A0A087YM10_POEFO Loading...

RAS and EF-hand domain containing

AlphaFold DB , UniProt , Accession A0A087YM10, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 722 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
1K43.8Very low57.8Low150 Ų150101.5 Ų101.565%0.65251%0.505SS*.  0-93.70-74.9-157167.6-165.90112.4A3 E4 E5K1-A3 PolarHBondContact O-N 3.43Å; K1-E4 PolarHBondContact N-OE2 3.13Å; K1-E4 CarbonylContact O-C 3.1Å; K1-E4 VanDerWaalsContact O-CA 3.32Å; K1-E4 WeakPolarHBondContact O-CA 3.48Å; K1-E4 WeakPolarHBondContact O-CB 3.12Å; K1-E4 PolarHBondContact O-N 2.86Å; K1-E5 WeakPolarHBondContact O-CB 3.48Å; K1-E5 PolarHBondContact O-N 3.16Å
2A41.9Very low58.8Low80 Ų8099.2 Ų99.266%0.66151%0.506SS*.Hα-helixtrans-51.6-55.5-171.900000115E4 E5 E6A2-E4 PolarHBondContact O-N 2.96Å; A2-E5 PolarHBondContact O-N 3.42Å; A2-E6 PolarHBondContact O-N 3.18Å
3A46.4Very low59.4Low82 Ų8296.5 Ų96.568%0.67849%0.494SS*.Hα-helixtrans-70.14.2175.700000115.4K1 R7K1-A3 PolarHBondContact O-N 3.43Å; A3-R7 WeakPolarHBondContact O-CD 3.38Å; A3-R7 VanDerWaalsContact O-CG 3.27Å; A3-R7 WeakPolarHBondContact O-CG 3.45Å
4E53.1Low60.3Low138 Ų13889.9 Ų89.965%0.64546%0.46SS*.Hα-helixtrans-113.6-37.3-176.3-160.1169.1-155.400109.6K1 A2 R7 G8K1-E4 PolarHBondContact N-OE2 3.13Å; K1-E4 CarbonylContact O-C 3.1Å; K1-E4 VanDerWaalsContact O-CA 3.32Å; K1-E4 WeakPolarHBondContact O-CA 3.48Å; K1-E4 WeakPolarHBondContact O-CB 3.12Å; K1-E4 PolarHBondContact O-N 2.86Å; A2-E4 PolarHBondContact O-N 2.96Å; E4-R7 PolarHBondContact O-N 3.08Å; E4-G8 PolarHBondContact O-N 3.15Å
5E59Low60.8Low118 Ų11891.8 Ų91.855%0.55147%0.465SS*.Hα-helixtrans-67.7-43.2167.3-166.9175.6161.600111.1K1 A2 G8 R9K1-E5 WeakPolarHBondContact O-CB 3.48Å; K1-E5 PolarHBondContact O-N 3.16Å; A2-E5 PolarHBondContact O-N 3.42Å; E5-G8 CarbonylContact O-C 3.52Å; E5-G8 VanDerWaalsContact O-CA 3.3Å; E5-G8 WeakPolarHBondContact O-CA 3.38Å; E5-G8 PolarHBondContact O-N 2.69Å; E5-R9 PolarHBondContact O-N 3.24Å; E5-R9 IonicContact OE1-NH2 2.99Å
6E55.4Low61Low78 Ų7893.3 Ų93.336%0.36447%0.474SS..Hα-helixtrans-66.4-34.3170.1-74.7-57.214800112.8A2 G8 R9 L10A2-E6 PolarHBondContact O-N 3.18Å; E6-G8 PolarHBondContact O-N 2.77Å; E6-R9 PolarHBondContact O-N 3.49Å; E6-R9 WeakPolarHBondContact OE1-CD 3.41Å; E6-R9 IonicContact OE1-CZ 3.2Å; E6-R9 IonicContact OE1-NE 2.62Å; E6-R9 IonicContact OE1-NH1 3.06Å; E6-R9 PolarHBondContact OE1-NH1 3.36Å; E6-R9 WeakPolarHBondContact OE2-CD 3.49Å; E6-L10 WeakPolarHBondContact O-CB 3.15Å; E6-L10 WeakPolarHBondContact O-CG 3.46Å; E6-L10 PolarHBondContact O-N 3.31Å
7R63.8Low61.3Low139 Ų13991.9 Ų91.953%0.52546%0.462SS..Hα-helixtrans-65-28.4168.5-83.8178.5163.6-172.1-6.8112.1A3 E4 R11 L65A3-R7 WeakPolarHBondContact O-CD 3.38Å; A3-R7 VanDerWaalsContact O-CG 3.27Å; A3-R7 WeakPolarHBondContact O-CG 3.45Å; E4-R7 PolarHBondContact O-N 3.08Å; R7-R11 WeakPolarHBondContact O-CB 3.5Å; R7-R11 VanDerWaalsContact O-CD 3.29Å; R7-R11 WeakPolarHBondContact O-CD 3.44Å; R7-R11 WeakPolarHBondContact O-CG 3.41Å; R7-R11 PolarHBondContact O-N 2.81Å; R7-L65 HydrophobicContact CG-CD2 4.39Å
8G67.3Low61.8Low31 Ų3186.9 Ų86.932%0.3244%0.436SS..Hα-helixtrans-64.6-52.716700000111.9E4 E5 E6 L10 R11 S12E4-G8 PolarHBondContact O-N 3.15Å; E5-G8 CarbonylContact O-C 3.52Å; E5-G8 VanDerWaalsContact O-CA 3.3Å; E5-G8 WeakPolarHBondContact O-CA 3.38Å; E5-G8 PolarHBondContact O-N 2.69Å; E6-G8 PolarHBondContact O-N 2.77Å; G8-L10 PolarHBondContact O-N 2.79Å; G8-R11 WeakPolarHBondContact O-CB 3.21Å; G8-R11 PolarHBondContact O-N 3.05Å; G8-R11 VanDerWaalsContact O-N 3.16Å; G8-S12 PolarHBondContact O-N 3.3Å; G8-S12 PolarHBondContact O-OG 2.95Å
9R67Low61.8Low134 Ų13487.8 Ų87.851%0.50645%0.447SS..Hα-helixtrans-58.6-45.9179.4-68.6172.6-178.9-177.9-1.6112.8E5 E6 R11 S12 L13E5-R9 PolarHBondContact O-N 3.24Å; E5-R9 IonicContact OE1-NH2 2.99Å; E6-R9 PolarHBondContact O-N 3.49Å; E6-R9 WeakPolarHBondContact OE1-CD 3.41Å; E6-R9 IonicContact OE1-CZ 3.2Å; E6-R9 IonicContact OE1-NE 2.62Å; E6-R9 IonicContact OE1-NH1 3.06Å; E6-R9 PolarHBondContact OE1-NH1 3.36Å; E6-R9 WeakPolarHBondContact OE2-CD 3.49Å; R9-R11 VanDerWaalsContact C-N 3.32Å; R9-R11 PolarHBondContact O-N 3.08Å; R9-S12 PolarHBondContact O-N 3.36Å; R9-L13 WeakPolarHBondContact O-CG 3.37Å; R9-L13 PolarHBondContact O-N 3.27Å
10L65.9Low62.3Low22 Ų2288.7 Ų88.712%0.11545%0.453CS..Hα-helixtrans-66.7-30.7177.4-70.7170.6000112.9E6 G8 L13 F14 F64 L65 F68E6-L10 WeakPolarHBondContact O-CB 3.15Å; E6-L10 WeakPolarHBondContact O-CG 3.46Å; E6-L10 PolarHBondContact O-N 3.31Å; G8-L10 PolarHBondContact O-N 2.79Å; L10-L13 HydrophobicContact CD2-CD1 4.29Å; L10-F14 WeakPolarHBondContact O-CB 3.36Å; L10-F14 PolarHBondContact O-N 3.13Å; L10-F64 HydrophobicContact CD2-CE1 4.47Å; L10-L65 HydrophobicContact CB-CD2 3.45Å; L10-L65 VanDerWaalsContact CB-CD2 3.45Å; L10-L65 HydrophobicContact CD1-CD2 4.14Å; L10-L65 HydrophobicContact CG-CD2 4.45Å; L10-F68 HydrophobicContact CD1-CB 4.07Å; L10-F68 HydrophobicContact CD2-CB 4.03Å; L10-F68 HydrophobicContact CD2-CD1 4.28Å; L10-F68 HydrophobicContact CD2-CG 4.14Å
11R71.9Confident62.3Low144 Ų14489.6 Ų89.654%0.54346%0.459SS..Hα-helixtrans-67.8-43.8170.4-78.5168.4175.1-167.2-5.8111.9R7 G8 R9 L13 F14 H15 L61 L65R7-R11 WeakPolarHBondContact O-CB 3.5Å; R7-R11 VanDerWaalsContact O-CD 3.29Å; R7-R11 WeakPolarHBondContact O-CD 3.44Å; R7-R11 WeakPolarHBondContact O-CG 3.41Å; R7-R11 PolarHBondContact O-N 2.81Å; G8-R11 WeakPolarHBondContact O-CB 3.21Å; G8-R11 PolarHBondContact O-N 3.05Å; G8-R11 VanDerWaalsContact O-N 3.16Å; R9-R11 VanDerWaalsContact C-N 3.32Å; R9-R11 PolarHBondContact O-N 3.08Å; R11-L13 VanDerWaalsContact C-N 3.32Å; R11-L13 PolarHBondContact O-N 2.69Å; R11-F14 PolarHBondContact O-N 2.83Å; R11-H15 PolarHBondContact O-N 3.21Å; R11-L61 HydrophobicContact CG-CD1 4Å; R11-L61 HydrophobicContact CG-CD2 4.34Å; R11-L65 HydrophobicContact CG-CD1 4.14Å; R11-L65 HydrophobicContact CG-CD2 4.43Å
12S70.5Confident63.7Low74 Ų7485.7 Ų85.752%0.51745%0.45SS..Hα-helixtrans-62.6-39.5174.3-59.30000111.9G8 R9 H15 I16G8-S12 PolarHBondContact O-N 3.3Å; G8-S12 PolarHBondContact O-OG 2.95Å; R9-S12 PolarHBondContact O-N 3.36Å; S12-H15 PolarHBondContact O-N 3.27Å; S12-I16 WeakPolarHBondContact O-CD1 3.25Å; S12-I16 VanDerWaalsContact O-CG1 3.27Å; S12-I16 WeakPolarHBondContact O-CG1 3.19Å; S12-I16 PolarHBondContact O-N 2.73Å; S12-I16 VanDerWaalsContact O-N 3.14Å
13L66.2Low65.1Low65 Ų6583.5 Ų83.534%0.3444%0.435SS..Hα-helixtrans-63.9-45.5174.3-78164.1000112.1R9 L10 R11 H15 I16 Y17R9-L13 WeakPolarHBondContact O-CG 3.37Å; R9-L13 PolarHBondContact O-N 3.27Å; L10-L13 HydrophobicContact CD2-CD1 4.29Å; R11-L13 VanDerWaalsContact C-N 3.32Å; R11-L13 PolarHBondContact O-N 2.69Å; L13-H15 VanDerWaalsContact C-N 3.3Å; L13-H15 PolarHBondContact O-N 2.76Å; L13-I16 WeakPolarHBondContact O-CB 3.49Å; L13-I16 PolarHBondContact O-N 3.16Å; L13-Y17 HydrophobicContact CB-CE2 4.1Å; L13-Y17 HydrophobicContact CD2-CE2 4.14Å; L13-Y17 WeakPolarHBondContact O-CD2 3.35Å; L13-Y17 PolarHBondContact O-N 2.93Å; L13-Y17 VanDerWaalsContact O-N 3.15Å
14F71.7Confident66.6Low4 Ų484.3 Ų84.32%0.01842%0.421CS..Hα-helixtrans-55.2-46.8174.4-174.3-88.3000111.2L10 R11 I16 Y17 D18 G23 I25 L61 F64L10-F14 WeakPolarHBondContact O-CB 3.36Å; L10-F14 PolarHBondContact O-N 3.13Å; R11-F14 PolarHBondContact O-N 2.83Å; F14-I16 PolarHBondContact O-N 2.92Å; F14-Y17 PolarHBondContact O-N 3.48Å; F14-D18 HydrophobicContact CD1-CB 4.28Å; F14-D18 HydrophobicContact CE1-CB 4.2Å; F14-D18 WeakPolarHBondContact O-CB 3.42Å; F14-D18 PolarHBondContact O-N 3.43Å; F14-G23 WeakPolarHBondContact CZ-O 3.21Å; F14-I25 HydrophobicContact CD2-CD1 3.58Å; F14-I25 HydrophobicContact CD2-CG1 4.19Å; F14-I25 HydrophobicContact CE2-CD1 3.6Å; F14-I25 HydrophobicContact CE2-CG1 3.75Å; F14-I25 HydrophobicContact CG-CD1 4.33Å; F14-I25 HydrophobicContact CZ-CD1 4.34Å; F14-I25 HydrophobicContact CZ-CG1 4.04Å; F14-L61 HydrophobicContact CB-CD1 3.6Å; F14-L61 HydrophobicContact CD1-CB 4.13Å; F14-L61 HydrophobicContact CD1-CD1 3.75Å; F14-L61 HydrophobicContact CD1-CG 4.44Å; F14-L61 HydrophobicContact CD2-CB 4.4Å; F14-L61 HydrophobicContact CD2-CD1 3.99Å; F14-L61 HydrophobicContact CE1-CB 3.94Å; F14-L61 HydrophobicContact CE1-CD1 4.43Å; F14-L61 HydrophobicContact CE2-CB 4.21Å; F14-L61 HydrophobicContact CG-CB 4.36Å; F14-L61 HydrophobicContact CG-CD1 3.49Å; F14-L61 VanDerWaalsContact CG-CD1 3.49Å; F14-L61 HydrophobicContact CZ-CB 3.97Å; F14-F64 HydrophobicContact CB-CD1 4.07Å; F14-F64 HydrophobicContact CB-CE1 4.16Å; F14-F64 HydrophobicContact CD2-CB 3.68Å; F14-F64 AromaticContact CD2-CD1 3.86Å; F14-F64 HydrophobicContact CD2-CD1 3.86Å; F14-F64 HydrophobicContact CD2-CD2 4.13Å; F14-F64 AromaticContact CD2-CG 3.64Å; F14-F64 HydrophobicContact CD2-CG 3.64Å; F14-F64 HydrophobicContact CE2-CB 3.99Å; F14-F64 HydrophobicContact CE2-CG 4.35Å; F14-F64 HydrophobicContact CG-CD1 4.46Å
15H67.6Low67.7Low118 Ų11877.8 Ų77.855%0.54639%0.39SS..Hα-helixtrans-71.6-6.2177.9-122.817.4000115R11 S12 L13 D18R11-H15 PolarHBondContact O-N 3.21Å; S12-H15 PolarHBondContact O-N 3.27Å; L13-H15 VanDerWaalsContact C-N 3.3Å; L13-H15 PolarHBondContact O-N 2.76Å; H15-D18 IonicContact CE1-OD2 3.42Å; H15-D18 IonicContact ND1-OD2 2.68Å; H15-D18 PolarHBondContact ND1-OD2 2.74Å; H15-D18 VanDerWaalsContact ND1-OD2 3.09Å
16I64.9Low68.6Low116 Ų11676.8 Ų76.860%0.59539%0.386SS*.Hα-helixtrans-91.4-25.9169.4-71.7162.4000110.9S12 L13 F14S12-I16 WeakPolarHBondContact O-CD1 3.25Å; S12-I16 VanDerWaalsContact O-CG1 3.27Å; S12-I16 WeakPolarHBondContact O-CG1 3.19Å; S12-I16 PolarHBondContact O-N 2.73Å; S12-I16 VanDerWaalsContact O-N 3.14Å; L13-I16 WeakPolarHBondContact O-CB 3.49Å; L13-I16 PolarHBondContact O-N 3.16Å; F14-I16 PolarHBondContact O-N 2.92Å
17Y65.2Low69.4Low70 Ų7077.3 Ų77.328%0.27539%0.387SS..Hα-helixtrans-95.7-19.8178.7-57-44.9000113.8L13 F14 V19 I33 F64L13-Y17 HydrophobicContact CB-CE2 4.1Å; L13-Y17 HydrophobicContact CD2-CE2 4.14Å; L13-Y17 WeakPolarHBondContact O-CD2 3.35Å; L13-Y17 PolarHBondContact O-N 2.93Å; L13-Y17 VanDerWaalsContact O-N 3.15Å; F14-Y17 PolarHBondContact O-N 3.48Å; Y17-V19 VanDerWaalsContact C-N 3.27Å; Y17-V19 PolarHBondContact O-N 2.65Å; Y17-V19 VanDerWaalsContact O-N 3.08Å; Y17-I33 HydrophobicContact CD1-CD1 3.85Å; Y17-I33 HydrophobicContact CD1-CG2 4.11Å; Y17-I33 HydrophobicContact CE1-CG2 4.06Å; Y17-I33 HydrophobicContact CG-CD1 4.24Å; Y17-F64 HydrophobicContact CD2-CE2 4.45Å; Y17-F64 HydrophobicContact CD2-CZ 4.08Å; Y17-F64 HydrophobicContact CE2-CZ 4.26Å
18D70.4Confident69.7Low1 Ų176.3 Ų76.31%0.00539%0.392CS..  trans-77.267.8170.8177.123.5000109.8F14 H15 D20 N21 S22 G23F14-D18 HydrophobicContact CD1-CB 4.28Å; F14-D18 HydrophobicContact CE1-CB 4.2Å; F14-D18 WeakPolarHBondContact O-CB 3.42Å; F14-D18 PolarHBondContact O-N 3.43Å; H15-D18 IonicContact CE1-OD2 3.42Å; H15-D18 IonicContact ND1-OD2 2.68Å; H15-D18 PolarHBondContact ND1-OD2 2.74Å; H15-D18 VanDerWaalsContact ND1-OD2 3.09Å; D18-D20 VanDerWaalsContact C-N 3.3Å; D18-D20 PolarHBondContact O-N 2.84Å; D18-N21 PolarHBondContact O-N 3.33Å; D18-N21 VanDerWaalsContact O-N 3.09Å; D18-N21 VanDerWaalsContact OD1-CA 3.24Å; D18-N21 WeakPolarHBondContact OD1-CA 3.46Å; D18-N21 PolarHBondContact OD1-N 2.86Å; D18-S22 PolarHBondContact OD1-N 3.46Å; D18-G23 PolarHBondContact OD1-N 2.87Å; D18-G23 WeakPolarHBondContact OD2-CA 3.37Å; D18-G23 PolarHBondContact OD2-N 3.05Å
19V62.8Low69.9Low105 Ų10576.7 Ų76.764%0.63639%0.385SS*.THydrogen-bonded Turntrans-65.4-31.5-167.5179.30000112.4Y17Y17-V19 VanDerWaalsContact C-N 3.27Å; Y17-V19 PolarHBondContact O-N 2.65Å; Y17-V19 VanDerWaalsContact O-N 3.08Å
20D70.6Confident70.3Confident105 Ų10571.7 Ų71.756%0.56137%0.367SS*.THydrogen-bonded Turntrans-88.2-6.1176.187-26.5000114.3D18 S22D18-D20 VanDerWaalsContact C-N 3.3Å; D18-D20 PolarHBondContact O-N 2.84Å; D20-S22 VanDerWaalsContact C-N 3.26Å; D20-S22 PolarHBondContact O-N 3.39Å; D20-S22 WeakPolarHBondContact OD1-CB 3.38Å; D20-S22 PolarHBondContact OD1-N 3Å; D20-S22 PolarHBondContact OD1-OG 3.37Å; D20-S22 WeakPolarHBondContact OD2-CB 3.28Å
21N63.4Low70.4Confident108 Ų10873.1 Ų73.158%0.57838%0.379SS*.  trans59.728.8-174.8-65.2-112.9000113.8D18 G23D18-N21 PolarHBondContact O-N 3.33Å; D18-N21 VanDerWaalsContact O-N 3.09Å; D18-N21 VanDerWaalsContact OD1-CA 3.24Å; D18-N21 WeakPolarHBondContact OD1-CA 3.46Å; D18-N21 PolarHBondContact OD1-N 2.86Å; N21-G23 PolarHBondContact O-N 2.96Å
22S73Confident70.2Confident67 Ų6769 Ų6947%0.46938%0.376SS..SBendtrans-70.6-16.6172.563.40000113.6D18 D20 R24D18-S22 PolarHBondContact OD1-N 3.46Å; D20-S22 VanDerWaalsContact C-N 3.26Å; D20-S22 PolarHBondContact O-N 3.39Å; D20-S22 WeakPolarHBondContact OD1-CB 3.38Å; D20-S22 PolarHBondContact OD1-N 3Å; D20-S22 PolarHBondContact OD1-OG 3.37Å; D20-S22 WeakPolarHBondContact OD2-CB 3.28Å; S22-R24 VanDerWaalsContact C-N 3.34Å; S22-R24 PolarHBondContact OG-N 3.43Å; S22-R24 PolarHBondContact OG-O 3.06Å; S22-R24 VanDerWaalsContact OG-O 3.07Å
23G70Confident69.8Low34 Ų3467 Ų6735%0.35136%0.359SS..SBendtrans80.415.3-175.600000113.6F14 D18 N21F14-G23 WeakPolarHBondContact CZ-O 3.21Å; D18-G23 PolarHBondContact OD1-N 2.87Å; D18-G23 WeakPolarHBondContact OD2-CA 3.37Å; D18-G23 PolarHBondContact OD2-N 3.05Å; N21-G23 PolarHBondContact O-N 2.96Å
24R78.5Confident69.8Low99 Ų9964.4 Ų64.437%0.37435%0.346SS..EExtended strand (participates in β ladder)trans-143.9134.3-179.5-74.3178.5161.6-122.2-7.7108.6S22 D56 T58 T60S22-R24 VanDerWaalsContact C-N 3.34Å; S22-R24 PolarHBondContact OG-N 3.43Å; S22-R24 PolarHBondContact OG-O 3.06Å; S22-R24 VanDerWaalsContact OG-O 3.07Å; R24-D56 IonicContact CZ-OD2 3.66Å; R24-D56 IonicContact NH1-OD1 3.63Å; R24-D56 PolarHBondContact NH1-OD1 3.45Å; R24-D56 IonicContact NH1-OD2 3.29Å; R24-D56 PolarHBondContact NH1-OD2 2.99Å; R24-D56 IonicContact NH2-OD2 3.44Å; R24-D56 PolarHBondContact NH2-OD2 3.27Å; R24-T58 PolarHBondContact NH1-OG1 2.88Å; R24-T60 HydrophobicContact CG-CG2 4.42Å
25I76.8Confident69.5Low1 Ų171.1 Ų71.11%0.00538%0.378CS..EExtended strand (participates in β ladder)trans-93.5116.3176.1-60.3170.8000108.5F14 E29 F30 V59 F64F14-I25 HydrophobicContact CD2-CD1 3.58Å; F14-I25 HydrophobicContact CD2-CG1 4.19Å; F14-I25 HydrophobicContact CE2-CD1 3.6Å; F14-I25 HydrophobicContact CE2-CG1 3.75Å; F14-I25 HydrophobicContact CG-CD1 4.33Å; F14-I25 HydrophobicContact CZ-CD1 4.34Å; F14-I25 HydrophobicContact CZ-CG1 4.04Å; I25-E29 HydrophobicContact CG2-CB 4.49Å; I25-F30 HydrophobicContact CG2-CB 4.03Å; I25-F30 HydrophobicContact CG2-CD2 4.4Å; I25-V59 PolarHBondContact N-O 2.93Å; I25-V59 PolarHBondContact O-N 3.31Å; I25-F64 HydrophobicContact CD1-CD2 4.23Å; I25-F64 HydrophobicContact CD1-CE2 4.29Å
26E78.1Confident69.2Low98 Ų9873.3 Ų73.346%0.45839%0.388SS..EExtended strand (participates in β ladder)trans-74152.6174.2-75.6-154.3171.400111.9N28 E29 F30 T58E26-N28 PolarHBondContact O-N 3.1Å; E26-N28 VanDerWaalsContact O-N 3.12Å; E26-N28 PolarHBondContact OE2-ND2 3.26Å; E26-N28 VanDerWaalsContact OE2-ND2 3.1Å; E26-E29 HydrophobicContact CB-CG 4.32Å; E26-E29 PolarHBondContact N-OE2 3.01Å; E26-E29 PolarHBondContact O-N 2.97Å; E26-E29 VanDerWaalsContact O-N 3.11Å; E26-F30 PolarHBondContact O-N 3.47Å; E26-T58 HydrophobicContact CG-CG2 4.19Å
27K72.7Confident68.8Low88 Ų8873.1 Ų73.138%0.38339%0.388SS..Hα-helixtrans-54.9-32.2174.8-169.8177.8175.1-174.90113.4S31 E45 F48K27-S31 VanDerWaalsContact O-CB 3.23Å; K27-S31 WeakPolarHBondContact O-CB 3.23Å; K27-S31 PolarHBondContact O-N 2.68Å; K27-E45 WeakPolarHBondContact CE-OE1 3.33Å; K27-E45 IonicContact NZ-OE1 3.31Å; K27-E45 PolarHBondContact NZ-OE1 3.24Å; K27-F48 VanDerWaalsContact CA-CE2 3.47Å; K27-F48 HydrophobicContact CB-CD1 4.22Å; K27-F48 HydrophobicContact CB-CD2 4.44Å; K27-F48 HydrophobicContact CB-CE1 3.76Å; K27-F48 HydrophobicContact CB-CE2 3.99Å; K27-F48 HydrophobicContact CB-CZ 3.62Å; K27-F48 HydrophobicContact CD-CD1 4.22Å; K27-F48 HydrophobicContact CD-CE1 4.36Å; K27-F48 HydrophobicContact CG-CD1 3.99Å; K27-F48 HydrophobicContact CG-CD2 4.41Å; K27-F48 HydrophobicContact CG-CE1 4.04Å; K27-F48 HydrophobicContact CG-CE2 4.44Å; K27-F48 HydrophobicContact CG-CG 4.18Å; K27-F48 HydrophobicContact CG-CZ 4.27Å
28N69.6Low68.3Low118 Ų11878.3 Ų78.363%0.63141%0.414SS*.Hα-helixtrans-67-43.6179.4-59.9-54.6000111.8E26 S31 A32E26-N28 PolarHBondContact O-N 3.1Å; E26-N28 VanDerWaalsContact O-N 3.12Å; E26-N28 PolarHBondContact OE2-ND2 3.26Å; E26-N28 VanDerWaalsContact OE2-ND2 3.1Å; N28-S31 PolarHBondContact O-N 2.92Å; N28-A32 PolarHBondContact O-N 3.27Å; N28-A32 VanDerWaalsContact O-N 3.09Å
29E72.1Confident68.1Low39 Ų3980.3 Ų80.318%0.18243%0.427CS..Hα-helixtrans-69.7-47.5179.3-57.8174.1116.400110.4I25 E26 S31 A32 I33I25-E29 HydrophobicContact CG2-CB 4.49Å; E26-E29 HydrophobicContact CB-CG 4.32Å; E26-E29 PolarHBondContact N-OE2 3.01Å; E26-E29 PolarHBondContact O-N 2.97Å; E26-E29 VanDerWaalsContact O-N 3.11Å; E29-S31 VanDerWaalsContact C-N 3.26Å; E29-S31 PolarHBondContact O-N 2.83Å; E29-A32 PolarHBondContact O-N 3.41Å; E29-A32 VanDerWaalsContact O-N 3.07Å; E29-I33 WeakPolarHBondContact O-CG1 3.41Å; E29-I33 PolarHBondContact O-N 3.06Å
30F74.4Confident68.4Low30 Ų3078.7 Ų78.713%0.13242%0.418CS..Hα-helixtrans-57.5-39.7175.4-168.5-96.2000112I25 E26 C34 I47 F48 L51I25-F30 HydrophobicContact CG2-CB 4.03Å; I25-F30 HydrophobicContact CG2-CD2 4.4Å; E26-F30 PolarHBondContact O-N 3.47Å; F30-C34 WeakPolarHBondContact CE1-SG 3.47Å; F30-C34 WeakPolarHBondContact O-CB 3.4Å; F30-C34 PolarHBondContact O-N 3.4Å; F30-C34 PolarHBondContact O-SG 3Å; F30-I47 HydrophobicContact CE1-CB 4.4Å; F30-I47 HydrophobicContact CE1-CG2 4.22Å; F30-I47 HydrophobicContact CZ-CB 4.37Å; F30-I47 HydrophobicContact CZ-CG2 3.72Å; F30-F48 HydrophobicContact CB-CD2 3.72Å; F30-F48 HydrophobicContact CB-CE2 3.99Å; F30-F48 HydrophobicContact CD1-CB 3.93Å; F30-F48 AromaticContact CD1-CD2 3.67Å; F30-F48 HydrophobicContact CD1-CD2 3.67Å; F30-F48 HydrophobicContact CD1-CG 4.27Å; F30-F48 HydrophobicContact CD2-CD2 4.36Å; F30-F48 HydrophobicContact CE1-CB 4.05Å; F30-F48 HydrophobicContact CE1-CD2 4.39Å; F30-F48 AromaticContact CG-CD2 3.65Å; F30-F48 HydrophobicContact CG-CD2 3.65Å; F30-F48 HydrophobicContact CG-CE2 4.34Å; F30-L51 HydrophobicContact CE2-CD1 4.18Å; F30-L51 HydrophobicContact CZ-CD1 4.28Å
31S67.9Low68Low52 Ų5278.2 Ų78.236%0.36442%0.419SS..Hα-helixtrans-66.8-37.7175.9-172.20000112.8K27 N28 E29 Q35K27-S31 VanDerWaalsContact O-CB 3.23Å; K27-S31 WeakPolarHBondContact O-CB 3.23Å; K27-S31 PolarHBondContact O-N 2.68Å; N28-S31 PolarHBondContact O-N 2.92Å; E29-S31 VanDerWaalsContact C-N 3.26Å; E29-S31 PolarHBondContact O-N 2.83Å; S31-Q35 WeakPolarHBondContact O-CB 3.45Å; S31-Q35 PolarHBondContact O-N 3.44Å; S31-Q35 VanDerWaalsContact O-N 3.08Å
32A67Low68.1Low58 Ų5881 Ų8148%0.47943%0.429SS..Hα-helixtrans-66.6-45.4176.500000111.4N28 E29 C34 Q35 E36N28-A32 PolarHBondContact O-N 3.27Å; N28-A32 VanDerWaalsContact O-N 3.09Å; E29-A32 PolarHBondContact O-N 3.41Å; E29-A32 VanDerWaalsContact O-N 3.07Å; A32-C34 PolarHBondContact O-N 3.37Å; A32-Q35 WeakPolarHBondContact O-CB 3.49Å; A32-Q35 PolarHBondContact O-N 3.02Å; A32-Q35 VanDerWaalsContact O-N 3.16Å; A32-E36 PolarHBondContact O-N 2.97Å
33I63.5Low67.7Low30 Ų3083.1 Ų83.115%0.15443%0.431CS..Hα-helixtrans-64.6-40.6177.6-63.7159000110.9Y17 E29 Q35 E36 L37Y17-I33 HydrophobicContact CD1-CD1 3.85Å; Y17-I33 HydrophobicContact CD1-CG2 4.11Å; Y17-I33 HydrophobicContact CE1-CG2 4.06Å; Y17-I33 HydrophobicContact CG-CD1 4.24Å; E29-I33 WeakPolarHBondContact O-CG1 3.41Å; E29-I33 PolarHBondContact O-N 3.06Å; I33-Q35 VanDerWaalsContact C-N 3.29Å; I33-Q35 PolarHBondContact O-N 3.05Å; I33-E36 PolarHBondContact O-N 2.98Å; I33-L37 HydrophobicContact CG2-CD1 3.96Å; I33-L37 HydrophobicContact CG2-CG 4.49Å; I33-L37 WeakPolarHBondContact O-CB 3.28Å; I33-L37 WeakPolarHBondContact O-CG 3.25Å; I33-L37 PolarHBondContact O-N 3.19Å
34C66.1Low67.5Low11 Ų1181.8 Ų81.87%0.07442%0.417CS..Hα-helixtrans-62.8-35.3173.9-73.40000112.7F30 A32 L37 Q38 V39 A44F30-C34 WeakPolarHBondContact CE1-SG 3.47Å; F30-C34 WeakPolarHBondContact O-CB 3.4Å; F30-C34 PolarHBondContact O-N 3.4Å; F30-C34 PolarHBondContact O-SG 3Å; A32-C34 PolarHBondContact O-N 3.37Å; C34-L37 CarbonylContact O-C 3.57Å; C34-L37 PolarHBondContact O-N 2.91Å; C34-Q38 PolarHBondContact O-N 3.39Å; C34-V39 HydrophobicContact CB-CB 4.18Å; C34-V39 PolarHBondContact O-N 3.4Å; C34-A44 HydrophobicContact CB-CB 3.66Å
35Q65.3Low67.1Low146 Ų14682.2 Ų82.268%0.68242%0.423SS*.Hα-helixtrans-69.9-36.2176.2-173.2173.7-3.500112.1S31 A32 I33 Q38S31-Q35 WeakPolarHBondContact O-CB 3.45Å; S31-Q35 PolarHBondContact O-N 3.44Å; S31-Q35 VanDerWaalsContact O-N 3.08Å; A32-Q35 WeakPolarHBondContact O-CB 3.49Å; A32-Q35 PolarHBondContact O-N 3.02Å; A32-Q35 VanDerWaalsContact O-N 3.16Å; I33-Q35 VanDerWaalsContact C-N 3.29Å; I33-Q35 PolarHBondContact O-N 3.05Å; Q35-Q38 PolarHBondContact O-N 3.28Å
36E59.9Low66.8Low164 Ų16485 Ų8577%0.76644%0.443SS*.Hα-helixtrans-67.8-37.5172.9-170.6168.6-163.600112A32 I33 Q38A32-E36 PolarHBondContact O-N 2.97Å; I33-E36 PolarHBondContact O-N 2.98Å; E36-Q38 VanDerWaalsContact C-N 3.26Å; E36-Q38 PolarHBondContact O-N 2.7Å
37L58.3Low66.4Low111 Ų11183 Ų8358%0.58143%0.434SS*.THydrogen-bonded Turntrans-81.17.4175.2-65.2174.3000114.6I33 C34 V39I33-L37 HydrophobicContact CG2-CD1 3.96Å; I33-L37 HydrophobicContact CG2-CG 4.49Å; I33-L37 WeakPolarHBondContact O-CB 3.28Å; I33-L37 WeakPolarHBondContact O-CG 3.25Å; I33-L37 PolarHBondContact O-N 3.19Å; C34-L37 CarbonylContact O-C 3.57Å; C34-L37 PolarHBondContact O-N 2.91Å; L37-V39 HydrophobicContact CB-CG2 4.22Å; L37-V39 PolarHBondContact O-N 2.88Å
38Q53.8Low66.5Low179 Ų17979.1 Ų79.184%0.83642%0.418SS*.THydrogen-bonded Turntrans58.123.6180-53.2-173.4700115.6C34 Q35 E36C34-Q38 PolarHBondContact O-N 3.39Å; Q35-Q38 PolarHBondContact O-N 3.28Å; E36-Q38 VanDerWaalsContact C-N 3.26Å; E36-Q38 PolarHBondContact O-N 2.7Å
39V65.6Low66.7Low43 Ų4377.3 Ų77.326%0.26141%0.414SS..  trans-75.6134.1176.2-179.30000109.8C34 L37 T41 E43 A44C34-V39 HydrophobicContact CB-CB 4.18Å; C34-V39 PolarHBondContact O-N 3.4Å; L37-V39 HydrophobicContact CB-CG2 4.22Å; L37-V39 PolarHBondContact O-N 2.88Å; V39-T41 PolarHBondContact O-N 3.37Å; V39-E43 HydrophobicContact CG1-CB 4.15Å; V39-A44 HydrophobicContact CG1-CB 4.48Å
40P68.9Low66.6Low71 Ų7184.9 Ų84.946%0.46144%0.441SS..  trans-57.7137.3176.2-2433.9000112E42 E43 A44P40-E42 VanDerWaalsContact C-N 3.26Å; P40-E42 PolarHBondContact O-N 2.87Å; P40-E43 HydrophobicContact CB-CB 4.4Å; P40-E43 HydrophobicContact CB-CG 4.24Å; P40-E43 HydrophobicContact CG-CG 4.41Å; P40-E43 WeakPolarHBondContact O-CA 3.35Å; P40-E43 PolarHBondContact O-N 2.82Å; P40-A44 PolarHBondContact O-N 2.92Å
41T63.7Low66.6Low95 Ų9584 Ų8458%0.58344%0.438SS*.Hα-helixtrans-60.4-33.6-176.147.40000113.3V39 E43 A44 E45V39-T41 PolarHBondContact O-N 3.37Å; T41-E43 VanDerWaalsContact C-N 3.32Å; T41-E43 PolarHBondContact O-N 3.25Å; T41-A44 PolarHBondContact O-N 2.87Å; T41-E45 PolarHBondContact O-N 3.09Å
42E64.7Low67.2Low166 Ų16682.8 Ų82.878%0.77643%0.427SS*.Hα-helixtrans-66.5-32174.5-61.3-175.4179.300112.5P40 S46P40-E42 VanDerWaalsContact C-N 3.26Å; P40-E42 PolarHBondContact O-N 2.87Å; E42-S46 WeakPolarHBondContact O-CB 3.32Å; E42-S46 PolarHBondContact O-N 3.38Å
43E64.8Low67.4Low113 Ų11383.8 Ų83.853%0.52844%0.435SS..Hα-helixtrans-78.3-38.4173.6-65.5-169.4166.500111.4V39 P40 T41 E45 S46 I47V39-E43 HydrophobicContact CG1-CB 4.15Å; P40-E43 HydrophobicContact CB-CB 4.4Å; P40-E43 HydrophobicContact CB-CG 4.24Å; P40-E43 HydrophobicContact CG-CG 4.41Å; P40-E43 WeakPolarHBondContact O-CA 3.35Å; P40-E43 PolarHBondContact O-N 2.82Å; T41-E43 VanDerWaalsContact C-N 3.32Å; T41-E43 PolarHBondContact O-N 3.25Å; E43-E45 PolarHBondContact O-N 3.45Å; E43-S46 CarbonylContact O-C 3.57Å; E43-S46 WeakPolarHBondContact O-CB 3.38Å; E43-S46 PolarHBondContact O-N 3.05Å; E43-I47 VanDerWaalsContact O-CG1 3.25Å; E43-I47 WeakPolarHBondContact O-CG1 3.35Å; E43-I47 PolarHBondContact O-N 3.04Å
44A66.6Low68Low5 Ų587.6 Ų87.64%0.04146%0.456CS..Hα-helixtrans-59.5-44.6175.400000112.1C34 V39 P40 T41 I47 F48C34-A44 HydrophobicContact CB-CB 3.66Å; V39-A44 HydrophobicContact CG1-CB 4.48Å; P40-A44 PolarHBondContact O-N 2.92Å; T41-A44 PolarHBondContact O-N 2.87Å; A44-I47 PolarHBondContact O-N 2.74Å; A44-F48 WeakPolarHBondContact O-CB 3.33Å; A44-F48 PolarHBondContact O-N 2.9Å
45E68.4Low68.3Low108 Ų10889.9 Ų89.951%0.50548%0.482SS..Hα-helixtrans-64.3-39.9174.1-69-161124.800112.2K27 T41 E43 I47 F48 S49K27-E45 WeakPolarHBondContact CE-OE1 3.33Å; K27-E45 IonicContact NZ-OE1 3.31Å; K27-E45 PolarHBondContact NZ-OE1 3.24Å; T41-E45 PolarHBondContact O-N 3.09Å; E43-E45 PolarHBondContact O-N 3.45Å; E45-I47 VanDerWaalsContact C-N 3.33Å; E45-I47 PolarHBondContact O-N 2.8Å; E45-F48 PolarHBondContact O-N 3.41Å; E45-S49 WeakPolarHBondContact O-CB 3.48Å; E45-S49 PolarHBondContact O-N 2.84Å; E45-S49 PolarHBondContact O-OG 3.32Å; E45-S49 VanDerWaalsContact O-OG 3.04Å
46S70.3Confident69Low61 Ų6186.5 Ų86.543%0.42747%0.468SS..Hα-helixtrans-66.7-30.7177.1-174.50000113.4E42 E43 R50E42-S46 WeakPolarHBondContact O-CB 3.32Å; E42-S46 PolarHBondContact O-N 3.38Å; E43-S46 CarbonylContact O-C 3.57Å; E43-S46 WeakPolarHBondContact O-CB 3.38Å; E43-S46 PolarHBondContact O-N 3.05Å; S46-R50 WeakPolarHBondContact O-CD 3.47Å; S46-R50 WeakPolarHBondContact O-CG 3.29Å
47I70.8Confident69.6Low54 Ų5480.2 Ų80.228%0.27745%0.447SS..Hα-helixtrans-76.3-47.2173.1-66.2161.4000109.9F30 E43 A44 E45 S49 R50 L51F30-I47 HydrophobicContact CE1-CB 4.4Å; F30-I47 HydrophobicContact CE1-CG2 4.22Å; F30-I47 HydrophobicContact CZ-CB 4.37Å; F30-I47 HydrophobicContact CZ-CG2 3.72Å; E43-I47 VanDerWaalsContact O-CG1 3.25Å; E43-I47 WeakPolarHBondContact O-CG1 3.35Å; E43-I47 PolarHBondContact O-N 3.04Å; A44-I47 PolarHBondContact O-N 2.74Å; E45-I47 VanDerWaalsContact C-N 3.33Å; E45-I47 PolarHBondContact O-N 2.8Å; I47-S49 PolarHBondContact O-N 2.91Å; I47-R50 PolarHBondContact O-N 3.38Å; I47-L51 HydrophobicContact CG2-CD1 3.98Å; I47-L51 HydrophobicContact CG2-CG 4.37Å; I47-L51 PolarHBondContact O-N 3.38Å; I47-L51 VanDerWaalsContact O-N 3.08Å
48F75.3Confident70.5Confident7 Ų776 Ų763%0.03143%0.426CS..Hα-helixtrans-57.7-50.6179.5-170-88.7000111.3K27 F30 A44 E45 R50 L51 D52 G57 V59K27-F48 VanDerWaalsContact CA-CE2 3.47Å; K27-F48 HydrophobicContact CB-CD1 4.22Å; K27-F48 HydrophobicContact CB-CD2 4.44Å; K27-F48 HydrophobicContact CB-CE1 3.76Å; K27-F48 HydrophobicContact CB-CE2 3.99Å; K27-F48 HydrophobicContact CB-CZ 3.62Å; K27-F48 HydrophobicContact CD-CD1 4.22Å; K27-F48 HydrophobicContact CD-CE1 4.36Å; K27-F48 HydrophobicContact CG-CD1 3.99Å; K27-F48 HydrophobicContact CG-CD2 4.41Å; K27-F48 HydrophobicContact CG-CE1 4.04Å; K27-F48 HydrophobicContact CG-CE2 4.44Å; K27-F48 HydrophobicContact CG-CG 4.18Å; K27-F48 HydrophobicContact CG-CZ 4.27Å; F30-F48 HydrophobicContact CB-CD2 3.72Å; F30-F48 HydrophobicContact CB-CE2 3.99Å; F30-F48 HydrophobicContact CD1-CB 3.93Å; F30-F48 AromaticContact CD1-CD2 3.67Å; F30-F48 HydrophobicContact CD1-CD2 3.67Å; F30-F48 HydrophobicContact CD1-CG 4.27Å; F30-F48 HydrophobicContact CD2-CD2 4.36Å; F30-F48 HydrophobicContact CE1-CB 4.05Å; F30-F48 HydrophobicContact CE1-CD2 4.39Å; F30-F48 AromaticContact CG-CD2 3.65Å; F30-F48 HydrophobicContact CG-CD2 3.65Å; F30-F48 HydrophobicContact CG-CE2 4.34Å; A44-F48 WeakPolarHBondContact O-CB 3.33Å; A44-F48 PolarHBondContact O-N 2.9Å; E45-F48 PolarHBondContact O-N 3.41Å; F48-R50 PolarHBondContact O-N 3.24Å; F48-L51 PolarHBondContact O-N 3.46Å; F48-D52 HydrophobicContact CD1-CB 4.29Å; F48-D52 HydrophobicContact CE1-CB 4.07Å; F48-D52 WeakPolarHBondContact O-CB 3.29Å; F48-D52 PolarHBondContact O-N 2.75Å; F48-G57 WeakPolarHBondContact CZ-O 3.43Å; F48-V59 HydrophobicContact CD2-CG2 4Å; F48-V59 HydrophobicContact CE1-CG2 4.49Å; F48-V59 HydrophobicContact CE2-CG2 3.6Å; F48-V59 HydrophobicContact CZ-CG2 3.87Å
49S73.3Confident71.8Confident80 Ų8067.5 Ų67.556%0.55939%0.386SS*.Hα-helixtrans-71.611.9177.770.70000115E45 I47E45-S49 WeakPolarHBondContact O-CB 3.48Å; E45-S49 PolarHBondContact O-N 2.84Å; E45-S49 PolarHBondContact O-OG 3.32Å; E45-S49 VanDerWaalsContact O-OG 3.04Å; I47-S49 PolarHBondContact O-N 2.91Å
50R70.4Confident72.4Confident198 Ų19866.9 Ų66.975%0.74738%0.383SS*.Hα-helixtrans-123.2-10.6171-73.4177.561.5-168.7-3.4112.9S46 I47 F48S46-R50 WeakPolarHBondContact O-CD 3.47Å; S46-R50 WeakPolarHBondContact O-CG 3.29Å; I47-R50 PolarHBondContact O-N 3.38Å; F48-R50 PolarHBondContact O-N 3.24Å
51L73.9Confident72.7Confident13 Ų1366.2 Ų66.27%0.06838%0.375CS..Hα-helixtrans-93.7-44.1167.9-65.8176.5000109.8F30 I47 F48 A53 V59 E63 F68F30-L51 HydrophobicContact CE2-CD1 4.18Å; F30-L51 HydrophobicContact CZ-CD1 4.28Å; I47-L51 HydrophobicContact CG2-CD1 3.98Å; I47-L51 HydrophobicContact CG2-CG 4.37Å; I47-L51 PolarHBondContact O-N 3.38Å; I47-L51 VanDerWaalsContact O-N 3.08Å; F48-L51 PolarHBondContact O-N 3.46Å; L51-A53 PolarHBondContact O-N 3.18Å; L51-V59 HydrophobicContact CB-CG1 3.94Å; L51-V59 HydrophobicContact CB-CG2 3.85Å; L51-E63 WeakPolarHBondContact O-CB 3.27Å; L51-F68 HydrophobicContact CD1-CE2 4.26Å; L51-F68 HydrophobicContact CD2-CD2 4.33Å; L51-F68 HydrophobicContact CD2-CE2 4.41Å
52D80.5Confident73.1Confident26 Ų2669.3 Ų69.314%0.13938%0.383CS..  trans-6499.2166178.72.9000108.5F48 G55 D56 G57 V59F48-D52 HydrophobicContact CD1-CB 4.29Å; F48-D52 HydrophobicContact CE1-CB 4.07Å; F48-D52 WeakPolarHBondContact O-CB 3.29Å; F48-D52 PolarHBondContact O-N 2.75Å; D52-G55 WeakPolarHBondContact OD1-CA 3.26Å; D52-G55 PolarHBondContact OD1-N 3.24Å; D52-D56 PolarHBondContact OD1-N 3.2Å; D52-G57 VanDerWaalsContact OD2-CA 3.29Å; D52-G57 WeakPolarHBondContact OD2-CA 3.4Å; D52-G57 PolarHBondContact OD2-N 2.97Å; D52-V59 HydrophobicContact CB-CG2 4.2Å
53A70.6Confident73.7Confident78 Ų7862.3 Ų62.365%0.64535%0.35SS*.  trans-105.2-24.3-167.900000112.7L51 E63L51-A53 PolarHBondContact O-N 3.18Å; A53-E63 HydrophobicContact CB-CG 4.27Å; A53-E63 PolarHBondContact N-OE1 3.26Å
54D76Confident74.1Confident111 Ų11157.1 Ų57.159%0.59433%0.326SS*.SBendtrans-90-19.3169.380.76.6000113.8D56 E63D54-D56 WeakPolarHBondContact OD1-CB 3.34Å; D54-D56 PolarHBondContact OD1-N 3.09Å; D54-E63 PolarHBondContact N-OE1 3.27Å
55G73.8Confident74.3Confident59 Ų5957.5 Ų57.561%0.60833%0.327SS*.  trans87.417.9176.800000114.5D52 G57D52-G55 WeakPolarHBondContact OD1-CA 3.26Å; D52-G55 PolarHBondContact OD1-N 3.24Å; G55-G57 VanDerWaalsContact C-N 3.27Å; G55-G57 PolarHBondContact O-N 3.47Å
56D78.8Confident74.3Confident75 Ų7555 Ų5540%0.40132%0.322SS..SBendtrans-74.3-13.3179.896.29.8000114.6R24 D52 D54 T58R24-D56 IonicContact CZ-OD2 3.66Å; R24-D56 IonicContact NH1-OD1 3.63Å; R24-D56 PolarHBondContact NH1-OD1 3.45Å; R24-D56 IonicContact NH1-OD2 3.29Å; R24-D56 PolarHBondContact NH1-OD2 2.99Å; R24-D56 IonicContact NH2-OD2 3.44Å; R24-D56 PolarHBondContact NH2-OD2 3.27Å; D52-D56 PolarHBondContact OD1-N 3.2Å; D54-D56 WeakPolarHBondContact OD1-CB 3.34Å; D54-D56 PolarHBondContact OD1-N 3.09Å; D56-T58 PolarHBondContact OD1-N 2.79Å; D56-T58 PolarHBondContact OD1-OG1 2.87Å
57G72.6Confident74.1Confident31 Ų3153.2 Ų53.232%0.3231%0.312SS..SBendtrans944.3177.400000114.7F48 D52 G55F48-G57 WeakPolarHBondContact CZ-O 3.43Å; D52-G57 VanDerWaalsContact OD2-CA 3.29Å; D52-G57 WeakPolarHBondContact OD2-CA 3.4Å; D52-G57 PolarHBondContact OD2-N 2.97Å; G55-G57 VanDerWaalsContact C-N 3.27Å; G55-G57 PolarHBondContact O-N 3.47Å
58T78.5Confident73.6Confident22 Ų2254 Ų5414%0.13531%0.314CS..EExtended strand (participates in β ladder)trans-132.5140.9173.668.20000110.3R24 E26 D56R24-T58 PolarHBondContact NH1-OG1 2.88Å; E26-T58 HydrophobicContact CG-CG2 4.19Å; D56-T58 PolarHBondContact OD1-N 2.79Å; D56-T58 PolarHBondContact OD1-OG1 2.87Å
59V79.9Confident72.7Confident1 Ų155.8 Ų55.81%0.00633%0.326CS..EExtended strand (participates in β ladder)trans-91.9118.2-179.9-179.60000109.5I25 F48 L51 D52 E63 F64I25-V59 PolarHBondContact N-O 2.93Å; I25-V59 PolarHBondContact O-N 3.31Å; F48-V59 HydrophobicContact CD2-CG2 4Å; F48-V59 HydrophobicContact CE1-CG2 4.49Å; F48-V59 HydrophobicContact CE2-CG2 3.6Å; F48-V59 HydrophobicContact CZ-CG2 3.87Å; L51-V59 HydrophobicContact CB-CG1 3.94Å; L51-V59 HydrophobicContact CB-CG2 3.85Å; D52-V59 HydrophobicContact CB-CG2 4.2Å; V59-E63 HydrophobicContact CG1-CB 4.26Å; V59-F64 HydrophobicContact CG1-CB 3.91Å; V59-F64 HydrophobicContact CG1-CD2 4.43Å
60T79.8Confident71.6Confident31 Ų3157.3 Ų57.319%0.1933%0.328CS..EExtended strand (participates in β ladder)trans-79.8161.8174.968.30000112.3R24 E62 E63 F64R24-T60 HydrophobicContact CG-CG2 4.42Å; T60-E62 VanDerWaalsContact C-N 3.27Å; T60-E62 PolarHBondContact O-N 3.12Å; T60-E63 VanDerWaalsContact CB-OE2 3.31Å; T60-E63 WeakPolarHBondContact CB-OE2 3.36Å; T60-E63 WeakPolarHBondContact CG2-OE2 3.37Å; T60-E63 PolarHBondContact N-OE2 3.46Å; T60-E63 PolarHBondContact O-N 3.38Å; T60-E63 WeakPolarHBondContact OG1-CG 3.45Å; T60-E63 PolarHBondContact OG1-OE2 3.42Å; T60-F64 WeakPolarHBondContact O-CB 3.38Å; T60-F64 PolarHBondContact O-N 2.98Å
61L74.6Confident70.4Confident56 Ų5655.1 Ų55.129%0.29332%0.319SS..Hα-helixtrans-57.9-35.6177.8176.162.4000113.3R11 F14 L65R11-L61 HydrophobicContact CG-CD1 4Å; R11-L61 HydrophobicContact CG-CD2 4.34Å; F14-L61 HydrophobicContact CB-CD1 3.6Å; F14-L61 HydrophobicContact CD1-CB 4.13Å; F14-L61 HydrophobicContact CD1-CD1 3.75Å; F14-L61 HydrophobicContact CD1-CG 4.44Å; F14-L61 HydrophobicContact CD2-CB 4.4Å; F14-L61 HydrophobicContact CD2-CD1 3.99Å; F14-L61 HydrophobicContact CE1-CB 3.94Å; F14-L61 HydrophobicContact CE1-CD1 4.43Å; F14-L61 HydrophobicContact CE2-CB 4.21Å; F14-L61 HydrophobicContact CG-CB 4.36Å; F14-L61 HydrophobicContact CG-CD1 3.49Å; F14-L61 VanDerWaalsContact CG-CD1 3.49Å; F14-L61 HydrophobicContact CZ-CB 3.97Å; L61-L65 HydrophobicContact CD1-CD1 3.99Å; L61-L65 HydrophobicContact CD1-CG 4.18Å; L61-L65 HydrophobicContact CG-CD1 4.01Å; L61-L65 WeakPolarHBondContact O-CB 2.94Å; L61-L65 WeakPolarHBondContact O-CD1 3.38Å; L61-L65 WeakPolarHBondContact O-CG 3.39Å; L61-L65 PolarHBondContact O-N 2.83Å
62E71.8Confident68.9Low160 Ų16059.4 Ų59.475%0.74834%0.34SS*.Hα-helixtrans-73.8-35.1-179.4-60.3-158.1149.400112.1T60 S66T60-E62 VanDerWaalsContact C-N 3.27Å; T60-E62 PolarHBondContact O-N 3.12Å; E62-S66 WeakPolarHBondContact O-CB 3.25Å; E62-S66 PolarHBondContact O-N 3.01Å
63E76.8Confident66.9Low19 Ų1964.3 Ų64.39%0.08937%0.366CS..Hα-helixtrans-70.5-45.6173.5-72.1170.1116.400112.6L51 A53 D54 V59 T60 L65 S66 G67L51-E63 WeakPolarHBondContact O-CB 3.27Å; A53-E63 HydrophobicContact CB-CG 4.27Å; A53-E63 PolarHBondContact N-OE1 3.26Å; D54-E63 PolarHBondContact N-OE1 3.27Å; V59-E63 HydrophobicContact CG1-CB 4.26Å; T60-E63 VanDerWaalsContact CB-OE2 3.31Å; T60-E63 WeakPolarHBondContact CB-OE2 3.36Å; T60-E63 WeakPolarHBondContact CG2-OE2 3.37Å; T60-E63 PolarHBondContact N-OE2 3.46Å; T60-E63 PolarHBondContact O-N 3.38Å; T60-E63 WeakPolarHBondContact OG1-CG 3.45Å; T60-E63 PolarHBondContact OG1-OE2 3.42Å; E63-L65 VanDerWaalsContact C-N 3.29Å; E63-L65 PolarHBondContact O-N 2.88Å; E63-S66 PolarHBondContact O-N 3.06Å; E63-S66 VanDerWaalsContact O-N 3.09Å; E63-S66 PolarHBondContact O-OG 3.45Å; E63-G67 PolarHBondContact O-N 3.32Å
64F73.8Confident65.3Low5 Ų567.2 Ų67.22%0.02237%0.37CS..Hα-helixtrans-56.3-45.9173.7-174.1-94.9000110.9L10 F14 Y17 I25 V59 T60 S66 F68L10-F64 HydrophobicContact CD2-CE1 4.47Å; F14-F64 HydrophobicContact CB-CD1 4.07Å; F14-F64 HydrophobicContact CB-CE1 4.16Å; F14-F64 HydrophobicContact CD2-CB 3.68Å; F14-F64 AromaticContact CD2-CD1 3.86Å; F14-F64 HydrophobicContact CD2-CD1 3.86Å; F14-F64 HydrophobicContact CD2-CD2 4.13Å; F14-F64 AromaticContact CD2-CG 3.64Å; F14-F64 HydrophobicContact CD2-CG 3.64Å; F14-F64 HydrophobicContact CE2-CB 3.99Å; F14-F64 HydrophobicContact CE2-CG 4.35Å; F14-F64 HydrophobicContact CG-CD1 4.46Å; Y17-F64 HydrophobicContact CD2-CE2 4.45Å; Y17-F64 HydrophobicContact CD2-CZ 4.08Å; Y17-F64 HydrophobicContact CE2-CZ 4.26Å; I25-F64 HydrophobicContact CD1-CD2 4.23Å; I25-F64 HydrophobicContact CD1-CE2 4.29Å; V59-F64 HydrophobicContact CG1-CB 3.91Å; V59-F64 HydrophobicContact CG1-CD2 4.43Å; T60-F64 WeakPolarHBondContact O-CB 3.38Å; T60-F64 PolarHBondContact O-N 2.98Å; F64-S66 PolarHBondContact O-N 3.08Å; F64-F68 HydrophobicContact CD1-CD2 4.45Å; F64-F68 HydrophobicContact CD2-CD2 4.36Å; F64-F68 HydrophobicContact CD2-CE2 4.12Å; F64-F68 HydrophobicContact CE1-CD2 4.31Å; F64-F68 HydrophobicContact CE1-CE2 4.39Å; F64-F68 HydrophobicContact CE2-CD2 4.22Å; F64-F68 AromaticContact CE2-CE2 3.66Å; F64-F68 HydrophobicContact CE2-CE2 3.66Å; F64-F68 HydrophobicContact CE2-CZ 4.5Å; F64-F68 HydrophobicContact CG-CD2 4.47Å; F64-F68 HydrophobicContact CZ-CD2 4.2Å; F64-F68 AromaticContact CZ-CE2 3.82Å; F64-F68 HydrophobicContact CZ-CE2 3.82Å; F64-F68 HydrophobicContact CZ-CZ 4.44Å; F64-F68 WeakPolarHBondContact O-CD2 3.29Å; F64-F68 PolarHBondContact O-N 3.05Å
65L70Confident63.2Low13 Ų1367.6 Ų67.67%0.06837%0.368CS..Hα-helixtrans-62-42.3175-75.4167.9000112.2R7 L10 R11 L61 E63 T69R7-L65 HydrophobicContact CG-CD2 4.39Å; L10-L65 HydrophobicContact CB-CD2 3.45Å; L10-L65 VanDerWaalsContact CB-CD2 3.45Å; L10-L65 HydrophobicContact CD1-CD2 4.14Å; L10-L65 HydrophobicContact CG-CD2 4.45Å; R11-L65 HydrophobicContact CG-CD1 4.14Å; R11-L65 HydrophobicContact CG-CD2 4.43Å; L61-L65 HydrophobicContact CD1-CD1 3.99Å; L61-L65 HydrophobicContact CD1-CG 4.18Å; L61-L65 HydrophobicContact CG-CD1 4.01Å; L61-L65 WeakPolarHBondContact O-CB 2.94Å; L61-L65 WeakPolarHBondContact O-CD1 3.38Å; L61-L65 WeakPolarHBondContact O-CG 3.39Å; L61-L65 PolarHBondContact O-N 2.83Å; E63-L65 VanDerWaalsContact C-N 3.29Å; E63-L65 PolarHBondContact O-N 2.88Å; L65-T69 PolarHBondContact O-N 3.41Å; L65-T69 VanDerWaalsContact O-N 3.09Å; L65-T69 PolarHBondContact O-OG1 2.91Å
66S68.8Low61.2Low56 Ų5670 Ų7039%0.39237%0.371SS..Hα-helixtrans-67-50.3-176.876.40000112.1E62 E63 F64 F68 T69 D70E62-S66 WeakPolarHBondContact O-CB 3.25Å; E62-S66 PolarHBondContact O-N 3.01Å; E63-S66 PolarHBondContact O-N 3.06Å; E63-S66 VanDerWaalsContact O-N 3.09Å; E63-S66 PolarHBondContact O-OG 3.45Å; F64-S66 PolarHBondContact O-N 3.08Å; S66-F68 VanDerWaalsContact C-N 3.31Å; S66-F68 PolarHBondContact O-N 3.14Å; S66-T69 WeakPolarHBondContact CA-OG1 3.45Å; S66-T69 PolarHBondContact O-N 3.18Å; S66-T69 VanDerWaalsContact O-N 3.07Å; S66-T69 PolarHBondContact O-OG1 2.8Å; S66-D70 PolarHBondContact O-N 2.84Å
67G65.8Low58.9Low22 Ų2275.4 Ų75.423%0.22739%0.394CS..Hα-helixtrans-63.5-32.7-178.500000113.8E63 R71E63-G67 PolarHBondContact O-N 3.32Å; G67-R71 PolarHBondContact O-N 2.86Å
