A0A3Q0KIK2_SCHMA Loading...

Putative ku P80 DNA helicase

AlphaFold DB (G4V6U2), UniProt , Accession A0A3Q0KIK2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 833 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M61.7Low89.1Confident136 Ų13614.3 Ų14.367%0.677%0.073SC*.  0164.40-71.9-177.6-17300106.1K117 S222M1-K117 HydrophobicContact CB-CB 3.81Å; M1-K117 HydrophobicContact CG-CB 4.45Å; M1-K117 HydrophobicContact SD-CB 3.74Å; M1-K117 HydrophobicContact SD-CD 3.95Å; M1-K117 HydrophobicContact SD-CG 3.88Å; M1-S222 PolarHBondContact N-O 3.34Å
2A80.1Confident89.3Confident3 Ų313.1 Ų13.13%0.0257%0.066CC..EExtended strand (participates in β ladder)trans-96.4150.418000000110.6K39 N115 I116 K117A2-K39 HydrophobicContact CB-CB 4.47Å; A2-K39 WeakPolarHBondContact CB-O 3.45Å; A2-N115 PolarHBondContact N-O 3.15Å; A2-I116 HydrophobicContact CB-CG1 4.49Å; A2-I116 WeakPolarHBondContact O-CA 3.38Å; A2-K117 PolarHBondContact O-N 3.12Å
3T85.8Confident89.5Confident8 Ų818.2 Ų18.25%0.0499%0.093CC..EExtended strand (participates in β ladder)trans-95.4138.8160.4-47.80000108.4D40 E41 E118 H120 T220T3-D40 VanDerWaalsContact CB-OD1 3.27Å; T3-D40 WeakPolarHBondContact CB-OD1 3.14Å; T3-D40 PolarHBondContact N-OD1 3.49Å; T3-D40 WeakPolarHBondContact O-CA 3.26Å; T3-D40 WeakPolarHBondContact O-CB 3.47Å; T3-D40 PolarHBondContact OG1-OD1 2.75Å; T3-E41 PolarHBondContact O-N 2.9Å; T3-E118 WeakPolarHBondContact CA-O 3.43Å; T3-E118 HydrophobicContact CG2-CB 4.26Å; T3-E118 HydrophobicContact CG2-CG 4.37Å; T3-H120 HydrophobicContact CG2-CB 4.47Å; T3-T220 PolarHBondContact OG1-OG1 2.81Å
4A91.8Very high89.5Confident0 Ų019.1 Ų19.10%010%0.097CC..EExtended strand (participates in β ladder)trans-95.3114.1167.500000109L72 L106 I116 E118 K119 H120A4-L72 HydrophobicContact CB-CD1 4.1Å; A4-L72 HydrophobicContact CB-CD2 4.04Å; A4-L106 HydrophobicContact CB-CD2 4.06Å; A4-I116 HydrophobicContact CB-CD1 4.07Å; A4-I116 HydrophobicContact CB-CG2 3.76Å; A4-E118 PolarHBondContact N-O 2.7Å; A4-K119 WeakPolarHBondContact O-CA 3.49Å; A4-H120 PolarHBondContact O-N 3.05Å
5L91.5Very high89.6Confident8 Ų817.9 Ų17.94%0.0429%0.09CC..EExtended strand (participates in β ladder)trans-108.8116.1-178.3178.265.1000109.7V7 L29 L30 K33 E41 V42 A43 H120 L122L5-V7 HydrophobicContact CD2-CG2 4Å; L5-V7 HydrophobicContact CG-CG2 3.91Å; L5-L29 HydrophobicContact CD2-CD2 4.21Å; L5-L30 HydrophobicContact CD2-CD2 4.35Å; L5-K33 HydrophobicContact CD2-CD 4.48Å; L5-E41 PolarHBondContact N-O 3.43Å; L5-V42 HydrophobicContact CB-CG2 4.27Å; L5-V42 HydrophobicContact CD2-CG2 4.32Å; L5-V42 CarbonylContact O-C 3.56Å; L5-V42 VanDerWaalsContact O-CA 3.28Å; L5-V42 WeakPolarHBondContact O-CA 3.31Å; L5-A43 PolarHBondContact O-N 2.91Å; L5-H120 CarbonylContact C-O 3.59Å; L5-H120 WeakPolarHBondContact CA-O 3.46Å; L5-H120 HydrophobicContact CD1-CB 4.1Å; L5-L122 HydrophobicContact CD1-CB 4.17Å
6G94.1Very high89.6Confident0 Ų023.3 Ų23.30%012%0.12CC..EExtended strand (participates in β ladder)trans-94.2121166.100000109.1H120 L121 L122G6-H120 PolarHBondContact N-O 3.02Å; G6-L121 WeakPolarHBondContact O-CA 3.19Å; G6-L122 PolarHBondContact O-N 3.45Å
7V94.5Very high89.5Confident0 Ų026.7 Ų26.70%014%0.143CC..EExtended strand (participates in β ladder)trans-104.6116.4174.4-177.10000108.1L5 V26 V42 A43 L44 I45 V124L5-V7 HydrophobicContact CD2-CG2 4Å; L5-V7 HydrophobicContact CG-CG2 3.91Å; V7-V26 HydrophobicContact CG1-CG1 4.02Å; V7-V26 HydrophobicContact CG1-CG2 4.02Å; V7-V42 HydrophobicContact CG2-CG1 4.32Å; V7-A43 PolarHBondContact N-O 3.35Å; V7-L44 HydrophobicContact CB-CD1 4Å; V7-L44 HydrophobicContact CG1-CD1 3.99Å; V7-I45 PolarHBondContact O-N 2.74Å; V7-V124 HydrophobicContact CG1-CG2 4.45Å
8V95.3Very high89.4Confident0 Ų027.7 Ų27.70%015%0.149CC..EExtended strand (participates in β ladder)trans-95.9105.7169.8-177.30000107.5I45 C47 A98 L99 L121 L122 L123 V124V8-I45 CarbonylContact C-O 3.56Å; V8-I45 WeakPolarHBondContact CA-O 3.44Å; V8-I45 HydrophobicContact CG2-CB 4.21Å; V8-I45 HydrophobicContact CG2-CD1 4.48Å; V8-C47 HydrophobicContact CG1-CB 4.17Å; V8-A98 HydrophobicContact CG1-CB 3.64Å; V8-L99 HydrophobicContact CG2-CD2 4.44Å; V8-L121 HydrophobicContact CG2-CD1 3.93Å; V8-L122 PolarHBondContact N-O 3.02Å; V8-L123 HydrophobicContact CB-CD1 3.93Å; V8-L123 HydrophobicContact CG1-CD1 3.68Å; V8-V124 PolarHBondContact O-N 3.26Å
9L95.4Very high89.4Confident0 Ų026.6 Ų26.60%014%0.142CC..EExtended strand (participates in β ladder)trans-100.3117.3177.417861.2000109.4V11 A22 V23 V26 L44 I45 L46 C47 L83 V124L9-V11 HydrophobicContact CD2-CG1 4.29Å; L9-V11 HydrophobicContact CG-CG1 4.1Å; L9-V11 PolarHBondContact O-N 3.17Å; L9-A22 HydrophobicContact CD1-CB 4.26Å; L9-V23 HydrophobicContact CD2-CG2 4.45Å; L9-V26 HydrophobicContact CD1-CG2 4.25Å; L9-L44 HydrophobicContact CB-CD1 4.23Å; L9-I45 PolarHBondContact N-O 3.42Å; L9-L46 HydrophobicContact CB-CD2 4.29Å; L9-L46 HydrophobicContact CD2-CD2 4.39Å; L9-L46 WeakPolarHBondContact O-CA 3.36Å; L9-C47 PolarHBondContact O-N 2.7Å; L9-L83 HydrophobicContact CD2-CD2 4.22Å; L9-V124 HydrophobicContact CD1-CB 4.13Å; L9-V124 HydrophobicContact CD1-CG1 4.08Å
10D94.8Very high89.3Confident0 Ų033.8 Ų33.80%017%0.168CC..EExtended strand (participates in β ladder)trans-76.1116.7173-169.2-15000109.9G12 H14 M15 F19 V124 S125D10-G12 PolarHBondContact OD1-N 3.3Å; D10-H14 VanDerWaalsContact CG-NE2 3.27Å; D10-H14 IonicContact OD1-CE1 3.19Å; D10-H14 PolarHBondContact OD1-CE1 3.36Å; D10-H14 IonicContact OD1-NE2 3.16Å; D10-H14 PolarHBondContact OD1-NE2 3.11Å; D10-H14 VanDerWaalsContact OD1-NE2 3.16Å; D10-H14 IonicContact OD2-CD2 3.76Å; D10-H14 IonicContact OD2-CE1 3.54Å; D10-H14 IonicContact OD2-NE2 2.72Å; D10-H14 PolarHBondContact OD2-NE2 3.43Å; D10-M15 HydrophobicContact CB-CE 4.41Å; D10-M15 HydrophobicContact CB-CG 3.83Å; D10-M15 HydrophobicContact CB-SD 4.07Å; D10-M15 VanDerWaalsContact CG-CG 3.48Å; D10-M15 WeakPolarHBondContact O-CG 3.47Å; D10-F19 WeakPolarHBondContact O-CE2 3.27Å; D10-V124 VanDerWaalsContact CB-O 3.32Å; D10-V124 WeakPolarHBondContact CB-O 3.46Å; D10-V124 PolarHBondContact N-O 2.79Å; D10-S125 WeakPolarHBondContact OD2-CB 3.49Å; D10-S125 PolarHBondContact OD2-OG 3.07Å
11V94.8Very high89Confident2 Ų236.6 Ų36.61%0.01218%0.18CC..  trans-110.47.6-179.9-58.60000111.8L9 F19 L46 C47 S89L9-V11 HydrophobicContact CD2-CG1 4.29Å; L9-V11 HydrophobicContact CG-CG1 4.1Å; L9-V11 PolarHBondContact O-N 3.17Å; V11-F19 HydrophobicContact CB-CE2 4.08Å; V11-F19 HydrophobicContact CB-CZ 4.31Å; V11-F19 HydrophobicContact CG1-CE2 3.81Å; V11-F19 HydrophobicContact CG1-CZ 3.93Å; V11-L46 HydrophobicContact CG1-CB 4.47Å; V11-L46 HydrophobicContact CG1-CD2 4.03Å; V11-L46 HydrophobicContact CG2-CB 4.2Å; V11-C47 VanDerWaalsContact CG2-O 3.3Å; V11-C47 WeakPolarHBondContact CG2-O 3.5Å; V11-C47 PolarHBondContact N-O 3.37Å; V11-S89 WeakPolarHBondContact O-CB 3.46Å; V11-S89 PolarHBondContact O-N 3.49Å
12G92.4Very high90.3Very high0 Ų030.1 Ų30.10%015%0.148CC..SBendtrans-69.7161.5-177.300000113.6D10 H14 M15 L88 S91D10-G12 PolarHBondContact OD1-N 3.3Å; G12-H14 PolarHBondContact O-N 3.31Å; G12-M15 VanDerWaalsContact O-CB 3.26Å; G12-M15 WeakPolarHBondContact O-CB 3.17Å; G12-M15 PolarHBondContact O-N 3.04Å; G12-L88 WeakPolarHBondContact O-CD1 3.46Å; G12-S91 WeakPolarHBondContact CA-O 3.23Å
13I91.4Very high90.7Very high80 Ų8030 Ų3041%0.4115%0.147SC..G310 helixtrans-58.1-27-174.5-166168.6000114.2M15 N16 S89 L90 S91 T92I13-M15 PolarHBondContact O-N 3.35Å; I13-N16 WeakPolarHBondContact O-CB 3.48Å; I13-N16 PolarHBondContact O-N 3.48Å; I13-S89 WeakPolarHBondContact CA-O 3.49Å; I13-S89 PolarHBondContact N-O 3.22Å; I13-L90 HydrophobicContact CD1-CD2 3.77Å; I13-L90 HydrophobicContact CG1-CD2 4.49Å; I13-S91 PolarHBondContact N-O 3.43Å; I13-T92 HydrophobicContact CG2-CG2 4.02Å
14H89Confident90.6Very high31 Ų3131.8 Ų31.814%0.14416%0.155CC..G310 helixtrans-68.2-16.6176.358.5-76.6000113.1D10 G12 N126 G129D10-H14 VanDerWaalsContact CG-NE2 3.27Å; D10-H14 IonicContact OD1-CE1 3.19Å; D10-H14 PolarHBondContact OD1-CE1 3.36Å; D10-H14 IonicContact OD1-NE2 3.16Å; D10-H14 PolarHBondContact OD1-NE2 3.11Å; D10-H14 VanDerWaalsContact OD1-NE2 3.16Å; D10-H14 IonicContact OD2-CD2 3.76Å; D10-H14 IonicContact OD2-CE1 3.54Å; D10-H14 IonicContact OD2-NE2 2.72Å; D10-H14 PolarHBondContact OD2-NE2 3.43Å; G12-H14 PolarHBondContact O-N 3.31Å; H14-N126 PolarHBondContact CD2-OD1 3.24Å; H14-N126 PolarHBondContact O-ND2 3.4Å; H14-G129 PolarHBondContact CD2-N 3.03Å
15M91.2Very high90.3Very high0 Ų031.9 Ų31.90%016%0.155CC..G310 helixtrans-78.9-14.5175-72-71.1-6500113.9D10 G12 I13 P17 N18 F19 A22 L88 N126 F208D10-M15 HydrophobicContact CB-CE 4.41Å; D10-M15 HydrophobicContact CB-CG 3.83Å; D10-M15 HydrophobicContact CB-SD 4.07Å; D10-M15 VanDerWaalsContact CG-CG 3.48Å; D10-M15 WeakPolarHBondContact O-CG 3.47Å; G12-M15 VanDerWaalsContact O-CB 3.26Å; G12-M15 WeakPolarHBondContact O-CB 3.17Å; G12-M15 PolarHBondContact O-N 3.04Å; I13-M15 PolarHBondContact O-N 3.35Å; M15-P17 VanDerWaalsContact C-N 3.34Å; M15-P17 WeakPolarHBondContact O-CD 3.3Å; M15-N18 CarbonylContact O-C 3.59Å; M15-N18 PolarHBondContact O-N 3.3Å; M15-F19 HydrophobicContact CB-CB 4.27Å; M15-F19 HydrophobicContact CB-CD2 4.01Å; M15-F19 WeakPolarHBondContact O-CA 3.45Å; M15-F19 WeakPolarHBondContact O-CB 3.34Å; M15-F19 PolarHBondContact O-N 3.22Å; M15-A22 HydrophobicContact CE-CB 3.68Å; M15-L88 HydrophobicContact CB-CD1 4.23Å; M15-N126 HydrophobicContact SD-CB 3.78Å; M15-N126 PolarHBondContact SD-N 3.14Å; M15-N126 PolarHBondContact SD-OD1 2.95Å; M15-F208 HydrophobicContact CE-CZ 3.9Å
16N90Very high90.1Very high105 Ų10531.5 Ų31.556%0.56115%0.154SC*.G310 helixtrans-39.9-48.8-177.1-167-11.1000115.5I13 N18 L88I13-N16 WeakPolarHBondContact O-CB 3.48Å; I13-N16 PolarHBondContact O-N 3.48Å; N16-N18 PolarHBondContact O-N 2.88Å; N16-L88 HydrophobicContact CB-CD2 3.87Å
17P88.1Confident89.8Confident81 Ų8133.1 Ų33.153%0.52616%0.16SC..G310 helixtrans-67.1-18-179.627.9-36.7000115M15M15-P17 VanDerWaalsContact C-N 3.34Å; M15-P17 WeakPolarHBondContact O-CD 3.3Å
18N87.3Confident89.3Confident45 Ų4534.8 Ų34.824%0.24117%0.168CC..G310 helixtrans-127.53.8-174.8-53.2116.3000113.5M15 N16 R20 E21 A22 N126 F208M15-N18 CarbonylContact O-C 3.59Å; M15-N18 PolarHBondContact O-N 3.3Å; N16-N18 PolarHBondContact O-N 2.88Å; N18-R20 PolarHBondContact O-N 3.04Å; N18-E21 WeakPolarHBondContact CA-OE2 3.34Å; N18-E21 PolarHBondContact O-N 3.27Å; N18-A22 WeakPolarHBondContact O-CB 3.18Å; N18-A22 PolarHBondContact O-N 3.2Å; N18-N126 PolarHBondContact OD1-ND2 2.89Å; N18-F208 HydrophobicContact CB-CD2 3.84Å; N18-F208 HydrophobicContact CB-CE2 3.53Å; N18-F208 HydrophobicContact CB-CZ 4.23Å
19F90Very high88.8Confident6 Ų635.1 Ų35.13%0.02617%0.17CC..Hα-helixtrans-69.5-36.6-168-172.9-112.5000111.8D10 V11 M15 A22 V23 P85 L87 L88D10-F19 WeakPolarHBondContact O-CE2 3.27Å; V11-F19 HydrophobicContact CB-CE2 4.08Å; V11-F19 HydrophobicContact CB-CZ 4.31Å; V11-F19 HydrophobicContact CG1-CE2 3.81Å; V11-F19 HydrophobicContact CG1-CZ 3.93Å; M15-F19 HydrophobicContact CB-CB 4.27Å; M15-F19 HydrophobicContact CB-CD2 4.01Å; M15-F19 WeakPolarHBondContact O-CA 3.45Å; M15-F19 WeakPolarHBondContact O-CB 3.34Å; M15-F19 PolarHBondContact O-N 3.22Å; F19-A22 WeakPolarHBondContact O-CB 3.46Å; F19-A22 PolarHBondContact O-N 3.26Å; F19-V23 HydrophobicContact CD1-CG2 4.09Å; F19-V23 HydrophobicContact CD2-CG2 4.42Å; F19-V23 HydrophobicContact CE1-CG2 3.63Å; F19-V23 HydrophobicContact CE2-CG2 3.97Å; F19-V23 HydrophobicContact CG-CG2 4.47Å; F19-V23 HydrophobicContact CZ-CG2 3.57Å; F19-V23 WeakPolarHBondContact O-CG2 3.09Å; F19-V23 PolarHBondContact O-N 2.86Å; F19-P85 WeakPolarHBondContact CD1-O 3.29Å; F19-P85 WeakPolarHBondContact CE1-O 3.38Å; F19-L87 HydrophobicContact CE1-CB 3.95Å; F19-L87 HydrophobicContact CZ-CB 3.68Å; F19-L88 HydrophobicContact CB-CD1 3.98Å; F19-L88 HydrophobicContact CD1-CB 3.74Å; F19-L88 HydrophobicContact CD1-CD1 4.04Å; F19-L88 HydrophobicContact CD1-CG 4.42Å; F19-L88 HydrophobicContact CD2-CD1 3.93Å; F19-L88 HydrophobicContact CE1-CB 3.81Å; F19-L88 VanDerWaalsContact CE1-N 3.3Å; F19-L88 HydrophobicContact CE2-CD1 4.46Å; F19-L88 HydrophobicContact CG-CB 4.31Å; F19-L88 HydrophobicContact CG-CD1 3.7Å; F19-L88 HydrophobicContact CZ-CB 4.43Å
20R87Confident88.4Confident171 Ų17135.1 Ų35.165%0.64517%0.17SC*.Hα-helixtrans-60.7-50.9175.5-176.7-180-71.8-176.7-2.6109.9N18 A22 V23 E24N18-R20 PolarHBondContact O-N 3.04Å; R20-A22 VanDerWaalsContact C-N 3.29Å; R20-A22 PolarHBondContact O-N 3.37Å; R20-V23 PolarHBondContact O-N 3.08Å; R20-E24 HydrophobicContact CG-CG 4.39Å; R20-E24 WeakPolarHBondContact O-CB 3.41Å; R20-E24 WeakPolarHBondContact O-CG 3.4Å; R20-E24 PolarHBondContact O-N 2.64Å
21E83.4Confident88Confident92 Ų9235.4 Ų35.443%0.4317%0.171SC..Hα-helixtrans-59.7-41.1177.5-61.886.8169.800111.5N18 E24 C25 F208N18-E21 WeakPolarHBondContact CA-OE2 3.34Å; N18-E21 PolarHBondContact O-N 3.27Å; E21-E24 PolarHBondContact O-N 3.11Å; E21-C25 WeakPolarHBondContact O-CB 3.5Å; E21-C25 PolarHBondContact O-N 3.25Å; E21-C25 PolarHBondContact O-SG 3.44Å; E21-F208 HydrophobicContact CB-CB 4.12Å; E21-F208 HydrophobicContact CB-CG 4.38Å
22A88.3Confident87.4Confident0 Ų037.2 Ų37.20%018%0.179CC..Hα-helixtrans-59.9-48.817700000112.8L9 M15 N18 F19 R20 E24 C25 V26 V124 F208L9-A22 HydrophobicContact CD1-CB 4.26Å; M15-A22 HydrophobicContact CE-CB 3.68Å; N18-A22 WeakPolarHBondContact O-CB 3.18Å; N18-A22 PolarHBondContact O-N 3.2Å; F19-A22 WeakPolarHBondContact O-CB 3.46Å; F19-A22 PolarHBondContact O-N 3.26Å; R20-A22 VanDerWaalsContact C-N 3.29Å; R20-A22 PolarHBondContact O-N 3.37Å; A22-E24 VanDerWaalsContact C-N 3.35Å; A22-C25 WeakPolarHBondContact O-CB 3.36Å; A22-C25 PolarHBondContact O-N 3.48Å; A22-V26 WeakPolarHBondContact O-CG2 3.28Å; A22-V26 PolarHBondContact O-N 3.29Å; A22-V26 VanDerWaalsContact O-N 3.13Å; A22-V124 HydrophobicContact CB-CG1 3.77Å; A22-F208 HydrophobicContact CB-CD1 4.29Å; A22-F208 HydrophobicContact CB-CE1 3.61Å; A22-F208 HydrophobicContact CB-CZ 4.15Å
23V89.6Confident87.1Confident0 Ų037.9 Ų37.90%018%0.182CC..Hα-helixtrans-63.6-42.3177.4172.30000110.6L9 F19 R20 V26 R27 L83L9-V23 HydrophobicContact CD2-CG2 4.45Å; F19-V23 HydrophobicContact CD1-CG2 4.09Å; F19-V23 HydrophobicContact CD2-CG2 4.42Å; F19-V23 HydrophobicContact CE1-CG2 3.63Å; F19-V23 HydrophobicContact CE2-CG2 3.97Å; F19-V23 HydrophobicContact CG-CG2 4.47Å; F19-V23 HydrophobicContact CZ-CG2 3.57Å; F19-V23 WeakPolarHBondContact O-CG2 3.09Å; F19-V23 PolarHBondContact O-N 2.86Å; R20-V23 PolarHBondContact O-N 3.08Å; V23-V26 PolarHBondContact O-N 3.29Å; V23-R27 WeakPolarHBondContact O-CB 3.19Å; V23-R27 PolarHBondContact O-N 3.16Å; V23-L83 HydrophobicContact CG1-CB 4.24Å
24E83.5Confident87Confident47 Ų4736.1 Ų36.122%0.2217%0.172CC..Hα-helixtrans-60.3-45.7176.1-71.6-61148.400112.3R20 E21 A22 V26 R27 L28R20-E24 HydrophobicContact CG-CG 4.39Å; R20-E24 WeakPolarHBondContact O-CB 3.41Å; R20-E24 WeakPolarHBondContact O-CG 3.4Å; R20-E24 PolarHBondContact O-N 2.64Å; E21-E24 PolarHBondContact O-N 3.11Å; A22-E24 VanDerWaalsContact C-N 3.35Å; E24-V26 PolarHBondContact O-N 2.72Å; E24-R27 PolarHBondContact O-N 3.19Å; E24-R27 IonicContact OE1-CZ 3.42Å; E24-R27 IonicContact OE1-NE 2.82Å; E24-R27 IonicContact OE1-NH1 3.74Å; E24-R27 PolarHBondContact OE1-NH1 3.5Å; E24-R27 IonicContact OE1-NH2 2.7Å; E24-R27 PolarHBondContact OE1-NH2 3.2Å; E24-R27 IonicContact OE2-CZ 3.9Å; E24-R27 IonicContact OE2-NE 2.83Å; E24-R27 PolarHBondContact OE2-NE 3.39Å; E24-R27 IonicContact OE2-NH1 2.68Å; E24-R27 IonicContact OE2-NH2 2.65Å; E24-R27 PolarHBondContact OE2-NH2 3.02Å; E24-L28 WeakPolarHBondContact O-CB 3.21Å; E24-L28 WeakPolarHBondContact O-CG 3.12Å; E24-L28 PolarHBondContact O-N 3.36Å
25C84.1Confident86.9Confident1 Ų135.5 Ų35.51%0.00717%0.169CC..Hα-helixtrans-55.9-51.5175.2-73.20000111.8E21 A22 R27 L28 L29 V212E21-C25 WeakPolarHBondContact O-CB 3.5Å; E21-C25 PolarHBondContact O-N 3.25Å; E21-C25 PolarHBondContact O-SG 3.44Å; A22-C25 WeakPolarHBondContact O-CB 3.36Å; A22-C25 PolarHBondContact O-N 3.48Å; C25-R27 VanDerWaalsContact C-N 3.34Å; C25-L28 PolarHBondContact O-N 2.9Å; C25-L29 WeakPolarHBondContact O-CB 3.31Å; C25-L29 PolarHBondContact O-N 3.22Å; C25-V212 WeakPolarHBondContact SG-CG2 3.47Å
26V88.8Confident86.5Confident1 Ų138.5 Ų38.51%0.00619%0.193CC..Hα-helixtrans-64.1-42.8-179.8175.40000110.6V7 L9 A22 V23 E24 L29 L30 L83 V124V7-V26 HydrophobicContact CG1-CG1 4.02Å; V7-V26 HydrophobicContact CG1-CG2 4.02Å; L9-V26 HydrophobicContact CD1-CG2 4.25Å; A22-V26 WeakPolarHBondContact O-CG2 3.28Å; A22-V26 PolarHBondContact O-N 3.29Å; A22-V26 VanDerWaalsContact O-N 3.13Å; V23-V26 PolarHBondContact O-N 3.29Å; E24-V26 PolarHBondContact O-N 2.72Å; V26-L29 PolarHBondContact O-N 2.84Å; V26-L30 HydrophobicContact CG1-CD1 3.82Å; V26-L30 HydrophobicContact CG1-CG 4.35Å; V26-L30 WeakPolarHBondContact O-CB 3.16Å; V26-L30 WeakPolarHBondContact O-CG 3.41Å; V26-L30 PolarHBondContact O-N 2.83Å; V26-L83 HydrophobicContact CB-CD2 4.47Å; V26-L83 HydrophobicContact CG1-CD1 3.92Å; V26-L83 HydrophobicContact CG1-CD2 3.87Å; V26-V124 HydrophobicContact CG2-CB 4.33Å; V26-V124 HydrophobicContact CG2-CG1 4.28Å; V26-V124 HydrophobicContact CG2-CG2 3.74Å
27R87.6Confident86.2Confident33 Ų3341.3 Ų41.313%0.12520%0.203CC..Hα-helixtrans-60.9-48.9178.6-171.8174.573.8-162.711.7111.2V23 E24 C25 L29 L30 E31 L83V23-R27 WeakPolarHBondContact O-CB 3.19Å; V23-R27 PolarHBondContact O-N 3.16Å; E24-R27 PolarHBondContact O-N 3.19Å; E24-R27 IonicContact OE1-CZ 3.42Å; E24-R27 IonicContact OE1-NE 2.82Å; E24-R27 IonicContact OE1-NH1 3.74Å; E24-R27 PolarHBondContact OE1-NH1 3.5Å; E24-R27 IonicContact OE1-NH2 2.7Å; E24-R27 PolarHBondContact OE1-NH2 3.2Å; E24-R27 IonicContact OE2-CZ 3.9Å; E24-R27 IonicContact OE2-NE 2.83Å; E24-R27 PolarHBondContact OE2-NE 3.39Å; E24-R27 IonicContact OE2-NH1 2.68Å; E24-R27 IonicContact OE2-NH2 2.65Å; E24-R27 PolarHBondContact OE2-NH2 3.02Å; C25-R27 VanDerWaalsContact C-N 3.34Å; R27-L29 PolarHBondContact O-N 2.96Å; R27-L30 PolarHBondContact O-N 3.06Å; R27-E31 WeakPolarHBondContact O-CB 3.24Å; R27-E31 PolarHBondContact O-N 3.27Å; R27-L83 HydrophobicContact CB-CB 4.47Å; R27-L83 HydrophobicContact CB-CD1 4.31Å
28L82.6Confident86Confident35 Ų3538.8 Ų38.818%0.18319%0.187CC..Hα-helixtrans-62-41.4179-73.5171.1000112.3E24 C25 K32 V212 L215 P552E24-L28 WeakPolarHBondContact O-CB 3.21Å; E24-L28 WeakPolarHBondContact O-CG 3.12Å; E24-L28 PolarHBondContact O-N 3.36Å; C25-L28 PolarHBondContact O-N 2.9Å; L28-K32 WeakPolarHBondContact O-CB 3.3Å; L28-K32 PolarHBondContact O-N 3.45Å; L28-V212 HydrophobicContact CD1-CG1 3.44Å; L28-V212 VanDerWaalsContact CD1-CG1 3.44Å; L28-L215 HydrophobicContact CB-CD1 3.68Å; L28-L215 HydrophobicContact CD1-CD1 4.36Å; L28-P552 HydrophobicContact CD1-CG 4.11Å
29L84.6Confident86Confident7 Ų744.4 Ų44.44%0.03721%0.209CC..Hα-helixtrans-59.3-48.2175.8-18066.9000111.7L5 C25 V26 R27 K33 L122 L215 F218L5-L29 HydrophobicContact CD2-CD2 4.21Å; C25-L29 WeakPolarHBondContact O-CB 3.31Å; C25-L29 PolarHBondContact O-N 3.22Å; V26-L29 PolarHBondContact O-N 2.84Å; R27-L29 PolarHBondContact O-N 2.96Å; L29-K33 PolarHBondContact O-N 3.44Å; L29-L122 HydrophobicContact CD2-CD2 3.5Å; L29-L215 HydrophobicContact CB-CD2 3.83Å; L29-L215 HydrophobicContact CD1-CD2 3.99Å; L29-L215 HydrophobicContact CG-CD2 4.47Å; L29-F218 HydrophobicContact CD1-CB 4.08Å
30L88.5Confident85.9Confident0 Ų044.1 Ų44.10%021%0.208CC..Hα-helixtrans-75.6-36.8-177.2-64.8-179.9000112.6L5 V26 R27 K33 F34 V42 I75 V79 L80 L83L5-L30 HydrophobicContact CD2-CD2 4.35Å; V26-L30 HydrophobicContact CG1-CD1 3.82Å; V26-L30 HydrophobicContact CG1-CG 4.35Å; V26-L30 WeakPolarHBondContact O-CB 3.16Å; V26-L30 WeakPolarHBondContact O-CG 3.41Å; V26-L30 PolarHBondContact O-N 2.83Å; R27-L30 PolarHBondContact O-N 3.06Å; L30-K33 PolarHBondContact O-N 3.12Å; L30-F34 VanDerWaalsContact O-CB 3.28Å; L30-F34 WeakPolarHBondContact O-CB 3.47Å; L30-F34 PolarHBondContact O-N 2.99Å; L30-V42 HydrophobicContact CD1-CG1 4.43Å; L30-V42 HydrophobicContact CD2-CB 4.36Å; L30-V42 HydrophobicContact CD2-CG1 3.81Å; L30-V42 HydrophobicContact CD2-CG2 3.75Å; L30-I75 HydrophobicContact CD2-CD1 4.29Å; L30-V79 HydrophobicContact CD1-CG1 3.83Å; L30-L80 HydrophobicContact CB-CD2 4.08Å; L30-L83 HydrophobicContact CD1-CD1 3.81Å
31E86.2Confident86.1Confident6 Ų636.9 Ų36.93%0.02818%0.182CC..Hα-helixtrans-58.7-47.8174.9-173.3178.5145.500110.6R27 K33 F34 F35 L80 F519 A520 R523R27-E31 WeakPolarHBondContact O-CB 3.24Å; R27-E31 PolarHBondContact O-N 3.27Å; E31-K33 PolarHBondContact O-N 2.8Å; E31-F34 PolarHBondContact O-N 3.24Å; E31-F35 HydrophobicContact CG-CD2 3.57Å; E31-F35 HydrophobicContact CG-CE2 3.34Å; E31-F35 VanDerWaalsContact O-CD2 3.26Å; E31-F35 WeakPolarHBondContact O-CD2 3.48Å; E31-F35 PolarHBondContact O-N 3.2Å; E31-L80 HydrophobicContact CB-CD2 4.39Å; E31-F519 HydrophobicContact CG-CB 4.37Å; E31-F519 WeakPolarHBondContact OE1-CB 3.48Å; E31-A520 VanDerWaalsContact OE1-CA 3.32Å; E31-A520 WeakPolarHBondContact OE1-CA 3.28Å; E31-A520 PolarHBondContact OE1-N 2.87Å; E31-R523 WeakPolarHBondContact OE2-CD 3.34Å; E31-R523 IonicContact OE2-CZ 2.9Å; E31-R523 IonicContact OE2-NE 3.8Å; E31-R523 PolarHBondContact OE2-NE 3.19Å
32K81.6Confident86.6Confident40 Ų4032.8 Ų32.817%0.17416%0.163CC..Hα-helixtrans-61.2-45.3177.5-167.5173.9-173.2-164.10111.8L28 A36 E219 S511 F519L28-K32 WeakPolarHBondContact O-CB 3.3Å; L28-K32 PolarHBondContact O-N 3.45Å; K32-A36 WeakPolarHBondContact O-CB 3.44Å; K32-A36 PolarHBondContact O-N 2.68Å; K32-E219 WeakPolarHBondContact CD-OE1 3.42Å; K32-E219 VanDerWaalsContact CE-CD 3.46Å; K32-E219 WeakPolarHBondContact CE-OE1 3.47Å; K32-E219 WeakPolarHBondContact CG-OE1 3.5Å; K32-E219 IonicContact NZ-OE1 3.76Å; K32-E219 PolarHBondContact NZ-OE1 3Å; K32-E219 IonicContact NZ-OE2 2.89Å; K32-E219 PolarHBondContact NZ-OE2 2.91Å; K32-S511 PolarHBondContact NZ-OG 2.9Å; K32-F519 HydrophobicContact CG-CE2 4.12Å
33K85.5Confident86.9Confident14 Ų1432.8 Ų32.86%0.06116%0.163CC..Hα-helixtrans-64.8-38.2176.5-75.6-176.3175.6-690112.6L5 L29 L30 E31 S38 D40 I75L5-K33 HydrophobicContact CD2-CD 4.48Å; L29-K33 PolarHBondContact O-N 3.44Å; L30-K33 PolarHBondContact O-N 3.12Å; E31-K33 PolarHBondContact O-N 2.8Å; K33-S38 WeakPolarHBondContact O-CB 3.18Å; K33-S38 PolarHBondContact O-N 3.39Å; K33-D40 IonicContact NZ-OD2 3.64Å; K33-D40 PolarHBondContact NZ-OD2 3.17Å; K33-I75 HydrophobicContact CB-CD1 3.43Å; K33-I75 VanDerWaalsContact CB-CD1 3.43Å; K33-I75 HydrophobicContact CD-CD1 4.29Å
34F89.4Confident87.3Confident44 Ų4432.8 Ų32.819%0.19316%0.163CC..Hα-helixtrans-65.9-53.2179.7-177.2-107.8000111.6L30 E31 A36 E37 I75 W77 L80L30-F34 VanDerWaalsContact O-CB 3.28Å; L30-F34 WeakPolarHBondContact O-CB 3.47Å; L30-F34 PolarHBondContact O-N 2.99Å; E31-F34 PolarHBondContact O-N 3.24Å; F34-A36 VanDerWaalsContact C-N 3.32Å; F34-A36 PolarHBondContact O-N 3.27Å; F34-E37 PolarHBondContact O-N 3.05Å; F34-E37 VanDerWaalsContact O-N 3.07Å; F34-I75 HydrophobicContact CB-CB 4.48Å; F34-I75 HydrophobicContact CB-CG2 3.9Å; F34-I75 HydrophobicContact CD2-CB 4.01Å; F34-I75 HydrophobicContact CD2-CG2 3.74Å; F34-I75 WeakPolarHBondContact CD2-O 3.41Å; F34-I75 WeakPolarHBondContact CE2-O 3.37Å; F34-I75 HydrophobicContact CG-CG2 4.18Å; F34-W77 AromaticContact CE1-CD2 3.98Å; F34-W77 HydrophobicContact CE1-CD2 3.98Å; F34-W77 AromaticContact CE1-CE2 3.62Å; F34-W77 HydrophobicContact CE1-CE3 4.33Å; F34-W77 HydrophobicContact CE1-CH2 4.05Å; F34-W77 AromaticContact CE1-CZ2 3.67Å; F34-W77 HydrophobicContact CE1-CZ2 3.67Å; F34-W77 HydrophobicContact CE1-CZ3 4.37Å; F34-W77 AromaticContact CZ-CD1 3.88Å; F34-W77 AromaticContact CZ-CD2 3.96Å; F34-W77 HydrophobicContact CZ-CD2 3.96Å; F34-W77 AromaticContact CZ-CE2 3.64Å; F34-W77 HydrophobicContact CZ-CG 4.12Å; F34-W77 HydrophobicContact CZ-CZ2 4.12Å; F34-W77 AromaticContact CZ-NE1 3.58Å; F34-L80 HydrophobicContact CB-CD1 4.28Å; F34-L80 HydrophobicContact CD1-CD1 3.68Å; F34-L80 HydrophobicContact CE1-CD1 4.18Å; F34-L80 HydrophobicContact CG-CD1 3.98Å
35F87.9Confident87.9Confident18 Ų1830.6 Ų30.68%0.07915%0.153CC..Hα-helixtrans-75.2-19.1-178.2-64.5-54.8000114.1E31 E37 W77 P254 F519 L522 R523E31-F35 HydrophobicContact CG-CD2 3.57Å; E31-F35 HydrophobicContact CG-CE2 3.34Å; E31-F35 VanDerWaalsContact O-CD2 3.26Å; E31-F35 WeakPolarHBondContact O-CD2 3.48Å; E31-F35 PolarHBondContact O-N 3.2Å; F35-E37 PolarHBondContact O-N 3.35Å; F35-W77 AromaticContact CE1-CH2 3.84Å; F35-W77 HydrophobicContact CE1-CH2 3.84Å; F35-W77 HydrophobicContact CE1-CZ2 4.36Å; F35-W77 HydrophobicContact CZ-CH2 4.01Å; F35-W77 HydrophobicContact CZ-CZ3 4.34Å; F35-P254 WeakPolarHBondContact O-CG 3.33Å; F35-F519 HydrophobicContact CB-CD1 3.4Å; F35-F519 HydrophobicContact CB-CD2 4.32Å; F35-F519 HydrophobicContact CB-CE1 3.39Å; F35-F519 HydrophobicContact CB-CE2 4.31Å; F35-F519 HydrophobicContact CB-CG 3.9Å; F35-F519 HydrophobicContact CB-CZ 3.87Å; F35-F519 HydrophobicContact CD2-CB 3.55Å; F35-F519 AromaticContact CD2-CD1 3.83Å; F35-F519 HydrophobicContact CD2-CD1 3.83Å; F35-F519 HydrophobicContact CD2-CD2 4.41Å; F35-F519 AromaticContact CD2-CG 3.68Å; F35-F519 HydrophobicContact CD2-CG 3.68Å; F35-F519 HydrophobicContact CE2-CB 4.03Å; F35-F519 VanDerWaalsContact CE2-O 3.28Å; F35-F519 WeakPolarHBondContact CE2-O 3.42Å; F35-F519 HydrophobicContact CG-CB 4.43Å; F35-F519 AromaticContact CG-CD1 3.84Å; F35-F519 HydrophobicContact CG-CD1 3.84Å; F35-F519 HydrophobicContact CG-CE1 4.32Å; F35-F519 HydrophobicContact CG-CG 4.16Å; F35-L522 HydrophobicContact CD1-CB 4.2Å; F35-L522 HydrophobicContact CD1-CD1 3.82Å; F35-L522 HydrophobicContact CE1-CB 3.64Å; F35-L522 HydrophobicContact CE1-CD1 4.09Å; F35-L522 HydrophobicContact CE2-CB 4.14Å; F35-L522 HydrophobicContact CG-CD1 4.22Å; F35-L522 HydrophobicContact CZ-CB 3.61Å; F35-R523 HydrophobicContact CE2-CB 4.06Å; F35-R523 HydrophobicContact CZ-CB 4.01Å
36A81.7Confident88.5Confident62 Ų6231.2 Ų31.251%0.51216%0.156SC..THydrogen-bonded Turntrans-76.84.9167.800000113.6K32 F34 S38K32-A36 WeakPolarHBondContact O-CB 3.44Å; K32-A36 PolarHBondContact O-N 2.68Å; F34-A36 VanDerWaalsContact C-N 3.32Å; F34-A36 PolarHBondContact O-N 3.27Å; A36-S38 PolarHBondContact O-N 3.27Å
37E84.7Confident88.7Confident165 Ų16531.1 Ų31.177%0.77116%0.156SC*.THydrogen-bonded Turntrans52.639.6-176.3-59.2-176.5176.100112.4F34 F35F34-E37 PolarHBondContact O-N 3.05Å; F34-E37 VanDerWaalsContact O-N 3.07Å; F35-E37 PolarHBondContact O-N 3.35Å
38S83.6Confident89Confident28 Ų2829.6 Ų29.620%0.19615%0.15CC..  trans-62.8142.6179.8-169.20000110.8K33 A36 D40K33-S38 WeakPolarHBondContact O-CB 3.18Å; K33-S38 PolarHBondContact O-N 3.39Å; A36-S38 PolarHBondContact O-N 3.27Å; S38-D40 PolarHBondContact O-N 3.06Å; S38-D40 PolarHBondContact OG-N 2.99Å; S38-D40 PolarHBondContact OG-OD1 3.45Å; S38-D40 PolarHBondContact OG-OD2 2.98Å
39K86.8Confident89.5Confident162 Ų16228.4 Ų28.470%0.70414%0.144SC*.  trans-82.74.6173.4-62-172.7179.7-174.10112.5A2A2-K39 HydrophobicContact CB-CB 4.47Å; A2-K39 WeakPolarHBondContact CB-O 3.45Å
40D87.7Confident89.8Confident1 Ų133.5 Ų33.51%0.00517%0.172CC..  trans-63.8147.1-179.3-62.4-25.8000111T3 K33 S38T3-D40 VanDerWaalsContact CB-OD1 3.27Å; T3-D40 WeakPolarHBondContact CB-OD1 3.14Å; T3-D40 PolarHBondContact N-OD1 3.49Å; T3-D40 WeakPolarHBondContact O-CA 3.26Å; T3-D40 WeakPolarHBondContact O-CB 3.47Å; T3-D40 PolarHBondContact OG1-OD1 2.75Å; K33-D40 IonicContact NZ-OD2 3.64Å; K33-D40 PolarHBondContact NZ-OD2 3.17Å; S38-D40 PolarHBondContact O-N 3.06Å; S38-D40 PolarHBondContact OG-N 2.99Å; S38-D40 PolarHBondContact OG-OD1 3.45Å; S38-D40 PolarHBondContact OG-OD2 2.98Å
41E92.2Very high89.9Confident19 Ų1936.1 Ų36.19%0.08919%0.193CC..EExtended strand (participates in β ladder)trans-109.5139.1172.8-62-179.4165.900108.6T3 L5 L72 A73 K113T3-E41 PolarHBondContact O-N 2.9Å; L5-E41 PolarHBondContact N-O 3.43Å; E41-L72 HydrophobicContact CB-CD1 3.81Å; E41-L72 HydrophobicContact CB-CG 3.85Å; E41-L72 WeakPolarHBondContact O-CD1 3.12Å; E41-A73 CarbonylContact C-O 3.47Å; E41-A73 VanDerWaalsContact CA-O 3.29Å; E41-A73 WeakPolarHBondContact CA-O 3.36Å; E41-K113 IonicContact OE1-NZ 2.55Å; E41-K113 PolarHBondContact OE1-NZ 2.69Å; E41-K113 IonicContact OE2-NZ 3.21Å; E41-K113 PolarHBondContact OE2-NZ 3.32Å
42V93.5Very high90.2Very high6 Ų638.2 Ų38.24%0.03621%0.206CC..EExtended strand (participates in β ladder)trans-122.7135.2-175178.80000109.6L5 V7 L30 A73 I75L5-V42 HydrophobicContact CB-CG2 4.27Å; L5-V42 HydrophobicContact CD2-CG2 4.32Å; L5-V42 CarbonylContact O-C 3.56Å; L5-V42 VanDerWaalsContact O-CA 3.28Å; L5-V42 WeakPolarHBondContact O-CA 3.31Å; V7-V42 HydrophobicContact CG2-CG1 4.32Å; L30-V42 HydrophobicContact CD1-CG1 4.43Å; L30-V42 HydrophobicContact CD2-CB 4.36Å; L30-V42 HydrophobicContact CD2-CG1 3.81Å; L30-V42 HydrophobicContact CD2-CG2 3.75Å; V42-A73 PolarHBondContact N-O 3.21Å; V42-A73 PolarHBondContact O-N 2.79Å; V42-I75 HydrophobicContact CB-CG1 4.18Å; V42-I75 HydrophobicContact CG2-CD1 3.79Å; V42-I75 HydrophobicContact CG2-CG1 3.5Å; V42-I75 VanDerWaalsContact CG2-CG1 3.5Å
43A95.6Very high90.7Very high0 Ų041.3 Ų41.30%023%0.225CC..EExtended strand (participates in β ladder)trans-114139.7164.500000108.7L5 V7 I45 F70 L72L5-A43 PolarHBondContact O-N 2.91Å; V7-A43 PolarHBondContact N-O 3.35Å; A43-I45 HydrophobicContact CB-CD1 4.31Å; A43-F70 VanDerWaalsContact CA-O 3.27Å; A43-F70 WeakPolarHBondContact CA-O 3.13Å; A43-L72 HydrophobicContact CB-CB 4.17Å; A43-L72 HydrophobicContact CB-CD1 4.15Å
44L96.5Very high91.1Very high0 Ų041.6 Ų41.60%023%0.227CC..EExtended strand (participates in β ladder)trans-115.5120.6177.3-176.464.8000109.1V7 L9 L46 L68 A69 F70 F82 L83V7-L44 HydrophobicContact CB-CD1 4Å; V7-L44 HydrophobicContact CG1-CD1 3.99Å; L9-L44 HydrophobicContact CB-CD1 4.23Å; L44-L46 HydrophobicContact CD2-CD2 4.28Å; L44-L46 HydrophobicContact CG-CD2 4.15Å; L44-L68 CarbonylContact O-C 3.55Å; L44-A69 HydrophobicContact CD2-CB 4.25Å; L44-A69 HydrophobicContact CG-CB 4.36Å; L44-A69 PolarHBondContact O-N 2.93Å; L44-F70 HydrophobicContact CB-CB 4.14Å; L44-F70 HydrophobicContact CB-CD2 4Å; L44-F70 HydrophobicContact CD2-CD2 3.92Å; L44-F70 HydrophobicContact CD2-CE2 4.28Å; L44-F70 PolarHBondContact N-O 3.02Å; L44-F70 PolarHBondContact O-N 3.39Å; L44-F82 HydrophobicContact CD2-CD1 3.74Å; L44-F82 HydrophobicContact CD2-CE1 3.83Å; L44-L83 HydrophobicContact CD2-CD2 4.32Å
45I96.6Very high91.1Very high1 Ų144.1 Ų44.11%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-112.8127.7177.5-55.984.1000106.9V7 V8 L9 A43 I66 C67 L68 V101V7-I45 PolarHBondContact O-N 2.74Å; V8-I45 CarbonylContact C-O 3.56Å; V8-I45 WeakPolarHBondContact CA-O 3.44Å; V8-I45 HydrophobicContact CG2-CB 4.21Å; V8-I45 HydrophobicContact CG2-CD1 4.48Å; L9-I45 PolarHBondContact N-O 3.42Å; A43-I45 HydrophobicContact CB-CD1 4.31Å; I45-I66 HydrophobicContact CG2-CG2 3.73Å; I45-C67 CarbonylContact C-O 3.57Å; I45-C67 WeakPolarHBondContact CA-O 3.38Å; I45-L68 HydrophobicContact CD1-CD1 4.31Å; I45-L68 HydrophobicContact CG1-CD1 3.84Å; I45-V101 HydrophobicContact CG2-CG1 4.31Å
46L96.3Very high91.2Very high13 Ų1345.8 Ų45.87%0.06827%0.266CS..EExtended strand (participates in β ladder)trans-98.7128.2174.8-53.3-178.4000108.9L9 V11 L44 I66 C67 A69 F82L9-L46 HydrophobicContact CB-CD2 4.29Å; L9-L46 HydrophobicContact CD2-CD2 4.39Å; L9-L46 WeakPolarHBondContact O-CA 3.36Å; V11-L46 HydrophobicContact CG1-CB 4.47Å; V11-L46 HydrophobicContact CG1-CD2 4.03Å; V11-L46 HydrophobicContact CG2-CB 4.2Å; L44-L46 HydrophobicContact CD2-CD2 4.28Å; L44-L46 HydrophobicContact CG-CD2 4.15Å; L46-I66 WeakPolarHBondContact O-CA 3.46Å; L46-C67 HydrophobicContact CB-CB 4.39Å; L46-C67 PolarHBondContact N-O 2.87Å; L46-C67 PolarHBondContact O-N 2.89Å; L46-A69 HydrophobicContact CD1-CB 3.99Å; L46-A69 HydrophobicContact CG-CB 3.98Å; L46-F82 HydrophobicContact CD1-CE1 4.14Å; L46-F82 HydrophobicContact CD1-CZ 3.95Å; L46-F82 HydrophobicContact CD2-CE1 4.32Å
47C94.6Very high91.5Very high0 Ų044.7 Ų44.70%026%0.257CS..EExtended strand (participates in β ladder)trans-106.1126173.91790000109.1V8 L9 V11 D94 A98V8-C47 HydrophobicContact CG1-CB 4.17Å; L9-C47 PolarHBondContact O-N 2.7Å; V11-C47 VanDerWaalsContact CG2-O 3.3Å; V11-C47 WeakPolarHBondContact CG2-O 3.5Å; V11-C47 PolarHBondContact N-O 3.37Å; C47-D94 VanDerWaalsContact SG-C 3.6Å; C47-D94 PolarHBondContact SG-O 2.96Å; C47-D94 VanDerWaalsContact SG-O 3.39Å; C47-A98 HydrophobicContact CB-CB 3.71Å
48G92.8Very high91.4Very high0 Ų039.6 Ų39.60%024%0.235CC..SBendtrans86.719.6-175.600000114.8N65 S89 S91 G93G48-N65 CarbonylContact C-O 3.48Å; G48-N65 WeakPolarHBondContact CA-O 3.44Å; G48-N65 PolarHBondContact N-O 3.36Å; G48-S89 WeakPolarHBondContact O-CB 3.47Å; G48-S89 PolarHBondContact O-OG 3.35Å; G48-S91 WeakPolarHBondContact O-CB 3.46Å; G48-G93 VanDerWaalsContact CA-N 3.29Å
49S93Very high90.9Very high10 Ų1048 Ų487%0.0727%0.271CS..  trans-70.5151.3175.352.10000112.3A51 N65 C67S49-A51 PolarHBondContact O-N 3.06Å; S49-A51 PolarHBondContact OG-O 3.02Å; S49-N65 PolarHBondContact N-O 3.49Å; S49-N65 WeakPolarHBondContact O-CA 3.48Å; S49-N65 WeakPolarHBondContact O-CB 3.41Å; S49-N65 PolarHBondContact O-ND2 3.12Å; S49-N65 PolarHBondContact OG-O 3.39Å; S49-C67 WeakPolarHBondContact OG-CB 3.5Å; S49-C67 PolarHBondContact OG-N 3.29Å
50D91.2Very high90.2Very high114 Ų11448.8 Ų48.861%0.6128%0.277SS*.SBendtrans-65.6-20.3174.5-70-30.9000113S89 S91D50-S89 PolarHBondContact N-OG 3.42Å; D50-S89 PolarHBondContact OD1-OG 2.91Å; D50-S91 WeakPolarHBondContact OD1-CB 3.14Å; D50-S91 PolarHBondContact OD1-OG 3.22Å
51A90.9Very high89.8Confident55 Ų5550.8 Ų50.846%0.45530%0.298SS..SBendtrans-103.7149.9173.300000111.5S49S49-A51 PolarHBondContact O-N 3.06Å; S49-A51 PolarHBondContact OG-O 3.02Å
52T92.6Very high89.5Confident50 Ų5052.1 Ų52.131%0.30731%0.309SS..  trans-109.1113.1166.9-54.20000107.9A57 F63 Q64 N65 I66T52-A57 HydrophobicContact CG2-CB 3.68Å; T52-F63 WeakPolarHBondContact CG2-O 3.32Å; T52-Q64 PolarHBondContact OG1-OE1 2.9Å; T52-N65 PolarHBondContact OG1-N 2.82Å; T52-I66 WeakPolarHBondContact CA-O 3.42Å
53D92.5Very high89.2Confident106 Ų10653.3 Ų53.357%0.56731%0.314SS*.BIsolated β-bridgetrans-141.285.1175.5-174.110.7000109.4I66 C67 L68D53-I66 PolarHBondContact N-O 3.05Å; D53-C67 CarbonylContact O-C 3.57Å; D53-C67 WeakPolarHBondContact O-CA 3.43Å; D53-L68 PolarHBondContact O-N 3.16Å
54N92.2Very high89Confident19 Ų1956.8 Ų56.810%0.10233%0.33CS..  trans-150.1157.2175.869.880.6000110.4L56 A57 F63 I66 V101N54-L56 VanDerWaalsContact C-N 3.27Å; N54-L56 PolarHBondContact O-N 3.33Å; N54-L56 PolarHBondContact OD1-N 3.34Å; N54-L56 VanDerWaalsContact OD1-N 3.14Å; N54-A57 PolarHBondContact OD1-N 2.94Å; N54-F63 PolarHBondContact ND2-O 2.69Å; N54-I66 HydrophobicContact CB-CG2 4.49Å; N54-I66 PolarHBondContact ND2-O 3.1Å; N54-V101 HydrophobicContact CB-CG1 3.78Å; N54-V101 HydrophobicContact CB-CG2 4.17Å
55A90.2Very high88.8Confident97 Ų9758.9 Ų58.980%0.80234%0.341SS*.THydrogen-bonded Turntrans-75.1-12.9-173.200000114.6
56L90.1Very high88.7Confident54 Ų5458.9 Ų58.928%0.28334%0.341SS..THydrogen-bonded Turntrans-97.8-14.4-177.6-59.5-177.9000112.8N54 D58 F63 V101 D104N54-L56 VanDerWaalsContact C-N 3.27Å; N54-L56 PolarHBondContact O-N 3.33Å; N54-L56 PolarHBondContact OD1-N 3.34Å; N54-L56 VanDerWaalsContact OD1-N 3.14Å; L56-D58 PolarHBondContact O-N 2.7Å; L56-F63 HydrophobicContact CB-CD1 4.28Å; L56-F63 HydrophobicContact CB-CD2 3.73Å; L56-F63 HydrophobicContact CB-CE2 3.99Å; L56-F63 HydrophobicContact CB-CG 3.9Å; L56-F63 HydrophobicContact CB-CZ 4.39Å; L56-F63 HydrophobicContact CD1-CD1 4.46Å; L56-F63 HydrophobicContact CD1-CE1 4.18Å; L56-F63 HydrophobicContact CD1-CZ 4.31Å; L56-F63 VanDerWaalsContact O-CD2 3.29Å; L56-F63 WeakPolarHBondContact O-CD2 3.36Å; L56-V101 HydrophobicContact CB-CG2 4.37Å; L56-V101 HydrophobicContact CD1-CG2 4.03Å; L56-V101 HydrophobicContact CG-CG2 4.47Å; L56-D104 HydrophobicContact CD1-CB 4.03Å
57A88Confident88.6Confident39 Ų3959.2 Ų59.232%0.32235%0.345SS..  trans-59.7124.8177.800000110.6T52 N54T52-A57 HydrophobicContact CG2-CB 3.68Å; N54-A57 PolarHBondContact OD1-N 2.94Å
58D82.7Confident88.6Confident57 Ų5760.8 Ų60.831%0.30535%0.353SS..  trans-111.1169.4178.959.521.9000111.2L56 E60 G61 S62L56-D58 PolarHBondContact O-N 2.7Å; D58-E60 PolarHBondContact O-N 3.36Å; D58-E60 PolarHBondContact OD1-N 3.46Å; D58-G61 PolarHBondContact O-N 2.8Å; D58-G61 PolarHBondContact OD1-N 2.95Å; D58-S62 WeakPolarHBondContact OD1-CB 3.37Å; D58-S62 PolarHBondContact OD1-N 3.36Å; D58-S62 PolarHBondContact OD1-OG 3.2Å; D58-S62 WeakPolarHBondContact OD2-CB 3.3Å; D58-S62 PolarHBondContact OD2-OG 2.82Å
59E73.3Confident88.7Confident206 Ų20662.3 Ų62.396%0.96337%0.365SS*.THydrogen-bonded Turntrans-69.8-13.5173.2-63.3-174.3175.400112.2G61E59-G61 VanDerWaalsContact C-N 3.28Å
60E71.4Confident88.8Confident178 Ų17864 Ų6483%0.83237%0.372SS*.THydrogen-bonded Turntrans-79.1-12.1-179.3-61.5-173.3174.200112.6D58D58-E60 PolarHBondContact O-N 3.36Å; D58-E60 PolarHBondContact OD1-N 3.46Å
61G80.4Confident89Confident43 Ų4363.6 Ų63.644%0.44337%0.366SS..SBendtrans96.915175.400000114D58 E59 Q64D58-G61 PolarHBondContact O-N 2.8Å; D58-G61 PolarHBondContact OD1-N 2.95Å; E59-G61 VanDerWaalsContact C-N 3.28Å; G61-Q64 WeakPolarHBondContact O-CG 3.32Å
62S84.5Confident89.2Confident46 Ų4661.5 Ų61.532%0.32235%0.347SS..THydrogen-bonded Turntrans-77.4150.5172-44.10000110.6D58 Q64D58-S62 WeakPolarHBondContact OD1-CB 3.37Å; D58-S62 PolarHBondContact OD1-N 3.36Å; D58-S62 PolarHBondContact OD1-OG 3.2Å; D58-S62 WeakPolarHBondContact OD2-CB 3.3Å; D58-S62 PolarHBondContact OD2-OG 2.82Å; S62-Q64 VanDerWaalsContact C-N 3.27Å; S62-Q64 PolarHBondContact O-N 2.95Å
63F88.1Confident89.2Confident32 Ų3261.3 Ų61.314%0.1435%0.35CS..THydrogen-bonded Turntrans57.533.7176.9-48.9-83.3000114.7T52 N54 L56 I66 D97 M100 V101T52-F63 WeakPolarHBondContact CG2-O 3.32Å; N54-F63 PolarHBondContact ND2-O 2.69Å; L56-F63 HydrophobicContact CB-CD1 4.28Å; L56-F63 HydrophobicContact CB-CD2 3.73Å; L56-F63 HydrophobicContact CB-CE2 3.99Å; L56-F63 HydrophobicContact CB-CG 3.9Å; L56-F63 HydrophobicContact CB-CZ 4.39Å; L56-F63 HydrophobicContact CD1-CD1 4.46Å; L56-F63 HydrophobicContact CD1-CE1 4.18Å; L56-F63 HydrophobicContact CD1-CZ 4.31Å; L56-F63 VanDerWaalsContact O-CD2 3.29Å; L56-F63 WeakPolarHBondContact O-CD2 3.36Å; F63-I66 HydrophobicContact CB-CD1 4.41Å; F63-D97 WeakPolarHBondContact CA-OD2 3.48Å; F63-D97 HydrophobicContact CD1-CB 3.56Å; F63-D97 HydrophobicContact CE1-CB 4.05Å; F63-D97 HydrophobicContact CG-CB 4.4Å; F63-D97 PolarHBondContact N-OD2 3.19Å; F63-D97 VanDerWaalsContact N-OD2 3.09Å; F63-M100 HydrophobicContact CE1-CB 3.84Å; F63-V101 HydrophobicContact CB-CG2 4.35Å; F63-V101 HydrophobicContact CD1-CG2 3.78Å; F63-V101 HydrophobicContact CG-CG2 4.32Å
64Q91.2Very high89.2Confident73 Ų7360.5 Ų60.534%0.34135%0.351SS..THydrogen-bonded Turntrans-75.8155.7178.1-65.1-63.6-31.300112.2T52 G61 S62 I66T52-Q64 PolarHBondContact OG1-OE1 2.9Å; G61-Q64 WeakPolarHBondContact O-CG 3.32Å; S62-Q64 VanDerWaalsContact C-N 3.27Å; S62-Q64 PolarHBondContact O-N 2.95Å; Q64-I66 PolarHBondContact O-N 3.35Å
65N92.7Very high89.1Confident44 Ų4460.6 Ų60.624%0.23535%0.351CS..THydrogen-bonded Turntrans5928.6-179.5-59.7104.3000113.4G48 S49 T52 T92G48-N65 CarbonylContact C-O 3.48Å; G48-N65 WeakPolarHBondContact CA-O 3.44Å; G48-N65 PolarHBondContact N-O 3.36Å; S49-N65 PolarHBondContact N-O 3.49Å; S49-N65 WeakPolarHBondContact O-CA 3.48Å; S49-N65 WeakPolarHBondContact O-CB 3.41Å; S49-N65 PolarHBondContact O-ND2 3.12Å; S49-N65 PolarHBondContact OG-O 3.39Å; T52-N65 PolarHBondContact OG1-N 2.82Å; N65-T92 WeakPolarHBondContact CB-O 3.33Å; N65-T92 PolarHBondContact OD1-O 3.07Å
66I94.3Very high89.2Confident0 Ų058.1 Ų58.10%033%0.328CS..EExtended strand (participates in β ladder)trans-120.4125.5176.1-63.7159.4000109.2I45 L46 T52 D53 N54 F63 Q64 D97 A98 V101I45-I66 HydrophobicContact CG2-CG2 3.73Å; L46-I66 WeakPolarHBondContact O-CA 3.46Å; T52-I66 WeakPolarHBondContact CA-O 3.42Å; D53-I66 PolarHBondContact N-O 3.05Å; N54-I66 HydrophobicContact CB-CG2 4.49Å; N54-I66 PolarHBondContact ND2-O 3.1Å; F63-I66 HydrophobicContact CB-CD1 4.41Å; Q64-I66 PolarHBondContact O-N 3.35Å; I66-D97 HydrophobicContact CD1-CB 3.36Å; I66-A98 HydrophobicContact CD1-CB 4.03Å; I66-A98 HydrophobicContact CG1-CB 4.13Å; I66-A98 HydrophobicContact CG2-CB 4.44Å; I66-V101 HydrophobicContact CG2-CB 4.19Å; I66-V101 HydrophobicContact CG2-CG1 4.07Å; I66-V101 HydrophobicContact CG2-CG2 4.1Å
