.2000121
656D24.4Very low27.4Very low142 Ų142139 Ų13976%0.75975%0.746SS**  176.8155.299.4-98.3-27.5000115.3
657N26.8Very low27.9Very low146 Ų146137.6 Ų137.678%0.78174%0.744SS**  trans91.593.4165.1-65.6-31.8000119.5
658P28.5Very low28.4Very low119 Ų119137.4 Ų137.477%0.77374%0.744SS**PPolyproline II helixtrans-79.6141.9153.633.5-28.4000110.6N660P658-N660 PolarHBondContact O-N 3.15Å
659I28.1Very low28.4Very low149 Ų149138.3 Ų138.376%0.76474%0.743SS**PPolyproline II helixtrans-62.9124.7175.3-68.5167.6000109.5L661I659-L661 HydrophobicContact CG2-CD1 4.3Å; I659-L661 HydrophobicContact CG2-CG 4.04Å
660N27.1Very low28.3Very low131 Ų131138.4 Ų138.470%0.70174%0.744SS**PPolyproline II helixtrans-80.5116.2173.4-173.4-6.8000109.3P658 N662P658-N660 PolarHBondContact O-N 3.15Å; N660-N662 PolarHBondContact OD1-N 3.04Å
661L29Very low28.5Very low149 Ų149137.6 Ų137.678%0.7875%0.746SS**  trans-123.437.7173.8-78.2166.6000110.9I659 D663I659-L661 HydrophobicContact CG2-CD1 4.3Å; I659-L661 HydrophobicContact CG2-CG 4.04Å; L661-D663 PolarHBondContact O-N 3.45Å
662N26.4Very low28.6Very low148 Ų148135 Ų13579%0.79174%0.743SS**  trans-77.450.6167.6-82.8-17.6000112.2N660N660-N662 PolarHBondContact OD1-N 3.04Å
663D30.5Very low28.7Very low162 Ų162137.9 Ų137.987%0.86675%0.751SS**  trans-139.972.8166.3-97.6-25.5000108.2L661L661-D663 PolarHBondContact O-N 3.45Å
664F30.9Very low28.7Very low164 Ų164138.3 Ų138.372%0.71976%0.758SS**  trans-141.4114.1157.7-158.1-100.5000108.9W666F664-W666 PolarHBondContact O-N 3.31Å
665D36.9Very low28.9Very low104 Ų104135.3 Ų135.356%0.55676%0.755SS**  trans-72.1108.4-175.517917.5000111.1N667D665-N667 VanDerWaalsContact C-N 3.27Å; D665-N667 WeakPolarHBondContact OD1-CA 3.29Å; D665-N667 VanDerWaalsContact OD1-CB 3.29Å; D665-N667 WeakPolarHBondContact OD1-CB 3.45Å; D665-N667 PolarHBondContact OD1-N 2.78Å
666W36Very low29Very low211 Ų211134.2 Ų134.280%0.79976%0.758SS**THydrogen-bonded Turntrans-84.56.4174.2-71.293.8000113.4F664F664-W666 PolarHBondContact O-N 3.31Å
667N36.3Very low29.1Very low141 Ų141136.1 Ų136.175%0.75476%0.762SS**THydrogen-bonded Turntrans-99.99.9174.6-70-39.1000114.6D665 L669D665-N667 VanDerWaalsContact C-N 3.27Å; D665-N667 WeakPolarHBondContact OD1-CA 3.29Å; D665-N667 VanDerWaalsContact OD1-CB 3.29Å; D665-N667 WeakPolarHBondContact OD1-CB 3.45Å; D665-N667 PolarHBondContact OD1-N 2.78Å; N667-L669 PolarHBondContact O-N 3.12Å
668S34.4Very low29.1Very low107 Ų107137 Ų13775%0.74877%0.765SS**  trans-77.63170.5-141.50000113.9G670S668-G670 VanDerWaalsContact C-N 3.35Å; S668-G670 PolarHBondContact O-N 3.2Å
669L27.1Very low29.1Very low166 Ų166141.8 Ų141.887%0.86977%0.774SS**  trans-92.572163.7-79.5163.4000109.5N667N667-L669 PolarHBondContact O-N 3.12Å
670G26.9Very low29.2Very low60 Ų60143.9 Ų143.962%0.61978%0.781SS**  trans-118.492.2176.300000111.1S668 G672S668-G670 VanDerWaalsContact C-N 3.35Å; S668-G670 PolarHBondContact O-N 3.2Å; G670-G672 PolarHBondContact O-N 3.37Å
671V27Very low29.7Very low140 Ų140142 Ų14285%0.84878%0.783SS**  trans18.196.5140.1-172.70000114.9
672G27.5Very low29.9Very low68 Ų68141 Ų14170%0.70179%0.786SS**  trans-105.3109.5163.900000109.6G670 V674G670-G672 PolarHBondContact O-N 3.37Å; G672-V674 PolarHBondContact O-N 2.99Å
673L25.4Very low30.4Very low148 Ų148142 Ų14278%0.77579%0.788SS**  trans-43.6119.7161.3-92.375.3000109.7T675L673-T675 HydrophobicContact CD2-CG2 4.44Å; L673-T675 PolarHBondContact O-N 3.06Å