68F60.8Low56.9Low70 Ų7081 Ų8131%0.30741%0.412SS..Hα-helixtrans-75.5-34.6171.7-85.2-90.2000113L10 L51 F64 S66 R71 M72L10-F68 HydrophobicContact CD1-CB 4.07Å; L10-F68 HydrophobicContact CD2-CB 4.03Å; L10-F68 HydrophobicContact CD2-CD1 4.28Å; L10-F68 HydrophobicContact CD2-CG 4.14Å; L51-F68 HydrophobicContact CD1-CE2 4.26Å; L51-F68 HydrophobicContact CD2-CD2 4.33Å; L51-F68 HydrophobicContact CD2-CE2 4.41Å; F64-F68 HydrophobicContact CD1-CD2 4.45Å; F64-F68 HydrophobicContact CD2-CD2 4.36Å; F64-F68 HydrophobicContact CD2-CE2 4.12Å; F64-F68 HydrophobicContact CE1-CD2 4.31Å; F64-F68 HydrophobicContact CE1-CE2 4.39Å; F64-F68 HydrophobicContact CE2-CD2 4.22Å; F64-F68 AromaticContact CE2-CE2 3.66Å; F64-F68 HydrophobicContact CE2-CE2 3.66Å; F64-F68 HydrophobicContact CE2-CZ 4.5Å; F64-F68 HydrophobicContact CG-CD2 4.47Å; F64-F68 HydrophobicContact CZ-CD2 4.2Å; F64-F68 AromaticContact CZ-CE2 3.82Å; F64-F68 HydrophobicContact CZ-CE2 3.82Å; F64-F68 HydrophobicContact CZ-CZ 4.44Å; F64-F68 WeakPolarHBondContact O-CD2 3.29Å; F64-F68 PolarHBondContact O-N 3.05Å; S66-F68 VanDerWaalsContact C-N 3.31Å; S66-F68 PolarHBondContact O-N 3.14Å; F68-R71 PolarHBondContact O-N 2.74Å; F68-M72 PolarHBondContact O-N 3.01Å
69T55.5Low54.5Low46 Ų4689.4 Ų89.428%0.28245%0.446SS..Hα-helixtrans-66.2-38.7172.642.20000113.4L65 S66 R71 M72 N73L65-T69 PolarHBondContact O-N 3.41Å; L65-T69 VanDerWaalsContact O-N 3.09Å; L65-T69 PolarHBondContact O-OG1 2.91Å; S66-T69 WeakPolarHBondContact CA-OG1 3.45Å; S66-T69 PolarHBondContact O-N 3.18Å; S66-T69 VanDerWaalsContact O-N 3.07Å; S66-T69 PolarHBondContact O-OG1 2.8Å; T69-R71 VanDerWaalsContact C-N 3.27Å; T69-R71 PolarHBondContact O-N 2.86Å; T69-M72 PolarHBondContact O-N 2.97Å; T69-N73 PolarHBondContact O-N 2.84Å
70D51.7Low52Low112 Ų11294.7 Ų94.760%0.59948%0.484SS*.Hα-helixtrans-64.9-32.5176-88.53.8000112.1S66S66-D70 PolarHBondContact O-N 2.84Å
71R44.7Very low50Low151 Ų15197.9 Ų97.957%0.5750%0.498SS*.Hα-helixtrans-75.7-35173.7-162.6173.8-177.4174.20.6112.9G67 F68 T69 L74G67-R71 PolarHBondContact O-N 2.86Å; F68-R71 PolarHBondContact O-N 2.74Å; T69-R71 VanDerWaalsContact C-N 3.27Å; T69-R71 PolarHBondContact O-N 2.86Å; R71-L74 WeakPolarHBondContact O-CB 3.19Å; R71-L74 PolarHBondContact O-N 3.35Å
72M42Very low48.4Very low104 Ų104101.3 Ų101.351%0.51252%0.517SS..Hα-helixtrans-71.6-34.7176.6-78.4-64.8-171.700113.1F68 T69 L74 H75 V76F68-M72 PolarHBondContact O-N 3.01Å; T69-M72 PolarHBondContact O-N 2.97Å; M72-L74 PolarHBondContact O-N 3.33Å; M72-H75 PolarHBondContact O-N 2.86Å; M72-V76 WeakPolarHBondContact O-CG2 3.16Å; M72-V76 PolarHBondContact O-N 3.39Å; M72-V76 VanDerWaalsContact O-N 3.08Å
73N38.7Very low46.5Very low128 Ų128102.9 Ų102.968%0.68452%0.521SS*.THydrogen-bonded Turntrans-60.6-13.3169.4-80.2-22.1000113.4T69T69-N73 PolarHBondContact O-N 2.84Å
74L36.8Very low44.5Very low140 Ų140110 Ų11073%0.73356%0.555SS**THydrogen-bonded Turntrans-103.65.3173.8-76.1164.4000114.1R71 M72R71-L74 WeakPolarHBondContact O-CB 3.19Å; R71-L74 PolarHBondContact O-N 3.35Å; M72-L74 PolarHBondContact O-N 3.33Å
75H31.6Very low42.7Very low119 Ų119114.6 Ų114.655%0.55158%0.576SS**THydrogen-bonded Turntrans-130.2-11.6179.1-87.510.8000114.8M72 E77M72-H75 PolarHBondContact O-N 2.86Å; H75-E77 VanDerWaalsContact C-N 3.29Å; H75-E77 PolarHBondContact O-N 2.94Å
76V31.8Very low41Very low108 Ų108118.8 Ų118.866%0.65560%0.602SS**THydrogen-bonded Turntrans-74.3-13.4178.4170.30000113.5M72 E78M72-V76 WeakPolarHBondContact O-CG2 3.16Å; M72-V76 PolarHBondContact O-N 3.39Å; M72-V76 VanDerWaalsContact O-N 3.08Å; V76-E78 PolarHBondContact O-N 3.03Å
77E30.1Very low39.3Very low190 Ų190122.9 Ų122.989%0.88862%0.617SS**THydrogen-bonded Turntrans-72.9-20.7178.2-69-160128.300114.8H75H75-E77 VanDerWaalsContact C-N 3.29Å; H75-E77 PolarHBondContact O-N 2.94Å
78E30.8Very low37.8Very low148 Ų148127.3 Ų127.369%0.69263%0.632SS**SBendtrans-92.3-19.1-166.4-99.8180162.100116.5V76V76-E78 PolarHBondContact O-N 3.03Å
79F28.1Very low36.5Very low198 Ų198131.4 Ų131.487%0.86865%0.65SS**SBendtrans-125.263.6-173.5-92.6-90.2000114.6
80S28.4Very low35.6Very low113 Ų113134.5 Ų134.579%0.7966%0.663SS**  trans-15046.5164.4-82.30000113.7
81I38.2Very low34.7Very low97 Ų97135.9 Ų135.950%0.49767%0.666SS.*  trans-96115.3178.3-59.1-175.6000110.5
82N39.9Very low34.1Very low129 Ų129130.9 Ų130.969%0.6966%0.661SS**SBendtrans165.22.6136.1-91.6-49.1000117.4
83K31.2Very low33.4Very low192 Ų192133.3 Ų133.384%0.83567%0.669SS**SBendtrans-119.2-32.5174.7-88.6-177.9177.5171.20117.1
84E35.1Very low33.4Very low168 Ų168132.3 Ų132.379%0.78566%0.66SS**SBendtrans-92.4-32.2179.3-71.4175.3136.700112.7V86 M87 E88E84-V86 PolarHBondContact O-N 3.21Å; E84-V86 VanDerWaalsContact O-N 3.15Å; E84-M87 PolarHBondContact O-N 3.38Å; E84-E88 PolarHBondContact O-N 3.15Å
85Q35.9Very low33.1Very low102 Ų102132.4 Ų132.448%0.47766%0.661SS.*Hα-helixtrans-58.4-29.7176.9-72.2-169.3-6.800114.2M87 E88 F89Q85-M87 VanDerWaalsContact C-N 3.35Å; Q85-E88 PolarHBondContact O-N 3.43Å; Q85-F89 WeakPolarHBondContact O-CB 3.48Å; Q85-F89 PolarHBondContact O-N 3.25Å
86V35.7Very low33.1Very low101 Ų101136.9 Ų136.961%0.61267%0.673SS**Hα-helixtrans-69.8-32.6176.7-177.60000111.9E84E84-V86 PolarHBondContact O-N 3.21Å; E84-V86 VanDerWaalsContact O-N 3.15Å
87M32.5Very low33.1Very low143 Ų143140.1 Ų140.170%0.70468%0.675SS**Hα-helixtrans-77.8-40.6172.4-77.4-71.9-138.900111.5E84 Q85 I90 H91E84-M87 PolarHBondContact O-N 3.38Å; Q85-M87 VanDerWaalsContact C-N 3.35Å; M87-I90 PolarHBondContact O-N 2.92Å; M87-H91 PolarHBondContact O-N 2.82Å
88E34.8Very low33.3Very low115 Ų115134.6 Ų134.654%0.53767%0.669SS.*Hα-helixtrans-70.2-31.9179.6-159.6-178.3-176.500112.4E84 Q85 I90 H91 G92E84-E88 PolarHBondContact O-N 3.15Å; Q85-E88 PolarHBondContact O-N 3.43Å; E88-I90 PolarHBondContact O-N 3.25Å; E88-H91 PolarHBondContact O-N 2.59Å; E88-H91 VanDerWaalsContact O-N 3.11Å; E88-G92 WeakPolarHBondContact O-CA 3.45Å; E88-G92 PolarHBondContact O-N 3.42Å
89F33.7Very low33.7Very low156 Ų156135.7 Ų135.768%0.68467%0.674SS**Hα-helixtrans-58.8-30.9174.7-168.9-101.9000112.6Q85 F93Q85-F89 WeakPolarHBondContact O-CB 3.48Å; Q85-F89 PolarHBondContact O-N 3.25Å; F89-F93 HydrophobicContact CE2-CE2 4.42Å
90I35.1Very low34.1Very low111 Ų111132 Ų13257%0.56966%0.664SS**Hα-helixtrans-79.6-41.6175.4-61.7174.6000110.7M87 E88 R128M87-I90 PolarHBondContact O-N 2.92Å; E88-I90 PolarHBondContact O-N 3.25Å; I90-R128 PolarHBondContact O-NH1 2.96Å
91H33.2Very low34.3Very low141 Ų141134.8 Ų134.865%0.65367%0.666SS**Hα-helixtrans-90.8-30.1-173.4-99.1-81.9000116.3M87 E88 F93 R128M87-H91 PolarHBondContact O-N 2.82Å; E88-H91 PolarHBondContact O-N 2.59Å; E88-H91 VanDerWaalsContact O-N 3.11Å; H91-F93 PolarHBondContact O-N 3.38Å; H91-R128 VanDerWaalsContact O-CZ 3.31Å; H91-R128 PolarHBondContact O-NH1 3.19Å; H91-R128 VanDerWaalsContact O-NH1 3.09Å; H91-R128 PolarHBondContact O-NH2 3.4Å
92G31.9Very low34.5Very low45 Ų45140.2 Ų140.246%0.46469%0.689SS.*SBendtrans-75.6-15.9-169.800000116.2E88 H94E88-G92 WeakPolarHBondContact O-CA 3.45Å; E88-G92 PolarHBondContact O-N 3.42Å; G92-H94 PolarHBondContact O-N 3.02Å
93F28Very low34.1Very low155 Ų155138.8 Ų138.868%0.6869%0.689SS**THydrogen-bonded Turntrans-65.812.8-178.6-107.4-74000116.2F89 H91 R128F89-F93 HydrophobicContact CE2-CE2 4.42Å; H91-F93 PolarHBondContact O-N 3.38Å; F93-R128 VanDerWaalsContact O-CD 3.27Å; F93-R128 WeakPolarHBondContact O-CD 3.32Å
94H37.7Very low34.1Very low107 Ų107137.2 Ų137.250%0.49569%0.69SS.*THydrogen-bonded Turntrans-97.8-45.8-178.3-124-23.3000115G92 R128G92-H94 PolarHBondContact O-N 3.02Å; H94-R128 PolarHBondContact CD2-NE 3.33Å; H94-R128 PolarHBondContact CD2-NH2 3.07Å; H94-R128 VanDerWaalsContact CD2-NH2 3.34Å; H94-R128 PolarHBondContact NE2-NE 3.05Å
95D31.7Very low34.2Very low142 Ų142132.5 Ų132.576%0.75969%0.686SS**SBendtrans-123.119.2-141.6-88.7-19.2000116.3
96R32Very low34.3Very low214 Ų214131 Ų13181%0.80870%0.698SS**SBendtrans-12425.2-179.1-79.1-156.9-83.2-156.7-4118.2
97Y31.8Very low34.6Very low176 Ų176134.3 Ų134.369%0.6971%0.707SS**SBendtrans-143.357.1158.4-74.5-59000112.7R405Y97-R405 HydrophobicContact CE1-CG 4.21Å; Y97-R405 VanDerWaalsContact CE1-NH1 3.29Å; Y97-R405 WeakPolarHBondContact OH-CD 3.49Å
98G33.9Very low35.5Very low74 Ų74131.7 Ų131.776%0.76370%0.699SS**  trans-113.3-24.7-17500000117.9
99E39.5Very low36.5Very low171 Ų171127.8 Ų127.880%0.79968%0.684SS**  trans-121.5158.6-176.6-64.7-169.5144.700112.7R404E99-R404 PolarHBondContact O-NH2 2.61Å
100D35.4Very low37.8Very low120 Ų120126.6 Ų126.664%0.64268%0.684SS**SBendtrans87.943.2-167.3-59.1-22.9000117.1R404D100-R404 IonicContact OD2-CZ 2.64Å; D100-R404 IonicContact OD2-NE 2.67Å; D100-R404 IonicContact OD2-NH1 3.43Å; D100-R404 PolarHBondContact OD2-NH1 2.88Å; D100-R404 IonicContact OD2-NH2 2.7Å
101M33Very low39.1Very low171 Ų171123.2 Ų123.284%0.84267%0.672SS**  trans-151.198.6149.4-93.7-59.1168.100109.7S103M101-S103 PolarHBondContact O-N 3.37Å
102E41.8Very low40.8Very low212 Ų212116.8 Ų116.899%0.99164%0.642SS**  trans-70.879.3159-74.8-166.5131.700108.8
103S32.6Very low42.6Very low98 Ų98118.7 Ų118.769%0.68564%0.639SS**  trans-111.4114172.8179.60000109.3M101M101-S103 PolarHBondContact O-N 3.37Å
104D30.4Very low44.8Very low160 Ų160114.8 Ų114.886%0.85663%0.628SS**  trans-15.3130.6175.1-167.223.4000117.1G106D104-G106 PolarHBondContact O-N 2.97Å
105G37.6Very low46.5Very low68 Ų68109.8 Ų109.870%0.70161%0.605SS**  trans-68.381.6-164.400000115.1Q107G105-Q107 PolarHBondContact O-N 3.14Å; G105-Q107 VanDerWaalsContact O-N 3.1Å
106G37.7Very low48.4Very low71 Ų71105.8 Ų105.873%0.73258%0.582SS**  trans-60108.517000000111.6D104 V108D104-G106 PolarHBondContact O-N 2.97Å; G106-V108 PolarHBondContact O-N 2.9Å; G106-V108 VanDerWaalsContact O-N 3.16Å
107Q43.2Very low50.3Low171 Ų171102.8 Ų102.880%0.79958%0.575SS**PPolyproline II helixtrans-55.3117.8-176.5-66.6176.9-11.200112.2G105 S109 Q138G105-Q107 PolarHBondContact O-N 3.14Å; G105-Q107 VanDerWaalsContact O-N 3.1Å; Q107-S109 PolarHBondContact O-N 2.96Å; Q107-Q138 PolarHBondContact O-NE2 2.94Å; Q107-Q138 PolarHBondContact O-OE1 3.29Å
108V49.8Very low52.3Low87 Ų87101.5 Ų101.553%0.52757%0.568SS.*PPolyproline II helixtrans-60122.5161.1177.30000107.6G106 I110G106-V108 PolarHBondContact O-N 2.9Å; G106-V108 VanDerWaalsContact O-N 3.16Å; V108-I110 PolarHBondContact O-N 3.05Å
109S57.2Low54Low33 Ų3398.9 Ų98.923%0.23154%0.537CS..PPolyproline II helixtrans-64.1131.9-173.5-1750000111.5Q107 A111 W112 Q138Q107-S109 PolarHBondContact O-N 2.96Å; S109-A111 PolarHBondContact O-N 3.16Å; S109-A111 PolarHBondContact OG-N 3.42Å; S109-W112 WeakPolarHBondContact O-CB 3.43Å; S109-W112 PolarHBondContact O-N 3.42Å; S109-Q138 VanDerWaalsContact CB-OE1 3.3Å
110I60.7Low55.5Low132 Ų13292.7 Ų92.768%0.67752%0.519SS*.Hα-helixtrans-51.7-26174.5-60.8166.3000111.7V108 T114V108-I110 PolarHBondContact O-N 3.05Å; I110-T114 WeakPolarHBondContact O-CB 3.26Å; I110-T114 PolarHBondContact O-N 3.39Å; I110-T114 VanDerWaalsContact O-N 3.14Å; I110-T114 PolarHBondContact O-OG1 3.41Å
111A62Low56.8Low39 Ų3994 Ų9432%0.32252%0.522SS..Hα-helixtrans-65.6-34.7174.700000113.6S109 F115 Y137S109-A111 PolarHBondContact O-N 3.16Å; S109-A111 PolarHBondContact OG-N 3.42Å; A111-F115 PolarHBondContact O-N 2.88Å; A111-Y137 HydrophobicContact CB-CE1 3.93Å
112W69.9Low58.3Low7 Ų788.3 Ų88.33%0.02749%0.493CS..Hα-helixtrans-70.7-49.7176.3176.3-98000111.2S109 T114 F115 E116 A133 A134 Y137 I155S109-W112 WeakPolarHBondContact O-CB 3.43Å; S109-W112 PolarHBondContact O-N 3.42Å; W112-T114 PolarHBondContact O-N 2.78Å; W112-T114 VanDerWaalsContact O-N 3.15Å; W112-F115 HydrophobicContact CE3-CD1 4.15Å; W112-F115 HydrophobicContact CH2-CD1 4.48Å; W112-F115 AromaticContact CZ3-CD1 3.94Å; W112-F115 HydrophobicContact CZ3-CD1 3.94Å; W112-F115 HydrophobicContact CZ3-CE1 4.24Å; W112-F115 WeakPolarHBondContact O-CA 3.2Å; W112-F115 WeakPolarHBondContact O-CB 3.39Å; W112-F115 PolarHBondContact O-N 2.86Å; W112-E116 PolarHBondContact NE1-OE2 3.44Å; W112-E116 PolarHBondContact O-N 3.18Å; W112-A133 HydrophobicContact CH2-CB 3.59Å; W112-A133 HydrophobicContact CZ2-CB 4.14Å; W112-A133 HydrophobicContact CZ3-CB 4.28Å; W112-A134 HydrophobicContact CD2-CB 3.76Å; W112-A134 HydrophobicContact CE3-CB 4.39Å; W112-A134 HydrophobicContact CG-CB 3.79Å; W112-A134 HydrophobicContact CZ2-CB 4.43Å; W112-Y137 HydrophobicContact CB-CD1 4.38Å; W112-Y137 HydrophobicContact CE3-CD1 4.13Å; W112-Y137 AromaticContact CE3-CD2 3.66Å; W112-Y137 HydrophobicContact CE3-CD2 3.66Å; W112-Y137 HydrophobicContact CE3-CE2 4.31Å; W112-Y137 AromaticContact CE3-CG 3.56Å; W112-Y137 HydrophobicContact CE3-CG 3.56Å; W112-Y137 AromaticContact CZ3-CD2 3.82Å; W112-Y137 HydrophobicContact CZ3-CD2 3.82Å; W112-Y137 HydrophobicContact CZ3-CG 4.07Å; W112-I155 HydrophobicContact CH2-CD1 4.06Å; W112-I155 HydrophobicContact CZ3-CD1 3.98Å
113E69Low59.3Low84 Ų8478.8 Ų78.839%0.39345%0.45SS..Hα-helixtrans-54.6-37.1174.8-74.1-167.5-158.400112.2F115 E116 K117E113-F115 VanDerWaalsContact C-N 3.34Å; E113-E116 PolarHBondContact O-N 2.63Å; E113-K117 VanDerWaalsContact O-CB 3.29Å; E113-K117 WeakPolarHBondContact O-CB 3.34Å; E113-K117 VanDerWaalsContact O-CD 3.31Å; E113-K117 WeakPolarHBondContact O-CD 3.43Å; E113-K117 WeakPolarHBondContact O-CG 3.49Å; E113-K117 PolarHBondContact O-N 3.2Å; E113-K117 IonicContact OE2-NZ 2.68Å; E113-K117 PolarHBondContact OE2-NZ 2.93Å
114T73.1Confident60.9Low74 Ų7482 Ų8245%0.45445%0.452SS..Hα-helixtrans-69-32.7179-57.60000111.8I110 W112 R118I110-T114 WeakPolarHBondContact O-CB 3.26Å; I110-T114 PolarHBondContact O-N 3.39Å; I110-T114 VanDerWaalsContact O-N 3.14Å; I110-T114 PolarHBondContact O-OG1 3.41Å; W112-T114 PolarHBondContact O-N 2.78Å; W112-T114 VanDerWaalsContact O-N 3.15Å; T114-R118 WeakPolarHBondContact O-CD 3.34Å; T114-R118 WeakPolarHBondContact O-CG 3.28Å; T114-R118 PolarHBondContact O-N 3.4Å
115F74.1Confident62.6Low1 Ų177.5 Ų77.50%0.00443%0.425CS..Hα-helixtrans-74.8-42172.4176.4-120.6000112A111 W112 E113 K117 R118 L119 Y137 E152 I155 I156A111-F115 PolarHBondContact O-N 2.88Å; W112-F115 HydrophobicContact CE3-CD1 4.15Å; W112-F115 HydrophobicContact CH2-CD1 4.48Å; W112-F115 AromaticContact CZ3-CD1 3.94Å; W112-F115 HydrophobicContact CZ3-CD1 3.94Å; W112-F115 HydrophobicContact CZ3-CE1 4.24Å; W112-F115 WeakPolarHBondContact O-CA 3.2Å; W112-F115 WeakPolarHBondContact O-CB 3.39Å; W112-F115 PolarHBondContact O-N 2.86Å; E113-F115 VanDerWaalsContact C-N 3.34Å; F115-K117 PolarHBondContact O-N 3.07Å; F115-R118 CarbonylContact O-C 3.55Å; F115-R118 WeakPolarHBondContact O-CA 3.36Å; F115-R118 WeakPolarHBondContact O-CB 3.49Å; F115-R118 PolarHBondContact O-N 3.13Å; F115-L119 HydrophobicContact CD1-CD1 3.85Å; F115-L119 HydrophobicContact CD2-CD1 4.44Å; F115-L119 HydrophobicContact CE1-CD1 3.45Å; F115-L119 VanDerWaalsContact CE1-CD1 3.45Å; F115-L119 HydrophobicContact CE2-CD1 4.08Å; F115-L119 HydrophobicContact CE2-CG 4.45Å; F115-L119 HydrophobicContact CG-CD1 4.33Å; F115-L119 HydrophobicContact CZ-CD1 3.57Å; F115-L119 HydrophobicContact CZ-CG 4.26Å; F115-L119 PolarHBondContact O-N 3.38Å; F115-Y137 HydrophobicContact CB-CE2 4.29Å; F115-Y137 HydrophobicContact CD1-CD2 4.49Å; F115-Y137 AromaticContact CD1-CE2 3.98Å; F115-Y137 HydrophobicContact CD1-CE2 3.98Å; F115-Y137 HydrophobicContact CG-CE2 4.15Å; F115-E152 HydrophobicContact CD2-CB 4.29Å; F115-E152 VanDerWaalsContact CD2-CD 3.41Å; F115-E152 HydrophobicContact CD2-CG 3.6Å; F115-E152 WeakPolarHBondContact CD2-OE1 3.31Å; F115-E152 HydrophobicContact CE1-CG 4.38Å; F115-E152 HydrophobicContact CE2-CB 3.55Å; F115-E152 HydrophobicContact CE2-CG 3.37Å; F115-E152 HydrophobicContact CG-CG 4.22Å; F115-E152 HydrophobicContact CZ-CB 3.78Å; F115-E152 HydrophobicContact CZ-CG 3.81Å; F115-I155 HydrophobicContact CE1-CB 4.28Å; F115-I155 HydrophobicContact CE1-CD1 3.86Å; F115-I155 HydrophobicContact CE1-CG2 4.1Å; F115-I155 HydrophobicContact CZ-CB 4.25Å; F115-I155 HydrophobicContact CZ-CG2 4.24Å; F115-I156 HydrophobicContact CE2-CD1 3.98Å; F115-I156 HydrophobicContact CE2-CG1 4.31Å; F115-I156 HydrophobicContact CZ-CD1 4.33Å; F115-I156 HydrophobicContact CZ-CG1 4.2Å
116E71.9Confident64Low59 Ų5975.1 Ų75.128%0.27640%0.396SS..Hα-helixtrans-62.5-41.2176-171.7161.8-143.300111.9W112 E113 R118 L119 G120 A123 H130W112-E116 PolarHBondContact NE1-OE2 3.44Å; W112-E116 PolarHBondContact O-N 3.18Å; E113-E116 PolarHBondContact O-N 2.63Å; E116-R118 PolarHBondContact O-N 3.14Å; E116-L119 WeakPolarHBondContact O-CB 3.42Å; E116-L119 PolarHBondContact O-N 2.95Å; E116-L119 VanDerWaalsContact O-N 3.09Å; E116-G120 PolarHBondContact O-N 3.42Å; E116-A123 HydrophobicContact CG-CB 3.97Å; E116-H130 IonicContact OE1-ND1 3.39Å
117K72.2Confident65.1Low151 Ų15175.9 Ų75.966%0.65739%0.388SS*.Hα-helixtrans-65.5-21.3171.6-71.2161.2-172.7163.90113.3E113 F115E113-K117 VanDerWaalsContact O-CB 3.29Å; E113-K117 WeakPolarHBondContact O-CB 3.34Å; E113-K117 VanDerWaalsContact O-CD 3.31Å; E113-K117 WeakPolarHBondContact O-CD 3.43Å; E113-K117 WeakPolarHBondContact O-CG 3.49Å; E113-K117 PolarHBondContact O-N 3.2Å; E113-K117 IonicContact OE2-NZ 2.68Å; E113-K117 PolarHBondContact OE2-NZ 2.93Å; F115-K117 PolarHBondContact O-N 3.07Å
118R74.2Confident65.7Low148 Ų14871.7 Ų71.756%0.55837%0.365SS*.Hα-helixtrans-83.5-26.5170.3-75.9164.154.9-141.7-7.6113.2T114 F115 E116 E152T114-R118 WeakPolarHBondContact O-CD 3.34Å; T114-R118 WeakPolarHBondContact O-CG 3.28Å; T114-R118 PolarHBondContact O-N 3.4Å; F115-R118 CarbonylContact O-C 3.55Å; F115-R118 WeakPolarHBondContact O-CA 3.36Å; F115-R118 WeakPolarHBondContact O-CB 3.49Å; F115-R118 PolarHBondContact O-N 3.13Å; E116-R118 PolarHBondContact O-N 3.14Å; R118-E152 IonicContact CZ-OE1 2.72Å; R118-E152 IonicContact CZ-OE2 3.96Å; R118-E152 IonicContact NH1-OE1 3.63Å; R118-E152 PolarHBondContact NH1-OE1 2.96Å; R118-E152 IonicContact NH1-OE2 2.78Å; R118-E152 PolarHBondContact NH1-OE2 3.33Å; R118-E152 IonicContact NH2-OE1 3.76Å; R118-E152 IonicContact NH2-OE2 3.07Å; R118-E152 PolarHBondContact NH2-OE2 2.87Å
119L69Low65.9Low19 Ų1975.6 Ų75.610%0.09937%0.37CS..Hα-helixtrans-74.1-33.6171.1-84.6147.1000112.1F115 E116 E121 Q122 A123 I126 I155 I156F115-L119 HydrophobicContact CD1-CD1 3.85Å; F115-L119 HydrophobicContact CD2-CD1 4.44Å; F115-L119 HydrophobicContact CE1-CD1 3.45Å; F115-L119 VanDerWaalsContact CE1-CD1 3.45Å; F115-L119 HydrophobicContact CE2-CD1 4.08Å; F115-L119 HydrophobicContact CE2-CG 4.45Å; F115-L119 HydrophobicContact CG-CD1 4.33Å; F115-L119 HydrophobicContact CZ-CD1 3.57Å; F115-L119 HydrophobicContact CZ-CG 4.26Å; F115-L119 PolarHBondContact O-N 3.38Å; E116-L119 WeakPolarHBondContact O-CB 3.42Å; E116-L119 PolarHBondContact O-N 2.95Å; E116-L119 VanDerWaalsContact O-N 3.09Å; L119-E121 PolarHBondContact O-N 3.07Å; L119-Q122 HydrophobicContact CD2-CB 4.17Å; L119-Q122 WeakPolarHBondContact O-CB 3.24Å; L119-Q122 PolarHBondContact O-N 3.04Å; L119-Q122 VanDerWaalsContact O-N 3.12Å; L119-A123 HydrophobicContact CB-CB 4.23Å; L119-I126 HydrophobicContact CD1-CD1 3.98Å; L119-I155 HydrophobicContact CD1-CG2 4.4Å; L119-I156 HydrophobicContact CD2-CG1 4Å
120G70.6Confident66.1Low42 Ų4276.6 Ų76.643%0.43337%0.371SS..G310 helixtrans59.5-128.7175.300000112E116 Q122 A123E116-G120 PolarHBondContact O-N 3.42Å; G120-Q122 PolarHBondContact O-N 3.43Å; G120-Q122 VanDerWaalsContact O-N 3.09Å; G120-A123 WeakPolarHBondContact O-CB 3.45Å; G120-A123 PolarHBondContact O-N 3.28Å
121E63.8Low66.1Low148 Ų14877.7 Ų77.769%0.69237%0.373SS*.G310 helixtrans-60.8-20.5179.4-60.9-165.9132.500114.1L119 A123L119-E121 PolarHBondContact O-N 3.07Å; E121-A123 VanDerWaalsContact C-N 3.27Å; E121-A123 PolarHBondContact O-N 3.1Å
122Q63.3Low66.3Low50 Ų5081.3 Ų81.323%0.23438%0.383CS..G310 helixtrans-69.8-24.8176.3-58.4-55.1-68.400112.3L119 G120 K124 F125 T159L119-Q122 HydrophobicContact CD2-CB 4.17Å; L119-Q122 WeakPolarHBondContact O-CB 3.24Å; L119-Q122 PolarHBondContact O-N 3.04Å; L119-Q122 VanDerWaalsContact O-N 3.12Å; G120-Q122 PolarHBondContact O-N 3.43Å; G120-Q122 VanDerWaalsContact O-N 3.09Å; Q122-K124 PolarHBondContact O-N 3.48Å; Q122-F125 PolarHBondContact O-N 2.95Å; Q122-T159 HydrophobicContact CB-CG2 3.78Å; Q122-T159 WeakPolarHBondContact O-CG2 3.23Å
123A63Low66.3Low12 Ų1282 Ų8210%0.09939%0.391CS..G310 helixtrans-58-24.8179.500000113.3E116 L119 G120 E121 F125 I126E116-A123 HydrophobicContact CG-CB 3.97Å; L119-A123 HydrophobicContact CB-CB 4.23Å; G120-A123 WeakPolarHBondContact O-CB 3.45Å; G120-A123 PolarHBondContact O-N 3.28Å; E121-A123 VanDerWaalsContact C-N 3.27Å; E121-A123 PolarHBondContact O-N 3.1Å; A123-F125 PolarHBondContact O-N 3.02Å; A123-I126 HydrophobicContact CB-CD1 4.39Å; A123-I126 WeakPolarHBondContact O-CB 3.32Å; A123-I126 PolarHBondContact O-N 2.69Å; A123-I126 VanDerWaalsContact O-N 3.16Å
124K66.3Low66.4Low167 Ų16778.4 Ų78.473%0.72638%0.376SS*.G310 helixtrans-64.2-17.9175.3-62178.7179.91750114.5Q122Q122-K124 PolarHBondContact O-N 3.48Å
125F66.6Low66.3Low65 Ų6578.5 Ų78.529%0.28538%0.376SS..G310 helixtrans-101.29.3178-54.8-76000112.7Q122 A123 T159 I162 K163Q122-F125 PolarHBondContact O-N 2.95Å; A123-F125 PolarHBondContact O-N 3.02Å; F125-T159 HydrophobicContact CB-CG2 3.93Å; F125-I162 HydrophobicContact CB-CG2 4.07Å; F125-K163 HydrophobicContact CD2-CB 4.27Å; F125-K163 HydrophobicContact CE2-CB 4.41Å; F125-K163 HydrophobicContact CE2-CD 4.07Å; F125-K163 HydrophobicContact CE2-CG 4.25Å; F125-K163 HydrophobicContact CG-CB 4.43Å; F125-K163 HydrophobicContact CZ-CD 4.5Å; F125-K163 HydrophobicContact CZ-CG 4.34Å
126I67.3Low66.2Low17 Ų1782.5 Ų82.59%0.08740%0.397CS..SBendtrans-78.9131.6170.1-62.8176.1000107.9L119 A123 I155 T159L119-I126 HydrophobicContact CD1-CD1 3.98Å; A123-I126 HydrophobicContact CB-CD1 4.39Å; A123-I126 WeakPolarHBondContact O-CB 3.32Å; A123-I126 PolarHBondContact O-N 2.69Å; A123-I126 VanDerWaalsContact O-N 3.16Å; I126-I155 HydrophobicContact CD1-CG2 4.25Å; I126-T159 HydrophobicContact CG1-CG2 4.44Å
127P59.7Low66.4Low88 Ų8880.2 Ų80.257%0.57139%0.386SS*.  trans-59.1146177.7-26.535.6000112.6R129 I162P127-R129 PolarHBondContact O-N 3.42Å; P127-I162 HydrophobicContact CG-CD1 4.32Å
128R56.3Low66.6Low82 Ų8275.5 Ų75.531%0.30937%0.367SS..SBendtrans-53.6-8.5-169.1-68.5178.7153.4153.5-16.3117.2I90 H91 F93 H94 H130I90-R128 PolarHBondContact O-NH1 2.96Å; H91-R128 VanDerWaalsContact O-CZ 3.31Å; H91-R128 PolarHBondContact O-NH1 3.19Å; H91-R128 VanDerWaalsContact O-NH1 3.09Å; H91-R128 PolarHBondContact O-NH2 3.4Å; F93-R128 VanDerWaalsContact O-CD 3.27Å; F93-R128 WeakPolarHBondContact O-CD 3.32Å; H94-R128 PolarHBondContact CD2-NE 3.33Å; H94-R128 PolarHBondContact CD2-NH2 3.07Å; H94-R128 VanDerWaalsContact CD2-NH2 3.34Å; H94-R128 PolarHBondContact NE2-NE 3.05Å; R128-H130 PolarHBondContact O-N 2.7Å; R128-H130 VanDerWaalsContact O-N 3.08Å
129R54.5Low66.6Low170 Ų17072.9 Ų72.964%0.64236%0.363SS*.  trans-82.649.2171.3-47.9-169.7-161.5167.82.6111.8P127 E131 Q132 A133P127-R129 PolarHBondContact O-N 3.42Å; R129-E131 PolarHBondContact O-N 2.85Å; R129-E131 VanDerWaalsContact O-N 3.16Å; R129-Q132 HydrophobicContact CB-CB 4.08Å; R129-Q132 HydrophobicContact CB-CG 4.13Å; R129-Q132 VanDerWaalsContact NH1-OE1 3.13Å; R129-Q132 PolarHBondContact O-N 2.98Å; R129-A133 PolarHBondContact O-N 2.96Å
130H60.9Low66.9Low53 Ų5373.3 Ų73.325%0.24537%0.366CS..Hα-helixtrans-53.8-36.5177.4-68.2-109.2000110.7E116 R128 Q132 A133 A134E116-H130 IonicContact OE1-ND1 3.39Å; R128-H130 PolarHBondContact O-N 2.7Å; R128-H130 VanDerWaalsContact O-N 3.08Å; H130-Q132 PolarHBondContact O-N 3.3Å; H130-A133 PolarHBondContact O-N 2.96Å; H130-A134 WeakPolarHBondContact O-CB 3.49Å; H130-A134 PolarHBondContact O-N 3.06Å
131E61.1Low66.9Low156 Ų15672.9 Ų72.973%0.72936%0.356SS*.Hα-helixtrans-57.3-42.1173.3-59.2-179.1155.700113.8R129 A134 T135R129-E131 PolarHBondContact O-N 2.85Å; R129-E131 VanDerWaalsContact O-N 3.16Å; E131-A134 PolarHBondContact O-N 3.41Å; E131-T135 VanDerWaalsContact O-CB 3.29Å; E131-T135 WeakPolarHBondContact O-CB 3.44Å; E131-T135 VanDerWaalsContact O-CG2 3.26Å; E131-T135 WeakPolarHBondContact O-CG2 3.36Å; E131-T135 PolarHBondContact O-N 3.23Å; E131-T135 PolarHBondContact O-OG1 3.26Å
132Q66.6Low67.4Low114 Ų11472.2 Ų72.253%0.53336%0.357SS..Hα-helixtrans-70.4-36.8179.8-67.7-173.6-7.800111.3R129 H130 T135 L136R129-Q132 HydrophobicContact CB-CB 4.08Å; R129-Q132 HydrophobicContact CB-CG 4.13Å; R129-Q132 VanDerWaalsContact NH1-OE1 3.13Å; R129-Q132 PolarHBondContact O-N 2.98Å; H130-Q132 PolarHBondContact O-N 3.3Å; Q132-T135 PolarHBondContact O-OG1 3.23Å; Q132-L136 VanDerWaalsContact O-CB 3.31Å; Q132-L136 WeakPolarHBondContact O-CB 3.46Å; Q132-L136 PolarHBondContact O-N 2.81Å; Q132-L136 VanDerWaalsContact O-N 3.14Å
133A68.9Low67.9Low23 Ų2375.1 Ų75.119%0.1938%0.378CS..Hα-helixtrans-70.5-42.817400000112W112 R129 H130 L136 Y137W112-A133 HydrophobicContact CH2-CB 3.59Å; W112-A133 HydrophobicContact CZ2-CB 4.14Å; W112-A133 HydrophobicContact CZ3-CB 4.28Å; R129-A133 PolarHBondContact O-N 2.96Å; H130-A133 PolarHBondContact O-N 2.96Å; A133-L136 PolarHBondContact O-N 2.88Å; A133-Y137 VanDerWaalsContact O-CB 3.31Å; A133-Y137 WeakPolarHBondContact O-CB 3.37Å; A133-Y137 PolarHBondContact O-N 3.14Å
134A70.1Confident68.5Low8 Ų880.1 Ų80.17%0.06640%0.399CS..Hα-helixtrans-68-43.8179.300000112.4W112 H130 E131 Y137 Q138W112-A134 HydrophobicContact CD2-CB 3.76Å; W112-A134 HydrophobicContact CE3-CB 4.39Å; W112-A134 HydrophobicContact CG-CB 3.79Å; W112-A134 HydrophobicContact CZ2-CB 4.43Å; H130-A134 WeakPolarHBondContact O-CB 3.49Å; H130-A134 PolarHBondContact O-N 3.06Å; E131-A134 PolarHBondContact O-N 3.41Å; A134-Y137 WeakPolarHBondContact O-CB 3.28Å; A134-Y137 PolarHBondContact O-N 3.23Å; A134-Q138 VanDerWaalsContact O-CB 3.25Å; A134-Q138 WeakPolarHBondContact O-CB 3.34Å; A134-Q138 PolarHBondContact O-N 2.9Å
135T72.1Confident68.8Low76 Ų7676 Ų7647%0.46639%0.389SS..Hα-helixtrans-66-38.417551.80000111.7E131 Q132 Q138 N139E131-T135 VanDerWaalsContact O-CB 3.29Å; E131-T135 WeakPolarHBondContact O-CB 3.44Å; E131-T135 VanDerWaalsContact O-CG2 3.26Å; E131-T135 WeakPolarHBondContact O-CG2 3.36Å; E131-T135 PolarHBondContact O-N 3.23Å; E131-T135 PolarHBondContact O-OG1 3.26Å; Q132-T135 PolarHBondContact O-OG1 3.23Å; T135-Q138 PolarHBondContact O-N 3.34Å; T135-N139 VanDerWaalsContact O-CB 3.31Å; T135-N139 WeakPolarHBondContact O-CB 3.41Å; T135-N139 PolarHBondContact O-N 3.11Å; T135-N139 PolarHBondContact O-ND2 2.87Å
136L72.6Confident69.3Low85 Ų8583.7 Ų83.745%0.44542%0.416SS..Hα-helixtrans-65-43.7172.9-162.477.5000111.5Q132 A133 Q138 N139 I140 F151Q132-L136 VanDerWaalsContact O-CB 3.31Å; Q132-L136 WeakPolarHBondContact O-CB 3.46Å; Q132-L136 PolarHBondContact O-N 2.81Å; Q132-L136 VanDerWaalsContact O-N 3.14Å; A133-L136 PolarHBondContact O-N 2.88Å; L136-Q138 VanDerWaalsContact C-N 3.33Å; L136-Q138 PolarHBondContact O-N 3.41Å; L136-N139 PolarHBondContact O-N 3.44Å; L136-I140 HydrophobicContact CD2-CD1 4.19Å; L136-I140 HydrophobicContact CG-CD1 3.91Å; L136-I140 HydrophobicContact CG-CG1 4.5Å; L136-I140 WeakPolarHBondContact O-CB 3.45Å; L136-I140 VanDerWaalsContact O-CG1 3.23Å; L136-I140 WeakPolarHBondContact O-CG1 3.41Å; L136-I140 PolarHBondContact O-N 2.88Å; L136-F151 HydrophobicContact CB-CZ 4.33Å; L136-F151 HydrophobicContact CD2-CE1 4.43Å; L136-F151 HydrophobicContact CD2-CE2 3.76Å; L136-F151 HydrophobicContact CD2-CZ 3.71Å; L136-F151 HydrophobicContact CG-CZ 4.44Å
137Y76.3Confident69.8Low11 Ų1186.1 Ų86.14%0.04343%0.429CS..Hα-helixtrans-58.7-44174.7-168.4-82.9000111.7A111 W112 F115 A133 A134 I140 S141 I148 F151 E152A111-Y137 HydrophobicContact CB-CE1 3.93Å; W112-Y137 HydrophobicContact CB-CD1 4.38Å; W112-Y137 HydrophobicContact CE3-CD1 4.13Å; W112-Y137 AromaticContact CE3-CD2 3.66Å; W112-Y137 HydrophobicContact CE3-CD2 3.66Å; W112-Y137 HydrophobicContact CE3-CE2 4.31Å; W112-Y137 AromaticContact CE3-CG 3.56Å; W112-Y137 HydrophobicContact CE3-CG 3.56Å; W112-Y137 AromaticContact CZ3-CD2 3.82Å; W112-Y137 HydrophobicContact CZ3-CD2 3.82Å; W112-Y137 HydrophobicContact CZ3-CG 4.07Å; F115-Y137 HydrophobicContact CB-CE2 4.29Å; F115-Y137 HydrophobicContact CD1-CD2 4.49Å; F115-Y137 AromaticContact CD1-CE2 3.98Å; F115-Y137 HydrophobicContact CD1-CE2 3.98Å; F115-Y137 HydrophobicContact CG-CE2 4.15Å; A133-Y137 VanDerWaalsContact O-CB 3.31Å; A133-Y137 WeakPolarHBondContact O-CB 3.37Å; A133-Y137 PolarHBondContact O-N 3.14Å; A134-Y137 WeakPolarHBondContact O-CB 3.28Å; A134-Y137 PolarHBondContact O-N 3.23Å; Y137-I140 PolarHBondContact O-N 3.34Å; Y137-S141 WeakPolarHBondContact O-CB 3.35Å; Y137-S141 PolarHBondContact O-N 3.3Å; Y137-S141 PolarHBondContact O-OG 3.14Å; Y137-I148 HydrophobicContact CD2-CG2 4.47Å; Y137-I148 HydrophobicContact CE1-CG2 4.37Å; Y137-I148 HydrophobicContact CE2-CG2 3.68Å; Y137-F151 AromaticContact CD2-CD1 3.86Å; Y137-F151 HydrophobicContact CD2-CD1 3.86Å; Y137-F151 HydrophobicContact CD2-CE1 4.12Å; Y137-E152 HydrophobicContact CE2-CG 4.06Å; Y137-E152 PolarHBondContact OH-OE1 2.87Å
138Q74.9Confident70.8Confident52 Ų5283.4 Ų83.424%0.24341%0.409CS..Hα-helixtrans-64.9-47.5178.1-172.9151.8-21.300111.1Q107 S109 A134 T135 L136 I140 S141 L142Q107-Q138 PolarHBondContact O-NE2 2.94Å; Q107-Q138 PolarHBondContact O-OE1 3.29Å; S109-Q138 VanDerWaalsContact CB-OE1 3.3Å; A134-Q138 VanDerWaalsContact O-CB 3.25Å; A134-Q138 WeakPolarHBondContact O-CB 3.34Å; A134-Q138 PolarHBondContact O-N 2.9Å; T135-Q138 PolarHBondContact O-N 3.34Å; L136-Q138 VanDerWaalsContact C-N 3.33Å; L136-Q138 PolarHBondContact O-N 3.41Å; Q138-I140 PolarHBondContact O-N 3.21Å; Q138-S141 PolarHBondContact O-N 3.14Å; Q138-S141 VanDerWaalsContact O-N 3.16Å; Q138-S141 PolarHBondContact O-OG 3.44Å; Q138-L142 HydrophobicContact CG-CD1 4.4Å; Q138-L142 WeakPolarHBondContact O-CG 3.24Å; Q138-L142 PolarHBondContact O-N 2.94Å
139N74.3Confident72Confident92 Ų9283.5 Ų83.549%0.49242%0.421SS..Hα-helixtrans-61.3-42.8175.6-72.2-25.7000112.6T135 L136 S141 L142 T143T135-N139 VanDerWaalsContact O-CB 3.31Å; T135-N139 WeakPolarHBondContact O-CB 3.41Å; T135-N139 PolarHBondContact O-N 3.11Å; T135-N139 PolarHBondContact O-ND2 2.87Å; L136-N139 PolarHBondContact O-N 3.44Å; N139-S141 VanDerWaalsContact C-N 3.33Å; N139-L142 PolarHBondContact O-N 3.35Å; N139-T143 WeakPolarHBondContact O-CG2 3.49Å; N139-T143 PolarHBondContact O-N 2.88Å; N139-T143 PolarHBondContact O-OG1 3.33Å
140I76.6Confident73.2Confident29 Ų2981.6 Ų81.615%0.14942%0.419CS..Hα-helixtrans-63.6-39.6174.4-69.6166.5000110.6L136 Y137 Q138 L142 T143 E144 L147 I148 F151L136-I140 HydrophobicContact CD2-CD1 4.19Å; L136-I140 HydrophobicContact CG-CD1 3.91Å; L136-I140 HydrophobicContact CG-CG1 4.5Å; L136-I140 WeakPolarHBondContact O-CB 3.45Å; L136-I140 VanDerWaalsContact O-CG1 3.23Å; L136-I140 WeakPolarHBondContact O-CG1 3.41Å; L136-I140 PolarHBondContact O-N 2.88Å; Y137-I140 PolarHBondContact O-N 3.34Å; Q138-I140 PolarHBondContact O-N 3.21Å; I140-L142 VanDerWaalsContact C-N 3.27Å; I140-L142 PolarHBondContact O-N 3.15Å; I140-T143 PolarHBondContact O-N 3.01Å; I140-E144 CarbonylContact O-C 3.55Å; I140-E144 PolarHBondContact O-N 2.99Å; I140-L147 HydrophobicContact CG2-CB 3.91Å; I140-I148 HydrophobicContact CG2-CG1 3.97Å; I140-F151 HydrophobicContact CD1-CB 4.48Å; I140-F151 HydrophobicContact CD1-CD1 4.2Å; I140-F151 HydrophobicContact CD1-CG 4.19Å
141S69.9Low74.2Confident33 Ų3380.9 Ų80.923%0.23142%0.416CS..Hα-helixtrans-67.7-26.3178.273.60000114.2Y137 Q138 N139Y137-S141 WeakPolarHBondContact O-CB 3.35Å; Y137-S141 PolarHBondContact O-N 3.3Å; Y137-S141 PolarHBondContact O-OG 3.14Å; Q138-S141 PolarHBondContact O-N 3.14Å; Q138-S141 VanDerWaalsContact O-N 3.16Å; Q138-S141 PolarHBondContact O-OG 3.44Å; N139-S141 VanDerWaalsContact C-N 3.33Å
142L72.9Confident75.2Confident134 Ų13474.8 Ų74.870%0.70239%0.387SS*.Hα-helixtrans-86.3-30176.7-68.2169.7000113.2Q138 N139 I140Q138-L142 HydrophobicContact CG-CD1 4.4Å; Q138-L142 WeakPolarHBondContact O-CG 3.24Å; Q138-L142 PolarHBondContact O-N 2.94Å; N139-L142 PolarHBondContact O-N 3.35Å; I140-L142 VanDerWaalsContact C-N 3.27Å; I140-L142 PolarHBondContact O-N 3.15Å
143T74.1Confident76Confident111 Ų11175.9 Ų75.968%0.68139%0.39SS*.Hα-helixtrans-97.2-54.2-177.454.80000113.3N139 I140N139-T143 WeakPolarHBondContact O-CG2 3.49Å; N139-T143 PolarHBondContact O-N 2.88Å; N139-T143 PolarHBondContact O-OG1 3.33Å; I140-T143 PolarHBondContact O-N 3.01Å
144E76Confident76.8Confident116 Ų11678.1 Ų78.154%0.54240%0.401SS..  trans-141.282-178.6-70.7-152.814800112.1I140 R146 L147I140-E144 CarbonylContact O-C 3.55Å; I140-E144 PolarHBondContact O-N 2.99Å; E144-R146 PolarHBondContact O-N 2.87Å; E144-L147 HydrophobicContact CB-CD1 4.18Å; E144-L147 HydrophobicContact CB-CG 4.36Å; E144-L147 PolarHBondContact O-N 3.48Å; E144-L147 WeakPolarHBondContact OE2-CD1 3.3Å
145P73.8Confident77.3Confident80 Ų8078.6 Ų78.652%0.51940%0.402SS..THydrogen-bonded Turntrans-62.5-8-177.523.7-34.5000114.8L147 I148P145-L147 VanDerWaalsContact C-N 3.31Å; P145-I148 HydrophobicContact CB-CD1 3.97Å
146R75.9Confident77.8Confident228 Ų22877.4 Ų77.486%0.8639%0.393SS*.THydrogen-bonded Turntrans-71.4-21.2172.7-67.3-178.9177176.10113.6E144 P149E144-R146 PolarHBondContact O-N 2.87Å; R146-P149 WeakPolarHBondContact O-CD 3.32Å
147L78.4Confident78.4Confident68 Ų6877.4 Ų77.436%0.35639%0.393SS..SBendtrans-87.7-17.4-179.5-65.4177.3000113.4I140 E144 P145 P149 Q150 F151I140-L147 HydrophobicContact CG2-CB 3.91Å; E144-L147 HydrophobicContact CB-CD1 4.18Å; E144-L147 HydrophobicContact CB-CG 4.36Å; E144-L147 PolarHBondContact O-N 3.48Å; E144-L147 WeakPolarHBondContact OE2-CD1 3.3Å; P145-L147 VanDerWaalsContact C-N 3.31Å; L147-P149 VanDerWaalsContact C-CD 3.49Å; L147-Q150 WeakPolarHBondContact O-CB 3.47Å; L147-Q150 PolarHBondContact O-N 3.03Å; L147-F151 PolarHBondContact O-N 2.9Å; L147-F151 VanDerWaalsContact O-N 3.09Å
148I80Confident78.7Confident30 Ų3082.6 Ų82.615%0.15442%0.416CS..Hα-helixtrans-49.5-48.2179.8-55.2170.1000112.4Y137 I140 P145 Q150 F151 E152Y137-I148 HydrophobicContact CD2-CG2 4.47Å; Y137-I148 HydrophobicContact CE1-CG2 4.37Å; Y137-I148 HydrophobicContact CE2-CG2 3.68Å; I140-I148 HydrophobicContact CG2-CG1 3.97Å; P145-I148 HydrophobicContact CB-CD1 3.97Å; I148-Q150 PolarHBondContact O-N 2.93Å; I148-F151 PolarHBondContact O-N 3.08Å; I148-F151 VanDerWaalsContact O-N 3.11Å; I148-E152 HydrophobicContact CG2-CG 4.18Å; I148-E152 WeakPolarHBondContact O-CG 3.44Å; I148-E152 PolarHBondContact O-N 3.33Å
149P81.3Confident79Confident85 Ų8580.3 Ų80.355%0.55241%0.406SS*.Hα-helixtrans-67.9-22.1-177.5-19.534.3000113.9R146 L147 K153R146-P149 WeakPolarHBondContact O-CD 3.32Å; L147-P149 VanDerWaalsContact C-CD 3.49Å; P149-K153 WeakPolarHBondContact O-CB 3.37Å; P149-K153 PolarHBondContact O-N 2.95Å
150Q81.1Confident79.4Confident129 Ų12981.8 Ų81.860%0.60341%0.408SS*.Hα-helixtrans-77.3-42.5172.8-58.1-169.510.200110.3L147 I148 K153 V154L147-Q150 WeakPolarHBondContact O-CB 3.47Å; L147-Q150 PolarHBondContact O-N 3.03Å; I148-Q150 PolarHBondContact O-N 2.93Å; Q150-K153 PolarHBondContact O-N 2.86Å; Q150-V154 WeakPolarHBondContact O-CG2 3.22Å; Q150-V154 PolarHBondContact O-N 3.07Å
151F80.3Confident79.9Confident39 Ų3985.3 Ų85.317%0.17142%0.424CS..Hα-helixtrans-65.9-42.8176.6-171.9-124.7000112.5L136 Y137 I140 L147 I148 K153 V154 I155L136-F151 HydrophobicContact CB-CZ 4.33Å; L136-F151 HydrophobicContact CD2-CE1 4.43Å; L136-F151 HydrophobicContact CD2-CE2 3.76Å; L136-F151 HydrophobicContact CD2-CZ 3.71Å; L136-F151 HydrophobicContact CG-CZ 4.44Å; Y137-F151 AromaticContact CD2-CD1 3.86Å; Y137-F151 HydrophobicContact CD2-CD1 3.86Å; Y137-F151 HydrophobicContact CD2-CE1 4.12Å; I140-F151 HydrophobicContact CD1-CB 4.48Å; I140-F151 HydrophobicContact CD1-CD1 4.2Å; I140-F151 HydrophobicContact CD1-CG 4.19Å; L147-F151 PolarHBondContact O-N 2.9Å; L147-F151 VanDerWaalsContact O-N 3.09Å; I148-F151 PolarHBondContact O-N 3.08Å; I148-F151 VanDerWaalsContact O-N 3.11Å; F151-K153 VanDerWaalsContact C-N 3.29Å; F151-K153 PolarHBondContact O-N 3.19Å; F151-V154 PolarHBondContact O-N 3.25Å; F151-I155 HydrophobicContact CD1-CD1 4.06Å; F151-I155 HydrophobicContact CE1-CD1 3.66Å; F151-I155 HydrophobicContact CE2-CD1 4.24Å; F151-I155 HydrophobicContact CE2-CG1 4.37Å; F151-I155 HydrophobicContact CZ-CD1 3.75Å; F151-I155 HydrophobicContact CZ-CG1 4.32Å; F151-I155 PolarHBondContact O-N 3.36Å
152E83.2Confident80.5Confident27 Ų2786 Ų8613%0.12642%0.424CS..Hα-helixtrans-53.5-46.4170.5-74.7-163.3177.600111.6F115 R118 Y137 I148 I155 I156F115-E152 HydrophobicContact CD2-CB 4.29Å; F115-E152 VanDerWaalsContact CD2-CD 3.41Å; F115-E152 HydrophobicContact CD2-CG 3.6Å; F115-E152 WeakPolarHBondContact CD2-OE1 3.31Å; F115-E152 HydrophobicContact CE1-CG 4.38Å; F115-E152 HydrophobicContact CE2-CB 3.55Å; F115-E152 HydrophobicContact CE2-CG 3.37Å; F115-E152 HydrophobicContact CG-CG 4.22Å; F115-E152 HydrophobicContact CZ-CB 3.78Å; F115-E152 HydrophobicContact CZ-CG 3.81Å; R118-E152 IonicContact CZ-OE1 2.72Å; R118-E152 IonicContact CZ-OE2 3.96Å; R118-E152 IonicContact NH1-OE1 3.63Å; R118-E152 PolarHBondContact NH1-OE1 2.96Å; R118-E152 IonicContact NH1-OE2 2.78Å; R118-E152 PolarHBondContact NH1-OE2 3.33Å; R118-E152 IonicContact NH2-OE1 3.76Å; R118-E152 IonicContact NH2-OE2 3.07Å; R118-E152 PolarHBondContact NH2-OE2 2.87Å; Y137-E152 HydrophobicContact CE2-CG 4.06Å; Y137-E152 PolarHBondContact OH-OE1 2.87Å; I148-E152 HydrophobicContact CG2-CG 4.18Å; I148-E152 WeakPolarHBondContact O-CG 3.44Å; I148-E152 PolarHBondContact O-N 3.33Å; E152-I155 PolarHBondContact O-N 3.26Å; E152-I156 WeakPolarHBondContact O-CB 3.42Å; E152-I156 WeakPolarHBondContact O-CD1 3.41Å; E152-I156 VanDerWaalsContact O-CG1 3.27Å; E152-I156 WeakPolarHBondContact O-CG1 3.41Å; E152-I156 PolarHBondContact O-N 3.22Å
153K83.4Confident81Confident138 Ų13884.3 Ų84.360%0.641%0.411SS*.Hα-helixtrans-66.2-37.3-179.3-176.2-179.8177.3-174.70112.3P149 Q150 F151 N157P149-K153 WeakPolarHBondContact O-CB 3.37Å; P149-K153 PolarHBondContact O-N 2.95Å; Q150-K153 PolarHBondContact O-N 2.86Å; F151-K153 VanDerWaalsContact C-N 3.29Å; F151-K153 PolarHBondContact O-N 3.19Å; K153-N157 WeakPolarHBondContact O-CB 3.49Å; K153-N157 VanDerWaalsContact O-CG 3.32Å; K153-N157 PolarHBondContact O-N 2.69Å
154V85.1Confident81.7Confident69 Ų6984 Ų8442%0.41840%0.402SS..Hα-helixtrans-64.7-47.5175.11680000110.6Q150 F151 N157 F158Q150-V154 WeakPolarHBondContact O-CG2 3.22Å; Q150-V154 PolarHBondContact O-N 3.07Å; F151-V154 PolarHBondContact O-N 3.25Å; V154-N157 PolarHBondContact O-N 2.98Å; V154-F158 HydrophobicContact CG1-CD2 3.68Å; V154-F158 HydrophobicContact CG1-CE2 3.49Å; V154-F158 VanDerWaalsContact CG1-CE2 3.49Å; V154-F158 WeakPolarHBondContact O-CD2 3.28Å; V154-F158 PolarHBondContact O-N 3.13Å