67C94.8Very high89.3Confident21 Ų2160.6 Ų60.614%0.14233%0.334CS..EExtended strand (participates in β ladder)trans-127.4126.1-176.1177.40000111.2I45 L46 S49 D53 A69I45-C67 CarbonylContact C-O 3.57Å; I45-C67 WeakPolarHBondContact CA-O 3.38Å; L46-C67 HydrophobicContact CB-CB 4.39Å; L46-C67 PolarHBondContact N-O 2.87Å; L46-C67 PolarHBondContact O-N 2.89Å; S49-C67 WeakPolarHBondContact OG-CB 3.5Å; S49-C67 PolarHBondContact OG-N 3.29Å; D53-C67 CarbonylContact O-C 3.57Å; D53-C67 WeakPolarHBondContact O-CA 3.43Å; C67-A69 PolarHBondContact O-N 3.17Å; C67-A69 VanDerWaalsContact O-N 3.13Å
68L94.7Very high89.5Confident32 Ų3265.7 Ų65.717%0.16835%0.349CS..EExtended strand (participates in β ladder)trans-81.782.6171.1-177.167.4000109.6L44 I45 D53 F70 E71L44-L68 CarbonylContact O-C 3.55Å; I45-L68 HydrophobicContact CD1-CD1 4.31Å; I45-L68 HydrophobicContact CG1-CD1 3.84Å; D53-L68 PolarHBondContact O-N 3.16Å; L68-F70 VanDerWaalsContact C-N 3.3Å; L68-F70 PolarHBondContact O-N 3.48Å; L68-E71 HydrophobicContact CD2-CG 4.13Å
69A94.4Very high90Very high32 Ų3263.5 Ų63.526%0.26434%0.337SS..EExtended strand (participates in β ladder)trans-60.4-37-177.800000113.3L44 L46 C67 F82L44-A69 HydrophobicContact CD2-CB 4.25Å; L44-A69 HydrophobicContact CG-CB 4.36Å; L44-A69 PolarHBondContact O-N 2.93Å; L46-A69 HydrophobicContact CD1-CB 3.99Å; L46-A69 HydrophobicContact CG-CB 3.98Å; C67-A69 PolarHBondContact O-N 3.17Å; C67-A69 VanDerWaalsContact O-N 3.13Å; A69-F82 HydrophobicContact CB-CE1 4Å; A69-F82 HydrophobicContact CB-CZ 3.99Å
70F95.7Very high90.7Very high46 Ų4653.8 Ų53.820%0.20229%0.292CS..EExtended strand (participates in β ladder)trans-136.5125.3174.6-67.6-89.4000111.1A43 L44 L68 K78 V79 F82A43-F70 VanDerWaalsContact CA-O 3.27Å; A43-F70 WeakPolarHBondContact CA-O 3.13Å; L44-F70 HydrophobicContact CB-CB 4.14Å; L44-F70 HydrophobicContact CB-CD2 4Å; L44-F70 HydrophobicContact CD2-CD2 3.92Å; L44-F70 HydrophobicContact CD2-CE2 4.28Å; L44-F70 PolarHBondContact N-O 3.02Å; L44-F70 PolarHBondContact O-N 3.39Å; L68-F70 VanDerWaalsContact C-N 3.3Å; L68-F70 PolarHBondContact O-N 3.48Å; F70-K78 HydrophobicContact CE1-CB 4.05Å; F70-K78 HydrophobicContact CZ-CB 4.36Å; F70-V79 HydrophobicContact CD1-CG2 3.75Å; F70-V79 HydrophobicContact CD2-CG2 4.22Å; F70-V79 HydrophobicContact CE1-CG2 3.84Å; F70-V79 HydrophobicContact CE2-CG2 4.31Å; F70-V79 HydrophobicContact CG-CG2 3.94Å; F70-V79 HydrophobicContact CZ-CG2 4.13Å; F70-F82 HydrophobicContact CE2-CB 3.68Å; F70-F82 AromaticContact CE2-CD1 3.74Å; F70-F82 HydrophobicContact CE2-CD1 3.74Å; F70-F82 HydrophobicContact CE2-CD2 4.12Å; F70-F82 HydrophobicContact CE2-CE1 4.4Å; F70-F82 AromaticContact CE2-CG 3.57Å; F70-F82 HydrophobicContact CE2-CG 3.57Å; F70-F82 HydrophobicContact CZ-CB 3.83Å; F70-F82 HydrophobicContact CZ-CD2 4.41Å; F70-F82 HydrophobicContact CZ-CG 4.07Å
71E94.7Very high91.7Very high105 Ų10551.7 Ų51.749%0.49128%0.282SS..EExtended strand (participates in β ladder)trans-65.2160.4168.5-60.6-165.7163.200111.7L68 A73 R109L68-E71 HydrophobicContact CD2-CG 4.13Å; E71-A73 PolarHBondContact O-N 2.88Å; E71-R109 IonicContact OE1-CZ 3.5Å; E71-R109 IonicContact OE1-NH2 3.59Å; E71-R109 PolarHBondContact OE1-NH2 2.97Å; E71-R109 IonicContact OE2-CZ 3.91Å; E71-R109 IonicContact OE2-NH1 3.63Å; E71-R109 PolarHBondContact OE2-NH1 2.79Å; E71-R109 IonicContact OE2-NH2 3.83Å; E71-R109 PolarHBondContact OE2-NH2 3.09Å
72L94.2Very high92.3Very high12 Ų1253 Ų536%0.06328%0.275CS..EExtended strand (participates in β ladder)trans-62.6104.4-178.5-172.671.6000111.1A4 E41 A43 H105 L106 R109 I116A4-L72 HydrophobicContact CB-CD1 4.1Å; A4-L72 HydrophobicContact CB-CD2 4.04Å; E41-L72 HydrophobicContact CB-CD1 3.81Å; E41-L72 HydrophobicContact CB-CG 3.85Å; E41-L72 WeakPolarHBondContact O-CD1 3.12Å; A43-L72 HydrophobicContact CB-CB 4.17Å; A43-L72 HydrophobicContact CB-CD1 4.15Å; L72-H105 PolarHBondContact N-NE2 3.48Å; L72-H105 VanDerWaalsContact N-NE2 3.16Å; L72-L106 HydrophobicContact CD1-CD2 4Å; L72-L106 HydrophobicContact CD2-CD2 4.43Å; L72-R109 HydrophobicContact CB-CB 4.19Å; L72-R109 HydrophobicContact CB-CG 4.32Å; L72-R109 HydrophobicContact CD2-CB 3.81Å; L72-I116 HydrophobicContact CD2-CD1 4.29Å
73A93.1Very high92.5Very high45 Ų4551 Ų5137%0.37226%0.261SS..EExtended strand (participates in β ladder)trans-147.7163.4-176.500000111.4E41 V42 E71E41-A73 CarbonylContact C-O 3.47Å; E41-A73 VanDerWaalsContact CA-O 3.29Å; E41-A73 WeakPolarHBondContact CA-O 3.36Å; V42-A73 PolarHBondContact N-O 3.21Å; V42-A73 PolarHBondContact O-N 2.79Å; E71-A73 PolarHBondContact O-N 2.88Å
74P91.9Very high92.4Very high90 Ų9052.9 Ų52.958%0.58427%0.273SS*.EExtended strand (participates in β ladder)trans-54.8143.2171.1-24.634.7000111.6S76P74-S76 PolarHBondContact O-N 3.31Å
75I91.5Very high92Very high21 Ų2151.6 Ų51.611%0.10827%0.271CS..  trans-59.3132.8-179.5-52.5171.9000109.2L30 K33 F34 V42L30-I75 HydrophobicContact CD2-CD1 4.29Å; K33-I75 HydrophobicContact CB-CD1 3.43Å; K33-I75 VanDerWaalsContact CB-CD1 3.43Å; K33-I75 HydrophobicContact CD-CD1 4.29Å; F34-I75 HydrophobicContact CB-CB 4.48Å; F34-I75 HydrophobicContact CB-CG2 3.9Å; F34-I75 HydrophobicContact CD2-CB 4.01Å; F34-I75 HydrophobicContact CD2-CG2 3.74Å; F34-I75 WeakPolarHBondContact CD2-O 3.41Å; F34-I75 WeakPolarHBondContact CE2-O 3.37Å; F34-I75 HydrophobicContact CG-CG2 4.18Å; V42-I75 HydrophobicContact CB-CG1 4.18Å; V42-I75 HydrophobicContact CG2-CD1 3.79Å; V42-I75 HydrophobicContact CG2-CG1 3.5Å; V42-I75 VanDerWaalsContact CG2-CG1 3.5Å
76S91.7Very high91.7Very high44 Ų4457.7 Ų57.731%0.30830%0.298SS..  trans-130.5162-178.570.50000110.9P74 K78 V79P74-S76 PolarHBondContact O-N 3.31Å; S76-K78 PolarHBondContact O-N 2.91Å; S76-K78 VanDerWaalsContact O-N 3.13Å; S76-V79 PolarHBondContact O-N 2.89Å
77W92.3Very high91.4Very high106 Ų10659.6 Ų59.640%0.40231%0.308SS..Hα-helixtrans-51.5-34.4174.6-71.6107.1000113.1F34 F35 V79 L80 E81 L527F34-W77 AromaticContact CE1-CD2 3.98Å; F34-W77 HydrophobicContact CE1-CD2 3.98Å; F34-W77 AromaticContact CE1-CE2 3.62Å; F34-W77 HydrophobicContact CE1-CE3 4.33Å; F34-W77 HydrophobicContact CE1-CH2 4.05Å; F34-W77 AromaticContact CE1-CZ2 3.67Å; F34-W77 HydrophobicContact CE1-CZ2 3.67Å; F34-W77 HydrophobicContact CE1-CZ3 4.37Å; F34-W77 AromaticContact CZ-CD1 3.88Å; F34-W77 AromaticContact CZ-CD2 3.96Å; F34-W77 HydrophobicContact CZ-CD2 3.96Å; F34-W77 AromaticContact CZ-CE2 3.64Å; F34-W77 HydrophobicContact CZ-CG 4.12Å; F34-W77 HydrophobicContact CZ-CZ2 4.12Å; F34-W77 AromaticContact CZ-NE1 3.58Å; F35-W77 AromaticContact CE1-CH2 3.84Å; F35-W77 HydrophobicContact CE1-CH2 3.84Å; F35-W77 HydrophobicContact CE1-CZ2 4.36Å; F35-W77 HydrophobicContact CZ-CH2 4.01Å; F35-W77 HydrophobicContact CZ-CZ3 4.34Å; W77-V79 VanDerWaalsContact C-N 3.28Å; W77-V79 PolarHBondContact O-N 2.81Å; W77-L80 HydrophobicContact CE3-CD1 4.38Å; W77-L80 PolarHBondContact O-N 3.21Å; W77-L80 VanDerWaalsContact O-N 3.14Å; W77-E81 WeakPolarHBondContact O-CB 3.41Å; W77-E81 PolarHBondContact O-N 2.82Å; W77-L527 HydrophobicContact CE3-CD2 4.06Å; W77-L527 HydrophobicContact CE3-CG 4.49Å; W77-L527 HydrophobicContact CZ3-CG 4.49Å
78K92.5Very high91.2Very high147 Ų14761.4 Ų61.464%0.63932%0.316SS*.Hα-helixtrans-60-36.3178.3-63.8-175.5177-174.70113.1F70 S76 F82F70-K78 HydrophobicContact CE1-CB 4.05Å; F70-K78 HydrophobicContact CZ-CB 4.36Å; S76-K78 PolarHBondContact O-N 2.91Å; S76-K78 VanDerWaalsContact O-N 3.13Å; K78-F82 VanDerWaalsContact O-CB 3.25Å; K78-F82 WeakPolarHBondContact O-CB 3.33Å; K78-F82 PolarHBondContact O-N 3.08Å
79V92Very high90.9Very high10 Ų1060.2 Ų60.26%0.06131%0.31CS..Hα-helixtrans-70.7-39.2178.6-177.90000110.1L30 F70 S76 W77 F82 L83L30-V79 HydrophobicContact CD1-CG1 3.83Å; F70-V79 HydrophobicContact CD1-CG2 3.75Å; F70-V79 HydrophobicContact CD2-CG2 4.22Å; F70-V79 HydrophobicContact CE1-CG2 3.84Å; F70-V79 HydrophobicContact CE2-CG2 4.31Å; F70-V79 HydrophobicContact CG-CG2 3.94Å; F70-V79 HydrophobicContact CZ-CG2 4.13Å; S76-V79 PolarHBondContact O-N 2.89Å; W77-V79 VanDerWaalsContact C-N 3.28Å; W77-V79 PolarHBondContact O-N 2.81Å; V79-F82 PolarHBondContact O-N 2.63Å; V79-L83 WeakPolarHBondContact O-CG 3.45Å; V79-L83 PolarHBondContact O-N 3.39Å
80L89.2Confident90.7Very high3 Ų365.3 Ų65.32%0.01633%0.332CS..Hα-helixtrans-70.7-34.4178-61-179.2000112.6L30 E31 F34 W77L30-L80 HydrophobicContact CB-CD2 4.08Å; E31-L80 HydrophobicContact CB-CD2 4.39Å; F34-L80 HydrophobicContact CB-CD1 4.28Å; F34-L80 HydrophobicContact CD1-CD1 3.68Å; F34-L80 HydrophobicContact CE1-CD1 4.18Å; F34-L80 HydrophobicContact CG-CD1 3.98Å; W77-L80 HydrophobicContact CE3-CD1 4.38Å; W77-L80 PolarHBondContact O-N 3.21Å; W77-L80 VanDerWaalsContact O-N 3.14Å
81E91.4Very high90.4Very high134 Ų13464.6 Ų64.663%0.62633%0.333SS*.Hα-helixtrans-70.4-37.9173.8-174.6179.9-16700111.7W77 L83 L527W77-E81 WeakPolarHBondContact O-CB 3.41Å; W77-E81 PolarHBondContact O-N 2.82Å; E81-L83 VanDerWaalsContact C-N 3.31Å; E81-L83 PolarHBondContact O-N 3.11Å; E81-L527 HydrophobicContact CB-CD2 4.06Å
82F92.5Very high90.1Very high69 Ų6962.9 Ų62.930%0.30333%0.33SS..Hα-helixtrans-66-30.1-179.1-176.3-97.1000113.6L44 L46 A69 F70 K78 V79 D84 L87L44-F82 HydrophobicContact CD2-CD1 3.74Å; L44-F82 HydrophobicContact CD2-CE1 3.83Å; L46-F82 HydrophobicContact CD1-CE1 4.14Å; L46-F82 HydrophobicContact CD1-CZ 3.95Å; L46-F82 HydrophobicContact CD2-CE1 4.32Å; A69-F82 HydrophobicContact CB-CE1 4Å; A69-F82 HydrophobicContact CB-CZ 3.99Å; F70-F82 HydrophobicContact CE2-CB 3.68Å; F70-F82 AromaticContact CE2-CD1 3.74Å; F70-F82 HydrophobicContact CE2-CD1 3.74Å; F70-F82 HydrophobicContact CE2-CD2 4.12Å; F70-F82 HydrophobicContact CE2-CE1 4.4Å; F70-F82 AromaticContact CE2-CG 3.57Å; F70-F82 HydrophobicContact CE2-CG 3.57Å; F70-F82 HydrophobicContact CZ-CB 3.83Å; F70-F82 HydrophobicContact CZ-CD2 4.41Å; F70-F82 HydrophobicContact CZ-CG 4.07Å; K78-F82 VanDerWaalsContact O-CB 3.25Å; K78-F82 WeakPolarHBondContact O-CB 3.33Å; K78-F82 PolarHBondContact O-N 3.08Å; V79-F82 PolarHBondContact O-N 2.63Å; F82-D84 VanDerWaalsContact C-N 3.26Å; F82-D84 PolarHBondContact O-N 3.1Å; F82-L87 HydrophobicContact CD1-CD1 4.03Å; F82-L87 HydrophobicContact CD1-CD2 4.3Å; F82-L87 HydrophobicContact CE1-CD1 3.86Å; F82-L87 HydrophobicContact CE1-CD2 3.69Å; F82-L87 HydrophobicContact CE1-CG 4.45Å; F82-L87 HydrophobicContact CE2-CD2 4.02Å; F82-L87 HydrophobicContact CZ-CD2 3.53Å; F82-L87 WeakPolarHBondContact O-CD1 3.49Å
83L90.2Very high89.8Confident5 Ų562.5 Ų62.53%0.02633%0.329CS..  trans-75.875.9-177.4-69.2166000112L9 V23 V26 R27 L30 L44 V79 E81L9-L83 HydrophobicContact CD2-CD2 4.22Å; V23-L83 HydrophobicContact CG1-CB 4.24Å; V26-L83 HydrophobicContact CB-CD2 4.47Å; V26-L83 HydrophobicContact CG1-CD1 3.92Å; V26-L83 HydrophobicContact CG1-CD2 3.87Å; R27-L83 HydrophobicContact CB-CB 4.47Å; R27-L83 HydrophobicContact CB-CD1 4.31Å; L30-L83 HydrophobicContact CD1-CD1 3.81Å; L44-L83 HydrophobicContact CD2-CD2 4.32Å; V79-L83 WeakPolarHBondContact O-CG 3.45Å; V79-L83 PolarHBondContact O-N 3.39Å; E81-L83 VanDerWaalsContact C-N 3.31Å; E81-L83 PolarHBondContact O-N 3.11Å
84D86.1Confident89.6Confident72 Ų7261.4 Ų61.439%0.38532%0.317SS..  trans-106136.4177.2-162.2-51.1000110.6F82 E86 L87F82-D84 VanDerWaalsContact C-N 3.26Å; F82-D84 PolarHBondContact O-N 3.1Å; D84-E86 PolarHBondContact O-N 3.48Å; D84-E86 WeakPolarHBondContact OD1-CB 3.35Å; D84-E86 WeakPolarHBondContact OD1-CG 2.97Å; D84-E86 PolarHBondContact OD1-N 3.22Å; D84-L87 VanDerWaalsContact O-CB 3.28Å; D84-L87 WeakPolarHBondContact O-CB 3.25Å; D84-L87 VanDerWaalsContact O-CG 3.25Å; D84-L87 WeakPolarHBondContact O-CG 3.37Å; D84-L87 PolarHBondContact O-N 3.27Å
85P81.9Confident89.5Confident46 Ų4657.3 Ų57.330%0.29929%0.29SS..G310 helixtrans-53-17.3168.9-27.235.6000115.3F19 L87F19-P85 WeakPolarHBondContact CD1-O 3.29Å; F19-P85 WeakPolarHBondContact CE1-O 3.38Å; P85-L87 PolarHBondContact O-N 2.93Å
86E85.7Confident89.4Confident172 Ų17256.4 Ų56.480%0.80429%0.286SS*.G310 helixtrans-74.9-3.6173.7-66.2-173.6-18000114.4D84 L88D84-E86 PolarHBondContact O-N 3.48Å; D84-E86 WeakPolarHBondContact OD1-CB 3.35Å; D84-E86 WeakPolarHBondContact OD1-CG 2.97Å; D84-E86 PolarHBondContact OD1-N 3.22Å; E86-L88 PolarHBondContact O-N 3.33Å; E86-L88 VanDerWaalsContact O-N 3.12Å
87L88.6Confident89.3Confident40 Ų4055.6 Ų55.621%0.20928%0.278CS..G310 helixtrans-67.1-4.6177.5-77.3173.2000115.3F19 F82 D84 P85 S89F19-L87 HydrophobicContact CE1-CB 3.95Å; F19-L87 HydrophobicContact CZ-CB 3.68Å; F82-L87 HydrophobicContact CD1-CD1 4.03Å; F82-L87 HydrophobicContact CD1-CD2 4.3Å; F82-L87 HydrophobicContact CE1-CD1 3.86Å; F82-L87 HydrophobicContact CE1-CD2 3.69Å; F82-L87 HydrophobicContact CE1-CG 4.45Å; F82-L87 HydrophobicContact CE2-CD2 4.02Å; F82-L87 HydrophobicContact CZ-CD2 3.53Å; F82-L87 WeakPolarHBondContact O-CD1 3.49Å; D84-L87 VanDerWaalsContact O-CB 3.28Å; D84-L87 WeakPolarHBondContact O-CB 3.25Å; D84-L87 VanDerWaalsContact O-CG 3.25Å; D84-L87 WeakPolarHBondContact O-CG 3.37Å; D84-L87 PolarHBondContact O-N 3.27Å; P85-L87 PolarHBondContact O-N 2.93Å; L87-S89 PolarHBondContact O-N 2.93Å
88L90Very high89.3Confident58 Ų5850.5 Ų50.530%0.30426%0.259SS..  trans-64.9127.8-176.6-172.772.7000111.1G12 M15 N16 F19 E86G12-L88 WeakPolarHBondContact O-CD1 3.46Å; M15-L88 HydrophobicContact CB-CD1 4.23Å; N16-L88 HydrophobicContact CB-CD2 3.87Å; F19-L88 HydrophobicContact CB-CD1 3.98Å; F19-L88 HydrophobicContact CD1-CB 3.74Å; F19-L88 HydrophobicContact CD1-CD1 4.04Å; F19-L88 HydrophobicContact CD1-CG 4.42Å; F19-L88 HydrophobicContact CD2-CD1 3.93Å; F19-L88 HydrophobicContact CE1-CB 3.81Å; F19-L88 VanDerWaalsContact CE1-N 3.3Å; F19-L88 HydrophobicContact CE2-CD1 4.46Å; F19-L88 HydrophobicContact CG-CB 4.31Å; F19-L88 HydrophobicContact CG-CD1 3.7Å; F19-L88 HydrophobicContact CZ-CB 4.43Å; E86-L88 PolarHBondContact O-N 3.33Å; E86-L88 VanDerWaalsContact O-N 3.12Å
89S90.1Very high89.3Confident7 Ų743.5 Ų43.55%0.04923%0.228CC..  trans-101.3153.6-178.8167.20000111.4V11 I13 G48 D50 L87 S91V11-S89 WeakPolarHBondContact O-CB 3.46Å; V11-S89 PolarHBondContact O-N 3.49Å; I13-S89 WeakPolarHBondContact CA-O 3.49Å; I13-S89 PolarHBondContact N-O 3.22Å; G48-S89 WeakPolarHBondContact O-CB 3.47Å; G48-S89 PolarHBondContact O-OG 3.35Å; D50-S89 PolarHBondContact N-OG 3.42Å; D50-S89 PolarHBondContact OD1-OG 2.91Å; L87-S89 PolarHBondContact O-N 2.93Å; S89-S91 VanDerWaalsContact C-N 3.32Å; S89-S91 WeakPolarHBondContact OG-CB 3.28Å; S89-S91 PolarHBondContact OG-N 3.38Å; S89-S91 VanDerWaalsContact OG-N 3.08Å
90L89.7Confident89.2Confident139 Ų13944.4 Ų44.473%0.72823%0.232SC*.SBendtrans-83.3-13.6173.1-67.6175.4000112.5I13I13-L90 HydrophobicContact CD1-CD2 3.77Å; I13-L90 HydrophobicContact CG1-CD2 4.49Å
91S89.8Confident89.4Confident32 Ų3244.6 Ų44.622%0.22423%0.233CC..SBendtrans-79169.1178.5-60.70000112.1G12 I13 G48 D50 S89G12-S91 WeakPolarHBondContact CA-O 3.23Å; I13-S91 PolarHBondContact N-O 3.43Å; G48-S91 WeakPolarHBondContact O-CB 3.46Å; D50-S91 WeakPolarHBondContact OD1-CB 3.14Å; D50-S91 PolarHBondContact OD1-OG 3.22Å; S89-S91 VanDerWaalsContact C-N 3.32Å; S89-S91 WeakPolarHBondContact OG-CB 3.28Å; S89-S91 PolarHBondContact OG-N 3.38Å; S89-S91 VanDerWaalsContact OG-N 3.08Å
92T88.7Confident89.5Confident68 Ų6838.2 Ų38.242%0.41720%0.203SC..  trans-126.4142.217354.50000108.5I13 N65I13-T92 HydrophobicContact CG2-CG2 4.02Å; N65-T92 WeakPolarHBondContact CB-O 3.33Å; N65-T92 PolarHBondContact OD1-O 3.07Å
93G86.8Confident89.5Confident5 Ų535 Ų355%0.05219%0.189CC..  trans-127159.1175.800000110.1G48G48-G93 VanDerWaalsContact CA-N 3.29Å
94D89.7Confident89.6Confident22 Ų2237 Ų3712%0.11820%0.201CC..  trans-82.8126.5173.3-167.7-20.8000109.8C47 V96 D97 A98 D132C47-D94 VanDerWaalsContact SG-C 3.6Å; C47-D94 PolarHBondContact SG-O 2.96Å; C47-D94 VanDerWaalsContact SG-O 3.39Å; D94-V96 VanDerWaalsContact C-N 3.28Å; D94-V96 PolarHBondContact O-N 3.17Å; D94-V96 WeakPolarHBondContact OD1-CB 3.49Å; D94-V96 PolarHBondContact OD1-N 2.92Å; D94-D97 HydrophobicContact CB-CB 4.08Å; D94-A98 WeakPolarHBondContact O-CB 3.35Å; D94-A98 PolarHBondContact O-N 3.39Å; D94-A98 VanDerWaalsContact O-N 3.1Å; D94-D132 WeakPolarHBondContact OD2-CB 3.34Å; D94-D132 PolarHBondContact OD2-N 3.18Å
95V89.7Confident90Very high4 Ų434.3 Ų34.32%0.02419%0.186CC..Hα-helixtrans-68.2-29177.6-66.10000111.9A98 L99 L123 V131V95-A98 PolarHBondContact O-N 3.39Å; V95-L99 VanDerWaalsContact O-CG 3.25Å; V95-L99 WeakPolarHBondContact O-CG 3.47Å; V95-L99 PolarHBondContact O-N 3.09Å; V95-L123 HydrophobicContact CB-CD2 4.5Å; V95-V131 HydrophobicContact CG2-CG2 3.42Å; V95-V131 VanDerWaalsContact CG2-CG2 3.42Å
96V88.2Confident90.5Very high1 Ų132.1 Ų32.11%0.00617%0.171CC..Hα-helixtrans-67.8-48.3178.3-179.90000110.4D94 A98 L99 M100 V131 D135 V139 F193D94-V96 VanDerWaalsContact C-N 3.28Å; D94-V96 PolarHBondContact O-N 3.17Å; D94-V96 WeakPolarHBondContact OD1-CB 3.49Å; D94-V96 PolarHBondContact OD1-N 2.92Å; V96-A98 VanDerWaalsContact C-N 3.28Å; V96-A98 PolarHBondContact O-N 2.95Å; V96-L99 WeakPolarHBondContact O-CB 3.46Å; V96-L99 PolarHBondContact O-N 3.28Å; V96-L99 VanDerWaalsContact O-N 3.17Å; V96-M100 PolarHBondContact O-N 2.83Å; V96-V131 HydrophobicContact CG2-CB 4.46Å; V96-V131 HydrophobicContact CG2-CG1 3.34Å; V96-V131 HydrophobicContact CG2-CG2 4.37Å; V96-D135 HydrophobicContact CG1-CB 4.43Å; V96-V139 HydrophobicContact CG1-CG2 3.79Å; V96-F193 HydrophobicContact CB-CZ 4.23Å; V96-F193 HydrophobicContact CG1-CE2 4.05Å; V96-F193 HydrophobicContact CG1-CZ 3.91Å; V96-F193 HydrophobicContact CG2-CD1 3.95Å; V96-F193 HydrophobicContact CG2-CD2 4.2Å; V96-F193 HydrophobicContact CG2-CE1 3.55Å; V96-F193 HydrophobicContact CG2-CE2 3.73Å; V96-F193 HydrophobicContact CG2-CG 4.33Å; V96-F193 HydrophobicContact CG2-CZ 3.45Å; V96-F193 VanDerWaalsContact CG2-CZ 3.45Å
97D90.2Very high90.8Very high27 Ų2727.6 Ų27.614%0.14415%0.149CC..Hα-helixtrans-58.3-42.9173.3-810.5000111.1F63 I66 D94 L99 M100 V101F63-D97 WeakPolarHBondContact CA-OD2 3.48Å; F63-D97 HydrophobicContact CD1-CB 3.56Å; F63-D97 HydrophobicContact CE1-CB 4.05Å; F63-D97 HydrophobicContact CG-CB 4.4Å; F63-D97 PolarHBondContact N-OD2 3.19Å; F63-D97 VanDerWaalsContact N-OD2 3.09Å; I66-D97 HydrophobicContact CD1-CB 3.36Å; D94-D97 HydrophobicContact CB-CB 4.08Å; D97-L99 VanDerWaalsContact C-N 3.34Å; D97-L99 PolarHBondContact O-N 3.48Å; D97-M100 WeakPolarHBondContact O-CB 3.5Å; D97-M100 PolarHBondContact O-N 3.04Å; D97-V101 WeakPolarHBondContact O-CG2 3.1Å; D97-V101 PolarHBondContact O-N 3.38Å
98A92.6Very high90.9Very high0 Ų028.9 Ų28.90%016%0.156CC..Hα-helixtrans-65-37.1178.100000112.5V8 C47 I66 D94 V95 V96 V101 G102V8-A98 HydrophobicContact CG1-CB 3.64Å; C47-A98 HydrophobicContact CB-CB 3.71Å; I66-A98 HydrophobicContact CD1-CB 4.03Å; I66-A98 HydrophobicContact CG1-CB 4.13Å; I66-A98 HydrophobicContact CG2-CB 4.44Å; D94-A98 WeakPolarHBondContact O-CB 3.35Å; D94-A98 PolarHBondContact O-N 3.39Å; D94-A98 VanDerWaalsContact O-N 3.1Å; V95-A98 PolarHBondContact O-N 3.39Å; V96-A98 VanDerWaalsContact C-N 3.28Å; V96-A98 PolarHBondContact O-N 2.95Å; A98-V101 PolarHBondContact O-N 3.29Å; A98-G102 PolarHBondContact O-N 2.97Å
99L91.7Very high91Very high0 Ų031.1 Ų31.10%016%0.161CC..Hα-helixtrans-64.6-41.5173-72.4173.5000111.7V8 V95 V96 D97 G102 A103 L121 L123 F150 F193 L194 L197V8-L99 HydrophobicContact CG2-CD2 4.44Å; V95-L99 VanDerWaalsContact O-CG 3.25Å; V95-L99 WeakPolarHBondContact O-CG 3.47Å; V95-L99 PolarHBondContact O-N 3.09Å; V96-L99 WeakPolarHBondContact O-CB 3.46Å; V96-L99 PolarHBondContact O-N 3.28Å; V96-L99 VanDerWaalsContact O-N 3.17Å; D97-L99 VanDerWaalsContact C-N 3.34Å; D97-L99 PolarHBondContact O-N 3.48Å; L99-G102 PolarHBondContact O-N 2.77Å; L99-A103 VanDerWaalsContact O-CB 3.3Å; L99-A103 WeakPolarHBondContact O-CB 3.17Å; L99-A103 PolarHBondContact O-N 3.48Å; L99-L121 HydrophobicContact CB-CD2 4.4Å; L99-L121 HydrophobicContact CD2-CD2 3.63Å; L99-L121 HydrophobicContact CD2-CG 4.13Å; L99-L123 HydrophobicContact CD1-CD2 4.33Å; L99-L123 HydrophobicContact CD2-CB 4.21Å; L99-L123 HydrophobicContact CD2-CD2 4.42Å; L99-F150 HydrophobicContact CD1-CE2 4.29Å; L99-F150 HydrophobicContact CD1-CZ 4.5Å; L99-F150 HydrophobicContact CD2-CD2 4.29Å; L99-F150 HydrophobicContact CD2-CE2 3.63Å; L99-F193 HydrophobicContact CD1-CE1 4.36Å; L99-L194 HydrophobicContact CD1-CD2 4.19Å; L99-L197 HydrophobicContact CD1-CD2 4.32Å
100M90.3Very high91Very high28 Ų2831.3 Ų31.314%0.13816%0.162CC..Hα-helixtrans-63.4-44.9175.8-75.5-63.1-71.800112F63 V96 D97 G102 A103 D104 V139F63-M100 HydrophobicContact CE1-CB 3.84Å; V96-M100 PolarHBondContact O-N 2.83Å; D97-M100 WeakPolarHBondContact O-CB 3.5Å; D97-M100 PolarHBondContact O-N 3.04Å; M100-G102 VanDerWaalsContact C-N 3.34Å; M100-G102 PolarHBondContact O-N 2.98Å; M100-A103 PolarHBondContact O-N 3.38Å; M100-D104 WeakPolarHBondContact O-CB 3.48Å; M100-D104 PolarHBondContact O-N 3.03Å; M100-V139 HydrophobicContact CG-CG2 3.76Å; M100-V139 HydrophobicContact SD-CB 4.18Å; M100-V139 HydrophobicContact SD-CG2 3.62Å
101V93.5Very high90.8Very high7 Ų730.4 Ų30.44%0.04215%0.152CC..Hα-helixtrans-59.2-45.6174.1169.70000110.9I45 N54 L56 F63 I66 D97 A98 H105I45-V101 HydrophobicContact CG2-CG1 4.31Å; N54-V101 HydrophobicContact CB-CG1 3.78Å; N54-V101 HydrophobicContact CB-CG2 4.17Å; L56-V101 HydrophobicContact CB-CG2 4.37Å; L56-V101 HydrophobicContact CD1-CG2 4.03Å; L56-V101 HydrophobicContact CG-CG2 4.47Å; F63-V101 HydrophobicContact CB-CG2 4.35Å; F63-V101 HydrophobicContact CD1-CG2 3.78Å; F63-V101 HydrophobicContact CG-CG2 4.32Å; I66-V101 HydrophobicContact CG2-CB 4.19Å; I66-V101 HydrophobicContact CG2-CG1 4.07Å; I66-V101 HydrophobicContact CG2-CG2 4.1Å; D97-V101 WeakPolarHBondContact O-CG2 3.1Å; D97-V101 PolarHBondContact O-N 3.38Å; A98-V101 PolarHBondContact O-N 3.29Å; V101-H105 WeakPolarHBondContact O-CB 3.35Å; V101-H105 PolarHBondContact O-N 3.22Å
102G94Very high90.4Very high0 Ų036.2 Ų36.20%018%0.181CC..Hα-helixtrans-62.7-44.6176.900000112.9A98 L99 M100 L106A98-G102 PolarHBondContact O-N 2.97Å; L99-G102 PolarHBondContact O-N 2.77Å; M100-G102 VanDerWaalsContact C-N 3.34Å; M100-G102 PolarHBondContact O-N 2.98Å; G102-L106 WeakPolarHBondContact O-CB 3.39Å; G102-L106 VanDerWaalsContact O-CG 3.31Å; G102-L106 WeakPolarHBondContact O-CG 3.19Å; G102-L106 PolarHBondContact O-N 3.43Å
103A92.5Very high90.2Very high1 Ų136.1 Ų36.11%0.00817%0.174CC..Hα-helixtrans-64.5-46.2178.500000112.1L99 M100 L106 F107 L143 I148L99-A103 VanDerWaalsContact O-CB 3.3Å; L99-A103 WeakPolarHBondContact O-CB 3.17Å; L99-A103 PolarHBondContact O-N 3.48Å; M100-A103 PolarHBondContact O-N 3.38Å; A103-L106 PolarHBondContact O-N 3.38Å; A103-F107 VanDerWaalsContact O-CB 3.29Å; A103-F107 WeakPolarHBondContact O-CB 3.36Å; A103-F107 PolarHBondContact O-N 3.44Å; A103-L143 HydrophobicContact CB-CD2 3.82Å; A103-I148 HydrophobicContact CB-CD1 4.19Å
104D92.8Very high89.9Confident49 Ų4945.8 Ų45.826%0.26222%0.215SC..Hα-helixtrans-61.8-46.6177.1178.473000111.4L56 M100 L106 F107 N108L56-D104 HydrophobicContact CD1-CB 4.03Å; M100-D104 WeakPolarHBondContact O-CB 3.48Å; M100-D104 PolarHBondContact O-N 3.03Å; D104-L106 PolarHBondContact O-N 3.38Å; D104-F107 PolarHBondContact O-N 2.68Å; D104-N108 WeakPolarHBondContact O-CB 3.45Å; D104-N108 PolarHBondContact O-N 2.66Å; D104-N108 PolarHBondContact O-ND2 3.25Å; D104-N108 PolarHBondContact OD1-ND2 3.04Å; D104-N108 PolarHBondContact OD2-ND2 3.27Å
105H94.2Very high89.6Confident15 Ų1548.3 Ų48.37%0.06923%0.229CC..Hα-helixtrans-61.9-46.5178.7179.666.6000111.9L72 V101 F107 N108 R109L72-H105 PolarHBondContact N-NE2 3.48Å; L72-H105 VanDerWaalsContact N-NE2 3.16Å; V101-H105 WeakPolarHBondContact O-CB 3.35Å; V101-H105 PolarHBondContact O-N 3.22Å; H105-F107 PolarHBondContact O-N 3.05Å; H105-N108 PolarHBondContact O-N 3.17Å; H105-R109 VanDerWaalsContact O-CB 3.32Å; H105-R109 WeakPolarHBondContact O-CB 3.3Å; H105-R109 VanDerWaalsContact O-CG 3.26Å; H105-R109 WeakPolarHBondContact O-CG 3.44Å; H105-R109 PolarHBondContact O-N 3.14Å
106L92.8Very high89.3Confident0 Ų049.2 Ų49.20%023%0.233CC..Hα-helixtrans-60-46175.2-74.7179000111.2A4 L72 G102 A103 D104 C110 L121 I148A4-L106 HydrophobicContact CB-CD2 4.06Å; L72-L106 HydrophobicContact CD1-CD2 4Å; L72-L106 HydrophobicContact CD2-CD2 4.43Å; G102-L106 WeakPolarHBondContact O-CB 3.39Å; G102-L106 VanDerWaalsContact O-CG 3.31Å; G102-L106 WeakPolarHBondContact O-CG 3.19Å; G102-L106 PolarHBondContact O-N 3.43Å; A103-L106 PolarHBondContact O-N 3.38Å; D104-L106 PolarHBondContact O-N 3.38Å; L106-C110 WeakPolarHBondContact O-CB 3.45Å; L106-C110 PolarHBondContact O-N 3.32Å; L106-C110 PolarHBondContact O-SG 3.43Å; L106-L121 HydrophobicContact CD1-CB 4.34Å; L106-L121 HydrophobicContact CD1-CD1 4.15Å; L106-I148 HydrophobicContact CB-CD1 4.21Å; L106-I148 HydrophobicContact CD1-CD1 4.46Å; L106-I148 HydrophobicContact CD1-CG2 4.36Å
107F90.9Very high89Confident77 Ų7754.5 Ų54.534%0.33826%0.256SS..Hα-helixtrans-60.1-51.4178.8-178.5-116.2000111.4A103 D104 H105 C110 K111 S146A103-F107 VanDerWaalsContact O-CB 3.29Å; A103-F107 WeakPolarHBondContact O-CB 3.36Å; A103-F107 PolarHBondContact O-N 3.44Å; D104-F107 PolarHBondContact O-N 2.68Å; H105-F107 PolarHBondContact O-N 3.05Å; F107-C110 PolarHBondContact O-N 2.81Å; F107-K111 HydrophobicContact CE1-CD 4.43Å; F107-K111 VanDerWaalsContact CZ-CE 3.42Å; F107-K111 WeakPolarHBondContact O-CG 3.29Å; F107-K111 PolarHBondContact O-N 2.91Å; F107-K111 VanDerWaalsContact O-N 3.15Å; F107-S146 WeakPolarHBondContact CD2-OG 3.46Å
108N91.2Very high88.7Confident66 Ų6655 Ų5535%0.35326%0.257SS..Hα-helixtrans-65.7-42.6-176.7-73.4-32.5000112.9D104 H105 K111D104-N108 WeakPolarHBondContact O-CB 3.45Å; D104-N108 PolarHBondContact O-N 2.66Å; D104-N108 PolarHBondContact O-ND2 3.25Å; D104-N108 PolarHBondContact OD1-ND2 3.04Å; D104-N108 PolarHBondContact OD2-ND2 3.27Å; H105-N108 PolarHBondContact O-N 3.17Å; N108-K111 PolarHBondContact OD1-NZ 3.11Å
109R91.3Very high88.6Confident106 Ų10657 Ų5740%0.427%0.266SS..Hα-helixtrans-74.3-27.7179.1-63.7-63.3-179.3151.60.5113.2E71 L72 H105E71-R109 IonicContact OE1-CZ 3.5Å; E71-R109 IonicContact OE1-NH2 3.59Å; E71-R109 PolarHBondContact OE1-NH2 2.97Å; E71-R109 IonicContact OE2-CZ 3.91Å; E71-R109 IonicContact OE2-NH1 3.63Å; E71-R109 PolarHBondContact OE2-NH1 2.79Å; E71-R109 IonicContact OE2-NH2 3.83Å; E71-R109 PolarHBondContact OE2-NH2 3.09Å; L72-R109 HydrophobicContact CB-CB 4.19Å; L72-R109 HydrophobicContact CB-CG 4.32Å; L72-R109 HydrophobicContact CD2-CB 3.81Å; H105-R109 VanDerWaalsContact O-CB 3.32Å; H105-R109 WeakPolarHBondContact O-CB 3.3Å; H105-R109 VanDerWaalsContact O-CG 3.26Å; H105-R109 WeakPolarHBondContact O-CG 3.44Å; H105-R109 PolarHBondContact O-N 3.14Å
110C90.8Very high88.5Confident11 Ų1157.6 Ų57.67%0.07427%0.269CS..Hα-helixtrans-85.9-18.3179.8-63.60000114.4L106 F107 N112 K113 I116 K119L106-C110 WeakPolarHBondContact O-CB 3.45Å; L106-C110 PolarHBondContact O-N 3.32Å; L106-C110 PolarHBondContact O-SG 3.43Å; F107-C110 PolarHBondContact O-N 2.81Å; C110-N112 PolarHBondContact O-N 3.3Å; C110-K113 PolarHBondContact O-N 2.92Å; C110-I116 HydrophobicContact CB-CD1 4.23Å; C110-I116 VanDerWaalsContact SG-CD1 3.5Å; C110-K119 HydrophobicContact CB-CD 4.31Å
111K85Confident88.6Confident119 Ų11956.2 Ų56.252%0.51726%0.262SS..THydrogen-bonded Turntrans-47.3-39.1-177.1-88.5167.5-172.2169.60114.4F107 N108F107-K111 HydrophobicContact CE1-CD 4.43Å; F107-K111 VanDerWaalsContact CZ-CE 3.42Å; F107-K111 WeakPolarHBondContact O-CG 3.29Å; F107-K111 PolarHBondContact O-N 2.91Å; F107-K111 VanDerWaalsContact O-N 3.15Å; N108-K111 PolarHBondContact OD1-NZ 3.11Å
112N81.2Confident88.5Confident155 Ų15556 Ų5683%0.82926%0.261SS*.THydrogen-bonded Turntrans-105.71.3-175.2-64.6-34.5000114.1C110C110-N112 PolarHBondContact O-N 3.3Å
113K85Confident88.4Confident66 Ų6656 Ų5629%0.28726%0.261SS..  trans-10098.4-172.9-76.4-169.1-179-168.20111.5E41 C110 N115 I116E41-K113 IonicContact OE1-NZ 2.55Å; E41-K113 PolarHBondContact OE1-NZ 2.69Å; E41-K113 IonicContact OE2-NZ 3.21Å; E41-K113 PolarHBondContact OE2-NZ 3.32Å; C110-K113 PolarHBondContact O-N 2.92Å; K113-N115 WeakPolarHBondContact CB-OD1 3.27Å; K113-N115 PolarHBondContact O-N 2.87Å; K113-I116 HydrophobicContact CB-CD1 3.61Å; K113-I116 HydrophobicContact CB-CG1 4.05Å; K113-I116 HydrophobicContact CD-CD1 3.48Å; K113-I116 VanDerWaalsContact CD-CD1 3.48Å; K113-I116 HydrophobicContact CD-CG1 4.39Å; K113-I116 HydrophobicContact CG-CD1 4.17Å; K113-I116 PolarHBondContact O-N 3.5Å
114K80.2Confident88.4Confident207 Ų20756 Ų5690%0.926%0.26SS*.THydrogen-bonded Turntrans-69.5-15.1178.1-65.1-175.5179.9179.90114.4
115N83Confident88.4Confident76 Ų7653.6 Ų53.641%0.40625%0.248SC..THydrogen-bonded Turntrans-82-13.9-178.859.7-40.3000113.4A2 K113A2-N115 PolarHBondContact N-O 3.15Å; K113-N115 WeakPolarHBondContact CB-OD1 3.27Å; K113-N115 PolarHBondContact O-N 2.87Å
116I83.6Confident88.1Confident23 Ų2353 Ų5312%0.11825%0.245CC..EExtended strand (participates in β ladder)trans-88.9118.4-178.8-62.7172.2000108.8A2 A4 L72 C110 K113 E118 K119A2-I116 HydrophobicContact CB-CG1 4.49Å; A2-I116 WeakPolarHBondContact O-CA 3.38Å; A4-I116 HydrophobicContact CB-CD1 4.07Å; A4-I116 HydrophobicContact CB-CG2 3.76Å; L72-I116 HydrophobicContact CD2-CD1 4.29Å; C110-I116 HydrophobicContact CB-CD1 4.23Å; C110-I116 VanDerWaalsContact SG-CD1 3.5Å; K113-I116 HydrophobicContact CB-CD1 3.61Å; K113-I116 HydrophobicContact CB-CG1 4.05Å; K113-I116 HydrophobicContact CD-CD1 3.48Å; K113-I116 VanDerWaalsContact CD-CD1 3.48Å; K113-I116 HydrophobicContact CD-CG1 4.39Å; K113-I116 HydrophobicContact CG-CD1 4.17Å; K113-I116 PolarHBondContact O-N 3.5Å; I116-E118 WeakPolarHBondContact CG2-O 3.36Å; I116-K119 HydrophobicContact CG2-CG 4.4Å
117K82.1Confident88Confident112 Ų11253 Ų5349%0.48725%0.245SC..EExtended strand (participates in β ladder)trans-90.7-33.7-179.9-173.2-176.2169.6-130.60112.1M1 A2 L224M1-K117 HydrophobicContact CB-CB 3.81Å; M1-K117 HydrophobicContact CG-CB 4.45Å; M1-K117 HydrophobicContact SD-CB 3.74Å; M1-K117 HydrophobicContact SD-CD 3.95Å; M1-K117 HydrophobicContact SD-CG 3.88Å; A2-K117 PolarHBondContact O-N 3.12Å; K117-L224 HydrophobicContact CD-CD1 4.27Å
118E85.4Confident87.7Confident37 Ų3753 Ų5317%0.17324%0.243CC..EExtended strand (participates in β ladder)trans-145.8144.2-166.3-177.1168.3-171.800109.2T3 A4 I116 K149T3-E118 WeakPolarHBondContact CA-O 3.43Å; T3-E118 HydrophobicContact CG2-CB 4.26Å; T3-E118 HydrophobicContact CG2-CG 4.37Å; A4-E118 PolarHBondContact N-O 2.7Å; I116-E118 WeakPolarHBondContact CG2-O 3.36Å; E118-K149 WeakPolarHBondContact OE1-CD 3.36Å; E118-K149 WeakPolarHBondContact OE1-CE 3.25Å; E118-K149 IonicContact OE1-NZ 3.81Å; E118-K149 PolarHBondContact OE1-NZ 3.41Å
119K89.8Confident87.3Confident41 Ų4150.2 Ų50.218%0.17823%0.229CC..EExtended strand (participates in β ladder)trans-120.7132.9177.5-54.8173.2-162.4162.30107.8A4 C110 I116 S146 I148 K149A4-K119 WeakPolarHBondContact O-CA 3.49Å; C110-K119 HydrophobicContact CB-CD 4.31Å; I116-K119 HydrophobicContact CG2-CG 4.4Å; K119-S146 PolarHBondContact NZ-O 3.11Å; K119-I148 HydrophobicContact CB-CB 4.42Å; K119-I148 HydrophobicContact CB-CG1 3.83Å; K119-I148 HydrophobicContact CD-CG1 3.92Å; K119-K149 PolarHBondContact O-N 3.35Å
120H89.3Confident86.5Confident13 Ų1348.9 Ų48.96%0.0624%0.236CC..EExtended strand (participates in β ladder)trans-136.6128.5-177.1-167.6175.3000108.8T3 A4 L5 G6 K149 S151T3-H120 HydrophobicContact CG2-CB 4.47Å; A4-H120 PolarHBondContact O-N 3.05Å; L5-H120 CarbonylContact C-O 3.59Å; L5-H120 WeakPolarHBondContact CA-O 3.46Å; L5-H120 HydrophobicContact CD1-CB 4.1Å; G6-H120 PolarHBondContact N-O 3.02Å; H120-K149 WeakPolarHBondContact CA-O 3.3Å; H120-K149 PolarHBondContact CD2-O 2.87Å; H120-S151 PolarHBondContact CE1-OG 2.91Å; H120-S151 WeakPolarHBondContact NE2-CB 3.49Å; H120-S151 PolarHBondContact NE2-OG 3.04Å
121L91.6Very high85.9Confident0 Ų049.6 Ų49.60%024%0.24CC..EExtended strand (participates in β ladder)trans-108.6122.1172.6-170.165.2000108.9G6 V8 L99 L106 L143 I148 K149 F150 S151G6-L121 WeakPolarHBondContact O-CA 3.19Å; V8-L121 HydrophobicContact CG2-CD1 3.93Å; L99-L121 HydrophobicContact CB-CD2 4.4Å; L99-L121 HydrophobicContact CD2-CD2 3.63Å; L99-L121 HydrophobicContact CD2-CG 4.13Å; L106-L121 HydrophobicContact CD1-CB 4.34Å; L106-L121 HydrophobicContact CD1-CD1 4.15Å; L121-L143 HydrophobicContact CD2-CD2 3.93Å; L121-I148 HydrophobicContact CB-CG2 3.7Å; L121-K149 PolarHBondContact N-O 3.04Å; L121-F150 WeakPolarHBondContact O-CA 3.4Å; L121-S151 PolarHBondContact O-N 3.4Å
122L91.3Very high85.5Confident2 Ų248.2 Ų48.21%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-112.2118.2-179.217765.1000109.2L5 G6 V8 L29 V124 S151 I153 F218L5-L122 HydrophobicContact CD1-CB 4.17Å; G6-L122 PolarHBondContact O-N 3.45Å; V8-L122 PolarHBondContact N-O 3.02Å; L29-L122 HydrophobicContact CD2-CD2 3.5Å; L122-V124 HydrophobicContact CD2-CG2 4.28Å; L122-V124 HydrophobicContact CG-CG2 4.09Å; L122-S151 WeakPolarHBondContact CA-O 3.35Å; L122-I153 HydrophobicContact CD1-CD1 3.78Å; L122-I153 HydrophobicContact CD1-CG1 3.96Å; L122-I153 HydrophobicContact CD2-CD1 4.09Å; L122-I153 HydrophobicContact CG-CD1 4.38Å; L122-F218 HydrophobicContact CD1-CE1 4.25Å
123L93Very high84.9Confident0 Ų044.5 Ų44.50%022%0.219CC..EExtended strand (participates in β ladder)trans-95.6130.517217859.1000110.2V8 V95 L99 L127 F150 S151 L152 I153 L194V8-L123 HydrophobicContact CB-CD1 3.93Å; V8-L123 HydrophobicContact CG1-CD1 3.68Å; V95-L123 HydrophobicContact CB-CD2 4.5Å; L99-L123 HydrophobicContact CD1-CD2 4.33Å; L99-L123 HydrophobicContact CD2-CB 4.21Å; L99-L123 HydrophobicContact CD2-CD2 4.42Å; L123-L127 HydrophobicContact CD2-CD2 4.42Å; L123-F150 HydrophobicContact CB-CE2 3.9Å; L123-F150 HydrophobicContact CB-CZ 4.17Å; L123-F150 HydrophobicContact CD2-CZ 4.33Å; L123-S151 PolarHBondContact N-O 3.01Å; L123-L152 HydrophobicContact CB-CD1 4.14Å; L123-L152 HydrophobicContact CD2-CD1 3.89Å; L123-L152 HydrophobicContact CG-CD1 3.87Å; L123-L152 CarbonylContact O-C 3.56Å; L123-L152 WeakPolarHBondContact O-CA 3.39Å; L123-I153 PolarHBondContact O-N 3.46Å; L123-L194 HydrophobicContact CD2-CD1 3.96Å; L123-L194 HydrophobicContact CD2-CD2 4.28Å
124V92.7Very high84.2Confident0 Ų045.4 Ų45.40%023%0.233CC..EExtended strand (participates in β ladder)trans-121.198.5176-1720000108.4V7 V8 L9 D10 A22 V26 L122 I153 F208V7-V124 HydrophobicContact CG1-CG2 4.45Å; V8-V124 PolarHBondContact O-N 3.26Å; L9-V124 HydrophobicContact CD1-CB 4.13Å; L9-V124 HydrophobicContact CD1-CG1 4.08Å; D10-V124 VanDerWaalsContact CB-O 3.32Å; D10-V124 WeakPolarHBondContact CB-O 3.46Å; D10-V124 PolarHBondContact N-O 2.79Å; A22-V124 HydrophobicContact CB-CG1 3.77Å; V26-V124 HydrophobicContact CG2-CB 4.33Å; V26-V124 HydrophobicContact CG2-CG1 4.28Å; V26-V124 HydrophobicContact CG2-CG2 3.74Å; L122-V124 HydrophobicContact CD2-CG2 4.28Å; L122-V124 HydrophobicContact CG-CG2 4.09Å; V124-I153 WeakPolarHBondContact CA-O 3.22Å; V124-I153 HydrophobicContact CG1-CB 4.42Å; V124-I153 HydrophobicContact CG1-CG2 4.28Å; V124-I153 HydrophobicContact CG2-CB 4.31Å; V124-F208 HydrophobicContact CG1-CE1 3.81Å
125S91.9Very high83.7Confident0 Ų037.4 Ų37.40%020%0.201CC..  trans-157.7147.7-175.91790000111.3D10 L127 I153 G154D10-S125 WeakPolarHBondContact OD2-CB 3.49Å; D10-S125 PolarHBondContact OD2-OG 3.07Å; S125-L127 VanDerWaalsContact C-N 3.27Å; S125-L127 PolarHBondContact OG-N 2.95Å; S125-L127 VanDerWaalsContact OG-N 3.08Å; S125-I153 PolarHBondContact N-O 2.67Å; S125-G154 WeakPolarHBondContact O-CA 3.32Å
126N89.2Confident83.1Confident1 Ų134.6 Ų34.61%0.00519%0.186CC..  trans-85.30.9172.370.98.9000113.4H14 M15 N18 Y128 R188 F208H14-N126 PolarHBondContact CD2-OD1 3.24Å; H14-N126 PolarHBondContact O-ND2 3.4Å; M15-N126 HydrophobicContact SD-CB 3.78Å; M15-N126 PolarHBondContact SD-N 3.14Å; M15-N126 PolarHBondContact SD-OD1 2.95Å; N18-N126 PolarHBondContact OD1-ND2 2.89Å; N126-Y128 VanDerWaalsContact C-N 3.26Å; N126-Y128 HydrophobicContact CB-CD2 4.06Å; N126-Y128 HydrophobicContact CB-CE2 4.35Å; N126-Y128 VanDerWaalsContact CG-CD2 3.45Å; N126-Y128 PolarHBondContact O-N 3.37Å; N126-Y128 WeakPolarHBondContact OD1-CD2 3.33Å; N126-Y128 PolarHBondContact OD1-N 3.31Å; N126-R188 PolarHBondContact O-NE 3.11Å; N126-F208 HydrophobicContact CB-CE2 3.95Å; N126-F208 HydrophobicContact CB-CZ 4.4Å
127L88.8Confident82.7Confident1 Ų137.1 Ų37.11%0.00521%0.206CC..SBendtrans64.419.3171.7-56.5-171.5000115.8L123 S125 L152 C155 R188 S190 I191 L194L123-L127 HydrophobicContact CD2-CD2 4.42Å; S125-L127 VanDerWaalsContact C-N 3.27Å; S125-L127 PolarHBondContact OG-N 2.95Å; S125-L127 VanDerWaalsContact OG-N 3.08Å; L127-L152 HydrophobicContact CD1-CD2 3.98Å; L127-L152 HydrophobicContact CD2-CD1 4.22Å; L127-C155 HydrophobicContact CD1-CB 3.77Å; L127-C155 HydrophobicContact CG-CB 4.28Å; L127-R188 HydrophobicContact CB-CB 4.49Å; L127-R188 WeakPolarHBondContact O-CB 3.25Å; L127-S190 VanDerWaalsContact CB-OG 3.3Å; L127-S190 WeakPolarHBondContact CB-OG 3.44Å; L127-S190 PolarHBondContact O-OG 3.16Å; L127-I191 HydrophobicContact CD1-CG1 4.47Å; L127-L194 HydrophobicContact CD1-CD1 3.54Å; L127-L194 HydrophobicContact CD2-CD1 3.25Å; L127-L194 HydrophobicContact CG-CD1 4.02Å
128Y85.6Confident82.7Confident78 Ų7838.8 Ų38.831%0.30621%0.209SC..  trans-86.3-6.1174.7-70.5-63.8000114.2N126 K186 R188N126-Y128 VanDerWaalsContact C-N 3.26Å; N126-Y128 HydrophobicContact CB-CD2 4.06Å; N126-Y128 HydrophobicContact CB-CE2 4.35Å; N126-Y128 VanDerWaalsContact CG-CD2 3.45Å; N126-Y128 PolarHBondContact O-N 3.37Å; N126-Y128 WeakPolarHBondContact OD1-CD2 3.33Å; N126-Y128 PolarHBondContact OD1-N 3.31Å; Y128-K186 HydrophobicContact CD1-CB 3.96Å; Y128-K186 HydrophobicContact CE1-CB 3.87Å; Y128-K186 WeakPolarHBondContact CE1-O 3.29Å; Y128-R188 HydrophobicContact CD1-CG 3.55Å; Y128-R188 HydrophobicContact CE1-CG 3.36Å; Y128-R188 HydrophobicContact CG-CG 4.31Å; Y128-R188 VanDerWaalsContact CZ-NE 3.33Å; Y128-R188 PolarHBondContact OH-NE 3.01Å; Y128-R188 PolarHBondContact OH-NH2 3.45Å; Y128-R188 VanDerWaalsContact OH-NH2 3.11Å
129G82Confident82.6Confident6 Ų637.1 Ų37.16%0.06220%0.201CC..SBendtrans-66.3160.5175.600000112.8H14H14-G129 PolarHBondContact CD2-N 3.03Å
130S74.7Confident82.1Confident78 Ų7835.3 Ų35.355%0.54519%0.194SC..  trans-69.6144.6168.251.90000110.3
131V78.5Confident81.9Confident26 Ų2640.9 Ų40.916%0.15822%0.22CC..  trans-131.7137.3175.6166.50000109.9V95 V96 D133 S190V95-V131 HydrophobicContact CG2-CG2 3.42Å; V95-V131 VanDerWaalsContact CG2-CG2 3.42Å; V96-V131 HydrophobicContact CG2-CB 4.46Å; V96-V131 HydrophobicContact CG2-CG1 3.34Å; V96-V131 HydrophobicContact CG2-CG2 4.37Å; V131-D133 VanDerWaalsContact CG1-OD1 3.27Å; V131-D133 WeakPolarHBondContact CG1-OD1 3.35Å; V131-S190 VanDerWaalsContact CG2-CB 3.42Å
132D76.6Confident81.5Confident90 Ų9042.3 Ų42.348%0.48123%0.23SC..  trans-85.9103.1162.4-167.5-14.2000109.9D94 S134D94-D132 WeakPolarHBondContact OD2-CB 3.34Å; D94-D132 PolarHBondContact OD2-N 3.18Å; D132-S134 PolarHBondContact O-N 2.84Å; D132-S134 VanDerWaalsContact O-N 3.17Å; D132-S134 WeakPolarHBondContact OD1-CB 3.42Å; D132-S134 PolarHBondContact OD1-N 3.09Å; D132-S134 PolarHBondContact OD1-OG 3.22Å; D132-S134 PolarHBondContact OD2-OG 3.44Å
133D68.3Low81.2Confident77 Ų7742.2 Ų42.241%0.41223%0.23SC..G310 helixtrans-730.7-179.5-67.3-27.3000113.1V131 D135 V136V131-D133 VanDerWaalsContact CG1-OD1 3.27Å; V131-D133 WeakPolarHBondContact CG1-OD1 3.35Å; D133-D135 VanDerWaalsContact C-N 3.26Å; D133-D135 PolarHBondContact O-N 2.73Å; D133-V136 WeakPolarHBondContact O-CG2 3.32Å
134S70.6Confident80.9Confident85 Ų8547.4 Ų47.459%0.59425%0.254SS*.G310 helixtrans-69.4-18.5-173.861.30000114.8D132D132-S134 PolarHBondContact O-N 2.84Å; D132-S134 VanDerWaalsContact O-N 3.17Å; D132-S134 WeakPolarHBondContact OD1-CB 3.42Å; D132-S134 PolarHBondContact OD1-N 3.09Å; D132-S134 PolarHBondContact OD1-OG 3.22Å; D132-S134 PolarHBondContact OD2-OG 3.44Å
135D70Confident80.5Confident39 Ų3952.2 Ų52.221%0.20929%0.287CS..G310 helixtrans-110.613.3-170.3-86.2-25.3000115.9V96 D133 S137 R138 V139V96-D135 HydrophobicContact CG1-CB 4.43Å; D133-D135 VanDerWaalsContact C-N 3.26Å; D133-D135 PolarHBondContact O-N 2.73Å; D135-S137 PolarHBondContact O-N 3.44Å; D135-R138 WeakPolarHBondContact O-CB 3.4Å; D135-R138 PolarHBondContact O-N 3.33Å; D135-R138 WeakPolarHBondContact OD1-CD 3.49Å; D135-R138 IonicContact OD1-CZ 3.79Å; D135-R138 IonicContact OD1-NE 3.14Å; D135-R138 IonicContact OD1-NH1 3.97Å; D135-R138 PolarHBondContact OD1-NH1 3.3Å; D135-R138 VanDerWaalsContact OD1-NH1 3.14Å; D135-R138 IonicContact OD2-NH1 3.47Å; D135-V139 PolarHBondContact O-N 3.14Å; D135-V139 VanDerWaalsContact O-N 3.17Å