674V26.5Very low30.7Very low143 Ų143136.5 Ų136.587%0.86777%0.769SS**  trans-88.596.9155.8179.20000106.2G672G672-V674 PolarHBondContact O-N 2.99Å
675T28.2Very low30.9Very low111 Ų111137.4 Ų137.468%0.68178%0.776SS**  trans-62.8128.6164.2430000109.4L673L673-T675 HydrophobicContact CD2-CG2 4.44Å; L673-T675 PolarHBondContact O-N 3.06Å
676S25.7Very low31.1Very low109 Ų109139.1 Ų139.176%0.76279%0.785SS**  trans-51.3128.7165.4-53.20000111
677E26.4Very low31.3Very low183 Ų183134.3 Ų134.386%0.85577%0.774SS**  trans17481.9153.9-101.6167.1-148.100110.4
678I27.2Very low31.3Very low164 Ų164134.1 Ų134.184%0.84177%0.773SS**  trans-153.275.8147.3-51.5-176.9000107.7
679F28Very low31.3Very low219 Ų219135 Ų13596%0.96177%0.768SS**  trans-162.874.5153.7-94.2-69.9000107.2
680E29.3Very low32Very low193 Ų193130.4 Ų130.490%0.90275%0.75SS**  trans-109104.5162.5-80.8-167.1152.100108.6
681A37.7Very low32.4Very low91 Ų91132.3 Ų132.375%0.75275%0.753SS**  trans-165.1111.314600000108.1M683A681-M683 PolarHBondContact O-N 3.19Å
682P34.2Very low32.8Very low128 Ų128131.2 Ų131.283%0.83174%0.742SS**PPolyproline II helixtrans-77.6119.3167.323.8-15.8000108.6G684P682-G684 PolarHBondContact O-N 3.25Å
683M35.5Very low33.5Very low171 Ų171134.2 Ų134.284%0.84274%0.742SS**PPolyproline II helixtrans-57.3126.4165.6-85.1-173.6-56.500109.1A681A681-M683 PolarHBondContact O-N 3.19Å
684G38.1Very low34.1Very low45 Ų45135.4 Ų135.446%0.46474%0.743SS.*PPolyproline II helixtrans-72.2144.3174.200000111.5P682 N686 D687P682-G684 PolarHBondContact O-N 3.25Å; G684-N686 PolarHBondContact O-N 3.31Å; G684-D687 PolarHBondContact O-N 3.21Å
685E35.5Very low34.5Very low184 Ų184137.7 Ų137.786%0.8674%0.744SS**THydrogen-bonded Turntrans-58.3-7.4-178.9-73.2178.6137.800115.1
686N40.6Very low34.9Very low139 Ų139144.6 Ų144.674%0.74377%0.765SS**THydrogen-bonded Turntrans-90.6-12.1179.2-77.6-22.7000114.9G684G684-N686 PolarHBondContact O-N 3.31Å
687D39.8Very low35.3Very low110 Ų110146.4 Ų146.459%0.58877%0.765SS**SBendtrans-87.7-5.2178-72.8-31.3000113.3G684 S690G684-D687 PolarHBondContact O-N 3.21Å; D687-S690 PolarHBondContact O-OG 3.31Å
688L35.8Very low35.8Very low138 Ų138144.5 Ų144.572%0.72376%0.761SS**SBendtrans-85.7-16.2177.6-146.8101.2000113.3
689L36.1Very low36.3Very low125 Ų125143.4 Ų143.465%0.65476%0.756SS**SBendtrans-97.7-14.9-175.8-87.2154.1000113.7
690S41Very low36.8Very low70 Ų70138.9 Ų138.949%0.4974%0.744SS.*SBendtrans-85.2-20.5179.456.20000113.9D687 L692D687-S690 PolarHBondContact O-OG 3.31Å; S690-L692 VanDerWaalsContact C-N 3.33Å; S690-L692 PolarHBondContact O-N 3.37Å
691C35.7Very low37.2Very low99 Ų99135.6 Ų135.667%0.66973%0.734SS**THydrogen-bonded Turntrans-84.2-1.3178.4-72.30000114.5
692L35.3Very low37.2Very low118 Ų118138.5 Ų138.562%0.61873%0.733SS**THydrogen-bonded Turntrans-101.5-7.1180-77.5166.4000114.1S690S690-L692 VanDerWaalsContact C-N 3.33Å; S690-L692 PolarHBondContact O-N 3.37Å
693D40.8Very low37.4Very low130 Ų130139.3 Ų139.370%0.69573%0.726SS**SBendtrans-95.6-6176.3-87.2-30.3000114
694E39.4Very low37.6Very low173 Ų173136.8 Ų136.881%0.80872%0.717SS**THydrogen-bonded Turntrans-91.814.2177.3-70.7-167.8156.800114.6
695Q35.1Very low37.5Very low191 Ų191144.5 Ų144.589%0.89374%0.738SS**THydrogen-bonded Turntrans-124.428.2173.2-75.1-156.3-19.100115.1
696K35.2Very low37.7Very low257 Ų257140.9 Ų140.9100%1.11773%0.727SS**  trans-102.90155.1-86.7-178178.5169.90109.7

Retrieved 696 of 696 residues in 250.4 ms (Link to these results)

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