155I81.8Confident82.1Confident19 Ų1983.6 Ų83.610%0.09740%0.4CS..Hα-helixtrans-58.3-53.2174.9-66.8169.9000110.3W112 F115 L119 I126 F151 E152 N157 F158 T159W112-I155 HydrophobicContact CH2-CD1 4.06Å; W112-I155 HydrophobicContact CZ3-CD1 3.98Å; F115-I155 HydrophobicContact CE1-CB 4.28Å; F115-I155 HydrophobicContact CE1-CD1 3.86Å; F115-I155 HydrophobicContact CE1-CG2 4.1Å; F115-I155 HydrophobicContact CZ-CB 4.25Å; F115-I155 HydrophobicContact CZ-CG2 4.24Å; L119-I155 HydrophobicContact CD1-CG2 4.4Å; I126-I155 HydrophobicContact CD1-CG2 4.25Å; F151-I155 HydrophobicContact CD1-CD1 4.06Å; F151-I155 HydrophobicContact CE1-CD1 3.66Å; F151-I155 HydrophobicContact CE2-CD1 4.24Å; F151-I155 HydrophobicContact CE2-CG1 4.37Å; F151-I155 HydrophobicContact CZ-CD1 3.75Å; F151-I155 HydrophobicContact CZ-CG1 4.32Å; F151-I155 PolarHBondContact O-N 3.36Å; E152-I155 PolarHBondContact O-N 3.26Å; I155-N157 PolarHBondContact O-N 3.17Å; I155-N157 VanDerWaalsContact O-N 3.13Å; I155-F158 PolarHBondContact O-N 3.44Å; I155-F158 VanDerWaalsContact O-N 3.13Å; I155-T159 PolarHBondContact O-N 3.27Å; I155-T159 PolarHBondContact O-OG1 3.18Å
156I82.3Confident82.6Confident51 Ų5182.8 Ų82.826%0.26239%0.391SS..Hα-helixtrans-56.6-32.7-179.5-73165.5000112.5F115 L119 E152 K160F115-I156 HydrophobicContact CE2-CD1 3.98Å; F115-I156 HydrophobicContact CE2-CG1 4.31Å; F115-I156 HydrophobicContact CZ-CD1 4.33Å; F115-I156 HydrophobicContact CZ-CG1 4.2Å; L119-I156 HydrophobicContact CD2-CG1 4Å; E152-I156 WeakPolarHBondContact O-CB 3.42Å; E152-I156 WeakPolarHBondContact O-CD1 3.41Å; E152-I156 VanDerWaalsContact O-CG1 3.27Å; E152-I156 WeakPolarHBondContact O-CG1 3.41Å; E152-I156 PolarHBondContact O-N 3.22Å; I156-K160 HydrophobicContact CG2-CD 4.42Å; I156-K160 WeakPolarHBondContact O-CD 3.45Å; I156-K160 VanDerWaalsContact O-CG 3.26Å; I156-K160 WeakPolarHBondContact O-CG 3.38Å; I156-K160 PolarHBondContact O-N 2.77Å
157N84.2Confident83.2Confident85 Ų8573.7 Ų73.746%0.45536%0.363SS..Hα-helixtrans-73-51.4175.5-78.31.7000111.7K153 V154 I155 T159 K160 E161K153-N157 WeakPolarHBondContact O-CB 3.49Å; K153-N157 VanDerWaalsContact O-CG 3.32Å; K153-N157 PolarHBondContact O-N 2.69Å; V154-N157 PolarHBondContact O-N 2.98Å; I155-N157 PolarHBondContact O-N 3.17Å; I155-N157 VanDerWaalsContact O-N 3.13Å; N157-T159 VanDerWaalsContact C-N 3.3Å; N157-T159 PolarHBondContact O-N 3Å; N157-K160 WeakPolarHBondContact O-CB 3.3Å; N157-K160 PolarHBondContact O-N 3.17Å; N157-K160 VanDerWaalsContact O-N 3.1Å; N157-E161 PolarHBondContact O-N 2.95Å
158F83.6Confident83.7Confident119 Ų11974.9 Ų74.952%0.52237%0.366SS..Hα-helixtrans-58.2-40.9176.9-78-55.1000112.4V154 I155 K160 E161 I162V154-F158 HydrophobicContact CG1-CD2 3.68Å; V154-F158 HydrophobicContact CG1-CE2 3.49Å; V154-F158 VanDerWaalsContact CG1-CE2 3.49Å; V154-F158 WeakPolarHBondContact O-CD2 3.28Å; V154-F158 PolarHBondContact O-N 3.13Å; I155-F158 PolarHBondContact O-N 3.44Å; I155-F158 VanDerWaalsContact O-N 3.13Å; F158-K160 VanDerWaalsContact C-N 3.28Å; F158-K160 PolarHBondContact O-N 3.28Å; F158-E161 PolarHBondContact O-N 3.37Å; F158-I162 WeakPolarHBondContact O-CB 3.32Å; F158-I162 VanDerWaalsContact O-CG1 3.29Å; F158-I162 WeakPolarHBondContact O-CG1 3.34Å; F158-I162 PolarHBondContact O-N 3.46Å
159T81Confident83.9Confident4 Ų479 Ų793%0.02539%0.386CS..Hα-helixtrans-62.7-34.4177.8-50.40000112.4Q122 F125 I126 I155 N157 K163Q122-T159 HydrophobicContact CB-CG2 3.78Å; Q122-T159 WeakPolarHBondContact O-CG2 3.23Å; F125-T159 HydrophobicContact CB-CG2 3.93Å; I126-T159 HydrophobicContact CG1-CG2 4.44Å; I155-T159 PolarHBondContact O-N 3.27Å; I155-T159 PolarHBondContact O-OG1 3.18Å; N157-T159 VanDerWaalsContact C-N 3.3Å; N157-T159 PolarHBondContact O-N 3Å; T159-K163 WeakPolarHBondContact O-CB 3.43Å; T159-K163 PolarHBondContact O-N 2.99Å; T159-K163 VanDerWaalsContact O-N 3.13Å
160K83.3Confident84.2Confident123 Ų12381 Ų8154%0.53539%0.389SS..Hα-helixtrans-71.9-39.9173.2-72.1167-175.5172.20112.2I156 N157 F158 K163 Q164I156-K160 HydrophobicContact CG2-CD 4.42Å; I156-K160 WeakPolarHBondContact O-CD 3.45Å; I156-K160 VanDerWaalsContact O-CG 3.26Å; I156-K160 WeakPolarHBondContact O-CG 3.38Å; I156-K160 PolarHBondContact O-N 2.77Å; N157-K160 WeakPolarHBondContact O-CB 3.3Å; N157-K160 PolarHBondContact O-N 3.17Å; N157-K160 VanDerWaalsContact O-N 3.1Å; F158-K160 VanDerWaalsContact C-N 3.28Å; F158-K160 PolarHBondContact O-N 3.28Å; K160-K163 PolarHBondContact O-N 3.36Å; K160-Q164 WeakPolarHBondContact O-CB 3.38Å; K160-Q164 PolarHBondContact O-N 3.48Å
161E86Confident84.7Confident104 Ų10479.8 Ų79.849%0.48639%0.386SS..Hα-helixtrans-65.6-45.3179.2-170.1166.3-158.900111.2N157 F158 K163 Q164 Q165N157-E161 PolarHBondContact O-N 2.95Å; F158-E161 PolarHBondContact O-N 3.37Å; E161-K163 PolarHBondContact O-N 2.9Å; E161-Q164 WeakPolarHBondContact O-CB 3.49Å; E161-Q164 PolarHBondContact O-N 3.31Å; E161-Q165 WeakPolarHBondContact O-CG 3.32Å; E161-Q165 PolarHBondContact O-N 3.31Å
162I83Confident85.3Confident47 Ų4783.2 Ų83.224%0.24141%0.405CS..Hα-helixtrans-59.7-43.8171.8-66.7164.8000110.9F125 P127 F158 Q164 N166F125-I162 HydrophobicContact CB-CG2 4.07Å; P127-I162 HydrophobicContact CG-CD1 4.32Å; F158-I162 WeakPolarHBondContact O-CB 3.32Å; F158-I162 VanDerWaalsContact O-CG1 3.29Å; F158-I162 WeakPolarHBondContact O-CG1 3.34Å; F158-I162 PolarHBondContact O-N 3.46Å; I162-Q164 VanDerWaalsContact C-N 3.35Å; I162-Q164 PolarHBondContact O-N 3.5Å; I162-N166 WeakPolarHBondContact O-CB 3.38Å; I162-N166 VanDerWaalsContact O-CG 3.24Å; I162-N166 PolarHBondContact O-N 3.24Å; I162-N166 PolarHBondContact O-ND2 2.96Å
163K84Confident85.5Confident99 Ų9984.6 Ų84.643%0.4342%0.422SS..Hα-helixtrans-62.8-40.8175.7178.7174.5173.1179.70112.1F125 T159 K160 E161 S167F125-K163 HydrophobicContact CD2-CB 4.27Å; F125-K163 HydrophobicContact CE2-CB 4.41Å; F125-K163 HydrophobicContact CE2-CD 4.07Å; F125-K163 HydrophobicContact CE2-CG 4.25Å; F125-K163 HydrophobicContact CG-CB 4.43Å; F125-K163 HydrophobicContact CZ-CD 4.5Å; F125-K163 HydrophobicContact CZ-CG 4.34Å; T159-K163 WeakPolarHBondContact O-CB 3.43Å; T159-K163 PolarHBondContact O-N 2.99Å; T159-K163 VanDerWaalsContact O-N 3.13Å; K160-K163 PolarHBondContact O-N 3.36Å; E161-K163 PolarHBondContact O-N 2.9Å; K163-S167 PolarHBondContact O-N 3.21Å; K163-S167 VanDerWaalsContact O-N 3.11Å
164Q87.4Confident85.8Confident103 Ų10381.5 Ų81.548%0.48141%0.411SS..Hα-helixtrans-63.2-52.3177.6-177.462.729.100110.4K160 E161 I162 N166 S167 E168K160-Q164 WeakPolarHBondContact O-CB 3.38Å; K160-Q164 PolarHBondContact O-N 3.48Å; E161-Q164 WeakPolarHBondContact O-CB 3.49Å; E161-Q164 PolarHBondContact O-N 3.31Å; I162-Q164 VanDerWaalsContact C-N 3.35Å; I162-Q164 PolarHBondContact O-N 3.5Å; Q164-N166 VanDerWaalsContact C-N 3.33Å; Q164-N166 PolarHBondContact O-N 2.91Å; Q164-S167 PolarHBondContact O-N 2.96Å; Q164-S167 PolarHBondContact O-OG 2.91Å; Q164-E168 WeakPolarHBondContact CG-OE1 3.24Å; Q164-E168 PolarHBondContact NE2-OE1 3.41Å; Q164-E168 PolarHBondContact O-N 3.01Å
165Q86.1Confident86.2Confident109 Ų10980.6 Ų80.651%0.50941%0.411SS..Hα-helixtrans-58.2-41.1177.4-73.3178.8-14.400112.5E161 S167 E168 M169E161-Q165 WeakPolarHBondContact O-CG 3.32Å; E161-Q165 PolarHBondContact O-N 3.31Å; Q165-S167 VanDerWaalsContact C-N 3.33Å; Q165-S167 PolarHBondContact O-N 3.36Å; Q165-E168 PolarHBondContact O-N 3.47Å; Q165-M169 WeakPolarHBondContact O-CB 3.46Å; Q165-M169 PolarHBondContact O-N 3.4Å
166N83.3Confident86.5Confident62 Ų6285.2 Ų85.233%0.33244%0.435SS..Hα-helixtrans-61.7-40.2174.5-76.2-23000112.3I162 Q164 M169 E170I162-N166 WeakPolarHBondContact O-CB 3.38Å; I162-N166 VanDerWaalsContact O-CG 3.24Å; I162-N166 PolarHBondContact O-N 3.24Å; I162-N166 PolarHBondContact O-ND2 2.96Å; Q164-N166 VanDerWaalsContact C-N 3.33Å; Q164-N166 PolarHBondContact O-N 2.91Å; N166-M169 PolarHBondContact O-N 2.95Å; N166-E170 WeakPolarHBondContact O-CB 3.23Å; N166-E170 PolarHBondContact O-N 3.32Å
167S87.7Confident87Confident38 Ų3888.5 Ų88.527%0.26645%0.447SS..Hα-helixtrans-71.1-31.4175.973.10000113K163 Q164 Q165 N171K163-S167 PolarHBondContact O-N 3.21Å; K163-S167 VanDerWaalsContact O-N 3.11Å; Q164-S167 PolarHBondContact O-N 2.96Å; Q164-S167 PolarHBondContact O-OG 2.91Å; Q165-S167 VanDerWaalsContact C-N 3.33Å; Q165-S167 PolarHBondContact O-N 3.36Å; S167-N171 WeakPolarHBondContact O-CB 3.23Å; S167-N171 PolarHBondContact O-N 3.06Å; S167-N171 PolarHBondContact O-ND2 3.47Å
168E90.3Very high87.4Confident92 Ų9291.8 Ų91.843%0.4345%0.453SS..Hα-helixtrans-70.2-41.9173.3-72.5169.1-175.200110.9Q164 Q165 N171 L172Q164-E168 WeakPolarHBondContact CG-OE1 3.24Å; Q164-E168 PolarHBondContact NE2-OE1 3.41Å; Q164-E168 PolarHBondContact O-N 3.01Å; Q165-E168 PolarHBondContact O-N 3.47Å; E168-N171 PolarHBondContact O-N 2.91Å; E168-L172 WeakPolarHBondContact O-CB 3.36Å; E168-L172 VanDerWaalsContact O-CG 3.27Å; E168-L172 WeakPolarHBondContact O-CG 3.18Å; E168-L172 PolarHBondContact O-N 3.1Å
169M83.3Confident87.8Confident116 Ų11688.9 Ų88.957%0.57145%0.451SS*.Hα-helixtrans-61.3-42.5173.3-177.6172.562.600112.4Q165 N166 L172 A173Q165-M169 WeakPolarHBondContact O-CB 3.46Å; Q165-M169 PolarHBondContact O-N 3.4Å; N166-M169 PolarHBondContact O-N 2.95Å; M169-L172 PolarHBondContact O-N 3.12Å; M169-A173 WeakPolarHBondContact O-CB 3.23Å; M169-A173 PolarHBondContact O-N 3.48Å
170E88.3Confident88.2Confident129 Ų12995.2 Ų95.260%0.60348%0.48SS*.Hα-helixtrans-63.2-44.3174.6-174.7177.7-167.600111.7N166 L172 A173 L174N166-E170 WeakPolarHBondContact O-CB 3.23Å; N166-E170 PolarHBondContact O-N 3.32Å; E170-L172 PolarHBondContact O-N 3.44Å; E170-A173 PolarHBondContact O-N 3.49Å; E170-L174 HydrophobicContact CG-CD1 4.42Å; E170-L174 WeakPolarHBondContact O-CG 3.4Å; E170-L174 PolarHBondContact O-N 2.69Å
171N91.4Very high88.6Confident102 Ų10293.1 Ų93.155%0.54548%0.475SS..Hα-helixtrans-64.2-38.9175.6-80.8-65.7000112.5S167 E168 L174 A175S167-N171 WeakPolarHBondContact O-CB 3.23Å; S167-N171 PolarHBondContact O-N 3.06Å; S167-N171 PolarHBondContact O-ND2 3.47Å; E168-N171 PolarHBondContact O-N 2.91Å; N171-L174 PolarHBondContact O-N 2.88Å; N171-A175 WeakPolarHBondContact O-CB 3.29Å; N171-A175 PolarHBondContact O-N 2.98Å
172L91.9Very high89Confident111 Ų11193.7 Ų93.758%0.58148%0.478SS*.Hα-helixtrans-67.1-42.9175.2-74.4169000111.8E168 M169 E170 L174 A175 I176E168-L172 WeakPolarHBondContact O-CB 3.36Å; E168-L172 VanDerWaalsContact O-CG 3.27Å; E168-L172 WeakPolarHBondContact O-CG 3.18Å; E168-L172 PolarHBondContact O-N 3.1Å; M169-L172 PolarHBondContact O-N 3.12Å; E170-L172 PolarHBondContact O-N 3.44Å; L172-L174 VanDerWaalsContact C-N 3.32Å; L172-L174 PolarHBondContact O-N 2.99Å; L172-A175 WeakPolarHBondContact O-CB 3.37Å; L172-A175 PolarHBondContact O-N 2.93Å; L172-I176 WeakPolarHBondContact O-CG1 3.47Å; L172-I176 PolarHBondContact O-N 2.96Å
173A87.4Confident89.3Confident56 Ų5693.7 Ų93.746%0.46349%0.485SS..Hα-helixtrans-60.4-41.4174.500000111.7M169 E170 A175 K177M169-A173 WeakPolarHBondContact O-CB 3.23Å; M169-A173 PolarHBondContact O-N 3.48Å; E170-A173 PolarHBondContact O-N 3.49Å; A173-A175 VanDerWaalsContact C-N 3.33Å; A173-A175 PolarHBondContact O-N 3.18Å; A173-K177 WeakPolarHBondContact O-CB 3.48Å; A173-K177 PolarHBondContact O-N 2.97Å
174L91.3Very high89.6Confident74 Ų7492.3 Ų92.339%0.38749%0.487SS..Hα-helixtrans-68.5-27.4173.3-70.3171.3000113.3E170 N171 L172 R178E170-L174 HydrophobicContact CG-CD1 4.42Å; E170-L174 WeakPolarHBondContact O-CG 3.4Å; E170-L174 PolarHBondContact O-N 2.69Å; N171-L174 PolarHBondContact O-N 2.88Å; L172-L174 VanDerWaalsContact C-N 3.32Å; L172-L174 PolarHBondContact O-N 2.99Å; L174-R178 VanDerWaalsContact O-CG 3.27Å; L174-R178 WeakPolarHBondContact O-CG 3.36Å; L174-R178 PolarHBondContact O-N 2.97Å; L174-R178 PolarHBondContact O-NH1 3.12Å
175A92.3Very high89.9Confident50 Ų5092.4 Ų92.441%0.41349%0.489SS..Hα-helixtrans-75.7-46.817400000111.6N171 L172 A173 K177 R178 A179N171-A175 WeakPolarHBondContact O-CB 3.29Å; N171-A175 PolarHBondContact O-N 2.98Å; L172-A175 WeakPolarHBondContact O-CB 3.37Å; L172-A175 PolarHBondContact O-N 2.93Å; A173-A175 VanDerWaalsContact C-N 3.33Å; A173-A175 PolarHBondContact O-N 3.18Å; A175-K177 VanDerWaalsContact C-N 3.34Å; A175-K177 PolarHBondContact O-N 2.93Å; A175-R178 PolarHBondContact O-N 2.84Å; A175-A179 PolarHBondContact O-N 2.93Å
176I88.5Confident90.2Very high115 Ų11592.5 Ų92.559%0.5949%0.49SS*.Hα-helixtrans-58.2-47.1175.1-68.6164.9000110L172 R178 A179 Q180L172-I176 WeakPolarHBondContact O-CG1 3.47Å; L172-I176 PolarHBondContact O-N 2.96Å; I176-R178 PolarHBondContact O-N 2.64Å; I176-A179 PolarHBondContact O-N 3.14Å; I176-Q180 PolarHBondContact O-N 3.1Å
177K92.2Very high90.4Very high120 Ų12093.9 Ų93.952%0.52250%0.497SS..Hα-helixtrans-58.9-47.8177.1-177.6174.2177.5-179.30111.9A173 A175 A179 Q180 D181A173-K177 WeakPolarHBondContact O-CB 3.48Å; A173-K177 PolarHBondContact O-N 2.97Å; A175-K177 VanDerWaalsContact C-N 3.34Å; A175-K177 PolarHBondContact O-N 2.93Å; K177-A179 VanDerWaalsContact C-N 3.28Å; K177-A179 PolarHBondContact O-N 2.77Å; K177-Q180 PolarHBondContact O-N 3.15Å; K177-Q180 VanDerWaalsContact O-N 3.14Å; K177-D181 WeakPolarHBondContact CE-OD1 3.48Å; K177-D181 VanDerWaalsContact CE-OD2 3.26Å; K177-D181 WeakPolarHBondContact CE-OD2 3.38Å; K177-D181 WeakPolarHBondContact CG-OD2 3.23Å; K177-D181 WeakPolarHBondContact O-CB 3.29Å; K177-D181 PolarHBondContact O-N 2.93Å
178R93.9Very high90.6Very high155 Ų15594.8 Ų94.859%0.58550%0.503SS*.Hα-helixtrans-60.4-37.4177.8-73176.5-165.5109.1-7112.6L174 A175 I176 Q182L174-R178 VanDerWaalsContact O-CG 3.27Å; L174-R178 WeakPolarHBondContact O-CG 3.36Å; L174-R178 PolarHBondContact O-N 2.97Å; L174-R178 PolarHBondContact O-NH1 3.12Å; A175-R178 PolarHBondContact O-N 2.84Å; I176-R178 PolarHBondContact O-N 2.64Å; R178-Q182 VanDerWaalsContact O-CB 3.25Å; R178-Q182 WeakPolarHBondContact O-CB 3.36Å; R178-Q182 PolarHBondContact O-N 2.92Å
179A91.3Very high90.8Very high58 Ų5895.5 Ų95.548%0.47951%0.506SS..Hα-helixtrans-68.3-38.5175.700000112.2A175 I176 K177 A183A175-A179 PolarHBondContact O-N 2.93Å; I176-A179 PolarHBondContact O-N 3.14Å; K177-A179 VanDerWaalsContact C-N 3.28Å; K177-A179 PolarHBondContact O-N 2.77Å; A179-A183 WeakPolarHBondContact O-CB 3.47Å; A179-A183 PolarHBondContact O-N 3.32Å
180Q89.3Confident91.1Very high137 Ų13795.7 Ų95.764%0.6451%0.507SS*.Hα-helixtrans-67.5-46.4174.5-176177.55.500112I176 K177 Q182 A183 S184I176-Q180 PolarHBondContact O-N 3.1Å; K177-Q180 PolarHBondContact O-N 3.15Å; K177-Q180 VanDerWaalsContact O-N 3.14Å; Q180-Q182 VanDerWaalsContact C-N 3.33Å; Q180-Q182 PolarHBondContact O-N 3Å; Q180-A183 PolarHBondContact O-N 3.04Å; Q180-S184 PolarHBondContact O-N 2.87Å; Q180-S184 PolarHBondContact O-OG 2.83Å
181D92.2Very high91.1Very high78 Ų7894.6 Ų94.642%0.41750%0.502SS..Hα-helixtrans-57.4-47.6175.1-64.8-19.7000109.5K177 S184 M185K177-D181 WeakPolarHBondContact CE-OD1 3.48Å; K177-D181 VanDerWaalsContact CE-OD2 3.26Å; K177-D181 WeakPolarHBondContact CE-OD2 3.38Å; K177-D181 WeakPolarHBondContact CG-OD2 3.23Å; K177-D181 WeakPolarHBondContact O-CB 3.29Å; K177-D181 PolarHBondContact O-N 2.93Å; D181-S184 PolarHBondContact O-N 2.84Å; D181-S184 PolarHBondContact O-OG 3.15Å; D181-M185 PolarHBondContact O-N 2.94Å; D181-M185 VanDerWaalsContact O-N 3.08Å
182Q93.4Very high91.2Very high116 Ų11695.5 Ų95.554%0.54250%0.503SS..Hα-helixtrans-62.3-43176.3-177.8176.5-7.100112.9R178 Q180 M185 Q186R178-Q182 VanDerWaalsContact O-CB 3.25Å; R178-Q182 WeakPolarHBondContact O-CB 3.36Å; R178-Q182 PolarHBondContact O-N 2.92Å; Q180-Q182 VanDerWaalsContact C-N 3.33Å; Q180-Q182 PolarHBondContact O-N 3Å; Q182-M185 PolarHBondContact O-N 2.96Å; Q182-Q186 WeakPolarHBondContact O-CG 3.45Å; Q182-Q186 PolarHBondContact O-N 3.11Å; Q182-Q186 VanDerWaalsContact O-N 3.08Å
183A90.4Very high91.4Very high47 Ų4795.1 Ų95.139%0.38850%0.498SS..Hα-helixtrans-64.2-39.917700000111.9A179 Q180 M185 Q186 L187A179-A183 WeakPolarHBondContact O-CB 3.47Å; A179-A183 PolarHBondContact O-N 3.32Å; Q180-A183 PolarHBondContact O-N 3.04Å; A183-M185 VanDerWaalsContact C-N 3.32Å; A183-M185 PolarHBondContact O-N 2.98Å; A183-Q186 PolarHBondContact O-N 2.83Å; A183-L187 WeakPolarHBondContact O-CG 3.3Å; A183-L187 PolarHBondContact O-N 2.9Å
184S89.1Confident91.3Very high70 Ų7097.3 Ų97.349%0.4950%0.5SS..Hα-helixtrans-64-36.9176.2720000112.6Q180 D181 L187 S188Q180-S184 PolarHBondContact O-N 2.87Å; Q180-S184 PolarHBondContact O-OG 2.83Å; D181-S184 PolarHBondContact O-N 2.84Å; D181-S184 PolarHBondContact O-OG 3.15Å; S184-L187 PolarHBondContact O-N 3.43Å; S184-S188 PolarHBondContact O-N 3.43Å
185M93.6Very high91.2Very high106 Ų10697.6 Ų97.652%0.52250%0.502SS..Hα-helixtrans-65.2-43.7174.7-166.3178.97900111.5D181 Q182 A183 L187 S188 E189D181-M185 PolarHBondContact O-N 2.94Å; D181-M185 VanDerWaalsContact O-N 3.08Å; Q182-M185 PolarHBondContact O-N 2.96Å; A183-M185 VanDerWaalsContact C-N 3.32Å; A183-M185 PolarHBondContact O-N 2.98Å; M185-L187 VanDerWaalsContact C-N 3.33Å; M185-L187 PolarHBondContact O-N 2.91Å; M185-S188 PolarHBondContact O-N 3.3Å; M185-E189 WeakPolarHBondContact O-CG 3.43Å; M185-E189 PolarHBondContact O-N 3.01Å
186Q93.9Very high91.3Very high111 Ų111100.8 Ų100.852%0.51951%0.508SS..Hα-helixtrans-67.3-31177.2-70-171.1-54.800113.5Q182 A183 M190Q182-Q186 WeakPolarHBondContact O-CG 3.45Å; Q182-Q186 PolarHBondContact O-N 3.11Å; Q182-Q186 VanDerWaalsContact O-N 3.08Å; A183-Q186 PolarHBondContact O-N 2.83Å; Q186-M190 WeakPolarHBondContact O-CB 3.39Å; Q186-M190 PolarHBondContact O-N 3.48Å; Q186-M190 VanDerWaalsContact O-N 3.13Å
187L87.4Confident91.5Very high91 Ų91103 Ų10348%0.47651%0.509SS..Hα-helixtrans-67.5-47171.8-70.9170.6000110.7A183 S184 M185 E189 M190 E191A183-L187 WeakPolarHBondContact O-CG 3.3Å; A183-L187 PolarHBondContact O-N 2.9Å; S184-L187 PolarHBondContact O-N 3.43Å; M185-L187 VanDerWaalsContact C-N 3.33Å; M185-L187 PolarHBondContact O-N 2.91Å; L187-E189 PolarHBondContact O-N 3.1Å; L187-M190 HydrophobicContact CD2-CE 4Å; L187-M190 PolarHBondContact O-N 3.33Å; L187-M190 VanDerWaalsContact O-N 3.11Å; L187-E191 WeakPolarHBondContact O-CB 3.36Å; L187-E191 WeakPolarHBondContact O-CG 3.45Å; L187-E191 PolarHBondContact O-N 3.16Å
188S91.8Very high91.4Very high56 Ų56100.5 Ų100.539%0.39250%0.501SS..Hα-helixtrans-58.9-43.3175.9-1660000112.7S184 M185 M190 E191 E192S184-S188 PolarHBondContact O-N 3.43Å; M185-S188 PolarHBondContact O-N 3.3Å; S188-M190 VanDerWaalsContact C-N 3.32Å; S188-M190 PolarHBondContact O-N 3.07Å; S188-E191 PolarHBondContact O-N 3.23Å; S188-E192 PolarHBondContact O-N 3.46Å
189E93.9Very high91.3Very high108 Ų10897.7 Ų97.751%0.50549%0.494SS..Hα-helixtrans-61.1-39.5174.8-73.6173.1174.300111.9M185 L187 E193M185-E189 WeakPolarHBondContact O-CG 3.43Å; M185-E189 PolarHBondContact O-N 3.01Å; L187-E189 PolarHBondContact O-N 3.1Å; E189-E193 WeakPolarHBondContact O-CB 3.5Å; E189-E193 PolarHBondContact O-N 3.37Å
190M89.1Confident91.5Very high119 Ų11996.6 Ų96.659%0.58649%0.485SS*.Hα-helixtrans-73.5-35.4178.8-173.8-179.168.300112.7Q186 L187 S188 E193 M194Q186-M190 WeakPolarHBondContact O-CB 3.39Å; Q186-M190 PolarHBondContact O-N 3.48Å; Q186-M190 VanDerWaalsContact O-N 3.13Å; L187-M190 HydrophobicContact CD2-CE 4Å; L187-M190 PolarHBondContact O-N 3.33Å; L187-M190 VanDerWaalsContact O-N 3.11Å; S188-M190 VanDerWaalsContact C-N 3.32Å; S188-M190 PolarHBondContact O-N 3.07Å; M190-E193 PolarHBondContact O-N 2.94Å; M190-M194 WeakPolarHBondContact O-CB 3.42Å; M190-M194 PolarHBondContact O-N 3.14Å
191E88.5Confident91.4Very high107 Ų10794 Ų9450%0.548%0.479SS..Hα-helixtrans-65.7-47.8174.5-74.5167.3-179.600110.5L187 S188 E193 M194 D195L187-E191 WeakPolarHBondContact O-CB 3.36Å; L187-E191 WeakPolarHBondContact O-CG 3.45Å; L187-E191 PolarHBondContact O-N 3.16Å; S188-E191 PolarHBondContact O-N 3.23Å; E191-E193 PolarHBondContact O-N 3.47Å; E191-M194 WeakPolarHBondContact O-CB 3.45Å; E191-M194 PolarHBondContact O-N 2.89Å; E191-M194 VanDerWaalsContact O-N 3.1Å; E191-D195 PolarHBondContact O-N 3.3Å
192E94.6Very high91.2Very high121 Ų12195.5 Ų95.557%0.56548%0.483SS*.Hα-helixtrans-59.5-41.6173.3-75.8-173.9-15100112.7S188 M194 Q196S188-E192 PolarHBondContact O-N 3.46Å; E192-M194 VanDerWaalsContact C-N 3.35Å; E192-Q196 WeakPolarHBondContact O-CB 3.3Å; E192-Q196 WeakPolarHBondContact O-CG 3.29Å; E192-Q196 PolarHBondContact O-N 2.86Å; E192-Q196 PolarHBondContact O-NE2 2.76Å
193E95.3Very high91.2Very high103 Ų10397.4 Ų97.448%0.48149%0.485SS..Hα-helixtrans-64.6-37.2174-92.6-144.7-139.800112.6E189 M190 E191 R197E189-E193 WeakPolarHBondContact O-CB 3.5Å; E189-E193 PolarHBondContact O-N 3.37Å; M190-E193 PolarHBondContact O-N 2.94Å; E191-E193 PolarHBondContact O-N 3.47Å; E193-R197 VanDerWaalsContact O-CD 3.28Å; E193-R197 WeakPolarHBondContact O-CD 3.28Å; E193-R197 WeakPolarHBondContact O-CG 3.44Å; E193-R197 PolarHBondContact O-N 3.04Å; E193-R197 IonicContact OE2-CZ 3.49Å; E193-R197 IonicContact OE2-NE 2.69Å; E193-R197 PolarHBondContact OE2-NE 3.45Å; E193-R197 IonicContact OE2-NH2 3.69Å; E193-R197 PolarHBondContact OE2-NH2 3.42Å
194M85.8Confident91.3Very high101 Ų101102 Ų10250%0.49850%0.497SS..Hα-helixtrans-67.3-48.8178.3-175178.667.200111M190 E191 E192 Q196 R197 I198M190-M194 WeakPolarHBondContact O-CB 3.42Å; M190-M194 PolarHBondContact O-N 3.14Å; E191-M194 WeakPolarHBondContact O-CB 3.45Å; E191-M194 PolarHBondContact O-N 2.89Å; E191-M194 VanDerWaalsContact O-N 3.1Å; E192-M194 VanDerWaalsContact C-N 3.35Å; M194-Q196 PolarHBondContact O-N 2.8Å; M194-R197 WeakPolarHBondContact O-CB 3.45Å; M194-R197 PolarHBondContact O-N 3.13Å; M194-R197 VanDerWaalsContact O-N 3.09Å; M194-I198 HydrophobicContact CG-CD1 3.85Å; M194-I198 HydrophobicContact CG-CG1 4.44Å; M194-I198 WeakPolarHBondContact O-CG1 3.48Å; M194-I198 PolarHBondContact O-N 3.3Å; M194-I198 HydrophobicContact SD-CD1 4.49Å
195D89.6Confident91.2Very high80 Ų80102.1 Ų102.143%0.42850%0.495SS..Hα-helixtrans-63.8-40.7180-78.9-2.9000111.8E191 R197 I198 Q199E191-D195 PolarHBondContact O-N 3.3Å; D195-R197 VanDerWaalsContact C-N 3.28Å; D195-R197 PolarHBondContact O-N 2.98Å; D195-I198 PolarHBondContact O-N 3.27Å; D195-Q199 WeakPolarHBondContact O-CB 3.39Å; D195-Q199 VanDerWaalsContact O-CG 3.28Å; D195-Q199 WeakPolarHBondContact O-CG 3.31Å; D195-Q199 PolarHBondContact O-N 3.23Å
196Q94.4Very high91.1Very high117 Ų117106.5 Ų106.555%0.54751%0.505SS..Hα-helixtrans-58.9-39.6172.7-75.8175.460.200112.1E192 M194 A200E192-Q196 WeakPolarHBondContact O-CB 3.3Å; E192-Q196 WeakPolarHBondContact O-CG 3.29Å; E192-Q196 PolarHBondContact O-N 2.86Å; E192-Q196 PolarHBondContact O-NE2 2.76Å; M194-Q196 PolarHBondContact O-N 2.8Å; Q196-A200 WeakPolarHBondContact O-CB 3.47Å; Q196-A200 PolarHBondContact O-N 2.88Å
197R92.2Very high91.1Very high162 Ų162106.3 Ų106.361%0.61150%0.504SS*.Hα-helixtrans-69-44.3176.1-68.8163.2-172.4-146.96.9111.4E193 M194 D195 A200 T201E193-R197 VanDerWaalsContact O-CD 3.28Å; E193-R197 WeakPolarHBondContact O-CD 3.28Å; E193-R197 WeakPolarHBondContact O-CG 3.44Å; E193-R197 PolarHBondContact O-N 3.04Å; E193-R197 IonicContact OE2-CZ 3.49Å; E193-R197 IonicContact OE2-NE 2.69Å; E193-R197 PolarHBondContact OE2-NE 3.45Å; E193-R197 IonicContact OE2-NH2 3.69Å; E193-R197 PolarHBondContact OE2-NH2 3.42Å; M194-R197 WeakPolarHBondContact O-CB 3.45Å; M194-R197 PolarHBondContact O-N 3.13Å; M194-R197 VanDerWaalsContact O-N 3.09Å; D195-R197 VanDerWaalsContact C-N 3.28Å; D195-R197 PolarHBondContact O-N 2.98Å; R197-A200 PolarHBondContact O-N 3.13Å; R197-T201 PolarHBondContact O-N 2.67Å; R197-T201 PolarHBondContact O-OG1 3.21Å
198I90.8Very high91.4Very high68 Ų68106.8 Ų106.835%0.34950%0.504SS..Hα-helixtrans-57.5-58.9176.5-69.6166.9000109.6M194 D195 A200 T201 E202M194-I198 HydrophobicContact CG-CD1 3.85Å; M194-I198 HydrophobicContact CG-CG1 4.44Å; M194-I198 WeakPolarHBondContact O-CG1 3.48Å; M194-I198 PolarHBondContact O-N 3.3Å; M194-I198 HydrophobicContact SD-CD1 4.49Å; D195-I198 PolarHBondContact O-N 3.27Å; I198-A200 PolarHBondContact O-N 3.11Å; I198-A200 VanDerWaalsContact O-N 3.13Å; I198-T201 WeakPolarHBondContact O-CA 3.31Å; I198-T201 PolarHBondContact O-N 2.91Å; I198-T201 PolarHBondContact O-OG1 3Å; I198-E202 HydrophobicContact CG2-CG 4.25Å; I198-E202 WeakPolarHBondContact O-CG 3.3Å; I198-E202 PolarHBondContact O-N 2.92Å
199Q91.8Very high91.2Very high96 Ų96109.4 Ų109.445%0.44951%0.51SS..Hα-helixtrans-57.7-32.2178.9-66.517519.800112.9D195 R203D195-Q199 WeakPolarHBondContact O-CB 3.39Å; D195-Q199 VanDerWaalsContact O-CG 3.28Å; D195-Q199 WeakPolarHBondContact O-CG 3.31Å; D195-Q199 PolarHBondContact O-N 3.23Å; Q199-R203 WeakPolarHBondContact O-CB 3.44Å; Q199-R203 WeakPolarHBondContact O-CG 3.41Å; Q199-R203 PolarHBondContact O-N 2.95Å; Q199-R203 VanDerWaalsContact O-N 3.12Å; Q199-R203 PolarHBondContact O-NE 2.78Å
200A94Very high91.2Very high34 Ų34110.9 Ų110.928%0.28152%0.515SS..Hα-helixtrans-76.2-25.5176.200000113.1Q196 R197 I198 K204Q196-A200 WeakPolarHBondContact O-CB 3.47Å; Q196-A200 PolarHBondContact O-N 2.88Å; R197-A200 PolarHBondContact O-N 3.13Å; I198-A200 PolarHBondContact O-N 3.11Å; I198-A200 VanDerWaalsContact O-N 3.13Å; A200-K204 VanDerWaalsContact O-CD 3.29Å; A200-K204 WeakPolarHBondContact O-CD 3.44Å; A200-K204 VanDerWaalsContact O-CG 3.29Å; A200-K204 WeakPolarHBondContact O-CG 3.4Å
201T86.9Confident91.4Very high83 Ų83110.2 Ų110.251%0.50951%0.509SS..Hα-helixtrans-78.7-43.9169.852.80000112.1R197 I198 R203 K204 T205R197-T201 PolarHBondContact O-N 2.67Å; R197-T201 PolarHBondContact O-OG1 3.21Å; I198-T201 WeakPolarHBondContact O-CA 3.31Å; I198-T201 PolarHBondContact O-N 2.91Å; I198-T201 PolarHBondContact O-OG1 3Å; T201-R203 PolarHBondContact O-N 3.27Å; T201-K204 WeakPolarHBondContact O-CA 3.4Å; T201-K204 WeakPolarHBondContact O-CB 3.21Å; T201-K204 PolarHBondContact O-N 3.07Å; T201-T205 PolarHBondContact O-N 2.75Å; T201-T205 PolarHBondContact O-OG1 3.45Å
202E88.9Confident91.6Very high109 Ų109110.8 Ų110.851%0.50951%0.512SS..Hα-helixtrans-61-41.7177.4-68175.1150.500112.6I198 K204 T205 R206I198-E202 HydrophobicContact CG2-CG 4.25Å; I198-E202 WeakPolarHBondContact O-CG 3.3Å; I198-E202 PolarHBondContact O-N 2.92Å; E202-K204 VanDerWaalsContact C-N 3.26Å; E202-K204 PolarHBondContact O-N 3.33Å; E202-T205 WeakPolarHBondContact CA-OG1 3.22Å; E202-T205 PolarHBondContact O-N 2.73Å; E202-T205 PolarHBondContact O-OG1 3.04Å; E202-R206 VanDerWaalsContact O-CB 3.24Å; E202-R206 WeakPolarHBondContact O-CB 3.38Å; E202-R206 PolarHBondContact O-N 2.92Å
203R92.3Very high91.2Very high156 Ų156109 Ų10959%0.58951%0.509SS*.Hα-helixtrans-60.1-36.8173.4-80.7176-80.2174.7-12.1112.1Q199 T201 E207Q199-R203 WeakPolarHBondContact O-CB 3.44Å; Q199-R203 WeakPolarHBondContact O-CG 3.41Å; Q199-R203 PolarHBondContact O-N 2.95Å; Q199-R203 VanDerWaalsContact O-N 3.12Å; Q199-R203 PolarHBondContact O-NE 2.78Å; T201-R203 PolarHBondContact O-N 3.27Å; R203-E207 VanDerWaalsContact O-CB 3.27Å; R203-E207 WeakPolarHBondContact O-CB 3.31Å; R203-E207 PolarHBondContact O-N 3.15Å
204K93.6Very high91.2Very high143 Ų143109.6 Ų109.662%0.62251%0.512SS*.Hα-helixtrans-73.6-40.4178.1-71169.2-174169.10112.6A200 T201 E202 Q208A200-K204 VanDerWaalsContact O-CD 3.29Å; A200-K204 WeakPolarHBondContact O-CD 3.44Å; A200-K204 VanDerWaalsContact O-CG 3.29Å; A200-K204 WeakPolarHBondContact O-CG 3.4Å; T201-K204 WeakPolarHBondContact O-CA 3.4Å; T201-K204 WeakPolarHBondContact O-CB 3.21Å; T201-K204 PolarHBondContact O-N 3.07Å; E202-K204 VanDerWaalsContact C-N 3.26Å; E202-K204 PolarHBondContact O-N 3.33Å; K204-Q208 VanDerWaalsContact O-CB 3.27Å; K204-Q208 WeakPolarHBondContact O-CB 3.36Å; K204-Q208 PolarHBondContact O-N 3.45Å
205T86.6Confident91.6Very high74 Ų74107.6 Ų107.645%0.45451%0.512SS..Hα-helixtrans-66.1-47.9175.452.70000110.6T201 E202 E207 Q208 E209T201-T205 PolarHBondContact O-N 2.75Å; T201-T205 PolarHBondContact O-OG1 3.45Å; E202-T205 WeakPolarHBondContact CA-OG1 3.22Å; E202-T205 PolarHBondContact O-N 2.73Å; E202-T205 PolarHBondContact O-OG1 3.04Å; T205-E207 VanDerWaalsContact C-N 3.33Å; T205-E207 PolarHBondContact O-N 2.91Å; T205-Q208 CarbonylContact O-C 3.4Å; T205-Q208 WeakPolarHBondContact O-CA 3.45Å; T205-Q208 WeakPolarHBondContact O-CB 3.36Å; T205-Q208 PolarHBondContact O-N 3.42Å; T205-E209 WeakPolarHBondContact O-CB 3.43Å; T205-E209 WeakPolarHBondContact O-CG 3.37Å; T205-E209 PolarHBondContact O-N 3.11Å
206R92.3Very high91.8Very high197 Ų197106.6 Ų106.674%0.74351%0.514SS*.Hα-helixtrans-62.3-35.6178.7-165.9172.3-174.5141.71113.3E202 K210E202-R206 VanDerWaalsContact O-CB 3.24Å; E202-R206 WeakPolarHBondContact O-CB 3.38Å; E202-R206 PolarHBondContact O-N 2.92Å; R206-K210 WeakPolarHBondContact O-CB 3.42Å; R206-K210 PolarHBondContact O-N 3.15Å
207E94.4Very high91.8Very high107 Ų107106.6 Ų106.650%0.552%0.518SS..Hα-helixtrans-70.7-37172.9-164.5-169.415800112.1R203 T205 K211R203-E207 VanDerWaalsContact O-CB 3.27Å; R203-E207 WeakPolarHBondContact O-CB 3.31Å; R203-E207 PolarHBondContact O-N 3.15Å; T205-E207 VanDerWaalsContact C-N 3.33Å; T205-E207 PolarHBondContact O-N 2.91Å; E207-K211 WeakPolarHBondContact O-CG 3.3Å; E207-K211 PolarHBondContact O-N 3.43Å; E207-K211 VanDerWaalsContact OE1-CE 3.25Å; E207-K211 WeakPolarHBondContact OE1-CE 3.3Å; E207-K211 IonicContact OE1-NZ 2.63Å; E207-K211 PolarHBondContact OE1-NZ 3.23Å
208Q92.4Very high92Very high102 Ų102102.4 Ų102.448%0.47751%0.513SS..Hα-helixtrans-69.3-41.5176.5178.959.925.500112.1K204 T205 K211 Q212K204-Q208 VanDerWaalsContact O-CB 3.27Å; K204-Q208 WeakPolarHBondContact O-CB 3.36Å; K204-Q208 PolarHBondContact O-N 3.45Å; T205-Q208 CarbonylContact O-C 3.4Å; T205-Q208 WeakPolarHBondContact O-CA 3.45Å; T205-Q208 WeakPolarHBondContact O-CB 3.36Å; T205-Q208 PolarHBondContact O-N 3.42Å; Q208-K211 PolarHBondContact O-N 3.08Å; Q208-Q212 WeakPolarHBondContact O-CG 3.43Å; Q208-Q212 PolarHBondContact O-N 3.27Å
209E88.3Confident92.2Very high110 Ų110105.8 Ų105.851%0.51453%0.527SS..Hα-helixtrans-61.2-46.5173.4-73.5161.9-173.900110.9T205 K211 Q212 T213T205-E209 WeakPolarHBondContact O-CB 3.43Å; T205-E209 WeakPolarHBondContact O-CG 3.37Å; T205-E209 PolarHBondContact O-N 3.11Å; E209-K211 VanDerWaalsContact C-N 3.3Å; E209-K211 PolarHBondContact O-N 2.94Å; E209-Q212 WeakPolarHBondContact O-CB 3.23Å; E209-Q212 PolarHBondContact O-N 3.21Å; E209-Q212 VanDerWaalsContact O-N 3.09Å; E209-T213 PolarHBondContact O-N 3.28Å; E209-T213 PolarHBondContact O-OG1 2.68Å
210K92.6Very high92.3Very high140 Ų140107 Ų10761%0.60954%0.536SS*.Hα-helixtrans-58-42174.3-175.6179.5175.6-176.90112R206 Q212 T213 E214R206-K210 WeakPolarHBondContact O-CB 3.42Å; R206-K210 PolarHBondContact O-N 3.15Å; K210-Q212 VanDerWaalsContact C-N 3.33Å; K210-Q212 PolarHBondContact O-N 3.13Å; K210-T213 PolarHBondContact O-N 2.89Å; K210-T213 PolarHBondContact O-OG1 2.67Å; K210-T213 VanDerWaalsContact O-OG1 3.09Å; K210-E214 VanDerWaalsContact O-CB 3.24Å; K210-E214 WeakPolarHBondContact O-CB 3.43Å; K210-E214 PolarHBondContact O-N 3.38Å
211K94.3Very high92.3Very high104 Ų104113.9 Ų113.945%0.45256%0.555SS.*Hα-helixtrans-66.3-33.9176-73.7167.5-174.4168.20112.5E207 Q208 E209 A215E207-K211 WeakPolarHBondContact O-CG 3.3Å; E207-K211 PolarHBondContact O-N 3.43Å; E207-K211 VanDerWaalsContact OE1-CE 3.25Å; E207-K211 WeakPolarHBondContact OE1-CE 3.3Å; E207-K211 IonicContact OE1-NZ 2.63Å; E207-K211 PolarHBondContact OE1-NZ 3.23Å; Q208-K211 PolarHBondContact O-N 3.08Å; E209-K211 VanDerWaalsContact C-N 3.3Å; E209-K211 PolarHBondContact O-N 2.94Å; K211-A215 VanDerWaalsContact O-CB 3.22Å; K211-A215 WeakPolarHBondContact O-CB 3.46Å; K211-A215 PolarHBondContact O-N 3.42Å
212Q91.8Very high92.7Very high119 Ų119118.4 Ų118.456%0.55656%0.563SS**Hα-helixtrans-70-42.5175.2-75.7176.2-16.300112.2Q208 E209 K210 A215 A216Q208-Q212 WeakPolarHBondContact O-CG 3.43Å; Q208-Q212 PolarHBondContact O-N 3.27Å; E209-Q212 WeakPolarHBondContact O-CB 3.23Å; E209-Q212 PolarHBondContact O-N 3.21Å; E209-Q212 VanDerWaalsContact O-N 3.09Å; K210-Q212 VanDerWaalsContact C-N 3.33Å; K210-Q212 PolarHBondContact O-N 3.13Å; Q212-A215 PolarHBondContact O-N 2.71Å; Q212-A216 WeakPolarHBondContact O-CB 3.4Å; Q212-A216 PolarHBondContact O-N 3.41Å
213T87.3Confident92.9Very high84 Ų84115.8 Ų115.852%0.51556%0.556SS.*Hα-helixtrans-69.7-39.5176.756.30000112.1E209 K210 A215 A216 L217E209-T213 PolarHBondContact O-N 3.28Å; E209-T213 PolarHBondContact O-OG1 2.68Å; K210-T213 PolarHBondContact O-N 2.89Å; K210-T213 PolarHBondContact O-OG1 2.67Å; K210-T213 VanDerWaalsContact O-OG1 3.09Å; T213-A215 PolarHBondContact O-N 3.05Å; T213-A216 PolarHBondContact O-N 2.7Å; T213-L217 WeakPolarHBondContact O-CB 3.09Å; T213-L217 VanDerWaalsContact O-CG 3.31Å; T213-L217 WeakPolarHBondContact O-CG 3.47Å; T213-L217 PolarHBondContact O-N 3.35Å
214E94.5Very high93Very high116 Ų116115.6 Ų115.654%0.54256%0.557SS.*Hα-helixtrans-63.8-38.2174.1-172.5168.9-172.900112.2K210 S218K210-E214 VanDerWaalsContact O-CB 3.24Å; K210-E214 WeakPolarHBondContact O-CB 3.43Å; K210-E214 PolarHBondContact O-N 3.38Å; E214-S218 WeakPolarHBondContact O-CB 3.43Å; E214-S218 PolarHBondContact O-N 3.5Å; E214-S218 PolarHBondContact O-OG 3.07Å
215A94.6Very high93.1Very high59 Ų59112.4 Ų112.449%0.48855%0.547SS..Hα-helixtrans-66.2-45.5172.400000112.4K211 Q212 T213 S218 E219K211-A215 VanDerWaalsContact O-CB 3.22Å; K211-A215 WeakPolarHBondContact O-CB 3.46Å; K211-A215 PolarHBondContact O-N 3.42Å; Q212-A215 PolarHBondContact O-N 2.71Å; T213-A215 PolarHBondContact O-N 3.05Å; A215-S218 WeakPolarHBondContact O-CB 3.47Å; A215-S218 PolarHBondContact O-N 3.29Å; A215-E219 PolarHBondContact O-N 2.88Å
216A94.4Very high93.4Very high59 Ų59112.7 Ų112.749%0.48855%0.548SS..Hα-helixtrans-63.4-41.6178.600000112.4Q212 T213 S218 E219 L220Q212-A216 WeakPolarHBondContact O-CB 3.4Å; Q212-A216 PolarHBondContact O-N 3.41Å; T213-A216 PolarHBondContact O-N 2.7Å; A216-S218 VanDerWaalsContact C-N 3.32Å; A216-S218 PolarHBondContact O-N 2.82Å; A216-E219 PolarHBondContact O-N 2.81Å; A216-L220 WeakPolarHBondContact O-CB 3.23Å; A216-L220 PolarHBondContact O-N 2.88Å
217L93.9Very high93.6Very high117 Ų117108.9 Ų108.961%0.61354%0.539SS*.Hα-helixtrans-62.6-38.7172.8-73.1170.1000111.9T213 R221T213-L217 WeakPolarHBondContact O-CB 3.09Å; T213-L217 VanDerWaalsContact O-CG 3.31Å; T213-L217 WeakPolarHBondContact O-CG 3.47Å; T213-L217 PolarHBondContact O-N 3.35Å; L217-R221 VanDerWaalsContact O-CB 3.31Å; L217-R221 WeakPolarHBondContact O-CB 3.26Å; L217-R221 PolarHBondContact O-N 2.88Å
218S95.4Very high93.6Very high73 Ų73106 Ų10651%0.5153%0.528SS..Hα-helixtrans-67-39176.8-61.20000112.5E214 A215 A216 R222E214-S218 WeakPolarHBondContact O-CB 3.43Å; E214-S218 PolarHBondContact O-N 3.5Å; E214-S218 PolarHBondContact O-OG 3.07Å; A215-S218 WeakPolarHBondContact O-CB 3.47Å; A215-S218 PolarHBondContact O-N 3.29Å; A216-S218 VanDerWaalsContact C-N 3.32Å; A216-S218 PolarHBondContact O-N 2.82Å; S218-R222 PolarHBondContact O-N 3.06Å; S218-R222 VanDerWaalsContact O-N 3.08Å
219E95.7Very high93.7Very high139 Ų139104.6 Ų104.665%0.6553%0.529SS*.Hα-helixtrans-69.6-45.2175.7-177.8160.5-140.900112A215 A216 R221 R222 S223A215-E219 PolarHBondContact O-N 2.88Å; A216-E219 PolarHBondContact O-N 2.81Å; E219-R221 VanDerWaalsContact C-N 3.34Å; E219-R221 PolarHBondContact O-N 3.42Å; E219-R222 PolarHBondContact O-N 2.93Å; E219-R222 VanDerWaalsContact O-N 3.11Å; E219-S223 PolarHBondContact O-N 2.88Å
220L93.4Very high93.9Very high123 Ų123104.8 Ų104.864%0.64453%0.53SS*.Hα-helixtrans-58.2-45.7175.5179.762.2000111.5A216 R222 S223 Y224A216-L220 WeakPolarHBondContact O-CB 3.23Å; A216-L220 PolarHBondContact O-N 2.88Å; L220-R222 VanDerWaalsContact C-N 3.33Å; L220-R222 PolarHBondContact O-N 2.93Å; L220-S223 WeakPolarHBondContact O-CB 3.03Å; L220-S223 PolarHBondContact O-N 3.28Å; L220-Y224 PolarHBondContact O-N 3.44Å
221R94.8Very high93.9Very high177 Ų177102.7 Ų102.767%0.66853%0.525SS*.Hα-helixtrans-58.3-44.7173.9-179.8178.9176.5172.24111.6L217 E219 S223 Y224 D225L217-R221 VanDerWaalsContact O-CB 3.31Å; L217-R221 WeakPolarHBondContact O-CB 3.26Å; L217-R221 PolarHBondContact O-N 2.88Å; E219-R221 VanDerWaalsContact C-N 3.34Å; E219-R221 PolarHBondContact O-N 3.42Å; R221-S223 VanDerWaalsContact C-N 3.3Å; R221-S223 PolarHBondContact O-N 3.24Å; R221-Y224 PolarHBondContact O-N 3.19Å; R221-D225 IonicContact NE-OD2 3.82Å; R221-D225 PolarHBondContact O-N 2.95Å
222R94.6Very high93.8Very high178 Ų178103.5 Ų103.567%0.67253%0.53SS*.Hα-helixtrans-63.9-36.4178.2-158.3-175.678.9153.82.8112.1S218 E219 L220 T226S218-R222 PolarHBondContact O-N 3.06Å; S218-R222 VanDerWaalsContact O-N 3.08Å; E219-R222 PolarHBondContact O-N 2.93Å; E219-R222 VanDerWaalsContact O-N 3.11Å; L220-R222 VanDerWaalsContact C-N 3.33Å; L220-R222 PolarHBondContact O-N 2.93Å; R222-T226 WeakPolarHBondContact O-CG2 3.06Å; R222-T226 PolarHBondContact O-N 3.06Å; R222-T226 PolarHBondContact O-OG1 2.72Å
223S94.3Very high93.8Very high54 Ų54101 Ų10138%0.37853%0.525SS..Hα-helixtrans-62.3-49.2174-161.30000111E219 L220 R221 D225 T226 E227E219-S223 PolarHBondContact O-N 2.88Å; L220-S223 WeakPolarHBondContact O-CB 3.03Å; L220-S223 PolarHBondContact O-N 3.28Å; R221-S223 VanDerWaalsContact C-N 3.3Å; R221-S223 PolarHBondContact O-N 3.24Å; S223-D225 PolarHBondContact O-N 2.64Å; S223-T226 WeakPolarHBondContact CA-OG1 3.48Å; S223-T226 PolarHBondContact O-N 2.96Å; S223-T226 VanDerWaalsContact O-N 3.15Å; S223-T226 PolarHBondContact O-OG1 3.47Å; S223-E227 PolarHBondContact O-N 3.14Å
224Y93.7Very high94Very high153 Ų153102.2 Ų102.260%0.652%0.523SS*.Hα-helixtrans-57-48.2175.9178.9-95.4000112.2L220 R221 T226 E227 V228L220-Y224 PolarHBondContact O-N 3.44Å; R221-Y224 PolarHBondContact O-N 3.19Å; Y224-T226 VanDerWaalsContact C-N 3.29Å; Y224-T226 PolarHBondContact O-N 2.56Å; Y224-E227 PolarHBondContact O-N 2.91Å; Y224-E227 VanDerWaalsContact O-N 3.17Å; Y224-V228 HydrophobicContact CD1-CG2 4.16Å; Y224-V228 HydrophobicContact CE1-CG2 3.75Å; Y224-V228 HydrophobicContact CE2-CG2 4.29Å; Y224-V228 WeakPolarHBondContact O-CG2 3.11Å; Y224-V228 PolarHBondContact O-N 2.93Å
225D94.8Very high93.8Very high76 Ų76100.8 Ų100.841%0.40652%0.518SS..Hα-helixtrans-59.2-39.1177.2-70.3-26.4000111.4R221 S223 C229R221-D225 IonicContact NE-OD2 3.82Å; R221-D225 PolarHBondContact O-N 2.95Å; S223-D225 PolarHBondContact O-N 2.64Å; D225-C229 PolarHBondContact O-N 2.97Å; D225-C229 VanDerWaalsContact O-N 3.08Å; D225-C229 PolarHBondContact O-SG 3.43Å
226T94.8Very high93.7Very high79 Ų79103.5 Ų103.549%0.48552%0.521SS..Hα-helixtrans-68.9-37.7174.952.30000114R222 S223 Y224 C229 E230R222-T226 WeakPolarHBondContact O-CG2 3.06Å; R222-T226 PolarHBondContact O-N 3.06Å; R222-T226 PolarHBondContact O-OG1 2.72Å; S223-T226 WeakPolarHBondContact CA-OG1 3.48Å; S223-T226 PolarHBondContact O-N 2.96Å; S223-T226 VanDerWaalsContact O-N 3.15Å; S223-T226 PolarHBondContact O-OG1 3.47Å; Y224-T226 VanDerWaalsContact C-N 3.29Å; Y224-T226 PolarHBondContact O-N 2.56Å; T226-C229 PolarHBondContact O-N 3.41Å; T226-E230 PolarHBondContact O-N 3.45Å
227E95.9Very high93.5Very high117 Ų117109.3 Ų109.355%0.54753%0.531SS..Hα-helixtrans-65.8-40.4175.1-73.4-173.7-157.900111.7S223 Y224 C229 E230 L231S223-E227 PolarHBondContact O-N 3.14Å; Y224-E227 PolarHBondContact O-N 2.91Å; Y224-E227 VanDerWaalsContact O-N 3.17Å; E227-C229 PolarHBondContact O-N 3.36Å; E227-E230 PolarHBondContact O-N 3.48Å; E227-L231 WeakPolarHBondContact O-CB 3.35Å; E227-L231 VanDerWaalsContact O-CG 3.3Å; E227-L231 WeakPolarHBondContact O-CG 3.3Å; E227-L231 PolarHBondContact O-N 2.94Å