136V70Confident80.1Confident17 Ų1752.8 Ų52.810%0.10329%0.291CS..Hα-helixtrans-51.8-50.5-176.2-162.40000114D133 R138 V139 S140 F193D133-V136 WeakPolarHBondContact O-CG2 3.32Å; V136-R138 PolarHBondContact O-N 3.38Å; V136-V139 PolarHBondContact O-N 2.66Å; V136-S140 PolarHBondContact O-N 3.28Å; V136-F193 HydrophobicContact CB-CD2 3.87Å; V136-F193 HydrophobicContact CB-CE2 3.77Å; V136-F193 HydrophobicContact CG1-CD2 3.7Å; V136-F193 HydrophobicContact CG1-CE2 3.67Å; V136-F193 HydrophobicContact CG2-CD2 3.31Å; V136-F193 HydrophobicContact CG2-CE2 3.64Å
137S76.3Confident79.9Confident77 Ų7755.3 Ų55.354%0.53832%0.318SS..Hα-helixtrans-62.2-33.9-176.7-50.90000111.2D135 E141D135-S137 PolarHBondContact O-N 3.44Å; S137-E141 WeakPolarHBondContact O-CB 3.22Å; S137-E141 VanDerWaalsContact O-CG 3.23Å; S137-E141 WeakPolarHBondContact O-CG 3.43Å; S137-E141 PolarHBondContact O-N 2.94Å
138R81.1Confident79.9Confident147 Ų14755.6 Ų55.656%0.55532%0.32SS*.Hα-helixtrans-72.2-38.8-179.8-61.3174.775-175.3-0.7111.7D135 V136 S142D135-R138 WeakPolarHBondContact O-CB 3.4Å; D135-R138 PolarHBondContact O-N 3.33Å; D135-R138 WeakPolarHBondContact OD1-CD 3.49Å; D135-R138 IonicContact OD1-CZ 3.79Å; D135-R138 IonicContact OD1-NE 3.14Å; D135-R138 IonicContact OD1-NH1 3.97Å; D135-R138 PolarHBondContact OD1-NH1 3.3Å; D135-R138 VanDerWaalsContact OD1-NH1 3.14Å; D135-R138 IonicContact OD2-NH1 3.47Å; V136-R138 PolarHBondContact O-N 3.38Å; R138-S142 WeakPolarHBondContact O-CB 3.42Å; R138-S142 PolarHBondContact O-N 3.26Å
139V82.5Confident80Confident1 Ų157.5 Ų57.51%0.00633%0.329CS..Hα-helixtrans-63.1-48.9175.1-179.10000110.3V96 M100 D135 V136 S142 L143 F193 L197V96-V139 HydrophobicContact CG1-CG2 3.79Å; M100-V139 HydrophobicContact CG-CG2 3.76Å; M100-V139 HydrophobicContact SD-CB 4.18Å; M100-V139 HydrophobicContact SD-CG2 3.62Å; D135-V139 PolarHBondContact O-N 3.14Å; D135-V139 VanDerWaalsContact O-N 3.17Å; V136-V139 PolarHBondContact O-N 2.66Å; V139-S142 PolarHBondContact O-N 2.89Å; V139-L143 HydrophobicContact CG1-CD1 3.76Å; V139-L143 HydrophobicContact CG1-CG 4.31Å; V139-L143 WeakPolarHBondContact O-CB 3.22Å; V139-L143 VanDerWaalsContact O-CG 3.32Å; V139-L143 WeakPolarHBondContact O-CG 3.34Å; V139-L143 PolarHBondContact O-N 3.16Å; V139-F193 HydrophobicContact CG2-CZ 4.35Å; V139-L197 HydrophobicContact CG1-CD1 4.22Å; V139-L197 HydrophobicContact CG1-CD2 4.05Å
140S81.1Confident80.2Confident4 Ų457.4 Ų57.43%0.02833%0.327CS..Hα-helixtrans-60.7-48.9179.6-173.50000111.7V136 S142 L143 Q144 Q200V136-S140 PolarHBondContact O-N 3.28Å; S140-S142 VanDerWaalsContact C-N 3.33Å; S140-S142 PolarHBondContact O-N 2.86Å; S140-L143 PolarHBondContact O-N 3.35Å; S140-Q144 WeakPolarHBondContact O-CB 3.48Å; S140-Q144 VanDerWaalsContact O-CG 3.3Å; S140-Q144 WeakPolarHBondContact O-CG 3.36Å; S140-Q144 PolarHBondContact O-N 2.95Å; S140-Q200 PolarHBondContact OG-OE1 3.32Å
141E83.6Confident80.9Confident130 Ų13053.9 Ų53.961%0.60730%0.303SS*.Hα-helixtrans-60.6-41.2176.2-74.9176.6-169.800112.1S137 S145S137-E141 WeakPolarHBondContact O-CB 3.22Å; S137-E141 VanDerWaalsContact O-CG 3.23Å; S137-E141 WeakPolarHBondContact O-CG 3.43Å; S137-E141 PolarHBondContact O-N 2.94Å; E141-S145 WeakPolarHBondContact O-CB 3.28Å; E141-S145 PolarHBondContact O-N 3.44Å; E141-S145 PolarHBondContact O-OG 3.34Å
142S84.1Confident81.4Confident30 Ų3052.7 Ų52.721%0.2130%0.295CS..Hα-helixtrans-63.4-46.4177.9-178.90000111.9R138 V139 S140 S145 S146R138-S142 WeakPolarHBondContact O-CB 3.42Å; R138-S142 PolarHBondContact O-N 3.26Å; V139-S142 PolarHBondContact O-N 2.89Å; S140-S142 VanDerWaalsContact C-N 3.33Å; S140-S142 PolarHBondContact O-N 2.86Å; S142-S145 PolarHBondContact O-OG 2.97Å; S142-S146 WeakPolarHBondContact O-CB 3.44Å; S142-S146 PolarHBondContact O-N 2.94Å; S142-S146 PolarHBondContact O-OG 3.46Å
143L85.7Confident81.9Confident0 Ų048.5 Ų48.50%027%0.273CS..Hα-helixtrans-67.9-45.2-179.8-69.9174.1000111.6A103 L121 V139 S140 S146 G147 I148 L197 L201A103-L143 HydrophobicContact CB-CD2 3.82Å; L121-L143 HydrophobicContact CD2-CD2 3.93Å; V139-L143 HydrophobicContact CG1-CD1 3.76Å; V139-L143 HydrophobicContact CG1-CG 4.31Å; V139-L143 WeakPolarHBondContact O-CB 3.22Å; V139-L143 VanDerWaalsContact O-CG 3.32Å; V139-L143 WeakPolarHBondContact O-CG 3.34Å; V139-L143 PolarHBondContact O-N 3.16Å; S140-L143 PolarHBondContact O-N 3.35Å; L143-S146 PolarHBondContact O-N 3.46Å; L143-G147 PolarHBondContact O-N 3.4Å; L143-G147 VanDerWaalsContact O-N 3.1Å; L143-I148 HydrophobicContact CD2-CB 3.82Å; L143-I148 HydrophobicContact CD2-CD1 4.13Å; L143-I148 HydrophobicContact CD2-CG2 3.7Å; L143-I148 PolarHBondContact O-N 2.84Å; L143-L197 HydrophobicContact CD1-CD1 4.35Å; L143-L197 HydrophobicContact CD1-CD2 4.36Å; L143-L201 HydrophobicContact CB-CD1 4.07Å; L143-L201 HydrophobicContact CB-CD2 4.23Å; L143-L201 HydrophobicContact CD1-CD1 3.55Å; L143-L201 HydrophobicContact CG-CD1 4.46Å
144Q85.6Confident82.8Confident109 Ų10945 Ų4551%0.50926%0.256SS..Hα-helixtrans-64-50.1178.1-71.1-177.53.800111.9S140 S146 G147 Q200 L201S140-Q144 WeakPolarHBondContact O-CB 3.48Å; S140-Q144 VanDerWaalsContact O-CG 3.3Å; S140-Q144 WeakPolarHBondContact O-CG 3.36Å; S140-Q144 PolarHBondContact O-N 2.95Å; Q144-S146 PolarHBondContact O-N 2.99Å; Q144-G147 PolarHBondContact O-N 3.31Å; Q144-G147 VanDerWaalsContact O-N 3.08Å; Q144-Q200 PolarHBondContact NE2-O 2.86Å; Q144-L201 HydrophobicContact CG-CD2 3.46Å; Q144-L201 VanDerWaalsContact CG-CD2 3.46Å
145S84.8Confident83.4Confident100 Ų10041 Ų4170%0.69923%0.227SC*.Hα-helixtrans-63.4-29.6179.962.80000112.6E141 S142E141-S145 WeakPolarHBondContact O-CB 3.28Å; E141-S145 PolarHBondContact O-N 3.44Å; E141-S145 PolarHBondContact O-OG 3.34Å; S142-S145 PolarHBondContact O-OG 2.97Å
146S83.7Confident84Confident12 Ų1240.1 Ų40.18%0.08422%0.223CC..Hα-helixtrans-84.6-9.8177.4-64.30000114.2F107 K119 S142 L143 Q144 I148F107-S146 WeakPolarHBondContact CD2-OG 3.46Å; K119-S146 PolarHBondContact NZ-O 3.11Å; S142-S146 WeakPolarHBondContact O-CB 3.44Å; S142-S146 PolarHBondContact O-N 2.94Å; S142-S146 PolarHBondContact O-OG 3.46Å; L143-S146 PolarHBondContact O-N 3.46Å; Q144-S146 PolarHBondContact O-N 2.99Å; S146-I148 VanDerWaalsContact C-N 3.33Å
147G85.6Confident84.4Confident55 Ų5539.3 Ų39.357%0.56722%0.218SC*.THydrogen-bonded Turntrans6336.8-174.500000112.8L143 Q144L143-G147 PolarHBondContact O-N 3.4Å; L143-G147 VanDerWaalsContact O-N 3.1Å; Q144-G147 PolarHBondContact O-N 3.31Å; Q144-G147 VanDerWaalsContact O-N 3.08Å
148I87.8Confident84.3Confident7 Ų741.7 Ų41.74%0.03622%0.218CC..EExtended strand (participates in β ladder)trans-93.8123.7-178.7-61.9170.5000108.7A103 L106 K119 L121 L143 S146A103-I148 HydrophobicContact CB-CD1 4.19Å; L106-I148 HydrophobicContact CB-CD1 4.21Å; L106-I148 HydrophobicContact CD1-CD1 4.46Å; L106-I148 HydrophobicContact CD1-CG2 4.36Å; K119-I148 HydrophobicContact CB-CB 4.42Å; K119-I148 HydrophobicContact CB-CG1 3.83Å; K119-I148 HydrophobicContact CD-CG1 3.92Å; L121-I148 HydrophobicContact CB-CG2 3.7Å; L143-I148 HydrophobicContact CD2-CB 3.82Å; L143-I148 HydrophobicContact CD2-CD1 4.13Å; L143-I148 HydrophobicContact CD2-CG2 3.7Å; L143-I148 PolarHBondContact O-N 2.84Å; S146-I148 VanDerWaalsContact C-N 3.33Å
149K87.5Confident83.8Confident117 Ų11739.8 Ų39.851%0.50921%0.214SC..EExtended strand (participates in β ladder)trans-75.4148.9169.8-67.9-171.1179.3174.70110.6E118 K119 H120 L121E118-K149 WeakPolarHBondContact OE1-CD 3.36Å; E118-K149 WeakPolarHBondContact OE1-CE 3.25Å; E118-K149 IonicContact OE1-NZ 3.81Å; E118-K149 PolarHBondContact OE1-NZ 3.41Å; K119-K149 PolarHBondContact O-N 3.35Å; H120-K149 WeakPolarHBondContact CA-O 3.3Å; H120-K149 PolarHBondContact CD2-O 2.87Å; L121-K149 PolarHBondContact N-O 3.04Å
150F87.3Confident83Confident5 Ų541.4 Ų41.42%0.02223%0.225CC..EExtended strand (participates in β ladder)trans-122.6134.2-179177.9-111.8000111.6L99 L121 L123 L152 L194 L197 L201 G203 E204L99-F150 HydrophobicContact CD1-CE2 4.29Å; L99-F150 HydrophobicContact CD1-CZ 4.5Å; L99-F150 HydrophobicContact CD2-CD2 4.29Å; L99-F150 HydrophobicContact CD2-CE2 3.63Å; L121-F150 WeakPolarHBondContact O-CA 3.4Å; L123-F150 HydrophobicContact CB-CE2 3.9Å; L123-F150 HydrophobicContact CB-CZ 4.17Å; L123-F150 HydrophobicContact CD2-CZ 4.33Å; F150-L152 HydrophobicContact CE1-CB 4.5Å; F150-L152 HydrophobicContact CZ-CB 4.39Å; F150-L194 HydrophobicContact CE1-CD2 4.15Å; F150-L194 HydrophobicContact CZ-CD2 3.85Å; F150-L197 HydrophobicContact CD1-CD2 4.42Å; F150-L197 HydrophobicContact CE1-CD2 4.26Å; F150-L201 HydrophobicContact CB-CD1 3.71Å; F150-L201 HydrophobicContact CD1-CD1 4.45Å; F150-L201 HydrophobicContact CG-CD1 4.28Å; F150-G203 WeakPolarHBondContact O-CA 3.32Å; F150-E204 PolarHBondContact O-N 2.86Å
151S88.3Confident82.1Confident4 Ų445.5 Ų45.53%0.02825%0.246CC..EExtended strand (participates in β ladder)trans-136.6149.6171.7-61.40000111.5H120 L121 L122 L123 E204H120-S151 PolarHBondContact CE1-OG 2.91Å; H120-S151 WeakPolarHBondContact NE2-CB 3.49Å; H120-S151 PolarHBondContact NE2-OG 3.04Å; L121-S151 PolarHBondContact O-N 3.4Å; L122-S151 WeakPolarHBondContact CA-O 3.35Å; L123-S151 PolarHBondContact N-O 3.01Å; S151-E204 CarbonylContact C-O 3.57Å; S151-E204 VanDerWaalsContact CA-O 3.28Å; S151-E204 WeakPolarHBondContact CA-O 3.42Å
152L89.1Confident80.6Confident0 Ų045.4 Ų45.40%025%0.25CC..EExtended strand (participates in β ladder)trans-122133.2179.117267.2000110.8L123 L127 F150 C155 L157 L194 E204 S205 Y206L123-L152 HydrophobicContact CB-CD1 4.14Å; L123-L152 HydrophobicContact CD2-CD1 3.89Å; L123-L152 HydrophobicContact CG-CD1 3.87Å; L123-L152 CarbonylContact O-C 3.56Å; L123-L152 WeakPolarHBondContact O-CA 3.39Å; L127-L152 HydrophobicContact CD1-CD2 3.98Å; L127-L152 HydrophobicContact CD2-CD1 4.22Å; F150-L152 HydrophobicContact CE1-CB 4.5Å; F150-L152 HydrophobicContact CZ-CB 4.39Å; L152-C155 HydrophobicContact CD2-CB 4.33Å; L152-C155 WeakPolarHBondContact CD2-O 3.34Å; L152-L157 HydrophobicContact CD2-CD1 3.91Å; L152-L157 HydrophobicContact CD2-CD2 4.26Å; L152-L157 HydrophobicContact CD2-CG 3.95Å; L152-L194 HydrophobicContact CD1-CD1 4.35Å; L152-L194 HydrophobicContact CD2-CD1 4.18Å; L152-E204 PolarHBondContact N-O 3.31Å; L152-S205 WeakPolarHBondContact O-CA 3.2Å; L152-Y206 PolarHBondContact O-N 2.85Å
153I88Confident78.5Confident2 Ų249.4 Ų49.41%0.0127%0.272CS..EExtended strand (participates in β ladder)trans-119.8129.5168.7-66.1171.3000108.7L122 L123 V124 S125 Y206 F208 A211 F218L122-I153 HydrophobicContact CD1-CD1 3.78Å; L122-I153 HydrophobicContact CD1-CG1 3.96Å; L122-I153 HydrophobicContact CD2-CD1 4.09Å; L122-I153 HydrophobicContact CG-CD1 4.38Å; L123-I153 PolarHBondContact O-N 3.46Å; V124-I153 WeakPolarHBondContact CA-O 3.22Å; V124-I153 HydrophobicContact CG1-CB 4.42Å; V124-I153 HydrophobicContact CG1-CG2 4.28Å; V124-I153 HydrophobicContact CG2-CB 4.31Å; S125-I153 PolarHBondContact N-O 2.67Å; I153-Y206 CarbonylContact C-O 3.54Å; I153-Y206 WeakPolarHBondContact CA-O 3.3Å; I153-F208 HydrophobicContact CG2-CD1 3.75Å; I153-F208 HydrophobicContact CG2-CE1 4.01Å; I153-A211 HydrophobicContact CB-CB 4.25Å; I153-A211 HydrophobicContact CD1-CB 4.08Å; I153-A211 HydrophobicContact CG1-CB 3.86Å; I153-A211 HydrophobicContact CG2-CB 3.48Å; I153-A211 VanDerWaalsContact CG2-CB 3.48Å; I153-F218 HydrophobicContact CD1-CD2 4.37Å; I153-F218 HydrophobicContact CD1-CE1 4.35Å; I153-F218 HydrophobicContact CD1-CE2 3.69Å; I153-F218 HydrophobicContact CD1-CZ 3.64Å; I153-F218 HydrophobicContact CG1-CE1 4.25Å; I153-F218 HydrophobicContact CG1-CE2 3.99Å; I153-F218 HydrophobicContact CG1-CZ 3.49Å; I153-F218 VanDerWaalsContact CG1-CZ 3.49Å
154G85.4Confident76Confident5 Ų553.6 Ų53.65%0.05230%0.298CS..SBendtrans122.2-7.1175.800000115S125 Y206S125-G154 WeakPolarHBondContact O-CA 3.32Å; G154-Y206 PolarHBondContact N-O 3.39Å
155C84.7Confident73.9Confident0 Ų052.8 Ų52.80%030%0.303CS..  trans-157.1115.4173.5-1770000110L127 L152 L157 R188 Y206 D207L127-C155 HydrophobicContact CD1-CB 3.77Å; L127-C155 HydrophobicContact CG-CB 4.28Å; L152-C155 HydrophobicContact CD2-CB 4.33Å; L152-C155 WeakPolarHBondContact CD2-O 3.34Å; C155-L157 PolarHBondContact O-N 3.41Å; C155-R188 PolarHBondContact SG-NH1 3.47Å; C155-Y206 CarbonylContact C-O 3.48Å; C155-Y206 PolarHBondContact N-O 2.93Å; C155-Y206 VanDerWaalsContact N-O 3.11Å; C155-D207 WeakPolarHBondContact CA-OD1 3.49Å
156D81.6Confident71.8Confident21 Ų2156.3 Ų56.311%0.11231%0.308CS..  trans-72.8106.3168.2-176-17.1000109.7K158 K159 S160 D207D156-K158 VanDerWaalsContact C-N 3.27Å; D156-K158 PolarHBondContact O-N 3.32Å; D156-K158 WeakPolarHBondContact OD1-CB 3.3Å; D156-K158 PolarHBondContact OD1-N 3.15Å; D156-K159 HydrophobicContact CB-CB 4.28Å; D156-K159 HydrophobicContact CB-CD 4.09Å; D156-K159 HydrophobicContact CB-CG 4.28Å; D156-K159 PolarHBondContact O-N 3.23Å; D156-K159 PolarHBondContact OD1-N 2.77Å; D156-K159 WeakPolarHBondContact OD2-CD 3.35Å; D156-K159 WeakPolarHBondContact OD2-CE 3.32Å; D156-K159 WeakPolarHBondContact OD2-CG 3.46Å; D156-K159 IonicContact OD2-NZ 3.68Å; D156-S160 WeakPolarHBondContact O-CB 3.3Å; D156-S160 PolarHBondContact O-N 2.84Å; D156-S160 PolarHBondContact O-OG 2.93Å; D156-D207 PolarHBondContact N-OD1 3.4Å
157L79.1Confident69.6Low0 Ų063.1 Ų63.10%034%0.343CS..Hα-helixtrans-66.9-31.3-176.9-65.5171.6000111.5L152 C155 S160 I161 I191 L194 W198 S205L152-L157 HydrophobicContact CD2-CD1 3.91Å; L152-L157 HydrophobicContact CD2-CD2 4.26Å; L152-L157 HydrophobicContact CD2-CG 3.95Å; C155-L157 PolarHBondContact O-N 3.41Å; L157-S160 WeakPolarHBondContact CA-OG 3.17Å; L157-S160 PolarHBondContact O-N 2.83Å; L157-S160 PolarHBondContact O-OG 2.88Å; L157-I161 HydrophobicContact CB-CD1 4.31Å; L157-I161 WeakPolarHBondContact O-CB 3.34Å; L157-I161 WeakPolarHBondContact O-CD1 3.13Å; L157-I161 WeakPolarHBondContact O-CG1 3.39Å; L157-I161 PolarHBondContact O-N 3.14Å; L157-I191 HydrophobicContact CD2-CG2 4.45Å; L157-L194 HydrophobicContact CD1-CB 4.29Å; L157-W198 HydrophobicContact CD1-CB 3.66Å; L157-W198 HydrophobicContact CD1-CD2 4.45Å; L157-W198 HydrophobicContact CD1-CG 3.71Å; L157-S205 WeakPolarHBondContact CB-OG 3.26Å; L157-S205 PolarHBondContact N-OG 2.84Å; L157-S205 VanDerWaalsContact N-OG 3.07Å
158K73.9Confident67.3Low126 Ų12669.5 Ų69.555%0.54835%0.35SS..Hα-helixtrans-65.4-43.6179.5-62.3-177.6178.4-1780111.5D156 N162 W198D156-K158 VanDerWaalsContact C-N 3.27Å; D156-K158 PolarHBondContact O-N 3.32Å; D156-K158 WeakPolarHBondContact OD1-CB 3.3Å; D156-K158 PolarHBondContact OD1-N 3.15Å; K158-N162 PolarHBondContact O-ND2 2.77Å; K158-W198 HydrophobicContact CD-CH2 4.45Å; K158-W198 HydrophobicContact CD-CZ2 4.49Å; K158-W198 VanDerWaalsContact CE-CZ2 3.49Å; K158-W198 HydrophobicContact CG-CH2 4.05Å; K158-W198 HydrophobicContact CG-CZ2 4.18Å
159K71Confident64.7Low108 Ų10876.4 Ų76.447%0.4739%0.387SS..Hα-helixtrans-67.8-40.3175.2-68.6176.3-162.91610111D156 V163 D207 D210D156-K159 HydrophobicContact CB-CB 4.28Å; D156-K159 HydrophobicContact CB-CD 4.09Å; D156-K159 HydrophobicContact CB-CG 4.28Å; D156-K159 PolarHBondContact O-N 3.23Å; D156-K159 PolarHBondContact OD1-N 2.77Å; D156-K159 WeakPolarHBondContact OD2-CD 3.35Å; D156-K159 WeakPolarHBondContact OD2-CE 3.32Å; D156-K159 WeakPolarHBondContact OD2-CG 3.46Å; D156-K159 IonicContact OD2-NZ 3.68Å; K159-V163 WeakPolarHBondContact O-CG2 2.93Å; K159-D207 IonicContact NZ-OD2 3.21Å; K159-D207 PolarHBondContact NZ-OD2 2.8Å; K159-D210 IonicContact NZ-OD2 2.81Å; K159-D210 PolarHBondContact NZ-OD2 2.98Å
160S64.5Low62Low34 Ų3479.9 Ų79.924%0.23841%0.405CS..Hα-helixtrans-72.7-32.7-173.674.20000114.7D156 L157D156-S160 WeakPolarHBondContact O-CB 3.3Å; D156-S160 PolarHBondContact O-N 2.84Å; D156-S160 PolarHBondContact O-OG 2.93Å; L157-S160 WeakPolarHBondContact CA-OG 3.17Å; L157-S160 PolarHBondContact O-N 2.83Å; L157-S160 PolarHBondContact O-OG 2.88Å
161I62.4Low59.4Low91 Ų9186.2 Ų86.247%0.46745%0.447SS..Hα-helixtrans-75.8-31.4-179.5-64.5162.1000111.2L157 V163 A195L157-I161 HydrophobicContact CB-CD1 4.31Å; L157-I161 WeakPolarHBondContact O-CB 3.34Å; L157-I161 WeakPolarHBondContact O-CD1 3.13Å; L157-I161 WeakPolarHBondContact O-CG1 3.39Å; L157-I161 PolarHBondContact O-N 3.14Å; I161-V163 VanDerWaalsContact C-N 3.31Å; I161-V163 PolarHBondContact O-N 3.01Å; I161-A195 HydrophobicContact CD1-CB 3.63Å; I161-A195 HydrophobicContact CG1-CB 4.25Å
162N51.9Low56.7Low128 Ų12889.3 Ų89.368%0.68448%0.479SS*.THydrogen-bonded Turntrans-83.23.1-174.8-71.2-21.1000114.7K158 T164K158-N162 PolarHBondContact O-ND2 2.77Å; N162-T164 PolarHBondContact O-N 3.49Å
163V40.7Very low54Low113 Ų11394.8 Ų94.869%0.68552%0.515SS*.  trans-80.385.4173.8-172.60000109.2K159 I161K159-V163 WeakPolarHBondContact O-CG2 2.93Å; I161-V163 VanDerWaalsContact C-N 3.31Å; I161-V163 PolarHBondContact O-N 3.01Å
164T34.2Very low51.4Low88 Ų8899.3 Ų99.354%0.5455%0.547SS..  trans-65.3143.2165.949.60000109.6N162 E166N162-T164 PolarHBondContact O-N 3.49Å; T164-E166 PolarHBondContact O-N 2.85Å
165P39.8Very low48.8Very low93 Ų93105.8 Ų105.860%0.60458%0.575SS**THydrogen-bonded Turntrans-64.2-0.3-176.4-20.131.4000115.9
166E40.6Very low46.4Very low173 Ų173109.8 Ų109.881%0.80861%0.608SS**THydrogen-bonded Turntrans-94.1-12.8-163.4-60.9-168.7163.500114.9T164 R168T164-E166 PolarHBondContact O-N 2.85Å; E166-R168 VanDerWaalsContact C-N 3.25Å; E166-R168 PolarHBondContact O-N 2.87Å; E166-R168 VanDerWaalsContact O-N 3.15Å
167N38.3Very low43.8Very low155 Ų155114.9 Ų114.983%0.82964%0.64SS**  trans-87.435.5177.7-75.3-9.5000114
168R37.3Very low41.6Very low189 Ų189118.2 Ų118.271%0.71366%0.663SS**  trans-92.9-4.4-170.4-77.3-173.6175.6-176.12.1116.5E166E166-R168 VanDerWaalsContact C-N 3.25Å; E166-R168 PolarHBondContact O-N 2.87Å; E166-R168 VanDerWaalsContact O-N 3.15Å
169D32.3Very low39.5Very low153 Ų153120.5 Ų120.582%0.81868%0.675SS**  trans-141.267.5-173.4-72.3-49.5000113
170E31.9Very low37.6Very low189 Ų189122.8 Ų122.888%0.88369%0.688SS**  trans-138121.6152.3-76.9-148.8162.300111.7
171P31.7Very low36Very low139 Ų139127.6 Ų127.690%0.90371%0.71SS**  trans-88.8106.1171.732.2-26.3000109.8
172G31.7Very low34.2Very low68 Ų68132.4 Ų132.470%0.70173%0.73SS**  trans-136.9144.4173.800000111.6
173P32.4Very low33.4Very low116 Ų116132.2 Ų132.275%0.75373%0.725SS**  trans-100.8153.2-144.238.2-33.4000114.9
174S35Very low33Very low96 Ų96130.7 Ų130.767%0.67172%0.719SS**  trans79.5130.7153.4-36.40000116.4
175H30.1Very low33.3Very low141 Ų141131.8 Ų131.865%0.65373%0.728SS**  cis-156.6105.3-5.7-89-69.8000105.5
176A33.4Very low33.8Very low84 Ų84133.6 Ų133.669%0.69473%0.726SS**  trans-131.8119.2155.400000105.1S178A176-S178 PolarHBondContact O-N 3.22Å
177V27.6Very low34.7Very low129 Ų129131.2 Ų131.278%0.78272%0.723SS**  trans-69.478.5170.1-177.90000106.1H179V177-H179 PolarHBondContact O-N 3.35Å; V177-H179 VanDerWaalsContact O-N 3.14Å
178S32.1Very low36.2Very low69 Ų69127.2 Ų127.248%0.48370%0.697SS.*  trans-60.9114.2156.6-58.90000105A176 H180A176-S178 PolarHBondContact O-N 3.22Å; S178-H180 PolarHBondContact O-CD2 2.93Å; S178-H180 PolarHBondContact O-N 2.83Å
179H31.1Very low37.5Very low174 Ų174120.9 Ų120.981%0.80668%0.68SS**  trans-5887.5154.6-85.3-75.3000106.6V177 L181V177-H179 PolarHBondContact O-N 3.35Å; V177-H179 VanDerWaalsContact O-N 3.14Å; H179-L181 PolarHBondContact O-N 3.49Å
180H31.5Very low39.5Very low157 Ų157113.6 Ų113.673%0.72764%0.641SS**  trans-66.781.8171.4-74.2-69.2000107.5S178 H182S178-H180 PolarHBondContact O-CD2 2.93Å; S178-H180 PolarHBondContact O-N 2.83Å; H180-H182 PolarHBondContact O-N 3.44Å
181L29.1Very low41.7Very low135 Ų135106.5 Ų106.571%0.70761%0.609SS**  trans-68.3110.9139.8-86.899.8000105.8H179 H183H179-L181 PolarHBondContact O-N 3.49Å; L181-H183 VanDerWaalsContact C-N 3.26Å; L181-H183 PolarHBondContact O-N 2.9Å
182H26Very low43.8Very low192 Ų192103.5 Ų103.589%0.88959%0.591SS**  trans-49.191166-85.8-80.6000109.9H180H180-H182 PolarHBondContact O-N 3.44Å
183H33.7Very low46Very low123 Ų123100.4 Ų100.457%0.56956%0.559SS**  trans-93106167.1-92.2-65.3000108L181L181-H183 VanDerWaalsContact C-N 3.26Å; L181-H183 PolarHBondContact O-N 2.9Å
184S32.6Very low48.3Very low81 Ų8194.9 Ų94.957%0.56652%0.523SS*.  trans-43.1136.5150.957.10000108.2K186S184-K186 VanDerWaalsContact C-N 3.27Å; S184-K186 PolarHBondContact O-N 3.42Å
185P40.5Very low50.4Low112 Ų11291.1 Ų91.173%0.72750%0.498SS*.  trans-65.192-17827.6-32.4000108.2T187P185-T187 PolarHBondContact O-N 2.8Å
186K51.9Low52.8Low131 Ų13189.2 Ų89.257%0.5749%0.489SS*.  trans-67.5107.3168.7-72.2-173.1178.4-177.40104.5Y128 S184 R188Y128-K186 HydrophobicContact CD1-CB 3.96Å; Y128-K186 HydrophobicContact CE1-CB 3.87Å; Y128-K186 WeakPolarHBondContact CE1-O 3.29Å; S184-K186 VanDerWaalsContact C-N 3.27Å; S184-K186 PolarHBondContact O-N 3.42Å; K186-R188 PolarHBondContact O-N 2.75Å
187T58.1Low55Low122 Ų12285.2 Ų85.275%0.74846%0.456SS*.  trans-51.7120.3172.344.40000107.8P185 P189P185-T187 PolarHBondContact O-N 2.8Å; T187-P189 WeakPolarHBondContact O-CD 3.29Å
188R71.1Confident57.5Low72 Ų7281.1 Ų81.127%0.27243%0.426SS..  trans-81.199.4172-72.2171.4176167.57.7106.9N126 L127 Y128 C155 K186 S190 I191N126-R188 PolarHBondContact O-NE 3.11Å; L127-R188 HydrophobicContact CB-CB 4.49Å; L127-R188 WeakPolarHBondContact O-CB 3.25Å; Y128-R188 HydrophobicContact CD1-CG 3.55Å; Y128-R188 HydrophobicContact CE1-CG 3.36Å; Y128-R188 HydrophobicContact CG-CG 4.31Å; Y128-R188 VanDerWaalsContact CZ-NE 3.33Å; Y128-R188 PolarHBondContact OH-NE 3.01Å; Y128-R188 PolarHBondContact OH-NH2 3.45Å; Y128-R188 VanDerWaalsContact OH-NH2 3.11Å; C155-R188 PolarHBondContact SG-NH1 3.47Å; K186-R188 PolarHBondContact O-N 2.75Å; R188-S190 PolarHBondContact O-N 2.96Å; R188-I191 HydrophobicContact CB-CD1 3.58Å; R188-I191 HydrophobicContact CB-CG1 3.62Å; R188-I191 HydrophobicContact CG-CD1 4.19Å; R188-I191 PolarHBondContact O-N 3.37Å
189P64.1Low59.8Low55 Ų5583.4 Ų83.436%0.35743%0.433SS..THydrogen-bonded Turntrans-62.6-32.2-167.3-19.534.1000111.9T187 I191 S192T187-P189 WeakPolarHBondContact O-CD 3.29Å; P189-I191 PolarHBondContact O-N 3.01Å; P189-S192 PolarHBondContact O-OG 3.42Å
190S73.7Confident62Low1 Ų179 Ų791%0.00741%0.413CS..THydrogen-bonded Turntrans-83-2.2-174.760.30000115.5L127 V131 R188 F193 L194L127-S190 VanDerWaalsContact CB-OG 3.3Å; L127-S190 WeakPolarHBondContact CB-OG 3.44Å; L127-S190 PolarHBondContact O-OG 3.16Å; V131-S190 VanDerWaalsContact CG2-CB 3.42Å; R188-S190 PolarHBondContact O-N 2.96Å; S190-F193 PolarHBondContact O-N 3.45Å; S190-L194 WeakPolarHBondContact O-CB 3.28Å; S190-L194 PolarHBondContact O-N 2.62Å
191I78.4Confident64.1Low39 Ų3973.1 Ų73.120%0.239%0.386CS..Hα-helixtrans-61.4-47.5178.9-75.2-179.5000110.7L127 L157 R188 P189 F193 L194 A195L127-I191 HydrophobicContact CD1-CG1 4.47Å; L157-I191 HydrophobicContact CD2-CG2 4.45Å; R188-I191 HydrophobicContact CB-CD1 3.58Å; R188-I191 HydrophobicContact CB-CG1 3.62Å; R188-I191 HydrophobicContact CG-CD1 4.19Å; R188-I191 PolarHBondContact O-N 3.37Å; P189-I191 PolarHBondContact O-N 3.01Å; I191-F193 VanDerWaalsContact C-N 3.32Å; I191-F193 PolarHBondContact O-N 3.27Å; I191-L194 PolarHBondContact O-N 2.92Å; I191-A195 WeakPolarHBondContact O-CB 3.47Å; I191-A195 PolarHBondContact O-N 3.33Å
192S75.1Confident66.3Low77 Ų7773.6 Ų73.654%0.53839%0.39SS..Hα-helixtrans-60.7-45.4-178.440.70000111.1P189 E196P189-S192 PolarHBondContact O-OG 3.42Å; S192-E196 PolarHBondContact O-N 3.39Å; S192-E196 VanDerWaalsContact O-N 3.12Å
193F77.7Confident68.6Low3 Ų364.9 Ų64.91%0.01335%0.352CS..Hα-helixtrans-57.3-54.9175.4167.2-93.5000112.2V96 L99 V136 V139 S190 I191 A195 E196 L197V96-F193 HydrophobicContact CB-CZ 4.23Å; V96-F193 HydrophobicContact CG1-CE2 4.05Å; V96-F193 HydrophobicContact CG1-CZ 3.91Å; V96-F193 HydrophobicContact CG2-CD1 3.95Å; V96-F193 HydrophobicContact CG2-CD2 4.2Å; V96-F193 HydrophobicContact CG2-CE1 3.55Å; V96-F193 HydrophobicContact CG2-CE2 3.73Å; V96-F193 HydrophobicContact CG2-CG 4.33Å; V96-F193 HydrophobicContact CG2-CZ 3.45Å; V96-F193 VanDerWaalsContact CG2-CZ 3.45Å; L99-F193 HydrophobicContact CD1-CE1 4.36Å; V136-F193 HydrophobicContact CB-CD2 3.87Å; V136-F193 HydrophobicContact CB-CE2 3.77Å; V136-F193 HydrophobicContact CG1-CD2 3.7Å; V136-F193 HydrophobicContact CG1-CE2 3.67Å; V136-F193 HydrophobicContact CG2-CD2 3.31Å; V136-F193 HydrophobicContact CG2-CE2 3.64Å; V139-F193 HydrophobicContact CG2-CZ 4.35Å; S190-F193 PolarHBondContact O-N 3.45Å; I191-F193 VanDerWaalsContact C-N 3.32Å; I191-F193 PolarHBondContact O-N 3.27Å; F193-A195 PolarHBondContact O-N 3.17Å; F193-E196 PolarHBondContact O-N 2.9Å; F193-L197 HydrophobicContact CE1-CD2 4.29Å; F193-L197 HydrophobicContact CZ-CD2 4.35Å; F193-L197 PolarHBondContact O-N 2.96Å
194L81.4Confident70.7Confident0 Ų062.7 Ų62.70%034%0.342CS..Hα-helixtrans-71.5-30.1-176.8-76.3176.6000112.5L99 L123 L127 F150 L152 L157 S190 I191 L197 W198L99-L194 HydrophobicContact CD1-CD2 4.19Å; L123-L194 HydrophobicContact CD2-CD1 3.96Å; L123-L194 HydrophobicContact CD2-CD2 4.28Å; L127-L194 HydrophobicContact CD1-CD1 3.54Å; L127-L194 HydrophobicContact CD2-CD1 3.25Å; L127-L194 HydrophobicContact CG-CD1 4.02Å; F150-L194 HydrophobicContact CE1-CD2 4.15Å; F150-L194 HydrophobicContact CZ-CD2 3.85Å; L152-L194 HydrophobicContact CD1-CD1 4.35Å; L152-L194 HydrophobicContact CD2-CD1 4.18Å; L157-L194 HydrophobicContact CD1-CB 4.29Å; S190-L194 WeakPolarHBondContact O-CB 3.28Å; S190-L194 PolarHBondContact O-N 2.62Å; I191-L194 PolarHBondContact O-N 2.92Å; L194-L197 HydrophobicContact CD2-CD2 4.13Å; L194-L197 PolarHBondContact O-N 2.9Å; L194-W198 WeakPolarHBondContact O-CA 3.21Å; L194-W198 WeakPolarHBondContact O-CB 3.19Å; L194-W198 PolarHBondContact O-N 3.4Å
195A79.8Confident73.2Confident17 Ų1759.4 Ų59.414%0.1432%0.319CS..Hα-helixtrans-64.1-44.4174.200000111.3I161 I191 F193 W198 D199I161-A195 HydrophobicContact CD1-CB 3.63Å; I161-A195 HydrophobicContact CG1-CB 4.25Å; I191-A195 WeakPolarHBondContact O-CB 3.47Å; I191-A195 PolarHBondContact O-N 3.33Å; F193-A195 PolarHBondContact O-N 3.17Å; A195-W198 PolarHBondContact O-N 3.06Å; A195-D199 WeakPolarHBondContact O-CB 3.4Å; A195-D199 PolarHBondContact O-N 2.82Å
196E79.3Confident75.1Confident101 Ų10155.4 Ų55.447%0.47229%0.289SS..Hα-helixtrans-64.2-45.5175.3-174.8176.4178.500111.3S192 F193 W198 D199 Q200S192-E196 PolarHBondContact O-N 3.39Å; S192-E196 VanDerWaalsContact O-N 3.12Å; F193-E196 PolarHBondContact O-N 2.9Å; E196-W198 VanDerWaalsContact C-N 3.32Å; E196-W198 PolarHBondContact O-N 3.06Å; E196-D199 PolarHBondContact O-N 2.65Å; E196-Q200 WeakPolarHBondContact O-CB 3.24Å; E196-Q200 VanDerWaalsContact O-CG 3.28Å; E196-Q200 WeakPolarHBondContact O-CG 3.46Å; E196-Q200 PolarHBondContact O-N 3.2Å; E196-Q200 PolarHBondContact OE1-NE2 2.76Å
197L79.1Confident76.6Confident0 Ų051.1 Ų51.10%027%0.272CS..Hα-helixtrans-61.9-40.6175.9-173.566.2000112.1L99 V139 L143 F150 F193 L194 Q200 L201L99-L197 HydrophobicContact CD1-CD2 4.32Å; V139-L197 HydrophobicContact CG1-CD1 4.22Å; V139-L197 HydrophobicContact CG1-CD2 4.05Å; L143-L197 HydrophobicContact CD1-CD1 4.35Å; L143-L197 HydrophobicContact CD1-CD2 4.36Å; F150-L197 HydrophobicContact CD1-CD2 4.42Å; F150-L197 HydrophobicContact CE1-CD2 4.26Å; F193-L197 HydrophobicContact CE1-CD2 4.29Å; F193-L197 HydrophobicContact CZ-CD2 4.35Å; F193-L197 PolarHBondContact O-N 2.96Å; L194-L197 HydrophobicContact CD2-CD2 4.13Å; L194-L197 PolarHBondContact O-N 2.9Å; L197-Q200 PolarHBondContact O-N 2.83Å; L197-L201 HydrophobicContact CD1-CD1 3.67Å; L197-L201 HydrophobicContact CD1-CG 4.18Å; L197-L201 HydrophobicContact CD2-CD1 4.49Å; L197-L201 HydrophobicContact CG-CD1 3.81Å; L197-L201 HydrophobicContact CG-CG 4.48Å; L197-L201 WeakPolarHBondContact O-CB 3.48Å; L197-L201 VanDerWaalsContact O-CG 3.32Å; L197-L201 WeakPolarHBondContact O-CG 3.46Å; L197-L201 PolarHBondContact O-N 2.83Å
198W81.2Confident77.7Confident43 Ų4346 Ų4616%0.16324%0.24CC..Hα-helixtrans-64.4-44.1179.8178.489.4000111.6L157 K158 L194 A195 E196 L201 N202 G203 S205L157-W198 HydrophobicContact CD1-CB 3.66Å; L157-W198 HydrophobicContact CD1-CD2 4.45Å; L157-W198 HydrophobicContact CD1-CG 3.71Å; K158-W198 HydrophobicContact CD-CH2 4.45Å; K158-W198 HydrophobicContact CD-CZ2 4.49Å; K158-W198 VanDerWaalsContact CE-CZ2 3.49Å; K158-W198 HydrophobicContact CG-CH2 4.05Å; K158-W198 HydrophobicContact CG-CZ2 4.18Å; L194-W198 WeakPolarHBondContact O-CA 3.21Å; L194-W198 WeakPolarHBondContact O-CB 3.19Å; L194-W198 PolarHBondContact O-N 3.4Å; A195-W198 PolarHBondContact O-N 3.06Å; E196-W198 VanDerWaalsContact C-N 3.32Å; E196-W198 PolarHBondContact O-N 3.06Å; W198-L201 PolarHBondContact O-N 3.19Å; W198-N202 PolarHBondContact O-N 2.93Å; W198-N202 VanDerWaalsContact O-N 3.11Å; W198-G203 VanDerWaalsContact CD1-C 3.48Å; W198-G203 VanDerWaalsContact CE2-O 3.25Å; W198-G203 PolarHBondContact NE1-O 3.05Å; W198-G203 PolarHBondContact O-N 2.69Å; W198-S205 PolarHBondContact NE1-OG 3.47Å
199D80Confident77.6Confident116 Ų11646.4 Ų46.462%0.6225%0.254SS*.Hα-helixtrans-66.3-41.7176.7-164.749.9000111.3A195 E196 L201A195-D199 WeakPolarHBondContact O-CB 3.4Å; A195-D199 PolarHBondContact O-N 2.82Å; E196-D199 PolarHBondContact O-N 2.65Å; D199-L201 PolarHBondContact O-N 3.07Å
200Q77.9Confident78.1Confident82 Ų8246.2 Ų46.238%0.38325%0.249SC..Hα-helixtrans-68-30.3178.3-72.1178.111.100114S140 Q144 E196 L197S140-Q200 PolarHBondContact OG-OE1 3.32Å; Q144-Q200 PolarHBondContact NE2-O 2.86Å; E196-Q200 WeakPolarHBondContact O-CB 3.24Å; E196-Q200 VanDerWaalsContact O-CG 3.28Å; E196-Q200 WeakPolarHBondContact O-CG 3.46Å; E196-Q200 PolarHBondContact O-N 3.2Å; E196-Q200 PolarHBondContact OE1-NE2 2.76Å; L197-Q200 PolarHBondContact O-N 2.83Å
201L75.9Confident78Confident33 Ų3346.1 Ų46.117%0.17325%0.249CC..Hα-helixtrans-99.8-2.6-176.1-65.9179.4000114L143 Q144 F150 L197 W198 D199 G203L143-L201 HydrophobicContact CB-CD1 4.07Å; L143-L201 HydrophobicContact CB-CD2 4.23Å; L143-L201 HydrophobicContact CD1-CD1 3.55Å; L143-L201 HydrophobicContact CG-CD1 4.46Å; Q144-L201 HydrophobicContact CG-CD2 3.46Å; Q144-L201 VanDerWaalsContact CG-CD2 3.46Å; F150-L201 HydrophobicContact CB-CD1 3.71Å; F150-L201 HydrophobicContact CD1-CD1 4.45Å; F150-L201 HydrophobicContact CG-CD1 4.28Å; L197-L201 HydrophobicContact CD1-CD1 3.67Å; L197-L201 HydrophobicContact CD1-CG 4.18Å; L197-L201 HydrophobicContact CD2-CD1 4.49Å; L197-L201 HydrophobicContact CG-CD1 3.81Å; L197-L201 HydrophobicContact CG-CG 4.48Å; L197-L201 WeakPolarHBondContact O-CB 3.48Å; L197-L201 VanDerWaalsContact O-CG 3.32Å; L197-L201 WeakPolarHBondContact O-CG 3.46Å; L197-L201 PolarHBondContact O-N 2.83Å; W198-L201 PolarHBondContact O-N 3.19Å; D199-L201 PolarHBondContact O-N 3.07Å; L201-G203 PolarHBondContact O-N 3.37Å
202N74.8Confident77.4Confident146 Ų14645.1 Ų45.178%0.78125%0.245SC*.THydrogen-bonded Turntrans48.147.3-164.8-69.5-28.2000111W198W198-N202 PolarHBondContact O-N 2.93Å; W198-N202 VanDerWaalsContact O-N 3.11Å
203G73.5Confident76.9Confident8 Ų842.7 Ų42.78%0.08223%0.227CC..  trans-68.4172.7-177.700000112.5F150 W198 L201F150-G203 WeakPolarHBondContact O-CA 3.32Å; W198-G203 VanDerWaalsContact CD1-C 3.48Å; W198-G203 VanDerWaalsContact CE2-O 3.25Å; W198-G203 PolarHBondContact NE1-O 3.05Å; W198-G203 PolarHBondContact O-N 2.69Å; L201-G203 PolarHBondContact O-N 3.37Å
204E79.4Confident76.2Confident78 Ų7842.6 Ų42.636%0.36423%0.226SC..EExtended strand (participates in β ladder)trans-117.4139.5170-59.4-173.8170.900109.8F150 S151 L152 Y206 I217F150-E204 PolarHBondContact O-N 2.86Å; S151-E204 CarbonylContact C-O 3.57Å; S151-E204 VanDerWaalsContact CA-O 3.28Å; S151-E204 WeakPolarHBondContact CA-O 3.42Å; L152-E204 PolarHBondContact N-O 3.31Å; E204-Y206 HydrophobicContact CB-CD2 4.49Å; E204-Y206 HydrophobicContact CB-CE2 3.57Å; E204-Y206 PolarHBondContact OE2-OH 2.08Å; E204-I217 WeakPolarHBondContact OE2-CG2 3.49Å
205S83.9Confident75.4Confident11 Ų1142.8 Ų42.88%0.07723%0.227CC..EExtended strand (participates in β ladder)trans-134140.7179.158.10000111L152 L157 W198L152-S205 WeakPolarHBondContact O-CA 3.2Å; L157-S205 WeakPolarHBondContact CB-OG 3.26Å; L157-S205 PolarHBondContact N-OG 2.84Å; L157-S205 VanDerWaalsContact N-OG 3.07Å; W198-S205 PolarHBondContact NE1-OG 3.47Å
206Y81.9Confident74.4Confident29 Ų2944 Ų4411%0.11424%0.235CC..EExtended strand (participates in β ladder)trans-143.7146.6-175.4-56.1-92.8000110.2L152 I153 G154 C155 E204 A214 I217 F218L152-Y206 PolarHBondContact O-N 2.85Å; I153-Y206 CarbonylContact C-O 3.54Å; I153-Y206 WeakPolarHBondContact CA-O 3.3Å; G154-Y206 PolarHBondContact N-O 3.39Å; C155-Y206 CarbonylContact C-O 3.48Å; C155-Y206 PolarHBondContact N-O 2.93Å; C155-Y206 VanDerWaalsContact N-O 3.11Å; E204-Y206 HydrophobicContact CB-CD2 4.49Å; E204-Y206 HydrophobicContact CB-CE2 3.57Å; E204-Y206 PolarHBondContact OE2-OH 2.08Å; Y206-A214 HydrophobicContact CD1-CB 3.6Å; Y206-A214 HydrophobicContact CE1-CB 3.54Å; Y206-A214 HydrophobicContact CG-CB 4.33Å; Y206-I217 HydrophobicContact CE1-CD1 4.05Å; Y206-I217 VanDerWaalsContact OH-CG2 3.29Å; Y206-I217 WeakPolarHBondContact OH-CG2 3.48Å; Y206-F218 AromaticContact CD2-CE1 3.64Å; Y206-F218 HydrophobicContact CD2-CE1 3.64Å; Y206-F218 HydrophobicContact CD2-CE2 4.11Å; Y206-F218 AromaticContact CD2-CZ 3.15Å; Y206-F218 HydrophobicContact CD2-CZ 3.15Å; Y206-F218 HydrophobicContact CE2-CD1 4.43Å; Y206-F218 AromaticContact CE2-CE1 3.43Å; Y206-F218 HydrophobicContact CE2-CE1 3.43Å; Y206-F218 VanDerWaalsContact CE2-CE1 3.43Å; Y206-F218 HydrophobicContact CE2-CE2 4.24Å; Y206-F218 AromaticContact CE2-CZ 3.33Å; Y206-F218 HydrophobicContact CE2-CZ 3.33Å; Y206-F218 AromaticContact CG-CZ 3.94Å; Y206-F218 HydrophobicContact CG-CZ 3.94Å
207D82.3Confident73.4Confident40 Ų4041.9 Ų41.921%0.21423%0.226CC..  trans-70.3162.2165.3-66.5-42.5000110.5C155 D156 K159 S209 D210 A211C155-D207 WeakPolarHBondContact CA-OD1 3.49Å; D156-D207 PolarHBondContact N-OD1 3.4Å; K159-D207 IonicContact NZ-OD2 3.21Å; K159-D207 PolarHBondContact NZ-OD2 2.8Å; D207-S209 VanDerWaalsContact C-N 3.29Å; D207-S209 PolarHBondContact O-N 3.4Å; D207-D210 HydrophobicContact CB-CB 4.47Å; D207-D210 PolarHBondContact O-N 3.34Å; D207-A211 WeakPolarHBondContact O-CB 3.09Å; D207-A211 PolarHBondContact O-N 3.34Å
208F80.6Confident72.3Confident16 Ų1642.2 Ų42.27%0.0723%0.228CC..Hα-helixtrans-59.2-39.9178.7-69.2-68.5000112.6M15 N18 E21 A22 V124 N126 I153 V212M15-F208 HydrophobicContact CE-CZ 3.9Å; N18-F208 HydrophobicContact CB-CD2 3.84Å; N18-F208 HydrophobicContact CB-CE2 3.53Å; N18-F208 HydrophobicContact CB-CZ 4.23Å; E21-F208 HydrophobicContact CB-CB 4.12Å; E21-F208 HydrophobicContact CB-CG 4.38Å; A22-F208 HydrophobicContact CB-CD1 4.29Å; A22-F208 HydrophobicContact CB-CE1 3.61Å; A22-F208 HydrophobicContact CB-CZ 4.15Å; V124-F208 HydrophobicContact CG1-CE1 3.81Å; N126-F208 HydrophobicContact CB-CE2 3.95Å; N126-F208 HydrophobicContact CB-CZ 4.4Å; I153-F208 HydrophobicContact CG2-CD1 3.75Å; I153-F208 HydrophobicContact CG2-CE1 4.01Å; F208-V212 WeakPolarHBondContact O-CG2 3.46Å
209S70.7Confident71.3Confident80 Ų8043.4 Ų43.456%0.55924%0.235SC*.Hα-helixtrans-60.1-48175.751.60000111.6D207D207-S209 VanDerWaalsContact C-N 3.29Å; D207-S209 PolarHBondContact O-N 3.4Å
210D72.5Confident69.9Low50 Ų5039.3 Ų39.327%0.26721%0.214SC..Hα-helixtrans-75.5-32-172.9-62.68.1000110.8K159 D207 V212 T213 A214K159-D210 IonicContact NZ-OD2 2.81Å; K159-D210 PolarHBondContact NZ-OD2 2.98Å; D207-D210 HydrophobicContact CB-CB 4.47Å; D207-D210 PolarHBondContact O-N 3.34Å; D210-V212 VanDerWaalsContact C-N 3.28Å; D210-V212 PolarHBondContact O-N 3.38Å; D210-T213 PolarHBondContact O-N 2.78Å; D210-A214 WeakPolarHBondContact O-CB 3.5Å; D210-A214 PolarHBondContact O-N 2.97Å
211A71.9Confident68.9Low0 Ų043.6 Ų43.60%023%0.227CC..Hα-helixtrans-61-36.4-177.500000112.4I153 D207 A214 L215 F218I153-A211 HydrophobicContact CB-CB 4.25Å; I153-A211 HydrophobicContact CD1-CB 4.08Å; I153-A211 HydrophobicContact CG1-CB 3.86Å; I153-A211 HydrophobicContact CG2-CB 3.48Å; I153-A211 VanDerWaalsContact CG2-CB 3.48Å; D207-A211 WeakPolarHBondContact O-CB 3.09Å; D207-A211 PolarHBondContact O-N 3.34Å; A211-A214 CarbonylContact O-C 3.54Å; A211-A214 VanDerWaalsContact O-C 3.26Å; A211-A214 PolarHBondContact O-N 3.13Å; A211-L215 WeakPolarHBondContact O-CG 3.34Å; A211-L215 PolarHBondContact O-N 3.06Å; A211-F218 HydrophobicContact CB-CE2 4.31Å
212V67.2Low67.7Low17 Ų1744.3 Ų44.310%0.10323%0.234CC..Hα-helixtrans-72.1-40.1-177.7-153.90000111.4C25 L28 F208 D210 A214 L215 P552C25-V212 WeakPolarHBondContact SG-CG2 3.47Å; L28-V212 HydrophobicContact CD1-CG1 3.44Å; L28-V212 VanDerWaalsContact CD1-CG1 3.44Å; F208-V212 WeakPolarHBondContact O-CG2 3.46Å; D210-V212 VanDerWaalsContact C-N 3.28Å; D210-V212 PolarHBondContact O-N 3.38Å; V212-A214 VanDerWaalsContact C-N 3.3Å; V212-L215 HydrophobicContact CG1-CD1 3.62Å; V212-L215 HydrophobicContact CG1-CG 4.35Å; V212-L215 WeakPolarHBondContact O-CB 3.49Å; V212-L215 WeakPolarHBondContact O-CD1 3.14Å; V212-L215 VanDerWaalsContact O-CG 3.27Å; V212-L215 WeakPolarHBondContact O-CG 3.47Å; V212-L215 PolarHBondContact O-N 3.13Å; V212-P552 HydrophobicContact CB-CB 3.27Å; V212-P552 HydrophobicContact CB-CG 4.02Å; V212-P552 HydrophobicContact CG1-CB 3.11Å; V212-P552 HydrophobicContact CG1-CG 3.28Å; V212-P552 HydrophobicContact CG2-CB 4.06Å
213T63.4Low67Low26 Ų2642 Ų4216%0.1623%0.226CC..Hα-helixtrans-67.4-34.8169.6-40.60000110.9D210 L215 R509 I510 G553D210-T213 PolarHBondContact O-N 2.78Å; T213-L215 PolarHBondContact O-N 3.21Å; T213-R509 HydrophobicContact CG2-CB 3.83Å; T213-R509 CarbonylContact O-C 3.53Å; T213-I510 HydrophobicContact CG2-CG1 3.95Å; T213-G553 WeakPolarHBondContact OG1-CA 3.42Å; T213-G553 PolarHBondContact OG1-N 2.92Å
214A63.5Low66.8Low1 Ų147.1 Ų47.11%0.00825%0.251CS..G310 helixtrans-80.56.317600000113.7Y206 D210 A211 V212 S216 I217 F218Y206-A214 HydrophobicContact CD1-CB 3.6Å; Y206-A214 HydrophobicContact CE1-CB 3.54Å; Y206-A214 HydrophobicContact CG-CB 4.33Å; D210-A214 WeakPolarHBondContact O-CB 3.5Å; D210-A214 PolarHBondContact O-N 2.97Å; A211-A214 CarbonylContact O-C 3.54Å; A211-A214 VanDerWaalsContact O-C 3.26Å; A211-A214 PolarHBondContact O-N 3.13Å; V212-A214 VanDerWaalsContact C-N 3.3Å; A214-S216 PolarHBondContact O-N 3.03Å; A214-I217 HydrophobicContact CB-CD1 3.86Å; A214-I217 HydrophobicContact CB-CG1 4.25Å; A214-I217 WeakPolarHBondContact O-CA 3.23Å; A214-I217 VanDerWaalsContact O-CB 3.3Å; A214-I217 WeakPolarHBondContact O-CB 3.46Å; A214-I217 PolarHBondContact O-N 3.33Å; A214-F218 HydrophobicContact CB-CE2 4.41Å; A214-F218 WeakPolarHBondContact O-CD2 3.37Å; A214-F218 PolarHBondContact O-N 2.81Å
215L64.9Low66.6Low4 Ų446.1 Ų46.12%0.02125%0.246CC..G310 helixtrans-55.4-30.6178.4-79.5173.1000112.6L28 L29 A211 V212 T213 I217 F218 E219L28-L215 HydrophobicContact CB-CD1 3.68Å; L28-L215 HydrophobicContact CD1-CD1 4.36Å; L29-L215 HydrophobicContact CB-CD2 3.83Å; L29-L215 HydrophobicContact CD1-CD2 3.99Å; L29-L215 HydrophobicContact CG-CD2 4.47Å; A211-L215 WeakPolarHBondContact O-CG 3.34Å; A211-L215 PolarHBondContact O-N 3.06Å; V212-L215 HydrophobicContact CG1-CD1 3.62Å; V212-L215 HydrophobicContact CG1-CG 4.35Å; V212-L215 WeakPolarHBondContact O-CB 3.49Å; V212-L215 WeakPolarHBondContact O-CD1 3.14Å; V212-L215 VanDerWaalsContact O-CG 3.27Å; V212-L215 WeakPolarHBondContact O-CG 3.47Å; V212-L215 PolarHBondContact O-N 3.13Å; T213-L215 PolarHBondContact O-N 3.21Å; L215-I217 PolarHBondContact O-N 2.75Å; L215-F218 HydrophobicContact CD2-CD2 4.31Å; L215-F218 PolarHBondContact O-N 3.48Å; L215-E219 PolarHBondContact O-N 2.91Å
216S59.1Low66.6Low42 Ų4257.2 Ų57.229%0.29429%0.286SS..G310 helixtrans-64.5-22.817464.90000113.8A214A214-S216 PolarHBondContact O-N 3.03Å
217I58Low67Low58 Ų5856.9 Ų56.930%0.29729%0.291SS..THydrogen-bonded Turntrans-81.8-39-179.3-49.1179.6000110.3E204 Y206 A214 L215 E219E204-I217 WeakPolarHBondContact OE2-CG2 3.49Å; Y206-I217 HydrophobicContact CE1-CD1 4.05Å; Y206-I217 VanDerWaalsContact OH-CG2 3.29Å; Y206-I217 WeakPolarHBondContact OH-CG2 3.48Å; A214-I217 HydrophobicContact CB-CD1 3.86Å; A214-I217 HydrophobicContact CB-CG1 4.25Å; A214-I217 WeakPolarHBondContact O-CA 3.23Å; A214-I217 VanDerWaalsContact O-CB 3.3Å; A214-I217 WeakPolarHBondContact O-CB 3.46Å; A214-I217 PolarHBondContact O-N 3.33Å; L215-I217 PolarHBondContact O-N 2.75Å; I217-E219 PolarHBondContact O-N 3.23Å