228V93.6Very high92.8Very high47 Ų47109.1 Ų109.129%0.28553%0.528SS..Hα-helixtrans-60.6-44.5174171.20000110.9Y224 L231 Q232Y224-V228 HydrophobicContact CD1-CG2 4.16Å; Y224-V228 HydrophobicContact CE1-CG2 3.75Å; Y224-V228 HydrophobicContact CE2-CG2 4.29Å; Y224-V228 WeakPolarHBondContact O-CG2 3.11Å; Y224-V228 PolarHBondContact O-N 2.93Å; V228-L231 PolarHBondContact O-N 2.91Å; V228-Q232 WeakPolarHBondContact O-CG 3.42Å; V228-Q232 PolarHBondContact O-N 3.08Å
229C94.6Very high92.5Very high72 Ų72110.6 Ų110.649%0.48653%0.526SS..Hα-helixtrans-61.5-43.1174-73.20000112.6D225 T226 E227 L231 Q232 C233D225-C229 PolarHBondContact O-N 2.97Å; D225-C229 VanDerWaalsContact O-N 3.08Å; D225-C229 PolarHBondContact O-SG 3.43Å; T226-C229 PolarHBondContact O-N 3.41Å; E227-C229 PolarHBondContact O-N 3.36Å; C229-L231 PolarHBondContact O-N 2.74Å; C229-Q232 PolarHBondContact O-N 3.22Å; C229-C233 PolarHBondContact O-N 3.1Å; C229-C233 PolarHBondContact O-SG 3.33Å
230E93.6Very high91.9Very high115 Ų115108.9 Ų108.954%0.53752%0.52SS..Hα-helixtrans-60.6-42.9174.8-85.9-150.8-174.900112.6T226 E227 C233 K234T226-E230 PolarHBondContact O-N 3.45Å; E227-E230 PolarHBondContact O-N 3.48Å; E230-C233 PolarHBondContact O-N 3.01Å; E230-K234 WeakPolarHBondContact O-CD 3.39Å; E230-K234 VanDerWaalsContact O-CG 3.22Å; E230-K234 WeakPolarHBondContact O-CG 3.39Å; E230-K234 PolarHBondContact O-N 2.97Å; E230-K234 VanDerWaalsContact OE2-CE 3.31Å; E230-K234 WeakPolarHBondContact OE2-CE 3.33Å; E230-K234 IonicContact OE2-NZ 2.65Å; E230-K234 PolarHBondContact OE2-NZ 2.73Å
231L91.8Very high91.4Very high96 Ų96107.4 Ų107.450%0.50351%0.511SS..Hα-helixtrans-64-42.2178.1-71.5169.6000111.4E227 V228 C229 C233 K234 I235E227-L231 WeakPolarHBondContact O-CB 3.35Å; E227-L231 VanDerWaalsContact O-CG 3.3Å; E227-L231 WeakPolarHBondContact O-CG 3.3Å; E227-L231 PolarHBondContact O-N 2.94Å; V228-L231 PolarHBondContact O-N 2.91Å; C229-L231 PolarHBondContact O-N 2.74Å; L231-C233 PolarHBondContact O-N 3.17Å; L231-K234 HydrophobicContact CD2-CD 4.43Å; L231-K234 PolarHBondContact O-N 3.27Å; L231-I235 VanDerWaalsContact O-CG1 3.29Å; L231-I235 WeakPolarHBondContact O-CG1 3.44Å; L231-I235 PolarHBondContact O-N 3.05Å
232Q92.4Very high90.6Very high121 Ų121103.5 Ų103.557%0.56550%0.501SS*.Hα-helixtrans-59.2-45.3172.5-72.3178.4100112V228 C229 K234 I235 Q236V228-Q232 WeakPolarHBondContact O-CG 3.42Å; V228-Q232 PolarHBondContact O-N 3.08Å; C229-Q232 PolarHBondContact O-N 3.22Å; Q232-K234 VanDerWaalsContact C-N 3.33Å; Q232-K234 PolarHBondContact O-N 2.94Å; Q232-I235 PolarHBondContact O-N 3.25Å; Q232-Q236 WeakPolarHBondContact O-CB 3.48Å; Q232-Q236 PolarHBondContact O-N 3.11Å
233C92Very high89.9Confident67 Ų67100.9 Ų100.945%0.45350%0.496SS..Hα-helixtrans-62.7-36.5175.2-71.50000113.1C229 E230 L231 R237C229-C233 PolarHBondContact O-N 3.1Å; C229-C233 PolarHBondContact O-SG 3.33Å; E230-C233 PolarHBondContact O-N 3.01Å; L231-C233 PolarHBondContact O-N 3.17Å; C233-R237 WeakPolarHBondContact O-CG 3.47Å; C233-R237 PolarHBondContact O-N 2.98Å; C233-R237 VanDerWaalsContact O-N 3.14Å
234K90.5Very high89Confident108 Ų108104.7 Ų104.747%0.4751%0.506SS..Hα-helixtrans-66.5-45.2175.6-69.9158.5-167.9166.70111E230 L231 Q232 R237 M238E230-K234 WeakPolarHBondContact O-CD 3.39Å; E230-K234 VanDerWaalsContact O-CG 3.22Å; E230-K234 WeakPolarHBondContact O-CG 3.39Å; E230-K234 PolarHBondContact O-N 2.97Å; E230-K234 VanDerWaalsContact OE2-CE 3.31Å; E230-K234 WeakPolarHBondContact OE2-CE 3.33Å; E230-K234 IonicContact OE2-NZ 2.65Å; E230-K234 PolarHBondContact OE2-NZ 2.73Å; L231-K234 HydrophobicContact CD2-CD 4.43Å; L231-K234 PolarHBondContact O-N 3.27Å; Q232-K234 VanDerWaalsContact C-N 3.33Å; Q232-K234 PolarHBondContact O-N 2.94Å; K234-R237 PolarHBondContact O-N 3.3Å; K234-M238 PolarHBondContact O-N 3.31Å
235I91Very high87.6Confident86 Ų86101.6 Ų101.644%0.44149%0.494SS..Hα-helixtrans-60.5-46.3175.4-68.4163.1000111.1L231 Q232 R237 M238 Q239L231-I235 VanDerWaalsContact O-CG1 3.29Å; L231-I235 WeakPolarHBondContact O-CG1 3.44Å; L231-I235 PolarHBondContact O-N 3.05Å; Q232-I235 PolarHBondContact O-N 3.25Å; I235-R237 VanDerWaalsContact C-N 3.34Å; I235-R237 PolarHBondContact O-N 3.37Å; I235-M238 WeakPolarHBondContact O-CB 3.41Å; I235-M238 PolarHBondContact O-N 3.2Å; I235-M238 VanDerWaalsContact O-N 3.13Å; I235-Q239 WeakPolarHBondContact O-CG 3.5Å; I235-Q239 PolarHBondContact O-N 3.21Å
236Q91.5Very high86.4Confident116 Ų116104 Ų10454%0.54250%0.501SS..Hα-helixtrans-63.2-38.7-179.5-164.9-176.740.300112.3Q232 Q239 M240Q232-Q236 WeakPolarHBondContact O-CB 3.48Å; Q232-Q236 PolarHBondContact O-N 3.11Å; Q236-Q239 PolarHBondContact O-N 3.22Å; Q236-M240 PolarHBondContact O-N 3.43Å; Q236-M240 VanDerWaalsContact O-N 3.1Å
237R92.1Very high84.9Confident182 Ų182106.6 Ų106.669%0.68751%0.512SS*.Hα-helixtrans-62.9-42.7172.1-73.7178-174175.45.1112C233 K234 I235 M240 I241C233-R237 WeakPolarHBondContact O-CG 3.47Å; C233-R237 PolarHBondContact O-N 2.98Å; C233-R237 VanDerWaalsContact O-N 3.14Å; K234-R237 PolarHBondContact O-N 3.3Å; I235-R237 VanDerWaalsContact C-N 3.34Å; I235-R237 PolarHBondContact O-N 3.37Å; R237-M240 PolarHBondContact O-N 3.09Å; R237-I241 WeakPolarHBondContact O-CG1 3.47Å; R237-I241 PolarHBondContact O-N 3.46Å
238M78.3Confident83.2Confident112 Ų112106 Ų10655%0.55251%0.511SS*.Hα-helixtrans-61.4-44.6177.8-171.617476.100111.6K234 I235 M240 I241 E242K234-M238 PolarHBondContact O-N 3.31Å; I235-M238 WeakPolarHBondContact O-CB 3.41Å; I235-M238 PolarHBondContact O-N 3.2Å; I235-M238 VanDerWaalsContact O-N 3.13Å; M238-M240 PolarHBondContact O-N 3.01Å; M238-I241 WeakPolarHBondContact O-CB 3.38Å; M238-I241 PolarHBondContact O-N 2.83Å; M238-E242 PolarHBondContact O-N 3.21Å
239Q88.2Confident81.1Confident104 Ų104109.1 Ų109.149%0.48653%0.53SS..Hα-helixtrans-60.3-41174.6-70.1173.1-11.800112.6I235 Q236 I241 E242 Q243I235-Q239 WeakPolarHBondContact O-CG 3.5Å; I235-Q239 PolarHBondContact O-N 3.21Å; Q236-Q239 PolarHBondContact O-N 3.22Å; Q239-I241 VanDerWaalsContact C-N 3.29Å; Q239-I241 PolarHBondContact O-N 3.02Å; Q239-E242 PolarHBondContact O-N 3.03Å; Q239-Q243 WeakPolarHBondContact O-CG 3.47Å; Q239-Q243 PolarHBondContact O-N 3.4Å
240M84.1Confident79.2Confident104 Ų104111.1 Ų111.151%0.51254%0.54SS..Hα-helixtrans-65.2-30.7173.7-72.8-164.5-175.600113.1Q236 R237 M238 K244Q236-M240 PolarHBondContact O-N 3.43Å; Q236-M240 VanDerWaalsContact O-N 3.1Å; R237-M240 PolarHBondContact O-N 3.09Å; M238-M240 PolarHBondContact O-N 3.01Å; M240-K244 VanDerWaalsContact O-CG 3.29Å; M240-K244 WeakPolarHBondContact O-CG 3.46Å; M240-K244 PolarHBondContact O-N 2.97Å
241I82.1Confident77.2Confident91 Ų91114.6 Ų114.647%0.46755%0.553SS.*Hα-helixtrans-71.5-43.2174.7-69.4165000110.3R237 M238 Q239 Q243 K244 Y245R237-I241 WeakPolarHBondContact O-CG1 3.47Å; R237-I241 PolarHBondContact O-N 3.46Å; M238-I241 WeakPolarHBondContact O-CB 3.38Å; M238-I241 PolarHBondContact O-N 2.83Å; Q239-I241 VanDerWaalsContact C-N 3.29Å; Q239-I241 PolarHBondContact O-N 3.02Å; I241-Q243 PolarHBondContact O-N 2.85Å; I241-K244 PolarHBondContact O-N 3.34Å; I241-Y245 HydrophobicContact CG2-CD2 3.78Å; I241-Y245 HydrophobicContact CG2-CE2 3.66Å; I241-Y245 WeakPolarHBondContact O-CD2 3.32Å; I241-Y245 PolarHBondContact O-N 3.34Å
242E78.1Confident75.4Confident95 Ų95116.6 Ų116.644%0.44457%0.565SS.*Hα-helixtrans-59.3-44173.7-71.2-162.1170.600113.1M238 Q239 K244 Y245 K246M238-E242 PolarHBondContact O-N 3.21Å; Q239-E242 PolarHBondContact O-N 3.03Å; E242-K244 VanDerWaalsContact C-N 3.3Å; E242-K244 PolarHBondContact O-N 2.86Å; E242-Y245 PolarHBondContact O-N 3.26Å; E242-K246 WeakPolarHBondContact O-CG 3.47Å; E242-K246 PolarHBondContact O-N 3.01Å; E242-K246 IonicContact OE2-NZ 2.7Å; E242-K246 PolarHBondContact OE2-NZ 3.37Å
243Q81.3Confident73.5Confident124 Ų124117.1 Ų117.158%0.57957%0.567SS**Hα-helixtrans-61.7-39.9177.6-73.4-177.91.800111.3Q239 I241 K246 N247Q239-Q243 WeakPolarHBondContact O-CG 3.47Å; Q239-Q243 PolarHBondContact O-N 3.4Å; I241-Q243 PolarHBondContact O-N 2.85Å; Q243-K246 PolarHBondContact O-N 3.07Å; Q243-N247 VanDerWaalsContact O-CG 3.24Å; Q243-N247 PolarHBondContact O-N 2.69Å; Q243-N247 VanDerWaalsContact O-N 3.09Å; Q243-N247 PolarHBondContact O-OD1 3.09Å
244K75.1Confident72.1Confident134 Ų134118 Ų11858%0.58357%0.574SS**Hα-helixtrans-62.4-42.7173-72.8169.3-176.3178.60111.8M240 I241 E242 N247 I248M240-K244 VanDerWaalsContact O-CG 3.29Å; M240-K244 WeakPolarHBondContact O-CG 3.46Å; M240-K244 PolarHBondContact O-N 2.97Å; I241-K244 PolarHBondContact O-N 3.34Å; E242-K244 VanDerWaalsContact C-N 3.3Å; E242-K244 PolarHBondContact O-N 2.86Å; K244-N247 PolarHBondContact O-N 3.32Å; K244-I248 WeakPolarHBondContact O-CD1 3.31Å; K244-I248 VanDerWaalsContact O-CG1 3.28Å; K244-I248 WeakPolarHBondContact O-CG1 3.49Å; K244-I248 PolarHBondContact O-N 3.49Å
245Y63.8Low70.8Confident88 Ų88117.7 Ų117.735%0.34558%0.583SS.*Hα-helixtrans-63.6-41.3175.7-85.8-62.8000113.3I241 E242 N247 I248 L264I241-Y245 HydrophobicContact CG2-CD2 3.78Å; I241-Y245 HydrophobicContact CG2-CE2 3.66Å; I241-Y245 WeakPolarHBondContact O-CD2 3.32Å; I241-Y245 PolarHBondContact O-N 3.34Å; E242-Y245 PolarHBondContact O-N 3.26Å; Y245-N247 VanDerWaalsContact C-N 3.28Å; Y245-N247 PolarHBondContact O-N 2.8Å; Y245-I248 PolarHBondContact O-N 3.05Å; Y245-L264 HydrophobicContact CE1-CD1 3.69Å; Y245-L264 HydrophobicContact CE2-CD2 4.3Å
246K70.7Confident69.5Low126 Ų126115.4 Ų115.455%0.54858%0.577SS.*Hα-helixtrans-59.1-40.1174.5-72.5160.2-179.4159.10111.2E242 Q243 I248 T249E242-K246 WeakPolarHBondContact O-CG 3.47Å; E242-K246 PolarHBondContact O-N 3.01Å; E242-K246 IonicContact OE2-NZ 2.7Å; E242-K246 PolarHBondContact OE2-NZ 3.37Å; Q243-K246 PolarHBondContact O-N 3.07Å; K246-I248 PolarHBondContact O-N 2.91Å; K246-T249 WeakPolarHBondContact O-CG2 3.11Å; K246-T249 PolarHBondContact O-OG1 3.09Å
247N62.4Low68.2Low133 Ų133113.8 Ų113.871%0.71157%0.572SS**Hα-helixtrans-74.7-17.4179.7-66.6-7.2000115.1Q243 K244 Y245 T249Q243-N247 VanDerWaalsContact O-CG 3.24Å; Q243-N247 PolarHBondContact O-N 2.69Å; Q243-N247 VanDerWaalsContact O-N 3.09Å; Q243-N247 PolarHBondContact O-OD1 3.09Å; K244-N247 PolarHBondContact O-N 3.32Å; Y245-N247 VanDerWaalsContact C-N 3.28Å; Y245-N247 PolarHBondContact O-N 2.8Å; N247-T249 PolarHBondContact O-N 3.28Å
248I60.8Low67.1Low105 Ų105112 Ų11254%0.53857%0.569SS.*THydrogen-bonded Turntrans-80.1-3.1179.4-73.7163.2000112.3K244 Y245 K246 V250K244-I248 WeakPolarHBondContact O-CD1 3.31Å; K244-I248 VanDerWaalsContact O-CG1 3.28Å; K244-I248 WeakPolarHBondContact O-CG1 3.49Å; K244-I248 PolarHBondContact O-N 3.49Å; Y245-I248 PolarHBondContact O-N 3.05Å; K246-I248 PolarHBondContact O-N 2.91Å; I248-V250 PolarHBondContact O-N 2.95Å
249T49.6Very low67.1Low112 Ų112114 Ų11469%0.68758%0.575SS**  trans-72.44.2-173.254.70000116.1K246 N247K246-T249 WeakPolarHBondContact O-CG2 3.11Å; K246-T249 PolarHBondContact O-OG1 3.09Å; N247-T249 PolarHBondContact O-N 3.28Å
250V54.3Low66.7Low114 Ų114113.2 Ų113.269%0.69157%0.57SS**SBendtrans-133.9104.5-177.1-167.80000112.6I248I248-V250 PolarHBondContact O-N 2.95Å
251K50.8Low66.3Low188 Ų188112.9 Ų112.982%0.81757%0.569SS**SBendtrans101.8122.2171.7-63.2176-177.4179.50117.8
252D53.8Low65.9Low139 Ų139113.9 Ų113.974%0.74358%0.575SS**  trans67.6172.4156.9-73.1-58.7000120.7L257D252-L257 WeakPolarHBondContact O-CD1 3.38Å
253E53.7Low66.2Low132 Ų132114.3 Ų114.362%0.61758%0.577SS**  trans67.849176.3-47.7-159.7155.100119P255 A256 L257E253-P255 VanDerWaalsContact C-N 3.29Å; E253-A256 HydrophobicContact CB-CB 3.7Å; E253-A256 HydrophobicContact CG-CB 4.48Å; E253-A256 PolarHBondContact O-N 3.45Å; E253-A256 WeakPolarHBondContact OE2-CB 3.38Å; E253-L257 WeakPolarHBondContact O-CB 3.48Å; E253-L257 WeakPolarHBondContact O-CG 3.37Å; E253-L257 PolarHBondContact O-N 2.62Å
254S62.1Low66.2Low86 Ų86110.2 Ų110.260%0.60156%0.559SS**Hα-helixtrans-37.4-44.1165.7-179.40000116.3K258S254-K258 PolarHBondContact O-N 3.5Å
255P63.3Low66.5Low100 Ų100107.2 Ų107.265%0.64955%0.552SS**Hα-helixtrans-77.9-33.517630.4-35.5000114.5E253 K258 K259E253-P255 VanDerWaalsContact C-N 3.29Å; P255-K258 PolarHBondContact O-N 3.06Å; P255-K259 PolarHBondContact O-N 2.94Å
256A63.1Low67.7Low39 Ų39108.7 Ų108.732%0.32257%0.565SS.*Hα-helixtrans-74.8-38.9178.100000110.8E253 K258 K259 K260E253-A256 HydrophobicContact CB-CB 3.7Å; E253-A256 HydrophobicContact CG-CB 4.48Å; E253-A256 PolarHBondContact O-N 3.45Å; E253-A256 WeakPolarHBondContact OE2-CB 3.38Å; A256-K258 VanDerWaalsContact C-N 3.28Å; A256-K258 PolarHBondContact O-N 3.49Å; A256-K259 CarbonylContact O-C 3.56Å; A256-K259 WeakPolarHBondContact O-CB 3.38Å; A256-K259 PolarHBondContact O-N 2.98Å; A256-K259 VanDerWaalsContact O-N 3.08Å; A256-K260 WeakPolarHBondContact O-CB 3.26Å; A256-K260 PolarHBondContact O-N 2.91Å
257L64.5Low68.5Low81 Ų81107.8 Ų107.842%0.42456%0.563SS.*Hα-helixtrans-54.4-42.7168.7-72.6170.2000111.3D252 E253 K260 I261D252-L257 WeakPolarHBondContact O-CD1 3.38Å; E253-L257 WeakPolarHBondContact O-CB 3.48Å; E253-L257 WeakPolarHBondContact O-CG 3.37Å; E253-L257 PolarHBondContact O-N 2.62Å; L257-K260 PolarHBondContact O-N 3.49Å; L257-I261 WeakPolarHBondContact O-CB 3.35Å; L257-I261 WeakPolarHBondContact O-CD1 3.27Å; L257-I261 WeakPolarHBondContact O-CG1 3.14Å; L257-I261 PolarHBondContact O-N 2.94Å
258K69.1Low69.4Low144 Ų144105.6 Ų105.663%0.62655%0.551SS**Hα-helixtrans-62.7-41.6173.7-79.7-177.6176.9-177.60113.2S254 P255 A256 N262S254-K258 PolarHBondContact O-N 3.5Å; P255-K258 PolarHBondContact O-N 3.06Å; A256-K258 VanDerWaalsContact C-N 3.28Å; A256-K258 PolarHBondContact O-N 3.49Å; K258-N262 VanDerWaalsContact O-CG 3.29Å; K258-N262 PolarHBondContact O-N 3.31Å; K258-N262 VanDerWaalsContact O-N 3.08Å; K258-N262 PolarHBondContact O-OD1 3.06Å
259K78.2Confident70.6Confident155 Ų155106.3 Ų106.367%0.67455%0.552SS**Hα-helixtrans-62.4-44.4171.2-84.3-167.6172.3-172.50111.7P255 A256 I261 N262 E263P255-K259 PolarHBondContact O-N 2.94Å; A256-K259 CarbonylContact O-C 3.56Å; A256-K259 WeakPolarHBondContact O-CB 3.38Å; A256-K259 PolarHBondContact O-N 2.98Å; A256-K259 VanDerWaalsContact O-N 3.08Å; K259-I261 PolarHBondContact O-N 3.32Å; K259-N262 PolarHBondContact O-N 3.22Å; K259-N262 VanDerWaalsContact O-N 3.15Å; K259-E263 WeakPolarHBondContact O-CG 3.43Å; K259-E263 PolarHBondContact O-N 3Å
260K80.4Confident72.4Confident88 Ų88106.7 Ų106.738%0.38354%0.544SS..Hα-helixtrans-65.1-39.4-178.9-152.774.5-152.1154.10112.1A256 L257 E263 L264A256-K260 WeakPolarHBondContact O-CB 3.26Å; A256-K260 PolarHBondContact O-N 2.91Å; L257-K260 PolarHBondContact O-N 3.49Å; K260-E263 WeakPolarHBondContact CE-OE2 3.5Å; K260-E263 IonicContact NZ-OE2 3.98Å; K260-E263 PolarHBondContact NZ-OE2 3.3Å; K260-E263 PolarHBondContact O-N 3.43Å; K260-L264 HydrophobicContact CG-CD1 4Å; K260-L264 VanDerWaalsContact O-CB 3.23Å; K260-L264 WeakPolarHBondContact O-CB 3.22Å; K260-L264 WeakPolarHBondContact O-CD1 3.36Å; K260-L264 WeakPolarHBondContact O-CG 3.42Å; K260-L264 PolarHBondContact O-N 2.73Å
261I76.1Confident73.9Confident97 Ų97105.7 Ų105.750%0.49754%0.535SS..Hα-helixtrans-63.7-40.3172.6-71162.7000110.7L257 K259 L264 T265L257-I261 WeakPolarHBondContact O-CB 3.35Å; L257-I261 WeakPolarHBondContact O-CD1 3.27Å; L257-I261 WeakPolarHBondContact O-CG1 3.14Å; L257-I261 PolarHBondContact O-N 2.94Å; K259-I261 PolarHBondContact O-N 3.32Å; I261-L264 PolarHBondContact O-N 2.88Å; I261-T265 HydrophobicContact CG2-CG2 4.49Å; I261-T265 WeakPolarHBondContact O-CB 3.31Å; I261-T265 WeakPolarHBondContact O-CG2 3.01Å; I261-T265 PolarHBondContact O-N 3.43Å; I261-T265 PolarHBondContact O-OG1 3.47Å
262N73Confident75.6Confident111 Ų111103.1 Ų103.159%0.59452%0.524SS*.Hα-helixtrans-69.3-40176.7-71.65.8000112.3K258 K259 T265 L266K258-N262 VanDerWaalsContact O-CG 3.29Å; K258-N262 PolarHBondContact O-N 3.31Å; K258-N262 VanDerWaalsContact O-N 3.08Å; K258-N262 PolarHBondContact O-OD1 3.06Å; K259-N262 PolarHBondContact O-N 3.22Å; K259-N262 VanDerWaalsContact O-N 3.15Å; N262-T265 WeakPolarHBondContact CA-OG1 3.4Å; N262-T265 PolarHBondContact O-OG1 3.35Å; N262-L266 WeakPolarHBondContact O-CB 3.37Å; N262-L266 PolarHBondContact O-N 3.16Å; N262-L266 VanDerWaalsContact O-N 3.13Å
263E84.2Confident77.2Confident104 Ų104102.4 Ų102.449%0.48652%0.516SS..Hα-helixtrans-61.1-49.3171.1-73.5175.7170.600111K259 K260 T265 L266 E267K259-E263 WeakPolarHBondContact O-CG 3.43Å; K259-E263 PolarHBondContact O-N 3Å; K260-E263 WeakPolarHBondContact CE-OE2 3.5Å; K260-E263 IonicContact NZ-OE2 3.98Å; K260-E263 PolarHBondContact NZ-OE2 3.3Å; K260-E263 PolarHBondContact O-N 3.43Å; E263-T265 VanDerWaalsContact C-N 3.35Å; E263-T265 PolarHBondContact O-N 3.12Å; E263-L266 WeakPolarHBondContact O-CB 3.41Å; E263-L266 PolarHBondContact O-N 2.93Å; E263-E267 WeakPolarHBondContact O-CB 3.39Å; E263-E267 PolarHBondContact O-N 2.91Å
264L81.1Confident78.9Confident39 Ų39100.1 Ų100.120%0.20451%0.505CS..Hα-helixtrans-70-27.1-177.4-74.4165000113.7Y245 K260 I261 N268Y245-L264 HydrophobicContact CE1-CD1 3.69Å; Y245-L264 HydrophobicContact CE2-CD2 4.3Å; K260-L264 HydrophobicContact CG-CD1 4Å; K260-L264 VanDerWaalsContact O-CB 3.23Å; K260-L264 WeakPolarHBondContact O-CB 3.22Å; K260-L264 WeakPolarHBondContact O-CD1 3.36Å; K260-L264 WeakPolarHBondContact O-CG 3.42Å; K260-L264 PolarHBondContact O-N 2.73Å; I261-L264 PolarHBondContact O-N 2.88Å; L264-N268 VanDerWaalsContact O-CB 3.26Å; L264-N268 WeakPolarHBondContact O-CB 3.45Å; L264-N268 PolarHBondContact O-N 3.01Å; L264-N268 PolarHBondContact O-ND2 3.04Å
265T81.4Confident80.2Confident71 Ų71101.2 Ų101.244%0.43650%0.503SS..Hα-helixtrans-76.7-36.1172.645.40000111.7I261 N262 E263 N268 Q269I261-T265 HydrophobicContact CG2-CG2 4.49Å; I261-T265 WeakPolarHBondContact O-CB 3.31Å; I261-T265 WeakPolarHBondContact O-CG2 3.01Å; I261-T265 PolarHBondContact O-N 3.43Å; I261-T265 PolarHBondContact O-OG1 3.47Å; N262-T265 WeakPolarHBondContact CA-OG1 3.4Å; N262-T265 PolarHBondContact O-OG1 3.35Å; E263-T265 VanDerWaalsContact C-N 3.35Å; E263-T265 PolarHBondContact O-N 3.12Å; T265-N268 PolarHBondContact O-N 2.89Å; T265-Q269 WeakPolarHBondContact O-CG 3.27Å; T265-Q269 PolarHBondContact O-N 3.03Å
266L88.3Confident81.5Confident118 Ų118101.5 Ų101.562%0.61850%0.499SS*.Hα-helixtrans-64.7-43.4169.3-168.476.9000111.4N262 E263 Q269 K270N262-L266 WeakPolarHBondContact O-CB 3.37Å; N262-L266 PolarHBondContact O-N 3.16Å; N262-L266 VanDerWaalsContact O-N 3.13Å; E263-L266 WeakPolarHBondContact O-CB 3.41Å; E263-L266 PolarHBondContact O-N 2.93Å; L266-Q269 PolarHBondContact O-N 3.13Å; L266-K270 PolarHBondContact O-N 2.89Å
267E87.9Confident82.7Confident107 Ų107106.5 Ų106.550%0.551%0.513SS..Hα-helixtrans-64-42175.7-169.9167.3-145.100111.2E263 Q269 K270 L271E263-E267 WeakPolarHBondContact O-CB 3.39Å; E263-E267 PolarHBondContact O-N 2.91Å; E267-Q269 VanDerWaalsContact C-N 3.35Å; E267-Q269 PolarHBondContact O-N 3.35Å; E267-K270 PolarHBondContact O-N 3.47Å; E267-L271 HydrophobicContact CG-CD1 4.18Å; E267-L271 WeakPolarHBondContact O-CB 3.44Å; E267-L271 VanDerWaalsContact O-CG 3.29Å; E267-L271 WeakPolarHBondContact O-CG 3.45Å; E267-L271 PolarHBondContact O-N 3.21Å
268N80.9Confident83.7Confident87 Ų87105.5 Ų105.547%0.46551%0.514SS..Hα-helixtrans-62.1-37.8171.4-94.3-96.9000113L264 T265 K272L264-N268 VanDerWaalsContact O-CB 3.26Å; L264-N268 WeakPolarHBondContact O-CB 3.45Å; L264-N268 PolarHBondContact O-N 3.01Å; L264-N268 PolarHBondContact O-ND2 3.04Å; T265-N268 PolarHBondContact O-N 2.89Å; N268-K272 WeakPolarHBondContact O-CB 3.33Å; N268-K272 VanDerWaalsContact O-CG 3.27Å; N268-K272 WeakPolarHBondContact O-CG 3.39Å; N268-K272 PolarHBondContact O-N 3.38Å
269Q85.8Confident84.7Confident121 Ų121104.7 Ų104.757%0.56551%0.512SS*.Hα-helixtrans-65.8-41.9174.5-76.5176.30.300111.4T265 L266 E267 K272 Q273T265-Q269 WeakPolarHBondContact O-CG 3.27Å; T265-Q269 PolarHBondContact O-N 3.03Å; L266-Q269 PolarHBondContact O-N 3.13Å; E267-Q269 VanDerWaalsContact C-N 3.35Å; E267-Q269 PolarHBondContact O-N 3.35Å; Q269-K272 PolarHBondContact O-N 3.28Å; Q269-Q273 PolarHBondContact O-N 2.94Å
270K87.6Confident85.4Confident119 Ų119101.8 Ų101.852%0.51751%0.507SS..Hα-helixtrans-63.7-47.4175-173.8174.7-177.3-79.40111.8L266 E267 K272 Q273 E274L266-K270 PolarHBondContact O-N 2.89Å; E267-K270 PolarHBondContact O-N 3.47Å; K270-K272 VanDerWaalsContact C-N 3.3Å; K270-K272 PolarHBondContact O-N 3.5Å; K270-Q273 WeakPolarHBondContact O-CB 3.48Å; K270-Q273 PolarHBondContact O-N 3.35Å; K270-Q273 VanDerWaalsContact O-N 3.09Å; K270-E274 WeakPolarHBondContact CE-OE1 3.5Å; K270-E274 IonicContact NZ-OE1 3.63Å; K270-E274 PolarHBondContact NZ-OE1 3.16Å; K270-E274 IonicContact NZ-OE2 2.69Å; K270-E274 PolarHBondContact O-N 3.02Å
271L86.3Confident85.9Confident93 Ų93104.2 Ų104.249%0.48752%0.518SS..Hα-helixtrans-61.7-35.7175.9-71.4170000112.1E267 E274 L275E267-L271 HydrophobicContact CG-CD1 4.18Å; E267-L271 WeakPolarHBondContact O-CB 3.44Å; E267-L271 VanDerWaalsContact O-CG 3.29Å; E267-L271 WeakPolarHBondContact O-CG 3.45Å; E267-L271 PolarHBondContact O-N 3.21Å; L271-E274 PolarHBondContact O-N 3.38Å; L271-L275 VanDerWaalsContact O-CB 3.24Å; L271-L275 WeakPolarHBondContact O-CB 3.43Å; L271-L275 PolarHBondContact O-N 3.44Å
272K86Confident86.6Confident135 Ų135103.3 Ų103.359%0.58752%0.516SS*.Hα-helixtrans-67.1-36.6172-78.2177.3178.3-173.30113.1N268 Q269 K270 L276N268-K272 WeakPolarHBondContact O-CB 3.33Å; N268-K272 VanDerWaalsContact O-CG 3.27Å; N268-K272 WeakPolarHBondContact O-CG 3.39Å; N268-K272 PolarHBondContact O-N 3.38Å; Q269-K272 PolarHBondContact O-N 3.28Å; K270-K272 VanDerWaalsContact C-N 3.3Å; K270-K272 PolarHBondContact O-N 3.5Å; K272-L276 WeakPolarHBondContact O-CB 3.46Å; K272-L276 PolarHBondContact O-N 2.92Å
273Q87.9Confident87.4Confident124 Ų124100.6 Ų100.658%0.57951%0.509SS*.Hα-helixtrans-69-37.8172.5-72.1-176.50.400112.3Q269 K270 K277Q269-Q273 PolarHBondContact O-N 2.94Å; K270-Q273 WeakPolarHBondContact O-CB 3.48Å; K270-Q273 PolarHBondContact O-N 3.35Å; K270-Q273 VanDerWaalsContact O-N 3.09Å; Q273-K277 VanDerWaalsContact O-CG 3.28Å; Q273-K277 WeakPolarHBondContact O-CG 3.27Å; Q273-K277 PolarHBondContact O-N 3.27Å
274E90.6Very high87.7Confident83 Ų8398.9 Ų98.939%0.38851%0.508SS..Hα-helixtrans-69.7-38.5176.2-73.5171.4-17500111.6K270 L271 K277 S278K270-E274 WeakPolarHBondContact CE-OE1 3.5Å; K270-E274 IonicContact NZ-OE1 3.63Å; K270-E274 PolarHBondContact NZ-OE1 3.16Å; K270-E274 IonicContact NZ-OE2 2.69Å; K270-E274 PolarHBondContact O-N 3.02Å; L271-E274 PolarHBondContact O-N 3.38Å; E274-K277 PolarHBondContact O-N 3.41Å; E274-S278 PolarHBondContact O-N 2.77Å; E274-S278 PolarHBondContact O-OG 3.19Å
275L89.6Confident88.1Confident109 Ų109100.8 Ų100.857%0.57152%0.518SS*.Hα-helixtrans-63.6-43.5171.6-178.463.8000112.3L271 S278 Q279L271-L275 VanDerWaalsContact O-CB 3.24Å; L271-L275 WeakPolarHBondContact O-CB 3.43Å; L271-L275 PolarHBondContact O-N 3.44Å; L275-S278 WeakPolarHBondContact CA-OG 3.31Å; L275-S278 PolarHBondContact O-N 3.13Å; L275-S278 PolarHBondContact O-OG 3.16Å; L275-S278 VanDerWaalsContact O-OG 3.07Å; L275-Q279 VanDerWaalsContact O-CB 3.23Å; L275-Q279 WeakPolarHBondContact O-CB 3.32Å; L275-Q279 PolarHBondContact O-N 3.29Å
276L90.2Very high88.5Confident107 Ų107102.8 Ų102.856%0.5652%0.523SS*.Hα-helixtrans-60.6-45.1173.6-94.9161.7000111.3K272 Q279 T280K272-L276 WeakPolarHBondContact O-CB 3.46Å; K272-L276 PolarHBondContact O-N 2.92Å; L276-Q279 PolarHBondContact O-N 2.95Å; L276-T280 PolarHBondContact O-N 3.22Å; L276-T280 PolarHBondContact O-OG1 3.31Å
277K88.4Confident88.7Confident143 Ų143101.2 Ų101.262%0.62252%0.521SS*.Hα-helixtrans-62.7-42.3177.5-74.5170.5-178.9179.30112.7Q273 E274 T280 K281Q273-K277 VanDerWaalsContact O-CG 3.28Å; Q273-K277 WeakPolarHBondContact O-CG 3.27Å; Q273-K277 PolarHBondContact O-N 3.27Å; E274-K277 PolarHBondContact O-N 3.41Å; K277-T280 PolarHBondContact O-N 3.37Å; K277-K281 PolarHBondContact O-N 2.94Å
278S85.5Confident88.9Confident61 Ų61101 Ų10143%0.42752%0.52SS..Hα-helixtrans-70.2-36.6176.858.90000111.8E274 L275 K281 V282E274-S278 PolarHBondContact O-N 2.77Å; E274-S278 PolarHBondContact O-OG 3.19Å; L275-S278 WeakPolarHBondContact CA-OG 3.31Å; L275-S278 PolarHBondContact O-N 3.13Å; L275-S278 PolarHBondContact O-OG 3.16Å; L275-S278 VanDerWaalsContact O-OG 3.07Å; S278-K281 PolarHBondContact O-N 2.86Å; S278-V282 WeakPolarHBondContact O-CG2 3.5Å; S278-V282 PolarHBondContact O-N 2.93Å
279Q89.6Confident89.3Confident126 Ų126102.6 Ų102.659%0.58953%0.527SS*.Hα-helixtrans-63.5-41.6172.8-170.4173.38.800112.1L275 L276 V282 A283L275-Q279 VanDerWaalsContact O-CB 3.23Å; L275-Q279 WeakPolarHBondContact O-CB 3.32Å; L275-Q279 PolarHBondContact O-N 3.29Å; L276-Q279 PolarHBondContact O-N 2.95Å; Q279-V282 PolarHBondContact O-N 3.36Å; Q279-A283 PolarHBondContact O-N 2.99Å
280T91.9Very high89.5Confident94 Ų94101.6 Ų101.658%0.57753%0.525SS*.Hα-helixtrans-63.6-39.6171.7-53.30000111.9L276 K277 A283 C284L276-T280 PolarHBondContact O-N 3.22Å; L276-T280 PolarHBondContact O-OG1 3.31Å; K277-T280 PolarHBondContact O-N 3.37Å; T280-A283 PolarHBondContact O-N 2.91Å; T280-C284 PolarHBondContact O-N 3.21Å
281K92.6Very high89.7Confident140 Ų14097.2 Ų97.261%0.60951%0.514SS*.Hα-helixtrans-65-40.5175.6-168.7-179-179.8-171.40111.9K277 S278 A283 C284 L285K277-K281 PolarHBondContact O-N 2.94Å; S278-K281 PolarHBondContact O-N 2.86Å; K281-A283 VanDerWaalsContact C-N 3.35Å; K281-C284 WeakPolarHBondContact O-CB 3.42Å; K281-C284 PolarHBondContact O-N 2.92Å; K281-L285 HydrophobicContact CG-CD1 4.2Å; K281-L285 WeakPolarHBondContact O-CG 3.25Å; K281-L285 PolarHBondContact O-N 3.26Å
282V91Very high89.9Confident77 Ų7797.7 Ų97.747%0.46752%0.516SS..Hα-helixtrans-61.6-43.3174.5169.60000110.8S278 Q279 C284 L285 Q286S278-V282 WeakPolarHBondContact O-CG2 3.5Å; S278-V282 PolarHBondContact O-N 2.93Å; Q279-V282 PolarHBondContact O-N 3.36Å; V282-C284 VanDerWaalsContact C-N 3.34Å; V282-C284 PolarHBondContact O-N 3.09Å; V282-L285 PolarHBondContact O-N 3.07Å; V282-Q286 HydrophobicContact CG1-CG 4.4Å; V282-Q286 WeakPolarHBondContact O-CB 3.24Å; V282-Q286 VanDerWaalsContact O-CG 3.3Å; V282-Q286 WeakPolarHBondContact O-CG 3.25Å; V282-Q286 PolarHBondContact O-N 3.15Å
283A89.3Confident90.3Very high54 Ų5497.8 Ų97.845%0.44652%0.517SS..Hα-helixtrans-63.3-36.7175.900000113.3Q279 T280 K281 Q286 S287Q279-A283 PolarHBondContact O-N 2.99Å; T280-A283 PolarHBondContact O-N 2.91Å; K281-A283 VanDerWaalsContact C-N 3.35Å; A283-Q286 PolarHBondContact O-N 3.5Å; A283-S287 PolarHBondContact O-N 2.91Å
284C89.3Confident90.5Very high68 Ų6895.6 Ų95.646%0.45951%0.512SS..Hα-helixtrans-63.2-50.2173-161.30000111.3T280 K281 V282 Q286 S287 E288T280-C284 PolarHBondContact O-N 3.21Å; K281-C284 WeakPolarHBondContact O-CB 3.42Å; K281-C284 PolarHBondContact O-N 2.92Å; V282-C284 VanDerWaalsContact C-N 3.34Å; V282-C284 PolarHBondContact O-N 3.09Å; C284-Q286 VanDerWaalsContact C-N 3.28Å; C284-Q286 PolarHBondContact O-N 2.87Å; C284-S287 WeakPolarHBondContact O-CB 3.5Å; C284-S287 PolarHBondContact O-N 3.46Å; C284-S287 VanDerWaalsContact O-N 3.1Å; C284-E288 WeakPolarHBondContact O-CG 3.42Å; C284-E288 PolarHBondContact O-N 3.1Å; C284-E288 PolarHBondContact SG-OE1 2.88Å
285L91.1Very high90.7Very high79 Ų7996.9 Ų96.941%0.41452%0.518SS..Hα-helixtrans-62.5-32.4177.1-68.9168.9000112.8K281 V282 M289K281-L285 HydrophobicContact CG-CD1 4.2Å; K281-L285 WeakPolarHBondContact O-CG 3.25Å; K281-L285 PolarHBondContact O-N 3.26Å; V282-L285 PolarHBondContact O-N 3.07Å; L285-M289 WeakPolarHBondContact O-CB 3.4Å; L285-M289 VanDerWaalsContact O-CG 3.26Å; L285-M289 WeakPolarHBondContact O-CG 3.46Å; L285-M289 PolarHBondContact O-N 3.05Å
286Q89.3Confident90.8Very high113 Ų11397.3 Ų97.353%0.52852%0.521SS..Hα-helixtrans-66-45.6172-75.3173.2-48.400111.2V282 A283 C284 E288 M289 D290V282-Q286 HydrophobicContact CG1-CG 4.4Å; V282-Q286 WeakPolarHBondContact O-CB 3.24Å; V282-Q286 VanDerWaalsContact O-CG 3.3Å; V282-Q286 WeakPolarHBondContact O-CG 3.25Å; V282-Q286 PolarHBondContact O-N 3.15Å; A283-Q286 PolarHBondContact O-N 3.5Å; C284-Q286 VanDerWaalsContact C-N 3.28Å; C284-Q286 PolarHBondContact O-N 2.87Å; Q286-E288 VanDerWaalsContact C-N 3.32Å; Q286-E288 PolarHBondContact O-N 3.37Å; Q286-M289 PolarHBondContact O-N 3.36Å; Q286-D290 PolarHBondContact O-N 2.86Å
287S91.6Very high90.9Very high85 Ų8595.6 Ų95.659%0.59452%0.515SS*.Hα-helixtrans-63.9-34.7175.2-168.20000113.2A283 C284 G291A283-S287 PolarHBondContact O-N 2.91Å; C284-S287 WeakPolarHBondContact O-CB 3.5Å; C284-S287 PolarHBondContact O-N 3.46Å; C284-S287 VanDerWaalsContact O-N 3.1Å; S287-G291 PolarHBondContact O-N 2.64Å
288E92.8Very high91Very high102 Ų10293.5 Ų93.548%0.47751%0.51SS..Hα-helixtrans-68.4-42.6173.8-71.3163.1-144.800111.2C284 Q286 G291 L292C284-E288 WeakPolarHBondContact O-CG 3.42Å; C284-E288 PolarHBondContact O-N 3.1Å; C284-E288 PolarHBondContact SG-OE1 2.88Å; Q286-E288 VanDerWaalsContact C-N 3.32Å; Q286-E288 PolarHBondContact O-N 3.37Å; E288-G291 PolarHBondContact O-N 3.47Å; E288-L292 WeakPolarHBondContact O-CG 3.43Å; E288-L292 PolarHBondContact O-N 3.17Å
289M88.5Confident91.3Very high121 Ų12196.4 Ų96.460%0.59652%0.517SS*.Hα-helixtrans-64.4-40.8175.1-79.4-61.6-47.300113L285 Q286 K293L285-M289 WeakPolarHBondContact O-CB 3.4Å; L285-M289 VanDerWaalsContact O-CG 3.26Å; L285-M289 WeakPolarHBondContact O-CG 3.46Å; L285-M289 PolarHBondContact O-N 3.05Å; Q286-M289 PolarHBondContact O-N 3.36Å; M289-K293 VanDerWaalsContact O-CB 3.27Å; M289-K293 WeakPolarHBondContact O-CB 3.49Å; M289-K293 PolarHBondContact O-N 3.33Å
290D89.9Confident91.3Very high100 Ų10093.8 Ų93.854%0.53551%0.512SS..Hα-helixtrans-67.6-37.9176-74.3-36000111.2Q286 K293 T294Q286-D290 PolarHBondContact O-N 2.86Å; D290-K293 WeakPolarHBondContact O-CB 3.44Å; D290-K293 PolarHBondContact O-N 3.09Å; D290-T294 PolarHBondContact O-N 3.21Å; D290-T294 PolarHBondContact O-OG1 3.07Å
291G92.8Very high91.2Very high28 Ų2893.2 Ų93.229%0.28950%0.504SS..Hα-helixtrans-61.8-50.5172.900000113.2S287 E288 K293 T294 E295S287-G291 PolarHBondContact O-N 2.64Å; E288-G291 PolarHBondContact O-N 3.47Å; G291-K293 PolarHBondContact O-N 3.49Å; G291-T294 WeakPolarHBondContact CA-OG1 3.44Å; G291-T294 PolarHBondContact O-N 3.37Å; G291-T294 VanDerWaalsContact O-N 3.11Å; G291-T294 PolarHBondContact O-OG1 3.08Å; G291-E295 PolarHBondContact O-N 3.29Å
292L91.1Very high90.8Very high102 Ų10290.3 Ų90.353%0.53450%0.496SS..Hα-helixtrans-61-32.2175-72171000112.4E288 L296E288-L292 WeakPolarHBondContact O-CG 3.43Å; E288-L292 PolarHBondContact O-N 3.17Å; L292-L296 WeakPolarHBondContact O-CB 3.45Å; L292-L296 PolarHBondContact O-N 2.94Å
293K93.7Very high90.5Very high137 Ų13789.8 Ų89.860%0.59650%0.495SS*.Hα-helixtrans-68.8-40.1174.5-175.6-176.3175-168.80111.8M289 D290 G291 L296 T297M289-K293 VanDerWaalsContact O-CB 3.27Å; M289-K293 WeakPolarHBondContact O-CB 3.49Å; M289-K293 PolarHBondContact O-N 3.33Å; D290-K293 WeakPolarHBondContact O-CB 3.44Å; D290-K293 PolarHBondContact O-N 3.09Å; G291-K293 PolarHBondContact O-N 3.49Å; K293-L296 PolarHBondContact O-N 3.16Å; K293-T297 PolarHBondContact O-N 2.97Å; K293-T297 PolarHBondContact O-OG1 3.45Å
294T92.4Very high90.6Very high78 Ų7892 Ų9248%0.47950%0.496SS..Hα-helixtrans-66.4-41.9172.943.20000112.4D290 G291 L296 T297 D298D290-T294 PolarHBondContact O-N 3.21Å; D290-T294 PolarHBondContact O-OG1 3.07Å; G291-T294 WeakPolarHBondContact CA-OG1 3.44Å; G291-T294 PolarHBondContact O-N 3.37Å; G291-T294 VanDerWaalsContact O-N 3.11Å; G291-T294 PolarHBondContact O-OG1 3.08Å; T294-L296 VanDerWaalsContact C-N 3.28Å; T294-L296 PolarHBondContact O-N 2.91Å; T294-T297 WeakPolarHBondContact CA-OG1 3.4Å; T294-T297 PolarHBondContact O-N 3.02Å; T294-T297 PolarHBondContact O-OG1 2.98Å; T294-D298 WeakPolarHBondContact O-CB 3.29Å; T294-D298 VanDerWaalsContact O-CG 3.29Å; T294-D298 PolarHBondContact O-N 2.95Å
295E93.8Very high90.6Very high111 Ų11194.6 Ų94.652%0.51950%0.496SS..Hα-helixtrans-60.6-38.1174.5-71.1-178.2-178.900112G291 D298 Q299G291-E295 PolarHBondContact O-N 3.29Å; E295-D298 PolarHBondContact O-N 3.25Å; E295-Q299 WeakPolarHBondContact O-CB 3.44Å; E295-Q299 VanDerWaalsContact O-CG 3.25Å; E295-Q299 WeakPolarHBondContact O-CG 3.44Å; E295-Q299 PolarHBondContact O-N 3Å
296L92.4Very high90.5Very high118 Ų11895.6 Ų95.662%0.61850%0.502SS*.Hα-helixtrans-68.4-39.3176.4-176.463.9000112.5L292 K293 T294 S300L292-L296 WeakPolarHBondContact O-CB 3.45Å; L292-L296 PolarHBondContact O-N 2.94Å; K293-L296 PolarHBondContact O-N 3.16Å; T294-L296 VanDerWaalsContact C-N 3.28Å; T294-L296 PolarHBondContact O-N 2.91Å; L296-S300 WeakPolarHBondContact O-CB 3.24Å; L296-S300 PolarHBondContact O-N 2.93Å
297T91.4Very high90.4Very high71 Ų7197.3 Ų97.344%0.43651%0.51SS..Hα-helixtrans-67.4-40.3174.148.10000111.7K293 T294 Q299 S300 M301K293-T297 PolarHBondContact O-N 2.97Å; K293-T297 PolarHBondContact O-OG1 3.45Å; T294-T297 WeakPolarHBondContact CA-OG1 3.4Å; T294-T297 PolarHBondContact O-N 3.02Å; T294-T297 PolarHBondContact O-OG1 2.98Å; T297-Q299 PolarHBondContact O-N 3.41Å; T297-S300 WeakPolarHBondContact O-CB 3.27Å; T297-S300 PolarHBondContact O-N 3.5Å; T297-M301 WeakPolarHBondContact O-CG 3.45Å; T297-M301 PolarHBondContact O-N 3.46Å
298D91.8Very high90.5Very high99 Ų9999.4 Ų99.453%0.52951%0.511SS..Hα-helixtrans-66.1-39.2178.3-69.1-10.3000111.4T294 E295 N302T294-D298 WeakPolarHBondContact O-CB 3.29Å; T294-D298 VanDerWaalsContact O-CG 3.29Å; T294-D298 PolarHBondContact O-N 2.95Å; E295-D298 PolarHBondContact O-N 3.25Å; D298-N302 WeakPolarHBondContact O-CB 3.29Å; D298-N302 PolarHBondContact O-N 2.94Å; D298-N302 PolarHBondContact O-OD1 2.91Å
299Q90.4Very high90.5Very high121 Ų12199 Ų9957%0.56551%0.511SS*.Hα-helixtrans-62.1-44171.3-75.5172.337.900111.9E295 T297 N302 S303E295-Q299 WeakPolarHBondContact O-CB 3.44Å; E295-Q299 VanDerWaalsContact O-CG 3.25Å; E295-Q299 WeakPolarHBondContact O-CG 3.44Å; E295-Q299 PolarHBondContact O-N 3Å; T297-Q299 PolarHBondContact O-N 3.41Å; Q299-N302 PolarHBondContact O-N 3.39Å; Q299-S303 PolarHBondContact O-N 3.29Å; Q299-S303 PolarHBondContact O-OG 3.42Å
300S90.7Very high90.4Very high71 Ų7199.5 Ų99.550%0.49751%0.514SS..Hα-helixtrans-60.3-48.2177.1-166.40000111.9L296 T297 N302 S303 E304L296-S300 WeakPolarHBondContact O-CB 3.24Å; L296-S300 PolarHBondContact O-N 2.93Å; T297-S300 WeakPolarHBondContact O-CB 3.27Å; T297-S300 PolarHBondContact O-N 3.5Å; S300-N302 VanDerWaalsContact C-N 3.26Å; S300-N302 PolarHBondContact O-N 2.85Å; S300-S303 WeakPolarHBondContact CA-OG 3.47Å; S300-S303 PolarHBondContact O-N 3.11Å; S300-S303 PolarHBondContact O-OG 3.4Å; S300-E304 WeakPolarHBondContact O-CB 3.44Å; S300-E304 PolarHBondContact O-N 3.45Å
301M89.1Confident90.5Very high82 Ų82101.1 Ų101.140%0.40452%0.516SS..Hα-helixtrans-65-28.7177.5-66.2-57.6-4100112.6T297 E304 R305T297-M301 WeakPolarHBondContact O-CG 3.45Å; T297-M301 PolarHBondContact O-N 3.46Å; M301-E304 VanDerWaalsContact CE-OE2 3.28Å; M301-E304 WeakPolarHBondContact CE-OE2 3.47Å; M301-R305 WeakPolarHBondContact O-CG 3.34Å; M301-R305 VanDerWaalsContact O-CZ 3.23Å; M301-R305 PolarHBondContact O-N 3.29Å; M301-R305 PolarHBondContact O-NH1 2.94Å; M301-R305 VanDerWaalsContact O-NH1 3.13Å
302N85.8Confident90.5Very high80 Ų80104.8 Ų104.843%0.42853%0.525SS..Hα-helixtrans-72.1-48.9173.5-71.9-2.9000111.1D298 Q299 S300 E304 R305 D306D298-N302 WeakPolarHBondContact O-CB 3.29Å; D298-N302 PolarHBondContact O-N 2.94Å; D298-N302 PolarHBondContact O-OD1 2.91Å; Q299-N302 PolarHBondContact O-N 3.39Å; S300-N302 VanDerWaalsContact C-N 3.26Å; S300-N302 PolarHBondContact O-N 2.85Å; N302-E304 VanDerWaalsContact C-N 3.26Å; N302-E304 PolarHBondContact O-N 3.45Å; N302-R305 PolarHBondContact O-N 2.99Å; N302-R305 VanDerWaalsContact O-N 3.16Å; N302-R305 PolarHBondContact OD1-NH1 3.24Å; N302-D306 PolarHBondContact O-N 3.06Å
303S84.7Confident90.4Very high65 Ų65105.3 Ų105.346%0.45552%0.523SS..Hα-helixtrans-61.1-33.2177.149.10000113.4Q299 S300 D306 E307Q299-S303 PolarHBondContact O-N 3.29Å; Q299-S303 PolarHBondContact O-OG 3.42Å; S300-S303 WeakPolarHBondContact CA-OG 3.47Å; S300-S303 PolarHBondContact O-N 3.11Å; S300-S303 PolarHBondContact O-OG 3.4Å; S303-D306 PolarHBondContact O-N 2.66Å; S303-E307 WeakPolarHBondContact O-CB 3.35Å; S303-E307 PolarHBondContact O-N 3.12Å
304E90.6Very high90.2Very high100 Ų100100.4 Ų100.447%0.46751%0.509SS..Hα-helixtrans-64.4-45.9174.9-173.4170.6-141.100111.4S300 M301 N302 D306 E307 E308S300-E304 WeakPolarHBondContact O-CB 3.44Å; S300-E304 PolarHBondContact O-N 3.45Å; M301-E304 VanDerWaalsContact CE-OE2 3.28Å; M301-E304 WeakPolarHBondContact CE-OE2 3.47Å; N302-E304 VanDerWaalsContact C-N 3.26Å; N302-E304 PolarHBondContact O-N 3.45Å; E304-D306 PolarHBondContact O-N 2.98Å; E304-E307 PolarHBondContact O-N 2.83Å; E304-E308 WeakPolarHBondContact O-CG 3.37Å; E304-E308 PolarHBondContact O-N 3.13Å
305R90.1Very high90.2Very high123 Ų123100.9 Ų100.946%0.46451%0.508SS..Hα-helixtrans-68.1-33.4175.7-68.7-173.8-126.894.4-3.1113.3M301 N302 E307 L309M301-R305 WeakPolarHBondContact O-CG 3.34Å; M301-R305 VanDerWaalsContact O-CZ 3.23Å; M301-R305 PolarHBondContact O-N 3.29Å; M301-R305 PolarHBondContact O-NH1 2.94Å; M301-R305 VanDerWaalsContact O-NH1 3.13Å; N302-R305 PolarHBondContact O-N 2.99Å; N302-R305 VanDerWaalsContact O-N 3.16Å; N302-R305 PolarHBondContact OD1-NH1 3.24Å; R305-E307 VanDerWaalsContact C-N 3.35Å; R305-L309 WeakPolarHBondContact O-CB 3.48Å; R305-L309 PolarHBondContact O-N 3.07Å
306D86.9Confident90.1Very high101 Ų10199.6 Ų99.654%0.5450%0.502SS..Hα-helixtrans-67.8-36.5173.6-67-26.1000110.9N302 S303 E304 M310N302-D306 PolarHBondContact O-N 3.06Å; S303-D306 PolarHBondContact O-N 2.66Å; E304-D306 PolarHBondContact O-N 2.98Å; D306-M310 WeakPolarHBondContact O-CB 3.28Å; D306-M310 VanDerWaalsContact O-CG 3.28Å; D306-M310 WeakPolarHBondContact O-CG 3.42Å; D306-M310 PolarHBondContact O-N 3.1Å
307E89.1Confident90.1Very high149 Ų149100.8 Ų100.870%0.69650%0.499SS*.Hα-helixtrans-69.2-41.3173.7-172.2168.2-174.300112.1S303 E304 R305 L309 M310 K311S303-E307 WeakPolarHBondContact O-CB 3.35Å; S303-E307 PolarHBondContact O-N 3.12Å; E304-E307 PolarHBondContact O-N 2.83Å; R305-E307 VanDerWaalsContact C-N 3.35Å; E307-L309 PolarHBondContact O-N 3.18Å; E307-M310 PolarHBondContact O-N 2.96Å; E307-K311 WeakPolarHBondContact O-CB 3.38Å; E307-K311 PolarHBondContact O-N 3.03Å
308E91.9Very high90Very high129 Ų129101 Ų10160%0.60350%0.497SS*.Hα-helixtrans-59.1-44171.5-72.9-176.1139.900112.3E304 K311 H312E304-E308 WeakPolarHBondContact O-CG 3.37Å; E304-E308 PolarHBondContact O-N 3.13Å; E308-K311 WeakPolarHBondContact O-CB 3.42Å; E308-K311 PolarHBondContact O-N 3.48Å; E308-H312 PolarHBondContact O-N 3.37Å
309L92.8Very high90.1Very high93 Ų93101 Ų10149%0.48750%0.496SS..Hα-helixtrans-66.2-44.2177.8179.562.3000111.9R305 E307 K311 H312 F313R305-L309 WeakPolarHBondContact O-CB 3.48Å; R305-L309 PolarHBondContact O-N 3.07Å; E307-L309 PolarHBondContact O-N 3.18Å; L309-K311 VanDerWaalsContact C-N 3.26Å; L309-K311 PolarHBondContact O-N 3.47Å; L309-H312 WeakPolarHBondContact O-CB 3.28Å; L309-H312 PolarHBondContact O-N 3.39Å; L309-F313 HydrophobicContact CD1-CD2 4.23Å; L309-F313 HydrophobicContact CD1-CE2 3.64Å; L309-F313 HydrophobicContact CD1-CZ 4.18Å; L309-F313 HydrophobicContact CD2-CE2 4.33Å; L309-F313 HydrophobicContact CG-CD2 4.16Å; L309-F313 HydrophobicContact CG-CE2 3.75Å; L309-F313 VanDerWaalsContact O-CD2 3.29Å; L309-F313 WeakPolarHBondContact O-CD2 3.5Å; L309-F313 PolarHBondContact O-N 2.91Å; L309-F313 VanDerWaalsContact O-N 3.16Å
310M88.1Confident90.2Very high132 Ų132100.2 Ų100.265%0.6550%0.495SS*.Hα-helixtrans-62.9-33.8175.1-76.9-61.7-57.300112.2D306 E307 A314D306-M310 WeakPolarHBondContact O-CB 3.28Å; D306-M310 VanDerWaalsContact O-CG 3.28Å; D306-M310 WeakPolarHBondContact O-CG 3.42Å; D306-M310 PolarHBondContact O-N 3.1Å; E307-M310 PolarHBondContact O-N 2.96Å; M310-A314 PolarHBondContact O-N 3.04Å; M310-A314 VanDerWaalsContact O-N 3.12Å
311K91.9Very high90.2Very high133 Ų133102.8 Ų102.858%0.57850%0.499SS*.Hα-helixtrans-67.1-43.4172.8-174.7-173.4170.4-167.20111.9E307 E308 L309 F313 A314 D315E307-K311 WeakPolarHBondContact O-CB 3.38Å; E307-K311 PolarHBondContact O-N 3.03Å; E308-K311 WeakPolarHBondContact O-CB 3.42Å; E308-K311 PolarHBondContact O-N 3.48Å; L309-K311 VanDerWaalsContact C-N 3.26Å; L309-K311 PolarHBondContact O-N 3.47Å; K311-F313 VanDerWaalsContact C-N 3.31Å; K311-F313 PolarHBondContact O-N 3.08Å; K311-A314 WeakPolarHBondContact O-CA 3.13Å; K311-A314 WeakPolarHBondContact O-CB 3.34Å; K311-A314 PolarHBondContact O-N 2.86Å; K311-D315 PolarHBondContact O-N 3.15Å
312H92.4Very high90.3Very high106 Ų106101.8 Ų101.849%0.49150%0.5SS..Hα-helixtrans-55.9-45.8175.4-171-76.7000111.7E308 L309 A314 D315 E316E308-H312 PolarHBondContact O-N 3.37Å; L309-H312 WeakPolarHBondContact O-CB 3.28Å; L309-H312 PolarHBondContact O-N 3.39Å; H312-A314 VanDerWaalsContact C-N 3.3Å; H312-A314 PolarHBondContact O-N 2.88Å; H312-D315 PolarHBondContact O-N 3.11Å; H312-E316 IonicContact CE1-OE1 3.58Å; H312-E316 PolarHBondContact CE1-OE1 3.22Å; H312-E316 IonicContact CE1-OE2 3.7Å; H312-E316 VanDerWaalsContact ND1-CD 3.32Å; H312-E316 IonicContact ND1-OE1 2.71Å; H312-E316 IonicContact ND1-OE2 3.6Å; H312-E316 PolarHBondContact ND1-OE2 3.4Å; H312-E316 VanDerWaalsContact ND1-OE2 3.1Å; H312-E316 WeakPolarHBondContact O-CG 3.48Å; H312-E316 PolarHBondContact O-N 3.33Å
313F88.4Confident90.6Very high112 Ų112102 Ų10249%0.49150%0.499SS..Hα-helixtrans-66-28.9176-71.4-55.2000113.7L309 K311 E316 R317L309-F313 HydrophobicContact CD1-CD2 4.23Å; L309-F313 HydrophobicContact CD1-CE2 3.64Å; L309-F313 HydrophobicContact CD1-CZ 4.18Å; L309-F313 HydrophobicContact CD2-CE2 4.33Å; L309-F313 HydrophobicContact CG-CD2 4.16Å; L309-F313 HydrophobicContact CG-CE2 3.75Å; L309-F313 VanDerWaalsContact O-CD2 3.29Å; L309-F313 WeakPolarHBondContact O-CD2 3.5Å; L309-F313 PolarHBondContact O-N 2.91Å; L309-F313 VanDerWaalsContact O-N 3.16Å; K311-F313 VanDerWaalsContact C-N 3.31Å; K311-F313 PolarHBondContact O-N 3.08Å; F313-E316 WeakPolarHBondContact CD1-OE2 3.15Å; F313-R317 WeakPolarHBondContact O-CB 3.38Å; F313-R317 PolarHBondContact O-N 3.16Å
314A89.9Confident90.7Very high35 Ų35103.2 Ų103.229%0.28950%0.499SS..Hα-helixtrans-71.2-45172.400000111.6M310 K311 H312 E316 R317 D318M310-A314 PolarHBondContact O-N 3.04Å; M310-A314 VanDerWaalsContact O-N 3.12Å; K311-A314 WeakPolarHBondContact O-CA 3.13Å; K311-A314 WeakPolarHBondContact O-CB 3.34Å; K311-A314 PolarHBondContact O-N 2.86Å; H312-A314 VanDerWaalsContact C-N 3.3Å; H312-A314 PolarHBondContact O-N 2.88Å; A314-E316 VanDerWaalsContact C-N 3.34Å; A314-E316 PolarHBondContact O-N 3.36Å; A314-R317 WeakPolarHBondContact O-CB 3.34Å; A314-R317 PolarHBondContact O-N 3.49Å; A314-D318 PolarHBondContact O-N 3.05Å
315D91.3Very high90.8Very high87 Ų87104.4 Ų104.447%0.46551%0.505SS..Hα-helixtrans-61.4-41.8176.2-67.5-27.8000110.7K311 H312 D318 I319K311-D315 PolarHBondContact O-N 3.15Å; H312-D315 PolarHBondContact O-N 3.11Å; D315-D318 PolarHBondContact O-N 3.33Å; D315-I319 WeakPolarHBondContact O-CD1 3.35Å; D315-I319 VanDerWaalsContact O-CG1 3.26Å; D315-I319 WeakPolarHBondContact O-CG1 3.44Å; D315-I319 PolarHBondContact O-N 2.91Å; D315-I319 VanDerWaalsContact O-N 3.07Å
316E92Very high90.9Very high85 Ų85103 Ų10340%0.39751%0.505SS..Hα-helixtrans-63-42.9173.1-75.6-179128.600113.1H312 F313 A314 D318 I319 L320H312-E316 IonicContact CE1-OE1 3.58Å; H312-E316 PolarHBondContact CE1-OE1 3.22Å; H312-E316 IonicContact CE1-OE2 3.7Å; H312-E316 VanDerWaalsContact ND1-CD 3.32Å; H312-E316 IonicContact ND1-OE1 2.71Å; H312-E316 IonicContact ND1-OE2 3.6Å; H312-E316 PolarHBondContact ND1-OE2 3.4Å; H312-E316 VanDerWaalsContact ND1-OE2 3.1Å; H312-E316 WeakPolarHBondContact O-CG 3.48Å; H312-E316 PolarHBondContact O-N 3.33Å; F313-E316 WeakPolarHBondContact CD1-OE2 3.15Å; A314-E316 VanDerWaalsContact C-N 3.34Å; A314-E316 PolarHBondContact O-N 3.36Å; E316-D318 VanDerWaalsContact C-N 3.34Å; E316-D318 PolarHBondContact O-N 3.01Å; E316-I319 PolarHBondContact O-N 3.14Å; E316-L320 WeakPolarHBondContact O-CG 3.38Å; E316-L320 PolarHBondContact O-N 3.41Å
317R92Very high90.8Very high142 Ų142102.9 Ų102.954%0.53650%0.504SS..Hα-helixtrans-60-45.3175.9-178.8-158.467.8-170.9-3.1111F313 A314 I319 L320 E321F313-R317 WeakPolarHBondContact O-CB 3.38Å; F313-R317 PolarHBondContact O-N 3.16Å; A314-R317 WeakPolarHBondContact O-CB 3.34Å; A314-R317 PolarHBondContact O-N 3.49Å; R317-I319 VanDerWaalsContact C-N 3.33Å; R317-I319 PolarHBondContact O-N 2.99Å; R317-L320 WeakPolarHBondContact O-CB 3.46Å; R317-L320 PolarHBondContact O-N 2.89Å; R317-L320 VanDerWaalsContact O-N 3.12Å; R317-E321 PolarHBondContact O-N 3.45Å
318D90.1Very high90.7Very high75 Ų75101.7 Ų101.740%0.40150%0.499SS..Hα-helixtrans-70.9-32.4-175.7-68.610.4000111.2A314 D315 E316 S322A314-D318 PolarHBondContact O-N 3.05Å; D315-D318 PolarHBondContact O-N 3.33Å; E316-D318 VanDerWaalsContact C-N 3.34Å; E316-D318 PolarHBondContact O-N 3.01Å; D318-S322 WeakPolarHBondContact O-CB 3.38Å; D318-S322 PolarHBondContact O-N 3.37Å
319I93.5Very high90.5Very high101 Ų10198.9 Ų98.952%0.51849%0.49SS..Hα-helixtrans-62.3-43.7167.7-71164.4000111.4D315 E316 R317 Q323D315-I319 WeakPolarHBondContact O-CD1 3.35Å; D315-I319 VanDerWaalsContact O-CG1 3.26Å; D315-I319 WeakPolarHBondContact O-CG1 3.44Å; D315-I319 PolarHBondContact O-N 2.91Å; D315-I319 VanDerWaalsContact O-N 3.07Å; E316-I319 PolarHBondContact O-N 3.14Å; R317-I319 VanDerWaalsContact C-N 3.33Å; R317-I319 PolarHBondContact O-N 2.99Å; I319-Q323 WeakPolarHBondContact O-CG 3.28Å; I319-Q323 PolarHBondContact O-N 3.12Å
320L92.2Very high90Very high103 Ų10398.6 Ų98.654%0.53949%0.49SS..Hα-helixtrans-67.9-40.1177.8-71.3169.6000112.1E316 R317 Q323 I324E316-L320 WeakPolarHBondContact O-CG 3.38Å; E316-L320 PolarHBondContact O-N 3.41Å; R317-L320 WeakPolarHBondContact O-CB 3.46Å; R317-L320 PolarHBondContact O-N 2.89Å; R317-L320 VanDerWaalsContact O-N 3.12Å; L320-Q323 PolarHBondContact O-N 3.14Å; L320-I324 VanDerWaalsContact O-CG1 3.3Å; L320-I324 WeakPolarHBondContact O-CG1 3.41Å; L320-I324 PolarHBondContact O-N 2.9Å
321E91.9Very high89.7Confident126 Ų126102.1 Ų102.159%0.58950%0.495SS*.Hα-helixtrans-63.1-43.4175.9-173.8160.7-155.700111.2R317 Q323 I324 E325R317-E321 PolarHBondContact O-N 3.45Å; E321-Q323 PolarHBondContact O-N 2.9Å; E321-I324 WeakPolarHBondContact O-CB 3.4Å; E321-I324 PolarHBondContact O-N 3.08Å; E321-I324 VanDerWaalsContact O-N 3.13Å; E321-E325 PolarHBondContact O-N 3.33Å
322S91.1Very high89.5Confident60 Ų6099.2 Ų99.242%0.4249%0.489SS..Hα-helixtrans-61.5-41.7173.4-172.30000112.7D318 I324 E325 I326D318-S322 WeakPolarHBondContact O-CB 3.38Å; D318-S322 PolarHBondContact O-N 3.37Å; S322-I324 VanDerWaalsContact C-N 3.3Å; S322-I324 PolarHBondContact O-N 2.72Å; S322-E325 PolarHBondContact O-N 3.2Å; S322-I326 WeakPolarHBondContact O-CG1 3.28Å; S322-I326 PolarHBondContact O-N 3.32Å
323Q92Very high89.1Confident86 Ų8696.2 Ų96.240%0.40248%0.483SS..Hα-helixtrans-62.8-36.6173.3-75.4-174.355.900112.6I319 L320 E321 L327I319-Q323 WeakPolarHBondContact O-CG 3.28Å; I319-Q323 PolarHBondContact O-N 3.12Å; L320-Q323 PolarHBondContact O-N 3.14Å; E321-Q323 PolarHBondContact O-N 2.9Å; Q323-L327 VanDerWaalsContact O-CG 3.3Å; Q323-L327 WeakPolarHBondContact O-CG 3.35Å; Q323-L327 PolarHBondContact O-N 3.27Å; Q323-L327 VanDerWaalsContact O-N 3.08Å
324I87.2Confident88.9Confident89 Ų8994.8 Ų94.846%0.45648%0.48SS..Hα-helixtrans-67.5-42.2175.4-71.6164.6000110.5L320 E321 S322 I326 L327 Q328L320-I324 VanDerWaalsContact O-CG1 3.3Å; L320-I324 WeakPolarHBondContact O-CG1 3.41Å; L320-I324 PolarHBondContact O-N 2.9Å; E321-I324 WeakPolarHBondContact O-CB 3.4Å; E321-I324 PolarHBondContact O-N 3.08Å; E321-I324 VanDerWaalsContact O-N 3.13Å; S322-I324 VanDerWaalsContact C-N 3.3Å; S322-I324 PolarHBondContact O-N 2.72Å; I324-I326 PolarHBondContact O-N 3.46Å; I324-L327 PolarHBondContact O-N 2.98Å; I324-Q328 HydrophobicContact CG2-CG 4.34Å; I324-Q328 VanDerWaalsContact CG2-NE2 3.26Å; I324-Q328 WeakPolarHBondContact O-CB 3.49Å; I324-Q328 VanDerWaalsContact O-CG 3.31Å; I324-Q328 WeakPolarHBondContact O-CG 3.48Å; I324-Q328 PolarHBondContact O-N 3.49Å
325E92.4Very high88.8Confident126 Ų126101.6 Ų101.659%0.58950%0.498SS*.Hα-helixtrans-62.3-41.9176.1-170.9179.4-158.800112E321 S322 Q328 T329E321-E325 PolarHBondContact O-N 3.33Å; S322-E325 PolarHBondContact O-N 3.2Å; E325-Q328 PolarHBondContact O-N 2.94Å; E325-T329 HydrophobicContact CG-CG2 4.39Å; E325-T329 WeakPolarHBondContact O-CB 3.2Å; E325-T329 WeakPolarHBondContact O-CG2 3.38Å; E325-T329 PolarHBondContact O-N 3.06Å; E325-T329 PolarHBondContact O-OG1 2.89Å
326I90.9Very high88.7Confident93 Ų93103.8 Ų103.848%0.47750%0.504SS..Hα-helixtrans-59.9-47.8174.3-67.7165000110.5S322 I324 Q328 T329 D330S322-I326 WeakPolarHBondContact O-CG1 3.28Å; S322-I326 PolarHBondContact O-N 3.32Å; I324-I326 PolarHBondContact O-N 3.46Å; I326-Q328 VanDerWaalsContact C-N 3.33Å; I326-Q328 PolarHBondContact O-N 3Å; I326-T329 WeakPolarHBondContact CA-OG1 3.4Å; I326-T329 PolarHBondContact O-N 3.08Å; I326-T329 PolarHBondContact O-OG1 2.95Å; I326-D330 WeakPolarHBondContact O-CB 3.36Å; I326-D330 PolarHBondContact O-N 3.2Å
327L84.8Confident88.3Confident98 Ų98104.7 Ų104.751%0.51351%0.511SS..Hα-helixtrans-65.8-33.7178.2-70.1169.8000113Q323 I324 R331Q323-L327 VanDerWaalsContact O-CG 3.3Å; Q323-L327 WeakPolarHBondContact O-CG 3.35Å; Q323-L327 PolarHBondContact O-N 3.27Å; Q323-L327 VanDerWaalsContact O-N 3.08Å; I324-L327 PolarHBondContact O-N 2.98Å; L327-R331 WeakPolarHBondContact O-CB 3.23Å; L327-R331 PolarHBondContact O-N 3.01Å
328Q87.3Confident87.6Confident124 Ų124103.3 Ų103.358%0.57951%0.51SS*.Hα-helixtrans-69.8-46.6174.3-74-174.137.800111.6I324 E325 I326 R331 T332I324-Q328 HydrophobicContact CG2-CG 4.34Å; I324-Q328 VanDerWaalsContact CG2-NE2 3.26Å; I324-Q328 WeakPolarHBondContact O-CB 3.49Å; I324-Q328 VanDerWaalsContact O-CG 3.31Å; I324-Q328 WeakPolarHBondContact O-CG 3.48Å; I324-Q328 PolarHBondContact O-N 3.49Å; E325-Q328 PolarHBondContact O-N 2.94Å; I326-Q328 VanDerWaalsContact C-N 3.33Å; I326-Q328 PolarHBondContact O-N 3Å; Q328-R331 WeakPolarHBondContact O-CB 3.47Å; Q328-R331 PolarHBondContact O-N 2.95Å; Q328-R331 VanDerWaalsContact O-N 3.15Å; Q328-T332 WeakPolarHBondContact O-CG2 3.37Å; Q328-T332 PolarHBondContact O-N 2.72Å
329T88.3Confident87.5Confident70 Ų70104.4 Ų104.443%0.42952%0.516SS..Hα-helixtrans-62.4-45.417948.60000111.2E325 I326 R331 T332 A333E325-T329 HydrophobicContact CG-CG2 4.39Å; E325-T329 WeakPolarHBondContact O-CB 3.2Å; E325-T329 WeakPolarHBondContact O-CG2 3.38Å; E325-T329 PolarHBondContact O-N 3.06Å; E325-T329 PolarHBondContact O-OG1 2.89Å; I326-T329 WeakPolarHBondContact CA-OG1 3.4Å; I326-T329 PolarHBondContact O-N 3.08Å; I326-T329 PolarHBondContact O-OG1 2.95Å; T329-R331 VanDerWaalsContact C-N 3.33Å; T329-R331 PolarHBondContact O-N 2.99Å; T329-T332 PolarHBondContact O-N 3.46Å; T329-T332 VanDerWaalsContact O-N 3.08Å; T329-T332 PolarHBondContact O-OG1 3.46Å; T329-A333 PolarHBondContact O-N 2.93Å
330D82.8Confident87.3Confident88 Ų88103 Ų10347%0.47152%0.515SS..Hα-helixtrans-56.4-42.8170.7-92.8-11.7000112.4I326 T332 A333 N334I326-D330 WeakPolarHBondContact O-CB 3.36Å; I326-D330 PolarHBondContact O-N 3.2Å; D330-T332 VanDerWaalsContact C-N 3.32Å; D330-T332 PolarHBondContact O-N 2.87Å; D330-A333 PolarHBondContact O-N 3.02Å; D330-N334 WeakPolarHBondContact O-CB 3.47Å; D330-N334 PolarHBondContact O-N 3.44Å; D330-N334 PolarHBondContact O-ND2 3.21Å
331R82.1Confident87Confident205 Ų205102 Ų10277%0.77451%0.51SS*.Hα-helixtrans-63.6-36.5176.4-168.5174.5-174.3169.73.6111.9L327 Q328 T329 R335L327-R331 WeakPolarHBondContact O-CB 3.23Å; L327-R331 PolarHBondContact O-N 3.01Å; Q328-R331 WeakPolarHBondContact O-CB 3.47Å; Q328-R331 PolarHBondContact O-N 2.95Å; Q328-R331 VanDerWaalsContact O-N 3.15Å; T329-R331 VanDerWaalsContact C-N 3.33Å; T329-R331 PolarHBondContact O-N 2.99Å; R331-R335 WeakPolarHBondContact O-CB 3.25Å; R331-R335 PolarHBondContact O-N 3.07Å
332T87.3Confident86.8Confident72 Ų7299.6 Ų99.644%0.44250%0.502SS..Hα-helixtrans-72.3-33.6173.574.70000113.1Q328 T329 D330 K336Q328-T332 WeakPolarHBondContact O-CG2 3.37Å; Q328-T332 PolarHBondContact O-N 2.72Å; T329-T332 PolarHBondContact O-N 3.46Å; T329-T332 VanDerWaalsContact O-N 3.08Å; T329-T332 PolarHBondContact O-OG1 3.46Å; D330-T332 VanDerWaalsContact C-N 3.32Å; D330-T332 PolarHBondContact O-N 2.87Å; T332-K336 WeakPolarHBondContact O-CD 3.46Å; T332-K336 VanDerWaalsContact O-CG 3.29Å; T332-K336 WeakPolarHBondContact O-CG 3.27Å; T332-K336 PolarHBondContact O-N 3.4Å; T332-K336 VanDerWaalsContact O-N 3.08Å
333A84.5Confident86.7Confident43 Ų4398.5 Ų98.536%0.35550%0.5SS..Hα-helixtrans-67.2-49.9176.300000110.9T329 D330 R335 K336 L337T329-A333 PolarHBondContact O-N 2.93Å; D330-A333 PolarHBondContact O-N 3.02Å; A333-R335 VanDerWaalsContact C-N 3.31Å; A333-R335 PolarHBondContact O-N 2.95Å; A333-K336 WeakPolarHBondContact O-CB 3.44Å; A333-K336 PolarHBondContact O-N 3.37Å; A333-K336 VanDerWaalsContact O-N 3.15Å; A333-L337 PolarHBondContact O-N 3.45Å
334N82.8Confident86.3Confident83 Ų8399.6 Ų99.644%0.44451%0.508SS..Hα-helixtrans-59.1-41.2174.6-76.1-64.7000111.8D330 K336 L337 H338D330-N334 WeakPolarHBondContact O-CB 3.47Å; D330-N334 PolarHBondContact O-N 3.44Å; D330-N334 PolarHBondContact O-ND2 3.21Å; N334-K336 PolarHBondContact O-N 3.09Å; N334-L337 WeakPolarHBondContact O-CB 3.08Å; N334-L337 PolarHBondContact O-N 3.08Å; N334-L337 VanDerWaalsContact O-N 3.15Å; N334-H338 PolarHBondContact O-CD2 3.44Å; N334-H338 VanDerWaalsContact O-CD2 3.23Å; N334-H338 PolarHBondContact O-N 3.09Å
335R88.8Confident86Confident177 Ų177102.9 Ų102.967%0.66851%0.514SS*.Hα-helixtrans-57.4-47.7173.3-175.2177.5177.8175.23.1112.3R331 A333 L337 H338 D339R331-R335 WeakPolarHBondContact O-CB 3.25Å; R331-R335 PolarHBondContact O-N 3.07Å; A333-R335 VanDerWaalsContact C-N 3.31Å; A333-R335 PolarHBondContact O-N 2.95Å; R335-L337 VanDerWaalsContact C-N 3.26Å; R335-L337 PolarHBondContact O-N 3.49Å; R335-H338 PolarHBondContact O-N 3.25Å; R335-H338 VanDerWaalsContact O-N 3.11Å; R335-D339 VanDerWaalsContact O-CG 3.26Å; R335-D339 PolarHBondContact O-N 3.35Å
336K89.1Confident85.5Confident133 Ų13399.1 Ų99.158%0.57850%0.502SS*.Hα-helixtrans-60.4-34.5176.4-68.9160.9-174.6164.70112.3T332 A333 N334 S340T332-K336 WeakPolarHBondContact O-CD 3.46Å; T332-K336 VanDerWaalsContact O-CG 3.29Å; T332-K336 WeakPolarHBondContact O-CG 3.27Å; T332-K336 PolarHBondContact O-N 3.4Å; T332-K336 VanDerWaalsContact O-N 3.08Å; A333-K336 WeakPolarHBondContact O-CB 3.44Å; A333-K336 PolarHBondContact O-N 3.37Å; A333-K336 VanDerWaalsContact O-N 3.15Å; N334-K336 PolarHBondContact O-N 3.09Å; K336-S340 WeakPolarHBondContact O-CB 3.47Å; K336-S340 PolarHBondContact O-N 3.24Å; K336-S340 PolarHBondContact O-OG 3.07Å
337L83.3Confident85Confident104 Ų10498.1 Ų98.155%0.54550%0.5SS..Hα-helixtrans-69.3-40.2173.8-67.4174.3000112.2A333 N334 R335 S340 N341A333-L337 PolarHBondContact O-N 3.45Å; N334-L337 WeakPolarHBondContact O-CB 3.08Å; N334-L337 PolarHBondContact O-N 3.08Å; N334-L337 VanDerWaalsContact O-N 3.15Å; R335-L337 VanDerWaalsContact C-N 3.26Å; R335-L337 PolarHBondContact O-N 3.49Å; L337-S340 PolarHBondContact O-N 2.88Å; L337-N341 VanDerWaalsContact O-CB 3.32Å; L337-N341 WeakPolarHBondContact O-CB 3.29Å; L337-N341 VanDerWaalsContact O-CG 3.31Å; L337-N341 PolarHBondContact O-N 3.18Å; L337-N341 PolarHBondContact O-ND2 2.92Å; L337-N341 VanDerWaalsContact O-ND2 3.15Å
338H77.9Confident84.6Confident114 Ų11498.7 Ų98.753%0.52850%0.503SS..Hα-helixtrans-63.5-49.8172.3-81.1-77.4000112N334 R335 S340 N341 D342N334-H338 PolarHBondContact O-CD2 3.44Å; N334-H338 VanDerWaalsContact O-CD2 3.23Å; N334-H338 PolarHBondContact O-N 3.09Å; R335-H338 PolarHBondContact O-N 3.25Å; R335-H338 VanDerWaalsContact O-N 3.11Å; H338-S340 PolarHBondContact O-N 2.97Å; H338-N341 PolarHBondContact O-N 2.87Å; H338-N341 VanDerWaalsContact O-N 3.08Å; H338-D342 PolarHBondContact O-N 3.32Å
339D86.8Confident84.1Confident97 Ų9797 Ų9752%0.51950%0.495SS..Hα-helixtrans-54.7-40.1176-64.5-34.1000111.2R335 G343R335-D339 VanDerWaalsContact O-CG 3.26Å; R335-D339 PolarHBondContact O-N 3.35Å; D339-G343 PolarHBondContact O-N 3.45Å
340S90.2Very high83.5Confident71 Ų7199.3 Ų99.350%0.49750%0.499SS..Hα-helixtrans-68.9-44.3176-59.40000112.8K336 L337 H338 G343 L344K336-S340 WeakPolarHBondContact O-CB 3.47Å; K336-S340 PolarHBondContact O-N 3.24Å; K336-S340 PolarHBondContact O-OG 3.07Å; L337-S340 PolarHBondContact O-N 2.88Å; H338-S340 PolarHBondContact O-N 2.97Å; S340-G343 PolarHBondContact O-N 2.96Å; S340-L344 WeakPolarHBondContact O-CG 3.34Å; S340-L344 PolarHBondContact O-N 3.39Å
341N86.5Confident83.2Confident82 Ų82100.4 Ų100.444%0.43950%0.504SS..Hα-helixtrans-67.4-38.2179.8-81.4-36.6000112.6L337 H338 L344 R345L337-N341 VanDerWaalsContact O-CB 3.32Å; L337-N341 WeakPolarHBondContact O-CB 3.29Å; L337-N341 VanDerWaalsContact O-CG 3.31Å; L337-N341 PolarHBondContact O-N 3.18Å; L337-N341 PolarHBondContact O-ND2 2.92Å; L337-N341 VanDerWaalsContact O-ND2 3.15Å; H338-N341 PolarHBondContact O-N 2.87Å; H338-N341 VanDerWaalsContact O-N 3.08Å; N341-L344 WeakPolarHBondContact O-CB 3.47Å; N341-L344 PolarHBondContact O-N 3.22Å; N341-R345 VanDerWaalsContact O-CG 3.31Å; N341-R345 WeakPolarHBondContact O-CG 3.45Å; N341-R345 PolarHBondContact O-N 2.96Å
342D87.6Confident82.6Confident77 Ų7793.5 Ų93.541%0.41249%0.485SS..Hα-helixtrans-74.6-30.2175.5-71.3-28.7000111.8H338 R345 S346H338-D342 PolarHBondContact O-N 3.32Å; D342-R345 PolarHBondContact O-N 2.68Å; D342-R345 WeakPolarHBondContact OD1-CD 3.48Å; D342-R345 IonicContact OD1-CZ 3.07Å; D342-R345 IonicContact OD1-NE 2.59Å; D342-R345 IonicContact OD1-NH1 2.7Å; D342-R345 PolarHBondContact OD1-NH1 2.91Å; D342-S346 VanDerWaalsContact O-CB 3.32Å; D342-S346 WeakPolarHBondContact O-CB 3.37Å; D342-S346 PolarHBondContact O-N 3.29Å
343G88.4Confident81.4Confident37 Ų3796.6 Ų96.638%0.38149%0.489SS..Hα-helixtrans-56.2-50.7162.800000112.3D339 S340 S346 T347D339-G343 PolarHBondContact O-N 3.45Å; S340-G343 PolarHBondContact O-N 2.96Å; G343-S346 WeakPolarHBondContact O-CB 3.32Å; G343-S346 PolarHBondContact O-N 3.39Å; G343-T347 PolarHBondContact O-N 3.08Å; G343-T347 VanDerWaalsContact O-N 3.12Å
344L83.8Confident80.5Confident108 Ų10899.4 Ų99.457%0.56550%0.497SS*.Hα-helixtrans-60.6-49.2176.3-72171.7000111.7S340 N341 S346 T347 L348S340-L344 WeakPolarHBondContact O-CG 3.34Å; S340-L344 PolarHBondContact O-N 3.39Å; N341-L344 WeakPolarHBondContact O-CB 3.47Å; N341-L344 PolarHBondContact O-N 3.22Å; L344-S346 VanDerWaalsContact C-N 3.31Å; L344-S346 PolarHBondContact O-N 3.23Å; L344-T347 PolarHBondContact O-N 2.88Å; L344-T347 PolarHBondContact O-OG1 2.96Å; L344-L348 PolarHBondContact O-N 3.03Å
345R80.9Confident79.1Confident159 Ų159104 Ų10460%0.651%0.509SS*.Hα-helixtrans-54.1-45.4174.9-74.3160164.3-178.6-4.6111.5N341 D342 T347 L348 E349N341-R345 VanDerWaalsContact O-CG 3.31Å; N341-R345 WeakPolarHBondContact O-CG 3.45Å; N341-R345 PolarHBondContact O-N 2.96Å; D342-R345 PolarHBondContact O-N 2.68Å; D342-R345 WeakPolarHBondContact OD1-CD 3.48Å; D342-R345 IonicContact OD1-CZ 3.07Å; D342-R345 IonicContact OD1-NE 2.59Å; D342-R345 IonicContact OD1-NH1 2.7Å; D342-R345 PolarHBondContact OD1-NH1 2.91Å; R345-T347 VanDerWaalsContact C-N 3.31Å; R345-T347 PolarHBondContact O-N 3.48Å; R345-L348 PolarHBondContact O-N 3.1Å; R345-L348 VanDerWaalsContact O-N 3.12Å; R345-E349 WeakPolarHBondContact O-CG 3.35Å; R345-E349 PolarHBondContact O-N 3.41Å
346S81.8Confident77.5Confident46 Ų46100.5 Ų100.532%0.32250%0.503SS..Hα-helixtrans-59.3-37.6176.3-170.10000112.9D342 G343 L344 K350D342-S346 VanDerWaalsContact O-CB 3.32Å; D342-S346 WeakPolarHBondContact O-CB 3.37Å; D342-S346 PolarHBondContact O-N 3.29Å; G343-S346 WeakPolarHBondContact O-CB 3.32Å; G343-S346 PolarHBondContact O-N 3.39Å; L344-S346 VanDerWaalsContact C-N 3.31Å; L344-S346 PolarHBondContact O-N 3.23Å; S346-K350 VanDerWaalsContact O-CD 3.22Å; S346-K350 WeakPolarHBondContact O-CD 3.25Å; S346-K350 VanDerWaalsContact O-CG 3.23Å; S346-K350 WeakPolarHBondContact O-CG 3.32Å; S346-K350 PolarHBondContact O-N 3.04Å; S346-K350 PolarHBondContact OG-NZ 3.46Å
347T81Confident75.8Confident72 Ų72103.3 Ų103.344%0.44251%0.51SS..Hα-helixtrans-71.4-39.4173.867.40000112.3G343 L344 R345 K350 I351G343-T347 PolarHBondContact O-N 3.08Å; G343-T347 VanDerWaalsContact O-N 3.12Å; L344-T347 PolarHBondContact O-N 2.88Å; L344-T347 PolarHBondContact O-OG1 2.96Å; R345-T347 VanDerWaalsContact C-N 3.31Å; R345-T347 PolarHBondContact O-N 3.48Å; T347-K350 WeakPolarHBondContact O-CB 3.39Å; T347-K350 PolarHBondContact O-N 3.49Å; T347-K350 VanDerWaalsContact O-N 3.16Å; T347-I351 WeakPolarHBondContact O-CG1 3.29Å; T347-I351 PolarHBondContact O-N 2.93Å
348L74.7Confident74.1Confident110 Ų110103.2 Ų103.258%0.57652%0.518SS*.Hα-helixtrans-68.9-38.3-178.2-150.2156.1000111.2L344 R345 I351 T352L344-L348 PolarHBondContact O-N 3.03Å; R345-L348 PolarHBondContact O-N 3.1Å; R345-L348 VanDerWaalsContact O-N 3.12Å; L348-I351 PolarHBondContact O-N 2.84Å; L348-T352 HydrophobicContact CD2-CG2 4.13Å; L348-T352 PolarHBondContact O-N 3.49Å; L348-T352 PolarHBondContact O-OG1 2.92Å
349E77.5Confident72.6Confident89 Ų89107.7 Ų107.742%0.41653%0.53SS..Hα-helixtrans-60.4-41168.2-74.4-158.7141.500113.3R345 I351 T352 R353R345-E349 WeakPolarHBondContact O-CG 3.35Å; R345-E349 PolarHBondContact O-N 3.41Å; E349-I351 VanDerWaalsContact C-N 3.29Å; E349-I351 PolarHBondContact O-N 3.37Å; E349-T352 WeakPolarHBondContact CA-OG1 3.19Å; E349-T352 PolarHBondContact O-N 3.31Å; E349-T352 PolarHBondContact O-OG1 3.39Å; E349-R353 VanDerWaalsContact O-CB 3.29Å; E349-R353 WeakPolarHBondContact O-CB 3.21Å; E349-R353 VanDerWaalsContact O-CG 3.25Å; E349-R353 WeakPolarHBondContact O-CG 3.35Å; E349-R353 PolarHBondContact O-N 2.86Å; E349-R353 IonicContact OE1-CZ 3.16Å; E349-R353 IonicContact OE1-NH2 2.84Å; E349-R353 PolarHBondContact OE1-NH2 2.83Å; E349-R353 IonicContact OE2-CZ 2.68Å; E349-R353 IonicContact OE2-NH1 2.64Å; E349-R353 PolarHBondContact OE2-NH1 3.42Å; E349-R353 IonicContact OE2-NH2 2.67Å; E349-R353 PolarHBondContact OE2-NH2 3.26Å
350K76Confident70.5Confident118 Ų118107.9 Ų107.951%0.51354%0.54SS..Hα-helixtrans-64.2-38.3177.2-72159.7-174150.80110.7S346 T347 N354S346-K350 VanDerWaalsContact O-CD 3.22Å; S346-K350 WeakPolarHBondContact O-CD 3.25Å; S346-K350 VanDerWaalsContact O-CG 3.23Å; S346-K350 WeakPolarHBondContact O-CG 3.32Å; S346-K350 PolarHBondContact O-N 3.04Å; S346-K350 PolarHBondContact OG-NZ 3.46Å; T347-K350 WeakPolarHBondContact O-CB 3.39Å; T347-K350 PolarHBondContact O-N 3.49Å; T347-K350 VanDerWaalsContact O-N 3.16Å; K350-N354 WeakPolarHBondContact O-CB 3.5Å; K350-N354 PolarHBondContact O-N 3.07Å; K350-N354 VanDerWaalsContact O-N 3.12Å
351I76.1Confident68.5Low111 Ų111111.4 Ų111.457%0.56955%0.551SS**Hα-helixtrans-66.8-46.6175.3-66.2165.4000111.2T347 L348 E349 N354 R355T347-I351 WeakPolarHBondContact O-CG1 3.29Å; T347-I351 PolarHBondContact O-N 2.93Å; L348-I351 PolarHBondContact O-N 2.84Å; E349-I351 VanDerWaalsContact C-N 3.29Å; E349-I351 PolarHBondContact O-N 3.37Å; I351-N354 PolarHBondContact O-N 3.31Å; I351-R355 WeakPolarHBondContact O-CB 3.05Å; I351-R355 PolarHBondContact O-N 3.03Å
352T68.8Low66Low61 Ų61112.5 Ų112.537%0.37456%0.564SS.*Hα-helixtrans-69.7-38.6179.654.20000112.8L348 E349 N354 R355 N356L348-T352 HydrophobicContact CD2-CG2 4.13Å; L348-T352 PolarHBondContact O-N 3.49Å; L348-T352 PolarHBondContact O-OG1 2.92Å; E349-T352 WeakPolarHBondContact CA-OG1 3.19Å; E349-T352 PolarHBondContact O-N 3.31Å; E349-T352 PolarHBondContact O-OG1 3.39Å; T352-N354 VanDerWaalsContact C-N 3.33Å; T352-N354 PolarHBondContact O-N 3.33Å; T352-R355 PolarHBondContact O-N 3.46Å; T352-N356 WeakPolarHBondContact O-CB 3.24Å; T352-N356 PolarHBondContact O-N 2.89Å
353R63.8Low63.3Low137 Ų137119.2 Ų119.252%0.51759%0.585SS.*Hα-helixtrans-60.5-40.9172.6-73.5178.1-175.9122.111.8111.8E349 R357E349-R353 VanDerWaalsContact O-CB 3.29Å; E349-R353 WeakPolarHBondContact O-CB 3.21Å; E349-R353 VanDerWaalsContact O-CG 3.25Å; E349-R353 WeakPolarHBondContact O-CG 3.35Å; E349-R353 PolarHBondContact O-N 2.86Å; E349-R353 IonicContact OE1-CZ 3.16Å; E349-R353 IonicContact OE1-NH2 2.84Å; E349-R353 PolarHBondContact OE1-NH2 2.83Å; E349-R353 IonicContact OE2-CZ 2.68Å; E349-R353 IonicContact OE2-NH1 2.64Å; E349-R353 PolarHBondContact OE2-NH1 3.42Å; E349-R353 IonicContact OE2-NH2 2.67Å; E349-R353 PolarHBondContact OE2-NH2 3.26Å; R353-R357 WeakPolarHBondContact O-CG 3.37Å; R353-R357 PolarHBondContact O-N 2.92Å; R353-R357 VanDerWaalsContact O-N 3.07Å
354N64.9Low61Low101 Ų101123 Ų12354%0.5460%0.603SS.*Hα-helixtrans-65.6-45.9172.4-79.4-10.5000112K350 I351 T352 N356 R357 S358K350-N354 WeakPolarHBondContact O-CB 3.5Å; K350-N354 PolarHBondContact O-N 3.07Å; K350-N354 VanDerWaalsContact O-N 3.12Å; I351-N354 PolarHBondContact O-N 3.31Å; T352-N354 VanDerWaalsContact C-N 3.33Å; T352-N354 PolarHBondContact O-N 3.33Å; N354-N356 VanDerWaalsContact C-N 3.3Å; N354-N356 PolarHBondContact O-N 3.29Å; N354-R357 WeakPolarHBondContact O-CB 3.18Å; N354-R357 PolarHBondContact O-N 2.73Å; N354-S358 PolarHBondContact O-N 2.8Å; N354-S358 PolarHBondContact O-OG 3.47Å
355R54.1Low58.5Low180 Ų180123.6 Ų123.668%0.67962%0.616SS**Hα-helixtrans-63.5-33-179.8-160.8175.6-169.7-178.63.2113.1I351 T352I351-R355 WeakPolarHBondContact O-CB 3.05Å; I351-R355 PolarHBondContact O-N 3.03Å; T352-R355 PolarHBondContact O-N 3.46Å
356N54.6Low57Low103 Ų103120.7 Ų120.755%0.55162%0.618SS**Hα-helixtrans-76.3-37.3174.8-73.7-4.4000112.2T352 N354 S358 R359T352-N356 WeakPolarHBondContact O-CB 3.24Å; T352-N356 PolarHBondContact O-N 2.89Å; N354-N356 VanDerWaalsContact C-N 3.3Å; N354-N356 PolarHBondContact O-N 3.29Å; N356-S358 VanDerWaalsContact C-N 3.27Å; N356-S358 PolarHBondContact O-N 2.69Å; N356-R359 PolarHBondContact O-N 3.31Å
357R52.5Low54.6Low192 Ų192127.3 Ų127.373%0.72564%0.644SS**Hα-helixtrans-56.8-41.1168.8-81.6179.3165.9176.3-4.7111.8R353 N354 R359 S360R353-R357 WeakPolarHBondContact O-CG 3.37Å; R353-R357 PolarHBondContact O-N 2.92Å; R353-R357 VanDerWaalsContact O-N 3.07Å; N354-R357 WeakPolarHBondContact O-CB 3.18Å; N354-R357 PolarHBondContact O-N 2.73Å; R357-R359 PolarHBondContact O-N 2.68Å; R357-S360 PolarHBondContact O-N 3.06Å
358S49.2Very low52.2Low103 Ų103127.8 Ų127.872%0.7265%0.654SS**THydrogen-bonded Turntrans-66.1-12.7175.3-56.30000115.2N354 N356N354-S358 PolarHBondContact O-N 2.8Å; N354-S358 PolarHBondContact O-OG 3.47Å; N356-S358 VanDerWaalsContact C-N 3.27Å; N356-S358 PolarHBondContact O-N 2.69Å
359R45.9Very low50.2Low207 Ų207130.1 Ų130.178%0.78167%0.667SS**THydrogen-bonded Turntrans-96.6-7.6176.8-81.7-178.6160.8-178.3-7.4114.1N356 R357 I361N356-R359 PolarHBondContact O-N 3.31Å; R357-R359 PolarHBondContact O-N 2.68Å; R359-I361 VanDerWaalsContact C-N 3.34Å; R359-I361 PolarHBondContact O-N 3.2Å
360S42.6Very low48Very low102 Ų102132.9 Ų132.971%0.71368%0.684SS**SBendtrans-87.413.6-169-167.50000115.4R357R357-S360 PolarHBondContact O-N 3.06Å
361I47.6Very low45.7Very low145 Ų145133.3 Ų133.374%0.74469%0.691SS**  trans-137.489.6-171.7-51.2178.1000111R359R359-I361 VanDerWaalsContact C-N 3.34Å; R359-I361 PolarHBondContact O-N 3.2Å
362C33.8Very low43.5Very low104 Ų104137.7 Ų137.770%0.70370%0.701SS**  trans-179.8130.6147.2-99.60000115
363Y32.4Very low41.6Very low218 Ų218139.8 Ų139.886%0.85572%0.718SS**  trans61.3138.5154.9-59-63.2000123.4
364P38.7Very low39.9Very low116 Ų116136.6 Ų136.675%0.75373%0.728SS**  trans-118.5138.3174.739-27.5000116.3
365S32.4Very low39.3Very low121 Ų121137.6 Ų137.685%0.84674%0.74SS**  trans59.2177.2154.5-1180000118.7
366P47.9Very low38.1Very low99 Ų99139.2 Ų139.264%0.64375%0.746SS**  cis-126.9162.8-19.438.6-24.7000114
367H31.6Very low36.9Very low185 Ų185142.1 Ų142.186%0.85676%0.758SS**  177.6155.2123.4-109.2-83.9000112
368A31.9Very low35.9Very low81 Ų81139.9 Ų139.967%0.66976%0.76SS**  trans-124.7157.2170.900000110.2
369L31.1Very low35.8Very low159 Ų159139.9 Ų139.983%0.83276%0.758SS**  170.6154.1129.4-95.6171.8000114.2
370L32.4Very low35.1Very low147 Ų147141.9 Ų141.977%0.7777%0.766SS**  trans72.1130.4166.3-60160.3000117.2
371D28.1Very low34.5Very low127 Ų127141 Ų14168%0.67977%0.772SS**  76.3136.959.7-129.124.8000111.7
372R30.3Very low33.6Very low204 Ų204140.8 Ų140.877%0.7778%0.778SS**  cis-166.7156.812.5-157.3173-161.1-158.71.2112.2
373S28.8Very low34.1Very low105 Ų105140.8 Ų140.873%0.73478%0.777SS**  trans44.6126.4150.358.50000123
374G26.5Very low34Very low70 Ų70139.5 Ų139.572%0.72278%0.778SS**  trans-86.8-147.1149.200000111.8
375P52.1Low33.4Very low121 Ų121144 Ų14479%0.78678%0.782SS**  cis-137.9-168.2-8.333.9-11.3000113.8
376R28.8Very low33.7Very low215 Ų215143.6 Ų143.681%0.81178%0.776SS**  trans126.9124.6143.2-73.7-168.2173.9-159.8-2.8120.2
377M30.4Very low32.9Very low163 Ų163150.5 Ų150.580%0.80379%0.789SS**  trans85.3121.9136.7-64.9-69.5174.400123.1
378D32.1Very low32.7Very low145 Ų145153 Ų15378%0.77579%0.791SS**  trans-52.5178.1151.3-75.2-71.6000115
379P46.6Very low33.1Very low104 Ų104154.8 Ų154.868%0.67580%0.796SS**  cis-146.8167.120.640-18.5000121.1
380R31.8Very low33Very low249 Ų249151.8 Ų151.894%0.9479%0.788SS**  trans62.9124.3149.4-71.5167.1-169.1-123.61.9120.6
381G29.4Very low32.8Very low83 Ų83149.8 Ų149.886%0.85679%0.786SS**  trans173.5103.615900000115.7
382T28.9Very low32.9Very low140 Ų140150.3 Ų150.386%0.85979%0.788SS**  trans-108171.3168.423.60000110.7
383P43.3Very low32.9Very low105 Ų105146.2 Ų146.268%0.68279%0.786SS**  cis-127.7176.3-22.738.8-24.7000112.6
384H30.5Very low32.9Very low190 Ų190149.1 Ų149.188%0.8879%0.793SS**  trans-178.1137.7139.1-108-72.7000115.2
385Y26.8Very low33.2Very low212 Ų212151 Ų15183%0.83180%0.801SS**  trans-82.3168.9154.8-79.6-81.9000109.8
386P39.4Very low32.3Very low112 Ų112153.7 Ų153.773%0.72781%0.808SS**  cis-148.1162.425.441.7-22000119.8
387R29.4Very low32.4Very low244 Ų244147.6 Ų147.692%0.92180%0.803SS**  178.5142.9122.1-101.9175.4173180-2.8114.4
388R29.2Very low32.3Very low238 Ų238147.2 Ų147.290%0.89880%0.803SS**  trans-94.5177.9160.6-97.1-173.1178.7-158.20.5109.1
389P39.8Very low32.3Very low118 Ų118146.1 Ų146.177%0.76681%0.805SS**  cis-123.7-161.512.645.7-29.4000112.3
390S28.6Very low31.8Very low96 Ų96148.8 Ų148.867%0.67181%0.814SS**  cis-161.8155.614.348.90000112.5
391C29.2Very low32.5Very low105 Ų105143.1 Ų143.171%0.70981%0.809SS**  trans63.8150.9159.3-63.60000118.2
392D28.2Very low32.6Very low137 Ų137142.5 Ų142.573%0.73380%0.803SS**  cis-161.6165-15.7-103.7-19.9000111.2
393T31.1Very low32.7Very low118 Ų118144.3 Ų144.372%0.72481%0.807SS**  trans65.4106.2154.5-54.10000121.9
394L30Very low31.9Very low167 Ų167144.7 Ų144.787%0.87480%0.795SS**  trans33.6126.9134.3-52.7174.1000122.7
395A31.9Very low31.9Very low108 Ų108142.3 Ų142.389%0.89378%0.778SS**  179.7166.6123.800000112.9
396L32.3Very low31.9Very low179 Ų179143.5 Ų143.594%0.93778%0.781SS**  trans-121.3148.3-174.4-74.2159.9000113.5
397A31.2Very low31.3Very low87 Ų87147.5 Ų147.572%0.71979%0.789SS**  trans162124147.300000108.9
398I28.8Very low31.1Very low155 Ų155140.8 Ų140.880%0.79578%0.78SS**  59.4103.570.8-56171.1000110.5
399C31.2Very low30.8Very low121 Ų121134.3 Ų134.382%0.81877%0.771SS**  cis89.8102.646.6-64.30000114.7
400D37.6Very low30.1Very low160 Ų160137 Ų13786%0.85677%0.774SS**  trans-74.9163.1148.6-66.8-59.8000109.8
401P46Very low29.9Very low130 Ų130137.6 Ų137.684%0.84478%0.776SS**  -155.9148.2100.137.3-18.3000118.6
402G31.4Very low29.8Very low71 Ų71140.5 Ų140.573%0.73278%0.779SS**  trans101.3173.4138.900000118.7
403L31Very low29.7Very low178 Ų178142.9 Ų142.993%0.93279%0.786SS**  cis-157.2175.6-22.1-126.9161.5000110.4
404R27.7Very low29.7Very low113 Ų113144.3 Ų144.343%0.42679%0.789SS.*  trans-97.6133.6-167.8-88.9177.2156.5-166.6-1.5115.2E99 D100E99-R404 PolarHBondContact O-NH2 2.61Å; D100-R404 IonicContact OD2-CZ 2.64Å; D100-R404 IonicContact OD2-NE 2.67Å; D100-R404 IonicContact OD2-NH1 3.43Å; D100-R404 PolarHBondContact OD2-NH1 2.88Å; D100-R404 IonicContact OD2-NH2 2.7Å
405R30.1Very low29.6Very low139 Ų139141.5 Ų141.553%0.52578%0.784SS.*  trans50.4125.3140.9-66.5-167.2-89-151-0.4119.9Y97Y97-R405 HydrophobicContact CE1-CG 4.21Å; Y97-R405 VanDerWaalsContact CE1-NH1 3.29Å; Y97-R405 WeakPolarHBondContact OH-CD 3.49Å
406R27Very low29.5Very low238 Ų238144.8 Ų144.890%0.89879%0.785SS**  -172.4150.695.1-107.2178.3-77.2-166.6-1.7114.3
407H26.2Very low30Very low196 Ų196141.7 Ų141.791%0.90778%0.776SS**  trans-146.6154.9161.3-89.2-76.6000109.8
408S23.9Very low30.4Very low103 Ų103146.1 Ų146.172%0.7278%0.782SS**  trans-166.1145.7163.453.60000109.9
409S23.5Very low30.8Very low102 Ų102144.6 Ų144.671%0.71377%0.774SS**  trans60.1145.2168.549.50000118
410E24.7Very low30.8Very low175 Ų175147.7 Ų147.782%0.81877%0.769SS**  cis-173.6159.3-18.8-114.7154.9177.400108.2
411C25.4Very low30.3Very low107 Ų107146.7 Ų146.772%0.72377%0.769SS**  trans62.7167.6165.1-69.60000118
412E26.8Very low29.4Very low166 Ų166147.5 Ų147.578%0.77677%0.766SS**  cis-160.8156.3-39.8-113.6166.9165.700109.9
413E26.5Very low29.3Very low187 Ų187149.3 Ų149.387%0.87477%0.768SS**  trans62.7164.1160.3-64.1-167151.500123.1
414D30.7Very low29.3Very low149 Ų149144.9 Ų144.980%0.79777%0.765SS**  trans-57.9151.7-164.1-69.7-43.1000118.7
415S27Very low29.6Very low108 Ų108147.8 Ų147.876%0.75579%0.785SS**  166.898.7112.2-73.40000116.4
416L30.4Very low29.7Very low176 Ų176146.5 Ų146.592%0.92180%0.798SS**  trans50.9-161.3154.8-66.5174.9000116.4
417P42.1Very low29.9Very low114 Ų114141.8 Ų141.874%0.7480%0.796SS**  cis-113.3179.1-47.517.83.4000113.1
418E39.9Very low30Very low181 Ų181140 Ų14085%0.84679%0.792SS**  trans-69.3154.5162.1-51.1171124.800111.7
419I37Very low30.5Very low122 Ų122146.6 Ų146.663%0.62680%0.801SS**  trans-174.1122132.3-98.5152.7000113
420Y32.8Very low30.7Very low186 Ų186145.1 Ų145.173%0.72980%0.802SS**  trans41.1138.8144.5-68.8-105.8000124
421V26.6Very low30.9Very low139 Ų139142.6 Ų142.684%0.84280%0.803SS**  trans-85151.8141.4-69.50000110.4
422D27Very low31Very low147 Ų147146.8 Ų146.879%0.78681%0.812SS**  trans-117.3158.6176.5-166.716.4000111
423S29.6Very low31Very low109 Ų109142.9 Ų142.976%0.76282%0.816SS**  trans-120.2120.2-178.5-73.30000111.4
424G31.3Very low30.9Very low85 Ų85137.8 Ų137.888%0.87681%0.814SS**PPolyproline II helixtrans-67.2162.8-178.200000115.3
425M32.6Very low30.7Very low174 Ų174141.7 Ų141.786%0.85782%0.819SS**PPolyproline II helixtrans-97.2162.1-175-70.5-179.558.500114.3
426S33.3Very low30.7Very low112 Ų112143.8 Ų143.878%0.78382%0.822SS**PPolyproline II helixtrans-87.4157.3163.2-43.90000112.4
427T30.9Very low30.4Very low139 Ų139145.7 Ų145.785%0.85382%0.817SS**  trans-140.1154.316946.40000111.8
428L28.1Very low29.7Very low158 Ų158147.8 Ų147.883%0.82782%0.817SS**  trans-149.9146.2-175.1-109.7176.6000113.1
429R33.7Very low29.6Very low242 Ų242144.9 Ų144.991%0.91381%0.814SS**  trans70.4143.3173.6-52.7175.6-176.6-114.5-0.9116.1
430G28.1Very low29.1Very low71 Ų71146.5 Ų146.573%0.73282%0.819SS**  cis129.2150.9-10.200000115
431S29.5Very low28.8Very low122 Ų122144.6 Ų144.685%0.85383%0.826SS**  trans-167.7137.8163.5-88.20000116.7
432H27.3Very low28.7Very low196 Ų196146.5 Ų146.591%0.90783%0.826SS**  trans23.2133.5153.5-78.9-66.2000124.7
433G26.6Very low28.6Very low83 Ų83143.2 Ų143.286%0.85683%0.827SS**  150.6112.612400000117.6
434G25.4Very low28.5Very low81 Ų81146 Ų14684%0.83583%0.828SS**  trans149130.7163.800000116.3
435Y26.2Very low28.2Very low231 Ų231148.8 Ų148.891%0.90682%0.822SS**  trans-118.8141161.4-75.8-102.9000107.5
436D25.8Very low27.8Very low151 Ų151143.9 Ų143.981%0.80782%0.817SS**  -175.5-169.3127.7-116.614.7000113.1
437W25.1Very low27.5Very low217 Ų217148 Ų14882%0.82282%0.823SS**  trans-89.9158.3-150.2-6478.3000118.8
438E27.9Very low27.2Very low157 Ų157150.9 Ų150.973%0.73483%0.827SS**  trans-10.7156.6136.7-102.7177.9-142.500119.2
439P37.4Very low27.1Very low120 Ų120152.1 Ų152.178%0.77983%0.829SS**  -150.9-177.162.142.8-22.2000119.6
440E25.2Very low26.7Very low156 Ų156146.1 Ų146.173%0.72981%0.811SS**  trans-51.1151.7-178.9-49.516610100118.1
441V26.6Very low26.6Very low147 Ų147150.3 Ų150.389%0.89181%0.81SS**  trans-143.1134.7144.5-179.30000110.2
442Q25.5Very low26.5Very low179 Ų179152.7 Ų152.784%0.83680%0.804SS**  trans-94.9149.9172.5-65.3173-28.100111.4
443G25.4Very low26.3Very low78 Ų78150.4 Ų150.480%0.80480%0.799SS**  trans-172.550.2-175.200000120
444Q26.2Very low26.4Very low168 Ų168150.6 Ų150.679%0.78579%0.787SS**  trans16.6146.9144.1-89-169.9-96.400125.8
445D25.4Very low26.5Very low142 Ų142154 Ų15476%0.75979%0.785SS**  trans90.8143.1140.3-60.3-8.6000123.7
446G25.3Very low26.6Very low72 Ų72150.4 Ų150.474%0.74278%0.78SS**  trans92.797.2169.100000115.2
447E25.2Very low26.7Very low197 Ų197145.8 Ų145.892%0.92177%0.768SS**  62.7108.252.2-64.4-163.1159.200116.4
448E25.9Very low26.8Very low200 Ų200145 Ų14594%0.93577%0.774SS**  -162.8162.4128.2-115.4179.5-158.500111.7
449E25.7Very low26.7Very low184 Ų184142.6 Ų142.686%0.8677%0.774SS**  trans-92.7-172.5-170.6-55.1-172.7107.200112.7
450E25.9Very low26.3Very low117 Ų117141.4 Ų141.455%0.54777%0.769SS.*  cis-168.117722.6-151.7-147.6154.100112.8
451K25.5Very low26.5Very low159 Ų159141.7 Ų141.769%0.69178%0.775SS**  trans84.390.8161.4-63.1-174.1177.565.50121.4
452K26.5Very low26.7Very low171 Ų171141.2 Ų141.274%0.74377%0.773SS**  31.1135.6106-65.4169.4-177.2151.50118
453D24Very low26.8Very low148 Ų148141.1 Ų141.179%0.79177%0.772SS**  -152.3125.177.7-105.4-19.1000117.9
454S27.9Very low27.3Very low87 Ų87143.2 Ų143.261%0.60877%0.772SS**  trans45.3140.7135.173.60000125.5