218F56.4Low67.6Low7 Ų756 Ų563%0.03129%0.285CS..SBendtrans-69.2-10.6173.1-56-66.6000113.3L29 L122 I153 Y206 A211 A214 L215 T220L29-F218 HydrophobicContact CD1-CB 4.08Å; L122-F218 HydrophobicContact CD1-CE1 4.25Å; I153-F218 HydrophobicContact CD1-CD2 4.37Å; I153-F218 HydrophobicContact CD1-CE1 4.35Å; I153-F218 HydrophobicContact CD1-CE2 3.69Å; I153-F218 HydrophobicContact CD1-CZ 3.64Å; I153-F218 HydrophobicContact CG1-CE1 4.25Å; I153-F218 HydrophobicContact CG1-CE2 3.99Å; I153-F218 HydrophobicContact CG1-CZ 3.49Å; I153-F218 VanDerWaalsContact CG1-CZ 3.49Å; Y206-F218 AromaticContact CD2-CE1 3.64Å; Y206-F218 HydrophobicContact CD2-CE1 3.64Å; Y206-F218 HydrophobicContact CD2-CE2 4.11Å; Y206-F218 AromaticContact CD2-CZ 3.15Å; Y206-F218 HydrophobicContact CD2-CZ 3.15Å; Y206-F218 HydrophobicContact CE2-CD1 4.43Å; Y206-F218 AromaticContact CE2-CE1 3.43Å; Y206-F218 HydrophobicContact CE2-CE1 3.43Å; Y206-F218 VanDerWaalsContact CE2-CE1 3.43Å; Y206-F218 HydrophobicContact CE2-CE2 4.24Å; Y206-F218 AromaticContact CE2-CZ 3.33Å; Y206-F218 HydrophobicContact CE2-CZ 3.33Å; Y206-F218 AromaticContact CG-CZ 3.94Å; Y206-F218 HydrophobicContact CG-CZ 3.94Å; A211-F218 HydrophobicContact CB-CE2 4.31Å; A214-F218 HydrophobicContact CB-CE2 4.41Å; A214-F218 WeakPolarHBondContact O-CD2 3.37Å; A214-F218 PolarHBondContact O-N 2.81Å; L215-F218 HydrophobicContact CD2-CD2 4.31Å; L215-F218 PolarHBondContact O-N 3.48Å; F218-T220 PolarHBondContact O-N 2.76Å
219E59.7Low68.2Low68 Ų6859.4 Ų59.432%0.31830%0.304SS..  trans-75.388.4172.3-73.8-174.213900111.6K32 L215 I217 R221K32-E219 WeakPolarHBondContact CD-OE1 3.42Å; K32-E219 VanDerWaalsContact CE-CD 3.46Å; K32-E219 WeakPolarHBondContact CE-OE1 3.47Å; K32-E219 WeakPolarHBondContact CG-OE1 3.5Å; K32-E219 IonicContact NZ-OE1 3.76Å; K32-E219 PolarHBondContact NZ-OE1 3Å; K32-E219 IonicContact NZ-OE2 2.89Å; K32-E219 PolarHBondContact NZ-OE2 2.91Å; L215-E219 PolarHBondContact O-N 2.91Å; I217-E219 PolarHBondContact O-N 3.23Å; E219-R221 PolarHBondContact O-N 2.85Å
220T51.4Low69.3Low30 Ų3056.1 Ų56.118%0.18428%0.281CS..  trans-61.1123.3155.757.20000108.5T3 F218 S222T3-T220 PolarHBondContact OG1-OG1 2.81Å; F218-T220 PolarHBondContact O-N 2.76Å; T220-S222 PolarHBondContact O-N 2.8Å
221R55.8Low70.3Confident172 Ų17256.2 Ų56.265%0.64929%0.285SS*.  trans-58.8115.1173.9-69.9-176.7-177.2-112.78.5108.5E219 V223E219-R221 PolarHBondContact O-N 2.85Å; R221-V223 PolarHBondContact O-N 2.73Å
222S51Low71.5Confident47 Ų4756.3 Ų56.333%0.32929%0.286SS..SBendtrans-57-23.1178.664.50000113.1M1 T220M1-S222 PolarHBondContact N-O 3.34Å; T220-S222 PolarHBondContact O-N 2.8Å
223V60Low72.8Confident99 Ų9959.6 Ų59.660%0.630%0.3SS*.SBendtrans-123.7118.7176.2-1740000109.8R221 Q225R221-V223 PolarHBondContact O-N 2.73Å; V223-Q225 PolarHBondContact O-N 2.81Å
224L68.3Low74.4Confident115 Ų11559.9 Ų59.960%0.60230%0.3SS*.  trans-52.6124.9165.2-82.5173.1000109K117 R226K117-L224 HydrophobicContact CD-CD1 4.27Å; L224-R226 PolarHBondContact O-N 3.47Å
225Q75.8Confident75.7Confident57 Ų5762.2 Ų62.227%0.26632%0.324SS..  trans-59.1130.4175.2-69.8-168.5-1.300109.7V223 G227 Y245 T246V223-Q225 PolarHBondContact O-N 2.81Å; Q225-G227 PolarHBondContact O-N 3.04Å; Q225-Y245 HydrophobicContact CB-CD1 4.17Å; Q225-T246 PolarHBondContact NE2-O 2.98Å; Q225-T246 PolarHBondContact OE1-O 3.1Å; Q225-T246 VanDerWaalsContact OE1-O 3.14Å
226R84.5Confident76.8Confident243 Ų24370.5 Ų70.592%0.91737%0.369SS*.  trans-76113.4170.8-71.3-173.4-178.6-174.61.2108L224L224-R226 PolarHBondContact O-N 3.47Å
227G89.9Confident78.2Confident22 Ų2273.7 Ų73.723%0.22739%0.391CS..  trans-63.6139.5173.500000111.7Q225 N229 V243 G244Q225-G227 PolarHBondContact O-N 3.04Å; G227-N229 PolarHBondContact O-N 2.82Å; G227-V243 VanDerWaalsContact CA-CG1 3.47Å; G227-G244 CarbonylContact C-O 3.56Å; G227-G244 WeakPolarHBondContact CA-O 3.43Å
228W94.2Very high79.8Confident21 Ų2174.9 Ų74.98%0.0840%0.397CS..EExtended strand (participates in β ladder)trans-85.995.9172.4-178.462.1000109.5V230 G244 K316 F318 F342 R382 V383 Y384W228-V230 HydrophobicContact CD2-CB 4.26Å; W228-V230 HydrophobicContact CD2-CG1 4.24Å; W228-V230 HydrophobicContact CE3-CB 4.23Å; W228-V230 HydrophobicContact CE3-CG1 3.73Å; W228-V230 HydrophobicContact CH2-CB 4.05Å; W228-V230 HydrophobicContact CH2-CG1 3.93Å; W228-V230 HydrophobicContact CH2-CG2 3.89Å; W228-V230 HydrophobicContact CZ2-CB 4.08Å; W228-V230 HydrophobicContact CZ2-CG1 4.41Å; W228-V230 HydrophobicContact CZ2-CG2 3.95Å; W228-V230 HydrophobicContact CZ3-CB 4.14Å; W228-V230 HydrophobicContact CZ3-CG1 3.58Å; W228-V230 HydrophobicContact CZ3-CG2 4.42Å; W228-V230 PolarHBondContact O-N 2.82Å; W228-G244 PolarHBondContact N-O 3.21Å; W228-G244 PolarHBondContact O-N 3.25Å; W228-K316 HydrophobicContact CZ2-CD 4.44Å; W228-K316 HydrophobicContact CZ2-CG 4.03Å; W228-F318 HydrophobicContact CH2-CB 4.18Å; W228-F318 HydrophobicContact CH2-CD2 4.45Å; W228-F318 HydrophobicContact CH2-CG 4.47Å; W228-F318 HydrophobicContact CZ3-CB 4.47Å; W228-F318 HydrophobicContact CZ3-CD2 4.28Å; W228-F318 HydrophobicContact CZ3-CG 4.33Å; W228-F342 AromaticContact CE3-CE1 3.76Å; W228-F342 HydrophobicContact CE3-CE1 3.76Å; W228-F342 AromaticContact CE3-CZ 3.76Å; W228-F342 HydrophobicContact CE3-CZ 3.76Å; W228-F342 AromaticContact CZ3-CE1 3.9Å; W228-F342 HydrophobicContact CZ3-CE1 3.9Å; W228-F342 AromaticContact CZ3-CZ 3.7Å; W228-F342 HydrophobicContact CZ3-CZ 3.7Å; W228-R382 HydrophobicContact CH2-CG 3.77Å; W228-R382 HydrophobicContact CZ3-CG 4.03Å; W228-V383 WeakPolarHBondContact CZ2-O 3.45Å; W228-Y384 HydrophobicContact CB-CE2 4.3Å; W228-Y384 AromaticContact CD1-CD2 3.69Å; W228-Y384 AromaticContact CD1-CE2 3.4Å; W228-Y384 HydrophobicContact CD2-CD2 4.06Å; W228-Y384 HydrophobicContact CD2-CE2 4.3Å; W228-Y384 AromaticContact CE2-CD2 3.81Å; W228-Y384 HydrophobicContact CG-CD2 4.04Å; W228-Y384 AromaticContact CG-CE2 3.79Å; W228-Y384 HydrophobicContact CG-CE2 3.79Å; W228-Y384 HydrophobicContact CZ2-CD2 4.43Å; W228-Y384 AromaticContact NE1-CD2 3.51Å; W228-Y384 AromaticContact NE1-CE2 3.71Å; W228-Y384 PolarHBondContact NE1-O 2.85Å
229N93.9Very high81.6Confident88 Ų8878.2 Ų78.247%0.47142%0.418SS..EExtended strand (participates in β ladder)trans-70.9117.3179-59.2-24.6000110.3G227 V243 K316G227-N229 PolarHBondContact O-N 2.82Å; N229-V243 WeakPolarHBondContact OD1-CG1 3.43Å; N229-V243 WeakPolarHBondContact OD1-CG2 3.31Å; N229-K316 WeakPolarHBondContact O-CE 3.25Å; N229-K316 PolarHBondContact O-NZ 2.76Å
230V94.3Very high83.2Confident12 Ų1275.5 Ų75.57%0.07341%0.405CS..EExtended strand (participates in β ladder)trans-147.4154179.568.70000109.9W228 V242 K316 F318 F342W228-V230 HydrophobicContact CD2-CB 4.26Å; W228-V230 HydrophobicContact CD2-CG1 4.24Å; W228-V230 HydrophobicContact CE3-CB 4.23Å; W228-V230 HydrophobicContact CE3-CG1 3.73Å; W228-V230 HydrophobicContact CH2-CB 4.05Å; W228-V230 HydrophobicContact CH2-CG1 3.93Å; W228-V230 HydrophobicContact CH2-CG2 3.89Å; W228-V230 HydrophobicContact CZ2-CB 4.08Å; W228-V230 HydrophobicContact CZ2-CG1 4.41Å; W228-V230 HydrophobicContact CZ2-CG2 3.95Å; W228-V230 HydrophobicContact CZ3-CB 4.14Å; W228-V230 HydrophobicContact CZ3-CG1 3.58Å; W228-V230 HydrophobicContact CZ3-CG2 4.42Å; W228-V230 PolarHBondContact O-N 2.82Å; V230-V242 HydrophobicContact CG1-CG2 3.78Å; V230-V242 PolarHBondContact N-O 2.81Å; V230-V242 CarbonylContact O-C 3.58Å; V230-V242 VanDerWaalsContact O-CG2 3.24Å; V230-V242 WeakPolarHBondContact O-CG2 3.43Å; V230-V242 PolarHBondContact O-N 2.84Å; V230-K316 HydrophobicContact CG2-CG 4.45Å; V230-F318 HydrophobicContact CB-CB 4.36Å; V230-F318 HydrophobicContact CG1-CB 3.85Å; V230-F318 HydrophobicContact CG1-CD1 3.89Å; V230-F318 HydrophobicContact CG1-CG 4.1Å; V230-F318 HydrophobicContact CG2-CB 3.56Å; V230-F342 HydrophobicContact CG1-CE1 3.92Å
231S94.1Very high85.2Confident52 Ų5275.6 Ų75.636%0.36441%0.407SS..EExtended strand (participates in β ladder)trans-94.3119.7173.5-55.80000110.1Q233 T239S231-Q233 PolarHBondContact O-N 3.48Å; S231-T239 VanDerWaalsContact CB-CG2 3.44Å
232L95.9Very high87Confident1 Ų167.4 Ų67.41%0.00538%0.376CS..EExtended strand (participates in β ladder)trans-71.6111.6170.417865.1000109I234 T239 I240 V242 F318 V320 L367 V380 L395 L406L232-I234 HydrophobicContact CG-CG1 4.49Å; L232-T239 CarbonylContact O-C 3.52Å; L232-T239 WeakPolarHBondContact O-CA 3.43Å; L232-I240 HydrophobicContact CB-CB 4.38Å; L232-I240 WeakPolarHBondContact CB-O 3.29Å; L232-I240 PolarHBondContact N-O 3.33Å; L232-I240 PolarHBondContact O-N 2.99Å; L232-V242 HydrophobicContact CB-CG1 4.25Å; L232-V242 HydrophobicContact CB-CG2 4.07Å; L232-F318 CarbonylContact C-O 3.52Å; L232-F318 VanDerWaalsContact CA-O 3.31Å; L232-F318 WeakPolarHBondContact CA-O 3.45Å; L232-F318 HydrophobicContact CB-CD1 4.06Å; L232-F318 HydrophobicContact CD1-CD1 3.61Å; L232-F318 HydrophobicContact CD1-CE1 3.72Å; L232-F318 HydrophobicContact CD1-CG 4.33Å; L232-F318 HydrophobicContact CG-CD1 4.43Å; L232-V320 HydrophobicContact CD1-CG2 3.79Å; L232-V320 HydrophobicContact CG-CG2 4.46Å; L232-L367 HydrophobicContact CD2-CD2 3.84Å; L232-V380 HydrophobicContact CD1-CG1 4.4Å; L232-L395 HydrophobicContact CD1-CD1 4.09Å; L232-L406 HydrophobicContact CD2-CD1 4.5Å
233Q95.6Very high89.1Confident87 Ų8765.6 Ų65.641%0.40736%0.363SS..EExtended strand (participates in β ladder)trans-96.1128.9179.1-69175.7-24.200110.4S231 T239 F318 S319 V320S231-Q233 PolarHBondContact O-N 3.48Å; Q233-T239 HydrophobicContact CG-CG2 4.47Å; Q233-F318 PolarHBondContact N-O 3.19Å; Q233-S319 WeakPolarHBondContact O-CA 3.27Å; Q233-V320 PolarHBondContact O-N 3Å
234I95.3Very high90.8Very high31 Ų3161 Ų6116%0.15934%0.335CS..EExtended strand (participates in β ladder)trans-119.9101.2175-50.2176.9000107.4L232 I238 I240 V320 F323 L367L232-I234 HydrophobicContact CG-CG1 4.49Å; I234-I238 HydrophobicContact CB-CB 4.09Å; I234-I238 HydrophobicContact CB-CG2 4.28Å; I234-I238 HydrophobicContact CD1-CG2 4.26Å; I234-I238 HydrophobicContact CG1-CG2 4.45Å; I234-I238 PolarHBondContact N-O 3Å; I234-I238 PolarHBondContact O-N 2.89Å; I234-I240 HydrophobicContact CD1-CD1 4.32Å; I234-V320 HydrophobicContact CG1-CB 4.37Å; I234-V320 HydrophobicContact CG1-CG2 3.85Å; I234-F323 HydrophobicContact CG2-CE2 4.37Å; I234-F323 HydrophobicContact CG2-CZ 4.23Å; I234-L367 HydrophobicContact CD1-CD1 4.32Å; I234-L367 HydrophobicContact CD1-CD2 3.91Å
235G91.8Very high92Very high50 Ų5059.5 Ų59.552%0.51532%0.322SS..THydrogen-bonded Turntrans56.6-154.7-165.700000112.1
236D88.2Confident92.8Very high179 Ų17959 Ų5996%0.95732%0.324SS*.THydrogen-bonded Turntrans-89.2-8.3-176.2-57.9-32.7000113.8
237S88.7Confident93.1Very high108 Ų10853.3 Ų53.376%0.75530%0.303SS*.THydrogen-bonded Turntrans-108.7-30.1-166.954.80000114.4
238I91.5Very high93.1Very high84 Ų8456.8 Ų56.843%0.43132%0.315SS..EExtended strand (participates in β ladder)trans-111.9127.5-173.4-61.4168000109I234 I240I234-I238 HydrophobicContact CB-CB 4.09Å; I234-I238 HydrophobicContact CB-CG2 4.28Å; I234-I238 HydrophobicContact CD1-CG2 4.26Å; I234-I238 HydrophobicContact CG1-CG2 4.45Å; I234-I238 PolarHBondContact N-O 3Å; I234-I238 PolarHBondContact O-N 2.89Å; I238-I240 HydrophobicContact CG2-CD1 4.33Å; I238-I240 HydrophobicContact CG2-CG1 4.11Å
239T93Very high92.8Very high76 Ų7662.5 Ų62.547%0.46634%0.341SS..EExtended strand (participates in β ladder)trans-135.8117.4177.5-62.30000108.9S231 L232 Q233S231-T239 VanDerWaalsContact CB-CG2 3.44Å; L232-T239 CarbonylContact O-C 3.52Å; L232-T239 WeakPolarHBondContact O-CA 3.43Å; Q233-T239 HydrophobicContact CG-CG2 4.47Å
240I93.4Very high92.5Very high11 Ų1163.9 Ų63.96%0.05634%0.344CS..EExtended strand (participates in β ladder)trans-113.6111.4-178.5-55.2173.7000108.5L232 I234 I238 V242 A363 L364L232-I240 HydrophobicContact CB-CB 4.38Å; L232-I240 WeakPolarHBondContact CB-O 3.29Å; L232-I240 PolarHBondContact N-O 3.33Å; L232-I240 PolarHBondContact O-N 2.99Å; I234-I240 HydrophobicContact CD1-CD1 4.32Å; I238-I240 HydrophobicContact CG2-CD1 4.33Å; I238-I240 HydrophobicContact CG2-CG1 4.11Å; I240-V242 HydrophobicContact CG2-CG1 4.1Å; I240-V242 PolarHBondContact O-N 2.88Å; I240-A363 HydrophobicContact CD1-CB 3.98Å; I240-A363 HydrophobicContact CG1-CB 4.19Å; I240-A363 HydrophobicContact CG2-CB 4.43Å; I240-L364 HydrophobicContact CG2-CB 4.46Å
241P94.3Very high91.9Very high33 Ų3366.2 Ų66.221%0.21436%0.364CS..EExtended strand (participates in β ladder)trans-63.4120.8172.9-22.834.1000111.8Q345P241-Q345 HydrophobicContact CB-CB 4.05Å; P241-Q345 PolarHBondContact O-N 2.83Å; P241-Q345 VanDerWaalsContact O-N 3.1Å
242V94.3Very high91.4Very high0 Ų069.5 Ų69.50%037%0.374CS..EExtended strand (participates in β ladder)trans-128.7161.1-179.2-63.30000111.4V230 L232 I240 F318 F342 V343 L364V230-V242 HydrophobicContact CG1-CG2 3.78Å; V230-V242 PolarHBondContact N-O 2.81Å; V230-V242 CarbonylContact O-C 3.58Å; V230-V242 VanDerWaalsContact O-CG2 3.24Å; V230-V242 WeakPolarHBondContact O-CG2 3.43Å; V230-V242 PolarHBondContact O-N 2.84Å; L232-V242 HydrophobicContact CB-CG1 4.25Å; L232-V242 HydrophobicContact CB-CG2 4.07Å; I240-V242 HydrophobicContact CG2-CG1 4.1Å; I240-V242 PolarHBondContact O-N 2.88Å; V242-F318 HydrophobicContact CG2-CD1 4.11Å; V242-F318 HydrophobicContact CG2-CE1 4.3Å; V242-F342 HydrophobicContact CB-CD1 4.16Å; V242-F342 HydrophobicContact CG2-CD1 3.68Å; V242-F342 HydrophobicContact CG2-CE1 4.21Å; V242-V343 CarbonylContact C-O 3.57Å; V242-V343 WeakPolarHBondContact CA-O 3.11Å; V242-L364 HydrophobicContact CG1-CD1 3.96Å; V242-L364 HydrophobicContact CG1-CD2 4.37Å
243V94.8Very high90.8Very high8 Ų871.2 Ų71.25%0.04839%0.385CS..EExtended strand (participates in β ladder)trans-125.5120.1175.1-172.50000108.3G227 N229 Y245 F342 V343 Q345G227-V243 VanDerWaalsContact CA-CG1 3.47Å; N229-V243 WeakPolarHBondContact OD1-CG1 3.43Å; N229-V243 WeakPolarHBondContact OD1-CG2 3.31Å; V243-Y245 HydrophobicContact CB-CE2 4Å; V243-Y245 HydrophobicContact CG1-CD2 4.3Å; V243-Y245 HydrophobicContact CG1-CE1 4.38Å; V243-Y245 HydrophobicContact CG1-CE2 3.57Å; V243-F342 WeakPolarHBondContact O-CA 3.18Å; V243-V343 HydrophobicContact CB-CG2 4.42Å; V243-V343 PolarHBondContact N-O 3.11Å; V243-V343 PolarHBondContact O-N 2.9Å; V243-Q345 HydrophobicContact CG2-CB 3.96Å; V243-Q345 HydrophobicContact CG2-CG 4.02Å
244G94.5Very high90.1Very high3 Ų369.3 Ų69.33%0.03138%0.38CS..EExtended strand (participates in β ladder)trans-90.9130.5175.400000112G227 W228 V341G227-G244 CarbonylContact C-O 3.56Å; G227-G244 WeakPolarHBondContact CA-O 3.43Å; W228-G244 PolarHBondContact N-O 3.21Å; W228-G244 PolarHBondContact O-N 3.25Å; G244-V341 CarbonylContact C-O 3.49Å; G244-V341 WeakPolarHBondContact CA-O 3.32Å
245Y94.3Very high89.6Confident83 Ų8374 Ų7433%0.32541%0.411SS..EExtended strand (participates in β ladder)trans-114.6151.4172.3-64-86.2000109.9Q225 V243 Y247 L340 V341 V343Q225-Y245 HydrophobicContact CB-CD1 4.17Å; V243-Y245 HydrophobicContact CB-CE2 4Å; V243-Y245 HydrophobicContact CG1-CD2 4.3Å; V243-Y245 HydrophobicContact CG1-CE1 4.38Å; V243-Y245 HydrophobicContact CG1-CE2 3.57Å; Y245-Y247 PolarHBondContact O-N 3.4Å; Y245-L340 CarbonylContact O-C 3.11Å; Y245-L340 WeakPolarHBondContact O-CA 3.26Å; Y245-V341 PolarHBondContact N-O 2.88Å; Y245-V341 PolarHBondContact O-N 3.08Å; Y245-V343 HydrophobicContact CD2-CG2 4.05Å; Y245-V343 HydrophobicContact CE2-CG2 3.61Å
246T92.9Very high89.3Confident48 Ų4878.7 Ų78.729%0.29442%0.421SS..EExtended strand (participates in β ladder)trans-81.3110177.2-58.50000109.1Q225 K249 L340Q225-T246 PolarHBondContact NE2-O 2.98Å; Q225-T246 PolarHBondContact OE1-O 3.1Å; Q225-T246 VanDerWaalsContact OE1-O 3.14Å; T246-K249 HydrophobicContact CG2-CB 3.81Å; T246-L340 HydrophobicContact CG2-CD2 4.46Å
247Y90.2Very high89.1Confident123 Ų12380.6 Ų80.648%0.48242%0.415SS..EExtended strand (participates in β ladder)trans-78.9-57.4179.2-174.4-113.6000110.4Y245 V339 M407Y245-Y247 PolarHBondContact O-N 3.4Å; Y247-V339 HydrophobicContact CD1-CG1 4.47Å; Y247-V339 PolarHBondContact N-O 2.85Å; Y247-M407 HydrophobicContact CD1-CE 3.72Å; Y247-M407 HydrophobicContact CD1-SD 4.03Å; Y247-M407 HydrophobicContact CD2-CE 3.8Å; Y247-M407 HydrophobicContact CE1-CE 3.85Å; Y247-M407 HydrophobicContact CE2-CE 3.9Å; Y247-M407 HydrophobicContact CG-CE 3.72Å; Y247-M407 HydrophobicContact CG-SD 4.11Å
248I90.3Very high89Confident94 Ų9481.9 Ų81.948%0.48241%0.412SS..EExtended strand (participates in β ladder)trans-119.1139.4177.8-63.7161.7000109.6S338 V339I248-S338 CarbonylContact O-C 3.57Å; I248-S338 WeakPolarHBondContact O-CA 3.45Å; I248-S338 VanDerWaalsContact O-CB 3.31Å; I248-S338 WeakPolarHBondContact O-CB 3.36Å; I248-V339 HydrophobicContact CB-CB 4.11Å; I248-V339 HydrophobicContact CB-CG2 4.25Å; I248-V339 HydrophobicContact CD1-CB 4.42Å; I248-V339 HydrophobicContact CD1-CG2 4.27Å; I248-V339 PolarHBondContact N-O 3.06Å; I248-V339 PolarHBondContact O-N 2.74Å
249K88.5Confident88.7Confident142 Ų14283.6 Ų83.662%0.61742%0.419SS*.EExtended strand (participates in β ladder)trans-153.7144.1170.7-172.5176.7179.2179.70109.6T246 A251T246-K249 HydrophobicContact CG2-CB 3.81Å; K249-A251 PolarHBondContact O-N 3.28Å
250E86.6Confident88.4Confident117 Ų11783.9 Ų83.955%0.54741%0.412SS..  trans-57.2131.5171-167.9179.4164.600111.3H252E250-H252 IonicContact OE1-CE1 2.92Å; E250-H252 PolarHBondContact OE1-CE1 3.15Å; E250-H252 VanDerWaalsContact OE1-CE1 3.31Å; E250-H252 IonicContact OE1-ND1 3.44Å; E250-H252 IonicContact OE2-CE1 3.79Å
251A82.3Confident88Confident60 Ų6088 Ų8850%0.49645%0.448SS..  trans-88.9129.7174.600000109.7K249 I515K249-A251 PolarHBondContact O-N 3.28Å; A251-I515 HydrophobicContact CB-CD1 3.89Å
252H83Confident87.7Confident122 Ų12291.1 Ų91.157%0.56547%0.468SS*.  trans-113.8149.1175.4-62.3-55.5000110.5E250E250-H252 IonicContact OE1-CE1 2.92Å; E250-H252 PolarHBondContact OE1-CE1 3.15Å; E250-H252 VanDerWaalsContact OE1-CE1 3.31Å; E250-H252 IonicContact OE1-ND1 3.44Å; E250-H252 IonicContact OE2-CE1 3.79Å
253P83.3Confident87.2Confident37 Ų3793.9 Ų93.924%0.2448%0.483CS..PPolyproline II helixtrans-65166171.933.9-41.9000111.7W514 F518P253-W514 HydrophobicContact CB-CH2 4.15Å; P253-W514 HydrophobicContact CB-CZ3 3.69Å; P253-W514 HydrophobicContact CG-CH2 3.62Å; P253-W514 HydrophobicContact CG-CZ3 3.39Å; P253-F518 HydrophobicContact CB-CD1 3.89Å; P253-F518 HydrophobicContact CB-CE1 4.01Å
254P82.1Confident86.6Confident47 Ų4797.1 Ų97.131%0.30550%0.504SS..PPolyproline II helixtrans-52.3138.8163.3-23.232.3000112F35 F519F35-P254 WeakPolarHBondContact O-CG 3.33Å; P254-F519 HydrophobicContact CG-CE1 4.22Å
255T83.6Confident86.2Confident130 Ų130102.5 Ų102.580%0.79854%0.537SS*.PPolyproline II helixtrans-68.9130.8179.352.80000111.2
256M85.6Confident85.9Confident147 Ų147102.8 Ų102.872%0.72454%0.544SS*.PPolyproline II helixtrans-77.6146172.8-61.9-174.6-164.900111.4F518M256-F518 HydrophobicContact CE-CD2 4.13Å; M256-F518 HydrophobicContact CE-CE2 3.23Å; M256-F518 HydrophobicContact CE-CZ 3.63Å
257R84Confident85.3Confident219 Ų219106.4 Ų106.483%0.82657%0.568SS**  trans-106.8136.6172.1-64.3-175.9-179.9-172.61.6109.5
258I85.7Confident84.9Confident135 Ų135103.4 Ų103.469%0.69256%0.56SS**  trans-75.1127.4170.7-57.2171.4000107.2L268 M829I258-L268 HydrophobicContact CG2-CD1 3.82Å; I258-M829 HydrophobicContact CG2-CE 4.02Å
259M85.4Confident84.5Confident120 Ų120109.2 Ų109.259%0.59158%0.576SS**  trans-127.7150.6-179-62-174.9-63.700109.6A261 P264 L268M259-A261 PolarHBondContact O-N 2.69Å; M259-P264 HydrophobicContact CB-CB 4.19Å; M259-P264 HydrophobicContact SD-CB 3.95Å; M259-L268 VanDerWaalsContact C-CD1 3.5Å
260Y87Confident84.2Confident83 Ų83106.5 Ų106.533%0.32558%0.58SS.*  trans-73.2120.7172.5-177.4-122.1000108.8P262 D263 P264 L266Y260-P262 HydrophobicContact CD1-CB 4.21Å; Y260-P262 HydrophobicContact CD1-CG 4.26Å; Y260-P262 HydrophobicContact CE1-CB 3.66Å; Y260-P262 HydrophobicContact CE1-CG 3.66Å; Y260-P262 HydrophobicContact CE2-CG 4.04Å; Y260-D263 HydrophobicContact CD1-CB 4.15Å; Y260-D263 CarbonylContact O-C 3.43Å; Y260-D263 PolarHBondContact O-N 2.92Å; Y260-P264 WeakPolarHBondContact O-CA 3.46Å; Y260-L266 HydrophobicContact CD1-CD1 4.06Å; Y260-L266 HydrophobicContact CE1-CD1 4.37Å
261A85.4Confident84Confident98 Ų98104.1 Ų104.181%0.8157%0.573SS**SBendtrans-62.2-40.7-17000000113.9M259M259-A261 PolarHBondContact O-N 2.69Å
262P86.9Confident84.1Confident98 Ų98104 Ų10464%0.63657%0.566SS**SBendtrans-68.2-35.8176.4-23.836.2000114Y260Y260-P262 HydrophobicContact CD1-CB 4.21Å; Y260-P262 HydrophobicContact CD1-CG 4.26Å; Y260-P262 HydrophobicContact CE1-CB 3.66Å; Y260-P262 HydrophobicContact CE1-CG 3.66Å; Y260-P262 HydrophobicContact CE2-CG 4.04Å
263D85.7Confident84.2Confident57 Ų57102.7 Ų102.731%0.30556%0.559SS.*  trans-142.596.2178.4-174.2-4.9000110.9Y260 T265 L266Y260-D263 HydrophobicContact CD1-CB 4.15Å; Y260-D263 CarbonylContact O-C 3.43Å; Y260-D263 PolarHBondContact O-N 2.92Å; D263-T265 PolarHBondContact O-N 3.4Å; D263-T265 VanDerWaalsContact O-N 3.14Å; D263-T265 WeakPolarHBondContact OD1-CB 3.32Å; D263-T265 PolarHBondContact OD1-N 2.78Å; D263-T265 PolarHBondContact OD1-OG1 3.02Å; D263-T265 PolarHBondContact OD2-OG1 2.72Å; D263-L266 HydrophobicContact CB-CD1 3.85Å; D263-L266 HydrophobicContact CB-CG 4.05Å; D263-L266 PolarHBondContact O-N 3.27Å; D263-L266 WeakPolarHBondContact OD2-CG 3.29Å
264P82.1Confident84.4Confident76 Ų76104 Ų10449%0.49456%0.559SS.*THydrogen-bonded Turntrans-69.9-8.1-178.828.8-35.1000113.3M259 Y260 L266M259-P264 HydrophobicContact CB-CB 4.19Å; M259-P264 HydrophobicContact SD-CB 3.95Å; Y260-P264 WeakPolarHBondContact O-CA 3.46Å; P264-L266 VanDerWaalsContact C-N 3.35Å
265T86Confident84.5Confident117 Ų117106.1 Ų106.172%0.71856%0.562SS**THydrogen-bonded Turntrans-81-18.2177.173.10000112.7D263D263-T265 PolarHBondContact O-N 3.4Å; D263-T265 VanDerWaalsContact O-N 3.14Å; D263-T265 WeakPolarHBondContact OD1-CB 3.32Å; D263-T265 PolarHBondContact OD1-N 2.78Å; D263-T265 PolarHBondContact OD1-OG1 3.02Å; D263-T265 PolarHBondContact OD2-OG1 2.72Å
266L86.5Confident84.5Confident89 Ų89101.1 Ų101.147%0.46653%0.531SS..SBendtrans-74.9125.9177.7-67.4174.3000110.9Y260 D263 P264 L268Y260-L266 HydrophobicContact CD1-CD1 4.06Å; Y260-L266 HydrophobicContact CE1-CD1 4.37Å; D263-L266 HydrophobicContact CB-CD1 3.85Å; D263-L266 HydrophobicContact CB-CG 4.05Å; D263-L266 PolarHBondContact O-N 3.27Å; D263-L266 WeakPolarHBondContact OD2-CG 3.29Å; P264-L266 VanDerWaalsContact C-N 3.35Å; L266-L268 PolarHBondContact O-N 2.8Å
267P80.9Confident84.2Confident124 Ų12499.1 Ų99.181%0.80552%0.519SS*.PPolyproline II helixtrans-72.3117.7178.429-32.9000110.5
268L82.9Confident84Confident60 Ų6090.7 Ų90.731%0.31449%0.491SS..PPolyproline II helixtrans-76.2133.6170.3-72.9172.9000110.8I258 M259 L266 M829I258-L268 HydrophobicContact CG2-CD1 3.82Å; M259-L268 VanDerWaalsContact C-CD1 3.5Å; L266-L268 PolarHBondContact O-N 2.8Å; L268-M829 HydrophobicContact CD1-CE 4Å; L268-M829 HydrophobicContact CD2-CE 4.49Å
269R82Confident83.6Confident215 Ų21590.2 Ų90.281%0.81150%0.497SS*.  trans-117.1116.4174-175.7179.6179.4-176.4-0.5110.1V271R269-V271 PolarHBondContact O-N 3.21Å
270A81.3Confident83.4Confident86 Ų8691.2 Ų91.271%0.71150%0.504SS*.  trans-69.3128.2170.800000110.3
271V83Confident83Confident66 Ų6691.3 Ų91.340%0.452%0.515SS..EExtended strand (participates in β ladder)trans-112.3121.4175-179.10000108.5R269 K273R269-V271 PolarHBondContact O-N 3.21Å; V271-K273 HydrophobicContact CG1-CG 4.47Å
272T84.7Confident82.8Confident58 Ų5890.2 Ų90.236%0.35650%0.501SS..EExtended strand (participates in β ladder)trans-103.2124175.8-57.20000109.2Y274 V825T272-Y274 HydrophobicContact CG2-CE1 4.29Å; T272-Y274 HydrophobicContact CG2-CE2 4.37Å; T272-V825 HydrophobicContact CG2-CG1 4.1Å
273K85.1Confident82.8Confident94 Ų9490 Ų9041%0.40949%0.494SS..EExtended strand (participates in β ladder)trans-108.5137.5174.8-66.3179.5-177.6168.50109.3V271V271-K273 HydrophobicContact CG1-CG 4.47Å
274Y86.6Confident82.8Confident64 Ų6489.4 Ų89.425%0.25149%0.491SS..EExtended strand (participates in β ladder)trans-104.9131.5177.9-60.6-82000109.3T272 L284 V289T272-Y274 HydrophobicContact CG2-CE1 4.29Å; T272-Y274 HydrophobicContact CG2-CE2 4.37Å; Y274-L284 PolarHBondContact O-N 3.17Å; Y274-V289 HydrophobicContact CD1-CG2 4.2Å; Y274-V289 HydrophobicContact CD2-CG2 4.29Å; Y274-V289 HydrophobicContact CG-CG2 3.9Å
275R84Confident82.9Confident93 Ų9390.6 Ų90.635%0.35149%0.493SS..EExtended strand (participates in β ladder)trans-132.4140.6-178.8-74.3178.8176.7165.5-1.8112.1C282 D283 L823R275-C282 WeakPolarHBondContact CA-O 3.4Å; R275-D283 WeakPolarHBondContact CG-OD1 3.12Å; R275-D283 IonicContact CZ-OD1 2.84Å; R275-D283 IonicContact NE-OD1 3.63Å; R275-D283 PolarHBondContact NE-OD1 3.22Å; R275-D283 IonicContact NH2-OD1 2.75Å; R275-L823 WeakPolarHBondContact O-CD2 3.35Å
276T84.4Confident82.9Confident24 Ų2489 Ų8915%0.14749%0.487CS..EExtended strand (participates in β ladder)trans-63.3147.5170.959.30000111.4D278 C282 L284 L823T276-D278 VanDerWaalsContact C-N 3.26Å; T276-C282 PolarHBondContact N-O 3.2Å; T276-C282 PolarHBondContact OG1-N 3.38Å; T276-L284 HydrophobicContact CG2-CD1 3.9Å; T276-L284 HydrophobicContact CG2-CD2 4.39Å; T276-L284 HydrophobicContact CG2-CG 4.23Å; T276-L823 HydrophobicContact CG2-CD2 4.34Å
277Q79.4Confident82.8Confident105 Ų10590 Ų9049%0.49150%0.501SS..  trans-87.611172.4-74.6179.16.600113V822 L823 K824Q277-V822 WeakPolarHBondContact CB-O 3.15Å; Q277-V822 WeakPolarHBondContact CG-O 3.48Å; Q277-V822 PolarHBondContact NE2-O 3.39Å; Q277-V822 PolarHBondContact OE1-O 2.91Å; Q277-L823 PolarHBondContact NE2-O 2.76Å; Q277-K824 HydrophobicContact CG-CB 4.36Å
278D79.3Confident83Confident43 Ų4389.5 Ų89.523%0.2349%0.488CS..SBendtrans-67.2157.2174.5-66.5-60.4000110.5T276 D280 R821T276-D278 VanDerWaalsContact C-N 3.26Å; D278-D280 CarbonylContact O-C 3.58Å; D278-D280 PolarHBondContact O-N 3.45Å; D278-R821 VanDerWaalsContact CG-NE 3.31Å; D278-R821 VanDerWaalsContact CG-NH2 3.28Å; D278-R821 IonicContact OD1-CZ 3.24Å; D278-R821 VanDerWaalsContact OD1-CZ 3.24Å; D278-R821 IonicContact OD1-NE 3.63Å; D278-R821 PolarHBondContact OD1-NE 2.97Å; D278-R821 IonicContact OD1-NH2 2.97Å; D278-R821 PolarHBondContact OD1-NH2 2.55Å; D278-R821 IonicContact OD2-CZ 3.01Å; D278-R821 IonicContact OD2-NE 2.8Å; D278-R821 PolarHBondContact OD2-NE 3.41Å; D278-R821 IonicContact OD2-NH1 3.68Å; D278-R821 IonicContact OD2-NH2 3.09Å; D278-R821 PolarHBondContact OD2-NH2 3.48Å; D278-R821 VanDerWaalsContact OD2-NH2 3.09Å
279P76.7Confident83.2Confident125 Ų12588.9 Ų88.981%0.81249%0.487SS*.SBendtrans-55.1-26.5178.718.4-30.9000113.7P281P279-P281 WeakPolarHBondContact O-CD 3.33Å
280D80.7Confident83.5Confident140 Ų14082.8 Ų82.875%0.74947%0.473SS*.SBendtrans-108.993.2168.7-64.2-40.7000109.4D278 C282D278-D280 CarbonylContact O-C 3.58Å; D278-D280 PolarHBondContact O-N 3.45Å; D280-C282 PolarHBondContact O-N 2.97Å
281P79.6Confident83.8Confident86 Ų8686.4 Ų86.456%0.55847%0.469SS*.  trans-68.4126.4-176.426.1-33.3000111P279P279-P281 WeakPolarHBondContact O-CD 3.33Å
282C81.9Confident84.1Confident74 Ų7485.2 Ų85.250%0.547%0.47SS..  trans-106.7135.1175.1-168.20000109.9R275 T276 D280R275-C282 WeakPolarHBondContact CA-O 3.4Å; T276-C282 PolarHBondContact N-O 3.2Å; T276-C282 PolarHBondContact OG1-N 3.38Å; D280-C282 PolarHBondContact O-N 2.97Å
283D86Confident84.4Confident93 Ų9387.3 Ų87.350%0.49747%0.472SS..EExtended strand (participates in β ladder)trans-72.5128.3173.4-74.6-20.8000109.6R275R275-D283 WeakPolarHBondContact CG-OD1 3.12Å; R275-D283 IonicContact CZ-OD1 2.84Å; R275-D283 IonicContact NE-OD1 3.63Å; R275-D283 PolarHBondContact NE-OD1 3.22Å; R275-D283 IonicContact NH2-OD1 2.75Å
284L85.2Confident84.7Confident46 Ų4691.5 Ų91.524%0.24149%0.485CS..EExtended strand (participates in β ladder)trans-109144.9-179.4-62.3175.4000111.1Y274 T276 E288 V289 L823Y274-L284 PolarHBondContact O-N 3.17Å; T276-L284 HydrophobicContact CG2-CD1 3.9Å; T276-L284 HydrophobicContact CG2-CD2 4.39Å; T276-L284 HydrophobicContact CG2-CG 4.23Å; L284-E288 WeakPolarHBondContact CD2-OE2 3.38Å; L284-V289 HydrophobicContact CB-CG2 4.36Å; L284-V289 HydrophobicContact CD1-CG2 4.45Å; L284-L823 HydrophobicContact CD1-CD1 4.2Å; L284-L823 HydrophobicContact CD1-CD2 4.12Å
285N85.5Confident85Confident100 Ų10097.6 Ų97.654%0.53551%0.509SS..  trans-76.1151.5170.5-66.1-55.5000110.8S287 E288N285-S287 PolarHBondContact O-N 3.26Å; N285-E288 HydrophobicContact CB-CG 4.34Å; N285-E288 PolarHBondContact N-OE2 3.41Å; N285-E288 PolarHBondContact ND2-OE1 2.77Å; N285-E288 WeakPolarHBondContact O-CB 3.34Å; N285-E288 PolarHBondContact O-N 3.19Å
286S84.9Confident85.4Confident84 Ų8496.6 Ų96.659%0.58753%0.528SS*.THydrogen-bonded Turntrans-59.1-22.8177.9-171.20000113.7E288S286-E288 VanDerWaalsContact C-N 3.35Å
287S85.5Confident85.7Confident111 Ų11199.3 Ų99.378%0.77656%0.561SS**THydrogen-bonded Turntrans-77.2-18.6176.353.10000113.9N285 V289N285-S287 PolarHBondContact O-N 3.26Å; S287-V289 VanDerWaalsContact C-N 3.34Å
288E85.2Confident86.3Confident112 Ų11298.2 Ų98.252%0.52356%0.561SS.*SBendtrans-90-6.5179.9-65.8162.4-158.400111.8L284 N285 S286L284-E288 WeakPolarHBondContact CD2-OE2 3.38Å; N285-E288 HydrophobicContact CB-CG 4.34Å; N285-E288 PolarHBondContact N-OE2 3.41Å; N285-E288 PolarHBondContact ND2-OE1 2.77Å; N285-E288 WeakPolarHBondContact O-CB 3.34Å; N285-E288 PolarHBondContact O-N 3.19Å; S286-E288 VanDerWaalsContact C-N 3.35Å
289V86.8Confident86.9Confident47 Ų4798.4 Ų98.429%0.28556%0.564SS.*  trans-102.7125.5-179-177.50000109.5Y274 L284 S287 L823Y274-V289 HydrophobicContact CD1-CG2 4.2Å; Y274-V289 HydrophobicContact CD2-CG2 4.29Å; Y274-V289 HydrophobicContact CG-CG2 3.9Å; L284-V289 HydrophobicContact CB-CG2 4.36Å; L284-V289 HydrophobicContact CD1-CG2 4.45Å; S287-V289 VanDerWaalsContact C-N 3.34Å; V289-L823 HydrophobicContact CG1-CD1 4.24Å; V289-L823 HydrophobicContact CG2-CD1 4.21Å
290T87.8Confident87.6Confident87 Ų8795.4 Ų95.453%0.53454%0.543SS..  trans-111.7154.5169.3-168.60000110.5P301T290-P301 HydrophobicContact CG2-CB 3.91Å
291R87.9Confident88.1Confident162 Ų16293 Ų9361%0.61154%0.536SS*.  trans-69.8140.7172.9-69.9-175.3-178.1173.35.2109.2F302R291-F302 CarbonylContact O-C 3.58Å; R291-F302 PolarHBondContact O-N 3.21Å; R291-F302 VanDerWaalsContact O-O 3.13Å
292G89Confident88.5Confident41 Ų4191.1 Ų91.142%0.42352%0.519SS..EExtended strand (participates in β ladder)trans-133143.9174.300000110.4V300G292-V300 CarbonylContact C-O 3.55Å; G292-V300 VanDerWaalsContact CA-O 3.24Å; G292-V300 WeakPolarHBondContact CA-O 3.22Å
293Y90.7Very high88.8Confident102 Ų10288.4 Ų88.440%0.450%0.503SS..EExtended strand (participates in β ladder)trans-112.3140.2176.3-61.3-91.4000109.3Y295 V300 F302 M307Y293-Y295 PolarHBondContact O-N 3.45Å; Y293-V300 PolarHBondContact N-O 2.98Å; Y293-V300 PolarHBondContact O-N 3.43Å; Y293-F302 HydrophobicContact CD2-CB 3.65Å; Y293-F302 HydrophobicContact CD2-CD1 4.37Å; Y293-F302 HydrophobicContact CD2-CG 4.33Å; Y293-F302 HydrophobicContact CE2-CB 3.83Å; Y293-F302 HydrophobicContact CE2-CD1 4Å; Y293-F302 HydrophobicContact CE2-CG 4.34Å; Y293-M307 HydrophobicContact CE2-SD 4.3Å; Y293-M307 WeakPolarHBondContact OH-CE 3.45Å
294R92.6Very high88.8Confident182 Ų18290.9 Ų90.969%0.68751%0.511SS*.EExtended strand (participates in β ladder)trans-78.7122.4172.5-75.1-176.4173.9-176.9-1.5109.4T298 V299R294-T298 WeakPolarHBondContact CA-O 2.73Å; R294-V299 HydrophobicContact CG-CG2 4.1Å
295Y91.7Very high88.8Confident192 Ų19296.9 Ų96.975%0.75354%0.538SS*.EExtended strand (participates in β ladder)trans-116.399.7169.7-173-101.1000108.5Y293 G297 T298Y293-Y295 PolarHBondContact O-N 3.45Å; Y295-G297 PolarHBondContact O-N 2.78Å; Y295-T298 PolarHBondContact N-O 3.45Å; Y295-T298 PolarHBondContact O-N 3.3Å
296G92.3Very high89Confident72 Ų7295.5 Ų95.574%0.74253%0.531SS*.THydrogen-bonded Turntrans63.7-124.3-167.700000111.2
297G90.6Very high88.9Confident82 Ų8295.8 Ų95.885%0.84552%0.524SS*.THydrogen-bonded Turntrans-87.1-8.3177.700000115.1Y295Y295-G297 PolarHBondContact O-N 2.78Å
298T92.1Very high88.8Confident81 Ų8194 Ų9450%0.49752%0.516SS..EExtended strand (participates in β ladder)trans-103.9139.8-173.4-56.50000111R294 Y295R294-T298 WeakPolarHBondContact CA-O 2.73Å; Y295-T298 PolarHBondContact N-O 3.45Å; Y295-T298 PolarHBondContact O-N 3.3Å
299V91.3Very high88.7Confident48 Ų4893.1 Ų93.129%0.29152%0.522SS..EExtended strand (participates in β ladder)trans-90.7116.1172.1-177.40000108.6R294R294-V299 HydrophobicContact CG-CG2 4.1Å
300V92.3Very high88.5Confident62 Ų6296.4 Ų96.438%0.37654%0.537SS..EExtended strand (participates in β ladder)trans-97.8114.5178-177.60000108.6G292 Y293 F302G292-V300 CarbonylContact C-O 3.55Å; G292-V300 VanDerWaalsContact CA-O 3.24Å; G292-V300 WeakPolarHBondContact CA-O 3.22Å; Y293-V300 PolarHBondContact N-O 2.98Å; Y293-V300 PolarHBondContact O-N 3.43Å; V300-F302 PolarHBondContact O-N 3.21Å
301P90.9Very high87.9Confident90 Ų9097.6 Ų97.658%0.58453%0.534SS*.EExtended strand (participates in β ladder)trans-66.1131.917328.2-32.7000109.3T290T290-P301 HydrophobicContact CG2-CB 3.91Å
302F87.9Confident87.1Confident46 Ų4694.5 Ų94.520%0.20254%0.535CS..  trans-148106-175.1-156.5-103.7000109.9R291 Y293 V300 D306 M307 I310R291-F302 CarbonylContact O-C 3.58Å; R291-F302 PolarHBondContact O-N 3.21Å; R291-F302 VanDerWaalsContact O-O 3.13Å; Y293-F302 HydrophobicContact CD2-CB 3.65Å; Y293-F302 HydrophobicContact CD2-CD1 4.37Å; Y293-F302 HydrophobicContact CD2-CG 4.33Å; Y293-F302 HydrophobicContact CE2-CB 3.83Å; Y293-F302 HydrophobicContact CE2-CD1 4Å; Y293-F302 HydrophobicContact CE2-CG 4.34Å; V300-F302 PolarHBondContact O-N 3.21Å; F302-D306 HydrophobicContact CD1-CB 4.09Å; F302-D306 HydrophobicContact CD2-CB 3.83Å; F302-D306 HydrophobicContact CE1-CB 3.7Å; F302-D306 HydrophobicContact CE2-CB 3.42Å; F302-D306 VanDerWaalsContact CE2-CB 3.42Å; F302-D306 HydrophobicContact CG-CB 4.12Å; F302-D306 HydrophobicContact CZ-CB 3.31Å; F302-M307 HydrophobicContact CD1-CG 3.54Å; F302-M307 HydrophobicContact CD1-SD 3.45Å; F302-M307 WeakPolarHBondContact CD1-SD 3.41Å; F302-M307 HydrophobicContact CE1-CB 4.18Å; F302-M307 HydrophobicContact CE1-CG 3.53Å; F302-M307 HydrophobicContact CE1-SD 3.33Å; F302-M307 WeakPolarHBondContact CE1-SD 3.18Å; F302-I310 HydrophobicContact CE1-CD1 4.37Å; F302-I310 HydrophobicContact CE2-CD1 4.1Å; F302-I310 HydrophobicContact CZ-CD1 3.43Å; F302-I310 VanDerWaalsContact CZ-CD1 3.43Å; F302-I310 HydrophobicContact CZ-CG1 4.18Å
303G88.2Confident86.2Confident16 Ų1698.2 Ų98.217%0.16555%0.552CS.*  trans-79.5176.7-172.500000113.7E305 D306 M307G303-E305 VanDerWaalsContact C-N 3.31Å; G303-E305 PolarHBondContact O-N 3.28Å; G303-D306 PolarHBondContact N-OD2 3.35Å; G303-D306 PolarHBondContact O-N 3.39Å; G303-M307 WeakPolarHBondContact O-CG 3.12Å; G303-M307 PolarHBondContact O-N 3.06Å; G303-M307 VanDerWaalsContact O-N 3.11Å
304E85.8Confident85.5Confident145 Ų14594 Ų9468%0.67854%0.538SS*.Hα-helixtrans-65.9-34.7174.7-62.5-170.2164.500112.1M307 A308E304-M307 PolarHBondContact O-N 3.34Å; E304-A308 WeakPolarHBondContact O-CB 3.09Å; E304-A308 PolarHBondContact O-N 3.44Å
305E86.3Confident85.2Confident172 Ų17292.9 Ų92.980%0.80454%0.54SS*.Hα-helixtrans-63.9-44.2176.2-62.2-178.1-179.300111.5G303 A308 S309G303-E305 VanDerWaalsContact C-N 3.31Å; G303-E305 PolarHBondContact O-N 3.28Å; E305-A308 PolarHBondContact O-N 2.77Å; E305-S309 PolarHBondContact O-N 3.01Å
306D88.4Confident85.3Confident72 Ų7288.2 Ų88.239%0.38552%0.524SS..Hα-helixtrans-64.7-44177.5-54.1-52.2000110.8F302 G303 A308 S309 I310F302-D306 HydrophobicContact CD1-CB 4.09Å; F302-D306 HydrophobicContact CD2-CB 3.83Å; F302-D306 HydrophobicContact CE1-CB 3.7Å; F302-D306 HydrophobicContact CE2-CB 3.42Å; F302-D306 VanDerWaalsContact CE2-CB 3.42Å; F302-D306 HydrophobicContact CG-CB 4.12Å; F302-D306 HydrophobicContact CZ-CB 3.31Å; G303-D306 PolarHBondContact N-OD2 3.35Å; G303-D306 PolarHBondContact O-N 3.39Å; D306-A308 VanDerWaalsContact C-N 3.33Å; D306-A308 PolarHBondContact O-N 3.49Å; D306-S309 PolarHBondContact O-N 3.37Å; D306-S309 VanDerWaalsContact O-N 3.16Å; D306-S309 PolarHBondContact O-OG 3.11Å; D306-I310 PolarHBondContact O-N 3.04Å
307M83.5Confident85.4Confident89 Ų8985.6 Ų85.644%0.43849%0.494SS..Hα-helixtrans-59.5-42.2174.8-72.5-70.4-82.100112.2Y293 F302 G303 E304 S309 I310 K311Y293-M307 HydrophobicContact CE2-SD 4.3Å; Y293-M307 WeakPolarHBondContact OH-CE 3.45Å; F302-M307 HydrophobicContact CD1-CG 3.54Å; F302-M307 HydrophobicContact CD1-SD 3.45Å; F302-M307 WeakPolarHBondContact CD1-SD 3.41Å; F302-M307 HydrophobicContact CE1-CB 4.18Å; F302-M307 HydrophobicContact CE1-CG 3.53Å; F302-M307 HydrophobicContact CE1-SD 3.33Å; F302-M307 WeakPolarHBondContact CE1-SD 3.18Å; G303-M307 WeakPolarHBondContact O-CG 3.12Å; G303-M307 PolarHBondContact O-N 3.06Å; G303-M307 VanDerWaalsContact O-N 3.11Å; E304-M307 PolarHBondContact O-N 3.34Å; M307-S309 VanDerWaalsContact C-N 3.3Å; M307-S309 PolarHBondContact O-N 3.07Å; M307-I310 PolarHBondContact O-N 3.32Å; M307-K311 WeakPolarHBondContact O-CB 3.49Å; M307-K311 PolarHBondContact O-N 3.42Å; M307-K311 VanDerWaalsContact O-N 3.08Å
308A83.4Confident85.6Confident73 Ų7381.8 Ų81.860%0.60345%0.454SS*.Hα-helixtrans-66.5-32.9177.600000112.2E304 E305 D306E304-A308 WeakPolarHBondContact O-CB 3.09Å; E304-A308 PolarHBondContact O-N 3.44Å; E305-A308 PolarHBondContact O-N 2.77Å; D306-A308 VanDerWaalsContact C-N 3.33Å; D306-A308 PolarHBondContact O-N 3.49Å
309S84Confident85.8Confident94 Ų9479.1 Ų79.166%0.65744%0.439SS*.Hα-helixtrans-71.3-32.8178.778.50000113.8E305 D306 M307E305-S309 PolarHBondContact O-N 3.01Å; D306-S309 PolarHBondContact O-N 3.37Å; D306-S309 VanDerWaalsContact O-N 3.16Å; D306-S309 PolarHBondContact O-OG 3.11Å; M307-S309 VanDerWaalsContact C-N 3.3Å; M307-S309 PolarHBondContact O-N 3.07Å
310I82.5Confident86.1Confident117 Ų11777.7 Ų77.760%0.643%0.43SS*.Hα-helixtrans-87-35.3-178.4-63-171.4000111.8F302 D306 M307 P312F302-I310 HydrophobicContact CE1-CD1 4.37Å; F302-I310 HydrophobicContact CE2-CD1 4.1Å; F302-I310 HydrophobicContact CZ-CD1 3.43Å; F302-I310 VanDerWaalsContact CZ-CD1 3.43Å; F302-I310 HydrophobicContact CZ-CG1 4.18Å; D306-I310 PolarHBondContact O-N 3.04Å; M307-I310 PolarHBondContact O-N 3.32Å; I310-P312 VanDerWaalsContact O-CD 3.29Å; I310-P312 WeakPolarHBondContact O-CD 3.39Å; I310-P312 VanDerWaalsContact O-N 3.09Å
311K74.6Confident86.3Confident111 Ų11179.8 Ų79.848%0.48344%0.438SS..SBendtrans-63.4115.8-176.1-171.3173.9179.4178.90109.2M307 P387M307-K311 WeakPolarHBondContact O-CB 3.49Å; M307-K311 PolarHBondContact O-N 3.42Å; M307-K311 VanDerWaalsContact O-N 3.08Å; K311-P387 PolarHBondContact NZ-O 2.89Å
312P70.9Confident86.6Confident97 Ų9776.7 Ų76.763%0.6342%0.422SS*.  trans-62.1143.8-178.625.4-33.4000109.6I310 S314I310-P312 VanDerWaalsContact O-CD 3.29Å; I310-P312 WeakPolarHBondContact O-CD 3.39Å; I310-P312 VanDerWaalsContact O-N 3.09Å; P312-S314 VanDerWaalsContact C-N 3.33Å; P312-S314 PolarHBondContact O-N 3.03Å
313P70.9Confident87.1Confident120 Ų12079.7 Ų79.778%0.77944%0.436SS*.  trans-64.297.6171.827-32.7000108.2
314S76.4Confident87.5Confident14 Ų1480.7 Ų80.710%0.09844%0.438CS..PPolyproline II helixtrans-84.4120.4175.447.10000109P312 Q386 S388P312-S314 VanDerWaalsContact C-N 3.33Å; P312-S314 PolarHBondContact O-N 3.03Å; S314-Q386 VanDerWaalsContact O-CA 3.28Å; S314-Q386 WeakPolarHBondContact O-CA 3.4Å; S314-Q386 PolarHBondContact OG-O 2.7Å; S314-S388 PolarHBondContact OG-O 2.82Å
315E86.4Confident88Confident157 Ų15775.9 Ų75.973%0.73442%0.421SS*.PPolyproline II helixtrans-88.6152.2169.4-67-173.7174.200110.5C317 V383E315-C317 PolarHBondContact O-N 3.16Å; E315-C317 VanDerWaalsContact O-N 3.17Å; E315-V383 WeakPolarHBondContact O-CB 2.97Å; E315-V383 VanDerWaalsContact O-CG1 3.28Å; E315-V383 WeakPolarHBondContact O-CG1 3.47Å
316K93.7Very high88.4Confident95 Ų9569.6 Ų69.641%0.41340%0.399SS..PPolyproline II helixtrans-56.2120.8173.1173.3176.4170.7169.20109.3W228 N229 V230 V383W228-K316 HydrophobicContact CZ2-CD 4.44Å; W228-K316 HydrophobicContact CZ2-CG 4.03Å; N229-K316 WeakPolarHBondContact O-CE 3.25Å; N229-K316 PolarHBondContact O-NZ 2.76Å; V230-K316 HydrophobicContact CG2-CG 4.45Å; K316-V383 WeakPolarHBondContact CA-O 3.28Å
317C92.9Very high88.7Confident16 Ų1673 Ų7311%0.10842%0.417CS..EExtended strand (participates in β ladder)trans-146.7154.3-177.8770000112.3E315 R381 V383E315-C317 PolarHBondContact O-N 3.16Å; E315-C317 VanDerWaalsContact O-N 3.17Å; C317-R381 PolarHBondContact SG-NH1 3.25Å; C317-V383 PolarHBondContact N-O 3.27Å; C317-V383 VanDerWaalsContact N-O 3.15Å; C317-V383 PolarHBondContact O-N 2.99Å; C317-V383 WeakPolarHBondContact SG-CG2 3.29Å