455I27Very low27.4Very low154 Ų154139.3 Ų139.379%0.7977%0.768SS**  trans74.7133.9145.1-76.4165.8000116.5
456L29.4Very low27.6Very low155 Ų155141.5 Ų141.581%0.81277%0.774SS**  cis-155.7165.2-9.4-102.9171000107
457G27.7Very low27.9Very low54 Ų54144.9 Ų144.956%0.55778%0.78SS**  cis143.4105.9-9.700000114.6
458E26.3Very low28Very low200 Ų200143.6 Ų143.694%0.93578%0.775SS**  trans62.4174161.1-48.3-175.3130.900116.2
459S26Very low28.2Very low106 Ų106141.8 Ų141.874%0.74177%0.771SS**  cis-154.7175.71.396.70000107.9
460S29.6Very low28.4Very low96 Ų96136.4 Ų136.467%0.67177%0.765SS**  cis-175.8155.6-16.6460000108.5
461D29.6Very low28.5Very low161 Ų161139.6 Ų139.686%0.86178%0.78SS**  trans-64.4160.2175.6-57.3-83.1000115
462T29.8Very low28.8Very low138 Ų138137.1 Ų137.185%0.84778%0.783SS**  trans-160.5127.9156.3-20.70000112.6
463E28.2Very low29Very low176 Ų176133.1 Ų133.182%0.82278%0.782SS**  trans-82.2167159.9-60.1-16514000111
464P36.5Very low29.2Very low122 Ų122134.8 Ų134.879%0.79279%0.788SS**  -155.6156.291.639.3-20.1000118.7
465A28.2Very low29.1Very low86 Ų86134 Ų13471%0.71180%0.795SS**  trans66.1111.2138.500000123.6
466E28.7Very low29.3Very low188 Ų188132.4 Ų132.488%0.87980%0.797SS**  trans29.8132.3131.6-57.5-171.715000123.2
467T31.9Very low29.4Very low143 Ų143132 Ų13288%0.87780%0.795SS**  -155.8164.2129-10.50000112.2
468Q28.8Very low29.2Very low171 Ų171135.5 Ų135.580%0.79981%0.81SS**  trans-77.5167.6-175.5-66.2152.2-28.900111.8
469D28.4Very low29.4Very low162 Ų162131.5 Ų131.587%0.86680%0.804SS**  cis-155.9168.239-92.2-57.3000113.3
470G29.8Very low29.6Very low70 Ų70131.7 Ų131.772%0.72281%0.806SS**  trans111.993.1139.800000120.3
471E29.3Very low29.6Very low184 Ų184133 Ų13386%0.8681%0.809SS**  trans27.6109.7147.5-62.4-174.2130.400119.7
472S32.4Very low29.7Very low108 Ų108133.7 Ų133.776%0.75581%0.812SS**  73.9143.171.187.30000115.5
473A29.6Very low29.6Very low87 Ų87133.1 Ų133.172%0.71980%0.804SS**  cis-165.8155.3-17.900000110.2
474I29.3Very low29.6Very low182 Ų182136.9 Ų136.993%0.93381%0.811SS**  trans174.2129.1134.4-90.3155.3000107.6
475G25.9Very low29Very low72 Ų72138.9 Ų138.974%0.74281%0.807SS**  trans-162.3158.9165.700000109.1
476S29.8Very low29Very low120 Ų120141 Ų14184%0.83981%0.813SS**  trans-177129.3150.3-166.90000108.9
477D31.1Very low28.9Very low145 Ų145136.4 Ų136.478%0.77580%0.798SS**  trans-67.5160.2154.2-57.4-74.7000110.2
478C25.1Very low28.7Very low129 Ų129136.4 Ų136.487%0.87279%0.793SS**  -174.2146.3123-98.20000112
479S29.4Very low28.5Very low115 Ų115133 Ų13380%0.80479%0.788SS**  trans-89.8141.6164.5175.70000110
480S30.9Very low28.4Very low111 Ų111133.7 Ų133.778%0.77679%0.791SS**  trans-161111.5151.235.90000113.7
481V29Very low28.3Very low122 Ų122134.3 Ų134.374%0.73980%0.797SS**  23.7121.5128.2-177.30000118.1
482L32.7Very low28.1Very low177 Ų177130.1 Ų130.193%0.92779%0.794SS**  -144.3133.8122.8-96.7-173.5000110.9
483D27.7Very low27.7Very low125 Ų125132 Ų13267%0.66880%0.8SS**  trans-97.4162179.8-160.5-6.9000109.9
484W26.4Very low27.4Very low256 Ų256133.8 Ų133.897%0.9780%0.803SS**  trans-164.8120.3152.2-11433.6000112.3
485K24.1Very low27.9Very low163 Ų163130.2 Ų130.271%0.70979%0.791SS**  trans-82.4164.4176-84178.2163.7-173.10113T487K485-T487 HydrophobicContact CD-CG2 4.1Å
486P28Very low27.7Very low131 Ų131132.5 Ų132.585%0.85180%0.796SS**  -121.5142.8125.813.55000111.7
487T26.7Very low27.4Very low91 Ų91131 Ų13156%0.55879%0.791SS**  trans-116.2136173.338.10000110.9K485K485-T487 HydrophobicContact CD-CG2 4.1Å
488D27.4Very low27.8Very low144 Ų144129 Ų12977%0.7779%0.786SS**  trans43.3135.2142.4-44.4-44.2000119.3
489S26.1Very low27.9Very low98 Ų98129 Ų12969%0.68578%0.782SS**  179.1161.359.842.90000113.7
490L26.3Very low27.7Very low177 Ų177128.2 Ų128.293%0.92777%0.772SS**  trans65.5129153.4-68.6157.9000120.3
491G26.2Very low27.6Very low84 Ų84131.7 Ų131.787%0.86677%0.774SS**  trans150.186.8163.300000114.5
492A25.4Very low27.5Very low96 Ų96134.5 Ų134.579%0.79378%0.776SS**  trans-98.4149.3176.100000112.3
493V24.8Very low27Very low146 Ų146130.7 Ų130.789%0.88576%0.76SS**  trans163.3145.9145.3152.20000110.2
494T24.1Very low27Very low126 Ų126131.6 Ų131.677%0.77376%0.764SS**  trans-104.5-178177.760.40000110.1
495P38.4Very low27Very low106 Ų106125.3 Ų125.369%0.68876%0.758SS**  cis-137.9-164.30.543.3-24.8000114.9
496S22.5Very low27.1Very low120 Ų120123.6 Ų123.684%0.83976%0.762SS**  trans93.2154.2149.978.30000120.5
497A23.7Very low27.1Very low89 Ų89124.8 Ų124.874%0.73676%0.759SS**  trans-106.8-150.8-173.200000109.5
498P39.2Very low27.4Very low103 Ų103126.1 Ų126.167%0.66977%0.772SS**  cis-145.6166.518.544.1-24000119.1
499T26.5Very low27.5Very low130 Ų130123 Ų12380%0.79877%0.766SS**  trans65.7152.7152.660.10000118.7
500T26.1Very low27.5Very low97 Ų97125.1 Ų125.160%0.59577%0.766SS**  cis-155.2149.736.851.10000114.2
501K28.7Very low27.6Very low185 Ų185124 Ų12480%0.80476%0.76SS**  trans58139.1140.7-63.2159.4-166.5167.60117.6
502K26.7Very low27.7Very low181 Ų181126.1 Ų126.179%0.78775%0.752SS**  cis-167.7177.816-123.1179.1159.5-160.80106.6
503T22.8Very low27.9Very low96 Ų96128.4 Ų128.459%0.58975%0.751SS**  cis-161.3150.411.8-10.20000110.9
504I26.2Very low28.4Very low145 Ų145130.8 Ų130.874%0.74475%0.749SS**  trans57.6121.6146.3-65.5159.1000121V506I504-V506 HydrophobicContact CG2-CG2 4.29Å
505S26.6Very low28.8Very low123 Ų123133.6 Ų133.686%0.8675%0.753SS**  trans-136.5128.1153.7-52.10000108.7
506V26.4Very low28.2Very low128 Ų128136.8 Ų136.878%0.77677%0.765SS**  trans-158.8134-174.1172.40000106.7I504I504-V506 HydrophobicContact CG2-CG2 4.29Å
507I28.8Very low28.7Very low155 Ų155135.2 Ų135.280%0.79576%0.759SS**  cis-123.7149.511-52.2171.8000110.5
508S33.6Very low29.3Very low119 Ų119138.5 Ų138.583%0.83276%0.764SS**  trans-139.4143.6150.456.30000110.6
509A27.9Very low29.1Very low79 Ų79142 Ų14265%0.65378%0.776SS**  trans-173.9141.7170.800000108.2
510Q27.1Very low29.1Very low143 Ų143138 Ų13867%0.66876%0.761SS**  cis-152.8141.3-5.6-114.9166.4-71.100108.6D512Q510-D512 PolarHBondContact NE2-OD1 2.99Å; Q510-D512 PolarHBondContact NE2-OD2 3.27Å
511N28.4Very low29.6Very low152 Ų152143.4 Ų143.481%0.81377%0.773SS**  trans-104.6121.8151-77.119.3000105.8
512D28.5Very low29.7Very low130 Ų130142.4 Ų142.470%0.69577%0.772SS**  trans-110.195.3172-73.3-22.6000108.8Q510Q510-D512 PolarHBondContact NE2-OD1 2.99Å; Q510-D512 PolarHBondContact NE2-OD2 3.27Å
513D29.9Very low30.5Very low143 Ų143139.1 Ų139.177%0.76577%0.768SS**  trans-99.9100.1171.1-87.8-53.9000110.2
514K35.5Very low31.5Very low196 Ų196138 Ų13885%0.85276%0.764SS**  171.1162.6126.1-95.8169.9-177.9-177.70114.5
515E31.1Very low33.1Very low185 Ų185140 Ų14086%0.86477%0.77SS**  trans66.275.2167.3-71.4174.4-146.600116.4
516N27.1Very low35.5Very low173 Ų173137.7 Ų137.793%0.92575%0.745SS**  -134.2147120.9-129.4-23.8000109.9
517A32.5Very low38.3Very low88 Ų88132.8 Ų132.873%0.72772%0.717SS**  trans-100.9163.8-170.700000112.7
518D36.8Very low41.3Very low157 Ų157126 Ų12684%0.8468%0.682SS**  trans58.391157.8-162.420.6000117.1
519L33.5Very low44Very low176 Ų176123.6 Ų123.692%0.92165%0.654SS**  trans-142.494.7155.1-164.270.4000111.7
520G27.3Very low47Very low47 Ų47119.9 Ų119.949%0.48562%0.624SS.*  trans41.1103.3148.400000118.9M522G520-M522 PolarHBondContact O-N 2.89Å
521Y35.8Very low50.1Low211 Ų211113.2 Ų113.283%0.82759%0.593SS**  trans-63.192.4164-155.3-89.2000109.8T523Y521-T523 HydrophobicContact CD1-CG2 3.81Å; Y521-T523 HydrophobicContact CE1-CG2 4.11Å; Y521-T523 PolarHBondContact O-N 3.34Å
522M32.3Very low53.1Low163 Ų163106 Ų10680%0.80355%0.554SS**  trans-86.5103.6177.3-73.6-68.396.100110.2G520 S524G520-M522 PolarHBondContact O-N 2.89Å; M522-S524 PolarHBondContact O-N 3.09Å
523T41.5Very low56Low113 Ų11399.9 Ų99.969%0.69352%0.521SS*.  trans-76.8115.8-17850.30000111.6Y521Y521-T523 HydrophobicContact CD1-CG2 3.81Å; Y521-T523 HydrophobicContact CE1-CG2 4.11Å; Y521-T523 PolarHBondContact O-N 3.34Å
524S45.8Very low58.8Low71 Ų7193 Ų9350%0.49749%0.485SS..  trans-147.693.8153.9-166.50000110M522 K526M522-S524 PolarHBondContact O-N 3.09Å; S524-K526 PolarHBondContact O-N 2.95Å
525E59Low61.3Low187 Ų18784.9 Ų84.987%0.87445%0.451SS*.  trans-83.311.1171.5-59.7-176143.700111.5A527E525-A527 PolarHBondContact O-N 3.37Å
526K75.9Confident63.9Low76 Ų7679.7 Ų79.733%0.3343%0.431SS..  trans-72.9120.8-174.6-152.6171.6-170.4-179.40110.2S524 D696 E700S524-K526 PolarHBondContact O-N 2.95Å; K526-D696 WeakPolarHBondContact CD-OD2 3.4Å; K526-D696 WeakPolarHBondContact CE-OD2 3.49Å; K526-D696 IonicContact NZ-OD1 2.79Å; K526-D696 PolarHBondContact NZ-OD1 2.96Å; K526-D696 IonicContact NZ-OD2 3.27Å; K526-D696 PolarHBondContact NZ-OD2 3.24Å; K526-E700 IonicContact NZ-OE1 3.1Å; K526-E700 PolarHBondContact NZ-OE1 3.29Å
527A86.1Confident66.6Low25 Ų2574.9 Ų74.921%0.20742%0.415CS..EExtended strand (participates in β ladder)trans-108114.1-176.500000111E525 L579 Q581E525-A527 PolarHBondContact O-N 3.37Å; A527-L579 CarbonylContact C-O 3.55Å; A527-L579 VanDerWaalsContact CA-O 3.3Å; A527-L579 WeakPolarHBondContact CA-O 3.41Å; A527-L579 HydrophobicContact CB-CB 4.21Å; A527-L579 HydrophobicContact CB-CD2 3.98Å; A527-L579 HydrophobicContact CB-CG 3.95Å; A527-Q581 HydrophobicContact CB-CG 4.31Å
528Y90.8Very high69.3Low12 Ų1270.7 Ų70.75%0.04738%0.381CS..EExtended strand (participates in β ladder)trans-88.6132.2-173.6-58.7-87.2000112.2V578 L579 L580 Q581 D603 V692 I693 D696Y528-V578 HydrophobicContact CD2-CG1 3.5Å; Y528-V578 HydrophobicContact CE2-CG1 3.64Å; Y528-L579 PolarHBondContact N-O 3.44Å; Y528-L580 WeakPolarHBondContact O-CA 3.43Å; Y528-Q581 PolarHBondContact O-N 3.11Å; Y528-D603 WeakPolarHBondContact CA-OD2 3.3Å; Y528-D603 HydrophobicContact CD1-CB 4.21Å; Y528-V692 HydrophobicContact CD1-CG1 3.4Å; Y528-V692 VanDerWaalsContact CD1-CG1 3.4Å; Y528-V692 HydrophobicContact CE1-CG1 3.94Å; Y528-V692 HydrophobicContact CG-CG1 4.05Å; Y528-I693 HydrophobicContact CE2-CG1 3.92Å; Y528-D696 HydrophobicContact CE1-CB 4.12Å; Y528-D696 PolarHBondContact OH-OD2 2.86Å
529R91Very high71.7Confident68 Ų6863.8 Ų63.826%0.25735%0.347SS..EExtended strand (participates in β ladder)trans-89.7108.7-176.3-70.1175170.9-178-1.9111.5Q581 R601 D603 G604R529-Q581 WeakPolarHBondContact CA-O 3.44Å; R529-Q581 HydrophobicContact CG-CB 3.92Å; R529-R601 WeakPolarHBondContact CB-O 3.47Å; R529-R601 WeakPolarHBondContact CD-O 3.47Å; R529-D603 WeakPolarHBondContact CB-OD2 3.35Å; R529-D603 PolarHBondContact N-OD2 3.21Å; R529-D603 PolarHBondContact O-N 2.98Å; R529-G604 PolarHBondContact O-N 3.27Å; R529-G604 VanDerWaalsContact O-N 3.15Å
530I92.1Very high74.4Confident2 Ų255.8 Ų55.81%0.0131%0.305CS..EExtended strand (participates in β ladder)trans-107.9113.4177.9-54-56.6000109.1L580 Q581 L582 W583 G604 L606 L688 V692I530-L580 HydrophobicContact CG1-CD2 4.29Å; I530-Q581 PolarHBondContact N-O 3.05Å; I530-L582 HydrophobicContact CB-CD2 4.08Å; I530-L582 HydrophobicContact CG2-CD2 4.2Å; I530-L582 WeakPolarHBondContact O-CA 3.35Å; I530-W583 PolarHBondContact O-N 3.27Å; I530-G604 WeakPolarHBondContact CA-O 3.47Å; I530-L606 HydrophobicContact CG2-CD1 3.59Å; I530-L606 HydrophobicContact CG2-CG 3.76Å; I530-L688 HydrophobicContact CD1-CD2 4.05Å; I530-L688 HydrophobicContact CD1-CG 4.3Å; I530-L688 HydrophobicContact CG2-CD2 3.72Å; I530-V692 HydrophobicContact CD1-CG2 4.17Å
531V91.5Very high77.2Confident3 Ų355.2 Ų55.22%0.01829%0.293CS..EExtended strand (participates in β ladder)trans-97.3134.1-179.9-176.60000110.4W583 T585 F599 A602 G604 V605 L606V531-W583 HydrophobicContact CG2-CB 4.3Å; V531-T585 HydrophobicContact CG1-CG2 3.77Å; V531-F599 HydrophobicContact CB-CD1 4.37Å; V531-F599 HydrophobicContact CB-CE1 4.34Å; V531-F599 HydrophobicContact CG1-CD1 4.08Å; V531-F599 HydrophobicContact CG1-CE1 3.72Å; V531-A602 HydrophobicContact CB-CB 4.42Å; V531-A602 HydrophobicContact CG2-CB 3.67Å; V531-G604 PolarHBondContact N-O 3.13Å; V531-G604 VanDerWaalsContact N-O 3.1Å; V531-V605 WeakPolarHBondContact O-CA 3.42Å; V531-L606 PolarHBondContact O-N 3.13Å
532L91.2Very high79.7Confident1 Ų146.3 Ų46.31%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-92.4117.4174.1-70.178.1000109.8K540 F543 L544 L582 W583 T585 L606L532-K540 HydrophobicContact CB-CB 4.39Å; L532-K540 HydrophobicContact CB-CD 4.3Å; L532-K540 HydrophobicContact CD2-CB 4.27Å; L532-F543 HydrophobicContact CD2-CD1 4.17Å; L532-L544 HydrophobicContact CD2-CB 4.25Å; L532-L582 HydrophobicContact CD1-CD2 4.43Å; L532-W583 WeakPolarHBondContact CD1-O 3.44Å; L532-W583 PolarHBondContact N-O 2.98Å; L532-T585 PolarHBondContact O-OG1 3.33Å; L532-L606 WeakPolarHBondContact CA-O 3.26Å; L532-L606 HydrophobicContact CD1-CD1 4.23Å; L532-L606 HydrophobicContact CG-CB 4.22Å; L532-L606 HydrophobicContact CG-CD1 4.13Å
533A89.9Confident82.5Confident0 Ų038.5 Ų38.50%022%0.224CC..EExtended strand (participates in β ladder)trans-115.1165.9-179.100000112F599 V605 L606 L607 L608 W623A533-F599 HydrophobicContact CB-CE1 3.97Å; A533-F599 HydrophobicContact CB-CZ 3.9Å; A533-V605 HydrophobicContact CB-CG1 3.85Å; A533-L606 PolarHBondContact N-O 2.89Å; A533-L607 HydrophobicContact CB-CD1 3.99Å; A533-L608 PolarHBondContact O-N 2.87Å; A533-W623 HydrophobicContact CB-CE3 4.41Å
534G89.1Confident84.9Confident0 Ų033.2 Ų33.20%019%0.191CC..EExtended strand (participates in β ladder)trans123.7175.9177.400000114K540G534-K540 PolarHBondContact O-NZ 3.3Å
535D87.1Confident86.9Confident25 Ų2531.3 Ų31.313%0.13418%0.175CC..  trans-65.2166.8-171.4-88.826.1000115.1V538 K540 T616 N619 W623D535-V538 HydrophobicContact CB-CG1 3.76Å; D535-V538 VanDerWaalsContact O-CG2 3.3Å; D535-V538 WeakPolarHBondContact O-CG2 3.47Å; D535-K540 PolarHBondContact O-NZ 3.09Å; D535-K540 VanDerWaalsContact O-NZ 3.13Å; D535-T616 HydrophobicContact CB-CG2 3.9Å; D535-N619 PolarHBondContact OD2-ND2 2.65Å; D535-W623 PolarHBondContact OD1-NE1 2.82Å
536V84.8Confident88.4Confident75 Ų7524.7 Ų24.746%0.45514%0.142SC..THydrogen-bonded Turntrans-60.4137.3173.2-175.50000110.3V538 E589 R590V536-V538 PolarHBondContact O-N 2.8Å; V536-E589 VanDerWaalsContact CA-OE1 3.27Å; V536-E589 WeakPolarHBondContact CA-OE1 3.43Å; V536-E589 HydrophobicContact CG2-CG 3.58Å; V536-E589 PolarHBondContact N-OE1 3.35Å; V536-R590 HydrophobicContact CG2-CG 4.09Å
537A84.6Confident89Confident72 Ų7221.9 Ų21.960%0.59513%0.13SC*.THydrogen-bonded Turntrans61.913.5176.800000116.9G539 K643A537-G539 PolarHBondContact O-N 3.07Å; A537-K643 WeakPolarHBondContact O-CE 3.26Å; A537-K643 PolarHBondContact O-NZ 3.01Å
538V89.2Confident89.1Confident1 Ų121.5 Ų21.51%0.00613%0.126CC..SBendtrans-65.5-18.6168.2-57.20000113D535 V536 K540 L608 D610 T616 N642 K643D535-V538 HydrophobicContact CB-CG1 3.76Å; D535-V538 VanDerWaalsContact O-CG2 3.3Å; D535-V538 WeakPolarHBondContact O-CG2 3.47Å; V536-V538 PolarHBondContact O-N 2.8Å; V538-K540 HydrophobicContact CG2-CG 3.78Å; V538-L608 HydrophobicContact CB-CB 4.49Å; V538-L608 HydrophobicContact CG2-CB 3.72Å; V538-D610 HydrophobicContact CG1-CB 4.38Å; V538-T616 HydrophobicContact CG1-CG2 3.92Å; V538-N642 PolarHBondContact O-ND2 3.29Å; V538-K643 WeakPolarHBondContact O-CE 3.46Å
539G87.9Confident88.7Confident12 Ų1227 Ų2712%0.12415%0.15CC..  trans103.128.2173.300000115.8A537 S542 F543A537-G539 PolarHBondContact O-N 3.07Å; G539-S542 WeakPolarHBondContact O-CB 3.34Å; G539-S542 PolarHBondContact O-N 3.5Å; G539-F543 PolarHBondContact O-N 3.39Å
540K89.4Confident88.4Confident7 Ų729.3 Ų29.33%0.0317%0.168CC..Hα-helixtrans-51-55.7177.2-57.2-172.5-71.7-82.20112.8L532 G534 D535 V538 S542 F543 L544 D584 E589 L608L532-K540 HydrophobicContact CB-CB 4.39Å; L532-K540 HydrophobicContact CB-CD 4.3Å; L532-K540 HydrophobicContact CD2-CB 4.27Å; G534-K540 PolarHBondContact O-NZ 3.3Å; D535-K540 PolarHBondContact O-NZ 3.09Å; D535-K540 VanDerWaalsContact O-NZ 3.13Å; V538-K540 HydrophobicContact CG2-CG 3.78Å; K540-S542 VanDerWaalsContact C-N 3.29Å; K540-S542 PolarHBondContact O-N 3.02Å; K540-F543 WeakPolarHBondContact O-CB 3.4Å; K540-F543 PolarHBondContact O-N 3.37Å; K540-F543 VanDerWaalsContact O-N 3.08Å; K540-L544 PolarHBondContact O-N 3.39Å; K540-D584 WeakPolarHBondContact CB-OD1 3.49Å; K540-E589 IonicContact NZ-OE1 2.74Å; K540-E589 PolarHBondContact NZ-OE1 3.05Å; K540-L608 HydrophobicContact CG-CB 4.44Å; K540-L608 HydrophobicContact CG-CD2 4.3Å
541S86.6Confident88Confident35 Ų3533 Ų3325%0.24519%0.185CC..Hα-helixtrans-61.1-36.1177.9-33.40000112.9L544 L545 D584 A586S541-L544 PolarHBondContact O-N 3.02Å; S541-L545 VanDerWaalsContact O-CB 3.23Å; S541-L545 WeakPolarHBondContact O-CB 3.39Å; S541-L545 PolarHBondContact O-N 2.97Å; S541-D584 WeakPolarHBondContact CA-OD2 3.41Å; S541-D584 WeakPolarHBondContact CB-OD2 3.27Å; S541-D584 PolarHBondContact N-OD2 2.96Å; S541-D584 VanDerWaalsContact N-OD2 3.13Å; S541-D584 PolarHBondContact OG-OD2 3.06Å; S541-A586 WeakPolarHBondContact OG-CB 3.29Å
542S88.9Confident87.6Confident24 Ų2435.9 Ų35.917%0.16820%0.198CC..Hα-helixtrans-69-34.9176.2-470000112.4G539 K540 R546G539-S542 WeakPolarHBondContact O-CB 3.34Å; G539-S542 PolarHBondContact O-N 3.5Å; K540-S542 VanDerWaalsContact C-N 3.29Å; K540-S542 PolarHBondContact O-N 3.02Å; S542-R546 VanDerWaalsContact O-CB 3.29Å; S542-R546 WeakPolarHBondContact O-CB 3.49Å; S542-R546 PolarHBondContact O-N 3.02Å; S542-R546 VanDerWaalsContact O-N 3.14Å
543F90.8Very high86.9Confident0 Ų041.2 Ų41.20%022%0.221CC..Hα-helixtrans-67.6-46.6173.7-177.7-79.9000110.6L532 G539 K540 R546 L547 L606 L608 V640 T673 I681 A684 V685L532-F543 HydrophobicContact CD2-CD1 4.17Å; G539-F543 PolarHBondContact O-N 3.39Å; K540-F543 WeakPolarHBondContact O-CB 3.4Å; K540-F543 PolarHBondContact O-N 3.37Å; K540-F543 VanDerWaalsContact O-N 3.08Å; F543-R546 PolarHBondContact O-N 3.22Å; F543-L547 WeakPolarHBondContact O-CB 3.38Å; F543-L547 PolarHBondContact O-N 3.16Å; F543-L606 HydrophobicContact CE1-CD1 4.1Å; F543-L608 HydrophobicContact CB-CD2 3.96Å; F543-L608 HydrophobicContact CD2-CD2 4.25Å; F543-L608 HydrophobicContact CG-CD2 4.14Å; F543-V640 HydrophobicContact CE2-CG1 4.03Å; F543-T673 HydrophobicContact CE2-CG2 4.16Å; F543-I681 HydrophobicContact CD1-CG2 4.3Å; F543-I681 HydrophobicContact CD2-CG1 4.07Å; F543-I681 HydrophobicContact CD2-CG2 4.18Å; F543-I681 HydrophobicContact CE1-CG2 3.97Å; F543-I681 HydrophobicContact CE2-CB 4.15Å; F543-I681 HydrophobicContact CE2-CG1 3.94Å; F543-I681 HydrophobicContact CE2-CG2 3.85Å; F543-I681 HydrophobicContact CG-CG2 4.39Å; F543-I681 HydrophobicContact CZ-CB 4.37Å; F543-I681 HydrophobicContact CZ-CG2 3.74Å; F543-A684 HydrophobicContact CZ-CB 4.47Å; F543-V685 HydrophobicContact CE1-CG2 3.8Å; F543-V685 HydrophobicContact CZ-CG2 3.98Å
544L90.6Very high85.6Confident1 Ų147.9 Ų47.91%0.00526%0.255CS..Hα-helixtrans-62.5-48.4177.3-177.558.4000112L532 K540 S541 R546 L547 C548 Q567 L582 D584L532-L544 HydrophobicContact CD2-CB 4.25Å; K540-L544 PolarHBondContact O-N 3.39Å; S541-L544 PolarHBondContact O-N 3.02Å; L544-R546 VanDerWaalsContact C-N 3.27Å; L544-R546 PolarHBondContact O-N 3Å; L544-L547 PolarHBondContact O-N 3.18Å; L544-C548 WeakPolarHBondContact O-CB 3.45Å; L544-C548 PolarHBondContact O-N 2.82Å; L544-Q567 HydrophobicContact CD1-CB 4.29Å; L544-Q567 HydrophobicContact CD2-CB 4.39Å; L544-L582 HydrophobicContact CD1-CB 3.63Å; L544-L582 HydrophobicContact CD1-CD1 3.84Å; L544-L582 HydrophobicContact CD1-CG 4.2Å; L544-D584 HydrophobicContact CD2-CB 3.79Å
545L88.8Confident83.9Confident32 Ų3254.8 Ų54.817%0.16829%0.292CS..Hα-helixtrans-55.8-42.7176.1-179.665.9000111.8S541 K549 N550 E551 K553S541-L545 VanDerWaalsContact O-CB 3.23Å; S541-L545 WeakPolarHBondContact O-CB 3.39Å; S541-L545 PolarHBondContact O-N 2.97Å; L545-K549 HydrophobicContact CD1-CB 4.27Å; L545-K549 HydrophobicContact CD1-CD 3.85Å; L545-K549 HydrophobicContact CD1-CG 4.23Å; L545-K549 PolarHBondContact O-N 3.01Å; L545-N550 PolarHBondContact O-N 2.91Å; L545-E551 HydrophobicContact CD1-CB 4.24Å; L545-E551 HydrophobicContact CD2-CB 4.23Å; L545-E551 HydrophobicContact CG-CB 4Å; L545-K553 HydrophobicContact CD2-CD 4.28Å; L545-K553 HydrophobicContact CD2-CG 4.16Å
546R90.3Very high82.1Confident47 Ų4756.6 Ų56.618%0.17731%0.307CS..Hα-helixtrans-71.4-40178.6179.462.286.31784112.3S542 F543 L544 N550 E551 F552 A675 K676 I681S542-R546 VanDerWaalsContact O-CB 3.29Å; S542-R546 WeakPolarHBondContact O-CB 3.49Å; S542-R546 PolarHBondContact O-N 3.02Å; S542-R546 VanDerWaalsContact O-N 3.14Å; F543-R546 PolarHBondContact O-N 3.22Å; L544-R546 VanDerWaalsContact C-N 3.27Å; L544-R546 PolarHBondContact O-N 3Å; R546-N550 VanDerWaalsContact CD-OD1 3.28Å; R546-N550 WeakPolarHBondContact CD-OD1 3.27Å; R546-N550 PolarHBondContact NH1-O 2.72Å; R546-N550 PolarHBondContact NH1-OD1 2.83Å; R546-N550 WeakPolarHBondContact O-CA 3.26Å; R546-N550 PolarHBondContact O-N 3.42Å; R546-N550 VanDerWaalsContact O-N 3.11Å; R546-E551 VanDerWaalsContact CA-O 3.29Å; R546-E551 WeakPolarHBondContact CA-O 3.48Å; R546-E551 WeakPolarHBondContact CB-O 3.44Å; R546-E551 PolarHBondContact N-O 3.39Å; R546-F552 VanDerWaalsContact NH2-CB 3.34Å; R546-A675 PolarHBondContact NE-O 2.81Å; R546-K676 PolarHBondContact NH2-O 3.11Å; R546-I681 HydrophobicContact CB-CD1 3.91Å; R546-I681 HydrophobicContact CG-CD1 3.27Å
547L89.2Confident80.1Confident17 Ų1757.9 Ų57.99%0.08932%0.32CS..Hα-helixtrans-61.2-42.8174.6175.467000112.1F543 L544 K569 L582 I681 L682 V685F543-L547 WeakPolarHBondContact O-CB 3.38Å; F543-L547 PolarHBondContact O-N 3.16Å; L544-L547 PolarHBondContact O-N 3.18Å; L547-K569 WeakPolarHBondContact O-CE 3.42Å; L547-L582 HydrophobicContact CD2-CD1 3.68Å; L547-L582 HydrophobicContact CD2-CD2 3.96Å; L547-L582 HydrophobicContact CD2-CG 4.49Å; L547-I681 HydrophobicContact CB-CG2 3.9Å; L547-I681 HydrophobicContact CD1-CG2 4.19Å; L547-L682 HydrophobicContact CD1-CD1 4.36Å; L547-V685 HydrophobicContact CD1-CB 4.31Å; L547-V685 HydrophobicContact CD1-CG2 3.97Å; L547-V685 HydrophobicContact CD2-CG1 4.32Å; L547-V685 HydrophobicContact CD2-CG2 3.79Å
548C86.8Confident78Confident18 Ų1859.3 Ų59.312%0.12232%0.321CS..Hα-helixtrans-92.4-46.6-169.1-700000113.8L544 Q567 K569L544-C548 WeakPolarHBondContact O-CB 3.45Å; L544-C548 PolarHBondContact O-N 2.82Å; C548-Q567 HydrophobicContact CB-CG 4.05Å; C548-Q567 PolarHBondContact SG-OE1 3.44Å; C548-K569 PolarHBondContact O-NZ 2.87Å
549K83.3Confident75.9Confident127 Ų12762.1 Ų62.155%0.55234%0.338SS*.Hα-helixtrans-103.1-9.5-178.2-57.5-168.6-174.9179.20114.1L545 E551L545-K549 HydrophobicContact CD1-CB 4.27Å; L545-K549 HydrophobicContact CD1-CD 3.85Å; L545-K549 HydrophobicContact CD1-CG 4.23Å; L545-K549 PolarHBondContact O-N 3.01Å; K549-E551 HydrophobicContact CB-CB 4.36Å; K549-E551 HydrophobicContact CB-CG 4.21Å; K549-E551 PolarHBondContact O-N 3.15Å
550N85.2Confident73.6Confident116 Ų11668.5 Ų68.562%0.6237%0.369SS*.  trans55.732.6-168.4-162.112.8000113.8L545 R546L545-N550 PolarHBondContact O-N 2.91Å; R546-N550 VanDerWaalsContact CD-OD1 3.28Å; R546-N550 WeakPolarHBondContact CD-OD1 3.27Å; R546-N550 PolarHBondContact NH1-O 2.72Å; R546-N550 PolarHBondContact NH1-OD1 2.83Å; R546-N550 WeakPolarHBondContact O-CA 3.26Å; R546-N550 PolarHBondContact O-N 3.42Å; R546-N550 VanDerWaalsContact O-N 3.11Å
551E83.4Confident71.2Confident79 Ų7973.5 Ų73.537%0.36940%0.399SS..  trans-104.4156.7174.2-76177.8-146.500111.5L545 R546 K549 K553L545-E551 HydrophobicContact CD1-CB 4.24Å; L545-E551 HydrophobicContact CD2-CB 4.23Å; L545-E551 HydrophobicContact CG-CB 4Å; R546-E551 VanDerWaalsContact CA-O 3.29Å; R546-E551 WeakPolarHBondContact CA-O 3.48Å; R546-E551 WeakPolarHBondContact CB-O 3.44Å; R546-E551 PolarHBondContact N-O 3.39Å; K549-E551 HydrophobicContact CB-CB 4.36Å; K549-E551 HydrophobicContact CB-CG 4.21Å; K549-E551 PolarHBondContact O-N 3.15Å; E551-K553 WeakPolarHBondContact OE2-CE 3.03Å; E551-K553 IonicContact OE2-NZ 2.68Å; E551-K553 PolarHBondContact OE2-NZ 3.3Å
552F82.4Confident69Low65 Ų6578.2 Ų78.229%0.28543%0.432SS..  trans-140.2131.4164.4174.6-98.6000109.5R546 L554 A675 K676R546-F552 VanDerWaalsContact NH2-CB 3.34Å; F552-L554 HydrophobicContact CE1-CB 3.99Å; F552-L554 HydrophobicContact CE1-CD1 3.98Å; F552-L554 HydrophobicContact CZ-CD1 4.36Å; F552-A675 HydrophobicContact CD2-CB 4.16Å; F552-A675 WeakPolarHBondContact CD2-O 3.47Å; F552-A675 HydrophobicContact CE2-CB 4.24Å; F552-K676 HydrophobicContact CD1-CB 4.23Å; F552-K676 HydrophobicContact CD1-CG 4.21Å; F552-K676 HydrophobicContact CD2-CB 4.32Å; F552-K676 HydrophobicContact CE1-CB 3.96Å; F552-K676 HydrophobicContact CE1-CG 3.91Å; F552-K676 HydrophobicContact CE2-CB 4.06Å; F552-K676 HydrophobicContact CG-CB 4.41Å; F552-K676 HydrophobicContact CZ-CB 3.87Å; F552-K676 HydrophobicContact CZ-CG 4.27Å
553K77.8Confident67.2Low113 Ų11379.4 Ų79.449%0.49145%0.449SS..  trans-113.9103.4179.7-65.4-178.3-175.9-1790108.6L545 E551 N555 S556L545-K553 HydrophobicContact CD2-CD 4.28Å; L545-K553 HydrophobicContact CD2-CG 4.16Å; E551-K553 WeakPolarHBondContact OE2-CE 3.03Å; E551-K553 IonicContact OE2-NZ 2.68Å; E551-K553 PolarHBondContact OE2-NZ 3.3Å; K553-N555 PolarHBondContact O-N 2.94Å; K553-S556 PolarHBondContact O-N 3.02Å; K553-S556 VanDerWaalsContact O-N 3.11Å; K553-S556 PolarHBondContact O-OG 2.98Å
554L62.8Low65.7Low139 Ų13980.9 Ų80.973%0.72846%0.458SS*.THydrogen-bonded Turntrans-57.7-33.6179.2-175.368000111.9F552F552-L554 HydrophobicContact CE1-CB 3.99Å; F552-L554 HydrophobicContact CE1-CD1 3.98Å; F552-L554 HydrophobicContact CZ-CD1 4.36Å
555N52.9Low64.7Low145 Ų14585 Ų8578%0.77548%0.48SS*.THydrogen-bonded Turntrans-101.534.8-179.8-55.910.4000111.3K553 S557K553-N555 PolarHBondContact O-N 2.94Å; N555-S557 VanDerWaalsContact C-N 3.35Å; N555-S557 PolarHBondContact O-N 3.12Å
556S49.3Very low64.3Low63 Ų6387.8 Ų87.844%0.44149%0.491SS..  trans-58.8101.5163-810000108.3K553 T558K553-S556 PolarHBondContact O-N 3.02Å; K553-S556 VanDerWaalsContact O-N 3.11Å; K553-S556 PolarHBondContact O-OG 2.98Å; S556-T558 PolarHBondContact O-N 3.06Å
557S42Very low64Low103 Ų10387.5 Ų87.572%0.7249%0.491SS*.  trans-51.2135.9163.236.90000108.3N555 T559N555-S557 VanDerWaalsContact C-N 3.35Å; N555-S557 PolarHBondContact O-N 3.12Å; S557-T559 PolarHBondContact O-N 3.48Å; S557-T559 VanDerWaalsContact O-N 3.14Å
558T40.5Very low63.9Low102 Ų10290.8 Ų90.863%0.62651%0.507SS*.  trans-46.1124.9172.7-53.50000108.4S556 L560S556-T558 PolarHBondContact O-N 3.06Å; T558-L560 VanDerWaalsContact C-N 3.25Å; T558-L560 PolarHBondContact O-N 3.49Å
559T44.3Very low63.8Low59 Ų5992.9 Ų92.936%0.36251%0.514SS..  trans-64.883.5-170.2-44.20000111.3S557 V561S557-T559 PolarHBondContact O-N 3.48Å; S557-T559 VanDerWaalsContact O-N 3.14Å; T559-V561 HydrophobicContact CG2-CB 4.08Å; T559-V561 HydrophobicContact CG2-CG2 4.46Å; T559-V561 PolarHBondContact O-N 3.43Å
560L41.5Very low64Low147 Ų14791.1 Ų91.177%0.7751%0.514SS*.  trans-88.244.2169.3-65.3175.2000109.2T558T558-L560 VanDerWaalsContact C-N 3.25Å; T558-L560 PolarHBondContact O-N 3.49Å
561V38.8Very low64.2Low111 Ų11186.4 Ų86.467%0.67349%0.489SS*.SBendtrans-119.3128.3174.2-1770000105.8T559 G563T559-V561 HydrophobicContact CG2-CB 4.08Å; T559-V561 HydrophobicContact CG2-CG2 4.46Å; T559-V561 PolarHBondContact O-N 3.43Å; V561-G563 PolarHBondContact O-N 3.07Å; V561-G563 VanDerWaalsContact O-N 3.16Å
562S40.6Very low64.4Low134 Ų13488.6 Ų88.694%0.93750%0.502SS*.SBendtrans-75.4104.5-174.3-168.20000110.6
563G50.1Low64.6Low50 Ų5085.8 Ų85.852%0.51549%0.49SS..SBendtrans165.3147.9174.400000113.2V561V561-G563 PolarHBondContact O-N 3.07Å; V561-G563 VanDerWaalsContact O-N 3.16Å
564V58.5Low64.9Low31 Ų3185.3 Ų85.319%0.18849%0.493CS..  trans-81.2122.3162171.40000106.7W583 D584 Y598V564-W583 HydrophobicContact CG1-CB 4.35Å; V564-W583 HydrophobicContact CG1-CE3 3.98Å; V564-D584 WeakPolarHBondContact CA-O 3.44Å; V564-D584 WeakPolarHBondContact CG1-O 3.33Å; V564-Y598 HydrophobicContact CB-CE1 4.47Å; V564-Y598 HydrophobicContact CG1-CE1 4.4Å; V564-Y598 HydrophobicContact CG2-CE1 3.97Å; V564-Y598 HydrophobicContact CG2-CE2 4.3Å
565D70.3Confident65.7Low87 Ų8781.7 Ų81.747%0.46549%0.489SS..EExtended strand (participates in β ladder)trans-74.6134.5178.8-165.14.8000109.4D584D565-D584 HydrophobicContact CB-CB 4.32Å; D565-D584 PolarHBondContact N-O 3.42Å; D565-D584 PolarHBondContact O-N 2.73Å
566F80.3Confident67.2Low91 Ų9180.3 Ų80.340%0.39948%0.478SS..EExtended strand (participates in β ladder)trans-126.8125.3-172.2170.2-100.1000110M568 Q581 L582 W583F566-M568 HydrophobicContact CE1-CG 4.08Å; F566-M568 HydrophobicContact CE1-SD 4.24Å; F566-M568 HydrophobicContact CE2-SD 4.37Å; F566-M568 HydrophobicContact CZ-CG 4.07Å; F566-M568 HydrophobicContact CZ-SD 3.62Å; F566-Q581 HydrophobicContact CE2-CB 4.03Å; F566-Q581 HydrophobicContact CE2-CG 3.97Å; F566-Q581 HydrophobicContact CZ-CG 4.1Å; F566-L582 WeakPolarHBondContact CA-O 3.33Å; F566-W583 AromaticContact CD2-CD2 3.76Å; F566-W583 HydrophobicContact CD2-CD2 3.76Å; F566-W583 AromaticContact CD2-CE2 3.58Å; F566-W583 HydrophobicContact CD2-CE3 4.02Å; F566-W583 HydrophobicContact CD2-CG 4.34Å; F566-W583 AromaticContact CD2-CH2 3.99Å; F566-W583 HydrophobicContact CD2-CH2 3.99Å; F566-W583 AromaticContact CD2-CZ2 3.71Å; F566-W583 HydrophobicContact CD2-CZ2 3.71Å; F566-W583 HydrophobicContact CD2-CZ3 4.14Å; F566-W583 HydrophobicContact CE2-CD2 4.36Å; F566-W583 AromaticContact CE2-CE2 3.71Å; F566-W583 HydrophobicContact CE2-CH2 4.27Å; F566-W583 AromaticContact CE2-CZ2 3.67Å; F566-W583 HydrophobicContact CE2-CZ2 3.67Å; F566-W583 AromaticContact CE2-NE1 3.93Å
567Q84.3Confident68.8Low40 Ų4081.9 Ų81.919%0.18749%0.486CS..EExtended strand (participates in β ladder)trans-142.7132.5-173.6-158.5149.568.700113.4L544 C548 L582L544-Q567 HydrophobicContact CD1-CB 4.29Å; L544-Q567 HydrophobicContact CD2-CB 4.39Å; C548-Q567 HydrophobicContact CB-CG 4.05Å; C548-Q567 PolarHBondContact SG-OE1 3.44Å; Q567-L582 PolarHBondContact N-O 3.36Å; Q567-L582 WeakPolarHBondContact O-CB 3.17Å; Q567-L582 PolarHBondContact O-N 2.96Å
568M86.6Confident71Confident86 Ų8677.5 Ų77.542%0.42446%0.455SS..EExtended strand (participates in β ladder)trans-91.2132.7176.5-64.6-63.9-95.800110.6F566 L579 L580 Q581F566-M568 HydrophobicContact CE1-CG 4.08Å; F566-M568 HydrophobicContact CE1-SD 4.24Å; F566-M568 HydrophobicContact CE2-SD 4.37Å; F566-M568 HydrophobicContact CZ-CG 4.07Å; F566-M568 HydrophobicContact CZ-SD 3.62Å; M568-L579 HydrophobicContact CE-CD1 3.93Å; M568-L579 HydrophobicContact CE-CD2 3.71Å; M568-L579 HydrophobicContact CE-CG 3.84Å; M568-L580 WeakPolarHBondContact CA-O 3.44Å; M568-Q581 HydrophobicContact CE-CG 3.95Å; M568-Q581 HydrophobicContact SD-CB 4.25Å; M568-Q581 HydrophobicContact SD-CG 3.38Å; M568-Q581 WeakPolarHBondContact SD-CG 3.37Å
569K86.1Confident73.4Confident63 Ų6375.2 Ų75.227%0.27444%0.439SS..EExtended strand (participates in β ladder)trans-143.6115.3175.9-165.870.8168.6-179.40110.8L547 C548 L571 L580 L582L547-K569 WeakPolarHBondContact O-CE 3.42Å; C548-K569 PolarHBondContact O-NZ 2.87Å; K569-L571 HydrophobicContact CG-CD2 4Å; K569-L571 HydrophobicContact CG-CG 4.39Å; K569-L580 PolarHBondContact N-O 3.33Å; K569-L580 WeakPolarHBondContact O-CB 3.44Å; K569-L580 PolarHBondContact O-N 3.04Å; K569-L582 HydrophobicContact CB-CD1 3.71Å
570T87.4Confident75.6Confident89 Ų8972.4 Ų72.455%0.54642%0.422SS..EExtended strand (participates in β ladder)trans-79.7128168.5-41.60000109.5P577 V578T570-P577 HydrophobicContact CG2-CB 4.19Å; T570-V578 CarbonylContact C-O 3.55Å; T570-V578 VanDerWaalsContact CA-O 3.31Å; T570-V578 WeakPolarHBondContact CA-O 3.31Å
571L87.9Confident78Confident17 Ų1766.9 Ų66.99%0.08939%0.392CS..EExtended strand (participates in β ladder)trans-122146.1172.5-62.4-175.1000109.6K569 V573 V578 L580 L682 V685K569-L571 HydrophobicContact CG-CD2 4Å; K569-L571 HydrophobicContact CG-CG 4.39Å; L571-V573 HydrophobicContact CB-CG2 4.41Å; L571-V578 PolarHBondContact N-O 2.88Å; L571-V578 PolarHBondContact O-N 3.18Å; L571-L580 HydrophobicContact CD1-CD1 3.74Å; L571-L580 HydrophobicContact CG-CD1 4.22Å; L571-L682 HydrophobicContact CD1-CD1 4.12Å; L571-L682 HydrophobicContact CD2-CD1 3.87Å; L571-V685 HydrophobicContact CD1-CB 4.49Å; L571-V685 HydrophobicContact CD1-CG1 3.77Å
572I87.6Confident80.5Confident126 Ų12661.6 Ų61.665%0.64636%0.36SS*.EExtended strand (participates in β ladder)trans-87.2115.9173.1-59.5172.5000107.9E576I572-E576 CarbonylContact C-O 3.56Å; I572-E576 WeakPolarHBondContact CA-O 3.36Å
573V86.5Confident82.8Confident6 Ų658.3 Ų58.34%0.03633%0.327CS..EExtended strand (participates in β ladder)trans-116.9116.7-177.4-173.70000108.9L571 G575 E576 V578 A689 R690 I693L571-V573 HydrophobicContact CB-CG2 4.41Å; V573-G575 PolarHBondContact O-N 2.83Å; V573-E576 PolarHBondContact N-O 3.23Å; V573-E576 PolarHBondContact O-N 3.45Å; V573-V578 HydrophobicContact CB-CG2 4.09Å; V573-V578 HydrophobicContact CG2-CB 4.13Å; V573-V578 HydrophobicContact CG2-CG2 4.18Å; V573-A689 HydrophobicContact CG2-CB 4.11Å; V573-R690 HydrophobicContact CG1-CB 4.43Å; V573-R690 HydrophobicContact CG1-CG 3.49Å; V573-R690 VanDerWaalsContact CG1-CG 3.49Å; V573-I693 HydrophobicContact CB-CD1 3.99Å; V573-I693 HydrophobicContact CG1-CD1 3.74Å; V573-I693 HydrophobicContact CG2-CD1 4.35Å
574D84.1Confident84.5Confident103 Ų10356 Ų5655%0.55130%0.303SS*.THydrogen-bonded Turntrans52.614.3-179.9-64.6-21.3000116.3R690D574-R690 IonicContact OD1-CZ 3.58Å; D574-R690 IonicContact OD1-NE 3.87Å; D574-R690 PolarHBondContact OD1-NE 3.03Å; D574-R690 IonicContact OD1-NH2 2.76Å; D574-R690 PolarHBondContact OD1-NH2 3.05Å; D574-R690 IonicContact OD2-NE 3.48Å; D574-R690 PolarHBondContact OD2-NE 3.47Å
575G79.9Confident85.3Confident62 Ų6254.5 Ų54.564%0.63929%0.294SS*.THydrogen-bonded Turntrans124-20.8178.200000113.6V573V573-G575 PolarHBondContact O-N 2.83Å
576E84.1Confident84.9Confident117 Ų11751 Ų5155%0.54728%0.277SS..EExtended strand (participates in β ladder)trans-100.3140.6-173.8-64.8177.9174.500111.5I572 V573 V578I572-E576 CarbonylContact C-O 3.56Å; I572-E576 WeakPolarHBondContact CA-O 3.36Å; V573-E576 PolarHBondContact N-O 3.23Å; V573-E576 PolarHBondContact O-N 3.45Å; E576-V578 PolarHBondContact O-N 2.91Å
577P83.8Confident83.7Confident95 Ų9547.7 Ų47.762%0.61727%0.268SS*.EExtended strand (participates in β ladder)trans-78.9113.7175.531.3-32000110.3T570T570-P577 HydrophobicContact CG2-CB 4.19Å
578V87.9Confident82.4Confident12 Ų1247.6 Ų47.67%0.07327%0.268CS..EExtended strand (participates in β ladder)trans-113129.3-175.4177.10000110.4Y528 T570 L571 V573 E576 L580 I693Y528-V578 HydrophobicContact CD2-CG1 3.5Å; Y528-V578 HydrophobicContact CE2-CG1 3.64Å; T570-V578 CarbonylContact C-O 3.55Å; T570-V578 VanDerWaalsContact CA-O 3.31Å; T570-V578 WeakPolarHBondContact CA-O 3.31Å; L571-V578 PolarHBondContact N-O 2.88Å; L571-V578 PolarHBondContact O-N 3.18Å; V573-V578 HydrophobicContact CB-CG2 4.09Å; V573-V578 HydrophobicContact CG2-CB 4.13Å; V573-V578 HydrophobicContact CG2-CG2 4.18Å; E576-V578 PolarHBondContact O-N 2.91Å; V578-L580 HydrophobicContact CG1-CD2 4.04Å; V578-I693 HydrophobicContact CB-CD1 4.48Å; V578-I693 HydrophobicContact CG1-CD1 4.17Å; V578-I693 HydrophobicContact CG2-CD1 3.78Å
579L90.4Very high81.3Confident53 Ų5344.2 Ų44.228%0.27725%0.251SS..EExtended strand (participates in β ladder)trans-91122.5-179.4-175.453.7000110.7A527 Y528 M568A527-L579 CarbonylContact C-O 3.55Å; A527-L579 VanDerWaalsContact CA-O 3.3Å; A527-L579 WeakPolarHBondContact CA-O 3.41Å; A527-L579 HydrophobicContact CB-CB 4.21Å; A527-L579 HydrophobicContact CB-CD2 3.98Å; A527-L579 HydrophobicContact CB-CG 3.95Å; Y528-L579 PolarHBondContact N-O 3.44Å; M568-L579 HydrophobicContact CE-CD1 3.93Å; M568-L579 HydrophobicContact CE-CD2 3.71Å; M568-L579 HydrophobicContact CE-CG 3.84Å
580L91.3Very high80Confident1 Ų148.4 Ų48.41%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-107.9128.6177.1-55.7-177.9000111.2Y528 I530 M568 K569 L571 V578 L582 V685 A689Y528-L580 WeakPolarHBondContact O-CA 3.43Å; I530-L580 HydrophobicContact CG1-CD2 4.29Å; M568-L580 WeakPolarHBondContact CA-O 3.44Å; K569-L580 PolarHBondContact N-O 3.33Å; K569-L580 WeakPolarHBondContact O-CB 3.44Å; K569-L580 PolarHBondContact O-N 3.04Å; L571-L580 HydrophobicContact CD1-CD1 3.74Å; L571-L580 HydrophobicContact CG-CD1 4.22Å; V578-L580 HydrophobicContact CG1-CD2 4.04Å; L580-L582 HydrophobicContact CB-CG 4.43Å; L580-V685 HydrophobicContact CD1-CG1 3.65Å; L580-A689 HydrophobicContact CD1-CB 4.39Å; L580-A689 HydrophobicContact CD2-CB 4.28Å
581Q92.1Very high78.8Confident31 Ų3149.4 Ų49.415%0.14526%0.262CS..EExtended strand (participates in β ladder)trans-91.6102.2167.5-79.917531.500108.2A527 Y528 R529 I530 F566 M568A527-Q581 HydrophobicContact CB-CG 4.31Å; Y528-Q581 PolarHBondContact O-N 3.11Å; R529-Q581 WeakPolarHBondContact CA-O 3.44Å; R529-Q581 HydrophobicContact CG-CB 3.92Å; I530-Q581 PolarHBondContact N-O 3.05Å; F566-Q581 HydrophobicContact CE2-CB 4.03Å; F566-Q581 HydrophobicContact CE2-CG 3.97Å; F566-Q581 HydrophobicContact CZ-CG 4.1Å; M568-Q581 HydrophobicContact CE-CG 3.95Å; M568-Q581 HydrophobicContact SD-CB 4.25Å; M568-Q581 HydrophobicContact SD-CG 3.38Å; M568-Q581 WeakPolarHBondContact SD-CG 3.37Å
582L90.7Very high77.8Confident0 Ų053.6 Ų53.60%028%0.277CS..EExtended strand (participates in β ladder)trans-96.5126.5-177.9-64.2149.7000110.2I530 L532 L544 L547 F566 Q567 K569 L580I530-L582 HydrophobicContact CB-CD2 4.08Å; I530-L582 HydrophobicContact CG2-CD2 4.2Å; I530-L582 WeakPolarHBondContact O-CA 3.35Å; L532-L582 HydrophobicContact CD1-CD2 4.43Å; L544-L582 HydrophobicContact CD1-CB 3.63Å; L544-L582 HydrophobicContact CD1-CD1 3.84Å; L544-L582 HydrophobicContact CD1-CG 4.2Å; L547-L582 HydrophobicContact CD2-CD1 3.68Å; L547-L582 HydrophobicContact CD2-CD2 3.96Å; L547-L582 HydrophobicContact CD2-CG 4.49Å; F566-L582 WeakPolarHBondContact CA-O 3.33Å; Q567-L582 PolarHBondContact N-O 3.36Å; Q567-L582 WeakPolarHBondContact O-CB 3.17Å; Q567-L582 PolarHBondContact O-N 2.96Å; K569-L582 HydrophobicContact CB-CD1 3.71Å; L580-L582 HydrophobicContact CB-CG 4.43Å
583W88.8Confident76.7Confident64 Ų6452.2 Ų52.224%0.24228%0.278CS..EExtended strand (participates in β ladder)trans-120.6117.7-177.6-60.279.4000111.1I530 V531 L532 V564 F566I530-W583 PolarHBondContact O-N 3.27Å; V531-W583 HydrophobicContact CG2-CB 4.3Å; L532-W583 WeakPolarHBondContact CD1-O 3.44Å; L532-W583 PolarHBondContact N-O 2.98Å; V564-W583 HydrophobicContact CG1-CB 4.35Å; V564-W583 HydrophobicContact CG1-CE3 3.98Å; F566-W583 AromaticContact CD2-CD2 3.76Å; F566-W583 HydrophobicContact CD2-CD2 3.76Å; F566-W583 AromaticContact CD2-CE2 3.58Å; F566-W583 HydrophobicContact CD2-CE3 4.02Å; F566-W583 HydrophobicContact CD2-CG 4.34Å; F566-W583 AromaticContact CD2-CH2 3.99Å; F566-W583 HydrophobicContact CD2-CH2 3.99Å; F566-W583 AromaticContact CD2-CZ2 3.71Å; F566-W583 HydrophobicContact CD2-CZ2 3.71Å; F566-W583 HydrophobicContact CD2-CZ3 4.14Å; F566-W583 HydrophobicContact CE2-CD2 4.36Å; F566-W583 AromaticContact CE2-CE2 3.71Å; F566-W583 HydrophobicContact CE2-CH2 4.27Å; F566-W583 AromaticContact CE2-CZ2 3.67Å; F566-W583 HydrophobicContact CE2-CZ2 3.67Å; F566-W583 AromaticContact CE2-NE1 3.93Å