318F96.3Very high89.3Confident2 Ų273.8 Ų73.81%0.00942%0.423CS..EExtended strand (participates in β ladder)trans-144.487.7170.3-166.4-132.7000108.5W228 V230 L232 Q233 V242 F342 V380 R381 R382 L395 Y408W228-F318 HydrophobicContact CH2-CB 4.18Å; W228-F318 HydrophobicContact CH2-CD2 4.45Å; W228-F318 HydrophobicContact CH2-CG 4.47Å; W228-F318 HydrophobicContact CZ3-CB 4.47Å; W228-F318 HydrophobicContact CZ3-CD2 4.28Å; W228-F318 HydrophobicContact CZ3-CG 4.33Å; V230-F318 HydrophobicContact CB-CB 4.36Å; V230-F318 HydrophobicContact CG1-CB 3.85Å; V230-F318 HydrophobicContact CG1-CD1 3.89Å; V230-F318 HydrophobicContact CG1-CG 4.1Å; V230-F318 HydrophobicContact CG2-CB 3.56Å; L232-F318 CarbonylContact C-O 3.52Å; L232-F318 VanDerWaalsContact CA-O 3.31Å; L232-F318 WeakPolarHBondContact CA-O 3.45Å; L232-F318 HydrophobicContact CB-CD1 4.06Å; L232-F318 HydrophobicContact CD1-CD1 3.61Å; L232-F318 HydrophobicContact CD1-CE1 3.72Å; L232-F318 HydrophobicContact CD1-CG 4.33Å; L232-F318 HydrophobicContact CG-CD1 4.43Å; Q233-F318 PolarHBondContact N-O 3.19Å; V242-F318 HydrophobicContact CG2-CD1 4.11Å; V242-F318 HydrophobicContact CG2-CE1 4.3Å; F318-F342 HydrophobicContact CD1-CE1 4.11Å; F318-F342 HydrophobicContact CD1-CZ 4.39Å; F318-F342 AromaticContact CE1-CD1 3.84Å; F318-F342 HydrophobicContact CE1-CD1 3.84Å; F318-F342 HydrophobicContact CE1-CD2 4.17Å; F318-F342 AromaticContact CE1-CE1 3.66Å; F318-F342 HydrophobicContact CE1-CE1 3.66Å; F318-F342 HydrophobicContact CE1-CE2 4.01Å; F318-F342 HydrophobicContact CE1-CG 4.09Å; F318-F342 AromaticContact CE1-CZ 3.76Å; F318-F342 HydrophobicContact CE1-CZ 3.76Å; F318-F342 HydrophobicContact CE2-CE2 4.17Å; F318-F342 HydrophobicContact CE2-CZ 4.01Å; F318-F342 HydrophobicContact CZ-CD1 4.33Å; F318-F342 AromaticContact CZ-CD2 3.92Å; F318-F342 HydrophobicContact CZ-CD2 3.92Å; F318-F342 AromaticContact CZ-CE1 3.96Å; F318-F342 HydrophobicContact CZ-CE1 3.96Å; F318-F342 AromaticContact CZ-CE2 3.51Å; F318-F342 HydrophobicContact CZ-CE2 3.51Å; F318-F342 HydrophobicContact CZ-CG 4.31Å; F318-F342 AromaticContact CZ-CZ 3.53Å; F318-F342 HydrophobicContact CZ-CZ 3.53Å; F318-V380 HydrophobicContact CE2-CB 4.14Å; F318-V380 HydrophobicContact CE2-CG1 4.47Å; F318-V380 HydrophobicContact CE2-CG2 3.95Å; F318-V380 HydrophobicContact CZ-CG2 4.46Å; F318-R381 WeakPolarHBondContact CA-O 2.8Å; F318-R382 HydrophobicContact CD2-CB 4.18Å; F318-R382 HydrophobicContact CD2-CG 4.25Å; F318-R382 HydrophobicContact CE2-CB 4.45Å; F318-L395 HydrophobicContact CE1-CD1 4.23Å; F318-L395 HydrophobicContact CZ-CD1 3.95Å; F318-L395 HydrophobicContact CZ-CD2 3.81Å; F318-L395 HydrophobicContact CZ-CG 4.23Å; F318-Y408 AromaticContact CE2-CD2 3.76Å; F318-Y408 HydrophobicContact CE2-CD2 3.76Å; F318-Y408 AromaticContact CE2-CE2 3.97Å; F318-Y408 HydrophobicContact CE2-CE2 3.97Å; F318-Y408 HydrophobicContact CZ-CD2 4.12Å
319S95.9Very high89.8Confident25 Ų2570.9 Ų70.918%0.17540%0.397CS..EExtended strand (participates in β ladder)trans-120.2129.4-167.8580000110.8Q233 I321 V380 R381Q233-S319 WeakPolarHBondContact O-CA 3.27Å; S319-I321 PolarHBondContact O-N 3.33Å; S319-V380 WeakPolarHBondContact O-CA 3.39Å; S319-R381 PolarHBondContact N-O 3.34Å; S319-R381 PolarHBondContact O-N 3.48Å
320V97.6Very high90.2Very high19 Ų1968.9 Ų68.912%0.11538%0.382CS..EExtended strand (participates in β ladder)trans-68.6126.6172.4179.30000109.4L232 Q233 I234 F323 A378 L379 V380L232-V320 HydrophobicContact CD1-CG2 3.79Å; L232-V320 HydrophobicContact CG-CG2 4.46Å; Q233-V320 PolarHBondContact O-N 3Å; I234-V320 HydrophobicContact CG1-CB 4.37Å; I234-V320 HydrophobicContact CG1-CG2 3.85Å; V320-F323 HydrophobicContact CG1-CE1 4.14Å; V320-F323 HydrophobicContact CG1-CE2 4.06Å; V320-F323 HydrophobicContact CG1-CZ 3.81Å; V320-A378 HydrophobicContact CG1-CB 4.34Å; V320-L379 CarbonylContact C-O 3.6Å; V320-L379 WeakPolarHBondContact CA-O 3.2Å; V320-V380 HydrophobicContact CB-CG1 4.48Å; V320-V380 HydrophobicContact CG2-CG1 3.89Å
321I96.6Very high90.6Very high105 Ų10570.5 Ų70.554%0.53839%0.387SS..EExtended strand (participates in β ladder)trans-85.5-42.7174.1-59.3172.3000109.5S319 L379 R381 L392S319-I321 PolarHBondContact O-N 3.33Å; I321-L379 HydrophobicContact CB-CB 4.31Å; I321-L379 PolarHBondContact N-O 3.42Å; I321-R381 HydrophobicContact CD1-CB 4.08Å; I321-R381 HydrophobicContact CG1-CB 4.2Å; I321-L392 HydrophobicContact CD1-CD1 3.25Å
322G96.7Very high91.4Very high25 Ų2571.1 Ų71.126%0.25840%0.395SS..EExtended strand (participates in β ladder)trans-179.7-177.3-178.900000112.1L379G322-L379 PolarHBondContact O-N 3.48Å
323F97.3Very high92.4Very high110 Ų11069.8 Ų69.848%0.48238%0.38SS..EExtended strand (participates in β ladder)trans-122.5147.4178.9-57.9-82.1000109.6I234 V320 L367 L371 V377 A378I234-F323 HydrophobicContact CG2-CE2 4.37Å; I234-F323 HydrophobicContact CG2-CZ 4.23Å; V320-F323 HydrophobicContact CG1-CE1 4.14Å; V320-F323 HydrophobicContact CG1-CE2 4.06Å; V320-F323 HydrophobicContact CG1-CZ 3.81Å; F323-L367 HydrophobicContact CE1-CD1 4.17Å; F323-L367 HydrophobicContact CZ-CD1 4.36Å; F323-L371 HydrophobicContact CD1-CD2 3.72Å; F323-L371 HydrophobicContact CE1-CD2 4.06Å; F323-V377 WeakPolarHBondContact CA-O 3.36Å; F323-A378 HydrophobicContact CD1-CB 3.57Å; F323-A378 HydrophobicContact CE1-CB 3.49Å; F323-A378 VanDerWaalsContact CE1-CB 3.49Å
324T97.2Very high93.5Very high36 Ų3667.8 Ų67.822%0.22136%0.357CS..EExtended strand (participates in β ladder)trans-147.8163.4178.4-170.10000109.8N328 I329 G376 V377 L379T324-N328 HydrophobicContact CG2-CB 4.43Å; T324-N328 WeakPolarHBondContact OG1-CB 3.33Å; T324-N328 PolarHBondContact OG1-ND2 2.93Å; T324-I329 HydrophobicContact CG2-CD1 3.8Å; T324-I329 HydrophobicContact CG2-CG1 4Å; T324-G376 CarbonylContact O-C 3.58Å; T324-G376 VanDerWaalsContact O-CA 3.31Å; T324-G376 WeakPolarHBondContact O-CA 3.38Å; T324-V377 HydrophobicContact CG2-CG2 3.63Å; T324-V377 PolarHBondContact N-O 3.13Å; T324-V377 PolarHBondContact O-N 3.02Å; T324-L379 HydrophobicContact CG2-CD1 4.48Å; T324-L379 HydrophobicContact CG2-CG 4.37Å
325S97Very high94.3Very high44 Ų4469.6 Ų69.631%0.30837%0.367SS..EExtended strand (participates in β ladder)trans-64144.4169.8169.50000110.1D327 N328S325-D327 PolarHBondContact O-N 3.46Å; S325-D327 PolarHBondContact OG-N 3.48Å; S325-N328 WeakPolarHBondContact O-CB 3.48Å; S325-N328 PolarHBondContact O-N 3.44Å; S325-N328 VanDerWaalsContact O-N 3.1Å
326A94.9Very high94.4Very high41 Ų4164.8 Ų64.834%0.33936%0.36SS..G310 helixtrans-54.8-35.3176.100000112.4N328 I329 S375 V377A326-N328 PolarHBondContact O-N 3.47Å; A326-N328 VanDerWaalsContact O-N 3.15Å; A326-I329 PolarHBondContact O-N 2.88Å; A326-S375 WeakPolarHBondContact CB-O 3.32Å; A326-S375 PolarHBondContact N-O 2.85Å; A326-V377 HydrophobicContact CB-CG1 3.98Å
327D95.2Very high94.2Very high144 Ų14467.2 Ų67.277%0.7737%0.373SS*.G310 helixtrans-61.6-23.8179.4-62.5-25.9000113.5S325 I329S325-D327 PolarHBondContact O-N 3.46Å; S325-D327 PolarHBondContact OG-N 3.48Å; D327-I329 PolarHBondContact O-N 2.93Å
328N95.3Very high94.2Very high104 Ų10467.9 Ų67.956%0.55638%0.377SS*.G310 helixtrans-77.3-8.1178.4-68.6-32.7000113.1T324 S325 A326 P330T324-N328 HydrophobicContact CG2-CB 4.43Å; T324-N328 WeakPolarHBondContact OG1-CB 3.33Å; T324-N328 PolarHBondContact OG1-ND2 2.93Å; S325-N328 WeakPolarHBondContact O-CB 3.48Å; S325-N328 PolarHBondContact O-N 3.44Å; S325-N328 VanDerWaalsContact O-N 3.1Å; A326-N328 PolarHBondContact O-N 3.47Å; A326-N328 VanDerWaalsContact O-N 3.15Å; N328-P330 WeakPolarHBondContact O-CD 3.32Å
329I93.6Very high94.1Very high13 Ų1369.2 Ų69.27%0.06739%0.386CS..SBendtrans-123.779.2179.5-49.4-174.4000109.3T324 A326 D327 F333 Y334 V377 L379 V394 I411T324-I329 HydrophobicContact CG2-CD1 3.8Å; T324-I329 HydrophobicContact CG2-CG1 4Å; A326-I329 PolarHBondContact O-N 2.88Å; D327-I329 PolarHBondContact O-N 2.93Å; I329-F333 HydrophobicContact CG2-CB 4.48Å; I329-Y334 HydrophobicContact CG2-CD1 4.46Å; I329-Y334 HydrophobicContact CG2-CE1 3.84Å; I329-V377 HydrophobicContact CD1-CG2 3.6Å; I329-V377 HydrophobicContact CG1-CG2 4.26Å; I329-L379 HydrophobicContact CD1-CD2 3.46Å; I329-L379 VanDerWaalsContact CD1-CD2 3.46Å; I329-L379 HydrophobicContact CD1-CG 4.41Å; I329-V394 HydrophobicContact CD1-CB 4.09Å; I329-V394 HydrophobicContact CD1-CG2 3.66Å; I329-I411 HydrophobicContact CG2-CG2 4.3Å
330P92.3Very high94.1Very high52 Ų5268.8 Ų68.834%0.33838%0.381SS..  trans-67.1154.2178.131.1-38.1000111.5N328 N332 F333N328-P330 WeakPolarHBondContact O-CD 3.32Å; P330-N332 WeakPolarHBondContact CB-OD1 3.3Å; P330-N332 WeakPolarHBondContact CG-OD1 3.44Å; P330-N332 PolarHBondContact O-N 2.99Å; P330-F333 HydrophobicContact CG-CD1 4.27Å; P330-F333 HydrophobicContact CG-CD2 4.13Å; P330-F333 HydrophobicContact CG-CE1 4.28Å; P330-F333 HydrophobicContact CG-CE2 4.14Å; P330-F333 HydrophobicContact CG-CG 4.2Å; P330-F333 HydrophobicContact CG-CZ 4.22Å; P330-F333 WeakPolarHBondContact O-CB 3.28Å; P330-F333 PolarHBondContact O-N 2.83Å
331H90.3Very high94Very high151 Ų15169 Ų6970%0.69938%0.383SS*.G310 helixtrans-56.9-27.2-174.8-80.7-141.7000114.1F333 Y334H331-F333 PolarHBondContact O-N 3.25Å; H331-Y334 AromaticContact CD2-CE2 3.98Å; H331-Y334 WeakPolarHBondContact O-CB 3.5Å; H331-Y334 PolarHBondContact O-N 3.02Å
332N91.3Very high93.9Very high124 Ų12464 Ų6466%0.66336%0.357SS*.G310 helixtrans-69.1-8.9177.365.8-53.4000113.7P330P330-N332 WeakPolarHBondContact CB-OD1 3.3Å; P330-N332 WeakPolarHBondContact CG-OD1 3.44Å; P330-N332 PolarHBondContact O-N 2.99Å
333F93.4Very high93.8Very high69 Ų6965.2 Ų65.230%0.30336%0.359SS..G310 helixtrans-86.8-11.8170.7-70.4-1.2000113I329 P330 H331 I411 A412 I417I329-F333 HydrophobicContact CG2-CB 4.48Å; P330-F333 HydrophobicContact CG-CD1 4.27Å; P330-F333 HydrophobicContact CG-CD2 4.13Å; P330-F333 HydrophobicContact CG-CE1 4.28Å; P330-F333 HydrophobicContact CG-CE2 4.14Å; P330-F333 HydrophobicContact CG-CG 4.2Å; P330-F333 HydrophobicContact CG-CZ 4.22Å; P330-F333 WeakPolarHBondContact O-CB 3.28Å; P330-F333 PolarHBondContact O-N 2.83Å; H331-F333 PolarHBondContact O-N 3.25Å; F333-I411 CarbonylContact O-C 3.26Å; F333-I411 WeakPolarHBondContact O-CA 3.27Å; F333-A412 PolarHBondContact O-N 3.15Å; F333-I417 HydrophobicContact CE1-CD1 4.21Å
334Y94.3Very high93.5Very high78 Ų7861 Ų6131%0.30634%0.344SS..EExtended strand (participates in β ladder)trans-69.3139.3178.7-63.5-9.2000110.6I329 H331 V394 T409 I411I329-Y334 HydrophobicContact CG2-CD1 4.46Å; I329-Y334 HydrophobicContact CG2-CE1 3.84Å; H331-Y334 AromaticContact CD2-CE2 3.98Å; H331-Y334 WeakPolarHBondContact O-CB 3.5Å; H331-Y334 PolarHBondContact O-N 3.02Å; Y334-V394 HydrophobicContact CE1-CG1 3.98Å; Y334-T409 HydrophobicContact CD1-CG2 4.01Å; Y334-T409 HydrophobicContact CD2-CG2 3.95Å; Y334-T409 HydrophobicContact CG-CG2 3.67Å; Y334-I411 HydrophobicContact CD1-CG2 4.24Å
335T93.1Very high93.1Very high51 Ų5162.5 Ų62.531%0.31335%0.349SS..EExtended strand (participates in β ladder)trans-138-178.5-179.261.20000109.7D410 A412T335-D410 PolarHBondContact N-O 3.41Å; T335-D410 PolarHBondContact OG1-O 3.27Å; T335-A412 HydrophobicContact CG2-CB 3.67Å
336G88.1Confident92Very high56 Ų5665.5 Ų65.558%0.57737%0.37SS*.EExtended strand (participates in β ladder)trans87.2169.8174.900000114
337E88.9Confident90.4Very high147 Ų14768.3 Ų68.369%0.68738%0.383SS*.EExtended strand (participates in β ladder)trans-102.5-1.7-174.2-62167.6-171.100112.6
338S92Very high88.5Confident29 Ų2970.8 Ų70.820%0.20339%0.387CS..EExtended strand (participates in β ladder)trans-152.3148.9-173.367.10000113.2I248I248-S338 CarbonylContact O-C 3.57Å; I248-S338 WeakPolarHBondContact O-CA 3.45Å; I248-S338 VanDerWaalsContact O-CB 3.31Å; I248-S338 WeakPolarHBondContact O-CB 3.36Å
339V94.9Very high86.2Confident31 Ų3174.1 Ų74.119%0.18840%0.399CS..EExtended strand (participates in β ladder)trans-110.8134.7170.8-1790000107.8Y247 I248 M407 Y408Y247-V339 HydrophobicContact CD1-CG1 4.47Å; Y247-V339 PolarHBondContact N-O 2.85Å; I248-V339 HydrophobicContact CB-CB 4.11Å; I248-V339 HydrophobicContact CB-CG2 4.25Å; I248-V339 HydrophobicContact CD1-CB 4.42Å; I248-V339 HydrophobicContact CD1-CG2 4.27Å; I248-V339 PolarHBondContact N-O 3.06Å; I248-V339 PolarHBondContact O-N 2.74Å; V339-M407 HydrophobicContact CG1-SD 4.12Å; V339-Y408 WeakPolarHBondContact CG1-O 3.4Å
340L95.7Very high83.8Confident15 Ų1577.4 Ų77.48%0.07942%0.423CS..EExtended strand (participates in β ladder)trans-108.9143.7177.6-51.8178.1000110.4Y245 T246 F342 R382 M407 Y408Y245-L340 CarbonylContact O-C 3.11Å; Y245-L340 WeakPolarHBondContact O-CA 3.26Å; T246-L340 HydrophobicContact CG2-CD2 4.46Å; L340-F342 HydrophobicContact CB-CD2 4.45Å; L340-F342 HydrophobicContact CB-CE2 3.89Å; L340-F342 HydrophobicContact CD1-CE2 4.17Å; L340-F342 HydrophobicContact CD1-CZ 4.15Å; L340-R382 VanDerWaalsContact CD1-NH1 3.28Å; L340-M407 CarbonylContact O-C 3.57Å; L340-M407 WeakPolarHBondContact O-CA 3.48Å; L340-Y408 HydrophobicContact CB-CD1 4.36Å; L340-Y408 HydrophobicContact CD1-CD1 4.16Å; L340-Y408 HydrophobicContact CG-CD1 4.21Å; L340-Y408 PolarHBondContact N-O 2.99Å; L340-Y408 PolarHBondContact O-N 2.97Å
341V95.3Very high81.8Confident23 Ų2383.4 Ų83.414%0.13945%0.447CS..EExtended strand (participates in β ladder)trans-106.3128.2170.162.70000109.1G244 Y245 M407G244-V341 CarbonylContact C-O 3.49Å; G244-V341 WeakPolarHBondContact CA-O 3.32Å; Y245-V341 PolarHBondContact N-O 2.88Å; Y245-V341 PolarHBondContact O-N 3.08Å; V341-M407 HydrophobicContact CB-CE 3.9Å; V341-M407 HydrophobicContact CB-SD 3.74Å; V341-M407 HydrophobicContact CG2-CE 3.82Å; V341-M407 HydrophobicContact CG2-SD 4.02Å
342F95.7Very high79.9Confident2 Ų283.6 Ų83.61%0.00945%0.453CS..EExtended strand (participates in β ladder)trans-105.4128.2178.3-75.4-89.4000111.1W228 V230 V242 V243 F318 L340 L395 L406 Y408W228-F342 AromaticContact CE3-CE1 3.76Å; W228-F342 HydrophobicContact CE3-CE1 3.76Å; W228-F342 AromaticContact CE3-CZ 3.76Å; W228-F342 HydrophobicContact CE3-CZ 3.76Å; W228-F342 AromaticContact CZ3-CE1 3.9Å; W228-F342 HydrophobicContact CZ3-CE1 3.9Å; W228-F342 AromaticContact CZ3-CZ 3.7Å; W228-F342 HydrophobicContact CZ3-CZ 3.7Å; V230-F342 HydrophobicContact CG1-CE1 3.92Å; V242-F342 HydrophobicContact CB-CD1 4.16Å; V242-F342 HydrophobicContact CG2-CD1 3.68Å; V242-F342 HydrophobicContact CG2-CE1 4.21Å; V243-F342 WeakPolarHBondContact O-CA 3.18Å; F318-F342 HydrophobicContact CD1-CE1 4.11Å; F318-F342 HydrophobicContact CD1-CZ 4.39Å; F318-F342 AromaticContact CE1-CD1 3.84Å; F318-F342 HydrophobicContact CE1-CD1 3.84Å; F318-F342 HydrophobicContact CE1-CD2 4.17Å; F318-F342 AromaticContact CE1-CE1 3.66Å; F318-F342 HydrophobicContact CE1-CE1 3.66Å; F318-F342 HydrophobicContact CE1-CE2 4.01Å; F318-F342 HydrophobicContact CE1-CG 4.09Å; F318-F342 AromaticContact CE1-CZ 3.76Å; F318-F342 HydrophobicContact CE1-CZ 3.76Å; F318-F342 HydrophobicContact CE2-CE2 4.17Å; F318-F342 HydrophobicContact CE2-CZ 4.01Å; F318-F342 HydrophobicContact CZ-CD1 4.33Å; F318-F342 AromaticContact CZ-CD2 3.92Å; F318-F342 HydrophobicContact CZ-CD2 3.92Å; F318-F342 AromaticContact CZ-CE1 3.96Å; F318-F342 HydrophobicContact CZ-CE1 3.96Å; F318-F342 AromaticContact CZ-CE2 3.51Å; F318-F342 HydrophobicContact CZ-CE2 3.51Å; F318-F342 HydrophobicContact CZ-CG 4.31Å; F318-F342 AromaticContact CZ-CZ 3.53Å; F318-F342 HydrophobicContact CZ-CZ 3.53Å; L340-F342 HydrophobicContact CB-CD2 4.45Å; L340-F342 HydrophobicContact CB-CE2 3.89Å; L340-F342 HydrophobicContact CD1-CE2 4.17Å; L340-F342 HydrophobicContact CD1-CZ 4.15Å; F342-L395 HydrophobicContact CD2-CD2 4.12Å; F342-L406 HydrophobicContact CB-CB 4.35Å; F342-L406 PolarHBondContact N-O 3.18Å; F342-L406 PolarHBondContact O-N 3.04Å; F342-L406 VanDerWaalsContact O-N 3.13Å; F342-Y408 HydrophobicContact CE2-CD2 4.42Å; F342-Y408 HydrophobicContact CE2-CG 4.02Å
343V93.7Very high77.9Confident49 Ų4984.5 Ų84.530%0.29746%0.458SS..EExtended strand (participates in β ladder)trans-123.6159.4174.5-61.50000110.3V242 V243 Y245V242-V343 CarbonylContact C-O 3.57Å; V242-V343 WeakPolarHBondContact CA-O 3.11Å; V243-V343 HydrophobicContact CB-CG2 4.42Å; V243-V343 PolarHBondContact N-O 3.11Å; V243-V343 PolarHBondContact O-N 2.9Å; Y245-V343 HydrophobicContact CD2-CG2 4.05Å; Y245-V343 HydrophobicContact CE2-CG2 3.61Å
344A92.1Very high75.9Confident21 Ų2187.2 Ų87.217%0.17448%0.48CS..EExtended strand (participates in β ladder)trans-68.8142.7179.900000111S346 C360 P361 L364A344-S346 PolarHBondContact O-N 2.88Å; A344-C360 HydrophobicContact CB-CB 4.43Å; A344-P361 VanDerWaalsContact CB-CA 3.45Å; A344-P361 HydrophobicContact CB-CB 4.13Å; A344-P361 HydrophobicContact CB-CG 3.95Å; A344-L364 HydrophobicContact CB-CB 4.19Å; A344-L364 HydrophobicContact CB-CD2 3.91Å
345Q87.4Confident73.7Confident68 Ų6889.3 Ų89.332%0.31850%0.501SS..  trans-70.2114.4175.5-170.5174.37.800110.3P241 V243 V347P241-Q345 HydrophobicContact CB-CB 4.05Å; P241-Q345 PolarHBondContact O-N 2.83Å; P241-Q345 VanDerWaalsContact O-N 3.1Å; V243-Q345 HydrophobicContact CG2-CB 3.96Å; V243-Q345 HydrophobicContact CG2-CG 4.02Å; Q345-V347 PolarHBondContact O-N 3.48Å
346S73.7Confident71.6Confident108 Ų10894.8 Ų94.876%0.75553%0.528SS*.  trans-76.7104.3172.7-1780000110A344A344-S346 PolarHBondContact O-N 2.88Å
347V62.8Low70Confident99 Ų99102.9 Ų102.960%0.654%0.541SS*.  trans-79.9125.4168.1-176.50000107.5Q345 Q349Q345-V347 PolarHBondContact O-N 3.48Å; V347-Q349 PolarHBondContact O-N 2.98Å
348K55Low68.5Low196 Ų196100.6 Ų100.685%0.85254%0.539SS*.  trans-60.7108.3165.4-69.8-174.9179-174.50106.3S350K348-S350 PolarHBondContact O-N 3.09Å
349Q46.6Very low67.8Low175 Ų175102 Ų10282%0.81855%0.549SS*.  trans-57.4106.6178.5-68.3176.1-5.900108.1V347V347-Q349 PolarHBondContact O-N 2.98Å
350S43.5Very low67.3Low82 Ų82101.9 Ų101.957%0.57355%0.549SS*.  trans-70.6131.9151.546.70000106.3K348 D352K348-S350 PolarHBondContact O-N 3.09Å; S350-D352 PolarHBondContact O-N 3.22Å
351E49.1Very low67Low178 Ų178104.1 Ų104.183%0.83257%0.565SS**THydrogen-bonded Turntrans-58.5-6.4-171.9-64.5-176.3149.200115.1V354E351-V354 WeakPolarHBondContact O-CG2 3.32Å
352D50.7Low66.8Low154 Ų154107.3 Ų107.382%0.82458%0.584SS**THydrogen-bonded Turntrans-92.2-6.2-167.8-68.9-35.3000116.5S350S350-D352 PolarHBondContact O-N 3.22Å
353D50.7Low66.6Low143 Ų143108.6 Ų108.677%0.76560%0.595SS**  trans-11435.4-173.5-104.7-12.7000114.4T355D353-T355 PolarHBondContact O-N 2.73Å; D353-T355 VanDerWaalsContact O-N 3.11Å
354V51.4Low66.6Low127 Ų127106.4 Ų106.477%0.7758%0.582SS**  trans-78.814.8-170.5-179.10000114.5E351E351-V354 WeakPolarHBondContact O-CG2 3.32Å
355T46.9Very low66.6Low122 Ų122106.8 Ų106.875%0.74859%0.585SS**SBendtrans-105.5100.2-176.458.30000113.2D353 R357D353-T355 PolarHBondContact O-N 2.73Å; D353-T355 VanDerWaalsContact O-N 3.11Å; T355-R357 PolarHBondContact O-N 3.23Å
356N50.2Low66.9Low166 Ų166106.5 Ų106.589%0.88859%0.594SS**SBendtrans7213.7158.5-64.6-30.5000121.2
357R52.8Low67.9Low226 Ų226102.5 Ų102.585%0.85356%0.564SS**PPolyproline II helixtrans-93.4127.5174-135.1180-155.1-178.36.6111.7T355 S359T355-R357 PolarHBondContact O-N 3.23Å; R357-S359 PolarHBondContact O-N 2.69Å
358P57.3Low69.4Low98 Ų9897.8 Ų97.864%0.63654%0.536SS*.PPolyproline II helixtrans-58.9133.5169.724-31.6000109.2C360P358-C360 PolarHBondContact O-N 3.14Å
359S77.4Confident71.2Confident59 Ų5991.8 Ų91.841%0.41351%0.511SS..PPolyproline II helixtrans-58.5129.3177.4-164.20000108.8R357 P361 T362 A363R357-S359 PolarHBondContact O-N 2.69Å; S359-P361 VanDerWaalsContact C-CD 3.41Å; S359-P361 VanDerWaalsContact C-N 3.27Å; S359-P361 WeakPolarHBondContact OG-CD 3.42Å; S359-T362 WeakPolarHBondContact O-CA 3.46Å; S359-T362 WeakPolarHBondContact O-CB 3.35Å; S359-T362 PolarHBondContact O-N 3.26Å; S359-A363 PolarHBondContact O-N 2.73Å; S359-A363 VanDerWaalsContact O-N 3.12Å
360C85.2Confident73.5Confident28 Ų2885.8 Ų85.819%0.18949%0.491CS..Hα-helixtrans-50.9-41-178.6-57.30000113A344 P358 T362 A363 L364A344-C360 HydrophobicContact CB-CB 4.43Å; P358-C360 PolarHBondContact O-N 3.14Å; C360-T362 PolarHBondContact O-N 2.97Å; C360-A363 PolarHBondContact O-N 3.15Å; C360-L364 PolarHBondContact O-N 3.16Å
361P89.4Confident76.1Confident62 Ų6282.4 Ų82.440%0.40347%0.467SS..Hα-helixtrans-55.2-44.8170.9-27.334.9000114.2A344 S359 A363 L364 A365A344-P361 VanDerWaalsContact CB-CA 3.45Å; A344-P361 HydrophobicContact CB-CB 4.13Å; A344-P361 HydrophobicContact CB-CG 3.95Å; S359-P361 VanDerWaalsContact C-CD 3.41Å; S359-P361 VanDerWaalsContact C-N 3.27Å; S359-P361 WeakPolarHBondContact OG-CD 3.42Å; P361-A363 VanDerWaalsContact C-N 3.35Å; P361-A363 PolarHBondContact O-N 2.98Å; P361-L364 PolarHBondContact O-N 2.73Å; P361-A365 WeakPolarHBondContact O-CB 2.95Å; P361-A365 PolarHBondContact O-N 2.86Å
362T90.7Very high78.3Confident90 Ų9078.2 Ų78.255%0.55244%0.444SS*.Hα-helixtrans-65-39.7179.4-50.40000111.5S359 C360 A366S359-T362 WeakPolarHBondContact O-CA 3.46Å; S359-T362 WeakPolarHBondContact O-CB 3.35Å; S359-T362 PolarHBondContact O-N 3.26Å; C360-T362 PolarHBondContact O-N 2.97Å; T362-A366 VanDerWaalsContact O-CB 3.27Å; T362-A366 WeakPolarHBondContact O-CB 3.39Å; T362-A366 PolarHBondContact O-N 2.99Å
363A91.9Very high80.4Confident29 Ų2977.4 Ų77.424%0.2444%0.435CS..Hα-helixtrans-66.2-43.1177.900000112.1I240 S359 C360 P361 L367I240-A363 HydrophobicContact CD1-CB 3.98Å; I240-A363 HydrophobicContact CG1-CB 4.19Å; I240-A363 HydrophobicContact CG2-CB 4.43Å; S359-A363 PolarHBondContact O-N 2.73Å; S359-A363 VanDerWaalsContact O-N 3.12Å; C360-A363 PolarHBondContact O-N 3.15Å; P361-A363 VanDerWaalsContact C-N 3.35Å; P361-A363 PolarHBondContact O-N 2.98Å; A363-L367 PolarHBondContact O-N 3.34Å; A363-L367 VanDerWaalsContact O-N 3.11Å
364L92.8Very high82.5Confident4 Ų476 Ų762%0.02143%0.431CS..Hα-helixtrans-67-42.8176.4-170.969.3000111.6I240 V242 A344 C360 P361 L367 A368 L406I240-L364 HydrophobicContact CG2-CB 4.46Å; V242-L364 HydrophobicContact CG1-CD1 3.96Å; V242-L364 HydrophobicContact CG1-CD2 4.37Å; A344-L364 HydrophobicContact CB-CB 4.19Å; A344-L364 HydrophobicContact CB-CD2 3.91Å; C360-L364 PolarHBondContact O-N 3.16Å; P361-L364 PolarHBondContact O-N 2.73Å; L364-L367 PolarHBondContact O-N 3.46Å; L364-A368 WeakPolarHBondContact O-CB 3.47Å; L364-A368 PolarHBondContact O-N 3Å; L364-L406 HydrophobicContact CD1-CD1 3.55Å; L364-L406 HydrophobicContact CD1-CG 4.2Å
365A92.6Very high84.5Confident28 Ų2873.7 Ų73.723%0.23142%0.42CS..Hα-helixtrans-62.3-44.3177.300000111.7P361 L367 A368 Q369 I404P361-A365 WeakPolarHBondContact O-CB 2.95Å; P361-A365 PolarHBondContact O-N 2.86Å; A365-L367 VanDerWaalsContact C-N 3.31Å; A365-L367 PolarHBondContact O-N 3.2Å; A365-A368 PolarHBondContact O-N 3.29Å; A365-Q369 VanDerWaalsContact O-CB 3.23Å; A365-Q369 WeakPolarHBondContact O-CB 3.47Å; A365-Q369 PolarHBondContact O-N 3.29Å; A365-I404 HydrophobicContact CB-CD1 3.81Å
366A93.4Very high86.9Confident62 Ų6268.2 Ų68.251%0.51239%0.388SS..Hα-helixtrans-61.4-39.1175.700000112.1T362 A370T362-A366 VanDerWaalsContact O-CB 3.27Å; T362-A366 WeakPolarHBondContact O-CB 3.39Å; T362-A366 PolarHBondContact O-N 2.99Å; A366-A370 VanDerWaalsContact O-CB 3.26Å; A366-A370 WeakPolarHBondContact O-CB 3.46Å; A366-A370 PolarHBondContact O-N 2.83Å
367L94.4Very high89.1Confident25 Ų2560.6 Ų60.613%0.13135%0.348CS..Hα-helixtrans-66.1-49.3175.4177.564.2000111.8L232 I234 F323 A363 L364 A365 A370 L371 L406L232-L367 HydrophobicContact CD2-CD2 3.84Å; I234-L367 HydrophobicContact CD1-CD1 4.32Å; I234-L367 HydrophobicContact CD1-CD2 3.91Å; F323-L367 HydrophobicContact CE1-CD1 4.17Å; F323-L367 HydrophobicContact CZ-CD1 4.36Å; A363-L367 PolarHBondContact O-N 3.34Å; A363-L367 VanDerWaalsContact O-N 3.11Å; L364-L367 PolarHBondContact O-N 3.46Å; A365-L367 VanDerWaalsContact C-N 3.31Å; A365-L367 PolarHBondContact O-N 3.2Å; L367-A370 PolarHBondContact O-N 3.05Å; L367-L371 HydrophobicContact CD1-CD1 4.39Å; L367-L371 HydrophobicContact CD1-CG 4.41Å; L367-L371 HydrophobicContact CG-CD1 4.26Å; L367-L371 WeakPolarHBondContact O-CG 3.44Å; L367-L371 PolarHBondContact O-N 2.9Å; L367-L406 HydrophobicContact CD2-CD1 4.09Å
368A95Very high91.2Very high0 Ų049.8 Ų49.80%031%0.307CS..Hα-helixtrans-63.3-43-179.600000111.7L364 A365 A370 L371 Y372 P397 I404 L406L364-A368 WeakPolarHBondContact O-CB 3.47Å; L364-A368 PolarHBondContact O-N 3Å; A365-A368 PolarHBondContact O-N 3.29Å; A368-A370 PolarHBondContact O-N 2.92Å; A368-L371 PolarHBondContact O-N 3.31Å; A368-Y372 WeakPolarHBondContact O-CB 3.4Å; A368-Y372 PolarHBondContact O-N 2.99Å; A368-P397 HydrophobicContact CB-CB 4.3Å; A368-P397 VanDerWaalsContact O-CB 3.3Å; A368-P397 WeakPolarHBondContact O-CB 3.07Å; A368-I404 HydrophobicContact CB-CG2 3.37Å; A368-L406 HydrophobicContact CB-CD2 3.83Å; A368-L406 HydrophobicContact CB-CG 4.42Å
369Q93.7Very high93.2Very high70 Ų7047.3 Ų47.333%0.32729%0.288SS..Hα-helixtrans-60.3-45.5174.2-175.764.924.900111.6A365 L371 Y372 E373A365-Q369 VanDerWaalsContact O-CB 3.23Å; A365-Q369 WeakPolarHBondContact O-CB 3.47Å; A365-Q369 PolarHBondContact O-N 3.29Å; Q369-L371 VanDerWaalsContact C-N 3.34Å; Q369-L371 PolarHBondContact O-N 3.04Å; Q369-Y372 PolarHBondContact O-N 3.3Å; Q369-E373 HydrophobicContact CG-CG 4.46Å; Q369-E373 WeakPolarHBondContact CG-OE1 3.44Å; Q369-E373 PolarHBondContact NE2-OE1 2.92Å; Q369-E373 WeakPolarHBondContact O-CG 3.32Å; Q369-E373 PolarHBondContact O-N 2.91Å
370A95.3Very high94.1Very high49 Ų4944.5 Ų44.541%0.40527%0.268SS..Hα-helixtrans-63.9-38.117800000112.5A366 L367 A368 V374A366-A370 VanDerWaalsContact O-CB 3.26Å; A366-A370 WeakPolarHBondContact O-CB 3.46Å; A366-A370 PolarHBondContact O-N 2.83Å; L367-A370 PolarHBondContact O-N 3.05Å; A368-A370 PolarHBondContact O-N 2.92Å; A370-V374 WeakPolarHBondContact O-CB 3.28Å; A370-V374 VanDerWaalsContact O-CG2 3.26Å; A370-V374 WeakPolarHBondContact O-CG2 3.18Å; A370-V374 PolarHBondContact O-N 3.3Å
371L96.5Very high94.6Very high11 Ų1147.9 Ų47.96%0.05828%0.277CS..Hα-helixtrans-64.7-41.6173.6-71.3174.2000111.2F323 L367 A368 Q369 V374 S375 G376 A378 P397 L406F323-L371 HydrophobicContact CD1-CD2 3.72Å; F323-L371 HydrophobicContact CE1-CD2 4.06Å; L367-L371 HydrophobicContact CD1-CD1 4.39Å; L367-L371 HydrophobicContact CD1-CG 4.41Å; L367-L371 HydrophobicContact CG-CD1 4.26Å; L367-L371 WeakPolarHBondContact O-CG 3.44Å; L367-L371 PolarHBondContact O-N 2.9Å; A368-L371 PolarHBondContact O-N 3.31Å; Q369-L371 VanDerWaalsContact C-N 3.34Å; Q369-L371 PolarHBondContact O-N 3.04Å; L371-V374 PolarHBondContact O-N 3.19Å; L371-S375 PolarHBondContact O-N 3.47Å; L371-G376 PolarHBondContact O-N 3.14Å; L371-A378 HydrophobicContact CD1-CB 4.38Å; L371-P397 HydrophobicContact CB-CB 4.07Å; L371-P397 HydrophobicContact CB-CG 3.72Å; L371-L406 HydrophobicContact CD1-CD2 4.03Å
372Y95Very high94.9Very high90 Ų9046.2 Ų46.235%0.35326%0.263SS..Hα-helixtrans-64.4-50.8179-177.3-93.9000111.5A368 Q369 V374 S375 I399A368-Y372 WeakPolarHBondContact O-CB 3.4Å; A368-Y372 PolarHBondContact O-N 2.99Å; Q369-Y372 PolarHBondContact O-N 3.3Å; Y372-V374 PolarHBondContact O-N 3.26Å; Y372-S375 PolarHBondContact O-N 3.28Å; Y372-I399 HydrophobicContact CD1-CD1 3.98Å; Y372-I399 HydrophobicContact CD2-CD1 3.91Å; Y372-I399 HydrophobicContact CD2-CG1 4.41Å; Y372-I399 HydrophobicContact CG-CD1 3.57Å
373E94.8Very high95.1Very high137 Ų13741.9 Ų41.964%0.6424%0.237SC*.Hα-helixtrans-60.3-31.6179.6-73.1176-169.800113.3Q369Q369-E373 HydrophobicContact CG-CG 4.46Å; Q369-E373 WeakPolarHBondContact CG-OE1 3.44Å; Q369-E373 PolarHBondContact NE2-OE1 2.92Å; Q369-E373 WeakPolarHBondContact O-CG 3.32Å; Q369-E373 PolarHBondContact O-N 2.91Å
374V95.2Very high95.2Very high113 Ų11346.4 Ų46.469%0.68525%0.248SC*.THydrogen-bonded Turntrans-91-0.7-179.71800000112A370 L371 Y372 G376A370-V374 WeakPolarHBondContact O-CB 3.28Å; A370-V374 VanDerWaalsContact O-CG2 3.26Å; A370-V374 WeakPolarHBondContact O-CG2 3.18Å; A370-V374 PolarHBondContact O-N 3.3Å; L371-V374 PolarHBondContact O-N 3.19Å; Y372-V374 PolarHBondContact O-N 3.26Å; V374-G376 PolarHBondContact O-N 3.32Å
375S94.5Very high95Very high78 Ų7849.1 Ų49.155%0.54526%0.263SS..THydrogen-bonded Turntrans4940.6-169.1-60.50000111.5A326 L371 Y372A326-S375 WeakPolarHBondContact CB-O 3.32Å; A326-S375 PolarHBondContact N-O 2.85Å; L371-S375 PolarHBondContact O-N 3.47Å; Y372-S375 PolarHBondContact O-N 3.28Å
376G96.2Very high94.7Very high7 Ų754.5 Ų54.57%0.07228%0.283CS..EExtended strand (participates in β ladder)trans-111.3160.8-172.700000112.5T324 L371 V374T324-G376 CarbonylContact O-C 3.58Å; T324-G376 VanDerWaalsContact O-CA 3.31Å; T324-G376 WeakPolarHBondContact O-CA 3.38Å; L371-G376 PolarHBondContact O-N 3.14Å; V374-G376 PolarHBondContact O-N 3.32Å
377V97.2Very high94.4Very high6 Ų655.8 Ų55.84%0.03629%0.286CS..EExtended strand (participates in β ladder)trans-133.3154.7177.1-640000110.1F323 T324 A326 I329 V394 L395 T396F323-V377 WeakPolarHBondContact CA-O 3.36Å; T324-V377 HydrophobicContact CG2-CG2 3.63Å; T324-V377 PolarHBondContact N-O 3.13Å; T324-V377 PolarHBondContact O-N 3.02Å; A326-V377 HydrophobicContact CB-CG1 3.98Å; I329-V377 HydrophobicContact CD1-CG2 3.6Å; I329-V377 HydrophobicContact CG1-CG2 4.26Å; V377-V394 HydrophobicContact CB-CG2 3.56Å; V377-V394 HydrophobicContact CG1-CG2 4.12Å; V377-V394 HydrophobicContact CG2-CG2 3.75Å; V377-L395 WeakPolarHBondContact CA-O 3.45Å; V377-T396 HydrophobicContact CG1-CG2 4.47Å
378A97.5Very high94.1Very high0 Ų056.1 Ų56.10%029%0.291CS..EExtended strand (participates in β ladder)trans-104.6126177.300000111.1V320 F323 L371 V394 L395V320-A378 HydrophobicContact CG1-CB 4.34Å; F323-A378 HydrophobicContact CD1-CB 3.57Å; F323-A378 HydrophobicContact CE1-CB 3.49Å; F323-A378 VanDerWaalsContact CE1-CB 3.49Å; L371-A378 HydrophobicContact CD1-CB 4.38Å; A378-V394 CarbonylContact O-C 3.59Å; A378-V394 WeakPolarHBondContact O-CA 3.43Å; A378-L395 HydrophobicContact CB-CB 4.16Å; A378-L395 PolarHBondContact N-O 3.23Å; A378-L395 PolarHBondContact O-N 3.01Å
379L97.7Very high93.8Very high45 Ų4559.2 Ų59.224%0.23632%0.316CS..EExtended strand (participates in β ladder)trans-79.8129.8171-66.7175.5000109.2V320 I321 G322 T324 I329 I411V320-L379 CarbonylContact C-O 3.6Å; V320-L379 WeakPolarHBondContact CA-O 3.2Å; I321-L379 HydrophobicContact CB-CB 4.31Å; I321-L379 PolarHBondContact N-O 3.42Å; G322-L379 PolarHBondContact O-N 3.48Å; T324-L379 HydrophobicContact CG2-CD1 4.48Å; T324-L379 HydrophobicContact CG2-CG 4.37Å; I329-L379 HydrophobicContact CD1-CD2 3.46Å; I329-L379 VanDerWaalsContact CD1-CD2 3.46Å; I329-L379 HydrophobicContact CD1-CG 4.41Å; L379-I411 HydrophobicContact CD2-CD1 3.8Å
380V97.3Very high93.7Very high0 Ų057.8 Ų57.80%032%0.316CS..EExtended strand (participates in β ladder)trans-131141.8-174.6-74.20000112.5L232 F318 S319 V320 G393 L395 Y408L232-V380 HydrophobicContact CD1-CG1 4.4Å; F318-V380 HydrophobicContact CE2-CB 4.14Å; F318-V380 HydrophobicContact CE2-CG1 4.47Å; F318-V380 HydrophobicContact CE2-CG2 3.95Å; F318-V380 HydrophobicContact CZ-CG2 4.46Å; S319-V380 WeakPolarHBondContact O-CA 3.39Å; V320-V380 HydrophobicContact CB-CG1 4.48Å; V320-V380 HydrophobicContact CG2-CG1 3.89Å; V380-G393 VanDerWaalsContact CG2-O 3.29Å; V380-G393 WeakPolarHBondContact CG2-O 3.4Å; V380-G393 PolarHBondContact N-O 2.88Å; V380-G393 PolarHBondContact O-N 3.18Å; V380-L395 HydrophobicContact CG1-CD1 3.51Å; V380-L395 HydrophobicContact CG1-CG 3.96Å; V380-L395 HydrophobicContact CG2-CD1 4.42Å; V380-L395 HydrophobicContact CG2-CG 4.01Å; V380-Y408 HydrophobicContact CG2-CD2 3.72Å; V380-Y408 HydrophobicContact CG2-CE2 3.6Å
381R96.3Very high93.7Very high100 Ų10061.4 Ų61.438%0.37732%0.319SS..EExtended strand (participates in β ladder)trans-93.1120.8165.5178.4179.2174.7-106-1.7109C317 F318 S319 I321C317-R381 PolarHBondContact SG-NH1 3.25Å; F318-R381 WeakPolarHBondContact CA-O 2.8Å; S319-R381 PolarHBondContact N-O 3.34Å; S319-R381 PolarHBondContact O-N 3.48Å; I321-R381 HydrophobicContact CD1-CB 4.08Å; I321-R381 HydrophobicContact CG1-CB 4.2Å
382R95.2Very high93.6Very high26 Ų2662.8 Ų62.810%0.09833%0.327CS..EExtended strand (participates in β ladder)trans-111.3129.6177.4-174.6-174.266.9169.9-4.5110.6W228 F318 L340 R391 Y408 D410W228-R382 HydrophobicContact CH2-CG 3.77Å; W228-R382 HydrophobicContact CZ3-CG 4.03Å; F318-R382 HydrophobicContact CD2-CB 4.18Å; F318-R382 HydrophobicContact CD2-CG 4.25Å; F318-R382 HydrophobicContact CE2-CB 4.45Å; L340-R382 VanDerWaalsContact CD1-NH1 3.28Å; R382-R391 PolarHBondContact N-O 2.94Å; R382-R391 PolarHBondContact O-N 2.97Å; R382-Y408 HydrophobicContact CB-CE2 3.96Å; R382-Y408 WeakPolarHBondContact CB-OH 3.33Å; R382-Y408 HydrophobicContact CG-CE2 4.48Å; R382-Y408 PolarHBondContact NE-OH 3.22Å; R382-Y408 VanDerWaalsContact NE-OH 3.11Å; R382-Y408 VanDerWaalsContact NH1-CE1 3.26Å; R382-D410 IonicContact CZ-OD1 3.01Å; R382-D410 IonicContact CZ-OD2 3.75Å; R382-D410 IonicContact NE-OD1 3.67Å; R382-D410 IonicContact NH2-OD1 2.63Å; R382-D410 PolarHBondContact NH2-OD1 2.89Å; R382-D410 IonicContact NH2-OD2 3.22Å; R382-D410 PolarHBondContact NH2-OD2 2.92Å
383V95Very high93.7Very high0 Ų058.5 Ų58.50%031%0.31CS..EExtended strand (participates in β ladder)trans-127.9111.3165.5177.60000107.5W228 E315 K316 C317 N385 A390W228-V383 WeakPolarHBondContact CZ2-O 3.45Å; E315-V383 WeakPolarHBondContact O-CB 2.97Å; E315-V383 VanDerWaalsContact O-CG1 3.28Å; E315-V383 WeakPolarHBondContact O-CG1 3.47Å; K316-V383 WeakPolarHBondContact CA-O 3.28Å; C317-V383 PolarHBondContact N-O 3.27Å; C317-V383 VanDerWaalsContact N-O 3.15Å; C317-V383 PolarHBondContact O-N 2.99Å; C317-V383 WeakPolarHBondContact SG-CG2 3.29Å; V383-N385 WeakPolarHBondContact CG1-O 3.27Å; V383-A390 HydrophobicContact CG2-CB 3.82Å
384Y92.9Very high93.9Very high124 Ų12452 Ų5249%0.48628%0.28SS..  trans-65.4-46.8-171.4177.6-103.5000113.3W228W228-Y384 HydrophobicContact CB-CE2 4.3Å; W228-Y384 AromaticContact CD1-CD2 3.69Å; W228-Y384 AromaticContact CD1-CE2 3.4Å; W228-Y384 HydrophobicContact CD2-CD2 4.06Å; W228-Y384 HydrophobicContact CD2-CE2 4.3Å; W228-Y384 AromaticContact CE2-CD2 3.81Å; W228-Y384 HydrophobicContact CG-CD2 4.04Å; W228-Y384 AromaticContact CG-CE2 3.79Å; W228-Y384 HydrophobicContact CG-CE2 3.79Å; W228-Y384 HydrophobicContact CZ2-CD2 4.43Å; W228-Y384 AromaticContact NE1-CD2 3.51Å; W228-Y384 AromaticContact NE1-CE2 3.71Å; W228-Y384 PolarHBondContact NE1-O 2.85Å
385N90.5Very high94Very high60 Ų6046.7 Ų46.732%0.32125%0.247SC..SBendtrans-153.8175.6175.764.914000109.8V383 P387 S388V383-N385 WeakPolarHBondContact CG1-O 3.27Å; N385-P387 WeakPolarHBondContact OD1-CD 3.01Å; N385-P387 VanDerWaalsContact OD1-CG 3.27Å; N385-P387 WeakPolarHBondContact OD1-CG 3.47Å; N385-S388 WeakPolarHBondContact O-CB 3.04Å; N385-S388 PolarHBondContact O-N 2.97Å; N385-S388 WeakPolarHBondContact OD1-CB 2.85Å; N385-S388 PolarHBondContact OD1-N 2.75Å; N385-S388 VanDerWaalsContact OD1-N 3.08Å; N385-S388 PolarHBondContact OD1-OG 2.87Å
386Q85.9Confident94Very high141 Ų14145.1 Ų45.166%0.65923%0.234SC*.THydrogen-bonded Turntrans-53.4-44.1-176.1-169.3-179.86.300115.2S314 S388S314-Q386 VanDerWaalsContact O-CA 3.28Å; S314-Q386 WeakPolarHBondContact O-CA 3.4Å; S314-Q386 PolarHBondContact OG-O 2.7Å; Q386-S388 VanDerWaalsContact C-N 3.34Å
387P85.8Confident94Very high89 Ų8945.8 Ų45.858%0.57824%0.237SC*.THydrogen-bonded Turntrans-77.7-13.9177.928.8-35.9000114.6K311 N385K311-P387 PolarHBondContact NZ-O 2.89Å; N385-P387 WeakPolarHBondContact OD1-CD 3.01Å; N385-P387 VanDerWaalsContact OD1-CG 3.27Å; N385-P387 WeakPolarHBondContact OD1-CG 3.47Å
388S89Confident93.8Very high33 Ų3348.9 Ų48.923%0.23125%0.252CS..SBendtrans-71.8142.6-177.1-66.90000112.2S314 N385 Q386S314-S388 PolarHBondContact OG-O 2.82Å; N385-S388 WeakPolarHBondContact O-CB 3.04Å; N385-S388 PolarHBondContact O-N 2.97Å; N385-S388 WeakPolarHBondContact OD1-CB 2.85Å; N385-S388 PolarHBondContact OD1-N 2.75Å; N385-S388 VanDerWaalsContact OD1-N 3.08Å; N385-S388 PolarHBondContact OD1-OG 2.87Å; Q386-S388 VanDerWaalsContact C-N 3.34Å
389A89Confident93.4Very high64 Ų6450.8 Ų50.853%0.52926%0.261SS..PPolyproline II helixtrans-66149.5168.900000110.9
390A91.9Very high92.8Very high40 Ų4052.7 Ų52.733%0.33127%0.269SS..PPolyproline II helixtrans-67.1137.4170.400000110V383V383-A390 HydrophobicContact CG2-CB 3.82Å
391R94.3Very high92.1Very high125 Ų12556.3 Ų56.347%0.47231%0.307SS..EExtended strand (participates in β ladder)trans-119.7147.1175-63.5-66.5-171.61672.1109.3R382R382-R391 PolarHBondContact N-O 2.94Å; R382-R391 PolarHBondContact O-N 2.97Å
392L95.6Very high91.4Very high41 Ų4158.8 Ų58.822%0.21533%0.327CS..EExtended strand (participates in β ladder)trans-97138.2169.1-170.164.9000107.8I321 D410 I411 F413I321-L392 HydrophobicContact CD1-CD1 3.25Å; L392-D410 WeakPolarHBondContact O-CA 3.45Å; L392-I411 HydrophobicContact CB-CG1 3.96Å; L392-I411 HydrophobicContact CD2-CD1 3.59Å; L392-I411 HydrophobicContact CD2-CG1 3.71Å; L392-I411 HydrophobicContact CG-CD1 3.65Å; L392-I411 HydrophobicContact CG-CG1 3.53Å; L392-I411 PolarHBondContact O-N 3.44Å; L392-F413 HydrophobicContact CB-CE1 3.94Å; L392-F413 HydrophobicContact CB-CZ 4.1Å
393G96.7Very high90.8Very high0 Ų064 Ų640%035%0.353CS..EExtended strand (participates in β ladder)trans-148.1171.7176.600000112.3V380 T409V380-G393 VanDerWaalsContact CG2-O 3.29Å; V380-G393 WeakPolarHBondContact CG2-O 3.4Å; V380-G393 PolarHBondContact N-O 2.88Å; V380-G393 PolarHBondContact O-N 3.18Å; G393-T409 CarbonylContact C-O 3.32Å; G393-T409 WeakPolarHBondContact CA-O 3.5Å
394V97.5Very high90.5Very high0 Ų066.9 Ų66.90%037%0.368CS..EExtended strand (participates in β ladder)trans-115140175.760.80000109.2I329 Y334 V377 A378 Y408 T409 I411I329-V394 HydrophobicContact CD1-CB 4.09Å; I329-V394 HydrophobicContact CD1-CG2 3.66Å; Y334-V394 HydrophobicContact CE1-CG1 3.98Å; V377-V394 HydrophobicContact CB-CG2 3.56Å; V377-V394 HydrophobicContact CG1-CG2 4.12Å; V377-V394 HydrophobicContact CG2-CG2 3.75Å; A378-V394 CarbonylContact O-C 3.59Å; A378-V394 WeakPolarHBondContact O-CA 3.43Å; V394-Y408 VanDerWaalsContact O-CA 3.3Å; V394-Y408 WeakPolarHBondContact O-CA 3.38Å; V394-T409 PolarHBondContact N-O 3.23Å; V394-T409 PolarHBondContact O-N 3.48Å; V394-T409 VanDerWaalsContact O-N 3.1Å; V394-I411 HydrophobicContact CB-CG2 4.13Å; V394-I411 HydrophobicContact CG1-CG2 3.85Å
395L97.5Very high90.5Very high1 Ų161.8 Ų61.81%0.00535%0.35CS..EExtended strand (participates in β ladder)trans-102.9119.6166.2-70.1171.2000110L232 F318 F342 V377 A378 V380 L406 M407 Y408L232-L395 HydrophobicContact CD1-CD1 4.09Å; F318-L395 HydrophobicContact CE1-CD1 4.23Å; F318-L395 HydrophobicContact CZ-CD1 3.95Å; F318-L395 HydrophobicContact CZ-CD2 3.81Å; F318-L395 HydrophobicContact CZ-CG 4.23Å; F342-L395 HydrophobicContact CD2-CD2 4.12Å; V377-L395 WeakPolarHBondContact CA-O 3.45Å; A378-L395 HydrophobicContact CB-CB 4.16Å; A378-L395 PolarHBondContact N-O 3.23Å; A378-L395 PolarHBondContact O-N 3.01Å; V380-L395 HydrophobicContact CG1-CD1 3.51Å; V380-L395 HydrophobicContact CG1-CG 3.96Å; V380-L395 HydrophobicContact CG2-CD1 4.42Å; V380-L395 HydrophobicContact CG2-CG 4.01Å; L395-L406 HydrophobicContact CD1-CD1 4.18Å; L395-L406 HydrophobicContact CD2-CB 3.98Å; L395-M407 CarbonylContact C-O 3.55Å; L395-M407 VanDerWaalsContact CA-O 3.27Å; L395-M407 WeakPolarHBondContact CA-O 3.42Å; L395-Y408 HydrophobicContact CD2-CD2 4.31Å
396T96.3Very high90.8Very high45 Ų4559 Ų5928%0.27634%0.335SS..EExtended strand (participates in β ladder)trans-108131.5176.4-53.20000109.1V377 L406 M407V377-T396 HydrophobicContact CG1-CG2 4.47Å; T396-L406 WeakPolarHBondContact O-CA 3.45Å; T396-M407 PolarHBondContact N-O 3.03Å; T396-M407 PolarHBondContact O-N 3.02Å
397P96.2Very high91.3Very high21 Ų2153.2 Ų53.214%0.13631%0.308CS..EExtended strand (participates in β ladder)trans-70.9133.5175.131.7-35.4000110.8A368 L371 L406A368-P397 HydrophobicContact CB-CB 4.3Å; A368-P397 VanDerWaalsContact O-CB 3.3Å; A368-P397 WeakPolarHBondContact O-CB 3.07Å; L371-P397 HydrophobicContact CB-CB 4.07Å; L371-P397 HydrophobicContact CB-CG 3.72Å; P397-L406 HydrophobicContact CB-CD2 4.3Å
398E92.6Very high91.8Very high72 Ų7249 Ų4934%0.33628%0.281SS..EExtended strand (participates in β ladder)trans-125.4120171.1-171.3175.8161.100108.7S405 M407E398-S405 PolarHBondContact N-O 3.28Å; E398-S405 PolarHBondContact O-N 3.23Å; E398-M407 HydrophobicContact CB-CG 4.32Å; E398-M407 WeakPolarHBondContact OE2-CE 3.39Å; E398-M407 WeakPolarHBondContact OE2-CG 3.49Å
399I88.3Confident92.2Very high39 Ų3948.2 Ų48.220%0.228%0.275CS..EExtended strand (participates in β ladder)trans-119.8113.7-176.6-56178.9000107.2Y372 I404Y372-I399 HydrophobicContact CD1-CD1 3.98Å; Y372-I399 HydrophobicContact CD2-CD1 3.91Å; Y372-I399 HydrophobicContact CD2-CG1 4.41Å; Y372-I399 HydrophobicContact CG-CD1 3.57Å; I399-I404 HydrophobicContact CG2-CG1 4.43Å
400H84.3Confident92.5Very high85 Ų8545.7 Ų45.739%0.39425%0.252SS..EExtended strand (participates in β ladder)trans-127.997.2-178-170.184000110.2D402 Q403 E497H400-D402 PolarHBondContact O-N 2.64Å; H400-D402 VanDerWaalsContact O-N 3.11Å; H400-Q403 PolarHBondContact N-O 2.91Å; H400-Q403 WeakPolarHBondContact O-CB 3.07Å; H400-Q403 PolarHBondContact O-N 3.06Å; H400-E497 IonicContact CE1-OE1 3.11Å; H400-E497 PolarHBondContact CE1-OE1 2.88Å; H400-E497 IonicContact CE1-OE2 3.73Å; H400-E497 IonicContact NE2-OE1 2.79Å; H400-E497 IonicContact NE2-OE2 3.31Å
401G83Confident92.8Very high77 Ų7744.6 Ų44.679%0.79424%0.241SC*.THydrogen-bonded Turntrans59.4-114.1-17500000111.8
402D81.4Confident92.8Very high152 Ų15239.5 Ų39.581%0.81323%0.225SC*.THydrogen-bonded Turntrans-91.3-4.4176.267.1-14.9000113.9H400H400-D402 PolarHBondContact O-N 2.64Å; H400-D402 VanDerWaalsContact O-N 3.11Å
403Q83.9Confident92.7Very high136 Ų13640.7 Ų40.764%0.63623%0.229SC*.EExtended strand (participates in β ladder)trans-95120.7-178-55.5-171.6-6.100110.8H400H400-Q403 PolarHBondContact N-O 2.91Å; H400-Q403 WeakPolarHBondContact O-CB 3.07Å; H400-Q403 PolarHBondContact O-N 3.06Å
404I87.9Confident92.6Very high60 Ų6045.6 Ų45.631%0.30826%0.263SS..EExtended strand (participates in β ladder)trans-116.7127177.6-58.6170.5000109A365 A368 I399A365-I404 HydrophobicContact CB-CD1 3.81Å; A368-I404 HydrophobicContact CB-CG2 3.37Å; I399-I404 HydrophobicContact CG2-CG1 4.43Å
405S92.9Very high92.3Very high17 Ų1752.2 Ų52.212%0.11929%0.294CS..EExtended strand (participates in β ladder)trans-143.1165.5178.674.10000112.7E398E398-S405 PolarHBondContact N-O 3.28Å; E398-S405 PolarHBondContact O-N 3.23Å
406L96.5Very high92.1Very high1 Ų156.3 Ų56.31%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-115.7118.1171.7-66.7177.2000109.5L232 F342 L364 L367 A368 L371 L395 T396 P397L232-L406 HydrophobicContact CD2-CD1 4.5Å; F342-L406 HydrophobicContact CB-CB 4.35Å; F342-L406 PolarHBondContact N-O 3.18Å; F342-L406 PolarHBondContact O-N 3.04Å; F342-L406 VanDerWaalsContact O-N 3.13Å; L364-L406 HydrophobicContact CD1-CD1 3.55Å; L364-L406 HydrophobicContact CD1-CG 4.2Å; L367-L406 HydrophobicContact CD2-CD1 4.09Å; A368-L406 HydrophobicContact CB-CD2 3.83Å; A368-L406 HydrophobicContact CB-CG 4.42Å; L371-L406 HydrophobicContact CD1-CD2 4.03Å; L395-L406 HydrophobicContact CD1-CD1 4.18Å; L395-L406 HydrophobicContact CD2-CB 3.98Å; T396-L406 WeakPolarHBondContact O-CA 3.45Å; P397-L406 HydrophobicContact CB-CD2 4.3Å
407M96.4Very high91.9Very high19 Ų1957.5 Ų57.59%0.09432%0.32CS..EExtended strand (participates in β ladder)trans-83.9128.5174.5-74-64.8179.400110.4Y247 V339 L340 V341 L395 T396 E398Y247-M407 HydrophobicContact CD1-CE 3.72Å; Y247-M407 HydrophobicContact CD1-SD 4.03Å; Y247-M407 HydrophobicContact CD2-CE 3.8Å; Y247-M407 HydrophobicContact CE1-CE 3.85Å; Y247-M407 HydrophobicContact CE2-CE 3.9Å; Y247-M407 HydrophobicContact CG-CE 3.72Å; Y247-M407 HydrophobicContact CG-SD 4.11Å; V339-M407 HydrophobicContact CG1-SD 4.12Å; L340-M407 CarbonylContact O-C 3.57Å; L340-M407 WeakPolarHBondContact O-CA 3.48Å; V341-M407 HydrophobicContact CB-CE 3.9Å; V341-M407 HydrophobicContact CB-SD 3.74Å; V341-M407 HydrophobicContact CG2-CE 3.82Å; V341-M407 HydrophobicContact CG2-SD 4.02Å; L395-M407 CarbonylContact C-O 3.55Å; L395-M407 VanDerWaalsContact CA-O 3.27Å; L395-M407 WeakPolarHBondContact CA-O 3.42Å; T396-M407 PolarHBondContact N-O 3.03Å; T396-M407 PolarHBondContact O-N 3.02Å; E398-M407 HydrophobicContact CB-CG 4.32Å; E398-M407 WeakPolarHBondContact OE2-CE 3.39Å; E398-M407 WeakPolarHBondContact OE2-CG 3.49Å
408Y97.4Very high91.6Very high0 Ų067 Ų670%035%0.353CS..EExtended strand (participates in β ladder)trans-104.7127.4176.1172.7-84.1000110.8F318 V339 L340 F342 V380 R382 V394 L395 D410F318-Y408 AromaticContact CE2-CD2 3.76Å; F318-Y408 HydrophobicContact CE2-CD2 3.76Å; F318-Y408 AromaticContact CE2-CE2 3.97Å; F318-Y408 HydrophobicContact CE2-CE2 3.97Å; F318-Y408 HydrophobicContact CZ-CD2 4.12Å; V339-Y408 WeakPolarHBondContact CG1-O 3.4Å; L340-Y408 HydrophobicContact CB-CD1 4.36Å; L340-Y408 HydrophobicContact CD1-CD1 4.16Å; L340-Y408 HydrophobicContact CG-CD1 4.21Å; L340-Y408 PolarHBondContact N-O 2.99Å; L340-Y408 PolarHBondContact O-N 2.97Å; F342-Y408 HydrophobicContact CE2-CD2 4.42Å; F342-Y408 HydrophobicContact CE2-CG 4.02Å; V380-Y408 HydrophobicContact CG2-CD2 3.72Å; V380-Y408 HydrophobicContact CG2-CE2 3.6Å; R382-Y408 HydrophobicContact CB-CE2 3.96Å; R382-Y408 WeakPolarHBondContact CB-OH 3.33Å; R382-Y408 HydrophobicContact CG-CE2 4.48Å; R382-Y408 PolarHBondContact NE-OH 3.22Å; R382-Y408 VanDerWaalsContact NE-OH 3.11Å; R382-Y408 VanDerWaalsContact NH1-CE1 3.26Å; V394-Y408 VanDerWaalsContact O-CA 3.3Å; V394-Y408 WeakPolarHBondContact O-CA 3.38Å; L395-Y408 HydrophobicContact CD2-CD2 4.31Å; Y408-D410 VanDerWaalsContact CE1-OD1 3.23Å; Y408-D410 WeakPolarHBondContact CE1-OD1 3.45Å; Y408-D410 VanDerWaalsContact CZ-OD1 3.25Å; Y408-D410 PolarHBondContact OH-OD1 3.19Å
409T96.9Very high91.4Very high18 Ų1870.4 Ų70.411%0.1137%0.373CS..EExtended strand (participates in β ladder)trans-126.8135.1172.9-550000109.5Y334 G393 V394Y334-T409 HydrophobicContact CD1-CG2 4.01Å; Y334-T409 HydrophobicContact CD2-CG2 3.95Å; Y334-T409 HydrophobicContact CG-CG2 3.67Å; G393-T409 CarbonylContact C-O 3.32Å; G393-T409 WeakPolarHBondContact CA-O 3.5Å; V394-T409 PolarHBondContact N-O 3.23Å; V394-T409 PolarHBondContact O-N 3.48Å; V394-T409 VanDerWaalsContact O-N 3.1Å
410D96.2Very high91.5Very high11 Ų1175 Ų756%0.05940%0.398CS..EExtended strand (participates in β ladder)trans-67.8139.8174-74.4-46.2000109.4T335 R382 L392 Y408T335-D410 PolarHBondContact N-O 3.41Å; T335-D410 PolarHBondContact OG1-O 3.27Å; R382-D410 IonicContact CZ-OD1 3.01Å; R382-D410 IonicContact CZ-OD2 3.75Å; R382-D410 IonicContact NE-OD1 3.67Å; R382-D410 IonicContact NH2-OD1 2.63Å; R382-D410 PolarHBondContact NH2-OD1 2.89Å; R382-D410 IonicContact NH2-OD2 3.22Å; R382-D410 PolarHBondContact NH2-OD2 2.92Å; L392-D410 WeakPolarHBondContact O-CA 3.45Å; Y408-D410 VanDerWaalsContact CE1-OD1 3.23Å; Y408-D410 WeakPolarHBondContact CE1-OD1 3.45Å; Y408-D410 VanDerWaalsContact CZ-OD1 3.25Å; Y408-D410 PolarHBondContact OH-OD1 3.19Å
411I96.1Very high91.8Very high17 Ų1780.9 Ų80.99%0.08742%0.422CS..EExtended strand (participates in β ladder)trans-116.5149.2176.366172.7000111.3I329 F333 Y334 L379 L392 V394I329-I411 HydrophobicContact CG2-CG2 4.3Å; F333-I411 CarbonylContact O-C 3.26Å; F333-I411 WeakPolarHBondContact O-CA 3.27Å; Y334-I411 HydrophobicContact CD1-CG2 4.24Å; L379-I411 HydrophobicContact CD2-CD1 3.8Å; L392-I411 HydrophobicContact CB-CG1 3.96Å; L392-I411 HydrophobicContact CD2-CD1 3.59Å; L392-I411 HydrophobicContact CD2-CG1 3.71Å; L392-I411 HydrophobicContact CG-CD1 3.65Å; L392-I411 HydrophobicContact CG-CG1 3.53Å; L392-I411 PolarHBondContact O-N 3.44Å; V394-I411 HydrophobicContact CB-CG2 4.13Å; V394-I411 HydrophobicContact CG1-CG2 3.85Å
412A95Very high92.2Very high18 Ų1884 Ų8415%0.14942%0.42CS..  trans-56.9138.2-179.700000112.1F333 T335 D416 I417F333-A412 PolarHBondContact O-N 3.15Å; T335-A412 HydrophobicContact CG2-CB 3.67Å; A412-D416 HydrophobicContact CB-CB 3.94Å; A412-I417 HydrophobicContact CB-CG1 4.17Å
413F94.4Very high92.5Very high66 Ų6682.2 Ų82.229%0.28942%0.417SS..  trans-77.3167.5162.4-69.5-76.6000110.4L392 E415 D416L392-F413 HydrophobicContact CB-CE1 3.94Å; L392-F413 HydrophobicContact CB-CZ 4.1Å; F413-E415 VanDerWaalsContact CB-CD 3.43Å; F413-E415 HydrophobicContact CB-CG 4.12Å; F413-E415 WeakPolarHBondContact CB-OE2 3.46Å; F413-E415 PolarHBondContact O-N 2.86Å; F413-D416 PolarHBondContact N-OD2 3.22Å; F413-D416 WeakPolarHBondContact O-CB 3.38Å; F413-D416 PolarHBondContact O-N 3.26Å
414S93.4Very high92.6Very high102 Ų10281.5 Ų81.571%0.71343%0.427SS*.THydrogen-bonded Turntrans-55.6-35.2-179.945.70000113.7D416S414-D416 VanDerWaalsContact C-N 3.31Å
415E92.6Very high92.5Very high140 Ų14085.4 Ų85.465%0.65445%0.448SS*.THydrogen-bonded Turntrans-75.1-17.8179.556.4-93-141.800113.8F413F413-E415 VanDerWaalsContact CB-CD 3.43Å; F413-E415 HydrophobicContact CB-CG 4.12Å; F413-E415 WeakPolarHBondContact CB-OE2 3.46Å; F413-E415 PolarHBondContact O-N 2.86Å
416D92.7Very high91.7Very high86 Ų8686.6 Ų86.646%0.4646%0.455SS..THydrogen-bonded Turntrans-83-22177.8-61.3-42.4000111.6A412 F413 S414A412-D416 HydrophobicContact CB-CB 3.94Å; F413-D416 PolarHBondContact N-OD2 3.22Å; F413-D416 WeakPolarHBondContact O-CB 3.38Å; F413-D416 PolarHBondContact O-N 3.26Å; S414-D416 VanDerWaalsContact C-N 3.31Å
417I91.5Very high90.3Very high71 Ų7192.5 Ų92.536%0.36449%0.491SS..  trans-79.3128.7-178.4-59.3175.1000110.2F333 A412F333-I417 HydrophobicContact CE1-CD1 4.21Å; A412-I417 HydrophobicContact CB-CG1 4.17Å
418R90.1Very high88.6Confident220 Ų22095.4 Ų95.483%0.8351%0.513SS*.  trans-111.6105.2177.5-61.4-172.5-173.5-138.52.2111.2L420R418-L420 VanDerWaalsContact C-N 3.3Å; R418-L420 PolarHBondContact O-N 3.44Å
419D88.3Confident86.4Confident143 Ų14398.7 Ų98.777%0.76554%0.535SS*.  trans-79.971.2179.3-65-31.4000112.6K421D419-K421 PolarHBondContact O-N 3.1Å
420L90.9Very high84.2Confident136 Ų136105.1 Ų105.171%0.71256%0.564SS**  trans-73.3114.1175-62.4177.1000110.5R418 L422R418-L420 VanDerWaalsContact C-N 3.3Å; R418-L420 PolarHBondContact O-N 3.44Å; L420-L422 PolarHBondContact O-N 3.46Å; L420-L422 VanDerWaalsContact O-N 3.1Å
421K90.8Very high81.7Confident208 Ų208108.3 Ų108.390%0.90459%0.585SS**  trans-78.393.3176.6-65.4-175.8-178.6-179.90110.8D419D419-K421 PolarHBondContact O-N 3.1Å
422L90.1Very high78.9Confident142 Ų142113.6 Ų113.674%0.74362%0.623SS**PPolyproline II helixtrans-95.9141.6174.5-62171.3000110.6L420L420-L422 PolarHBondContact O-N 3.46Å; L420-L422 VanDerWaalsContact O-N 3.1Å
423P87.8Confident76.1Confident116 Ų116118.2 Ų118.275%0.75365%0.65SS**PPolyproline II helixtrans-65.9135.8173.327.9-33.1000110.4L425P423-L425 PolarHBondContact O-N 2.8Å
424S86.5Confident73.6Confident121 Ų121120.1 Ų120.185%0.84667%0.671SS**PPolyproline II helixtrans-61.5134.9176.6-530000111.2
425L86.3Confident70.7Confident142 Ų142122 Ų12274%0.74368%0.679SS**PPolyproline II helixtrans-75.2139.3172.5-61.6175.2000109.5P423 V427P423-L425 PolarHBondContact O-N 2.8Å; L425-V427 PolarHBondContact O-N 2.77Å
426P75.3Confident68.1Low41 Ų41121.2 Ų121.227%0.26668%0.684SS.*  trans-70.8111.1177.928.6-33.2000110.6S449 N451 C452 P453P426-S449 WeakPolarHBondContact CB-OG 3.43Å; P426-S449 WeakPolarHBondContact CG-OG 3.26Å; P426-N451 HydrophobicContact CG-CB 4.13Å; P426-C452 HydrophobicContact CB-CB 4.4Å; P426-P453 WeakPolarHBondContact O-CD 3.22Å
427V67.3Low65.3Low125 Ų125125.1 Ų125.176%0.75870%0.699SS**  trans-88.9-32.2-174.6-175.20000112.9L425L425-V427 PolarHBondContact O-N 2.77Å
428S60.9Low62.4Low80 Ų80126.8 Ų126.856%0.55972%0.716SS**  trans-145.8144.7177.9-1740000112E430S428-E430 PolarHBondContact O-N 2.85Å; S428-E430 VanDerWaalsContact OG-CG 3.23Å; S428-E430 WeakPolarHBondContact OG-CG 3.38Å; S428-E430 PolarHBondContact OG-N 2.65Å
429C52Low59.6Low69 Ų69126.2 Ų126.247%0.46672%0.72SS.*  trans-84.848.7169.6-79.10000109.7C452C429-C452 WeakPolarHBondContact CB-SG 3.41Å; C429-C452 PolarHBondContact N-SG 3.27Å; C429-C452 VanDerWaalsContact N-SG 3.4Å; C429-C452 WeakPolarHBondContact SG-CB 3.41Å; C429-C452 CovalentContact SG-SG 2.08Å; C429-C452 PolarHBondContact SG-SG 2.77Å
430E50.8Low57.2Low153 Ų153125.6 Ų125.672%0.71572%0.721SS**  trans-84.7125.4172.4-65.2-139.1155.600110.3S428 S432S428-E430 PolarHBondContact O-N 2.85Å; S428-E430 VanDerWaalsContact OG-CG 3.23Å; S428-E430 WeakPolarHBondContact OG-CG 3.38Å; S428-E430 PolarHBondContact OG-N 2.65Å; E430-S432 PolarHBondContact O-N 3.39Å
431P42Very low54.5Low78 Ų78128 Ų12851%0.50673%0.726SS.*  trans-67.6126.6164.828.9-28000107.1T433 M446P431-T433 VanDerWaalsContact C-N 3.35Å; P431-T433 PolarHBondContact O-N 2.87Å; P431-M446 HydrophobicContact CB-CE 4.19Å
432S37.4Very low51.8Low128 Ų128123.1 Ų123.190%0.89572%0.718SS**  trans-54.393.2176.6360000111.8E430E430-S432 PolarHBondContact O-N 3.39Å
433T37.7Very low48.9Very low116 Ų116121.6 Ų121.671%0.71272%0.719SS**  trans-100.489.7170.248.40000109.4P431P431-T433 VanDerWaalsContact C-N 3.35Å; P431-T433 PolarHBondContact O-N 2.87Å
434S41Very low46.3Very low105 Ų105123.6 Ų123.673%0.73472%0.723SS**SBendtrans177.183.7135.755.90000110.1
435T32.5Very low43.8Very low141 Ų141123.3 Ų123.387%0.86572%0.717SS**  43.680.9125.8-28.90000118.5
436T38.3Very low41.6Very low124 Ų124124.4 Ų124.476%0.76172%0.72SS**  trans-144104.5141.3-50.90000109.7
437E34.7Very low40.2Very low168 Ų168131.4 Ų131.479%0.78575%0.746SS**  trans68.6110.9146.8-60.9-177.8-179.600121.4
438C30.6Very low39.4Very low107 Ų107131.7 Ų131.772%0.72374%0.743SS**  83.684.9124.3-72.40000119.9
439F30.3Very low39.3Very low208 Ų208130.7 Ų130.791%0.91274%0.736SS**  4190.7122.8-82.9-88.8000118.5
440V37.5Very low40Very low129 Ų129137.2 Ų137.278%0.78276%0.757SS**  trans-144.8107.1140.9-172.80000110.6
441K35.8Very low41Very low187 Ų187135.5 Ų135.581%0.81375%0.752SS**  trans51.5105.3147.4-60.1176.6179.9176.70119.7
442S32.6Very low42.8Very low106 Ų106132.7 Ų132.774%0.74173%0.734SS**  70.9109121.7-54.40000120
443S29.2Very low45Very low110 Ų110128.5 Ų128.577%0.76970%0.704SS**  trans53.680.6139.163.70000117
444N33.4Very low47Very low157 Ų157125.4 Ų125.484%0.8469%0.687SS**  trans-132.1113.7148.3-107.4-19.9000108.2M446N444-M446 PolarHBondContact O-N 3.23Å
445T34.6Very low49.1Very low115 Ų115127.5 Ų127.571%0.70669%0.685SS**  trans-29.6125.716637.20000112.3K447T445-K447 VanDerWaalsContact C-N 3.26Å; T445-K447 PolarHBondContact O-N 2.86Å
446M39.9Very low51.5Low165 Ų165127.3 Ų127.381%0.81368%0.675SS**  trans-52.491.5164.7-80176.4117.300108.9P431 N444 L448P431-M446 HydrophobicContact CB-CE 4.19Å; N444-M446 PolarHBondContact O-N 3.23Å; M446-L448 PolarHBondContact O-N 3.48Å
447K45.8Very low53.6Low188 Ų188123.2 Ų123.282%0.81765%0.647SS**  trans-75.9102.8162.2-81.1180175.2176.60105.1T445 S449T445-K447 VanDerWaalsContact C-N 3.26Å; T445-K447 PolarHBondContact O-N 2.86Å; K447-S449 PolarHBondContact O-N 3.34Å
448L50.2Low56.1Low131 Ų131118.4 Ų118.469%0.68663%0.626SS**  trans-44127.9158.3-9387.3000106.6M446 K450M446-L448 PolarHBondContact O-N 3.48Å; L448-K450 PolarHBondContact O-N 3Å
449S59.6Low58.8Low59 Ų59116.8 Ų116.841%0.41362%0.616SS.*  trans-54.8130.2173.956.90000106.8P426 K447 N451 C452P426-S449 WeakPolarHBondContact CB-OG 3.43Å; P426-S449 WeakPolarHBondContact CG-OG 3.26Å; K447-S449 PolarHBondContact O-N 3.34Å; S449-N451 PolarHBondContact O-N 2.88Å; S449-C452 PolarHBondContact O-N 2.79Å; S449-C452 WeakPolarHBondContact OG-CB 3.15Å
450K66.3Low61.4Low207 Ų207107 Ų10790%0.957%0.574SS**THydrogen-bonded Turntrans-52.1-16.2-171.8-173.5178.1175.2-173.50113.9L448L448-K450 PolarHBondContact O-N 3Å
451N72.6Confident63.7Low116 Ų116104.2 Ų104.262%0.6255%0.553SS**THydrogen-bonded Turntrans-121.210.8-173.2-52.5-13.4000113.3P426 S449P426-N451 HydrophobicContact CG-CB 4.13Å; S449-N451 PolarHBondContact O-N 2.88Å
452C78.8Confident66.2Low19 Ų1999.6 Ų99.613%0.12854%0.537CS..PPolyproline II helixtrans-66.1126.7172-174.10000108.6P426 C429 S449P426-C452 HydrophobicContact CB-CB 4.4Å; C429-C452 WeakPolarHBondContact CB-SG 3.41Å; C429-C452 PolarHBondContact N-SG 3.27Å; C429-C452 VanDerWaalsContact N-SG 3.4Å; C429-C452 WeakPolarHBondContact SG-CB 3.41Å; C429-C452 CovalentContact SG-SG 2.08Å; C429-C452 PolarHBondContact SG-SG 2.77Å; S449-C452 PolarHBondContact O-N 2.79Å; S449-C452 WeakPolarHBondContact OG-CB 3.15Å
453P82.8Confident68.7Low41 Ų4197 Ų9727%0.26652%0.519SS..PPolyproline II helixtrans-65.2140.3176.427.9-33.5000110.4P426 L458P426-P453 WeakPolarHBondContact O-CD 3.22Å; P453-L458 HydrophobicContact CB-CD2 4.07Å; P453-L458 HydrophobicContact CB-CG 4.24Å; P453-L458 HydrophobicContact CG-CD2 3.99Å; P453-L458 HydrophobicContact CG-CG 4.39Å
454S81.2Confident71.2Confident51 Ų5194.2 Ų94.236%0.35749%0.493SS..PPolyproline II helixtrans-75.8158.3171.566.40000111.2E456 Q457 L458S454-E456 PolarHBondContact O-N 3.02Å; S454-Q457 WeakPolarHBondContact O-CB 3.48Å; S454-Q457 PolarHBondContact O-N 2.98Å; S454-Q457 VanDerWaalsContact O-N 3.07Å; S454-Q457 VanDerWaalsContact OG-CG 3.3Å; S454-Q457 WeakPolarHBondContact OG-CG 3.03Å; S454-Q457 PolarHBondContact OG-N 2.98Å; S454-Q457 PolarHBondContact OG-OE1 3.21Å; S454-L458 PolarHBondContact O-N 3.05Å
455Q84.5Confident73.8Confident148 Ų14890.2 Ų90.269%0.69247%0.471SS*.Hα-helixtrans-59.3-32.3176.2-170.961.829.800112.5L458 S459Q455-L458 PolarHBondContact O-N 3.43Å; Q455-S459 WeakPolarHBondContact O-CB 3.48Å; Q455-S459 PolarHBondContact O-N 3.43Å
456E83.1Confident76.1Confident138 Ų13889.9 Ų89.965%0.64547%0.465SS*.Hα-helixtrans-65.7-42.9175-174.9176.9-17800111.5S454 S459 A460S454-E456 PolarHBondContact O-N 3.02Å; E456-S459 PolarHBondContact O-N 3.18Å; E456-A460 VanDerWaalsContact O-CB 3.3Å; E456-A460 WeakPolarHBondContact O-CB 3.32Å; E456-A460 PolarHBondContact O-N 3.42Å
457Q83.3Confident77.8Confident37 Ų3783.5 Ų83.517%0.17344%0.437CS..Hα-helixtrans-64.3-39.8175.1-74.7167.5-26.400112.2S454 M461 S580 F581S454-Q457 WeakPolarHBondContact O-CB 3.48Å; S454-Q457 PolarHBondContact O-N 2.98Å; S454-Q457 VanDerWaalsContact O-N 3.07Å; S454-Q457 VanDerWaalsContact OG-CG 3.3Å; S454-Q457 WeakPolarHBondContact OG-CG 3.03Å; S454-Q457 PolarHBondContact OG-N 2.98Å; S454-Q457 PolarHBondContact OG-OE1 3.21Å; Q457-M461 VanDerWaalsContact O-CB 3.29Å; Q457-M461 WeakPolarHBondContact O-CB 3.35Å; Q457-M461 PolarHBondContact O-N 3.35Å; Q457-S580 WeakPolarHBondContact CG-O 3.27Å; Q457-S580 PolarHBondContact NE2-O 2.99Å; Q457-F581 HydrophobicContact CG-CE1 4.4Å
458L87.2Confident79.2Confident68 Ų6877.7 Ų77.736%0.35641%0.413SS..Hα-helixtrans-63.4-49.5175.3-66.7175.1000110.8P453 S454 Q455 A460 M461 D462P453-L458 HydrophobicContact CB-CD2 4.07Å; P453-L458 HydrophobicContact CB-CG 4.24Å; P453-L458 HydrophobicContact CG-CD2 3.99Å; P453-L458 HydrophobicContact CG-CG 4.39Å; S454-L458 PolarHBondContact O-N 3.05Å; Q455-L458 PolarHBondContact O-N 3.43Å; L458-A460 VanDerWaalsContact C-N 3.33Å; L458-A460 PolarHBondContact O-N 3.04Å; L458-M461 WeakPolarHBondContact O-CB 3.46Å; L458-M461 PolarHBondContact O-N 3.41Å; L458-M461 VanDerWaalsContact O-N 3.16Å; L458-D462 VanDerWaalsContact O-CG 3.29Å; L458-D462 PolarHBondContact O-N 3.45Å
459S87Confident80.4Confident72 Ų7276.3 Ų76.350%0.50340%0.404SS..Hα-helixtrans-62.6-37.7178.5-175.10000113.1Q455 E456 S463Q455-S459 WeakPolarHBondContact O-CB 3.48Å; Q455-S459 PolarHBondContact O-N 3.43Å; E456-S459 PolarHBondContact O-N 3.18Å; S459-S463 PolarHBondContact O-N 3.07Å; S459-S463 VanDerWaalsContact O-N 3.12Å
460A84.6Confident80.8Confident3 Ų376.6 Ų76.63%0.02540%0.401CS..Hα-helixtrans-68.1-39175.900000111.5E456 L458 F464 I576 L577E456-A460 VanDerWaalsContact O-CB 3.3Å; E456-A460 WeakPolarHBondContact O-CB 3.32Å; E456-A460 PolarHBondContact O-N 3.42Å; L458-A460 VanDerWaalsContact C-N 3.33Å; L458-A460 PolarHBondContact O-N 3.04Å; A460-F464 WeakPolarHBondContact O-CB 3.42Å; A460-F464 PolarHBondContact O-N 3.25Å; A460-I576 HydrophobicContact CB-CG2 3.83Å; A460-L577 HydrophobicContact CB-CB 4.32Å; A460-L577 HydrophobicContact CB-CD1 3.96Å
461M86Confident80.7Confident70 Ų7070.4 Ų70.435%0.34538%0.378SS..Hα-helixtrans-65.2-44.4175.6-175.66172.500111.3Q457 L458 S463 F464 I465 L577 F581Q457-M461 VanDerWaalsContact O-CB 3.29Å; Q457-M461 WeakPolarHBondContact O-CB 3.35Å; Q457-M461 PolarHBondContact O-N 3.35Å; L458-M461 WeakPolarHBondContact O-CB 3.46Å; L458-M461 PolarHBondContact O-N 3.41Å; L458-M461 VanDerWaalsContact O-N 3.16Å; M461-S463 VanDerWaalsContact C-N 3.34Å; M461-S463 PolarHBondContact O-N 3.3Å; M461-F464 PolarHBondContact O-N 3.05Å; M461-F464 HydrophobicContact SD-CD1 4.4Å; M461-I465 HydrophobicContact CG-CD1 3.84Å; M461-I465 HydrophobicContact CG-CG1 4.34Å; M461-I465 WeakPolarHBondContact O-CG1 3.36Å; M461-I465 PolarHBondContact O-N 3.2Å; M461-I465 HydrophobicContact SD-CD1 4.28Å; M461-I465 HydrophobicContact SD-CG1 4.27Å; M461-L577 HydrophobicContact CB-CD1 4.3Å; M461-L577 HydrophobicContact CE-CD1 4.05Å; M461-L577 HydrophobicContact CE-CD2 4.24Å; M461-L577 HydrophobicContact SD-CD2 4.39Å; M461-F581 HydrophobicContact CE-CZ 4.45Å
462D87.7Confident79.8Confident90 Ų9071.2 Ų71.248%0.48137%0.373SS..Hα-helixtrans-60.4-44.1177.6-67.5-24.4000111.2L458 F464 I465 N466L458-D462 VanDerWaalsContact O-CG 3.29Å; L458-D462 PolarHBondContact O-N 3.45Å; D462-F464 VanDerWaalsContact C-N 3.33Å; D462-F464 PolarHBondContact O-N 3.06Å; D462-I465 PolarHBondContact O-N 3.02Å; D462-N466 WeakPolarHBondContact O-CB 3.48Å; D462-N466 PolarHBondContact O-N 3.43Å; D462-N466 PolarHBondContact O-ND2 2.77Å
463S84Confident78.4Confident53 Ų5375.3 Ų75.337%0.37140%0.402SS..Hα-helixtrans-61.4-41.5175.3179.20000112.1S459 M461 S467 S573S459-S463 PolarHBondContact O-N 3.07Å; S459-S463 VanDerWaalsContact O-N 3.12Å; M461-S463 VanDerWaalsContact C-N 3.34Å; M461-S463 PolarHBondContact O-N 3.3Å; S463-S467 PolarHBondContact O-N 3.39Å; S463-S467 VanDerWaalsContact O-N 3.1Å; S463-S467 PolarHBondContact O-OG 3.4Å; S463-S573 WeakPolarHBondContact OG-CB 3.27Å
464F83.5Confident76.4Confident51 Ų5179.9 Ų79.922%0.22442%0.424CS..Hα-helixtrans-66.3-46.2177.1179.3-107.6000112.2A460 M461 D462 N466 S467 M468 R574 L577A460-F464 WeakPolarHBondContact O-CB 3.42Å; A460-F464 PolarHBondContact O-N 3.25Å; M461-F464 PolarHBondContact O-N 3.05Å; M461-F464 HydrophobicContact SD-CD1 4.4Å; D462-F464 VanDerWaalsContact C-N 3.33Å; D462-F464 PolarHBondContact O-N 3.06Å; F464-N466 PolarHBondContact O-N 2.83Å; F464-S467 WeakPolarHBondContact CA-OG 3.49Å; F464-S467 PolarHBondContact O-N 2.57Å; F464-S467 VanDerWaalsContact O-N 3.16Å; F464-S467 PolarHBondContact O-OG 3.24Å; F464-M468 HydrophobicContact CD2-CG 4.39Å; F464-M468 HydrophobicContact CE1-CG 4.37Å; F464-M468 HydrophobicContact CE2-CG 3.87Å; F464-M468 HydrophobicContact CZ-CE 4.2Å; F464-M468 HydrophobicContact CZ-CG 3.86Å; F464-M468 PolarHBondContact O-N 2.86Å; F464-M468 VanDerWaalsContact O-N 3.11Å; F464-R574 HydrophobicContact CD2-CB 4.41Å; F464-R574 HydrophobicContact CE2-CB 4.37Å; F464-L577 HydrophobicContact CB-CD2 3.96Å; F464-L577 HydrophobicContact CD1-CD2 3.85Å; F464-L577 HydrophobicContact CD2-CD2 4.4Å; F464-L577 HydrophobicContact CE1-CD2 4.48Å; F464-L577 HydrophobicContact CG-CD2 3.8Å
465I86.4Confident74.3Confident72 Ų7280.6 Ų80.637%0.36944%0.44SS..Hα-helixtrans-57.6-49.5176.8-70.3168.9000110.1M461 D462 S467 M468 M469M461-I465 HydrophobicContact CG-CD1 3.84Å; M461-I465 HydrophobicContact CG-CG1 4.34Å; M461-I465 WeakPolarHBondContact O-CG1 3.36Å; M461-I465 PolarHBondContact O-N 3.2Å; M461-I465 HydrophobicContact SD-CD1 4.28Å; M461-I465 HydrophobicContact SD-CG1 4.27Å; D462-I465 PolarHBondContact O-N 3.02Å; I465-S467 PolarHBondContact O-N 2.84Å; I465-M468 CarbonylContact O-C 3.44Å; I465-M468 PolarHBondContact O-N 3.3Å; I465-M469 HydrophobicContact CG2-CE 3.76Å; I465-M469 HydrophobicContact CG2-CG 4.17Å; I465-M469 WeakPolarHBondContact O-CG 3.43Å; I465-M469 PolarHBondContact O-N 3.14Å
466N83.2Confident72.2Confident108 Ų10877.5 Ų77.558%0.57843%0.434SS*.Hα-helixtrans-60.4-35.2179.4-69.6-17.5000112.2D462 F464 M468D462-N466 WeakPolarHBondContact O-CB 3.48Å; D462-N466 PolarHBondContact O-N 3.43Å; D462-N466 PolarHBondContact O-ND2 2.77Å; F464-N466 PolarHBondContact O-N 2.83Å; N466-M468 VanDerWaalsContact C-N 3.3Å; N466-M468 PolarHBondContact O-N 2.83Å
467S76.6Confident70Confident32 Ų3278.3 Ų78.322%0.22444%0.443CS..Hα-helixtrans-73.1-19.4175.666.80000114.4S463 F464 I465 S573S463-S467 PolarHBondContact O-N 3.39Å; S463-S467 VanDerWaalsContact O-N 3.1Å; S463-S467 PolarHBondContact O-OG 3.4Å; F464-S467 WeakPolarHBondContact CA-OG 3.49Å; F464-S467 PolarHBondContact O-N 2.57Å; F464-S467 VanDerWaalsContact O-N 3.16Å; F464-S467 PolarHBondContact O-OG 3.24Å; I465-S467 PolarHBondContact O-N 2.84Å; S467-S573 PolarHBondContact OG-OG 3.35Å
468M74.9Confident67.9Low65 Ų6584 Ų8432%0.3247%0.474SS..Hα-helixtrans-112.32.5-175.7-76.9-78.1-87.800113.5F464 I465 N466 L470 L570F464-M468 HydrophobicContact CD2-CG 4.39Å; F464-M468 HydrophobicContact CE1-CG 4.37Å; F464-M468 HydrophobicContact CE2-CG 3.87Å; F464-M468 HydrophobicContact CZ-CE 4.2Å; F464-M468 HydrophobicContact CZ-CG 3.86Å; F464-M468 PolarHBondContact O-N 2.86Å; F464-M468 VanDerWaalsContact O-N 3.11Å; I465-M468 CarbonylContact O-C 3.44Å; I465-M468 PolarHBondContact O-N 3.3Å; N466-M468 VanDerWaalsContact C-N 3.3Å; N466-M468 PolarHBondContact O-N 2.83Å; M468-L470 PolarHBondContact O-N 2.82Å; M468-L570 HydrophobicContact CG-CD1 4.25Å; M468-L570 HydrophobicContact SD-CD1 3.69Å; M468-L570 HydrophobicContact SD-CG 4.4Å
469M74.2Confident65.7Low102 Ų10288 Ų8850%0.50250%0.497SS..  trans-65.6124.2177.5-82.5-154.7175.600110.6I465 N471I465-M469 HydrophobicContact CG2-CE 3.76Å; I465-M469 HydrophobicContact CG2-CG 4.17Å; I465-M469 WeakPolarHBondContact O-CG 3.43Å; I465-M469 PolarHBondContact O-N 3.14Å; M469-N471 VanDerWaalsContact C-N 3.31Å; M469-N471 PolarHBondContact O-N 2.91Å
470L69.8Low63.4Low65 Ų6592.4 Ų92.434%0.3451%0.514SS..SBendtrans-81.8-6.8-177.7-60177.7000114.1M468 I504M468-L470 PolarHBondContact O-N 2.82Å; L470-I504 PolarHBondContact O-N 3.21Å
471N63.9Low61.3Low78 Ų78100.2 Ų100.242%0.41756%0.556SS.*BIsolated β-bridgetrans-120.9119.3-178.9-61-15.6000108.9M469 R503M469-N471 VanDerWaalsContact C-N 3.31Å; M469-N471 PolarHBondContact O-N 2.91Å; N471-R503 WeakPolarHBondContact OD1-CD 3.47Å; N471-R503 WeakPolarHBondContact OD1-CG 3.48Å
472Y53.7Low58.9Low132 Ų132104.5 Ų104.552%0.51858%0.58SS.*  trans-90.6120.6162.5-65.4-77.1000108.3I504Y472-I504 HydrophobicContact CD2-CD1 4.09Å; Y472-I504 HydrophobicContact CE2-CD1 3.58Å
473S48.1Very low56.6Low105 Ų105107.2 Ų107.273%0.73460%0.595SS**  trans-81.8119.5148.652.10000105.7G475S473-G475 PolarHBondContact O-N 3.48Å
474D41.5Very low54.5Low138 Ų138109.8 Ų109.874%0.73861%0.612SS**  trans-61.2106.2173-149.21.8000107.7S476D474-S476 PolarHBondContact O-N 3.29Å
475G38.4Very low52.1Low66 Ų66111.6 Ų111.668%0.6865%0.645SS**  trans-8835.8-17100000113.2S473S473-G475 PolarHBondContact O-N 3.48Å
476S38.7Very low49.4Very low82 Ų82111.7 Ų111.757%0.57366%0.664SS**  trans-92.611.4-175.163.50000115.4D474 D478D474-S476 PolarHBondContact O-N 3.29Å; S476-D478 VanDerWaalsContact C-N 3.29Å; S476-D478 PolarHBondContact O-N 3.15Å
477D38.2Very low47Very low156 Ų156112.7 Ų112.783%0.83467%0.674SS**  trans-92.840.3177.7-74.3-7.6000113.1D479D477-D479 VanDerWaalsContact C-N 3.35Å; D477-D479 PolarHBondContact O-N 3.1Å
478D38.5Very low44.9Very low155 Ų155119.6 Ų119.683%0.82971%0.708SS**  trans-91.168.9161.5-84.5-21.8000109.1S476S476-D478 VanDerWaalsContact C-N 3.29Å; S476-D478 PolarHBondContact O-N 3.15Å
479D40.9Very low42.9Very low154 Ų154122.6 Ų122.682%0.82473%0.725SS**  trans-114.297160.7-87.1-30.8000108.8D477 D481D477-D479 VanDerWaalsContact C-N 3.35Å; D477-D479 PolarHBondContact O-N 3.1Å; D479-D481 PolarHBondContact O-N 3.24Å; D479-D481 VanDerWaalsContact O-N 3.11Å
480D38.7Very low40.9Very low163 Ų163127.3 Ų127.387%0.87274%0.742SS**  trans-52.4103.7163.5-88.9-45.1000110.4
481D40.9Very low39.1Very low168 Ų168135.1 Ų135.190%0.89877%0.767SS**  trans-133.199156.5-94.9-30.5000111.1D479D479-D481 PolarHBondContact O-N 3.24Å; D479-D481 VanDerWaalsContact O-N 3.11Å
482N34.8Very low37.7Very low160 Ų160138 Ų13886%0.85678%0.783SS**  trans-90.9104179.4-172.418.6000108.7
483D39.4Very low36.6Very low147 Ų147140.5 Ų140.579%0.78680%0.799SS**  trans-162.6131.6146.7-138-21.9000115
484S40.3Very low35.9Very low106 Ų106141 Ų14174%0.74179%0.794SS**  trans70.486.8148.6-69.70000120.8
485G32.7Very low35.4Very low89 Ų89140.5 Ų140.592%0.91879%0.791SS**  86107.1118.200000119.5
486G30Very low35.1Very low74 Ų74143.5 Ų143.576%0.76380%0.796SS**  trans133.4105.6146.600000116.6
487V34Very low34.9Very low129 Ų129146.6 Ų146.678%0.78280%0.801SS**  trans67.495.7154.9-166.30000116.5N489V487-N489 PolarHBondContact O-N 3.39Å
488L31.7Very low34.3Very low178 Ų178144.7 Ų144.793%0.93279%0.791SS**  trans-61.498.5165.6-81.2143.8000111.1
489N32.6Very low34.2Very low127 Ų127143.7 Ų143.768%0.67979%0.793SS**  trans-95.9114.7154.7-80.8-26.5000107.7V487 R491V487-N489 PolarHBondContact O-N 3.39Å; N489-R491 PolarHBondContact O-N 3.03Å; N489-R491 VanDerWaalsContact O-N 3.17Å
490K32.2Very low33.8Very low202 Ų202140 Ų14088%0.87878%0.779SS**  trans-55.9115162.3-70.9179.1173.4-175.10107.4
491R32.5Very low33.7Very low228 Ų228134.7 Ų134.786%0.8676%0.755SS**  trans-110.4120.8167.7-81.9-175.8178.9163.4-0.1107.1N489N489-R491 PolarHBondContact O-N 3.03Å; N489-R491 VanDerWaalsContact O-N 3.17Å
492D34.3Very low33.7Very low138 Ų138130.5 Ų130.574%0.73874%0.739SS**  trans-61.7130.8-179.4-64.1-55.5000111.1N494D492-N494 PolarHBondContact O-N 2.93Å
493E31.5Very low34.5Very low186 Ų186129.1 Ų129.187%0.86972%0.721SS**  trans-66101.1157.8-66.1170.8153.400107.1
494N32.8Very low35.3Very low115 Ų115125 Ų12562%0.61570%0.699SS**  trans-167.6121.4155.5-83.4-38000109D492D492-N494 PolarHBondContact O-N 2.93Å
495D29.6Very low36.2Very low128 Ų128120.7 Ų120.768%0.68467%0.667SS**  trans67.671.2159-53.3-33.3000118.3
496V33.7Very low37.8Very low128 Ų128121.1 Ų121.178%0.77664%0.644SS**  trans-120.2120.2141.8-179.40000106.6N498V496-N498 PolarHBondContact O-N 2.86Å
497E33.3Very low39.7Very low147 Ų147122.2 Ų122.269%0.68764%0.636SS**  trans-56.589.5169.4-68.2-163.6137.600109.7H400 P499H400-E497 IonicContact CE1-OE1 3.11Å; H400-E497 PolarHBondContact CE1-OE1 2.88Å; H400-E497 IonicContact CE1-OE2 3.73Å; H400-E497 IonicContact NE2-OE1 2.79Å; H400-E497 IonicContact NE2-OE2 3.31Å; E497-P499 VanDerWaalsContact O-CD 3.22Å; E497-P499 WeakPolarHBondContact O-CD 3.31Å
498N27.1Very low41.5Very low116 Ų116124.9 Ų124.962%0.6264%0.64SS**  trans-71.2116.1162-99.5-9000106.9V496 S500V496-N498 PolarHBondContact O-N 2.86Å; N498-S500 PolarHBondContact O-N 2.81Å
499P34.6Very low43.2Very low134 Ų134121 Ų12187%0.8761%0.612SS**THydrogen-bonded Turntrans-65.8-1.3176.8-14.930.1000113.2E497E497-P499 VanDerWaalsContact O-CD 3.22Å; E497-P499 WeakPolarHBondContact O-CD 3.31Å
500S33.2Very low45Very low77 Ų77116.5 Ų116.554%0.53859%0.588SS.*THydrogen-bonded Turntrans-101.1-0.9-172.948.20000115.1N498 S502N498-S500 PolarHBondContact O-N 2.81Å; S500-S502 PolarHBondContact O-N 2.83Å
501S36.3Very low47Very low52 Ų52107.7 Ų107.736%0.36455%0.552SS.*  trans-7884.6165.8-164.60000108.5R503S501-R503 PolarHBondContact O-N 2.83Å
502S41.9Very low49.2Very low80 Ų80100.2 Ų100.256%0.55953%0.529SS*.  trans-66.869.5172.949.40000109.8S500 I504S500-S502 PolarHBondContact O-N 2.83Å; S502-I504 PolarHBondContact O-N 3.13Å; S502-I504 VanDerWaalsContact O-N 3.15Å
503R50.6Low51.2Low130 Ų13095.8 Ų95.849%0.49151%0.508SS..BIsolated β-bridgetrans-58.1119.9165.3-61.6-169.5-176.2169.11.1106.7N471 S501 L505N471-R503 WeakPolarHBondContact OD1-CD 3.47Å; N471-R503 WeakPolarHBondContact OD1-CG 3.48Å; S501-R503 PolarHBondContact O-N 2.83Å; R503-L505 PolarHBondContact O-N 3.3Å
504I55.7Low53.5Low61 Ų6194 Ų9431%0.31349%0.493SS..SBendtrans-56.1-42.5174.8-71.1168.3000108.1L470 Y472 S502 E556L470-I504 PolarHBondContact O-N 3.21Å; Y472-I504 HydrophobicContact CD2-CD1 4.09Å; Y472-I504 HydrophobicContact CE2-CD1 3.58Å; S502-I504 PolarHBondContact O-N 3.13Å; S502-I504 VanDerWaalsContact O-N 3.15Å; I504-E556 HydrophobicContact CG2-CB 4.25Å; I504-E556 WeakPolarHBondContact CG2-OE2 3.3Å
505L60.8Low55.8Low15 Ų1589.4 Ų89.48%0.07947%0.469CS..  trans-123119.3-175.2-168.590.4000114R503 V507 I510 G553 E556 I557R503-L505 PolarHBondContact O-N 3.3Å; L505-V507 HydrophobicContact CD2-CG2 3.51Å; L505-V507 HydrophobicContact CG-CG2 4.43Å; L505-I510 HydrophobicContact CD1-CD1 3.91Å; L505-I510 HydrophobicContact CD2-CD1 4.31Å; L505-I510 HydrophobicContact CG-CD1 4.19Å; L505-G553 VanDerWaalsContact CD1-O 3.3Å; L505-G553 WeakPolarHBondContact CD1-O 3.27Å; L505-E556 HydrophobicContact CD1-CB 4.44Å; L505-I557 HydrophobicContact CD1-CD1 3.68Å; L505-I557 HydrophobicContact CD1-CG1 3.24Å; L505-I557 HydrophobicContact CD2-CD1 3.18Å; L505-I557 HydrophobicContact CD2-CG1 3.43Å; L505-I557 VanDerWaalsContact CD2-CG1 3.43Å; L505-I557 HydrophobicContact CG-CD1 3.98Å; L505-I557 HydrophobicContact CG-CG1 3.86Å
506K65.6Low58.1Low99 Ų9984.6 Ų84.643%0.4344%0.442SS..  trans-96.486.1167.7-69.1-176.5-178.9-178.70110.8Q508 R509K506-Q508 PolarHBondContact O-N 2.95Å; K506-R509 HydrophobicContact CB-CG 4.13Å; K506-R509 WeakPolarHBondContact O-CB 3.26Å; K506-R509 PolarHBondContact O-N 3.5Å
507V70.8Confident60.3Low97 Ų9781.3 Ų81.359%0.58842%0.416SS*.G310 helixtrans-48.7-36.5179.5-176.40000112.9L505 R509 I510L505-V507 HydrophobicContact CD2-CG2 3.51Å; L505-V507 HydrophobicContact CG-CG2 4.43Å; V507-R509 PolarHBondContact O-N 3.02Å; V507-R509 VanDerWaalsContact O-N 3.11Å; V507-I510 PolarHBondContact O-N 3.31Å
508Q71.1Confident62.7Low185 Ų18575.8 Ų75.886%0.86439%0.39SS*.G310 helixtrans-61.4-19.3180-65.4174.4-10.400114.2K506K506-Q508 PolarHBondContact O-N 2.95Å
509R67.3Low65.5Low95 Ų9570.9 Ų70.936%0.35836%0.363SS..G310 helixtrans-90-21.1177.3-62.4-177.2175.7-176-6.8112.1T213 K506 V507 S511T213-R509 HydrophobicContact CG2-CB 3.83Å; T213-R509 CarbonylContact O-C 3.53Å; K506-R509 HydrophobicContact CB-CG 4.13Å; K506-R509 WeakPolarHBondContact O-CB 3.26Å; K506-R509 PolarHBondContact O-N 3.5Å; V507-R509 PolarHBondContact O-N 3.02Å; V507-R509 VanDerWaalsContact O-N 3.11Å; R509-S511 PolarHBondContact O-N 3.35Å
510I70.9Confident67.7Low34 Ų3465.3 Ų65.317%0.17433%0.328CS..SBendtrans-72.6124.5-177.6-54.3175000109.4T213 L505 V507 G553 L554 I557T213-I510 HydrophobicContact CG2-CG1 3.95Å; L505-I510 HydrophobicContact CD1-CD1 3.91Å; L505-I510 HydrophobicContact CD2-CD1 4.31Å; L505-I510 HydrophobicContact CG-CD1 4.19Å; V507-I510 PolarHBondContact O-N 3.31Å; I510-G553 WeakPolarHBondContact CD1-O 3.3Å; I510-L554 HydrophobicContact CD1-CD1 4.38Å; I510-L554 HydrophobicContact CG2-CD1 4.42Å; I510-I557 HydrophobicContact CD1-CD1 4.09Å
511S73.1Confident70.1Confident16 Ų1662.7 Ų62.711%0.11231%0.31CS..PPolyproline II helixtrans-71.1154.5175.9-73.20000111.4K32 R509 P513K32-S511 PolarHBondContact NZ-OG 2.9Å; R509-S511 PolarHBondContact O-N 3.35Å; S511-P513 WeakPolarHBondContact O-CD 3.41Å; S511-P513 VanDerWaalsContact O-N 3.13Å
512N78.4Confident72.6Confident72 Ų7263.2 Ų63.239%0.38531%0.308SS..PPolyproline II helixtrans-60.7117.9179-177.2-25.4000110.6W514 I515 Q516N512-W514 VanDerWaalsContact C-N 3.29Å; N512-W514 PolarHBondContact O-N 3.47Å; N512-W514 WeakPolarHBondContact OD1-CB 3.33Å; N512-W514 PolarHBondContact OD1-N 3.31Å; N512-I515 HydrophobicContact CB-CB 4.45Å; N512-I515 HydrophobicContact CB-CD1 4.02Å; N512-I515 HydrophobicContact CB-CG1 4.13Å; N512-I515 PolarHBondContact O-N 3.41Å; N512-Q516 PolarHBondContact O-N 3.26Å
513P76.3Confident74.7Confident45 Ų4561.2 Ų61.229%0.29229%0.288SS..Hα-helixtrans-62.9-36.9-174.124.6-35.2000112.3S511 I515 Q516 R517 F551S511-P513 WeakPolarHBondContact O-CD 3.41Å; S511-P513 VanDerWaalsContact O-N 3.13Å; P513-I515 VanDerWaalsContact C-N 3.28Å; P513-I515 PolarHBondContact O-N 2.86Å; P513-Q516 PolarHBondContact O-N 3.11Å; P513-R517 WeakPolarHBondContact O-CB 3.26Å; P513-R517 PolarHBondContact O-N 2.9Å; P513-F551 HydrophobicContact CB-CD1 3.19Å; P513-F551 HydrophobicContact CB-CE1 3.08Å; P513-F551 HydrophobicContact CB-CG 4.15Å; P513-F551 HydrophobicContact CB-CZ 3.95Å; P513-F551 WeakPolarHBondContact O-CE1 3.06Å
514W80.6Confident76.3Confident147 Ų14759.2 Ų59.256%0.55728%0.283SS*.Hα-helixtrans-62.4-37.6-179.2-175.393.4000112P253 N512 F518P253-W514 HydrophobicContact CB-CH2 4.15Å; P253-W514 HydrophobicContact CB-CZ3 3.69Å; P253-W514 HydrophobicContact CG-CH2 3.62Å; P253-W514 HydrophobicContact CG-CZ3 3.39Å; N512-W514 VanDerWaalsContact C-N 3.29Å; N512-W514 PolarHBondContact O-N 3.47Å; N512-W514 WeakPolarHBondContact OD1-CB 3.33Å; N512-W514 PolarHBondContact OD1-N 3.31Å; W514-F518 WeakPolarHBondContact O-CB 3.47Å; W514-F518 PolarHBondContact O-N 2.94Å
515I82.2Confident77.7Confident20 Ų2061.1 Ų61.110%0.10329%0.286CS..Hα-helixtrans-71.5-43.2178.3-60.5178.9000111A251 N512 P513 R517 F518 F519A251-I515 HydrophobicContact CB-CD1 3.89Å; N512-I515 HydrophobicContact CB-CB 4.45Å; N512-I515 HydrophobicContact CB-CD1 4.02Å; N512-I515 HydrophobicContact CB-CG1 4.13Å; N512-I515 PolarHBondContact O-N 3.41Å; P513-I515 VanDerWaalsContact C-N 3.28Å; P513-I515 PolarHBondContact O-N 2.86Å; I515-R517 VanDerWaalsContact C-N 3.33Å; I515-R517 PolarHBondContact O-N 3.46Å; I515-F518 WeakPolarHBondContact O-CB 3.27Å; I515-F518 PolarHBondContact O-N 2.74Å; I515-F519 HydrophobicContact CG2-CD2 4.12Å; I515-F519 HydrophobicContact CG2-CE1 4.17Å; I515-F519 HydrophobicContact CG2-CE2 3.59Å; I515-F519 HydrophobicContact CG2-CZ 3.63Å; I515-F519 WeakPolarHBondContact O-CG 3.23Å; I515-F519 PolarHBondContact O-N 3.42Å
516Q77.4Confident79Confident27 Ų2762.2 Ų62.213%0.12630%0.301CS..Hα-helixtrans-61.4-43.7176.4-73.2-179.3-3400111.3N512 P513 F518 F519 A520 F551N512-Q516 PolarHBondContact O-N 3.26Å; P513-Q516 PolarHBondContact O-N 3.11Å; Q516-F518 VanDerWaalsContact C-N 3.31Å; Q516-F518 PolarHBondContact O-N 2.98Å; Q516-F519 PolarHBondContact O-N 3.12Å; Q516-A520 PolarHBondContact O-N 3.45Å; Q516-F551 HydrophobicContact CB-CE1 4.46Å
517R79.7Confident80Confident59 Ų5960.7 Ų60.722%0.22330%0.297CS..Hα-helixtrans-60.7-41.9174.1175.954.8178.3-169.30.9111.9P513 I515 F519 A520 C521 P534 M550 F551P513-R517 WeakPolarHBondContact O-CB 3.26Å; P513-R517 PolarHBondContact O-N 2.9Å; I515-R517 VanDerWaalsContact C-N 3.33Å; I515-R517 PolarHBondContact O-N 3.46Å; R517-F519 VanDerWaalsContact C-N 3.35Å; R517-A520 PolarHBondContact O-N 2.89Å; R517-C521 PolarHBondContact NE-SG 2.75Å; R517-C521 PolarHBondContact O-N 3.4Å; R517-C521 PolarHBondContact O-SG 2.86Å; R517-C521 VanDerWaalsContact O-SG 3.34Å; R517-P534 PolarHBondContact NH2-O 3.22Å; R517-M550 PolarHBondContact NH1-SD 2.8Å; R517-F551 HydrophobicContact CB-CZ 4.28Å
518F84.4Confident80.8Confident31 Ų3159 Ų5914%0.13629%0.285CS..Hα-helixtrans-58.8-47.3177.1177-115.8000111.5P253 M256 W514 I515 Q516 C521 L522P253-F518 HydrophobicContact CB-CD1 3.89Å; P253-F518 HydrophobicContact CB-CE1 4.01Å; M256-F518 HydrophobicContact CE-CD2 4.13Å; M256-F518 HydrophobicContact CE-CE2 3.23Å; M256-F518 HydrophobicContact CE-CZ 3.63Å; W514-F518 WeakPolarHBondContact O-CB 3.47Å; W514-F518 PolarHBondContact O-N 2.94Å; I515-F518 WeakPolarHBondContact O-CB 3.27Å; I515-F518 PolarHBondContact O-N 2.74Å; Q516-F518 VanDerWaalsContact C-N 3.31Å; Q516-F518 PolarHBondContact O-N 2.98Å; F518-C521 WeakPolarHBondContact O-CB 3.39Å; F518-C521 PolarHBondContact O-N 3.3Å; F518-L522 HydrophobicContact CD1-CD1 4.2Å; F518-L522 HydrophobicContact CE1-CD1 3.58Å; F518-L522 HydrophobicContact CE1-CG 4.27Å; F518-L522 HydrophobicContact CE2-CD1 4.26Å; F518-L522 HydrophobicContact CE2-CD2 4.15Å; F518-L522 HydrophobicContact CE2-CG 4.08Å; F518-L522 HydrophobicContact CZ-CD1 3.62Å; F518-L522 HydrophobicContact CZ-CD2 4.07Å; F518-L522 HydrophobicContact CZ-CG 3.94Å; F518-L522 WeakPolarHBondContact O-CG 3.21Å; F518-L522 PolarHBondContact O-N 2.7Å
519F85Confident81.4Confident13 Ų1354.9 Ų54.96%0.05727%0.274CS..Hα-helixtrans-61.6-44175.3-67.7-14.3000112.7E31 K32 F35 P254 I515 Q516 R517 C521 L522 R523E31-F519 HydrophobicContact CG-CB 4.37Å; E31-F519 WeakPolarHBondContact OE1-CB 3.48Å; K32-F519 HydrophobicContact CG-CE2 4.12Å; F35-F519 HydrophobicContact CB-CD1 3.4Å; F35-F519 HydrophobicContact CB-CD2 4.32Å; F35-F519 HydrophobicContact CB-CE1 3.39Å; F35-F519 HydrophobicContact CB-CE2 4.31Å; F35-F519 HydrophobicContact CB-CG 3.9Å; F35-F519 HydrophobicContact CB-CZ 3.87Å; F35-F519 HydrophobicContact CD2-CB 3.55Å; F35-F519 AromaticContact CD2-CD1 3.83Å; F35-F519 HydrophobicContact CD2-CD1 3.83Å; F35-F519 HydrophobicContact CD2-CD2 4.41Å; F35-F519 AromaticContact CD2-CG 3.68Å; F35-F519 HydrophobicContact CD2-CG 3.68Å; F35-F519 HydrophobicContact CE2-CB 4.03Å; F35-F519 VanDerWaalsContact CE2-O 3.28Å; F35-F519 WeakPolarHBondContact CE2-O 3.42Å; F35-F519 HydrophobicContact CG-CB 4.43Å; F35-F519 AromaticContact CG-CD1 3.84Å; F35-F519 HydrophobicContact CG-CD1 3.84Å; F35-F519 HydrophobicContact CG-CE1 4.32Å; F35-F519 HydrophobicContact CG-CG 4.16Å; P254-F519 HydrophobicContact CG-CE1 4.22Å; I515-F519 HydrophobicContact CG2-CD2 4.12Å; I515-F519 HydrophobicContact CG2-CE1 4.17Å; I515-F519 HydrophobicContact CG2-CE2 3.59Å; I515-F519 HydrophobicContact CG2-CZ 3.63Å; I515-F519 WeakPolarHBondContact O-CG 3.23Å; I515-F519 PolarHBondContact O-N 3.42Å; Q516-F519 PolarHBondContact O-N 3.12Å; R517-F519 VanDerWaalsContact C-N 3.35Å; F519-C521 VanDerWaalsContact C-N 3.28Å; F519-C521 PolarHBondContact O-N 2.92Å; F519-L522 HydrophobicContact CD1-CD1 4.4Å; F519-L522 CarbonylContact O-C 3.57Å; F519-L522 WeakPolarHBondContact O-CB 3.27Å; F519-L522 PolarHBondContact O-N 2.82Å; F519-R523 PolarHBondContact O-N 2.89Å