584D86.6Confident75.7Confident2 Ų255.3 Ų55.31%0.01129%0.294CS..EExtended strand (participates in β ladder)trans-101.4108.5176.6179.927.6000112.5K540 S541 L544 V564 D565 A586K540-D584 WeakPolarHBondContact CB-OD1 3.49Å; S541-D584 WeakPolarHBondContact CA-OD2 3.41Å; S541-D584 WeakPolarHBondContact CB-OD2 3.27Å; S541-D584 PolarHBondContact N-OD2 2.96Å; S541-D584 VanDerWaalsContact N-OD2 3.13Å; S541-D584 PolarHBondContact OG-OD2 3.06Å; L544-D584 HydrophobicContact CD2-CB 3.79Å; V564-D584 WeakPolarHBondContact CA-O 3.44Å; V564-D584 WeakPolarHBondContact CG1-O 3.33Å; D565-D584 HydrophobicContact CB-CB 4.32Å; D565-D584 PolarHBondContact N-O 3.42Å; D565-D584 PolarHBondContact O-N 2.73Å; D584-A586 PolarHBondContact O-N 2.76Å; D584-A586 PolarHBondContact OD1-N 3.45Å; D584-A586 WeakPolarHBondContact OD2-CB 3.4Å
585T74Confident75Confident0 Ų050.4 Ų50.40%027%0.268CS..  trans-75.223.4-177.163.30000114.4V531 L532 Q588V531-T585 HydrophobicContact CG1-CG2 3.77Å; L532-T585 PolarHBondContact O-OG1 3.33Å; T585-Q588 WeakPolarHBondContact O-CB 3.15Å; T585-Q588 PolarHBondContact O-N 2.99Å
586A62.6Low74.9Confident14 Ų1450.5 Ų50.512%0.11625%0.251CS..THydrogen-bonded Turntrans-63136.1-169.800000113.9S541 D584 Q588S541-A586 WeakPolarHBondContact OG-CB 3.29Å; D584-A586 PolarHBondContact O-N 2.76Å; D584-A586 PolarHBondContact OD1-N 3.45Å; D584-A586 WeakPolarHBondContact OD2-CB 3.4Å; A586-Q588 PolarHBondContact O-N 3.29Å
587G56.3Low74.6Confident20 Ų2047.9 Ų47.921%0.20625%0.245CC..THydrogen-bonded Turntrans79.9-19.2-176.100000114.2E589 R590G587-E589 WeakPolarHBondContact CA-OE2 3.3Å; G587-E589 PolarHBondContact N-OE2 2.83Å; G587-R590 PolarHBondContact O-NE 2.75Å; G587-R590 PolarHBondContact O-NH2 2.99Å
588Q56Low74.4Confident39 Ų3946.4 Ų46.418%0.18223%0.228CC..THydrogen-bonded Turntrans-95.3-16.1-175-143.9-176.532.900113.1T585 A586 R590 F591 I594 Y598T585-Q588 WeakPolarHBondContact O-CB 3.15Å; T585-Q588 PolarHBondContact O-N 2.99Å; A586-Q588 PolarHBondContact O-N 3.29Å; Q588-R590 PolarHBondContact O-N 2.86Å; Q588-F591 CarbonylContact O-C 3.57Å; Q588-F591 WeakPolarHBondContact O-CA 3.38Å; Q588-F591 PolarHBondContact O-N 3.39Å; Q588-I594 HydrophobicContact CG-CB 4.4Å; Q588-I594 HydrophobicContact CG-CG2 4.23Å; Q588-Y598 PolarHBondContact NE2-OH 3.26Å; Q588-Y598 VanDerWaalsContact NE2-OH 3.09Å; Q588-Y598 PolarHBondContact OE1-OH 2.88Å
589E62.8Low74.2Confident14 Ų1445.8 Ų45.87%0.06522%0.224CC..THydrogen-bonded Turntrans-60.2-18.1175.268.9-87.2-122.500113.6V536 K540 G587 F591 W623V536-E589 VanDerWaalsContact CA-OE1 3.27Å; V536-E589 WeakPolarHBondContact CA-OE1 3.43Å; V536-E589 HydrophobicContact CG2-CG 3.58Å; V536-E589 PolarHBondContact N-OE1 3.35Å; K540-E589 IonicContact NZ-OE1 2.74Å; K540-E589 PolarHBondContact NZ-OE1 3.05Å; G587-E589 WeakPolarHBondContact CA-OE2 3.3Å; G587-E589 PolarHBondContact N-OE2 2.83Å; E589-F591 PolarHBondContact O-N 2.62Å; E589-W623 HydrophobicContact CB-CH2 3.65Å; E589-W623 HydrophobicContact CB-CZ2 3.79Å
590R60.5Low73.8Confident151 Ų15148.9 Ų48.957%0.5723%0.232SC*.THydrogen-bonded Turntrans-64.7-25170.4-63.7-179.3-67.9166.30.3112.6V536 G587 Q588V536-R590 HydrophobicContact CG2-CG 4.09Å; G587-R590 PolarHBondContact O-NE 2.75Å; G587-R590 PolarHBondContact O-NH2 2.99Å; Q588-R590 PolarHBondContact O-N 2.86Å
591F62.2Low73.3Confident111 Ų11156.8 Ų56.849%0.48726%0.262SS..SBendtrans-114.473.7180-55.4-70.9000109.2Q588 E589 S593 I594 A595Q588-F591 CarbonylContact O-C 3.57Å; Q588-F591 WeakPolarHBondContact O-CA 3.38Å; Q588-F591 PolarHBondContact O-N 3.39Å; E589-F591 PolarHBondContact O-N 2.62Å; F591-S593 PolarHBondContact O-N 2.77Å; F591-I594 HydrophobicContact CB-CB 4.36Å; F591-I594 HydrophobicContact CB-CD1 3.7Å; F591-I594 HydrophobicContact CB-CG1 3.87Å; F591-I594 HydrophobicContact CD2-CD1 4.48Å; F591-I594 HydrophobicContact CG-CD1 4.19Å; F591-I594 PolarHBondContact O-N 3.09Å; F591-A595 PolarHBondContact O-N 3.42Å
592R66.4Low73.1Confident104 Ų10455.7 Ų55.739%0.39226%0.258SS..Hα-helixtrans-50.7-31-175.6-72179.6163.3177.7-10.5113.9I594 A595 K596 D622 M626R592-I594 VanDerWaalsContact C-N 3.33Å; R592-I594 PolarHBondContact O-N 3.13Å; R592-A595 PolarHBondContact O-N 3.08Å; R592-K596 PolarHBondContact O-N 3.46Å; R592-D622 IonicContact CZ-OD2 3.73Å; R592-D622 IonicContact NH1-OD2 3.54Å; R592-D622 PolarHBondContact NH1-OD2 2.95Å; R592-D622 IonicContact NH2-OD2 3.86Å; R592-D622 PolarHBondContact NH2-OD2 3.41Å; R592-M626 HydrophobicContact CB-CE 4.21Å; R592-M626 HydrophobicContact CB-SD 4.23Å; R592-M626 HydrophobicContact CG-CE 3.81Å; R592-M626 HydrophobicContact CG-SD 4.39Å
593S63.8Low73.2Confident97 Ų9759 Ų5968%0.67828%0.275SS*.Hα-helixtrans-62.1-34.6173.547.80000114.1F591F591-S593 PolarHBondContact O-N 2.77Å
594I66.1Low73.3Confident72 Ų7255.9 Ų55.937%0.36926%0.264SS..Hα-helixtrans-80.9-38.5177.4-45.9179.3000109.8Q588 F591 R592 K596 S597 Y598Q588-I594 HydrophobicContact CG-CB 4.4Å; Q588-I594 HydrophobicContact CG-CG2 4.23Å; F591-I594 HydrophobicContact CB-CB 4.36Å; F591-I594 HydrophobicContact CB-CD1 3.7Å; F591-I594 HydrophobicContact CB-CG1 3.87Å; F591-I594 HydrophobicContact CD2-CD1 4.48Å; F591-I594 HydrophobicContact CG-CD1 4.19Å; F591-I594 PolarHBondContact O-N 3.09Å; R592-I594 VanDerWaalsContact C-N 3.33Å; R592-I594 PolarHBondContact O-N 3.13Å; I594-K596 PolarHBondContact O-N 3Å; I594-S597 PolarHBondContact O-N 3.27Å; I594-S597 VanDerWaalsContact O-N 3.1Å; I594-S597 PolarHBondContact O-OG 3.07Å; I594-Y598 HydrophobicContact CG2-CE2 4.25Å; I594-Y598 WeakPolarHBondContact O-CD2 3.44Å; I594-Y598 WeakPolarHBondContact O-CE2 3.44Å
595A68.6Low73.6Confident0 Ų055.8 Ų55.80%026%0.263CS..Hα-helixtrans-55.9-36.1174.500000112.6F591 R592 S597 Y598 F599 W623F591-A595 PolarHBondContact O-N 3.42Å; R592-A595 PolarHBondContact O-N 3.08Å; A595-S597 VanDerWaalsContact C-N 3.26Å; A595-S597 PolarHBondContact O-N 2.74Å; A595-Y598 PolarHBondContact O-N 3.15Å; A595-F599 HydrophobicContact CB-CE2 4.46Å; A595-F599 WeakPolarHBondContact O-CD2 3.49Å; A595-W623 HydrophobicContact CB-CZ3 4.49Å
596K77.3Confident74.5Confident64 Ų6455.8 Ų55.828%0.27826%0.263SS..Hα-helixtrans-59.4-24.6176.8-76.6-160.9162.5-162.10114.8R592 I594 M626 D629 V630R592-K596 PolarHBondContact O-N 3.46Å; I594-K596 PolarHBondContact O-N 3Å; K596-M626 HydrophobicContact CD-CG 4.38Å; K596-M626 HydrophobicContact CG-CG 3.95Å; K596-M626 HydrophobicContact CG-SD 4.26Å; K596-D629 IonicContact NZ-OD2 3.41Å; K596-D629 PolarHBondContact NZ-OD2 3.39Å; K596-V630 HydrophobicContact CB-CG2 3.93Å; K596-V630 HydrophobicContact CD-CG2 3.5Å; K596-V630 HydrophobicContact CG-CG2 3.65Å; K596-V630 VanDerWaalsContact O-CG1 3.32Å; K596-V630 WeakPolarHBondContact O-CG1 3.27Å
597S79.4Confident76Confident62 Ų6255.2 Ų55.243%0.43426%0.258SS..Hα-helixtrans-72.2-32.1-179.865.80000113I594 A595I594-S597 PolarHBondContact O-N 3.27Å; I594-S597 VanDerWaalsContact O-N 3.1Å; I594-S597 PolarHBondContact O-OG 3.07Å; A595-S597 VanDerWaalsContact C-N 3.26Å; A595-S597 PolarHBondContact O-N 2.74Å
598Y79.7Confident77.7Confident63 Ų6354.3 Ų54.325%0.24725%0.249CC..Hα-helixtrans-72.4-31.9-177-59.8-84.3000113.1V564 Q588 I594 A595 R600V564-Y598 HydrophobicContact CB-CE1 4.47Å; V564-Y598 HydrophobicContact CG1-CE1 4.4Å; V564-Y598 HydrophobicContact CG2-CE1 3.97Å; V564-Y598 HydrophobicContact CG2-CE2 4.3Å; Q588-Y598 PolarHBondContact NE2-OH 3.26Å; Q588-Y598 VanDerWaalsContact NE2-OH 3.09Å; Q588-Y598 PolarHBondContact OE1-OH 2.88Å; I594-Y598 HydrophobicContact CG2-CE2 4.25Å; I594-Y598 WeakPolarHBondContact O-CD2 3.44Å; I594-Y598 WeakPolarHBondContact O-CE2 3.44Å; A595-Y598 PolarHBondContact O-N 3.15Å; Y598-R600 VanDerWaalsContact C-N 3.32Å; Y598-R600 PolarHBondContact O-N 3.48Å
599F83.7Confident79.6Confident0 Ų052.5 Ų52.50%024%0.24CC..Hα-helixtrans-70.8-24.4179.5-55.2-49.8000113.4V531 A533 A595 R601 A602 V605 W623 I627 V630V531-F599 HydrophobicContact CB-CD1 4.37Å; V531-F599 HydrophobicContact CB-CE1 4.34Å; V531-F599 HydrophobicContact CG1-CD1 4.08Å; V531-F599 HydrophobicContact CG1-CE1 3.72Å; A533-F599 HydrophobicContact CB-CE1 3.97Å; A533-F599 HydrophobicContact CB-CZ 3.9Å; A595-F599 HydrophobicContact CB-CE2 4.46Å; A595-F599 WeakPolarHBondContact O-CD2 3.49Å; F599-R601 PolarHBondContact O-N 3.49Å; F599-A602 PolarHBondContact O-N 2.85Å; F599-V605 HydrophobicContact CD1-CG2 4.21Å; F599-V605 HydrophobicContact CE1-CG1 4.34Å; F599-W623 HydrophobicContact CE2-CZ3 4.47Å; F599-W623 HydrophobicContact CZ-CZ3 4.32Å; F599-I627 HydrophobicContact CD1-CG1 4.34Å; F599-I627 HydrophobicContact CD2-CG1 4.25Å; F599-I627 HydrophobicContact CE1-CG1 4.36Å; F599-I627 HydrophobicContact CE2-CG1 4.26Å; F599-I627 HydrophobicContact CG-CG1 4.31Å; F599-I627 HydrophobicContact CZ-CG1 4.32Å; F599-V630 HydrophobicContact CB-CG1 3.96Å
600R81.5Confident81Confident118 Ų11852.8 Ų52.845%0.44524%0.242SC..THydrogen-bonded Turntrans-60.3-18179.3-72.3-174.4172.2167.9-1.7115.1Y598 V630Y598-R600 VanDerWaalsContact C-N 3.32Å; Y598-R600 PolarHBondContact O-N 3.48Å; R600-V630 HydrophobicContact CB-CG1 4.47Å; R600-V630 HydrophobicContact CG-CG1 3.55Å
601R80.1Confident82.5Confident167 Ų16745.6 Ų45.663%0.6322%0.215SC*.THydrogen-bonded Turntrans-135.832.1-178.4-54.7-179.178.41717.2111.2R529 F599R529-R601 WeakPolarHBondContact CB-O 3.47Å; R529-R601 WeakPolarHBondContact CD-O 3.47Å; F599-R601 PolarHBondContact O-N 3.49Å
602A89.1Confident83.8Confident7 Ų742.8 Ų42.86%0.05821%0.205CC..  trans-95.3133.6174.400000109.8V531 F599 V605 I635V531-A602 HydrophobicContact CB-CB 4.42Å; V531-A602 HydrophobicContact CG2-CB 3.67Å; F599-A602 PolarHBondContact O-N 2.85Å; A602-V605 HydrophobicContact CB-CG2 4.43Å; A602-I635 HydrophobicContact CB-CD1 4.5Å; A602-I635 WeakPolarHBondContact O-CD1 3.31Å
603D90.8Very high84.9Confident69 Ų6940.1 Ų40.137%0.36920%0.202SC..SBendtrans-89.1-15.1172.8-52.1-66.3000111.2Y528 R529 V692Y528-D603 WeakPolarHBondContact CA-OD2 3.3Å; Y528-D603 HydrophobicContact CD1-CB 4.21Å; R529-D603 WeakPolarHBondContact CB-OD2 3.35Å; R529-D603 PolarHBondContact N-OD2 3.21Å; R529-D603 PolarHBondContact O-N 2.98Å; D603-V692 HydrophobicContact CB-CG1 3.61Å; D603-V692 WeakPolarHBondContact O-CG1 3.21Å; D603-V692 VanDerWaalsContact O-CG2 3.24Å; D603-V692 WeakPolarHBondContact O-CG2 3.08Å
604G91.8Very high86.1Confident0 Ų041.6 Ų41.60%020%0.198CC..EExtended strand (participates in β ladder)trans-163.8158.6172.700000112.8R529 I530 V531 P636R529-G604 PolarHBondContact O-N 3.27Å; R529-G604 VanDerWaalsContact O-N 3.15Å; I530-G604 WeakPolarHBondContact CA-O 3.47Å; V531-G604 PolarHBondContact N-O 3.13Å; V531-G604 VanDerWaalsContact N-O 3.1Å; G604-P636 WeakPolarHBondContact CA-O 3.45Å
605V92.7Very high87.2Confident0 Ų045 Ų450%021%0.21CC..EExtended strand (participates in β ladder)trans-126.3130.6179.8-175.40000112.1V531 A533 F599 A602 I627 I635 P636 I637 M638V531-V605 WeakPolarHBondContact O-CA 3.42Å; A533-V605 HydrophobicContact CB-CG1 3.85Å; F599-V605 HydrophobicContact CD1-CG2 4.21Å; F599-V605 HydrophobicContact CE1-CG1 4.34Å; A602-V605 HydrophobicContact CB-CG2 4.43Å; V605-I627 HydrophobicContact CB-CD1 4.36Å; V605-I627 HydrophobicContact CG1-CD1 3.8Å; V605-I627 HydrophobicContact CG2-CD1 4.43Å; V605-I627 HydrophobicContact CG2-CG2 4.4Å; V605-I635 HydrophobicContact CG2-CG2 4.14Å; V605-P636 PolarHBondContact N-O 3.34Å; V605-I637 HydrophobicContact CB-CG1 4.4Å; V605-I637 WeakPolarHBondContact O-CA 3.47Å; V605-M638 PolarHBondContact O-N 2.95Å
606L93.6Very high88.3Confident0 Ų045.7 Ų45.70%021%0.214CC..EExtended strand (participates in β ladder)trans-95.9106.2167.4-73166.1000108.7I530 V531 L532 A533 F543 L608 M638 V640 V685 L688I530-L606 HydrophobicContact CG2-CD1 3.59Å; I530-L606 HydrophobicContact CG2-CG 3.76Å; V531-L606 PolarHBondContact O-N 3.13Å; L532-L606 WeakPolarHBondContact CA-O 3.26Å; L532-L606 HydrophobicContact CD1-CD1 4.23Å; L532-L606 HydrophobicContact CG-CB 4.22Å; L532-L606 HydrophobicContact CG-CD1 4.13Å; A533-L606 PolarHBondContact N-O 2.89Å; F543-L606 HydrophobicContact CE1-CD1 4.1Å; L606-L608 HydrophobicContact CB-CD1 3.99Å; L606-L608 WeakPolarHBondContact O-CD1 3.46Å; L606-M638 HydrophobicContact CD2-CB 4.04Å; L606-M638 HydrophobicContact CD2-CG 3.83Å; L606-V640 HydrophobicContact CD2-CG2 4.13Å; L606-V685 HydrophobicContact CD1-CG2 4.15Å; L606-L688 HydrophobicContact CD2-CD2 3.8Å; L606-L688 HydrophobicContact CG-CD2 3.72Å
607L93.1Very high89Confident1 Ų143.4 Ų43.41%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-99.5105.3-179.3179.149.2000110.4A533 V620 W623 V624 I637 M638 L639 V640A533-L607 HydrophobicContact CB-CD1 3.99Å; L607-V620 HydrophobicContact CD2-CG1 3.85Å; L607-V620 HydrophobicContact CG-CG1 4.43Å; L607-W623 HydrophobicContact CD1-CB 3.57Å; L607-W623 HydrophobicContact CD1-CD2 4.48Å; L607-W623 HydrophobicContact CD1-CG 3.82Å; L607-W623 HydrophobicContact CD2-CB 3.81Å; L607-W623 HydrophobicContact CG-CB 4.35Å; L607-V624 HydrophobicContact CD2-CG2 3.66Å; L607-I637 HydrophobicContact CB-CG2 4.1Å; L607-M638 PolarHBondContact N-O 3.42Å; L607-L639 HydrophobicContact CG-CD1 4.26Å; L607-V640 PolarHBondContact O-N 3.08Å
608L93.4Very high89.6Confident2 Ų244.6 Ų44.61%0.0121%0.205CC..EExtended strand (participates in β ladder)trans-95.3136.6-175-7477.1000112.5A533 V538 K540 F543 L606 V640A533-L608 PolarHBondContact O-N 2.87Å; V538-L608 HydrophobicContact CB-CB 4.49Å; V538-L608 HydrophobicContact CG2-CB 3.72Å; K540-L608 HydrophobicContact CG-CB 4.44Å; K540-L608 HydrophobicContact CG-CD2 4.3Å; F543-L608 HydrophobicContact CB-CD2 3.96Å; F543-L608 HydrophobicContact CD2-CD2 4.25Å; F543-L608 HydrophobicContact CG-CD2 4.14Å; L606-L608 HydrophobicContact CB-CD1 3.99Å; L606-L608 WeakPolarHBondContact O-CD1 3.46Å; L608-V640 WeakPolarHBondContact CA-O 3.38Å; L608-V640 HydrophobicContact CD1-CB 4.49Å; L608-V640 HydrophobicContact CG-CB 4.02Å; L608-V640 HydrophobicContact CG-CG1 4.12Å
609Y94.2Very high90.1Very high0 Ų043 Ų430%020%0.201CC..EExtended strand (participates in β ladder)trans-127.3164164.274-87.4000111.3V611 F617 V620 L639 V640 N642 F670Y609-V611 HydrophobicContact CE2-CG2 4.11Å; Y609-F617 HydrophobicContact CD1-CD2 4.36Å; Y609-F617 HydrophobicContact CD2-CB 3.76Å; Y609-F617 AromaticContact CD2-CD2 3.98Å; Y609-F617 HydrophobicContact CD2-CD2 3.98Å; Y609-F617 HydrophobicContact CD2-CG 4.33Å; Y609-F617 HydrophobicContact CE1-CD2 4.09Å; Y609-F617 HydrophobicContact CE2-CB 4.11Å; Y609-F617 AromaticContact CE2-CD2 3.7Å; Y609-F617 HydrophobicContact CE2-CD2 3.7Å; Y609-F617 HydrophobicContact CE2-CG 4.26Å; Y609-F617 HydrophobicContact CG-CB 4.34Å; Y609-F617 HydrophobicContact CG-CD2 4.3Å; Y609-F617 AromaticContact CZ-CD2 3.76Å; Y609-V620 HydrophobicContact CD1-CG2 4.13Å; Y609-V620 HydrophobicContact CG-CG2 4.26Å; Y609-L639 HydrophobicContact CD1-CD1 3.75Å; Y609-L639 HydrophobicContact CD1-CG 4.26Å; Y609-L639 HydrophobicContact CE1-CD1 3.99Å; Y609-L639 HydrophobicContact CE1-CD2 4.34Å; Y609-L639 HydrophobicContact CE1-CG 3.99Å; Y609-V640 WeakPolarHBondContact CD1-O 3.38Å; Y609-V640 PolarHBondContact N-O 3.15Å; Y609-N642 PolarHBondContact O-N 3.07Å; Y609-F670 HydrophobicContact CE1-CE2 4.19Å; Y609-F670 WeakPolarHBondContact OH-CE2 3.41Å
610D92.6Very high90.5Very high21 Ų2143.2 Ų43.211%0.11220%0.202CC..EExtended strand (participates in β ladder)trans-94.2118.4176.4-177.1-18.2000109.8V538 N612 C613 T616 K643V538-D610 HydrophobicContact CG1-CB 4.38Å; D610-N612 PolarHBondContact O-N 2.99Å; D610-N612 VanDerWaalsContact O-N 3.14Å; D610-N612 PolarHBondContact OD1-N 3.17Å; D610-C613 HydrophobicContact CB-CB 3.98Å; D610-C613 PolarHBondContact O-N 3.03Å; D610-T616 PolarHBondContact N-OG1 3.4Å; D610-T616 PolarHBondContact O-OG1 3.26Å; D610-K643 WeakPolarHBondContact OD2-CD 3.38Å; D610-K643 WeakPolarHBondContact OD2-CE 3.42Å; D610-K643 IonicContact OD2-NZ 3.5Å; D610-K643 PolarHBondContact OD2-NZ 2.87Å
611V92.4Very high90.9Very high0 Ų043.5 Ų43.50%020%0.203CC..THydrogen-bonded Turntrans-58.6-26179.8169.30000112.4Y609 N642 S653 V654Y609-V611 HydrophobicContact CE2-CG2 4.11Å; V611-N642 WeakPolarHBondContact CB-O 3.29Å; V611-N642 WeakPolarHBondContact CG2-O 3.34Å; V611-N642 PolarHBondContact N-O 3.34Å; V611-S653 CarbonylContact O-C 3.58Å; V611-S653 WeakPolarHBondContact O-CA 3.42Å; V611-V654 PolarHBondContact O-N 2.88Å
612N89.8Confident91.4Very high52 Ų5238.7 Ų38.728%0.27819%0.19SC..THydrogen-bonded Turntrans-93.22.7177.7-78.210.5000113.9D610 L646 S653D610-N612 PolarHBondContact O-N 2.99Å; D610-N612 VanDerWaalsContact O-N 3.14Å; D610-N612 PolarHBondContact OD1-N 3.17Å; N612-L646 VanDerWaalsContact ND2-CB 3.25Å; N612-L646 WeakPolarHBondContact ND2-CB 3.39Å; N612-L646 PolarHBondContact ND2-O 3.11Å; N612-S653 WeakPolarHBondContact OD1-CB 3.49Å
613C88.2Confident91.4Very high48 Ų4838.5 Ų38.532%0.32419%0.188SC..  trans-129.891.2179-167.40000112.1D610 K615 T616 F617D610-C613 HydrophobicContact CB-CB 3.98Å; D610-C613 PolarHBondContact O-N 3.03Å; C613-K615 PolarHBondContact O-N 3.31Å; C613-T616 HydrophobicContact CB-CG2 4.07Å; C613-T616 PolarHBondContact O-N 3.34Å; C613-T616 PolarHBondContact O-OG1 3.48Å; C613-F617 PolarHBondContact O-N 3.04Å
614E89.9Confident91.4Very high127 Ų12735.4 Ų35.459%0.59317%0.172SC*.Hα-helixtrans-49.1-34.5178.1-175.9177.9-153.900113.5T616 F617 L618 V654E614-T616 VanDerWaalsContact C-N 3.34Å; E614-T616 PolarHBondContact O-N 2.92Å; E614-F617 WeakPolarHBondContact O-CB 3.43Å; E614-F617 PolarHBondContact O-N 3.39Å; E614-F617 VanDerWaalsContact O-N 3.16Å; E614-L618 HydrophobicContact CG-CD1 4.26Å; E614-L618 HydrophobicContact CG-CG 4.37Å; E614-L618 WeakPolarHBondContact O-CG 3.48Å; E614-L618 PolarHBondContact O-N 3.13Å; E614-V654 HydrophobicContact CB-CG2 4.17Å
615K90.3Very high91.2Very high145 Ų14539.2 Ų39.263%0.6319%0.192SC*.Hα-helixtrans-57.6-44.7174.9-174.6-175.4174.5-1710112.2C613 F617 L618 N619C613-K615 PolarHBondContact O-N 3.31Å; K615-F617 VanDerWaalsContact C-N 3.27Å; K615-F617 PolarHBondContact O-N 2.98Å; K615-L618 PolarHBondContact O-N 2.85Å; K615-N619 WeakPolarHBondContact O-CB 3.34Å; K615-N619 VanDerWaalsContact O-CG 3.26Å; K615-N619 PolarHBondContact O-N 3.33Å; K615-N619 PolarHBondContact O-OD1 3.18Å
616T91.2Very high90.9Very high13 Ų1339.9 Ų39.98%0.0820%0.195CC..Hα-helixtrans-68-30.6179.667.70000111.8D535 V538 D610 C613 E614 V620D535-T616 HydrophobicContact CB-CG2 3.9Å; V538-T616 HydrophobicContact CG1-CG2 3.92Å; D610-T616 PolarHBondContact N-OG1 3.4Å; D610-T616 PolarHBondContact O-OG1 3.26Å; C613-T616 HydrophobicContact CB-CG2 4.07Å; C613-T616 PolarHBondContact O-N 3.34Å; C613-T616 PolarHBondContact O-OG1 3.48Å; E614-T616 VanDerWaalsContact C-N 3.34Å; E614-T616 PolarHBondContact O-N 2.92Å; T616-V620 PolarHBondContact O-N 3.32Å
617F92.4Very high90.6Very high17 Ų1739.9 Ų39.98%0.07520%0.195CC..Hα-helixtrans-71.2-38.6173.3173.5-107.7000112.8Y609 C613 E614 K615 V620 V654 Y658 L662Y609-F617 HydrophobicContact CD1-CD2 4.36Å; Y609-F617 HydrophobicContact CD2-CB 3.76Å; Y609-F617 AromaticContact CD2-CD2 3.98Å; Y609-F617 HydrophobicContact CD2-CD2 3.98Å; Y609-F617 HydrophobicContact CD2-CG 4.33Å; Y609-F617 HydrophobicContact CE1-CD2 4.09Å; Y609-F617 HydrophobicContact CE2-CB 4.11Å; Y609-F617 AromaticContact CE2-CD2 3.7Å; Y609-F617 HydrophobicContact CE2-CD2 3.7Å; Y609-F617 HydrophobicContact CE2-CG 4.26Å; Y609-F617 HydrophobicContact CG-CB 4.34Å; Y609-F617 HydrophobicContact CG-CD2 4.3Å; Y609-F617 AromaticContact CZ-CD2 3.76Å; C613-F617 PolarHBondContact O-N 3.04Å; E614-F617 WeakPolarHBondContact O-CB 3.43Å; E614-F617 PolarHBondContact O-N 3.39Å; E614-F617 VanDerWaalsContact O-N 3.16Å; K615-F617 VanDerWaalsContact C-N 3.27Å; K615-F617 PolarHBondContact O-N 2.98Å; F617-V620 VanDerWaalsContact O-CB 3.3Å; F617-V620 WeakPolarHBondContact O-CB 3.48Å; F617-V620 WeakPolarHBondContact O-CG2 3.4Å; F617-V620 PolarHBondContact O-N 3.1Å; F617-V654 HydrophobicContact CB-CG1 4.49Å; F617-V654 HydrophobicContact CB-CG2 3.97Å; F617-V654 HydrophobicContact CD1-CG1 3.84Å; F617-V654 HydrophobicContact CD1-CG2 4.28Å; F617-V654 HydrophobicContact CD2-CG1 4.11Å; F617-V654 HydrophobicContact CE1-CG1 4.05Å; F617-V654 HydrophobicContact CE2-CG1 4.3Å; F617-V654 HydrophobicContact CG-CG1 3.87Å; F617-V654 HydrophobicContact CG-CG2 4.18Å; F617-V654 HydrophobicContact CZ-CG1 4.27Å; F617-Y658 HydrophobicContact CE1-CD1 4.49Å; F617-L662 HydrophobicContact CD2-CD2 4.16Å; F617-L662 HydrophobicContact CE2-CB 4.12Å; F617-L662 HydrophobicContact CE2-CD2 3.5Å; F617-L662 VanDerWaalsContact CE2-CD2 3.5Å; F617-L662 HydrophobicContact CE2-CG 4.42Å; F617-L662 HydrophobicContact CZ-CB 4.1Å; F617-L662 HydrophobicContact CZ-CD2 3.86Å; F617-L662 HydrophobicContact CZ-CG 4.48Å
618L91.4Very high90.3Very high86 Ų8645.2 Ų45.245%0.4522%0.22SC..Hα-helixtrans-66.6-41.2174.4-68.7172.4000111.6E614 K615 V620 R621E614-L618 HydrophobicContact CG-CD1 4.26Å; E614-L618 HydrophobicContact CG-CG 4.37Å; E614-L618 WeakPolarHBondContact O-CG 3.48Å; E614-L618 PolarHBondContact O-N 3.13Å; K615-L618 PolarHBondContact O-N 2.85Å; L618-V620 PolarHBondContact O-N 2.67Å; L618-V620 VanDerWaalsContact O-N 3.17Å; L618-R621 PolarHBondContact O-N 2.82Å
619N90.6Very high90Very high31 Ų3150.9 Ų50.917%0.16625%0.25CS..THydrogen-bonded Turntrans-64.6-13.1177.3-73.54000113.9D535 K615 R621 D622 W623D535-N619 PolarHBondContact OD2-ND2 2.65Å; K615-N619 WeakPolarHBondContact O-CB 3.34Å; K615-N619 VanDerWaalsContact O-CG 3.26Å; K615-N619 PolarHBondContact O-N 3.33Å; K615-N619 PolarHBondContact O-OD1 3.18Å; N619-R621 PolarHBondContact O-N 3.28Å; N619-R621 VanDerWaalsContact O-N 3.13Å; N619-D622 WeakPolarHBondContact O-CB 3.47Å; N619-D622 PolarHBondContact O-N 3.36Å; N619-W623 PolarHBondContact O-N 2.62Å
620V91.4Very high89.4Confident3 Ų351.5 Ų51.52%0.01825%0.254CS..Hα-helixtrans-53.8-31.2173.4171.60000111.7L607 Y609 T616 F617 L618 W623 V624 L639 L662L607-V620 HydrophobicContact CD2-CG1 3.85Å; L607-V620 HydrophobicContact CG-CG1 4.43Å; Y609-V620 HydrophobicContact CD1-CG2 4.13Å; Y609-V620 HydrophobicContact CG-CG2 4.26Å; T616-V620 PolarHBondContact O-N 3.32Å; F617-V620 VanDerWaalsContact O-CB 3.3Å; F617-V620 WeakPolarHBondContact O-CB 3.48Å; F617-V620 WeakPolarHBondContact O-CG2 3.4Å; F617-V620 PolarHBondContact O-N 3.1Å; L618-V620 PolarHBondContact O-N 2.67Å; L618-V620 VanDerWaalsContact O-N 3.17Å; V620-W623 WeakPolarHBondContact O-CB 3.43Å; V620-W623 PolarHBondContact O-N 3.49Å; V620-V624 HydrophobicContact CG1-CG2 4.32Å; V620-V624 WeakPolarHBondContact O-CG2 3.35Å; V620-V624 PolarHBondContact O-N 3Å; V620-L639 HydrophobicContact CB-CD1 4.47Å; V620-L639 HydrophobicContact CG1-CD1 3.57Å; V620-L639 HydrophobicContact CG2-CD1 3.96Å; V620-L662 HydrophobicContact CB-CD2 3.94Å; V620-L662 HydrophobicContact CG1-CD2 3.66Å
621R90.8Very high88.6Confident125 Ų12551.5 Ų51.547%0.47226%0.256SS..Hα-helixtrans-65.8-54.4178.3-57.5-171.7-175.8164.90.9111.6L618 N619 W623 V624 D625 Y666L618-R621 PolarHBondContact O-N 2.82Å; N619-R621 PolarHBondContact O-N 3.28Å; N619-R621 VanDerWaalsContact O-N 3.13Å; R621-W623 PolarHBondContact O-N 2.97Å; R621-V624 PolarHBondContact O-N 3.31Å; R621-D625 WeakPolarHBondContact O-CB 3.41Å; R621-D625 PolarHBondContact O-N 2.85Å; R621-Y666 HydrophobicContact CG-CE2 4.27Å; R621-Y666 WeakPolarHBondContact CG-OH 3.5Å
622D89.9Confident87.2Confident65 Ų6560.1 Ų60.135%0.34830%0.296SS..Hα-helixtrans-48.2-33.3171.6-64.630.8000112.6R592 N619 M626R592-D622 IonicContact CZ-OD2 3.73Å; R592-D622 IonicContact NH1-OD2 3.54Å; R592-D622 PolarHBondContact NH1-OD2 2.95Å; R592-D622 IonicContact NH2-OD2 3.86Å; R592-D622 PolarHBondContact NH2-OD2 3.41Å; N619-D622 WeakPolarHBondContact O-CB 3.47Å; N619-D622 PolarHBondContact O-N 3.36Å; D622-M626 WeakPolarHBondContact O-CB 3.5Å; D622-M626 PolarHBondContact O-N 3.48Å
623W89.6Confident86.3Confident4 Ų463.7 Ų63.72%0.01532%0.315CS..Hα-helixtrans-78.6-42179.5-76.6112.2000113.5A533 D535 E589 A595 F599 L607 N619 V620 R621 M626 I627A533-W623 HydrophobicContact CB-CE3 4.41Å; D535-W623 PolarHBondContact OD1-NE1 2.82Å; E589-W623 HydrophobicContact CB-CH2 3.65Å; E589-W623 HydrophobicContact CB-CZ2 3.79Å; A595-W623 HydrophobicContact CB-CZ3 4.49Å; F599-W623 HydrophobicContact CE2-CZ3 4.47Å; F599-W623 HydrophobicContact CZ-CZ3 4.32Å; L607-W623 HydrophobicContact CD1-CB 3.57Å; L607-W623 HydrophobicContact CD1-CD2 4.48Å; L607-W623 HydrophobicContact CD1-CG 3.82Å; L607-W623 HydrophobicContact CD2-CB 3.81Å; L607-W623 HydrophobicContact CG-CB 4.35Å; N619-W623 PolarHBondContact O-N 2.62Å; V620-W623 WeakPolarHBondContact O-CB 3.43Å; V620-W623 PolarHBondContact O-N 3.49Å; R621-W623 PolarHBondContact O-N 2.97Å; W623-M626 HydrophobicContact CD2-CE 4.36Å; W623-M626 HydrophobicContact CE3-CE 3.86Å; W623-M626 HydrophobicContact CE3-SD 4.17Å; W623-M626 HydrophobicContact CH2-CE 4.46Å; W623-M626 HydrophobicContact CZ3-CE 3.92Å; W623-M626 HydrophobicContact CZ3-SD 3.94Å; W623-M626 PolarHBondContact O-N 3.37Å; W623-I627 VanDerWaalsContact O-CD1 3.3Å; W623-I627 WeakPolarHBondContact O-CD1 3.32Å; W623-I627 VanDerWaalsContact O-CG1 3.23Å; W623-I627 WeakPolarHBondContact O-CG1 3.14Å; W623-I627 PolarHBondContact O-N 3.44Å; W623-I627 VanDerWaalsContact O-N 3.14Å
624V89.7Confident85.9Confident4 Ų467.6 Ų67.62%0.02433%0.332CS..Hα-helixtrans-66.4-50.3174.8175.80000110.1L607 V620 R621 M626 I627 E628 I637 Y666L607-V624 HydrophobicContact CD2-CG2 3.66Å; V620-V624 HydrophobicContact CG1-CG2 4.32Å; V620-V624 WeakPolarHBondContact O-CG2 3.35Å; V620-V624 PolarHBondContact O-N 3Å; R621-V624 PolarHBondContact O-N 3.31Å; V624-M626 PolarHBondContact O-N 2.86Å; V624-M626 VanDerWaalsContact O-N 3.16Å; V624-I627 PolarHBondContact O-N 2.89Å; V624-E628 HydrophobicContact CG1-CG 4.32Å; V624-E628 VanDerWaalsContact CG1-OE1 3.23Å; V624-E628 WeakPolarHBondContact CG1-OE1 3.45Å; V624-E628 PolarHBondContact O-N 3.48Å; V624-I637 HydrophobicContact CG1-CD1 4.28Å; V624-I637 HydrophobicContact CG2-CD1 4.5Å; V624-Y666 HydrophobicContact CB-CD1 4.24Å; V624-Y666 HydrophobicContact CB-CE1 4.26Å; V624-Y666 HydrophobicContact CG1-CD1 3.51Å; V624-Y666 HydrophobicContact CG1-CE1 3.87Å; V624-Y666 HydrophobicContact CG1-CG 4.18Å
625D88.7Confident85.8Confident79 Ų7962.6 Ų62.642%0.42231%0.309SS..Hα-helixtrans-54.4-37.6177.3-56.7-2.6000110.8R621 D629R621-D625 WeakPolarHBondContact O-CB 3.41Å; R621-D625 PolarHBondContact O-N 2.85Å; D625-D629 VanDerWaalsContact O-CB 3.26Å; D625-D629 WeakPolarHBondContact O-CB 3.27Å; D625-D629 PolarHBondContact O-N 3.47Å
626M86.4Confident85.9Confident14 Ų1456.4 Ų56.47%0.06928%0.284CS..Hα-helixtrans-73.8-26.6177.3-171.8-170.1-35.800114.6R592 K596 D622 W623 V624 V630R592-M626 HydrophobicContact CB-CE 4.21Å; R592-M626 HydrophobicContact CB-SD 4.23Å; R592-M626 HydrophobicContact CG-CE 3.81Å; R592-M626 HydrophobicContact CG-SD 4.39Å; K596-M626 HydrophobicContact CD-CG 4.38Å; K596-M626 HydrophobicContact CG-CG 3.95Å; K596-M626 HydrophobicContact CG-SD 4.26Å; D622-M626 WeakPolarHBondContact O-CB 3.5Å; D622-M626 PolarHBondContact O-N 3.48Å; W623-M626 HydrophobicContact CD2-CE 4.36Å; W623-M626 HydrophobicContact CE3-CE 3.86Å; W623-M626 HydrophobicContact CE3-SD 4.17Å; W623-M626 HydrophobicContact CH2-CE 4.46Å; W623-M626 HydrophobicContact CZ3-CE 3.92Å; W623-M626 HydrophobicContact CZ3-SD 3.94Å; W623-M626 PolarHBondContact O-N 3.37Å; V624-M626 PolarHBondContact O-N 2.86Å; V624-M626 VanDerWaalsContact O-N 3.16Å; M626-V630 VanDerWaalsContact O-CG2 3.31Å; M626-V630 WeakPolarHBondContact O-CG2 3.3Å
627I87.4Confident86Confident1 Ų156.6 Ų56.61%0.00528%0.284CS..Hα-helixtrans-75.8-51.1174.6-67.4157000108.5F599 V605 W623 V624 D629 V630 S631 I637F599-I627 HydrophobicContact CD1-CG1 4.34Å; F599-I627 HydrophobicContact CD2-CG1 4.25Å; F599-I627 HydrophobicContact CE1-CG1 4.36Å; F599-I627 HydrophobicContact CE2-CG1 4.26Å; F599-I627 HydrophobicContact CG-CG1 4.31Å; F599-I627 HydrophobicContact CZ-CG1 4.32Å; V605-I627 HydrophobicContact CB-CD1 4.36Å; V605-I627 HydrophobicContact CG1-CD1 3.8Å; V605-I627 HydrophobicContact CG2-CD1 4.43Å; V605-I627 HydrophobicContact CG2-CG2 4.4Å; W623-I627 VanDerWaalsContact O-CD1 3.3Å; W623-I627 WeakPolarHBondContact O-CD1 3.32Å; W623-I627 VanDerWaalsContact O-CG1 3.23Å; W623-I627 WeakPolarHBondContact O-CG1 3.14Å; W623-I627 PolarHBondContact O-N 3.44Å; W623-I627 VanDerWaalsContact O-N 3.14Å; V624-I627 PolarHBondContact O-N 2.89Å; I627-D629 VanDerWaalsContact C-N 3.25Å; I627-D629 PolarHBondContact O-N 3.32Å; I627-V630 PolarHBondContact O-N 2.81Å; I627-S631 PolarHBondContact O-N 3.3Å; I627-S631 PolarHBondContact O-OG 3.44Å; I627-I637 HydrophobicContact CB-CD1 4.36Å; I627-I637 HydrophobicContact CD1-CD1 4.01Å; I627-I637 HydrophobicContact CG2-CD1 4.05Å
628E86.9Confident86.1Confident113 Ų11356 Ų5653%0.52828%0.282SS..Hα-helixtrans-56.8-37.1176.9-67179.3-16400112.2V624 V630V624-E628 HydrophobicContact CG1-CG 4.32Å; V624-E628 VanDerWaalsContact CG1-OE1 3.23Å; V624-E628 WeakPolarHBondContact CG1-OE1 3.45Å; V624-E628 PolarHBondContact O-N 3.48Å; E628-V630 PolarHBondContact O-N 3.14Å; E628-V630 VanDerWaalsContact O-N 3.11Å
629D85.4Confident86.3Confident120 Ų12052 Ų5264%0.64226%0.261SS*.THydrogen-bonded Turntrans-57.7-17172.4-117.815.3000115.2K596 D625 I627K596-D629 IonicContact NZ-OD2 3.41Å; K596-D629 PolarHBondContact NZ-OD2 3.39Å; D625-D629 VanDerWaalsContact O-CB 3.26Å; D625-D629 WeakPolarHBondContact O-CB 3.27Å; D625-D629 PolarHBondContact O-N 3.47Å; I627-D629 VanDerWaalsContact C-N 3.25Å; I627-D629 PolarHBondContact O-N 3.32Å
630V81.8Confident86.5Confident13 Ų1350.6 Ų50.68%0.07925%0.253CS..THydrogen-bonded Turntrans-126.5-33-166.2173.40000112.4K596 F599 R600 M626 I627 E628 H632K596-V630 HydrophobicContact CB-CG2 3.93Å; K596-V630 HydrophobicContact CD-CG2 3.5Å; K596-V630 HydrophobicContact CG-CG2 3.65Å; K596-V630 VanDerWaalsContact O-CG1 3.32Å; K596-V630 WeakPolarHBondContact O-CG1 3.27Å; F599-V630 HydrophobicContact CB-CG1 3.96Å; R600-V630 HydrophobicContact CB-CG1 4.47Å; R600-V630 HydrophobicContact CG-CG1 3.55Å; M626-V630 VanDerWaalsContact O-CG2 3.31Å; M626-V630 WeakPolarHBondContact O-CG2 3.3Å; I627-V630 PolarHBondContact O-N 2.81Å; E628-V630 PolarHBondContact O-N 3.14Å; E628-V630 VanDerWaalsContact O-N 3.11Å; V630-H632 PolarHBondContact O-N 2.94Å
631S76.8Confident86.7Confident22 Ų2250.4 Ų50.415%0.15425%0.253CS..  trans-82.7112.317860.30000110.4I627 D633I627-S631 PolarHBondContact O-N 3.3Å; I627-S631 PolarHBondContact O-OG 3.44Å; S631-D633 VanDerWaalsContact CB-O 3.3Å; S631-D633 WeakPolarHBondContact CB-O 3.34Å; S631-D633 PolarHBondContact O-N 3.3Å; S631-D633 PolarHBondContact OG-O 3.16Å
632H61.8Low86.8Confident181 Ų18144.6 Ų44.684%0.83823%0.231SC*.SBendtrans-69.9-16.7172.3-61.9-49000112.9V630V630-H632 PolarHBondContact O-N 2.94Å
633D71.6Confident86.8Confident126 Ų12643.9 Ų43.967%0.67423%0.225SC*.SBendtrans-113.8158.2175.9-60.4-66.2000111.4S631 I635S631-D633 VanDerWaalsContact CB-O 3.3Å; S631-D633 WeakPolarHBondContact CB-O 3.34Å; S631-D633 PolarHBondContact O-N 3.3Å; S631-D633 PolarHBondContact OG-O 3.16Å; D633-I635 VanDerWaalsContact C-N 3.33Å; D633-I635 PolarHBondContact O-N 3.08Å
634D80Confident86.9Confident130 Ų13045.2 Ų45.270%0.69523%0.234SC*.  trans-75.174.5-179.1-17314.4000111.4Q695D634-Q695 PolarHBondContact O-NE2 2.92Å; D634-Q695 PolarHBondContact O-OE1 3.3Å
635I88.8Confident86.8Confident22 Ų2246 Ų4611%0.11324%0.238CC..PPolyproline II helixtrans-66.9129.1-173.6-62.4173.8000111.3A602 V605 D633 I637A602-I635 HydrophobicContact CB-CD1 4.5Å; A602-I635 WeakPolarHBondContact O-CD1 3.31Å; V605-I635 HydrophobicContact CG2-CG2 4.14Å; D633-I635 VanDerWaalsContact C-N 3.33Å; D633-I635 PolarHBondContact O-N 3.08Å; I635-I637 PolarHBondContact O-N 3.05Å; I635-I637 VanDerWaalsContact O-N 3.14Å
636P91.5Very high86.6Confident16 Ų1645.2 Ų45.210%0.10423%0.233CC..PPolyproline II helixtrans-57.1116.7173.2-28.837.1000113.9G604 V605 L688 L691 V692 Q695G604-P636 WeakPolarHBondContact CA-O 3.45Å; V605-P636 PolarHBondContact N-O 3.34Å; P636-L688 HydrophobicContact CB-CD1 3.84Å; P636-L688 WeakPolarHBondContact O-CD1 3.44Å; P636-L691 HydrophobicContact CB-CB 4.12Å; P636-L691 HydrophobicContact CG-CB 4.29Å; P636-V692 HydrophobicContact CB-CG2 4.24Å; P636-V692 HydrophobicContact CG-CG2 4.2Å; P636-Q695 VanDerWaalsContact CG-OE1 3.25Å
637I92.9Very high86.4Confident16 Ų1647.5 Ų47.58%0.08224%0.241CC..EExtended strand (participates in β ladder)trans-102.6132.9173.2-55.5175.3000110.3V605 L607 V624 I627 I635 T668 L669V605-I637 HydrophobicContact CB-CG1 4.4Å; V605-I637 WeakPolarHBondContact O-CA 3.47Å; L607-I637 HydrophobicContact CB-CG2 4.1Å; V624-I637 HydrophobicContact CG1-CD1 4.28Å; V624-I637 HydrophobicContact CG2-CD1 4.5Å; I627-I637 HydrophobicContact CB-CD1 4.36Å; I627-I637 HydrophobicContact CD1-CD1 4.01Å; I627-I637 HydrophobicContact CG2-CD1 4.05Å; I635-I637 PolarHBondContact O-N 3.05Å; I635-I637 VanDerWaalsContact O-N 3.14Å; I637-T668 HydrophobicContact CB-CG2 3.7Å; I637-T668 HydrophobicContact CD1-CG2 4.49Å; I637-T668 HydrophobicContact CG2-CG2 3.96Å; I637-T668 WeakPolarHBondContact O-CB 3.38Å; I637-L669 PolarHBondContact O-N 2.86Å
638M94.8Very high85.3Confident4 Ų456.1 Ų56.12%0.0228%0.282CS..EExtended strand (participates in β ladder)trans-112.1113.8168.8167.363.883.800109.6V605 L606 L607 V640 L669 C671 A684 H687 L688V605-M638 PolarHBondContact O-N 2.95Å; L606-M638 HydrophobicContact CD2-CB 4.04Å; L606-M638 HydrophobicContact CD2-CG 3.83Å; L607-M638 PolarHBondContact N-O 3.42Å; M638-V640 HydrophobicContact CG-CG2 3.81Å; M638-L669 HydrophobicContact CB-CB 4.37Å; M638-L669 HydrophobicContact CE-CB 3.45Å; M638-L669 VanDerWaalsContact CE-CB 3.45Å; M638-L669 HydrophobicContact CE-CD1 3.57Å; M638-L669 HydrophobicContact CE-CG 4.18Å; M638-L669 HydrophobicContact SD-CB 3.54Å; M638-L669 VanDerWaalsContact SD-CB 3.54Å; M638-C671 HydrophobicContact SD-CB 4.12Å; M638-A684 WeakPolarHBondContact CE-O 3.48Å; M638-H687 HydrophobicContact CE-CB 3.67Å; M638-L688 HydrophobicContact CB-CB 4.11Å; M638-L688 HydrophobicContact CB-CD1 4.13Å; M638-L688 HydrophobicContact CB-CD2 4.2Å; M638-L688 HydrophobicContact CB-CG 4.38Å
639L95.3Very high84Confident4 Ų457.6 Ų57.62%0.02129%0.293CS..EExtended strand (participates in β ladder)trans-82.3122175.9-178.763.8000110.6L607 Y609 V620 L662 A663 L669 F670 C671L607-L639 HydrophobicContact CG-CD1 4.26Å; Y609-L639 HydrophobicContact CD1-CD1 3.75Å; Y609-L639 HydrophobicContact CD1-CG 4.26Å; Y609-L639 HydrophobicContact CE1-CD1 3.99Å; Y609-L639 HydrophobicContact CE1-CD2 4.34Å; Y609-L639 HydrophobicContact CE1-CG 3.99Å; V620-L639 HydrophobicContact CB-CD1 4.47Å; V620-L639 HydrophobicContact CG1-CD1 3.57Å; V620-L639 HydrophobicContact CG2-CD1 3.96Å; L639-L662 HydrophobicContact CD2-CB 4.37Å; L639-L662 HydrophobicContact CD2-CD2 4.15Å; L639-A663 HydrophobicContact CD2-CB 4.26Å; L639-L669 WeakPolarHBondContact CB-O 3.5Å; L639-L669 PolarHBondContact N-O 3.08Å; L639-F670 HydrophobicContact CB-CD2 4.31Å; L639-F670 HydrophobicContact CD2-CD2 4.08Å; L639-F670 HydrophobicContact CG-CD2 4.09Å; L639-F670 WeakPolarHBondContact O-CA 3.27Å; L639-F670 WeakPolarHBondContact O-CD2 3.37Å; L639-C671 PolarHBondContact O-N 2.85Å
640V95.4Very high82.6Confident0 Ų053 Ų530%028%0.275CS..EExtended strand (participates in β ladder)trans-119.1111.7-172.91790000111F543 L606 L607 L608 Y609 M638 N642 C671 T673F543-V640 HydrophobicContact CE2-CG1 4.03Å; L606-V640 HydrophobicContact CD2-CG2 4.13Å; L607-V640 PolarHBondContact O-N 3.08Å; L608-V640 WeakPolarHBondContact CA-O 3.38Å; L608-V640 HydrophobicContact CD1-CB 4.49Å; L608-V640 HydrophobicContact CG-CB 4.02Å; L608-V640 HydrophobicContact CG-CG1 4.12Å; Y609-V640 WeakPolarHBondContact CD1-O 3.38Å; Y609-V640 PolarHBondContact N-O 3.15Å; M638-V640 HydrophobicContact CG-CG2 3.81Å; V640-N642 PolarHBondContact O-N 3.39Å; V640-C671 WeakPolarHBondContact CA-O 2.99Å; V640-T673 HydrophobicContact CG1-CG2 3.87Å; V640-T673 VanDerWaalsContact CG1-OG1 3.24Å; V640-T673 WeakPolarHBondContact CG1-OG1 3.44Å
641G94.8Very high81.5Confident0 Ų061 Ų610%032%0.316CS..EExtended strand (participates in β ladder)trans-82.796169.600000110.9C671 E672 T673G641-C671 PolarHBondContact N-O 3.38Å; G641-E672 CarbonylContact O-C 3.55Å; G641-E672 WeakPolarHBondContact O-CA 3.36Å; G641-T673 PolarHBondContact O-N 2.97Å
642N92.9Very high81.1Confident2 Ų268.7 Ų68.71%0.01135%0.347CS..EExtended strand (participates in β ladder)trans-86165.4-176.6-165.124.3000112.9V538 Y609 V611 V640 T673 A675V538-N642 PolarHBondContact O-ND2 3.29Å; Y609-N642 PolarHBondContact O-N 3.07Å; V611-N642 WeakPolarHBondContact CB-O 3.29Å; V611-N642 WeakPolarHBondContact CG2-O 3.34Å; V611-N642 PolarHBondContact N-O 3.34Å; V640-N642 PolarHBondContact O-N 3.39Å; N642-T673 CarbonylContact C-O 3.53Å; N642-T673 WeakPolarHBondContact CA-O 3.38Å; N642-T673 PolarHBondContact OD1-O 3.46Å; N642-A675 PolarHBondContact OD1-N 2.86Å
643K91.1Very high82.1Confident51 Ų5161.6 Ų61.622%0.22232%0.318CS..  trans6431.7-179.5-45.3-176.4-163.6168.20114.3A537 V538 D610 D645 L646 T673A537-K643 WeakPolarHBondContact O-CE 3.26Å; A537-K643 PolarHBondContact O-NZ 3.01Å; V538-K643 WeakPolarHBondContact O-CE 3.46Å; D610-K643 WeakPolarHBondContact OD2-CD 3.38Å; D610-K643 WeakPolarHBondContact OD2-CE 3.42Å; D610-K643 IonicContact OD2-NZ 3.5Å; D610-K643 PolarHBondContact OD2-NZ 2.87Å; K643-D645 PolarHBondContact O-N 3.16Å; K643-L646 HydrophobicContact CB-CD1 4.28Å; K643-L646 HydrophobicContact CD-CD1 4.35Å; K643-L646 PolarHBondContact O-N 2.83Å; K643-T673 PolarHBondContact N-O 3.03Å
644C90.8Very high82.7Confident32 Ų3256 Ų5622%0.21629%0.288CS..G310 helixtrans-60.6-17.8-179.369.80000114.2L646 R647 E672 T673C644-L646 VanDerWaalsContact C-N 3.33Å; C644-R647 VanDerWaalsContact O-CB 3.28Å; C644-R647 WeakPolarHBondContact O-CB 3.42Å; C644-R647 PolarHBondContact O-N 3.09Å; C644-E672 HydrophobicContact CB-CB 4.41Å; C644-T673 PolarHBondContact N-O 2.99Å; C644-T673 PolarHBondContact SG-O 2.91Å; C644-T673 VanDerWaalsContact SG-O 3.37Å
645D88.9Confident83.2Confident20 Ų2052.5 Ų52.511%0.10727%0.273CS..G310 helixtrans-63.1-35.7173.262.9-78.5000112.7K643 R647 S674 K676 D677K643-D645 PolarHBondContact O-N 3.16Å; D645-R647 PolarHBondContact O-N 3.22Å; D645-S674 VanDerWaalsContact CG-OG 3.32Å; D645-S674 WeakPolarHBondContact OD1-CB 3.25Å; D645-S674 PolarHBondContact OD1-OG 3.09Å; D645-K676 HydrophobicContact CB-CD 4.32Å; D645-K676 WeakPolarHBondContact OD2-CD 3.26Å; D645-K676 WeakPolarHBondContact OD2-CE 3.29Å; D645-K676 IonicContact OD2-NZ 3.09Å; D645-K676 PolarHBondContact OD2-NZ 3.23Å; D645-D677 VanDerWaalsContact CB-OD2 3.29Å; D645-D677 WeakPolarHBondContact CB-OD2 3.46Å