520A80.4Confident82.1Confident17 Ų1755 Ų5514%0.1429%0.29CS..Hα-helixtrans-60.9-38.7177.400000112E31 Q516 R517 K524E31-A520 VanDerWaalsContact OE1-CA 3.32Å; E31-A520 WeakPolarHBondContact OE1-CA 3.28Å; E31-A520 PolarHBondContact OE1-N 2.87Å; Q516-A520 PolarHBondContact O-N 3.45Å; R517-A520 PolarHBondContact O-N 2.89Å; A520-K524 WeakPolarHBondContact O-CB 3.36Å; A520-K524 WeakPolarHBondContact O-CG 3.47Å; A520-K524 PolarHBondContact O-N 3.32Å
521C84.1Confident82.5Confident22 Ų2256.7 Ų56.715%0.14930%0.301CS..Hα-helixtrans-64.5-43.2173.4-73.10000112.1R517 F518 F519 K524 R525 L533R517-C521 PolarHBondContact NE-SG 2.75Å; R517-C521 PolarHBondContact O-N 3.4Å; R517-C521 PolarHBondContact O-SG 2.86Å; R517-C521 VanDerWaalsContact O-SG 3.34Å; F518-C521 WeakPolarHBondContact O-CB 3.39Å; F518-C521 PolarHBondContact O-N 3.3Å; F519-C521 VanDerWaalsContact C-N 3.28Å; F519-C521 PolarHBondContact O-N 2.92Å; C521-K524 PolarHBondContact O-N 2.84Å; C521-R525 WeakPolarHBondContact O-CB 3.38Å; C521-R525 PolarHBondContact O-N 2.84Å; C521-L533 HydrophobicContact CB-CD2 3.75Å
522L87.8Confident82.6Confident63 Ų6360.4 Ų60.433%0.3333%0.325SS..Hα-helixtrans-63.2-42.6176-70.3-178.6000111.8F35 F518 F519 G526F35-L522 HydrophobicContact CD1-CB 4.2Å; F35-L522 HydrophobicContact CD1-CD1 3.82Å; F35-L522 HydrophobicContact CE1-CB 3.64Å; F35-L522 HydrophobicContact CE1-CD1 4.09Å; F35-L522 HydrophobicContact CE2-CB 4.14Å; F35-L522 HydrophobicContact CG-CD1 4.22Å; F35-L522 HydrophobicContact CZ-CB 3.61Å; F518-L522 HydrophobicContact CD1-CD1 4.2Å; F518-L522 HydrophobicContact CE1-CD1 3.58Å; F518-L522 HydrophobicContact CE1-CG 4.27Å; F518-L522 HydrophobicContact CE2-CD1 4.26Å; F518-L522 HydrophobicContact CE2-CD2 4.15Å; F518-L522 HydrophobicContact CE2-CG 4.08Å; F518-L522 HydrophobicContact CZ-CD1 3.62Å; F518-L522 HydrophobicContact CZ-CD2 4.07Å; F518-L522 HydrophobicContact CZ-CG 3.94Å; F518-L522 WeakPolarHBondContact O-CG 3.21Å; F518-L522 PolarHBondContact O-N 2.7Å; F519-L522 HydrophobicContact CD1-CD1 4.4Å; F519-L522 CarbonylContact O-C 3.57Å; F519-L522 WeakPolarHBondContact O-CB 3.27Å; F519-L522 PolarHBondContact O-N 2.82Å; L522-G526 WeakPolarHBondContact O-CA 3.44Å; L522-G526 PolarHBondContact O-N 3.31Å
523R86.3Confident82.3Confident38 Ų3860.4 Ų60.414%0.14333%0.325CS..Hα-helixtrans-61.4-50.8176.1-178.8177.863.397.1-1.4110.8E31 F35 F519 R525 G526 L527E31-R523 WeakPolarHBondContact OE2-CD 3.34Å; E31-R523 IonicContact OE2-CZ 2.9Å; E31-R523 IonicContact OE2-NE 3.8Å; E31-R523 PolarHBondContact OE2-NE 3.19Å; F35-R523 HydrophobicContact CE2-CB 4.06Å; F35-R523 HydrophobicContact CZ-CB 4.01Å; F519-R523 PolarHBondContact O-N 2.89Å; R523-R525 PolarHBondContact O-N 3.05Å; R523-G526 PolarHBondContact O-N 3.33Å; R523-L527 HydrophobicContact CG-CD1 3.68Å; R523-L527 HydrophobicContact CG-CG 4.22Å; R523-L527 WeakPolarHBondContact O-CB 3.46Å; R523-L527 WeakPolarHBondContact O-CG 3.42Å; R523-L527 PolarHBondContact O-N 2.87Å
524K84.2Confident81.4Confident88 Ų8860.3 Ų60.338%0.38332%0.324SS..Hα-helixtrans-58.7-46.7-179.7-76.3-173.9177.3-171.40111.8A520 C521 D528 P534A520-K524 WeakPolarHBondContact O-CB 3.36Å; A520-K524 WeakPolarHBondContact O-CG 3.47Å; A520-K524 PolarHBondContact O-N 3.32Å; C521-K524 PolarHBondContact O-N 2.84Å; K524-D528 CarbonylContact O-C 3.55Å; K524-D528 WeakPolarHBondContact O-CA 3.26Å; K524-D528 PolarHBondContact O-N 2.95Å; K524-P534 HydrophobicContact CD-CG 3.89Å
525R85.9Confident80.2Confident101 Ų10158.2 Ų58.238%0.38132%0.323SS..Hα-helixtrans-71.6-29.8177-75.7-65.6-163176.50.2114.1C521 R523 D528 P529 V531 L533C521-R525 WeakPolarHBondContact O-CB 3.38Å; C521-R525 PolarHBondContact O-N 2.84Å; R523-R525 PolarHBondContact O-N 3.05Å; R525-D528 CarbonylContact O-C 3.57Å; R525-P529 PolarHBondContact NH1-O 3.1Å; R525-P529 WeakPolarHBondContact O-CA 3.3Å; R525-V531 PolarHBondContact NE-O 3.04Å; R525-V531 PolarHBondContact NH1-O 3.29Å; R525-L533 HydrophobicContact CG-CD2 3.52Å; R525-L533 HydrophobicContact CG-CG 4.16Å
526G87.7Confident78.5Confident38 Ų3859.2 Ų59.239%0.39233%0.332SS..Hα-helixtrans-73.8-38.5178.300000112.9L522 R523L522-G526 WeakPolarHBondContact O-CA 3.44Å; L522-G526 PolarHBondContact O-N 3.31Å; R523-G526 PolarHBondContact O-N 3.33Å
527L86.8Confident77.1Confident67 Ų6763.7 Ų63.735%0.35135%0.351SS..Hα-helixtrans-80.4-38.3175.2-64.1177000111.9W77 E81 R523W77-L527 HydrophobicContact CE3-CD2 4.06Å; W77-L527 HydrophobicContact CE3-CG 4.49Å; W77-L527 HydrophobicContact CZ3-CG 4.49Å; E81-L527 HydrophobicContact CB-CD2 4.06Å; R523-L527 HydrophobicContact CG-CD1 3.68Å; R523-L527 HydrophobicContact CG-CG 4.22Å; R523-L527 WeakPolarHBondContact O-CB 3.46Å; R523-L527 WeakPolarHBondContact O-CG 3.42Å; R523-L527 PolarHBondContact O-N 2.87Å
528D86.5Confident75Confident62 Ų6270 Ų7033%0.33238%0.383SS..  trans-132.193177.1-166.3-24.9000111.5K524 R525 S530 V531K524-D528 CarbonylContact O-C 3.55Å; K524-D528 WeakPolarHBondContact O-CA 3.26Å; K524-D528 PolarHBondContact O-N 2.95Å; R525-D528 CarbonylContact O-C 3.57Å; D528-S530 PolarHBondContact O-N 2.9Å; D528-S530 WeakPolarHBondContact OD1-CB 3.45Å; D528-S530 PolarHBondContact OD1-N 2.81Å; D528-S530 PolarHBondContact OD1-OG 3.1Å; D528-V531 HydrophobicContact CB-CB 4.2Å; D528-V531 HydrophobicContact CB-CG2 4.28Å; D528-V531 PolarHBondContact OD1-N 3.01Å; D528-V531 VanDerWaalsContact OD1-N 3.15Å; D528-V531 WeakPolarHBondContact OD2-CG2 3.44Å
529P85.3Confident72.7Confident97 Ų9771.6 Ų71.663%0.6340%0.398SS*.SBendtrans-61.6-26.8178.3-24.434.4000113.5R525R525-P529 PolarHBondContact NH1-O 3.1Å; R525-P529 WeakPolarHBondContact O-CA 3.3Å
530S81.9Confident70.5Confident99 Ų9979.8 Ų79.869%0.69244%0.442SS*.SBendtrans-82.8-29.8-172.374.10000113D528D528-S530 PolarHBondContact O-N 2.9Å; D528-S530 WeakPolarHBondContact OD1-CB 3.45Å; D528-S530 PolarHBondContact OD1-N 2.81Å; D528-S530 PolarHBondContact OD1-OG 3.1Å
531V79.1Confident68.6Low68 Ų6881.8 Ų81.841%0.41246%0.455SS..SBendtrans-73.5126.8-175.7164.20000111.5R525 D528R525-V531 PolarHBondContact NE-O 3.04Å; R525-V531 PolarHBondContact NH1-O 3.29Å; D528-V531 HydrophobicContact CB-CB 4.2Å; D528-V531 HydrophobicContact CB-CG2 4.28Å; D528-V531 PolarHBondContact OD1-N 3.01Å; D528-V531 VanDerWaalsContact OD1-N 3.15Å; D528-V531 WeakPolarHBondContact OD2-CG2 3.44Å
532P75.4Confident66.7Low94 Ų9485.6 Ų85.661%0.6148%0.482SS*.PPolyproline II helixtrans-59.5146.2174.626.3-33.8000110.3
533L71.9Confident64.9Low72 Ų7284.7 Ų84.738%0.37748%0.477SS..PPolyproline II helixtrans-57.4136.6175.1-71.1173.4000109.3C521 R525 I535C521-L533 HydrophobicContact CB-CD2 3.75Å; R525-L533 HydrophobicContact CG-CD2 3.52Å; R525-L533 HydrophobicContact CG-CG 4.16Å; L533-I535 PolarHBondContact O-N 2.86Å
534P56.6Low63.2Low44 Ų4484.6 Ų84.629%0.28648%0.481SS..  trans-57.8114.1179.621.3-31.7000109.2R517 K524R517-P534 PolarHBondContact NH2-O 3.22Å; K524-P534 HydrophobicContact CD-CG 3.89Å
535I55.6Low61.5Low102 Ų10286.8 Ų86.852%0.52349%0.487SS..  trans-70.3135.3175.2-55.6172.3000106.6L533 K537L533-I535 PolarHBondContact O-N 2.86Å; I535-K537 HydrophobicContact CG2-CB 4.25Å; I535-K537 HydrophobicContact CG2-CG 4.38Å; I535-K537 PolarHBondContact O-N 2.76Å
536S47.2Very low60Low42 Ų4283.7 Ų83.729%0.29448%0.478SS..THydrogen-bonded Turntrans-58.218.9-179.1-179.10000116V544 W545S536-V544 WeakPolarHBondContact O-CB 3.36Å; S536-V544 WeakPolarHBondContact O-CG2 3.15Å; S536-W545 WeakPolarHBondContact OG-CB 3.14Å
537K47.8Very low58.2Low120 Ų12083.1 Ų83.152%0.52247%0.467SS..THydrogen-bonded Turntrans-135.412.3-161.7-66.7-163.6171.9-161.30116.3I535 S539 L598I535-K537 HydrophobicContact CG2-CB 4.25Å; I535-K537 HydrophobicContact CG2-CG 4.38Å; I535-K537 PolarHBondContact O-N 2.76Å; K537-S539 VanDerWaalsContact C-N 3.31Å; K537-S539 PolarHBondContact O-N 2.74Å; K537-L598 VanDerWaalsContact NZ-CD1 3.28Å
538Q36.3Very low56.5Low192 Ų19282.7 Ų82.790%0.89747%0.469SS*.SBendtrans-88.417.6-178.6-81.2-170.7-13.800115.8
539S36.1Very low54.9Low64 Ų6488 Ų8845%0.44849%0.491SS..SBendtrans-143.4143158.356.30000108.5K537 S541 V544K537-S539 VanDerWaalsContact C-N 3.31Å; K537-S539 PolarHBondContact O-N 2.74Å; S539-S541 PolarHBondContact O-N 2.81Å; S539-S541 PolarHBondContact OG-OG 2.79Å; S539-V544 WeakPolarHBondContact OG-CG2 3.16Å
540D38.2Very low53.4Low186 Ų18685 Ų85100%0.99547%0.47SS*.SBendtrans-59.49.8-175.7-72.3-44.4000115.7
541S40.7Very low52.4Low59 Ų5980.6 Ų80.641%0.41344%0.438SS..SBendtrans-90123.3168.6590000109.6S539 D543 V544S539-S541 PolarHBondContact O-N 2.81Å; S539-S541 PolarHBondContact OG-OG 2.79Å; S541-D543 PolarHBondContact O-N 2.82Å; S541-V544 WeakPolarHBondContact O-CG2 3.33Å
542S44.3Very low51.2Low101 Ų10178 Ų7871%0.70642%0.423SS*.THydrogen-bonded Turntrans-52.1-5.4176.339.20000116.3
543D49.8Very low50.4Low44 Ų4474 Ų7424%0.23540%0.398CS..THydrogen-bonded Turntrans-128.230.6-161.7-60.3-59.1000113.2S541 W545 L546 S547S541-D543 PolarHBondContact O-N 2.82Å; D543-W545 PolarHBondContact O-N 3.29Å; D543-W545 VanDerWaalsContact O-N 3.17Å; D543-L546 HydrophobicContact CB-CB 4.24Å; D543-L546 HydrophobicContact CB-CD1 4.38Å; D543-L546 CarbonylContact O-C 3.56Å; D543-L546 WeakPolarHBondContact O-CA 3.43Å; D543-L546 PolarHBondContact O-N 3.03Å; D543-S547 PolarHBondContact O-N 3.05Å
544V49.6Very low49.9Very low37 Ų3772 Ų7222%0.22439%0.388CS..G310 helixtrans-59.3-28174.7-171.10000111.8S536 S539 S541 L546 S547S536-V544 WeakPolarHBondContact O-CB 3.36Å; S536-V544 WeakPolarHBondContact O-CG2 3.15Å; S539-V544 WeakPolarHBondContact OG-CG2 3.16Å; S541-V544 WeakPolarHBondContact O-CG2 3.33Å; V544-L546 PolarHBondContact O-N 3.03Å; V544-S547 VanDerWaalsContact O-CB 3.32Å; V544-S547 WeakPolarHBondContact O-CB 3.17Å; V544-S547 PolarHBondContact O-N 2.81Å; V544-S547 PolarHBondContact O-OG 2.98Å
545W50Low50Low134 Ų13472.6 Ų72.651%0.50839%0.387SS..G310 helixtrans-78.30.1172.574.9-66.8000114.1S536 D543 F551S536-W545 WeakPolarHBondContact OG-CB 3.14Å; D543-W545 PolarHBondContact O-N 3.29Å; D543-W545 VanDerWaalsContact O-N 3.17Å; W545-F551 VanDerWaalsContact C-CE2 3.45Å; W545-F551 WeakPolarHBondContact O-CE2 3.19Å; W545-F551 VanDerWaalsContact O-CZ 3.22Å; W545-F551 WeakPolarHBondContact O-CZ 3.31Å
546L52.6Low50.2Low36 Ų3672 Ų7219%0.18838%0.382CS..G310 helixtrans-11817167.5-64.9170.5000110D543 V544 F551 L554 I558D543-L546 HydrophobicContact CB-CB 4.24Å; D543-L546 HydrophobicContact CB-CD1 4.38Å; D543-L546 CarbonylContact O-C 3.56Å; D543-L546 WeakPolarHBondContact O-CA 3.43Å; D543-L546 PolarHBondContact O-N 3.03Å; V544-L546 PolarHBondContact O-N 3.03Å; L546-F551 VanDerWaalsContact CA-CD2 3.43Å; L546-L554 HydrophobicContact CB-CD2 4.4Å; L546-L554 HydrophobicContact CD2-CD2 3.69Å; L546-I558 HydrophobicContact CB-CD1 3.94Å; L546-I558 WeakPolarHBondContact O-CD1 3.36Å
547S51.2Low50.9Low25 Ų2571.7 Ų71.718%0.17538%0.376CS..  trans-53.1132.8-179.561.20000110.3D543 V544 E549 M550 F551D543-S547 PolarHBondContact O-N 3.05Å; V544-S547 VanDerWaalsContact O-CB 3.32Å; V544-S547 WeakPolarHBondContact O-CB 3.17Å; V544-S547 PolarHBondContact O-N 2.81Å; V544-S547 PolarHBondContact O-OG 2.98Å; S547-E549 PolarHBondContact O-N 3.05Å; S547-M550 PolarHBondContact O-N 3.23Å; S547-F551 PolarHBondContact O-N 3.1Å
548P50Low51.6Low58 Ų5867 Ų6738%0.37736%0.357SS..G310 helixtrans-35.9-48.7169.1-39.140.9000113.8M550 F551 E555P548-M550 PolarHBondContact O-N 3.33Å; P548-F551 CarbonylContact O-C 3.52Å; P548-F551 PolarHBondContact O-N 3.17Å; P548-E555 VanDerWaalsContact C-OE1 3.24Å; P548-E555 VanDerWaalsContact CA-OE1 3.29Å; P548-E555 WeakPolarHBondContact CA-OE1 3.47Å; P548-E555 HydrophobicContact CB-CG 3.38Å; P548-E555 HydrophobicContact CG-CG 3.8Å
549E53.6Low52.8Low173 Ų17361.4 Ų61.481%0.80834%0.336SS*.G310 helixtrans-56.3-20.5-180-58.7-175.8174.700115.1S547S547-E549 PolarHBondContact O-N 3.05Å
550M53.7Low53.9Low36 Ų3661.1 Ų61.118%0.17733%0.327CS..G310 helixtrans-111.7-16178.2-65-156.2-37.500114.3R517 S547 P548 P552R517-M550 PolarHBondContact NH1-SD 2.8Å; S547-M550 PolarHBondContact O-N 3.23Å; P548-M550 PolarHBondContact O-N 3.33Å; M550-P552 VanDerWaalsContact C-CD 3.5Å
551F60.3Low55Low5 Ų556.9 Ų56.92%0.02230%0.304CS..SBendtrans-130.572.8-178.6-56.6-67.6000112.8P513 Q516 R517 W545 L546 S547 P548 G553 L554P513-F551 HydrophobicContact CB-CD1 3.19Å; P513-F551 HydrophobicContact CB-CE1 3.08Å; P513-F551 HydrophobicContact CB-CG 4.15Å; P513-F551 HydrophobicContact CB-CZ 3.95Å; P513-F551 WeakPolarHBondContact O-CE1 3.06Å; Q516-F551 HydrophobicContact CB-CE1 4.46Å; R517-F551 HydrophobicContact CB-CZ 4.28Å; W545-F551 VanDerWaalsContact C-CE2 3.45Å; W545-F551 WeakPolarHBondContact O-CE2 3.19Å; W545-F551 VanDerWaalsContact O-CZ 3.22Å; W545-F551 WeakPolarHBondContact O-CZ 3.31Å; L546-F551 VanDerWaalsContact CA-CD2 3.43Å; S547-F551 PolarHBondContact O-N 3.1Å; P548-F551 CarbonylContact O-C 3.52Å; P548-F551 PolarHBondContact O-N 3.17Å; F551-G553 PolarHBondContact O-N 2.97Å; F551-L554 HydrophobicContact CB-CB 3.73Å; F551-L554 HydrophobicContact CB-CD2 4.15Å; F551-L554 WeakPolarHBondContact O-CB 3.42Å; F551-L554 PolarHBondContact O-N 3.35Å
552P54.5Low55.8Low15 Ų1556.8 Ų56.810%0.09730%0.299CS..THydrogen-bonded Turntrans-69.2130.3-176.8-21.539.4000110.7L28 V212 M550 E555L28-P552 HydrophobicContact CD1-CG 4.11Å; V212-P552 HydrophobicContact CB-CB 3.27Å; V212-P552 HydrophobicContact CB-CG 4.02Å; V212-P552 HydrophobicContact CG1-CB 3.11Å; V212-P552 HydrophobicContact CG1-CG 3.28Å; V212-P552 HydrophobicContact CG2-CB 4.06Å; M550-P552 VanDerWaalsContact C-CD 3.5Å; P552-E555 WeakPolarHBondContact CA-OE1 3.36Å; P552-E555 WeakPolarHBondContact CA-OE2 3.42Å
553G57.6Low56.2Low9 Ų955.9 Ų55.99%0.09329%0.289CS..THydrogen-bonded Turntrans93.4-11.4-16800000114.5T213 L505 I510 F551 E555T213-G553 WeakPolarHBondContact OG1-CA 3.42Å; T213-G553 PolarHBondContact OG1-N 2.92Å; L505-G553 VanDerWaalsContact CD1-O 3.3Å; L505-G553 WeakPolarHBondContact CD1-O 3.27Å; I510-G553 WeakPolarHBondContact CD1-O 3.3Å; F551-G553 PolarHBondContact O-N 2.97Å; G553-E555 WeakPolarHBondContact CA-OE2 3.37Å; G553-E555 PolarHBondContact N-OE2 3.11Å
554L63.2Low56.3Low31 Ų3161.2 Ų61.216%0.16232%0.317CS..  trans-87.8-16.1172-149.680.3000111.3I510 L546 F551 E556 I557 I558I510-L554 HydrophobicContact CD1-CD1 4.38Å; I510-L554 HydrophobicContact CG2-CD1 4.42Å; L546-L554 HydrophobicContact CB-CD2 4.4Å; L546-L554 HydrophobicContact CD2-CD2 3.69Å; F551-L554 HydrophobicContact CB-CB 3.73Å; F551-L554 HydrophobicContact CB-CD2 4.15Å; F551-L554 WeakPolarHBondContact O-CB 3.42Å; F551-L554 PolarHBondContact O-N 3.35Å; L554-E556 VanDerWaalsContact C-N 3.29Å; L554-E556 PolarHBondContact O-N 2.79Å; L554-I557 HydrophobicContact CD1-CD1 3.71Å; L554-I557 HydrophobicContact CG-CD1 4.33Å; L554-I557 WeakPolarHBondContact O-CB 3.47Å; L554-I557 PolarHBondContact O-N 3.35Å; L554-I557 VanDerWaalsContact O-N 3.07Å; L554-I558 HydrophobicContact CB-CD1 4.07Å; L554-I558 HydrophobicContact CB-CG1 4.47Å; L554-I558 HydrophobicContact CD2-CD1 3.52Å; L554-I558 HydrophobicContact CD2-CG1 3.88Å; L554-I558 HydrophobicContact CG-CD1 3.92Å; L554-I558 HydrophobicContact CG-CG1 4Å; L554-I558 VanDerWaalsContact O-CG1 3.29Å; L554-I558 WeakPolarHBondContact O-CG1 3.34Å; L554-I558 PolarHBondContact O-N 2.89Å
555E58.4Low56.5Low56 Ų5663.3 Ų63.326%0.26233%0.334SS..Hα-helixtrans-55-43-177.5-68.486.7174.600112.6P548 P552 G553 I557 I558 T559P548-E555 VanDerWaalsContact C-OE1 3.24Å; P548-E555 VanDerWaalsContact CA-OE1 3.29Å; P548-E555 WeakPolarHBondContact CA-OE1 3.47Å; P548-E555 HydrophobicContact CB-CG 3.38Å; P548-E555 HydrophobicContact CG-CG 3.8Å; P552-E555 WeakPolarHBondContact CA-OE1 3.36Å; P552-E555 WeakPolarHBondContact CA-OE2 3.42Å; G553-E555 WeakPolarHBondContact CA-OE2 3.37Å; G553-E555 PolarHBondContact N-OE2 3.11Å; E555-I557 VanDerWaalsContact C-N 3.31Å; E555-I557 PolarHBondContact O-N 2.87Å; E555-I558 PolarHBondContact O-N 3.43Å; E555-T559 VanDerWaalsContact O-CB 3.25Å; E555-T559 WeakPolarHBondContact O-CB 3.46Å; E555-T559 WeakPolarHBondContact O-CG2 3.37Å; E555-T559 PolarHBondContact O-N 3.03Å; E555-T559 PolarHBondContact O-OG1 3.5Å
556E59.7Low56.7Low89 Ų8958.3 Ų58.342%0.41632%0.316SS..Hα-helixtrans-65.6-37.1-179.7-67.5-179171.900111.7I504 L505 L554 T559 Q560I504-E556 HydrophobicContact CG2-CB 4.25Å; I504-E556 WeakPolarHBondContact CG2-OE2 3.3Å; L505-E556 HydrophobicContact CD1-CB 4.44Å; L554-E556 VanDerWaalsContact C-N 3.29Å; L554-E556 PolarHBondContact O-N 2.79Å; E556-T559 WeakPolarHBondContact CA-OG1 3.43Å; E556-T559 PolarHBondContact O-OG1 3.4Å; E556-T559 VanDerWaalsContact O-OG1 3.14Å; E556-Q560 WeakPolarHBondContact O-CB 3.39Å; E556-Q560 VanDerWaalsContact O-CG 3.27Å; E556-Q560 WeakPolarHBondContact O-CG 3.5Å; E556-Q560 PolarHBondContact O-N 3.11Å; E556-Q560 VanDerWaalsContact O-N 3.09Å
557I62.1Low57.1Low35 Ų3559.3 Ų59.318%0.17932%0.324CS..Hα-helixtrans-68.4-49.1174.6-44.5-177.1000110L505 I510 L554 E555 T559 Q560 I561L505-I557 HydrophobicContact CD1-CD1 3.68Å; L505-I557 HydrophobicContact CD1-CG1 3.24Å; L505-I557 HydrophobicContact CD2-CD1 3.18Å; L505-I557 HydrophobicContact CD2-CG1 3.43Å; L505-I557 VanDerWaalsContact CD2-CG1 3.43Å; L505-I557 HydrophobicContact CG-CD1 3.98Å; L505-I557 HydrophobicContact CG-CG1 3.86Å; I510-I557 HydrophobicContact CD1-CD1 4.09Å; L554-I557 HydrophobicContact CD1-CD1 3.71Å; L554-I557 HydrophobicContact CG-CD1 4.33Å; L554-I557 WeakPolarHBondContact O-CB 3.47Å; L554-I557 PolarHBondContact O-N 3.35Å; L554-I557 VanDerWaalsContact O-N 3.07Å; E555-I557 VanDerWaalsContact C-N 3.31Å; E555-I557 PolarHBondContact O-N 2.87Å; I557-T559 VanDerWaalsContact C-N 3.3Å; I557-T559 PolarHBondContact O-N 3.3Å; I557-Q560 PolarHBondContact O-N 3.33Å; I557-I561 HydrophobicContact CG2-CD1 3.47Å; I557-I561 VanDerWaalsContact CG2-CD1 3.47Å; I557-I561 HydrophobicContact CG2-CG1 4.14Å; I557-I561 WeakPolarHBondContact O-CB 3.42Å; I557-I561 VanDerWaalsContact O-CG1 3.24Å; I557-I561 WeakPolarHBondContact O-CG1 3.3Å; I557-I561 PolarHBondContact O-N 3.42Å
558I62.3Low57.8Low22 Ų2261.3 Ų61.311%0.11334%0.342CS..Hα-helixtrans-64.6-40.2-176.7-67.3172.3000109.6L546 L554 E555 Q560 I561 N562L546-I558 HydrophobicContact CB-CD1 3.94Å; L546-I558 WeakPolarHBondContact O-CD1 3.36Å; L554-I558 HydrophobicContact CB-CD1 4.07Å; L554-I558 HydrophobicContact CB-CG1 4.47Å; L554-I558 HydrophobicContact CD2-CD1 3.52Å; L554-I558 HydrophobicContact CD2-CG1 3.88Å; L554-I558 HydrophobicContact CG-CD1 3.92Å; L554-I558 HydrophobicContact CG-CG1 4Å; L554-I558 VanDerWaalsContact O-CG1 3.29Å; L554-I558 WeakPolarHBondContact O-CG1 3.34Å; L554-I558 PolarHBondContact O-N 2.89Å; E555-I558 PolarHBondContact O-N 3.43Å; I558-Q560 VanDerWaalsContact C-N 3.33Å; I558-Q560 PolarHBondContact O-N 3.24Å; I558-I561 PolarHBondContact O-N 3.27Å; I558-N562 HydrophobicContact CG2-CB 4.31Å; I558-N562 WeakPolarHBondContact CG2-ND2 3.23Å; I558-N562 WeakPolarHBondContact O-CA 3.38Å; I558-N562 WeakPolarHBondContact O-CB 3.5Å; I558-N562 PolarHBondContact O-N 2.87Å
559T61.4Low58.8Low74 Ų7461.9 Ų61.945%0.45435%0.347SS..Hα-helixtrans-69.7-30.4177.850.40000112.3E555 E556 I557E555-T559 VanDerWaalsContact O-CB 3.25Å; E555-T559 WeakPolarHBondContact O-CB 3.46Å; E555-T559 WeakPolarHBondContact O-CG2 3.37Å; E555-T559 PolarHBondContact O-N 3.03Å; E555-T559 PolarHBondContact O-OG1 3.5Å; E556-T559 WeakPolarHBondContact CA-OG1 3.43Å; E556-T559 PolarHBondContact O-OG1 3.4Å; E556-T559 VanDerWaalsContact O-OG1 3.14Å; I557-T559 VanDerWaalsContact C-N 3.3Å; I557-T559 PolarHBondContact O-N 3.3Å
560Q58.6Low59.5Low58 Ų5854.2 Ų54.227%0.27131%0.312SS..Hα-helixtrans-75.6-32.5171.3-75.9-176.6-5.100113.4E556 I557 I558E556-Q560 WeakPolarHBondContact O-CB 3.39Å; E556-Q560 VanDerWaalsContact O-CG 3.27Å; E556-Q560 WeakPolarHBondContact O-CG 3.5Å; E556-Q560 PolarHBondContact O-N 3.11Å; E556-Q560 VanDerWaalsContact O-N 3.09Å; I557-Q560 PolarHBondContact O-N 3.33Å; I558-Q560 VanDerWaalsContact C-N 3.33Å; I558-Q560 PolarHBondContact O-N 3.24Å
561I62.3Low60.3Low97 Ų9755.8 Ų55.850%0.49732%0.32SS..Hα-helixtrans-89.9-36-177.1-66.4-179.1000112.4I557 I558I557-I561 HydrophobicContact CG2-CD1 3.47Å; I557-I561 VanDerWaalsContact CG2-CD1 3.47Å; I557-I561 HydrophobicContact CG2-CG1 4.14Å; I557-I561 WeakPolarHBondContact O-CB 3.42Å; I557-I561 VanDerWaalsContact O-CG1 3.24Å; I557-I561 WeakPolarHBondContact O-CG1 3.3Å; I557-I561 PolarHBondContact O-N 3.42Å; I558-I561 PolarHBondContact O-N 3.27Å
562N56.9Low61.1Low58 Ų5861.6 Ų61.631%0.3135%0.347SS..SBendtrans-80.7125.1-178.4-76.9-6.1000109.8I558 D564I558-N562 HydrophobicContact CG2-CB 4.31Å; I558-N562 WeakPolarHBondContact CG2-ND2 3.23Å; I558-N562 WeakPolarHBondContact O-CA 3.38Å; I558-N562 WeakPolarHBondContact O-CB 3.5Å; I558-N562 PolarHBondContact O-N 2.87Å; N562-D564 PolarHBondContact O-N 2.85Å
563T52.4Low62.2Low82 Ų8261 Ų6150%0.50334%0.343SS..G310 helixtrans-50.9-10.3-171.444.20000117
564D52.7Low63.2Low155 Ų15565.1 Ų65.183%0.82936%0.356SS*.G310 helixtrans-88.4-10.6-168.2-61.9-11.1000113N562N562-D564 PolarHBondContact O-N 2.85Å
565S52.8Low64Low81 Ų8167.5 Ų67.557%0.56637%0.369SS*.G310 helixtrans-137.934.1174.2-173.40000112.3T567S565-T567 PolarHBondContact O-N 3.19Å
566E54Low65Low29 Ų2968.5 Ų68.514%0.13638%0.375CS..  trans-62.5128.6171.3-68.2-177.5-179.200109.2L570 I571 R574E566-L570 HydrophobicContact CB-CD2 4.26Å; E566-L570 HydrophobicContact CG-CD2 3.94Å; E566-I571 HydrophobicContact CB-CD1 3.9Å; E566-I571 HydrophobicContact CB-CG1 3.34Å; E566-I571 HydrophobicContact CG-CG1 4.36Å; E566-I571 VanDerWaalsContact OE2-CG1 3.3Å; E566-I571 WeakPolarHBondContact OE2-CG1 3.31Å; E566-R574 IonicContact OE1-CZ 3.99Å; E566-R574 IonicContact OE1-NH1 3.86Å; E566-R574 PolarHBondContact OE1-NH1 2.77Å
567T62.4Low65.9Low58 Ų5865 Ų6536%0.35636%0.36SS..  trans-60147.2171.351.60000109.1S565 S569 L570 I571S565-T567 PolarHBondContact O-N 3.19Å; T567-S569 PolarHBondContact O-N 3.4Å; T567-S569 PolarHBondContact OG1-OG 2.99Å; T567-L570 PolarHBondContact O-N 3.07Å; T567-L570 WeakPolarHBondContact OG1-CB 3.39Å; T567-I571 PolarHBondContact O-N 3.48Å
568A66.1Low66.8Low67 Ų6768 Ų6855%0.55438%0.375SS*.Hα-helixtrans-53.7-33.6-177.600000112.7E572A568-E572 VanDerWaalsContact O-CB 3.31Å; A568-E572 WeakPolarHBondContact O-CB 3.42Å; A568-E572 PolarHBondContact O-N 3.47Å
569S70.2Confident67.7Low70 Ų7073.4 Ų73.449%0.4941%0.405SS..Hα-helixtrans-67.8-36.5175.556.60000113.7T567 E572 S573T567-S569 PolarHBondContact O-N 3.4Å; T567-S569 PolarHBondContact OG1-OG 2.99Å; S569-E572 PolarHBondContact O-N 3.21Å; S569-S573 WeakPolarHBondContact O-CB 3.45Å; S569-S573 PolarHBondContact O-N 3.49Å; S569-S573 PolarHBondContact O-OG 3.29Å
570L68.2Low68.5Low11 Ų1170.7 Ų70.76%0.05839%0.388CS..Hα-helixtrans-73.3-42.7178.2-166.7163.7000110.8M468 E566 T567 E572 S573 R574M468-L570 HydrophobicContact CG-CD1 4.25Å; M468-L570 HydrophobicContact SD-CD1 3.69Å; M468-L570 HydrophobicContact SD-CG 4.4Å; E566-L570 HydrophobicContact CB-CD2 4.26Å; E566-L570 HydrophobicContact CG-CD2 3.94Å; T567-L570 PolarHBondContact O-N 3.07Å; T567-L570 WeakPolarHBondContact OG1-CB 3.39Å; L570-E572 PolarHBondContact O-N 3.43Å; L570-S573 WeakPolarHBondContact CA-OG 3.3Å; L570-S573 PolarHBondContact O-N 3.01Å; L570-S573 PolarHBondContact O-OG 2.94Å; L570-R574 WeakPolarHBondContact O-CB 3.49Å; L570-R574 PolarHBondContact O-N 3.03Å
571I71Confident69.1Low70 Ų7072.1 Ų72.136%0.35939%0.394SS..Hα-helixtrans-56.9-45172.4-61.1173.9000109.7E566 T567 N575E566-I571 HydrophobicContact CB-CD1 3.9Å; E566-I571 HydrophobicContact CB-CG1 3.34Å; E566-I571 HydrophobicContact CG-CG1 4.36Å; E566-I571 VanDerWaalsContact OE2-CG1 3.3Å; E566-I571 WeakPolarHBondContact OE2-CG1 3.31Å; T567-I571 PolarHBondContact O-N 3.48Å; I571-N575 WeakPolarHBondContact CG2-ND2 3.38Å; I571-N575 VanDerWaalsContact O-CB 3.28Å; I571-N575 WeakPolarHBondContact O-CB 3.4Å; I571-N575 PolarHBondContact O-N 2.84Å; I571-N575 PolarHBondContact O-ND2 3.2Å
572E77.5Confident69.6Low126 Ų12672 Ų7259%0.58940%0.399SS*.Hα-helixtrans-64.5-51179.1-174.9170.7-165.100111.9A568 S569 L570 R574 N575 I576A568-E572 VanDerWaalsContact O-CB 3.31Å; A568-E572 WeakPolarHBondContact O-CB 3.42Å; A568-E572 PolarHBondContact O-N 3.47Å; S569-E572 PolarHBondContact O-N 3.21Å; L570-E572 PolarHBondContact O-N 3.43Å; E572-R574 VanDerWaalsContact C-N 3.33Å; E572-R574 PolarHBondContact O-N 3.38Å; E572-N575 PolarHBondContact O-N 3.43Å; E572-I576 HydrophobicContact CG-CD1 3.86Å; E572-I576 VanDerWaalsContact O-CG1 3.24Å; E572-I576 WeakPolarHBondContact O-CG1 3.29Å; E572-I576 PolarHBondContact O-N 2.97Å
573S76Confident70.2Confident2 Ų275 Ų751%0.01442%0.422CS..Hα-helixtrans-60.9-41.3179.269.90000111.8S463 S467 S569 L570 I576 L577S463-S573 WeakPolarHBondContact OG-CB 3.27Å; S467-S573 PolarHBondContact OG-OG 3.35Å; S569-S573 WeakPolarHBondContact O-CB 3.45Å; S569-S573 PolarHBondContact O-N 3.49Å; S569-S573 PolarHBondContact O-OG 3.29Å; L570-S573 WeakPolarHBondContact CA-OG 3.3Å; L570-S573 PolarHBondContact O-N 3.01Å; L570-S573 PolarHBondContact O-OG 2.94Å; S573-I576 PolarHBondContact O-N 2.95Å; S573-L577 WeakPolarHBondContact O-CB 2.89Å; S573-L577 PolarHBondContact O-N 3.35Å
574R78.7Confident70.9Confident97 Ų9778.9 Ų78.937%0.36644%0.439SS..Hα-helixtrans-62.6-45.7174.9-176.4-179.7-173.9172.83.8111.9F464 E566 L570 E572 L577 L578F464-R574 HydrophobicContact CD2-CB 4.41Å; F464-R574 HydrophobicContact CE2-CB 4.37Å; E566-R574 IonicContact OE1-CZ 3.99Å; E566-R574 IonicContact OE1-NH1 3.86Å; E566-R574 PolarHBondContact OE1-NH1 2.77Å; L570-R574 WeakPolarHBondContact O-CB 3.49Å; L570-R574 PolarHBondContact O-N 3.03Å; E572-R574 VanDerWaalsContact C-N 3.33Å; E572-R574 PolarHBondContact O-N 3.38Å; R574-L577 PolarHBondContact O-N 3.48Å; R574-L578 HydrophobicContact CG-CD1 4.11Å; R574-L578 HydrophobicContact CG-CG 4.49Å; R574-L578 WeakPolarHBondContact O-CB 3.28Å; R574-L578 WeakPolarHBondContact O-CG 3.25Å; R574-L578 PolarHBondContact O-N 3.3Å
575N79.7Confident71.3Confident80 Ų8082.4 Ų82.443%0.42844%0.441SS..Hα-helixtrans-65.5-41.1178.7-77-35.3000111.7I571 E572 L577 L578 N579I571-N575 WeakPolarHBondContact CG2-ND2 3.38Å; I571-N575 VanDerWaalsContact O-CB 3.28Å; I571-N575 WeakPolarHBondContact O-CB 3.4Å; I571-N575 PolarHBondContact O-N 2.84Å; I571-N575 PolarHBondContact O-ND2 3.2Å; E572-N575 PolarHBondContact O-N 3.43Å; N575-L577 VanDerWaalsContact C-N 3.32Å; N575-L577 PolarHBondContact O-N 3.42Å; N575-L578 PolarHBondContact O-N 3.07Å; N575-N579 VanDerWaalsContact O-CB 3.31Å; N575-N579 WeakPolarHBondContact O-CB 3.35Å; N575-N579 PolarHBondContact O-N 2.89Å; N575-N579 PolarHBondContact O-ND2 3.5Å
576I79.6Confident71.5Confident77 Ų7783.8 Ų83.840%0.39545%0.448SS..Hα-helixtrans-59.5-46.3173.7-67.3165.8000109.8A460 E572 S573 N579 S580A460-I576 HydrophobicContact CB-CG2 3.83Å; E572-I576 HydrophobicContact CG-CD1 3.86Å; E572-I576 VanDerWaalsContact O-CG1 3.24Å; E572-I576 WeakPolarHBondContact O-CG1 3.29Å; E572-I576 PolarHBondContact O-N 2.97Å; S573-I576 PolarHBondContact O-N 2.95Å; I576-N579 PolarHBondContact O-N 2.99Å; I576-S580 PolarHBondContact O-N 2.89Å; I576-S580 VanDerWaalsContact O-N 3.09Å
577L80.1Confident71.6Confident16 Ų1687.8 Ų87.88%0.08449%0.485CS..Hα-helixtrans-61.4-49.6178.2-176.864.7000112.2A460 M461 F464 S573 R574 N575 N579 S580 F581A460-L577 HydrophobicContact CB-CB 4.32Å; A460-L577 HydrophobicContact CB-CD1 3.96Å; M461-L577 HydrophobicContact CB-CD1 4.3Å; M461-L577 HydrophobicContact CE-CD1 4.05Å; M461-L577 HydrophobicContact CE-CD2 4.24Å; M461-L577 HydrophobicContact SD-CD2 4.39Å; F464-L577 HydrophobicContact CB-CD2 3.96Å; F464-L577 HydrophobicContact CD1-CD2 3.85Å; F464-L577 HydrophobicContact CD2-CD2 4.4Å; F464-L577 HydrophobicContact CE1-CD2 4.48Å; F464-L577 HydrophobicContact CG-CD2 3.8Å; S573-L577 WeakPolarHBondContact O-CB 2.89Å; S573-L577 PolarHBondContact O-N 3.35Å; R574-L577 PolarHBondContact O-N 3.48Å; N575-L577 VanDerWaalsContact C-N 3.32Å; N575-L577 PolarHBondContact O-N 3.42Å; L577-N579 VanDerWaalsContact C-N 3.3Å; L577-N579 PolarHBondContact O-N 3.35Å; L577-S580 WeakPolarHBondContact O-CB 3.38Å; L577-S580 PolarHBondContact O-N 3.46Å; L577-S580 VanDerWaalsContact O-N 3.11Å; L577-S580 PolarHBondContact O-OG 2.92Å; L577-F581 HydrophobicContact CD1-CD2 4.38Å; L577-F581 HydrophobicContact CD1-CE2 3.49Å; L577-F581 VanDerWaalsContact CD1-CE2 3.49Å; L577-F581 HydrophobicContact CD1-CZ 4.01Å; L577-F581 HydrophobicContact CD2-CE2 4.46Å; L577-F581 HydrophobicContact CG-CD2 4.35Å; L577-F581 HydrophobicContact CG-CE2 3.71Å; L577-F581 WeakPolarHBondContact O-CD2 3.47Å
578L81Confident71.3Confident98 Ų9889.3 Ų89.351%0.51350%0.498SS..Hα-helixtrans-61.3-38.7178.9-72.7173.4000112.3R574 N575 S580 F581R574-L578 HydrophobicContact CG-CD1 4.11Å; R574-L578 HydrophobicContact CG-CG 4.49Å; R574-L578 WeakPolarHBondContact O-CB 3.28Å; R574-L578 WeakPolarHBondContact O-CG 3.25Å; R574-L578 PolarHBondContact O-N 3.3Å; N575-L578 PolarHBondContact O-N 3.07Å; L578-S580 VanDerWaalsContact C-N 3.27Å; L578-S580 PolarHBondContact O-N 3.34Å; L578-F581 PolarHBondContact O-N 2.74Å
579N81.1Confident70.4Confident136 Ų13693.1 Ų93.173%0.72751%0.509SS*.Hα-helixtrans-69.5-24.9177.4-71.5-28.2000112.9N575 I576 L577 F581N575-N579 VanDerWaalsContact O-CB 3.31Å; N575-N579 WeakPolarHBondContact O-CB 3.35Å; N575-N579 PolarHBondContact O-N 2.89Å; N575-N579 PolarHBondContact O-ND2 3.5Å; I576-N579 PolarHBondContact O-N 2.99Å; L577-N579 VanDerWaalsContact C-N 3.3Å; L577-N579 PolarHBondContact O-N 3.35Å; N579-F581 VanDerWaalsContact C-N 3.28Å; N579-F581 PolarHBondContact O-N 3.1Å
580S77.1Confident69.3Low16 Ų1694.3 Ų94.311%0.11252%0.516CS..Hα-helixtrans-76-13.7176.8800000113.7Q457 I576 L577 L578Q457-S580 WeakPolarHBondContact CG-O 3.27Å; Q457-S580 PolarHBondContact NE2-O 2.99Å; I576-S580 PolarHBondContact O-N 2.89Å; I576-S580 VanDerWaalsContact O-N 3.09Å; L577-S580 WeakPolarHBondContact O-CB 3.38Å; L577-S580 PolarHBondContact O-N 3.46Å; L577-S580 VanDerWaalsContact O-N 3.11Å; L577-S580 PolarHBondContact O-OG 2.92Å; L578-S580 VanDerWaalsContact C-N 3.27Å; L578-S580 PolarHBondContact O-N 3.34Å
581F72.3Confident68.5Low89 Ų8998.2 Ų98.239%0.3954%0.54SS..SBendtrans-98.1146.3178.9-70.1-62.6000112.3Q457 M461 L577 L578 N579Q457-F581 HydrophobicContact CG-CE1 4.4Å; M461-F581 HydrophobicContact CE-CZ 4.45Å; L577-F581 HydrophobicContact CD1-CD2 4.38Å; L577-F581 HydrophobicContact CD1-CE2 3.49Å; L577-F581 VanDerWaalsContact CD1-CE2 3.49Å; L577-F581 HydrophobicContact CD1-CZ 4.01Å; L577-F581 HydrophobicContact CD2-CE2 4.46Å; L577-F581 HydrophobicContact CG-CD2 4.35Å; L577-F581 HydrophobicContact CG-CE2 3.71Å; L577-F581 WeakPolarHBondContact O-CD2 3.47Å; L578-F581 PolarHBondContact O-N 2.74Å; N579-F581 VanDerWaalsContact C-N 3.28Å; N579-F581 PolarHBondContact O-N 3.1Å
582P71.5Confident67.4Low94 Ų94100.6 Ų100.661%0.6155%0.553SS**PPolyproline II helixtrans-60.6142.6169.324.5-30.6000109.8L584P582-L584 PolarHBondContact O-N 3.41Å
583P70Confident66.3Low122 Ų12299.6 Ų99.679%0.79255%0.551SS**PPolyproline II helixtrans-57.1116.4-176.720.4-31.3000110.3R585P583-R585 PolarHBondContact O-N 3.49Å
584L66.5Low65.3Low163 Ų163102.3 Ų102.385%0.85357%0.568SS**PPolyproline II helixtrans-65.6119.8175.6-64.1174.9000108.1P582P582-L584 PolarHBondContact O-N 3.41Å
585R61.1Low64Low229 Ų229104.5 Ų104.586%0.86458%0.582SS**PPolyproline II helixtrans-87.6129.2167.2-68.2-174.7-176.2174.30.9107.8P583 A587P583-R585 PolarHBondContact O-N 3.49Å; R585-A587 PolarHBondContact O-N 2.85Å
586P56.5Low62.9Low110 Ų110107.2 Ų107.271%0.71459%0.593SS**PPolyproline II helixtrans-54.5128.4169.8-19.730.4000109S588P586-S588 WeakPolarHBondContact CB-O 3.35Å; P586-S588 PolarHBondContact O-N 3.23Å
587A57.9Low61.8Low112 Ų112106 Ų10693%0.92658%0.584SS**SBendtrans-73.2-4.6-178.500000113.3R585R585-A587 PolarHBondContact O-N 2.85Å
588S54.6Low61Low90 Ų90107 Ų10763%0.62959%0.59SS**SBendtrans-166.8157.8171.951.70000106.6P586P586-S588 WeakPolarHBondContact CB-O 3.35Å; P586-S588 PolarHBondContact O-N 3.23Å
589D47.7Very low60.3Low147 Ų147103.7 Ų103.779%0.78658%0.576SS**  trans-49.9137163.9-67.7-41.3000107.9V591D589-V591 PolarHBondContact O-N 3.48Å; D589-V591 VanDerWaalsContact O-N 3.14Å
590P48Very low59.7Low96 Ų9698.9 Ų98.962%0.62355%0.549SS*.  trans-51.2131.116824.8-31000105.5D592P590-D592 PolarHBondContact O-N 3.33Å
591V49.8Very low59Low92 Ų92104.9 Ų104.956%0.55857%0.569SS**  trans-54.6103.8170.5174.20000104.4D589 L593D589-V591 PolarHBondContact O-N 3.48Å; D589-V591 VanDerWaalsContact O-N 3.14Å; V591-L593 HydrophobicContact CG1-CD2 4.44Å; V591-L593 HydrophobicContact CG1-CG 4.43Å; V591-L593 PolarHBondContact O-N 2.79Å
592D48.2Very low58.7Low120 Ų120105.6 Ų105.664%0.64257%0.569SS**  trans-72.587.8-172.6-143.92.9000103.8P590 T594P590-D592 PolarHBondContact O-N 3.33Å; D592-T594 HydrophobicContact CB-CG2 4.08Å; D592-T594 PolarHBondContact O-N 2.82Å; D592-T594 PolarHBondContact O-OG1 3.22Å
593L54.7Low58.6Low105 Ų105109 Ų10955%0.5557%0.57SS.*  trans-68.150.7171.1-71.7169000108.3V591 F597 L598V591-L593 HydrophobicContact CG1-CD2 4.44Å; V591-L593 HydrophobicContact CG1-CG 4.43Å; V591-L593 PolarHBondContact O-N 2.79Å; L593-F597 HydrophobicContact CD2-CD1 4.31Å; L593-L598 HydrophobicContact CB-CD1 4.38Å; L593-L598 HydrophobicContact CD2-CD2 4.22Å; L593-L598 HydrophobicContact CD2-CG 4.5Å
594T55.1Low58.3Low59 Ų59104.6 Ų104.636%0.36254%0.54SS..  trans-50.5142.8173.6420000108.3D592 E596 F597 L598D592-T594 HydrophobicContact CB-CG2 4.08Å; D592-T594 PolarHBondContact O-N 2.82Å; D592-T594 PolarHBondContact O-OG1 3.22Å; T594-E596 PolarHBondContact O-N 2.64Å; T594-E596 VanDerWaalsContact O-N 3.09Å; T594-F597 WeakPolarHBondContact O-CA 3.48Å; T594-F597 WeakPolarHBondContact O-CB 3.37Å; T594-F597 PolarHBondContact O-N 2.93Å; T594-L598 PolarHBondContact O-N 3.32Å; T594-L598 VanDerWaalsContact O-N 3.1Å
595E51.9Low58Low144 Ų14499.8 Ų99.867%0.67352%0.517SS*.Hα-helixtrans-44.4-40.7174.7-108.9-95.3135.800111.4L598 A599E595-L598 PolarHBondContact O-N 3.2Å; E595-A599 WeakPolarHBondContact O-CB 3.46Å; E595-A599 PolarHBondContact O-N 3.42Å
596E56.4Low57.9Low137 Ų13793.2 Ų93.264%0.6450%0.499SS*.Hα-helixtrans-60.2-43.3173.6-98.8-174.5157.300113.5T594 K600T594-E596 PolarHBondContact O-N 2.64Å; T594-E596 VanDerWaalsContact O-N 3.09Å; E596-K600 WeakPolarHBondContact O-CB 3.4Å; E596-K600 PolarHBondContact O-N 3.33Å
597F57Low57.8Low51 Ų5192.8 Ų92.822%0.22449%0.487CS..Hα-helixtrans-67.3-43.9179.6-168.1-90.5000111.5L593 T594 K600 R601L593-F597 HydrophobicContact CD2-CD1 4.31Å; T594-F597 WeakPolarHBondContact O-CA 3.48Å; T594-F597 WeakPolarHBondContact O-CB 3.37Å; T594-F597 PolarHBondContact O-N 2.93Å; F597-K600 PolarHBondContact O-N 3.35Å; F597-R601 WeakPolarHBondContact O-CB 3.45Å; F597-R601 PolarHBondContact O-N 2.94Å
598L62.3Low57.4Low37 Ų3792.8 Ų92.819%0.19447%0.468CS..Hα-helixtrans-70.4-38.4176.6-73.4174.3000112.2K537 L593 T594 E595 R601 R602K537-L598 VanDerWaalsContact NZ-CD1 3.28Å; L593-L598 HydrophobicContact CB-CD1 4.38Å; L593-L598 HydrophobicContact CD2-CD2 4.22Å; L593-L598 HydrophobicContact CD2-CG 4.5Å; T594-L598 PolarHBondContact O-N 3.32Å; T594-L598 VanDerWaalsContact O-N 3.1Å; E595-L598 PolarHBondContact O-N 3.2Å; L598-R601 WeakPolarHBondContact O-CB 3.33Å; L598-R601 PolarHBondContact O-N 3.06Å; L598-R602 WeakPolarHBondContact O-CG 3.21Å; L598-R602 PolarHBondContact O-N 3.16Å
599A67Low57.2Low28 Ų2892 Ų9223%0.23146%0.463CS..Hα-helixtrans-65.5-39.6173.400000111.3E595 R601 R602 R603E595-A599 WeakPolarHBondContact O-CB 3.46Å; E595-A599 PolarHBondContact O-N 3.42Å; A599-R601 VanDerWaalsContact C-N 3.32Å; A599-R602 PolarHBondContact O-N 2.86Å; A599-R603 WeakPolarHBondContact O-CB 3.44Å; A599-R603 WeakPolarHBondContact O-CG 3.43Å; A599-R603 PolarHBondContact O-N 3.3Å
600K68.3Low57.1Low36 Ų3694.5 Ų94.516%0.15746%0.463CS..Hα-helixtrans-64-39172.6-171.2161.8-177.1161.90110.8E596 F597 L604 N646 E670 R673E596-K600 WeakPolarHBondContact O-CB 3.4Å; E596-K600 PolarHBondContact O-N 3.33Å; F597-K600 PolarHBondContact O-N 3.35Å; K600-L604 HydrophobicContact CG-CD1 4.2Å; K600-L604 VanDerWaalsContact O-CB 3.3Å; K600-L604 WeakPolarHBondContact O-CB 3.47Å; K600-L604 WeakPolarHBondContact O-CD1 3.46Å; K600-L604 VanDerWaalsContact O-CG 3.26Å; K600-L604 WeakPolarHBondContact O-CG 3.23Å; K600-L604 PolarHBondContact O-N 3.47Å; K600-N646 PolarHBondContact NZ-OD1 2.83Å; K600-E670 IonicContact NZ-OE1 2.81Å; K600-E670 PolarHBondContact NZ-OE1 3.06Å; K600-R673 VanDerWaalsContact NZ-NH2 3.14Å
601R62.8Low56.4Low141 Ų14195 Ų9553%0.53246%0.464SS..Hα-helixtrans-65.1-42173.7-147.3-17788.9124.65.3112.3F597 L598 A599 L604 T605F597-R601 WeakPolarHBondContact O-CB 3.45Å; F597-R601 PolarHBondContact O-N 2.94Å; L598-R601 WeakPolarHBondContact O-CB 3.33Å; L598-R601 PolarHBondContact O-N 3.06Å; A599-R601 VanDerWaalsContact C-N 3.32Å; R601-L604 PolarHBondContact O-N 3Å; R601-T605 PolarHBondContact O-N 2.91Å; R601-T605 PolarHBondContact O-OG1 3.36Å; R601-T605 VanDerWaalsContact O-OG1 3.05Å
602R65.6Low55.5Low104 Ų10496.4 Ų96.439%0.39247%0.473SS..Hα-helixtrans-63.7-48.7175.3-73.2178.1-166.1153.44.2111.7L598 A599 L604 T605 D606L598-R602 WeakPolarHBondContact O-CG 3.21Å; L598-R602 PolarHBondContact O-N 3.16Å; A599-R602 PolarHBondContact O-N 2.86Å; R602-L604 PolarHBondContact O-N 2.79Å; R602-T605 WeakPolarHBondContact CA-OG1 3.29Å; R602-T605 PolarHBondContact O-N 3.3Å; R602-T605 PolarHBondContact O-OG1 3.05Å; R602-D606 WeakPolarHBondContact O-CB 3.38Å; R602-D606 VanDerWaalsContact O-CG 3.27Å; R602-D606 PolarHBondContact O-N 2.58Å
603R68.7Low54.5Low167 Ų16795.8 Ų95.863%0.6348%0.478SS*.Hα-helixtrans-57.2-40.5174.8-74.3179.7-174.9166.13111.4A599 D606 E607A599-R603 WeakPolarHBondContact O-CB 3.44Å; A599-R603 WeakPolarHBondContact O-CG 3.43Å; A599-R603 PolarHBondContact O-N 3.3Å; R603-D606 PolarHBondContact O-N 2.84Å; R603-E607 WeakPolarHBondContact O-CB 3.27Å; R603-E607 VanDerWaalsContact O-CG 3.27Å; R603-E607 WeakPolarHBondContact O-CG 3.4Å; R603-E607 PolarHBondContact O-N 3.47Å
604L63.3Low53.2Low29 Ų2996.4 Ų96.415%0.15249%0.491CS..Hα-helixtrans-67.2-42.6177-81.6165.7000113.2K600 R601 R602 E607 E608 L684 K687K600-L604 HydrophobicContact CG-CD1 4.2Å; K600-L604 VanDerWaalsContact O-CB 3.3Å; K600-L604 WeakPolarHBondContact O-CB 3.47Å; K600-L604 WeakPolarHBondContact O-CD1 3.46Å; K600-L604 VanDerWaalsContact O-CG 3.26Å; K600-L604 WeakPolarHBondContact O-CG 3.23Å; K600-L604 PolarHBondContact O-N 3.47Å; R601-L604 PolarHBondContact O-N 3Å; R602-L604 PolarHBondContact O-N 2.79Å; L604-E607 PolarHBondContact O-N 3.07Å; L604-E608 WeakPolarHBondContact O-CB 3.24Å; L604-E608 WeakPolarHBondContact O-CG 3.41Å; L604-E608 PolarHBondContact O-N 2.93Å; L604-L684 HydrophobicContact CD1-CD2 4.31Å; L604-K687 HydrophobicContact CD1-CD 4.22Å; L604-K687 HydrophobicContact CD2-CD 3.54Å; L604-K687 HydrophobicContact CG-CD 4.48Å
605T61.6Low51.9Low61 Ų61102.9 Ų102.937%0.37451%0.514SS..Hα-helixtrans-68.5-34.8175.945.70000112.5R601 R602 E608 S609R601-T605 PolarHBondContact O-N 2.91Å; R601-T605 PolarHBondContact O-OG1 3.36Å; R601-T605 VanDerWaalsContact O-OG1 3.05Å; R602-T605 WeakPolarHBondContact CA-OG1 3.29Å; R602-T605 PolarHBondContact O-N 3.3Å; R602-T605 PolarHBondContact O-OG1 3.05Å; T605-E608 PolarHBondContact O-N 3.23Å; T605-S609 WeakPolarHBondContact O-CB 3.47Å; T605-S609 PolarHBondContact O-N 3.44Å; T605-S609 PolarHBondContact O-OG 3.36Å
606D58.7Low50.7Low92 Ų92102.5 Ų102.549%0.49252%0.522SS..Hα-helixtrans-69.2-43174.8-68.2-18.7000110.1R602 R603 E608 S609 Y610R602-D606 WeakPolarHBondContact O-CB 3.38Å; R602-D606 VanDerWaalsContact O-CG 3.27Å; R602-D606 PolarHBondContact O-N 2.58Å; R603-D606 PolarHBondContact O-N 2.84Å; D606-E608 PolarHBondContact O-N 3.45Å; D606-S609 WeakPolarHBondContact CA-OG 3.47Å; D606-S609 PolarHBondContact O-N 3.28Å; D606-S609 PolarHBondContact O-OG 3.08Å; D606-Y610 WeakPolarHBondContact O-CD2 3.47Å; D606-Y610 PolarHBondContact O-N 3.33Å; D606-Y610 VanDerWaalsContact O-N 3.08Å
607E54.8Low49.5Very low100 Ų100105.5 Ų105.547%0.46753%0.533SS..Hα-helixtrans-59-44.9172.5-77.9175.3178.300111.3R603 L604 S609 Y610 T611R603-E607 WeakPolarHBondContact O-CB 3.27Å; R603-E607 VanDerWaalsContact O-CG 3.27Å; R603-E607 WeakPolarHBondContact O-CG 3.4Å; R603-E607 PolarHBondContact O-N 3.47Å; L604-E607 PolarHBondContact O-N 3.07Å; E607-S609 VanDerWaalsContact C-N 3.34Å; E607-S609 PolarHBondContact O-N 3.31Å; E607-Y610 PolarHBondContact O-N 3.09Å; E607-T611 WeakPolarHBondContact O-CB 3.39Å; E607-T611 VanDerWaalsContact O-CG2 3.27Å; E607-T611 WeakPolarHBondContact O-CG2 3.18Å; E607-T611 PolarHBondContact O-N 3.18Å; E607-T611 PolarHBondContact O-OG1 2.65Å