646L84.1Confident83.3Confident62 Ų6254.2 Ų54.233%0.32528%0.284SS..G310 helixtrans-77.40.1179.7-57.5-178.9000113.1N612 K643 C644 Q648 D649N612-L646 VanDerWaalsContact ND2-CB 3.25Å; N612-L646 WeakPolarHBondContact ND2-CB 3.39Å; N612-L646 PolarHBondContact ND2-O 3.11Å; K643-L646 HydrophobicContact CB-CD1 4.28Å; K643-L646 HydrophobicContact CD-CD1 4.35Å; K643-L646 PolarHBondContact O-N 2.83Å; C644-L646 VanDerWaalsContact C-N 3.33Å; L646-Q648 PolarHBondContact O-N 2.92Å; L646-D649 PolarHBondContact O-N 3.34Å
647R80.8Confident83.3Confident62 Ų6256.2 Ų56.223%0.23430%0.299CS..G310 helixtrans-66.1-27.7178-177.2178.8-88.3150.6-5.2112.1C644 D645 D649 V654 T656 E672C644-R647 VanDerWaalsContact O-CB 3.28Å; C644-R647 WeakPolarHBondContact O-CB 3.42Å; C644-R647 PolarHBondContact O-N 3.09Å; D645-R647 PolarHBondContact O-N 3.22Å; R647-D649 VanDerWaalsContact C-N 3.26Å; R647-D649 PolarHBondContact O-N 3Å; R647-V654 PolarHBondContact NH2-O 2.83Å; R647-T656 PolarHBondContact NH1-OG1 3.37Å; R647-T656 VanDerWaalsContact NH1-OG1 3.13Å; R647-E672 IonicContact CZ-OE1 3.37Å; R647-E672 IonicContact CZ-OE2 2.62Å; R647-E672 IonicContact NH1-OE1 3.61Å; R647-E672 PolarHBondContact NH1-OE1 2.71Å; R647-E672 IonicContact NH1-OE2 2.64Å; R647-E672 PolarHBondContact NH1-OE2 2.98Å; R647-E672 IonicContact NH2-OE1 2.66Å; R647-E672 PolarHBondContact NH2-OE1 3.29Å; R647-E672 IonicContact NH2-OE2 3.37Å
648Q64.9Low83.2Confident183 Ų18361.6 Ų61.686%0.85532%0.319SS*.G310 helixtrans-70.1-22.4-178.2-59.4-170.829.700113.2L646L646-Q648 PolarHBondContact O-N 2.92Å
649D59.9Low83Confident144 Ų14461.4 Ų61.477%0.7732%0.318SS*.G310 helixtrans-96.8-0.8-177.3-62-48.3000113.6L646 R647L646-D649 PolarHBondContact O-N 3.34Å; R647-D649 VanDerWaalsContact C-N 3.26Å; R647-D649 PolarHBondContact O-N 3Å
650G56.6Low82.8Confident24 Ų2466 Ų6625%0.24734%0.339CS..  trans-141.3106.2-160.900000117.4K652 S653G650-K652 PolarHBondContact O-N 2.99Å; G650-S653 PolarHBondContact O-N 3.05Å; G650-S653 PolarHBondContact O-OG 3.35Å
651D58.6Low82.7Confident179 Ų17971.9 Ų71.996%0.95737%0.365SS*.THydrogen-bonded Turntrans-66.76.8174.6-132.617.5000114.8
652K67.8Low82.6Confident185 Ų18572.5 Ų72.580%0.80437%0.368SS*.THydrogen-bonded Turntrans-124.417-177.8-66.9-171.8176.4-176.50113.6G650G650-K652 PolarHBondContact O-N 2.99Å
653S82.3Confident82.6Confident32 Ų3272.5 Ų72.522%0.22437%0.369CS..PPolyproline II helixtrans-75.5139.517948.40000111.8V611 N612 G650V611-S653 CarbonylContact O-C 3.58Å; V611-S653 WeakPolarHBondContact O-CA 3.42Å; N612-S653 WeakPolarHBondContact OD1-CB 3.49Å; G650-S653 PolarHBondContact O-N 3.05Å; G650-S653 PolarHBondContact O-OG 3.35Å
654V85.8Confident82.6Confident8 Ų876.7 Ų76.75%0.04839%0.391CS..PPolyproline II helixtrans-66.3126.4172.7-179.70000108.1V611 E614 F617 R647V611-V654 PolarHBondContact O-N 2.88Å; E614-V654 HydrophobicContact CB-CG2 4.17Å; F617-V654 HydrophobicContact CB-CG1 4.49Å; F617-V654 HydrophobicContact CB-CG2 3.97Å; F617-V654 HydrophobicContact CD1-CG1 3.84Å; F617-V654 HydrophobicContact CD1-CG2 4.28Å; F617-V654 HydrophobicContact CD2-CG1 4.11Å; F617-V654 HydrophobicContact CE1-CG1 4.05Å; F617-V654 HydrophobicContact CE2-CG1 4.3Å; F617-V654 HydrophobicContact CG-CG1 3.87Å; F617-V654 HydrophobicContact CG-CG2 4.18Å; F617-V654 HydrophobicContact CZ-CG1 4.27Å; R647-V654 PolarHBondContact NH2-O 2.83Å
655P89.1Confident82.6Confident56 Ų5680.5 Ų80.536%0.36441%0.413SS..PPolyproline II helixtrans-76.5146.7-178.230.2-35.1000112.1S657 Y658P655-S657 PolarHBondContact O-N 2.68Å; P655-Y658 HydrophobicContact CG-CD2 3.59Å; P655-Y658 HydrophobicContact CG-CE2 4.1Å; P655-Y658 HydrophobicContact CG-CG 3.9Å; P655-Y658 WeakPolarHBondContact O-CB 3.31Å; P655-Y658 PolarHBondContact O-N 3.45Å
656T90.3Very high82.5Confident58 Ų5882.4 Ų82.436%0.35642%0.419SS..Hα-helixtrans-49-36.9178.3-43.90000113.3R647 Y658 G659 Q660 F670 E672R647-T656 PolarHBondContact NH1-OG1 3.37Å; R647-T656 VanDerWaalsContact NH1-OG1 3.13Å; T656-Y658 PolarHBondContact O-N 2.85Å; T656-G659 PolarHBondContact O-N 2.87Å; T656-Q660 WeakPolarHBondContact O-CB 3.31Å; T656-Q660 PolarHBondContact O-N 3.42Å; T656-F670 HydrophobicContact CG2-CE1 3.85Å; T656-F670 HydrophobicContact CG2-CZ 4.44Å; T656-E672 VanDerWaalsContact CA-OE1 3.25Å; T656-E672 WeakPolarHBondContact CA-OE1 3.23Å; T656-E672 HydrophobicContact CG2-CG 4.22Å; T656-E672 WeakPolarHBondContact CG2-OE2 3.38Å; T656-E672 VanDerWaalsContact OG1-CD 3.25Å; T656-E672 PolarHBondContact OG1-OE1 3.06Å; T656-E672 PolarHBondContact OG1-OE2 3.45Å
657S91.6Very high82.7Confident59 Ų5986.3 Ų86.341%0.41344%0.44SS..Hα-helixtrans-70.5-11.8179.963.60000114.5P655 K661P655-S657 PolarHBondContact O-N 2.68Å; S657-K661 WeakPolarHBondContact O-CD 3.31Å; S657-K661 WeakPolarHBondContact O-CG 3.2Å
658Y91.4Very high83.2Confident129 Ų12984.5 Ų84.551%0.50644%0.436SS..Hα-helixtrans-89.4-42.6170.8-84.1-137000110.6F617 P655 T656 K661 L662F617-Y658 HydrophobicContact CE1-CD1 4.49Å; P655-Y658 HydrophobicContact CG-CD2 3.59Å; P655-Y658 HydrophobicContact CG-CE2 4.1Å; P655-Y658 HydrophobicContact CG-CG 3.9Å; P655-Y658 WeakPolarHBondContact O-CB 3.31Å; P655-Y658 PolarHBondContact O-N 3.45Å; T656-Y658 PolarHBondContact O-N 2.85Å; Y658-K661 PolarHBondContact O-N 3.16Å; Y658-L662 PolarHBondContact O-N 3.23Å
659G90.2Very high84.5Confident0 Ų078.3 Ų78.30%041%0.409CS..Hα-helixtrans-57.8-48.517200000112.3T656 K661 L662 A663T656-G659 PolarHBondContact O-N 2.87Å; G659-K661 VanDerWaalsContact C-N 3.35Å; G659-K661 PolarHBondContact O-N 2.83Å; G659-L662 PolarHBondContact O-N 3.39Å; G659-A663 PolarHBondContact O-N 3.15Å
660Q92.3Very high86.2Confident99 Ų9973.9 Ų73.946%0.46338%0.382SS..Hα-helixtrans-61.7-38.6176.6-169.2178.127.700113T656 M664 F670T656-Q660 WeakPolarHBondContact O-CB 3.31Å; T656-Q660 PolarHBondContact O-N 3.42Å; Q660-M664 HydrophobicContact CG-CE 3.95Å; Q660-M664 HydrophobicContact CG-SD 4.39Å; Q660-M664 WeakPolarHBondContact O-CB 3.45Å; Q660-M664 VanDerWaalsContact O-CG 3.25Å; Q660-M664 WeakPolarHBondContact O-CG 3.42Å; Q660-M664 PolarHBondContact O-N 3.15Å; Q660-F670 HydrophobicContact CB-CD1 3.94Å; Q660-F670 HydrophobicContact CB-CE1 4.17Å
661K93.6Very high88Confident125 Ų12573.7 Ų73.754%0.54338%0.377SS..Hα-helixtrans-67.6-40174.7-78.9172.3-169.5173.20112.2S657 Y658 G659 A663 M664 T665S657-K661 WeakPolarHBondContact O-CD 3.31Å; S657-K661 WeakPolarHBondContact O-CG 3.2Å; Y658-K661 PolarHBondContact O-N 3.16Å; G659-K661 VanDerWaalsContact C-N 3.35Å; G659-K661 PolarHBondContact O-N 2.83Å; K661-A663 VanDerWaalsContact C-N 3.35Å; K661-M664 PolarHBondContact O-N 3.22Å; K661-T665 PolarHBondContact O-N 2.83Å; K661-T665 PolarHBondContact O-OG1 3.44Å
662L91.6Very high89.7Confident12 Ų1266.5 Ų66.56%0.06334%0.338CS..Hα-helixtrans-62.8-46.2177.9-167.969.5000110.1F617 V620 L639 Y658 G659 M664 T665 Y666F617-L662 HydrophobicContact CD2-CD2 4.16Å; F617-L662 HydrophobicContact CE2-CB 4.12Å; F617-L662 HydrophobicContact CE2-CD2 3.5Å; F617-L662 VanDerWaalsContact CE2-CD2 3.5Å; F617-L662 HydrophobicContact CE2-CG 4.42Å; F617-L662 HydrophobicContact CZ-CB 4.1Å; F617-L662 HydrophobicContact CZ-CD2 3.86Å; F617-L662 HydrophobicContact CZ-CG 4.48Å; V620-L662 HydrophobicContact CB-CD2 3.94Å; V620-L662 HydrophobicContact CG1-CD2 3.66Å; L639-L662 HydrophobicContact CD2-CB 4.37Å; L639-L662 HydrophobicContact CD2-CD2 4.15Å; Y658-L662 PolarHBondContact O-N 3.23Å; G659-L662 PolarHBondContact O-N 3.39Å; L662-M664 PolarHBondContact O-N 2.89Å; L662-T665 WeakPolarHBondContact O-CB 3.46Å; L662-T665 PolarHBondContact O-N 2.89Å; L662-Y666 HydrophobicContact CD1-CD2 4.14Å; L662-Y666 HydrophobicContact CD1-CE2 3.79Å; L662-Y666 HydrophobicContact CG-CD2 4.26Å; L662-Y666 HydrophobicContact CG-CE2 4.34Å; L662-Y666 WeakPolarHBondContact O-CD2 3.46Å; L662-Y666 PolarHBondContact O-N 3.15Å
663A92.2Very high91Very high3 Ų357.7 Ų57.73%0.02530%0.299CS..Hα-helixtrans-61-43.2175.900000112.8L639 G659 K661 T665 Y666 N667 T668 F670L639-A663 HydrophobicContact CD2-CB 4.26Å; G659-A663 PolarHBondContact O-N 3.15Å; K661-A663 VanDerWaalsContact C-N 3.35Å; A663-T665 PolarHBondContact O-N 3.45Å; A663-Y666 CarbonylContact O-C 3.59Å; A663-Y666 PolarHBondContact O-N 2.91Å; A663-N667 CarbonylContact O-C 3.57Å; A663-N667 WeakPolarHBondContact O-CA 3.32Å; A663-N667 PolarHBondContact O-N 2.88Å; A663-T668 VanDerWaalsContact CA-OG1 3.32Å; A663-T668 WeakPolarHBondContact CA-OG1 3.35Å; A663-T668 WeakPolarHBondContact CB-OG1 3.47Å; A663-T668 PolarHBondContact O-N 3.03Å; A663-F670 HydrophobicContact CB-CB 3.69Å; A663-F670 HydrophobicContact CB-CG 4.42Å
664M91.3Very high91.5Very high139 Ų13956.1 Ų56.169%0.68529%0.289SS*.Hα-helixtrans-61-26.5172.4-74.3172.2173.800114.1Q660 K661 L662Q660-M664 HydrophobicContact CG-CE 3.95Å; Q660-M664 HydrophobicContact CG-SD 4.39Å; Q660-M664 WeakPolarHBondContact O-CB 3.45Å; Q660-M664 VanDerWaalsContact O-CG 3.25Å; Q660-M664 WeakPolarHBondContact O-CG 3.42Å; Q660-M664 PolarHBondContact O-N 3.15Å; K661-M664 PolarHBondContact O-N 3.22Å; L662-M664 PolarHBondContact O-N 2.89Å
665T90.8Very high91.8Very high111 Ų11156 Ų5668%0.68129%0.288SS*.Hα-helixtrans-77.2-38.3177.1-58.20000112.1K661 L662 A663K661-T665 PolarHBondContact O-N 2.83Å; K661-T665 PolarHBondContact O-OG1 3.44Å; L662-T665 WeakPolarHBondContact O-CB 3.46Å; L662-T665 PolarHBondContact O-N 2.89Å; A663-T665 PolarHBondContact O-N 3.45Å
666Y87.5Confident91.7Very high61 Ų6157.3 Ų57.324%0.23929%0.288CS..THydrogen-bonded Turntrans-98.812-179.7-69.6-85.4000113.2R621 V624 L662 A663 T668R621-Y666 HydrophobicContact CG-CE2 4.27Å; R621-Y666 WeakPolarHBondContact CG-OH 3.5Å; V624-Y666 HydrophobicContact CB-CD1 4.24Å; V624-Y666 HydrophobicContact CB-CE1 4.26Å; V624-Y666 HydrophobicContact CG1-CD1 3.51Å; V624-Y666 HydrophobicContact CG1-CE1 3.87Å; V624-Y666 HydrophobicContact CG1-CG 4.18Å; L662-Y666 HydrophobicContact CD1-CD2 4.14Å; L662-Y666 HydrophobicContact CD1-CE2 3.79Å; L662-Y666 HydrophobicContact CG-CD2 4.26Å; L662-Y666 HydrophobicContact CG-CE2 4.34Å; L662-Y666 WeakPolarHBondContact O-CD2 3.46Å; L662-Y666 PolarHBondContact O-N 3.15Å; A663-Y666 CarbonylContact O-C 3.59Å; A663-Y666 PolarHBondContact O-N 2.91Å; Y666-T668 WeakPolarHBondContact O-CG2 3.41Å; Y666-T668 PolarHBondContact O-N 2.95Å; Y666-T668 VanDerWaalsContact O-N 3.08Å
667N88.9Confident91.6Very high143 Ų14359.1 Ų59.177%0.76530%0.296SS*.THydrogen-bonded Turntrans54.921.9-176.7-165.752.2000115.3A663A663-N667 CarbonylContact O-C 3.57Å; A663-N667 WeakPolarHBondContact O-CA 3.32Å; A663-N667 PolarHBondContact O-N 2.88Å
668T90.8Very high91.5Very high24 Ų2457.6 Ų57.615%0.14729%0.289CS..  trans-88.5161.6-176.664.50000112.3I637 A663 Y666I637-T668 HydrophobicContact CB-CG2 3.7Å; I637-T668 HydrophobicContact CD1-CG2 4.49Å; I637-T668 HydrophobicContact CG2-CG2 3.96Å; I637-T668 WeakPolarHBondContact O-CB 3.38Å; A663-T668 VanDerWaalsContact CA-OG1 3.32Å; A663-T668 WeakPolarHBondContact CA-OG1 3.35Å; A663-T668 WeakPolarHBondContact CB-OG1 3.47Å; A663-T668 PolarHBondContact O-N 3.03Å; Y666-T668 WeakPolarHBondContact O-CG2 3.41Å; Y666-T668 PolarHBondContact O-N 2.95Å; Y666-T668 VanDerWaalsContact O-N 3.08Å
669L92.3Very high91.4Very high54 Ų5453.8 Ų53.828%0.28328%0.281SS..EExtended strand (participates in β ladder)trans-75.3157.8168-66.5-176000110.9I637 M638 L639 H687 L691I637-L669 PolarHBondContact O-N 2.86Å; M638-L669 HydrophobicContact CB-CB 4.37Å; M638-L669 HydrophobicContact CE-CB 3.45Å; M638-L669 VanDerWaalsContact CE-CB 3.45Å; M638-L669 HydrophobicContact CE-CD1 3.57Å; M638-L669 HydrophobicContact CE-CG 4.18Å; M638-L669 HydrophobicContact SD-CB 3.54Å; M638-L669 VanDerWaalsContact SD-CB 3.54Å; L639-L669 WeakPolarHBondContact CB-O 3.5Å; L639-L669 PolarHBondContact N-O 3.08Å; L669-H687 HydrophobicContact CD1-CB 4.22Å; L669-L691 HydrophobicContact CD1-CD1 3.47Å; L669-L691 VanDerWaalsContact CD1-CD1 3.47Å; L669-L691 HydrophobicContact CD1-CG 3.93Å; L669-L691 HydrophobicContact CD2-CD1 4.09Å; L669-L691 HydrophobicContact CG-CD1 3.63Å
670F95.1Very high91.4Very high50 Ų5057.8 Ų57.822%0.21930%0.303CS..EExtended strand (participates in β ladder)trans-136.5136179.2179.3-115.7000113Y609 L639 T656 Q660 A663 E672Y609-F670 HydrophobicContact CE1-CE2 4.19Å; Y609-F670 WeakPolarHBondContact OH-CE2 3.41Å; L639-F670 HydrophobicContact CB-CD2 4.31Å; L639-F670 HydrophobicContact CD2-CD2 4.08Å; L639-F670 HydrophobicContact CG-CD2 4.09Å; L639-F670 WeakPolarHBondContact O-CA 3.27Å; L639-F670 WeakPolarHBondContact O-CD2 3.37Å; T656-F670 HydrophobicContact CG2-CE1 3.85Å; T656-F670 HydrophobicContact CG2-CZ 4.44Å; Q660-F670 HydrophobicContact CB-CD1 3.94Å; Q660-F670 HydrophobicContact CB-CE1 4.17Å; A663-F670 HydrophobicContact CB-CB 3.69Å; A663-F670 HydrophobicContact CB-CG 4.42Å; F670-E672 HydrophobicContact CE1-CG 4Å; F670-E672 HydrophobicContact CE2-CG 4.4Å; F670-E672 HydrophobicContact CZ-CG 3.55Å
671C94.9Very high91.4Very high20 Ų2053.3 Ų53.314%0.13528%0.282CS..EExtended strand (participates in β ladder)trans-144.7146.7172.2-157.80000111.7M638 L639 V640 G641 T673 A684M638-C671 HydrophobicContact SD-CB 4.12Å; L639-C671 PolarHBondContact O-N 2.85Å; V640-C671 WeakPolarHBondContact CA-O 2.99Å; G641-C671 PolarHBondContact N-O 3.38Å; C671-T673 HydrophobicContact CB-CG2 4.38Å; C671-A684 HydrophobicContact CB-CB 3.93Å
672E94.2Very high91.3Very high28 Ų2851.5 Ų51.513%0.13128%0.278CS..EExtended strand (participates in β ladder)trans-105.5129.5167.6-64.6-166.7143.100109.7G641 C644 R647 T656 F670 N680G641-E672 CarbonylContact O-C 3.55Å; G641-E672 WeakPolarHBondContact O-CA 3.36Å; C644-E672 HydrophobicContact CB-CB 4.41Å; R647-E672 IonicContact CZ-OE1 3.37Å; R647-E672 IonicContact CZ-OE2 2.62Å; R647-E672 IonicContact NH1-OE1 3.61Å; R647-E672 PolarHBondContact NH1-OE1 2.71Å; R647-E672 IonicContact NH1-OE2 2.64Å; R647-E672 PolarHBondContact NH1-OE2 2.98Å; R647-E672 IonicContact NH2-OE1 2.66Å; R647-E672 PolarHBondContact NH2-OE1 3.29Å; R647-E672 IonicContact NH2-OE2 3.37Å; T656-E672 VanDerWaalsContact CA-OE1 3.25Å; T656-E672 WeakPolarHBondContact CA-OE1 3.23Å; T656-E672 HydrophobicContact CG2-CG 4.22Å; T656-E672 WeakPolarHBondContact CG2-OE2 3.38Å; T656-E672 VanDerWaalsContact OG1-CD 3.25Å; T656-E672 PolarHBondContact OG1-OE1 3.06Å; T656-E672 PolarHBondContact OG1-OE2 3.45Å; F670-E672 HydrophobicContact CE1-CG 4Å; F670-E672 HydrophobicContact CE2-CG 4.4Å; F670-E672 HydrophobicContact CZ-CG 3.55Å; E672-N680 WeakPolarHBondContact O-CB 3.45Å; E672-N680 PolarHBondContact O-ND2 3.27Å
673T94.5Very high91.3Very high0 Ų055.2 Ų55.20%030%0.295CS..  trans-136.1160.5-169.167.30000112.4F543 V640 G641 N642 K643 C644 C671 S679 N680 A684F543-T673 HydrophobicContact CE2-CG2 4.16Å; V640-T673 HydrophobicContact CG1-CG2 3.87Å; V640-T673 VanDerWaalsContact CG1-OG1 3.24Å; V640-T673 WeakPolarHBondContact CG1-OG1 3.44Å; G641-T673 PolarHBondContact O-N 2.97Å; N642-T673 CarbonylContact C-O 3.53Å; N642-T673 WeakPolarHBondContact CA-O 3.38Å; N642-T673 PolarHBondContact OD1-O 3.46Å; K643-T673 PolarHBondContact N-O 3.03Å; C644-T673 PolarHBondContact N-O 2.99Å; C644-T673 PolarHBondContact SG-O 2.91Å; C644-T673 VanDerWaalsContact SG-O 3.37Å; C671-T673 HydrophobicContact CB-CG2 4.38Å; T673-S679 VanDerWaalsContact CA-O 3.32Å; T673-S679 WeakPolarHBondContact CA-O 3.49Å; T673-S679 WeakPolarHBondContact CB-O 3.4Å; T673-N680 HydrophobicContact CG2-CB 3.98Å; T673-A684 HydrophobicContact CG2-CB 4.24Å
674S93.3Very high91.3Very high0 Ų055 Ų550%029%0.294CS..  trans-134.1114.5167174.90000111.5D645 K676 D677 G678 S679 I681D645-S674 VanDerWaalsContact CG-OG 3.32Å; D645-S674 WeakPolarHBondContact OD1-CB 3.25Å; D645-S674 PolarHBondContact OD1-OG 3.09Å; S674-K676 PolarHBondContact O-N 3.29Å; S674-K676 PolarHBondContact OG-N 3.09Å; S674-D677 PolarHBondContact O-N 3.12Å; S674-D677 PolarHBondContact OG-N 3.38Å; S674-D677 VanDerWaalsContact OG-N 3.15Å; S674-G678 CarbonylContact O-C 3.55Å; S674-G678 WeakPolarHBondContact O-CA 3.42Å; S674-G678 PolarHBondContact O-N 2.7Å; S674-S679 PolarHBondContact N-O 3.1Å; S674-S679 VanDerWaalsContact N-O 3.14Å; S674-S679 PolarHBondContact O-N 2.82Å; S674-I681 WeakPolarHBondContact O-CD1 3.29Å
675A91.3Very high91.4Very high4 Ų448.5 Ų48.53%0.03326%0.261CS..THydrogen-bonded Turntrans-55.6-31.4169.700000113.4R546 F552 N642R546-A675 PolarHBondContact NE-O 2.81Å; F552-A675 HydrophobicContact CD2-CB 4.16Å; F552-A675 WeakPolarHBondContact CD2-O 3.47Å; F552-A675 HydrophobicContact CE2-CB 4.24Å; N642-A675 PolarHBondContact OD1-N 2.86Å
676K88.6Confident91.5Very high85 Ų8544.3 Ų44.337%0.3724%0.235SC..THydrogen-bonded Turntrans-74.1-50.9-179.3176.6-154.4-177.6-166.20111.4R546 F552 D645 S674R546-K676 PolarHBondContact NH2-O 3.11Å; F552-K676 HydrophobicContact CD1-CB 4.23Å; F552-K676 HydrophobicContact CD1-CG 4.21Å; F552-K676 HydrophobicContact CD2-CB 4.32Å; F552-K676 HydrophobicContact CE1-CB 3.96Å; F552-K676 HydrophobicContact CE1-CG 3.91Å; F552-K676 HydrophobicContact CE2-CB 4.06Å; F552-K676 HydrophobicContact CG-CB 4.41Å; F552-K676 HydrophobicContact CZ-CB 3.87Å; F552-K676 HydrophobicContact CZ-CG 4.27Å; D645-K676 HydrophobicContact CB-CD 4.32Å; D645-K676 WeakPolarHBondContact OD2-CD 3.26Å; D645-K676 WeakPolarHBondContact OD2-CE 3.29Å; D645-K676 IonicContact OD2-NZ 3.09Å; D645-K676 PolarHBondContact OD2-NZ 3.23Å; S674-K676 PolarHBondContact O-N 3.29Å; S674-K676 PolarHBondContact OG-N 3.09Å
677D87.9Confident91.7Very high96 Ų9645.5 Ų45.551%0.51324%0.242SC..THydrogen-bonded Turntrans-86.2-16.1-176.4-63.5-3.3000112.8D645 S674 S679D645-D677 VanDerWaalsContact CB-OD2 3.29Å; D645-D677 WeakPolarHBondContact CB-OD2 3.46Å; S674-D677 PolarHBondContact O-N 3.12Å; S674-D677 PolarHBondContact OG-N 3.38Å; S674-D677 VanDerWaalsContact OG-N 3.15Å; D677-S679 VanDerWaalsContact C-N 3.29Å
678G88.1Confident91.9Very high27 Ų2738.7 Ų38.728%0.27821%0.206SC..  trans86.9-8.2-17500000114.3S674 N680S674-G678 CarbonylContact O-C 3.55Å; S674-G678 WeakPolarHBondContact O-CA 3.42Å; S674-G678 PolarHBondContact O-N 2.7Å; G678-N680 PolarHBondContact O-N 3.16Å
679S90.8Very high91.9Very high48 Ų4837.7 Ų37.734%0.33620%0.2SC..THydrogen-bonded Turntrans-58128.8-172.1-54.30000113.6T673 S674 D677 I681T673-S679 VanDerWaalsContact CA-O 3.32Å; T673-S679 WeakPolarHBondContact CA-O 3.49Å; T673-S679 WeakPolarHBondContact CB-O 3.4Å; S674-S679 PolarHBondContact N-O 3.1Å; S674-S679 VanDerWaalsContact N-O 3.14Å; S674-S679 PolarHBondContact O-N 2.82Å; D677-S679 VanDerWaalsContact C-N 3.29Å; S679-I681 PolarHBondContact O-N 3.39Å
680N90.3Very high91.9Very high85 Ų8538.5 Ų38.546%0.45520%0.199SC..THydrogen-bonded Turntrans61.33.4171.5-56.2-17.7000117.5E672 T673 G678 E683 A684E672-N680 WeakPolarHBondContact O-CB 3.45Å; E672-N680 PolarHBondContact O-ND2 3.27Å; T673-N680 HydrophobicContact CG2-CB 3.98Å; G678-N680 PolarHBondContact O-N 3.16Å; N680-E683 PolarHBondContact O-N 3.36Å; N680-A684 WeakPolarHBondContact O-CB 3.46Å; N680-A684 PolarHBondContact O-N 3.45Å
681I91.9Very high91.6Very high5 Ų539.4 Ų39.43%0.02621%0.206CC..Hα-helixtrans-62-49.2-177.7-63.8169.6000111.6F543 R546 L547 S674 S679 A684 V685F543-I681 HydrophobicContact CD1-CG2 4.3Å; F543-I681 HydrophobicContact CD2-CG1 4.07Å; F543-I681 HydrophobicContact CD2-CG2 4.18Å; F543-I681 HydrophobicContact CE1-CG2 3.97Å; F543-I681 HydrophobicContact CE2-CB 4.15Å; F543-I681 HydrophobicContact CE2-CG1 3.94Å; F543-I681 HydrophobicContact CE2-CG2 3.85Å; F543-I681 HydrophobicContact CG-CG2 4.39Å; F543-I681 HydrophobicContact CZ-CB 4.37Å; F543-I681 HydrophobicContact CZ-CG2 3.74Å; R546-I681 HydrophobicContact CB-CD1 3.91Å; R546-I681 HydrophobicContact CG-CD1 3.27Å; L547-I681 HydrophobicContact CB-CG2 3.9Å; L547-I681 HydrophobicContact CD1-CG2 4.19Å; S674-I681 WeakPolarHBondContact O-CD1 3.29Å; S679-I681 PolarHBondContact O-N 3.39Å; I681-A684 PolarHBondContact O-N 2.84Å; I681-V685 WeakPolarHBondContact O-CG2 3.46Å; I681-V685 PolarHBondContact O-N 2.72Å
682L91.1Very high91.4Very high86 Ų8638.7 Ų38.745%0.4520%0.201SC..Hα-helixtrans-64.5-43.2179.5-176.962.9000111.2L547 L571 A684 V685 L686L547-L682 HydrophobicContact CD1-CD1 4.36Å; L571-L682 HydrophobicContact CD1-CD1 4.12Å; L571-L682 HydrophobicContact CD2-CD1 3.87Å; L682-A684 PolarHBondContact O-N 2.96Å; L682-V685 PolarHBondContact O-N 2.86Å; L682-L686 WeakPolarHBondContact O-CB 3.47Å; L682-L686 PolarHBondContact O-N 3.08Å
683E91.3Very high91.1Very high90 Ų9038.5 Ų38.542%0.42120%0.201SC..Hα-helixtrans-60.2-43.8177.8-59.9-55.6142.300111.7N680 V685 L686 H687N680-E683 PolarHBondContact O-N 3.36Å; E683-V685 PolarHBondContact O-N 3.15Å; E683-L686 PolarHBondContact O-N 3.23Å; E683-H687 VanDerWaalsContact O-CB 3.26Å; E683-H687 WeakPolarHBondContact O-CB 3.32Å; E683-H687 PolarHBondContact O-CD2 3.43Å; E683-H687 PolarHBondContact O-N 2.89Å
684A93.1Very high90.7Very high0 Ų044.1 Ų44.10%023%0.225CC..Hα-helixtrans-60-44.9178.100000112.3F543 M638 C671 T673 N680 I681 L682 L688F543-A684 HydrophobicContact CZ-CB 4.47Å; M638-A684 WeakPolarHBondContact CE-O 3.48Å; C671-A684 HydrophobicContact CB-CB 3.93Å; T673-A684 HydrophobicContact CG2-CB 4.24Å; N680-A684 WeakPolarHBondContact O-CB 3.46Å; N680-A684 PolarHBondContact O-N 3.45Å; I681-A684 PolarHBondContact O-N 2.84Å; L682-A684 PolarHBondContact O-N 2.96Å; A684-L688 PolarHBondContact O-N 3.32Å; A684-L688 VanDerWaalsContact O-N 3.12Å
685V93.1Very high90.3Very high1 Ų147.5 Ų47.51%0.00624%0.241CC..Hα-helixtrans-70.3-40.5179.2179.60000111.5F543 L547 L571 L580 L606 I681 L682 E683 L688 A689F543-V685 HydrophobicContact CE1-CG2 3.8Å; F543-V685 HydrophobicContact CZ-CG2 3.98Å; L547-V685 HydrophobicContact CD1-CB 4.31Å; L547-V685 HydrophobicContact CD1-CG2 3.97Å; L547-V685 HydrophobicContact CD2-CG1 4.32Å; L547-V685 HydrophobicContact CD2-CG2 3.79Å; L571-V685 HydrophobicContact CD1-CB 4.49Å; L571-V685 HydrophobicContact CD1-CG1 3.77Å; L580-V685 HydrophobicContact CD1-CG1 3.65Å; L606-V685 HydrophobicContact CD1-CG2 4.15Å; I681-V685 WeakPolarHBondContact O-CG2 3.46Å; I681-V685 PolarHBondContact O-N 2.72Å; L682-V685 PolarHBondContact O-N 2.86Å; E683-V685 PolarHBondContact O-N 3.15Å; V685-L688 PolarHBondContact O-N 2.73Å; V685-A689 WeakPolarHBondContact O-CB 3.4Å; V685-A689 PolarHBondContact O-N 3.2Å
686L92.1Very high89.9Confident24 Ų2449 Ų4913%0.12625%0.248CC..Hα-helixtrans-69.4-37.9-179.9-163.7158.9000111.3L682 E683 R690L682-L686 WeakPolarHBondContact O-CB 3.47Å; L682-L686 PolarHBondContact O-N 3.08Å; E683-L686 PolarHBondContact O-N 3.23Å; L686-R690 HydrophobicContact CD2-CG 4.23Å; L686-R690 WeakPolarHBondContact O-CB 3.32Å; L686-R690 WeakPolarHBondContact O-CG 3.43Å; L686-R690 PolarHBondContact O-N 3.11Å
687H92.1Very high89.4Confident85 Ų8547.1 Ų47.139%0.39424%0.244SC..Hα-helixtrans-64.3-38.3171.2-82.6-62.4000113.1M638 L669 E683M638-H687 HydrophobicContact CE-CB 3.67Å; L669-H687 HydrophobicContact CD1-CB 4.22Å; E683-H687 VanDerWaalsContact O-CB 3.26Å; E683-H687 WeakPolarHBondContact O-CB 3.32Å; E683-H687 PolarHBondContact O-CD2 3.43Å; E683-H687 PolarHBondContact O-N 2.89Å
688L93.1Very high88.9Confident1 Ų148.2 Ų48.21%0.00524%0.244CC..Hα-helixtrans-65.7-52.1173.5177.859.3000111.1I530 L606 P636 M638 A684 V685 R690 L691 V692I530-L688 HydrophobicContact CD1-CD2 4.05Å; I530-L688 HydrophobicContact CD1-CG 4.3Å; I530-L688 HydrophobicContact CG2-CD2 3.72Å; L606-L688 HydrophobicContact CD2-CD2 3.8Å; L606-L688 HydrophobicContact CG-CD2 3.72Å; P636-L688 HydrophobicContact CB-CD1 3.84Å; P636-L688 WeakPolarHBondContact O-CD1 3.44Å; M638-L688 HydrophobicContact CB-CB 4.11Å; M638-L688 HydrophobicContact CB-CD1 4.13Å; M638-L688 HydrophobicContact CB-CD2 4.2Å; M638-L688 HydrophobicContact CB-CG 4.38Å; A684-L688 PolarHBondContact O-N 3.32Å; A684-L688 VanDerWaalsContact O-N 3.12Å; V685-L688 PolarHBondContact O-N 2.73Å; L688-R690 VanDerWaalsContact C-N 3.25Å; L688-R690 PolarHBondContact O-N 2.89Å; L688-L691 PolarHBondContact O-N 2.71Å; L688-V692 HydrophobicContact CD1-CG2 4.25Å; L688-V692 HydrophobicContact CG-CG2 4.4Å; L688-V692 PolarHBondContact O-N 3.35Å; L688-V692 VanDerWaalsContact O-N 3.14Å
689A91.5Very high88.1Confident2 Ų249.6 Ų49.62%0.01724%0.244CC..Hα-helixtrans-54.8-41.4179.100000112.1V573 L580 V685 L691 V692 I693V573-A689 HydrophobicContact CG2-CB 4.11Å; L580-A689 HydrophobicContact CD1-CB 4.39Å; L580-A689 HydrophobicContact CD2-CB 4.28Å; V685-A689 WeakPolarHBondContact O-CB 3.4Å; V685-A689 PolarHBondContact O-N 3.2Å; A689-L691 PolarHBondContact O-N 3.14Å; A689-V692 PolarHBondContact O-N 3.46Å; A689-I693 VanDerWaalsContact O-CD1 3.23Å; A689-I693 WeakPolarHBondContact O-CD1 3.42Å; A689-I693 VanDerWaalsContact O-CG1 3.23Å; A689-I693 WeakPolarHBondContact O-CG1 3.32Å; A689-I693 PolarHBondContact O-N 2.85Å
690R91.1Very high87.2Confident71 Ų7151.2 Ų51.227%0.26825%0.246SC..Hα-helixtrans-57-28.3173.1-83.2178.5167.1139.80.1114.8V573 D574 L686 L688 K694V573-R690 HydrophobicContact CG1-CB 4.43Å; V573-R690 HydrophobicContact CG1-CG 3.49Å; V573-R690 VanDerWaalsContact CG1-CG 3.49Å; D574-R690 IonicContact OD1-CZ 3.58Å; D574-R690 IonicContact OD1-NE 3.87Å; D574-R690 PolarHBondContact OD1-NE 3.03Å; D574-R690 IonicContact OD1-NH2 2.76Å; D574-R690 PolarHBondContact OD1-NH2 3.05Å; D574-R690 IonicContact OD2-NE 3.48Å; D574-R690 PolarHBondContact OD2-NE 3.47Å; L686-R690 HydrophobicContact CD2-CG 4.23Å; L686-R690 WeakPolarHBondContact O-CB 3.32Å; L686-R690 WeakPolarHBondContact O-CG 3.43Å; L686-R690 PolarHBondContact O-N 3.11Å; L688-R690 VanDerWaalsContact C-N 3.25Å; L688-R690 PolarHBondContact O-N 2.89Å; R690-K694 WeakPolarHBondContact O-CD 3.32Å; R690-K694 WeakPolarHBondContact O-CE 3.41Å; R690-K694 WeakPolarHBondContact O-CG 3.29Å
691L89.9Confident86.2Confident69 Ų6952.9 Ų52.936%0.36125%0.249SC..Hα-helixtrans-82-47.3174.1-71.9-168.6000111.4P636 L669 L688 A689 I693 K694 Q695P636-L691 HydrophobicContact CB-CB 4.12Å; P636-L691 HydrophobicContact CG-CB 4.29Å; L669-L691 HydrophobicContact CD1-CD1 3.47Å; L669-L691 VanDerWaalsContact CD1-CD1 3.47Å; L669-L691 HydrophobicContact CD1-CG 3.93Å; L669-L691 HydrophobicContact CD2-CD1 4.09Å; L669-L691 HydrophobicContact CG-CD1 3.63Å; L688-L691 PolarHBondContact O-N 2.71Å; A689-L691 PolarHBondContact O-N 3.14Å; L691-I693 VanDerWaalsContact C-N 3.33Å; L691-I693 PolarHBondContact O-N 3.49Å; L691-K694 WeakPolarHBondContact O-CA 3.31Å; L691-K694 WeakPolarHBondContact O-CB 3.19Å; L691-K694 PolarHBondContact O-N 3.29Å; L691-Q695 PolarHBondContact O-N 2.84Å
692V90.3Very high85.1Confident6 Ų658.9 Ų58.94%0.03627%0.271CS..Hα-helixtrans-53.2-50.8-179.8-178.90000110.9Y528 I530 D603 P636 L688 A689 K694 Q695 D696Y528-V692 HydrophobicContact CD1-CG1 3.4Å; Y528-V692 VanDerWaalsContact CD1-CG1 3.4Å; Y528-V692 HydrophobicContact CE1-CG1 3.94Å; Y528-V692 HydrophobicContact CG-CG1 4.05Å; I530-V692 HydrophobicContact CD1-CG2 4.17Å; D603-V692 HydrophobicContact CB-CG1 3.61Å; D603-V692 WeakPolarHBondContact O-CG1 3.21Å; D603-V692 VanDerWaalsContact O-CG2 3.24Å; D603-V692 WeakPolarHBondContact O-CG2 3.08Å; P636-V692 HydrophobicContact CB-CG2 4.24Å; P636-V692 HydrophobicContact CG-CG2 4.2Å; L688-V692 HydrophobicContact CD1-CG2 4.25Å; L688-V692 HydrophobicContact CG-CG2 4.4Å; L688-V692 PolarHBondContact O-N 3.35Å; L688-V692 VanDerWaalsContact O-N 3.14Å; A689-V692 PolarHBondContact O-N 3.46Å; V692-K694 VanDerWaalsContact C-N 3.29Å; V692-K694 PolarHBondContact O-N 2.59Å; V692-Q695 PolarHBondContact O-N 2.68Å; V692-D696 VanDerWaalsContact O-CB 3.32Å; V692-D696 WeakPolarHBondContact O-CB 3.48Å; V692-D696 PolarHBondContact O-N 3.07Å
693I88.2Confident83.7Confident24 Ų2462 Ų6212%0.12328%0.279CS..Hα-helixtrans-61.1-35.5177.6-57.7154.6000111.9Y528 V573 V578 A689 L691 T697Y528-I693 HydrophobicContact CE2-CG1 3.92Å; V573-I693 HydrophobicContact CB-CD1 3.99Å; V573-I693 HydrophobicContact CG1-CD1 3.74Å; V573-I693 HydrophobicContact CG2-CD1 4.35Å; V578-I693 HydrophobicContact CB-CD1 4.48Å; V578-I693 HydrophobicContact CG1-CD1 4.17Å; V578-I693 HydrophobicContact CG2-CD1 3.78Å; A689-I693 VanDerWaalsContact O-CD1 3.23Å; A689-I693 WeakPolarHBondContact O-CD1 3.42Å; A689-I693 VanDerWaalsContact O-CG1 3.23Å; A689-I693 WeakPolarHBondContact O-CG1 3.32Å; A689-I693 PolarHBondContact O-N 2.85Å; L691-I693 VanDerWaalsContact C-N 3.33Å; L691-I693 PolarHBondContact O-N 3.49Å; I693-T697 HydrophobicContact CG2-CG2 4.21Å; I693-T697 VanDerWaalsContact O-CB 3.3Å; I693-T697 WeakPolarHBondContact O-CB 3.33Å; I693-T697 VanDerWaalsContact O-CG2 3.23Å; I693-T697 WeakPolarHBondContact O-CG2 3.48Å; I693-T697 PolarHBondContact O-N 3.12Å; I693-T697 PolarHBondContact O-OG1 3.34Å
694K86.9Confident82.3Confident118 Ų11864 Ų6451%0.51329%0.287SS..Hα-helixtrans-73.7-30.5-179.5-77.6174.3-169165.50113.1R690 L691 V692 F698R690-K694 WeakPolarHBondContact O-CD 3.32Å; R690-K694 WeakPolarHBondContact O-CE 3.41Å; R690-K694 WeakPolarHBondContact O-CG 3.29Å; L691-K694 WeakPolarHBondContact O-CA 3.31Å; L691-K694 WeakPolarHBondContact O-CB 3.19Å; L691-K694 PolarHBondContact O-N 3.29Å; V692-K694 VanDerWaalsContact C-N 3.29Å; V692-K694 PolarHBondContact O-N 2.59Å; K694-F698 WeakPolarHBondContact O-CB 3.49Å; K694-F698 PolarHBondContact O-N 3.3Å
695Q84.6Confident80.7Confident70 Ų7067.6 Ų67.633%0.32731%0.313SS..Hα-helixtrans-77.6-47.1176.2-175.2161.7-1700110.7D634 P636 L691 V692 F698 E699D634-Q695 PolarHBondContact O-NE2 2.92Å; D634-Q695 PolarHBondContact O-OE1 3.3Å; P636-Q695 VanDerWaalsContact CG-OE1 3.25Å; L691-Q695 PolarHBondContact O-N 2.84Å; V692-Q695 PolarHBondContact O-N 2.68Å; Q695-F698 WeakPolarHBondContact O-CA 3.31Å; Q695-F698 WeakPolarHBondContact O-CB 3.22Å; Q695-F698 PolarHBondContact O-N 2.88Å; Q695-E699 PolarHBondContact O-N 3.36Å
696D81.3Confident79Confident36 Ų3672.6 Ų72.619%0.19334%0.339CS..Hα-helixtrans-58.5-49.6175.7-178.949.5000112.3K526 Y528 V692 F698 E699 E700K526-D696 WeakPolarHBondContact CD-OD2 3.4Å; K526-D696 WeakPolarHBondContact CE-OD2 3.49Å; K526-D696 IonicContact NZ-OD1 2.79Å; K526-D696 PolarHBondContact NZ-OD1 2.96Å; K526-D696 IonicContact NZ-OD2 3.27Å; K526-D696 PolarHBondContact NZ-OD2 3.24Å; Y528-D696 HydrophobicContact CE1-CB 4.12Å; Y528-D696 PolarHBondContact OH-OD2 2.86Å; V692-D696 VanDerWaalsContact O-CB 3.32Å; V692-D696 WeakPolarHBondContact O-CB 3.48Å; V692-D696 PolarHBondContact O-N 3.07Å; D696-F698 PolarHBondContact O-N 3.34Å; D696-E699 PolarHBondContact O-N 3.16Å; D696-E700 PolarHBondContact O-N 3.22Å
697T78.7Confident77.2Confident46 Ų4676.2 Ų76.228%0.28236%0.362SS..Hα-helixtrans-69.8-2.7174.162.40000114.1I693 K701I693-T697 HydrophobicContact CG2-CG2 4.21Å; I693-T697 VanDerWaalsContact O-CB 3.3Å; I693-T697 WeakPolarHBondContact O-CB 3.33Å; I693-T697 VanDerWaalsContact O-CG2 3.23Å; I693-T697 WeakPolarHBondContact O-CG2 3.48Å; I693-T697 PolarHBondContact O-N 3.12Å; I693-T697 PolarHBondContact O-OG1 3.34Å; T697-K701 WeakPolarHBondContact O-CD 3.32Å; T697-K701 WeakPolarHBondContact O-CE 3.44Å; T697-K701 VanDerWaalsContact O-CG 3.28Å; T697-K701 WeakPolarHBondContact O-CG 3.43Å; T697-K701 PolarHBondContact O-NZ 3.12Å
698F76.8Confident75.2Confident118 Ų11876.5 Ų76.552%0.51837%0.374SS..Hα-helixtrans-95.9-39.1169.6-173.3-109000111.3K694 Q695 D696 K701 R702K694-F698 WeakPolarHBondContact O-CB 3.49Å; K694-F698 PolarHBondContact O-N 3.3Å; Q695-F698 WeakPolarHBondContact O-CA 3.31Å; Q695-F698 WeakPolarHBondContact O-CB 3.22Å; Q695-F698 PolarHBondContact O-N 2.88Å; D696-F698 PolarHBondContact O-N 3.34Å; F698-K701 PolarHBondContact O-N 2.93Å; F698-R702 PolarHBondContact O-N 3.12Å
699E72.3Confident73.3Confident56 Ų5682.5 Ų82.526%0.26241%0.405SS..Hα-helixtrans-59.4-50.2169.5-75.1-52.8116.700111.8Q695 D696 K701 R702 Y703Q695-E699 PolarHBondContact O-N 3.36Å; D696-E699 PolarHBondContact O-N 3.16Å; E699-K701 PolarHBondContact O-N 2.87Å; E699-K701 VanDerWaalsContact O-N 3.12Å; E699-R702 WeakPolarHBondContact O-CA 3.43Å; E699-R702 VanDerWaalsContact O-CB 3.31Å; E699-R702 WeakPolarHBondContact O-CB 3.25Å; E699-R702 PolarHBondContact O-N 3.41Å; E699-R702 VanDerWaalsContact OE1-CD 3.22Å; E699-R702 WeakPolarHBondContact OE1-CD 3.29Å; E699-R702 IonicContact OE1-CZ 3.15Å; E699-R702 IonicContact OE1-NE 2.68Å; E699-R702 IonicContact OE1-NH1 3.4Å; E699-R702 PolarHBondContact OE1-NH1 3.47Å; E699-Y703 HydrophobicContact CB-CE2 4.36Å; E699-Y703 WeakPolarHBondContact O-CD2 3.23Å; E699-Y703 PolarHBondContact O-N 3.02Å
700E71Confident71Confident82 Ų8289.4 Ų89.438%0.38344%0.442SS..Hα-helixtrans-54.8-37.7177.5-70.9-176.916700112.3K526 D696 Y703 Q704K526-E700 IonicContact NZ-OE1 3.1Å; K526-E700 PolarHBondContact NZ-OE1 3.29Å; D696-E700 PolarHBondContact O-N 3.22Å; E700-Y703 PolarHBondContact O-N 2.92Å; E700-Q704 WeakPolarHBondContact O-CB 3.37Å; E700-Q704 VanDerWaalsContact O-CG 3.28Å; E700-Q704 WeakPolarHBondContact O-CG 3.47Å; E700-Q704 PolarHBondContact O-N 3.16Å
701K70.4Confident68.7Low120 Ų12089.1 Ų89.152%0.52245%0.454SS..Hα-helixtrans-71.8-30.2176.2-66.9-179.6-173.792.80112.8T697 F698 E699 S705T697-K701 WeakPolarHBondContact O-CD 3.32Å; T697-K701 WeakPolarHBondContact O-CE 3.44Å; T697-K701 VanDerWaalsContact O-CG 3.28Å; T697-K701 WeakPolarHBondContact O-CG 3.43Å; T697-K701 PolarHBondContact O-NZ 3.12Å; F698-K701 PolarHBondContact O-N 2.93Å; E699-K701 PolarHBondContact O-N 2.87Å; E699-K701 VanDerWaalsContact O-N 3.12Å; K701-S705 VanDerWaalsContact O-CB 3.31Å; K701-S705 WeakPolarHBondContact O-CB 3.42Å; K701-S705 PolarHBondContact O-N 3.04Å; K701-S705 PolarHBondContact O-OG 3.21Å
702R68.1Low66.4Low131 Ų13191.7 Ų91.749%0.49448%0.475SS..Hα-helixtrans-66.1-50.3170.2-73.1168.7159.5-172.5-7.1110.8F698 E699 Q704 S705 L706F698-R702 PolarHBondContact O-N 3.12Å; E699-R702 WeakPolarHBondContact O-CA 3.43Å; E699-R702 VanDerWaalsContact O-CB 3.31Å; E699-R702 WeakPolarHBondContact O-CB 3.25Å; E699-R702 PolarHBondContact O-N 3.41Å; E699-R702 VanDerWaalsContact OE1-CD 3.22Å; E699-R702 WeakPolarHBondContact OE1-CD 3.29Å; E699-R702 IonicContact OE1-CZ 3.15Å; E699-R702 IonicContact OE1-NE 2.68Å; E699-R702 IonicContact OE1-NH1 3.4Å; E699-R702 PolarHBondContact OE1-NH1 3.47Å; R702-Q704 PolarHBondContact O-N 2.94Å; R702-S705 WeakPolarHBondContact O-CB 3.39Å; R702-S705 PolarHBondContact O-N 3.07Å; R702-S705 VanDerWaalsContact O-N 3.1Å; R702-L706 WeakPolarHBondContact O-CG 3.5Å; R702-L706 PolarHBondContact O-N 3.03Å
703Y62.6Low64Low153 Ų153100.3 Ų100.360%0.651%0.512SS*.Hα-helixtrans-63-39.5179.5-72.5-74000113E699 E700 L706 T707E699-Y703 HydrophobicContact CB-CE2 4.36Å; E699-Y703 WeakPolarHBondContact O-CD2 3.23Å; E699-Y703 PolarHBondContact O-N 3.02Å; E700-Y703 PolarHBondContact O-N 2.92Å; Y703-L706 PolarHBondContact O-N 3.37Å; Y703-T707 PolarHBondContact O-N 3.35Å; Y703-T707 PolarHBondContact O-OG1 2.86Å
704Q60.8Low61.8Low130 Ų130107 Ų10761%0.60755%0.548SS*.Hα-helixtrans-64.6-37.1171.8-71.8175.111.700112.7E700 R702 T707 S708E700-Q704 WeakPolarHBondContact O-CB 3.37Å; E700-Q704 VanDerWaalsContact O-CG 3.28Å; E700-Q704 WeakPolarHBondContact O-CG 3.47Å; E700-Q704 PolarHBondContact O-N 3.16Å; R702-Q704 PolarHBondContact O-N 2.94Å; Q704-T707 WeakPolarHBondContact CA-OG1 3.46Å; Q704-T707 PolarHBondContact O-OG1 2.73Å; Q704-T707 VanDerWaalsContact O-OG1 3.12Å; Q704-S708 WeakPolarHBondContact O-CB 3.49Å; Q704-S708 PolarHBondContact O-N 3.22Å; Q704-S708 VanDerWaalsContact O-N 3.13Å
705S60.2Low59.5Low77 Ų77110.4 Ų110.454%0.53856%0.563SS.*Hα-helixtrans-69.3-34.9176.8-61.30000112.8K701 R702K701-S705 VanDerWaalsContact O-CB 3.31Å; K701-S705 WeakPolarHBondContact O-CB 3.42Å; K701-S705 PolarHBondContact O-N 3.04Å; K701-S705 PolarHBondContact O-OG 3.21Å; R702-S705 WeakPolarHBondContact O-CB 3.39Å; R702-S705 PolarHBondContact O-N 3.07Å; R702-S705 VanDerWaalsContact O-N 3.1Å
706L56.5Low57.5Low106 Ų106112.5 Ų112.556%0.55558%0.583SS**Hα-helixtrans-72.5-44.2177.3-70.6169.6000112.1R702 Y703 S708 L709R702-L706 WeakPolarHBondContact O-CG 3.5Å; R702-L706 PolarHBondContact O-N 3.03Å; Y703-L706 PolarHBondContact O-N 3.37Å; L706-S708 VanDerWaalsContact C-N 3.3Å; L706-S708 PolarHBondContact O-N 2.91Å; L706-L709 PolarHBondContact O-N 3.21Å
707T54.2Low55.3Low100 Ų100120.7 Ų120.761%0.61362%0.617SS**Hα-helixtrans-64.4-33.3176.145.60000112.5Y703 Q704 L709 N710Y703-T707 PolarHBondContact O-N 3.35Å; Y703-T707 PolarHBondContact O-OG1 2.86Å; Q704-T707 WeakPolarHBondContact CA-OG1 3.46Å; Q704-T707 PolarHBondContact O-OG1 2.73Å; Q704-T707 VanDerWaalsContact O-OG1 3.12Å; T707-L709 PolarHBondContact O-N 3.04Å; T707-L709 VanDerWaalsContact O-N 3.15Å; T707-N710 PolarHBondContact O-N 3.44Å
708S51.9Low53.4Low90 Ų90126.4 Ų126.463%0.62965%0.645SS**G310 helixtrans-57.7-24.8174.6-171.50000114.5Q704 L706Q704-S708 WeakPolarHBondContact O-CB 3.49Å; Q704-S708 PolarHBondContact O-N 3.22Å; Q704-S708 VanDerWaalsContact O-N 3.13Å; L706-S708 VanDerWaalsContact C-N 3.3Å; L706-S708 PolarHBondContact O-N 2.91Å
709L52.3Low51.8Low128 Ų128126.4 Ų126.467%0.6766%0.659SS**G310 helixtrans-78.4-18-177.3-73.5166.9000114.4L706 T707L706-L709 PolarHBondContact O-N 3.21Å; T707-L709 PolarHBondContact O-N 3.04Å; T707-L709 VanDerWaalsContact O-N 3.15Å
710N43.7Very low49.8Very low147 Ų147129.4 Ų129.479%0.78669%0.685SS**G310 helixtrans-93.81.7-175.8-72.8-19.5000114.3T707T707-N710 PolarHBondContact O-N 3.44Å
711A41.5Very low48.2Very low64 Ų64130.9 Ų130.953%0.52970%0.704SS.*SBendtrans-67.9133.4176.500000112.2K713A711-K713 PolarHBondContact O-N 3.39Å
712P42.7Very low46.6Very low123 Ų123135.6 Ų135.680%0.79974%0.742SS**  trans-67.8118.2-17726-33.8000111.8N714P712-N714 PolarHBondContact O-N 3.33Å
713K39.8Very low45.5Very low188 Ų188135.8 Ų135.882%0.81776%0.755SS**  trans-68.495.3-175.4-68.9175.5-178.7169.90112.3A711 K715A711-K713 PolarHBondContact O-N 3.39Å; K713-K715 PolarHBondContact O-N 3.27Å
714N41.8Very low44.6Very low164 Ų164134.9 Ų134.988%0.87776%0.763SS**PPolyproline II helixtrans-57121.6168.2-94-41.3000110.7P712P712-N714 PolarHBondContact O-N 3.33Å
715K38Very low43.7Very low189 Ų189135.2 Ų135.282%0.82277%0.772SS**PPolyproline II helixtrans-77.9128.1-176.6-64.1176.3-177.9174.20110.6K713 K717K713-K715 PolarHBondContact O-N 3.27Å; K715-K717 PolarHBondContact O-N 3.2Å
716P43Very low42.8Very low115 Ų115138.6 Ų138.675%0.74779%0.785SS**PPolyproline II helixtrans-68.4131.9170.728.9-33.3000110
717K35Very low41.9Very low208 Ų208140.6 Ų140.690%0.90480%0.8SS**  trans-83.7115.4169.6-69.1-179.8-179.9175.80108.7K715K715-K717 PolarHBondContact O-N 3.2Å
718L39.6Very low41.1Very low165 Ų165143.3 Ų143.386%0.86481%0.812SS**  trans-71.2128.9163-77.382.7000108.8
719S41.7Very low40.3Very low118 Ų118147.1 Ų147.183%0.82583%0.825SS**  trans-84.6147.1157.749.50000109.2
720C31.5Very low39.4Very low119 Ų119148.6 Ų148.680%0.80484%0.837SS**  trans-124.1144.8174.5-164.40000108.9
721C36.7Very low39.1Very low114 Ų114148.8 Ų148.877%0.7784%0.841SS**  trans-143144.2175.1-79.60000108.6
722T37.2Very low38.8Very low218 Ų218156.5 Ų156.5100%1.33787%0.87SS**  trans56.80-170.9600000115.2

Retrieved 722 of 722 residues in 421.4 ms (Link to these results)

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