608E49.2Very low48Very low112 Ų112112.1 Ų112.152%0.52357%0.565SS.*Hα-helixtrans-66.1-32.2178.2-77.7178.8175.100113.7L604 T605 D606L604-E608 WeakPolarHBondContact O-CB 3.24Å; L604-E608 WeakPolarHBondContact O-CG 3.41Å; L604-E608 PolarHBondContact O-N 2.93Å; T605-E608 PolarHBondContact O-N 3.23Å; D606-E608 PolarHBondContact O-N 3.45Å
609S49.3Very low46.5Very low74 Ų74116.8 Ų116.852%0.51759%0.594SS.*Hα-helixtrans-84.9-14.8-179.644.90000114T605 D606 E607T605-S609 WeakPolarHBondContact O-CB 3.47Å; T605-S609 PolarHBondContact O-N 3.44Å; T605-S609 PolarHBondContact O-OG 3.36Å; D606-S609 WeakPolarHBondContact CA-OG 3.47Å; D606-S609 PolarHBondContact O-N 3.28Å; D606-S609 PolarHBondContact O-OG 3.08Å; E607-S609 VanDerWaalsContact C-N 3.34Å; E607-S609 PolarHBondContact O-N 3.31Å
610Y47.5Very low44.7Very low200 Ų200122.7 Ų122.778%0.78462%0.622SS**Hα-helixtrans-101.5-11169.3-71.4-72.6000114.2D606 E607 T612D606-Y610 WeakPolarHBondContact O-CD2 3.47Å; D606-Y610 PolarHBondContact O-N 3.33Å; D606-Y610 VanDerWaalsContact O-N 3.08Å; E607-Y610 PolarHBondContact O-N 3.09Å; Y610-T612 VanDerWaalsContact C-N 3.32Å; Y610-T612 PolarHBondContact O-N 3Å
611T32.1Very low42.6Very low105 Ų105126.2 Ų126.264%0.64465%0.652SS**  trans-90.162.2171.458.70000112.3E607E607-T611 WeakPolarHBondContact O-CB 3.39Å; E607-T611 VanDerWaalsContact O-CG2 3.27Å; E607-T611 WeakPolarHBondContact O-CG2 3.18Å; E607-T611 PolarHBondContact O-N 3.18Å; E607-T611 PolarHBondContact O-OG1 2.65Å
612T31.4Very low41.1Very low123 Ų123122.7 Ų122.776%0.75566%0.659SS**  trans-85.2121162.6-42.10000108.3Y610Y610-T612 VanDerWaalsContact C-N 3.32Å; Y610-T612 PolarHBondContact O-N 3Å
613S27.8Very low39.5Very low107 Ų107128.4 Ų128.475%0.74868%0.682SS**  trans74.586.5169.1-168.80000117.6
614S26.5Very low37.7Very low117 Ų117125.5 Ų125.582%0.81869%0.685SS**  trans-128.652.7143.355.70000110.5
615F28.6Very low35.9Very low195 Ų195130.3 Ų130.386%0.85572%0.716SS**  trans-87.8106.7155.9-105.3-87.6000107.6K617F615-K617 PolarHBondContact O-N 3.32Å
616T25.7Very low34.3Very low136 Ų136136.8 Ų136.883%0.83474%0.741SS**  trans-51107.2172.645.40000110.7
617K31.1Very low32.8Very low200 Ų200140.8 Ų140.887%0.8776%0.757SS**  trans-107.5111154.9-98.4-177.6176.7175.40107.7F615 V619F615-K617 PolarHBondContact O-N 3.32Å; K617-V619 PolarHBondContact O-N 2.93Å
618E25Very low31.5Very low190 Ų190144.3 Ų144.389%0.88878%0.778SS**  trans-59.9108.7163.1-62.9176.7153.900108.9
619V31.2Very low30.1Very low135 Ų135145.2 Ų145.282%0.81879%0.792SS**  trans-150.1119.2148-175.50000109.5K617K617-V619 PolarHBondContact O-N 2.93Å
620D29.3Very low29Very low152 Ų152147.2 Ų147.281%0.81380%0.803SS**  trans8.7141.9156.7-120.5-27.4000123.7
621S25.5Very low28.1Very low111 Ų111144.1 Ų144.178%0.77680%0.799SS**  trans-72.4152.7-172.358.50000116.9
622G30.5Very low27.7Very low66 Ų66144.9 Ų144.968%0.6881%0.808SS**  trans-178.850.2172.600000118.2
623Y32.3Very low27.6Very low225 Ų225147.2 Ų147.288%0.88281%0.81SS**  trans60.8162.7154.8-70-78.5000120.1
624P30Very low27.5Very low106 Ų106149.7 Ų149.769%0.68881%0.814SS**  -132.5145.8-73.233.2-12.5000114.8
625T25.5Very low27.6Very low130 Ų130150.8 Ų150.880%0.79882%0.816SS**  trans6117.2146-36.80000119.9
626E29.4Very low27.4Very low196 Ų196146.4 Ų146.492%0.91681%0.81SS**  trans-109.2148.8141.3-89.1-169.2164.200110.1
627Q26.4Very low27.5Very low177 Ų177146.6 Ų146.683%0.82781%0.811SS**  trans-80.7129.4-156-64.6158.8-25.900113.2
628L26.5Very low27.3Very low173 Ų173143.4 Ų143.491%0.90681%0.811SS**  trans-139.5107.9155-79.1170.9000109.7
629T21.5Very low27.5Very low132 Ų132138.5 Ų138.581%0.8180%0.802SS**  trans-78.7139.5162.145.20000110.1
630P25.5Very low27.3Very low115 Ų115138 Ų13875%0.74781%0.805SS**  trans-122.9105.414915.55.2000111.5
631I28.7Very low27.5Very low136 Ų136138 Ų13870%0.69781%0.805SS**  48.6100.8124.6-54.2164000116.3E633I631-E633 HydrophobicContact CG2-CB 4.23Å; I631-E633 HydrophobicContact CG2-CG 3.78Å
632S24.6Very low28.9Very low120 Ų120136.8 Ų136.884%0.83980%0.797SS**  trans-77.7112.3147.9-56.70000108.8
633E28.4Very low30.7Very low172 Ų172138.2 Ų138.280%0.80479%0.788SS**  trans-110.7104162-93.7-178.2175.200109.4I631 T635I631-E633 HydrophobicContact CG2-CB 4.23Å; I631-E633 HydrophobicContact CG2-CG 3.78Å; E633-T635 PolarHBondContact O-N 3.22Å
634L26.3Very low32.5Very low160 Ų160131.7 Ų131.784%0.83877%0.765SS**  trans-62.8119.9162.9-79.4115.5000109.5
635T27.8Very low34.7Very low139 Ų139126.8 Ų126.885%0.85373%0.733SS**  trans-12493152.239.10000109E633E633-T635 PolarHBondContact O-N 3.22Å
636S24.7Very low37Very low103 Ų103123.2 Ų123.272%0.7271%0.709SS**  trans-71.4121.2167.4530000110.4
637T26.6Very low39.5Very low140 Ų140115.1 Ų115.186%0.85967%0.674SS**  trans-140121148.537.70000108.9
638P28Very low42.2Very low134 Ų134109.2 Ų109.287%0.8765%0.65SS**  trans-92.8127-178.634.1-28000110.2
639A28.9Very low44.9Very low86 Ų86106.4 Ų106.471%0.71163%0.632SS**  trans-146120.1163.400000108.4N641A639-N641 PolarHBondContact O-N 2.91Å
640S26.8Very low47.9Very low125 Ų125102.4 Ų102.487%0.87461%0.606SS**  trans-41.698.4-175.7-58.50000113.9
641N33.2Very low50.8Low151 Ų15196.9 Ų96.981%0.80757%0.57SS**  trans-144.7136.2167.8-79.1-36.4000107.7A639 I643A639-N641 PolarHBondContact O-N 2.91Å; N641-I643 PolarHBondContact O-N 2.81Å
642S55.6Low53.5Low86 Ų8692.2 Ų92.260%0.60155%0.545SS*.  trans-35127.3-171.750.70000115.3Q644S642-Q644 PolarHBondContact O-N 2.53Å; S642-Q644 PolarHBondContact OG-NE2 2.76Å
643I67.3Low56.4Low96 Ų9689.7 Ų89.749%0.49252%0.523SS..  trans-57.3121.7168.6-57171.1000108.1N641 L654 L666N641-I643 PolarHBondContact O-N 2.81Å; I643-L654 HydrophobicContact CG2-CD1 4.19Å; I643-L654 HydrophobicContact CG2-CD2 4.12Å; I643-L666 HydrophobicContact CB-CD1 4.17Å; I643-L666 HydrophobicContact CG2-CD1 3.67Å
644Q71.7Confident59.1Low88 Ų8882.1 Ų82.141%0.41149%0.488SS..  trans-130.2149.7178.9-68.3-178.913.100109.6S642S642-Q644 PolarHBondContact O-N 2.53Å; S642-Q644 PolarHBondContact OG-NE2 2.76Å
645I75.2Confident61.8Low4 Ų475.1 Ų75.12%0.02145%0.451CS..  trans-98.7113.2172.4-67.8173.2000107.7S647 D650 F651 L654 A663 L666 L667I645-S647 VanDerWaalsContact CG2-O 3.3Å; I645-S647 WeakPolarHBondContact CG2-O 3.32Å; I645-D650 HydrophobicContact CG2-CB 4.34Å; I645-F651 HydrophobicContact CD1-CB 4.08Å; I645-F651 HydrophobicContact CD1-CD2 3.95Å; I645-F651 HydrophobicContact CG2-CB 4.2Å; I645-L654 HydrophobicContact CD1-CD1 4.06Å; I645-L654 HydrophobicContact CG1-CD1 3.84Å; I645-A663 WeakPolarHBondContact CD1-O 3.49Å; I645-L666 HydrophobicContact CD1-CB 3.68Å; I645-L666 HydrophobicContact CG1-CB 4.09Å; I645-L667 HydrophobicContact CD1-CB 3.92Å; I645-L667 HydrophobicContact CD1-CD1 4.27Å; I645-L667 HydrophobicContact CG2-CD1 3.94Å
646N74.6Confident64.5Low54 Ų5472.6 Ų72.629%0.28944%0.438SS..  trans-109.3-18179.3-73-47.9000113.2K600 D650 K687 Y691K600-N646 PolarHBondContact NZ-OD1 2.83Å; N646-D650 WeakPolarHBondContact CA-OD2 3.41Å; N646-D650 WeakPolarHBondContact CB-OD2 3.49Å; N646-D650 PolarHBondContact N-OD2 3.34Å; N646-K687 PolarHBondContact O-NZ 3.11Å; N646-Y691 PolarHBondContact O-OH 2.98Å
647S81.3Confident67.3Low26 Ų2673.6 Ų73.618%0.18243%0.431CS..SBendtrans-134.5164.1175.880.90000111.3I645 Q649 D650 Y691I645-S647 VanDerWaalsContact CG2-O 3.3Å; I645-S647 WeakPolarHBondContact CG2-O 3.32Å; S647-Q649 PolarHBondContact O-N 2.9Å; S647-Q649 WeakPolarHBondContact OG-CB 3.38Å; S647-Q649 PolarHBondContact OG-N 3.36Å; S647-Q649 VanDerWaalsContact OG-N 3.14Å; S647-D650 PolarHBondContact N-OD2 2.91Å; S647-D650 PolarHBondContact O-N 2.76Å; S647-D650 PolarHBondContact OG-N 2.82Å; S647-D650 PolarHBondContact OG-OD1 2.91Å; S647-Y691 PolarHBondContact N-OH 3.49Å
648V82.5Confident69.8Low53 Ų5374.4 Ų74.432%0.32143%0.425SS..Hα-helixtrans-61.9-30.6169.5172.10000110.4F651 E652 Y691 A694V648-F651 WeakPolarHBondContact O-CB 3.47Å; V648-F651 PolarHBondContact O-N 2.84Å; V648-E652 PolarHBondContact O-N 2.83Å; V648-E652 VanDerWaalsContact O-N 3.13Å; V648-Y691 HydrophobicContact CG2-CD1 3.6Å; V648-Y691 HydrophobicContact CG2-CE1 3.78Å; V648-A694 HydrophobicContact CG1-CB 3.53Å; V648-A694 HydrophobicContact CG2-CB 4.21Å
649Q83.4Confident72.5Confident114 Ų11471.6 Ų71.653%0.53340%0.401SS..Hα-helixtrans-66.9-38.5179-168.359.843.300111.7S647 F651 E652 D653S647-Q649 PolarHBondContact O-N 2.9Å; S647-Q649 WeakPolarHBondContact OG-CB 3.38Å; S647-Q649 PolarHBondContact OG-N 3.36Å; S647-Q649 VanDerWaalsContact OG-N 3.14Å; Q649-F651 PolarHBondContact O-N 3.29Å; Q649-E652 CarbonylContact O-C 3.55Å; Q649-E652 PolarHBondContact O-N 2.8Å; Q649-E652 VanDerWaalsContact O-N 3.1Å; Q649-D653 PolarHBondContact NE2-OD1 3.28Å; Q649-D653 WeakPolarHBondContact O-CB 3.48Å; Q649-D653 PolarHBondContact O-N 3.32Å
650D85.2Confident75.1Confident48 Ų4868.2 Ų68.226%0.25737%0.371SS..Hα-helixtrans-61.8-37177.9-52.6-9.2000111.1I645 N646 S647 L654I645-D650 HydrophobicContact CG2-CB 4.34Å; N646-D650 WeakPolarHBondContact CA-OD2 3.41Å; N646-D650 WeakPolarHBondContact CB-OD2 3.49Å; N646-D650 PolarHBondContact N-OD2 3.34Å; S647-D650 PolarHBondContact N-OD2 2.91Å; S647-D650 PolarHBondContact O-N 2.76Å; S647-D650 PolarHBondContact OG-N 2.82Å; S647-D650 PolarHBondContact OG-OD1 2.91Å; D650-L654 VanDerWaalsContact O-CG 3.28Å; D650-L654 WeakPolarHBondContact O-CG 3.18Å; D650-L654 PolarHBondContact O-N 3.43Å
651F86.9Confident78Confident0 Ų068 Ų680%036%0.356CS..Hα-helixtrans-64.7-49.3173174.8-108.7000111.1I645 V648 Q649 D653 L654 I655 A663 L667 Y695 R698I645-F651 HydrophobicContact CD1-CB 4.08Å; I645-F651 HydrophobicContact CD1-CD2 3.95Å; I645-F651 HydrophobicContact CG2-CB 4.2Å; V648-F651 WeakPolarHBondContact O-CB 3.47Å; V648-F651 PolarHBondContact O-N 2.84Å; Q649-F651 PolarHBondContact O-N 3.29Å; F651-D653 VanDerWaalsContact C-N 3.29Å; F651-D653 PolarHBondContact O-N 2.96Å; F651-L654 PolarHBondContact O-N 3.12Å; F651-I655 HydrophobicContact CD1-CG1 4.47Å; F651-I655 HydrophobicContact CD2-CG1 4.38Å; F651-I655 HydrophobicContact CE1-CG1 4.14Å; F651-I655 HydrophobicContact CE2-CD1 4Å; F651-I655 HydrophobicContact CE2-CG1 4.04Å; F651-I655 HydrophobicContact CZ-CD1 3.93Å; F651-I655 HydrophobicContact CZ-CG1 3.92Å; F651-I655 VanDerWaalsContact O-CG1 3.23Å; F651-I655 WeakPolarHBondContact O-CG1 3.48Å; F651-I655 PolarHBondContact O-N 2.84Å; F651-A663 HydrophobicContact CD2-CB 3.87Å; F651-A663 HydrophobicContact CE2-CB 3.82Å; F651-L667 HydrophobicContact CB-CD1 4.15Å; F651-L667 HydrophobicContact CD1-CD2 4.06Å; F651-L667 HydrophobicContact CD2-CB 3.86Å; F651-L667 HydrophobicContact CD2-CD1 4.21Å; F651-L667 HydrophobicContact CD2-CD2 3.7Å; F651-L667 HydrophobicContact CD2-CG 4.14Å; F651-L667 HydrophobicContact CE1-CD2 4.01Å; F651-L667 HydrophobicContact CE2-CB 4.06Å; F651-L667 HydrophobicContact CE2-CD2 3.64Å; F651-L667 HydrophobicContact CE2-CG 4.4Å; F651-L667 HydrophobicContact CG-CD1 4.16Å; F651-L667 HydrophobicContact CG-CD2 3.9Å; F651-L667 HydrophobicContact CG-CG 4.47Å; F651-L667 HydrophobicContact CZ-CD2 3.8Å; F651-Y695 HydrophobicContact CZ-CD2 4.08Å; F651-R698 HydrophobicContact CE1-CB 4.25Å
652E84.8Confident80.6Confident37 Ų3763.8 Ų63.817%0.17334%0.336CS..Hα-helixtrans-60.7-37.5177.4-70.5-69173.500112.3V648 Q649 I655 C656 R698V648-E652 PolarHBondContact O-N 2.83Å; V648-E652 VanDerWaalsContact O-N 3.13Å; Q649-E652 CarbonylContact O-C 3.55Å; Q649-E652 PolarHBondContact O-N 2.8Å; Q649-E652 VanDerWaalsContact O-N 3.1Å; E652-I655 PolarHBondContact O-N 3.05Å; E652-C656 WeakPolarHBondContact O-CB 3.31Å; E652-C656 PolarHBondContact O-N 2.78Å; E652-C656 PolarHBondContact O-SG 2.78Å; E652-R698 WeakPolarHBondContact OE1-CD 3.49Å; E652-R698 IonicContact OE1-NE 3.01Å; E652-R698 WeakPolarHBondContact OE2-CD 3.36Å; E652-R698 IonicContact OE2-CZ 2.89Å; E652-R698 IonicContact OE2-NE 3.69Å; E652-R698 PolarHBondContact OE2-NE 3.36Å; E652-R698 IonicContact OE2-NH2 3.68Å
653D84.5Confident82.1Confident67 Ų6759.7 Ų59.736%0.35831%0.308SS..Hα-helixtrans-67.3-42.5178-69.3-12000111.3Q649 F651 I655 C656 Q657Q649-D653 PolarHBondContact NE2-OD1 3.28Å; Q649-D653 WeakPolarHBondContact O-CB 3.48Å; Q649-D653 PolarHBondContact O-N 3.32Å; F651-D653 VanDerWaalsContact C-N 3.29Å; F651-D653 PolarHBondContact O-N 2.96Å; D653-I655 VanDerWaalsContact C-N 3.33Å; D653-I655 PolarHBondContact O-N 3.36Å; D653-C656 CarbonylContact O-C 3.58Å; D653-C656 PolarHBondContact O-N 3.13Å; D653-Q657 WeakPolarHBondContact O-CB 3.37Å; D653-Q657 VanDerWaalsContact O-CG 3.27Å; D653-Q657 WeakPolarHBondContact O-CG 3.48Å; D653-Q657 PolarHBondContact O-N 3.23Å
654L85.8Confident83.3Confident14 Ų1455.3 Ų55.37%0.07329%0.285CS..Hα-helixtrans-64.8-37.4174.7-72.4170.8000112.1I643 I645 D650 F651 Q657 Q658 Q659 A663 L666I643-L654 HydrophobicContact CG2-CD1 4.19Å; I643-L654 HydrophobicContact CG2-CD2 4.12Å; I645-L654 HydrophobicContact CD1-CD1 4.06Å; I645-L654 HydrophobicContact CG1-CD1 3.84Å; D650-L654 VanDerWaalsContact O-CG 3.28Å; D650-L654 WeakPolarHBondContact O-CG 3.18Å; D650-L654 PolarHBondContact O-N 3.43Å; F651-L654 PolarHBondContact O-N 3.12Å; L654-Q657 PolarHBondContact O-N 3.45Å; L654-Q658 PolarHBondContact O-N 3.25Å; L654-Q659 PolarHBondContact O-N 3.13Å; L654-A663 HydrophobicContact CB-CB 3.71Å; L654-A663 HydrophobicContact CD1-CB 4.41Å; L654-L666 HydrophobicContact CD1-CD1 4.3Å
655I84.2Confident84.1Confident12 Ų1258.5 Ų58.56%0.06229%0.293CS..Hα-helixtrans-64.6-42172.6-62.9-71000110.1F651 E652 D653 Q657 Q658 T660 A663 R698 I729F651-I655 HydrophobicContact CD1-CG1 4.47Å; F651-I655 HydrophobicContact CD2-CG1 4.38Å; F651-I655 HydrophobicContact CE1-CG1 4.14Å; F651-I655 HydrophobicContact CE2-CD1 4Å; F651-I655 HydrophobicContact CE2-CG1 4.04Å; F651-I655 HydrophobicContact CZ-CD1 3.93Å; F651-I655 HydrophobicContact CZ-CG1 3.92Å; F651-I655 VanDerWaalsContact O-CG1 3.23Å; F651-I655 WeakPolarHBondContact O-CG1 3.48Å; F651-I655 PolarHBondContact O-N 2.84Å; E652-I655 PolarHBondContact O-N 3.05Å; D653-I655 VanDerWaalsContact C-N 3.33Å; D653-I655 PolarHBondContact O-N 3.36Å; I655-Q657 VanDerWaalsContact C-N 3.29Å; I655-Q657 PolarHBondContact O-N 2.87Å; I655-Q658 PolarHBondContact O-N 2.88Å; I655-Q658 VanDerWaalsContact O-N 3.11Å; I655-T660 HydrophobicContact CD1-CG2 3.83Å; I655-A663 HydrophobicContact CD1-CB 3.7Å; I655-A663 HydrophobicContact CG1-CB 4.04Å; I655-R698 HydrophobicContact CG2-CG 4.45Å; I655-I729 HydrophobicContact CD1-CD1 3.88Å; I655-I729 HydrophobicContact CD1-CG1 4.29Å; I655-I729 HydrophobicContact CG2-CD1 4.32Å
656C83.7Confident84.8Confident87 Ų8760.2 Ų60.259%0.58830%0.302SS*.Hα-helixtrans-66.1-30176.4-69.30000112.8E652 D653 Q658E652-C656 WeakPolarHBondContact O-CB 3.31Å; E652-C656 PolarHBondContact O-N 2.78Å; E652-C656 PolarHBondContact O-SG 2.78Å; D653-C656 CarbonylContact O-C 3.58Å; D653-C656 PolarHBondContact O-N 3.13Å; C656-Q658 PolarHBondContact O-N 3.37Å
657Q83.1Confident85.6Confident123 Ų12357.7 Ų57.758%0.57529%0.289SS*.THydrogen-bonded Turntrans-78.38.4173.1-69.2173.525.200113.8D653 L654 I655 Q659D653-Q657 WeakPolarHBondContact O-CB 3.37Å; D653-Q657 VanDerWaalsContact O-CG 3.27Å; D653-Q657 WeakPolarHBondContact O-CG 3.48Å; D653-Q657 PolarHBondContact O-N 3.23Å; L654-Q657 PolarHBondContact O-N 3.45Å; I655-Q657 VanDerWaalsContact C-N 3.29Å; I655-Q657 PolarHBondContact O-N 2.87Å; Q657-Q659 PolarHBondContact O-N 3.14Å
658Q79.6Confident86.1Confident157 Ų15758.5 Ų58.573%0.73429%0.29SS*.THydrogen-bonded Turntrans60.622.5-177.1-56.3-177.45.900114.3L654 I655 C656 T660L654-Q658 PolarHBondContact O-N 3.25Å; I655-Q658 PolarHBondContact O-N 2.88Å; I655-Q658 VanDerWaalsContact O-N 3.11Å; C656-Q658 PolarHBondContact O-N 3.37Å; Q658-T660 VanDerWaalsContact C-N 3.31Å; Q658-T660 PolarHBondContact O-N 3.35Å
659Q83.5Confident86.5Confident75 Ų7563.2 Ų63.235%0.3531%0.306SS..  trans-95.550.1175.4-64.2-168.6-9.400111.5L654 Q657 E661 V662 A663L654-Q659 PolarHBondContact O-N 3.13Å; Q657-Q659 PolarHBondContact O-N 3.14Å; Q659-E661 PolarHBondContact O-N 2.98Å; Q659-V662 HydrophobicContact CB-CB 4.41Å; Q659-V662 PolarHBondContact O-N 3.37Å; Q659-A663 WeakPolarHBondContact O-CB 3.27Å; Q659-A663 PolarHBondContact O-N 2.83Å
660T85.3Confident86.8Confident15 Ų1558.8 Ų58.89%0.09229%0.285CS..Hα-helixtrans-60.4-45.7-167.6-470000114.2I655 Q658 V662 A663 C664 C725 I729I655-T660 HydrophobicContact CD1-CG2 3.83Å; Q658-T660 VanDerWaalsContact C-N 3.31Å; Q658-T660 PolarHBondContact O-N 3.35Å; T660-V662 PolarHBondContact O-N 3.31Å; T660-A663 PolarHBondContact O-N 3.29Å; T660-C664 WeakPolarHBondContact O-CB 3.47Å; T660-C664 PolarHBondContact O-N 3.41Å; T660-C664 PolarHBondContact O-SG 3.16Å; T660-C725 PolarHBondContact OG1-SG 3.05Å; T660-I729 HydrophobicContact CG2-CD1 3.77Å; T660-I729 HydrophobicContact CG2-CG1 3.23Å
661E86.3Confident87Confident120 Ų12056.5 Ų56.556%0.56127%0.273SS*.Hα-helixtrans-66.2-38.1-179.9-167.3-175.2164.800111.8Q659 R665Q659-E661 PolarHBondContact O-N 2.98Å; E661-R665 PolarHBondContact O-N 3.5Å; E661-R665 IonicContact OE1-CZ 2.76Å; E661-R665 IonicContact OE1-NH1 3.97Å; E661-R665 PolarHBondContact OE1-NH1 3.06Å; E661-R665 IonicContact OE1-NH2 2.7Å; E661-R665 PolarHBondContact OE1-NH2 3.45Å
662V87.8Confident87Confident64 Ų6459.6 Ų59.639%0.38829%0.289SS..Hα-helixtrans-70-44178-1770000110.2Q659 T660 C664 R665 L666Q659-V662 HydrophobicContact CB-CB 4.41Å; Q659-V662 PolarHBondContact O-N 3.37Å; T660-V662 PolarHBondContact O-N 3.31Å; V662-C664 PolarHBondContact O-N 3.37Å; V662-R665 PolarHBondContact O-N 3.42Å; V662-L666 HydrophobicContact CG1-CD1 3.8Å; V662-L666 HydrophobicContact CG1-CG 4.2Å; V662-L666 WeakPolarHBondContact O-CB 3.15Å; V662-L666 VanDerWaalsContact O-CG 3.3Å; V662-L666 WeakPolarHBondContact O-CG 3.32Å; V662-L666 PolarHBondContact O-N 3.1Å
663A88.5Confident87.1Confident0 Ų062 Ų620%030%0.297CS..Hα-helixtrans-57.2-49176.100000111.3I645 F651 L654 I655 Q659 T660 L666 L667I645-A663 WeakPolarHBondContact CD1-O 3.49Å; F651-A663 HydrophobicContact CD2-CB 3.87Å; F651-A663 HydrophobicContact CE2-CB 3.82Å; L654-A663 HydrophobicContact CB-CB 3.71Å; L654-A663 HydrophobicContact CD1-CB 4.41Å; I655-A663 HydrophobicContact CD1-CB 3.7Å; I655-A663 HydrophobicContact CG1-CB 4.04Å; Q659-A663 WeakPolarHBondContact O-CB 3.27Å; Q659-A663 PolarHBondContact O-N 2.83Å; T660-A663 PolarHBondContact O-N 3.29Å; A663-L666 PolarHBondContact O-N 3.49Å; A663-L667 VanDerWaalsContact O-CB 3.31Å; A663-L667 WeakPolarHBondContact O-CB 3.34Å; A663-L667 PolarHBondContact O-N 3.24Å
664C90.9Very high87.2Confident4 Ų458.9 Ų58.93%0.02728%0.28CS..Hα-helixtrans-60-52.8177.7-68.30000111.6T660 V662 L666 L667 E668 Y695 A732T660-C664 WeakPolarHBondContact O-CB 3.47Å; T660-C664 PolarHBondContact O-N 3.41Å; T660-C664 PolarHBondContact O-SG 3.16Å; V662-C664 PolarHBondContact O-N 3.37Å; C664-L666 VanDerWaalsContact C-N 3.35Å; C664-L666 PolarHBondContact O-N 2.89Å; C664-L667 PolarHBondContact O-N 3.03Å; C664-E668 WeakPolarHBondContact O-CB 3.37Å; C664-E668 VanDerWaalsContact O-CG 3.27Å; C664-E668 WeakPolarHBondContact O-CG 3.46Å; C664-E668 PolarHBondContact O-N 3.27Å; C664-Y695 HydrophobicContact CB-CE2 4.34Å; C664-Y695 WeakPolarHBondContact CB-OH 3.26Å; C664-A732 HydrophobicContact CB-CB 4.3Å
665R90.2Very high87.2Confident154 Ų15458.2 Ų58.258%0.58128%0.276SS*.Hα-helixtrans-60-41.2180-81.4-162.4-177.3107.310.4113.3E661 V662 K669E661-R665 PolarHBondContact O-N 3.5Å; E661-R665 IonicContact OE1-CZ 2.76Å; E661-R665 IonicContact OE1-NH1 3.97Å; E661-R665 PolarHBondContact OE1-NH1 3.06Å; E661-R665 IonicContact OE1-NH2 2.7Å; E661-R665 PolarHBondContact OE1-NH2 3.45Å; V662-R665 PolarHBondContact O-N 3.42Å; R665-K669 WeakPolarHBondContact O-CB 3.42Å; R665-K669 PolarHBondContact O-N 3.31Å
666L89.7Confident87.1Confident40 Ų4060.9 Ų60.921%0.20929%0.294CS..Hα-helixtrans-67.4-40178.5-71.8177.8000111.2I643 I645 L654 V662 A663 C664 K669 E670I643-L666 HydrophobicContact CB-CD1 4.17Å; I643-L666 HydrophobicContact CG2-CD1 3.67Å; I645-L666 HydrophobicContact CD1-CB 3.68Å; I645-L666 HydrophobicContact CG1-CB 4.09Å; L654-L666 HydrophobicContact CD1-CD1 4.3Å; V662-L666 HydrophobicContact CG1-CD1 3.8Å; V662-L666 HydrophobicContact CG1-CG 4.2Å; V662-L666 WeakPolarHBondContact O-CB 3.15Å; V662-L666 VanDerWaalsContact O-CG 3.3Å; V662-L666 WeakPolarHBondContact O-CG 3.32Å; V662-L666 PolarHBondContact O-N 3.1Å; A663-L666 PolarHBondContact O-N 3.49Å; C664-L666 VanDerWaalsContact C-N 3.35Å; C664-L666 PolarHBondContact O-N 2.89Å; L666-K669 PolarHBondContact O-N 2.95Å; L666-E670 WeakPolarHBondContact O-CB 3.46Å; L666-E670 PolarHBondContact O-N 3.49Å
667L91.2Very high87Confident1 Ų157.9 Ų57.91%0.00527%0.272CS..Hα-helixtrans-67.4-44.6178.7-168.173.5000110.9I645 F651 A663 C664 K669 E670 I671 Y691 Y695I645-L667 HydrophobicContact CD1-CB 3.92Å; I645-L667 HydrophobicContact CD1-CD1 4.27Å; I645-L667 HydrophobicContact CG2-CD1 3.94Å; F651-L667 HydrophobicContact CB-CD1 4.15Å; F651-L667 HydrophobicContact CD1-CD2 4.06Å; F651-L667 HydrophobicContact CD2-CB 3.86Å; F651-L667 HydrophobicContact CD2-CD1 4.21Å; F651-L667 HydrophobicContact CD2-CD2 3.7Å; F651-L667 HydrophobicContact CD2-CG 4.14Å; F651-L667 HydrophobicContact CE1-CD2 4.01Å; F651-L667 HydrophobicContact CE2-CB 4.06Å; F651-L667 HydrophobicContact CE2-CD2 3.64Å; F651-L667 HydrophobicContact CE2-CG 4.4Å; F651-L667 HydrophobicContact CG-CD1 4.16Å; F651-L667 HydrophobicContact CG-CD2 3.9Å; F651-L667 HydrophobicContact CG-CG 4.47Å; F651-L667 HydrophobicContact CZ-CD2 3.8Å; A663-L667 VanDerWaalsContact O-CB 3.31Å; A663-L667 WeakPolarHBondContact O-CB 3.34Å; A663-L667 PolarHBondContact O-N 3.24Å; C664-L667 PolarHBondContact O-N 3.03Å; L667-K669 VanDerWaalsContact C-N 3.34Å; L667-K669 PolarHBondContact O-N 3.43Å; L667-E670 PolarHBondContact O-N 3.44Å; L667-I671 HydrophobicContact CG-CD1 4.11Å; L667-I671 VanDerWaalsContact O-CG1 3.29Å; L667-I671 WeakPolarHBondContact O-CG1 3.43Å; L667-I671 PolarHBondContact O-N 3.42Å; L667-Y691 HydrophobicContact CD1-CD1 4.45Å; L667-Y691 HydrophobicContact CD1-CD2 4.17Å; L667-Y691 HydrophobicContact CD1-CG 3.96Å; L667-Y695 HydrophobicContact CD2-CD1 3.94Å; L667-Y695 HydrophobicContact CD2-CD2 4.38Å; L667-Y695 HydrophobicContact CD2-CG 3.72Å
668E92.1Very high86.4Confident43 Ų4357.4 Ų57.420%0.20128%0.279CS..Hα-helixtrans-56.5-46.6174.3-71.5176.4-163.500111.7C664 E670 I671 I672 Y695 F736C664-E668 WeakPolarHBondContact O-CB 3.37Å; C664-E668 VanDerWaalsContact O-CG 3.27Å; C664-E668 WeakPolarHBondContact O-CG 3.46Å; C664-E668 PolarHBondContact O-N 3.27Å; E668-E670 PolarHBondContact O-N 3.17Å; E668-I671 PolarHBondContact O-N 3.32Å; E668-I672 WeakPolarHBondContact O-CG1 3.47Å; E668-I672 PolarHBondContact O-N 3.21Å; E668-Y695 HydrophobicContact CG-CE1 3.69Å; E668-Y695 PolarHBondContact OE1-OH 3.37Å; E668-Y695 VanDerWaalsContact OE1-OH 3.05Å; E668-F736 HydrophobicContact CB-CD2 3.72Å; E668-F736 HydrophobicContact CB-CE2 3.69Å; E668-F736 HydrophobicContact CB-CG 4.47Å; E668-F736 HydrophobicContact CB-CZ 4.42Å; E668-F736 HydrophobicContact CG-CB 4.07Å; E668-F736 HydrophobicContact CG-CD1 4.39Å; E668-F736 HydrophobicContact CG-CD2 3.42Å; E668-F736 VanDerWaalsContact CG-CD2 3.42Å; E668-F736 HydrophobicContact CG-CE2 3.85Å; E668-F736 HydrophobicContact CG-CG 3.71Å; E668-F736 HydrophobicContact CG-CZ 4.48Å
669K90.1Very high85.7Confident152 Ų15254.4 Ų54.466%0.66126%0.264SS*.Hα-helixtrans-63-41.5177.8-172.8-179178.1-174.50111.7R665 L666 L667 I672 R673R665-K669 WeakPolarHBondContact O-CB 3.42Å; R665-K669 PolarHBondContact O-N 3.31Å; L666-K669 PolarHBondContact O-N 2.95Å; L667-K669 VanDerWaalsContact C-N 3.34Å; L667-K669 PolarHBondContact O-N 3.43Å; K669-I672 PolarHBondContact O-N 3.29Å; K669-R673 WeakPolarHBondContact O-CB 3.43Å; K669-R673 PolarHBondContact O-N 2.69Å
670E89.2Confident84.9Confident21 Ų2150.9 Ų50.910%0.09825%0.248CC..Hα-helixtrans-70.1-38.8179.2-171.465.7-176.800111.7K600 L666 L667 E668 R673 L674 Y691K600-E670 IonicContact NZ-OE1 2.81Å; K600-E670 PolarHBondContact NZ-OE1 3.06Å; L666-E670 WeakPolarHBondContact O-CB 3.46Å; L666-E670 PolarHBondContact O-N 3.49Å; L667-E670 PolarHBondContact O-N 3.44Å; E668-E670 PolarHBondContact O-N 3.17Å; E670-R673 PolarHBondContact O-N 3.48Å; E670-R673 IonicContact OE1-CZ 3.05Å; E670-R673 IonicContact OE1-NE 2.76Å; E670-R673 PolarHBondContact OE1-NE 3.4Å; E670-R673 IonicContact OE1-NH2 3.48Å; E670-R673 PolarHBondContact OE1-NH2 3.21Å; E670-R673 IonicContact OE2-CZ 3.22Å; E670-R673 IonicContact OE2-NE 3.83Å; E670-R673 PolarHBondContact OE2-NE 3.07Å; E670-R673 IonicContact OE2-NH2 2.64Å; E670-L674 HydrophobicContact CG-CD1 4.19Å; E670-L674 HydrophobicContact CG-CG 4.39Å; E670-L674 WeakPolarHBondContact O-CB 3.31Å; E670-L674 VanDerWaalsContact O-CG 3.25Å; E670-L674 WeakPolarHBondContact O-CG 3.49Å; E670-L674 PolarHBondContact O-N 3.43Å; E670-Y691 HydrophobicContact CG-CD2 4.13Å; E670-Y691 HydrophobicContact CG-CE2 3.63Å
671I88.9Confident83.7Confident0 Ų053.8 Ų53.80%027%0.273CS..Hα-helixtrans-60.2-48.6172.3-68.2166.8000110.1L667 E668 R673 L674 V675 Y691 L692 F736 W740 F767L667-I671 HydrophobicContact CG-CD1 4.11Å; L667-I671 VanDerWaalsContact O-CG1 3.29Å; L667-I671 WeakPolarHBondContact O-CG1 3.43Å; L667-I671 PolarHBondContact O-N 3.42Å; E668-I671 PolarHBondContact O-N 3.32Å; I671-R673 VanDerWaalsContact C-N 3.33Å; I671-R673 PolarHBondContact O-N 3.42Å; I671-L674 PolarHBondContact O-N 3Å; I671-V675 HydrophobicContact CG2-CG2 4.5Å; I671-V675 VanDerWaalsContact O-CG2 3.28Å; I671-V675 WeakPolarHBondContact O-CG2 3.41Å; I671-V675 PolarHBondContact O-N 3.18Å; I671-Y691 HydrophobicContact CG1-CD2 4.41Å; I671-L692 HydrophobicContact CD1-CB 4.34Å; I671-L692 HydrophobicContact CD1-CD1 4.1Å; I671-F736 HydrophobicContact CB-CZ 4.27Å; I671-F736 HydrophobicContact CD1-CE1 4.46Å; I671-F736 HydrophobicContact CG2-CE1 4.38Å; I671-F736 HydrophobicContact CG2-CZ 4.02Å; I671-W740 HydrophobicContact CG2-CH2 4.45Å; I671-W740 HydrophobicContact CG2-CZ3 4.15Å; I671-F767 HydrophobicContact CG2-CE1 4.25Å; I671-F767 HydrophobicContact CG2-CZ 4.27Å
672I87.7Confident82.5Confident65 Ų6553.3 Ų53.333%0.33328%0.278SS..Hα-helixtrans-58-47.9176.9-68167.3000110.1E668 K669 L674 V675 T676 F736 W740E668-I672 WeakPolarHBondContact O-CG1 3.47Å; E668-I672 PolarHBondContact O-N 3.21Å; K669-I672 PolarHBondContact O-N 3.29Å; I672-L674 PolarHBondContact O-N 3Å; I672-V675 PolarHBondContact O-N 3.12Å; I672-T676 HydrophobicContact CG2-CG2 4.27Å; I672-T676 WeakPolarHBondContact O-CG2 3.3Å; I672-T676 PolarHBondContact O-N 3.4Å; I672-T676 PolarHBondContact O-OG1 3.25Å; I672-F736 HydrophobicContact CD1-CE2 3.97Å; I672-F736 HydrophobicContact CG1-CE2 4.01Å; I672-F736 HydrophobicContact CG1-CZ 4.33Å; I672-W740 HydrophobicContact CB-CZ3 4.42Å; I672-W740 HydrophobicContact CG1-CE3 4.19Å; I672-W740 HydrophobicContact CG1-CH2 4.37Å; I672-W740 HydrophobicContact CG1-CZ3 3.54Å
673R87.3Confident81.7Confident88 Ų8854.3 Ų54.333%0.33228%0.281SS..Hα-helixtrans-57.6-49.5179.5-169.6-17577.183.58.9111.6K600 K669 E670 I671 V675 T676 D677K600-R673 VanDerWaalsContact NZ-NH2 3.14Å; K669-R673 WeakPolarHBondContact O-CB 3.43Å; K669-R673 PolarHBondContact O-N 2.69Å; E670-R673 PolarHBondContact O-N 3.48Å; E670-R673 IonicContact OE1-CZ 3.05Å; E670-R673 IonicContact OE1-NE 2.76Å; E670-R673 PolarHBondContact OE1-NE 3.4Å; E670-R673 IonicContact OE1-NH2 3.48Å; E670-R673 PolarHBondContact OE1-NH2 3.21Å; E670-R673 IonicContact OE2-CZ 3.22Å; E670-R673 IonicContact OE2-NE 3.83Å; E670-R673 PolarHBondContact OE2-NE 3.07Å; E670-R673 IonicContact OE2-NH2 2.64Å; I671-R673 VanDerWaalsContact C-N 3.33Å; I671-R673 PolarHBondContact O-N 3.42Å; R673-V675 PolarHBondContact O-N 3.1Å; R673-T676 PolarHBondContact O-N 3.3Å; R673-T676 PolarHBondContact O-OG1 3.14Å; R673-D677 PolarHBondContact O-N 2.96Å; R673-D677 VanDerWaalsContact O-N 3.16Å
674L86.7Confident81.3Confident1 Ų155.4 Ų55.41%0.00529%0.287CS..Hα-helixtrans-64.3-26.4-179.7-72.2173.2000113.2E670 I671 I672 T680 L684 K687 A688 Y691E670-L674 HydrophobicContact CG-CD1 4.19Å; E670-L674 HydrophobicContact CG-CG 4.39Å; E670-L674 WeakPolarHBondContact O-CB 3.31Å; E670-L674 VanDerWaalsContact O-CG 3.25Å; E670-L674 WeakPolarHBondContact O-CG 3.49Å; E670-L674 PolarHBondContact O-N 3.43Å; I671-L674 PolarHBondContact O-N 3Å; I672-L674 PolarHBondContact O-N 3Å; L674-T680 WeakPolarHBondContact O-CB 3.19Å; L674-T680 WeakPolarHBondContact O-CG2 3.34Å; L674-T680 PolarHBondContact O-OG1 2.86Å; L674-L684 HydrophobicContact CD2-CB 4.27Å; L674-L684 HydrophobicContact CD2-CD1 4.33Å; L674-L684 HydrophobicContact CD2-CD2 4.29Å; L674-K687 HydrophobicContact CD1-CB 4.45Å; L674-K687 HydrophobicContact CD1-CD 4.48Å; L674-K687 HydrophobicContact CD1-CG 3.98Å; L674-A688 HydrophobicContact CB-CB 3.92Å; L674-A688 HydrophobicContact CD1-CB 4.36Å; L674-Y691 HydrophobicContact CD1-CD2 3.62Å; L674-Y691 HydrophobicContact CD1-CE2 3.57Å
675V85.8Confident80.8Confident0 Ų057.2 Ų57.20%029%0.293CS..Hα-helixtrans-88.2-31178.3175.60000112.6I671 I672 R673 D677 T680 A688 W740 S763 K764 F767I671-V675 HydrophobicContact CG2-CG2 4.5Å; I671-V675 VanDerWaalsContact O-CG2 3.28Å; I671-V675 WeakPolarHBondContact O-CG2 3.41Å; I671-V675 PolarHBondContact O-N 3.18Å; I672-V675 PolarHBondContact O-N 3.12Å; R673-V675 PolarHBondContact O-N 3.1Å; V675-D677 VanDerWaalsContact C-N 3.32Å; V675-T680 VanDerWaalsContact C-OG1 3.23Å; V675-T680 PolarHBondContact O-OG1 2.84Å; V675-T680 VanDerWaalsContact O-OG1 3.05Å; V675-A688 HydrophobicContact CG2-CB 3.85Å; V675-W740 HydrophobicContact CB-CH2 3.91Å; V675-W740 HydrophobicContact CB-CZ2 4.34Å; V675-W740 HydrophobicContact CG1-CH2 3.96Å; V675-W740 HydrophobicContact CG1-CZ2 3.87Å; V675-W740 HydrophobicContact CG2-CH2 3.98Å; V675-W740 HydrophobicContact CG2-CZ2 4.49Å; V675-S763 WeakPolarHBondContact O-CB 3.1Å; V675-S763 PolarHBondContact O-OG 3.04Å; V675-K764 HydrophobicContact CG1-CG 4.21Å; V675-F767 HydrophobicContact CB-CG 4.41Å; V675-F767 HydrophobicContact CG1-CB 3.6Å; V675-F767 HydrophobicContact CG1-CD1 4.17Å; V675-F767 HydrophobicContact CG1-CG 3.87Å; V675-F767 HydrophobicContact CG2-CB 4.22Å; V675-F767 HydrophobicContact CG2-CD1 3.66Å; V675-F767 HydrophobicContact CG2-CD2 3.61Å; V675-F767 HydrophobicContact CG2-CE1 3.81Å; V675-F767 HydrophobicContact CG2-CE2 3.75Å; V675-F767 HydrophobicContact CG2-CG 3.56Å; V675-F767 HydrophobicContact CG2-CZ 3.84Å
676T82.4Confident80.5Confident69 Ų6953.9 Ų53.942%0.42329%0.291SS..Hα-helixtrans-86.2-2.5177.755.10000113.9I672 R673 K764I672-T676 HydrophobicContact CG2-CG2 4.27Å; I672-T676 WeakPolarHBondContact O-CG2 3.3Å; I672-T676 PolarHBondContact O-N 3.4Å; I672-T676 PolarHBondContact O-OG1 3.25Å; R673-T676 PolarHBondContact O-N 3.3Å; R673-T676 PolarHBondContact O-OG1 3.14Å; T676-K764 HydrophobicContact CG2-CD 4.4Å; T676-K764 HydrophobicContact CG2-CG 4.2Å
677D80.2Confident80.3Confident24 Ų2453.3 Ų53.313%0.12829%0.287CS..SBendtrans-69.2139.2179-167.4-71.4000111R673 V675 F679 T680 L684R673-D677 PolarHBondContact O-N 2.96Å; R673-D677 VanDerWaalsContact O-N 3.16Å; V675-D677 VanDerWaalsContact C-N 3.32Å; D677-F679 PolarHBondContact O-N 2.94Å; D677-F679 WeakPolarHBondContact OD1-CB 3.46Å; D677-F679 WeakPolarHBondContact OD1-CD2 3.44Å; D677-F679 PolarHBondContact OD1-N 3Å; D677-T680 PolarHBondContact N-OG1 2.9Å; D677-T680 WeakPolarHBondContact O-CB 3.3Å; D677-T680 PolarHBondContact O-N 2.61Å; D677-T680 PolarHBondContact O-OG1 3.05Å; D677-L684 HydrophobicContact CB-CD1 3.81Å
678P70.8Confident80.1Confident113 Ų11353.3 Ų53.373%0.73429%0.287SS*.THydrogen-bonded Turntrans-55-27.5177.5-2533.3000114
679F64.8Low79.8Confident94 Ų9452.1 Ų52.141%0.41228%0.282SS..THydrogen-bonded Turntrans-93.54.1-179.5-58.1-74.4000113.7D677 A681 T682 L683D677-F679 PolarHBondContact O-N 2.94Å; D677-F679 WeakPolarHBondContact OD1-CB 3.46Å; D677-F679 WeakPolarHBondContact OD1-CD2 3.44Å; D677-F679 PolarHBondContact OD1-N 3Å; F679-A681 PolarHBondContact O-N 3.18Å; F679-T682 PolarHBondContact O-N 2.89Å; F679-T682 PolarHBondContact O-OG1 2.92Å; F679-L683 PolarHBondContact O-N 2.83Å; F679-L683 VanDerWaalsContact O-N 3.09Å
680T67.4Low79.6Confident1 Ų146.9 Ų46.91%0.00627%0.267CS..Iπ-helixtrans-52.3-44.9178.5-57.90000111.4L674 V675 D677 T682 R685L674-T680 WeakPolarHBondContact O-CB 3.19Å; L674-T680 WeakPolarHBondContact O-CG2 3.34Å; L674-T680 PolarHBondContact O-OG1 2.86Å; V675-T680 VanDerWaalsContact C-OG1 3.23Å; V675-T680 PolarHBondContact O-OG1 2.84Å; V675-T680 VanDerWaalsContact O-OG1 3.05Å; D677-T680 PolarHBondContact N-OG1 2.9Å; D677-T680 WeakPolarHBondContact O-CB 3.3Å; D677-T680 PolarHBondContact O-N 2.61Å; D677-T680 PolarHBondContact O-OG1 3.05Å; T680-T682 PolarHBondContact O-N 3.15Å; T680-T682 VanDerWaalsContact O-N 3.12Å; T680-R685 HydrophobicContact CG2-CB 4.34Å; T680-R685 VanDerWaalsContact O-CB 3.32Å; T680-R685 WeakPolarHBondContact O-CB 3.44Å; T680-R685 PolarHBondContact O-N 3.47Å
681A59.8Low79.6Confident75 Ų7546.1 Ų46.162%0.6226%0.263SS*.Iπ-helixtrans-63.2-21.5-173.700000114.4F679F679-A681 PolarHBondContact O-N 3.18Å
682T60.5Low79.6Confident110 Ų11046.2 Ų46.268%0.67526%0.264SS*.Iπ-helixtrans-112.5-33.9-174.846.10000114.5F679 T680F679-T682 PolarHBondContact O-N 2.89Å; F679-T682 PolarHBondContact O-OG1 2.92Å; T680-T682 PolarHBondContact O-N 3.15Å; T680-T682 VanDerWaalsContact O-N 3.12Å
683L71.1Confident79.6Confident86 Ų8647.9 Ų47.945%0.4527%0.269SS..Iπ-helixtrans-132.1-40.5-167.9-71.9169.5000114.6F679 P686F679-L683 PolarHBondContact O-N 2.83Å; F679-L683 VanDerWaalsContact O-N 3.09Å; L683-P686 WeakPolarHBondContact O-CD 3.47Å
684L80.1Confident79.6Confident22 Ų2244.1 Ų44.112%0.11526%0.257CS..Iπ-helixtrans-92.5-10.3-167.9-59173.2000114.4L604 L674 D677 K687 A688L604-L684 HydrophobicContact CD1-CD2 4.31Å; L674-L684 HydrophobicContact CD2-CB 4.27Å; L674-L684 HydrophobicContact CD2-CD1 4.33Å; L674-L684 HydrophobicContact CD2-CD2 4.29Å; D677-L684 HydrophobicContact CB-CD1 3.81Å; L684-K687 PolarHBondContact O-N 2.62Å; L684-A688 PolarHBondContact O-N 3.45Å
685R80.2Confident79.7Confident43 Ų4344.1 Ų44.116%0.16226%0.256CS..Hα-helixtrans-58.8-44.7-177.8-160.3161.2-82.3-167.6-10.5113.9T680 K687 A688 I689 S766 F767 E770T680-R685 HydrophobicContact CG2-CB 4.34Å; T680-R685 VanDerWaalsContact O-CB 3.32Å; T680-R685 WeakPolarHBondContact O-CB 3.44Å; T680-R685 PolarHBondContact O-N 3.47Å; R685-K687 VanDerWaalsContact C-N 3.32Å; R685-K687 PolarHBondContact O-N 3.34Å; R685-A688 PolarHBondContact O-N 3.18Å; R685-I689 HydrophobicContact CG-CD1 4.36Å; R685-I689 WeakPolarHBondContact O-CG1 3.4Å; R685-I689 PolarHBondContact O-N 3.11Å; R685-S766 PolarHBondContact NH1-OG 3.09Å; R685-S766 PolarHBondContact NH2-OG 2.9Å; R685-F767 HydrophobicContact CG-CD2 4.43Å; R685-E770 VanDerWaalsContact CD-OE2 3.28Å; R685-E770 WeakPolarHBondContact CD-OE2 3.48Å
686P84.2Confident79.8Confident83 Ų8345.8 Ų45.854%0.53926%0.263SS..Hα-helixtrans-61.6-39178.4-22.534.4000112.8L683 I689 A690L683-P686 WeakPolarHBondContact O-CD 3.47Å; P686-I689 PolarHBondContact O-N 3.17Å; P686-A690 WeakPolarHBondContact O-CB 3.45Å; P686-A690 PolarHBondContact O-N 3.39Å
687K85.5Confident80Confident29 Ų2952 Ų5213%0.12628%0.278CS..Hα-helixtrans-65.1-42177.9-173.7164.4-178.8158.40112.1L604 N646 L674 L684 R685 I689 A690 Y691L604-K687 HydrophobicContact CD1-CD 4.22Å; L604-K687 HydrophobicContact CD2-CD 3.54Å; L604-K687 HydrophobicContact CG-CD 4.48Å; N646-K687 PolarHBondContact O-NZ 3.11Å; L674-K687 HydrophobicContact CD1-CB 4.45Å; L674-K687 HydrophobicContact CD1-CD 4.48Å; L674-K687 HydrophobicContact CD1-CG 3.98Å; L684-K687 PolarHBondContact O-N 2.62Å; R685-K687 VanDerWaalsContact C-N 3.32Å; R685-K687 PolarHBondContact O-N 3.34Å; K687-I689 VanDerWaalsContact C-N 3.35Å; K687-A690 PolarHBondContact O-N 3.42Å; K687-Y691 VanDerWaalsContact CE-CZ 3.43Å; K687-Y691 WeakPolarHBondContact CE-OH 3.24Å; K687-Y691 HydrophobicContact CG-CE1 4.34Å; K687-Y691 HydrophobicContact CG-CE2 4.27Å; K687-Y691 PolarHBondContact NZ-OH 2.98Å; K687-Y691 PolarHBondContact O-N 3.5Å
688A86.9Confident80.2Confident0 Ų054.2 Ų54.20%029%0.285CS..Hα-helixtrans-62.5-41.2174.900000112.2L674 V675 L684 R685 Y691 L692 F767L674-A688 HydrophobicContact CB-CB 3.92Å; L674-A688 HydrophobicContact CD1-CB 4.36Å; V675-A688 HydrophobicContact CG2-CB 3.85Å; L684-A688 PolarHBondContact O-N 3.45Å; R685-A688 PolarHBondContact O-N 3.18Å; A688-Y691 PolarHBondContact O-N 3.44Å; A688-L692 PolarHBondContact O-N 3.43Å; A688-L692 VanDerWaalsContact O-N 3.08Å; A688-F767 HydrophobicContact CB-CD2 4.5Å; A688-F767 HydrophobicContact CB-CE2 3.65Å; A688-F767 HydrophobicContact CB-CZ 4.05Å
689I85.8Confident80.8Confident18 Ų1848.9 Ų48.99%0.09225%0.25CS..Hα-helixtrans-64.4-43.2175.5-65.9173.1000110.7R685 P686 K687 Y691 L692 F693 F767 E770 T771R685-I689 HydrophobicContact CG-CD1 4.36Å; R685-I689 WeakPolarHBondContact O-CG1 3.4Å; R685-I689 PolarHBondContact O-N 3.11Å; P686-I689 PolarHBondContact O-N 3.17Å; K687-I689 VanDerWaalsContact C-N 3.35Å; I689-Y691 VanDerWaalsContact C-N 3.33Å; I689-Y691 PolarHBondContact O-N 3.36Å; I689-L692 PolarHBondContact O-N 3.08Å; I689-F693 HydrophobicContact CG2-CD2 3.92Å; I689-F693 HydrophobicContact CG2-CE2 4.27Å; I689-F693 PolarHBondContact O-N 3.48Å; I689-F767 HydrophobicContact CG1-CD2 4.39Å; I689-F767 HydrophobicContact CG1-CE2 3.69Å; I689-F767 HydrophobicContact CG1-CZ 4.48Å; I689-E770 HydrophobicContact CD1-CG 4.33Å; I689-E770 WeakPolarHBondContact CD1-OE1 3.45Å; I689-T771 HydrophobicContact CG1-CG2 4.45Å
690A86.8Confident81.4Confident43 Ų4347.6 Ų47.636%0.35525%0.245SC..Hα-helixtrans-60.3-41.6177.900000112.3P686 K687 F693 A694P686-A690 WeakPolarHBondContact O-CB 3.45Å; P686-A690 PolarHBondContact O-N 3.39Å; K687-A690 PolarHBondContact O-N 3.42Å; A690-F693 PolarHBondContact O-N 3.32Å; A690-A694 WeakPolarHBondContact O-CB 3.46Å; A690-A694 PolarHBondContact O-N 3.37Å
691Y89.1Confident81.2Confident4 Ų449.7 Ų49.72%0.01626%0.259CS..Hα-helixtrans-64.3-41.9174.4-72.1-5000112.4N646 S647 V648 L667 E670 I671 L674 K687 A688 I689 F693 A694 Y695N646-Y691 PolarHBondContact O-OH 2.98Å; S647-Y691 PolarHBondContact N-OH 3.49Å; V648-Y691 HydrophobicContact CG2-CD1 3.6Å; V648-Y691 HydrophobicContact CG2-CE1 3.78Å; L667-Y691 HydrophobicContact CD1-CD1 4.45Å; L667-Y691 HydrophobicContact CD1-CD2 4.17Å; L667-Y691 HydrophobicContact CD1-CG 3.96Å; E670-Y691 HydrophobicContact CG-CD2 4.13Å; E670-Y691 HydrophobicContact CG-CE2 3.63Å; I671-Y691 HydrophobicContact CG1-CD2 4.41Å; L674-Y691 HydrophobicContact CD1-CD2 3.62Å; L674-Y691 HydrophobicContact CD1-CE2 3.57Å; K687-Y691 VanDerWaalsContact CE-CZ 3.43Å; K687-Y691 WeakPolarHBondContact CE-OH 3.24Å; K687-Y691 HydrophobicContact CG-CE1 4.34Å; K687-Y691 HydrophobicContact CG-CE2 4.27Å; K687-Y691 PolarHBondContact NZ-OH 2.98Å; K687-Y691 PolarHBondContact O-N 3.5Å; A688-Y691 PolarHBondContact O-N 3.44Å; I689-Y691 VanDerWaalsContact C-N 3.33Å; I689-Y691 PolarHBondContact O-N 3.36Å; Y691-F693 VanDerWaalsContact C-N 3.34Å; Y691-F693 PolarHBondContact O-N 3.21Å; Y691-A694 PolarHBondContact O-N 3.34Å; Y691-Y695 WeakPolarHBondContact O-CB 3.47Å; Y691-Y695 PolarHBondContact O-N 3.38Å
692L88.8Confident81Confident2 Ų249.5 Ų49.51%0.0125%0.253CS..Hα-helixtrans-64.9-39.2175.8-165.669.4000111.9I671 A688 I689 Y695 R696 Y733 F736 I737 F767 T771 F776I671-L692 HydrophobicContact CD1-CB 4.34Å; I671-L692 HydrophobicContact CD1-CD1 4.1Å; A688-L692 PolarHBondContact O-N 3.43Å; A688-L692 VanDerWaalsContact O-N 3.08Å; I689-L692 PolarHBondContact O-N 3.08Å; L692-Y695 PolarHBondContact O-N 2.96Å; L692-R696 PolarHBondContact O-N 3.49Å; L692-Y733 HydrophobicContact CD1-CE2 4.18Å; L692-F736 HydrophobicContact CD1-CD1 4.43Å; L692-F736 HydrophobicContact CD1-CE1 3.95Å; L692-I737 HydrophobicContact CD1-CD1 4.19Å; L692-F767 HydrophobicContact CD2-CE1 4.33Å; L692-F767 HydrophobicContact CD2-CZ 4.29Å; L692-T771 HydrophobicContact CD2-CG2 3.61Å; L692-F776 HydrophobicContact CB-CE1 4.17Å; L692-F776 HydrophobicContact CB-CZ 4.44Å; L692-F776 HydrophobicContact CD2-CB 4.44Å; L692-F776 HydrophobicContact CD2-CD1 3.71Å; L692-F776 HydrophobicContact CD2-CD2 4.44Å; L692-F776 HydrophobicContact CD2-CE1 3.91Å; L692-F776 HydrophobicContact CD2-CG 3.96Å; L692-F776 HydrophobicContact CD2-CZ 4.31Å; L692-F776 HydrophobicContact CG-CD1 3.81Å; L692-F776 HydrophobicContact CG-CE1 3.7Å; L692-F776 HydrophobicContact CG-CZ 4.33Å
693F87.4Confident80.2Confident101 Ų10155.5 Ų55.544%0.44326%0.264SS..Hα-helixtrans-61.8-47.8173.7-109-65000111.7I689 A690 Y691 Y695 R696 R697 F776I689-F693 HydrophobicContact CG2-CD2 3.92Å; I689-F693 HydrophobicContact CG2-CE2 4.27Å; I689-F693 PolarHBondContact O-N 3.48Å; A690-F693 PolarHBondContact O-N 3.32Å; Y691-F693 VanDerWaalsContact C-N 3.34Å; Y691-F693 PolarHBondContact O-N 3.21Å; F693-Y695 VanDerWaalsContact C-N 3.3Å; F693-Y695 PolarHBondContact O-N 3.04Å; F693-R696 PolarHBondContact O-N 2.87Å; F693-R697 VanDerWaalsContact O-CB 3.24Å; F693-R697 WeakPolarHBondContact O-CB 3.4Å; F693-R697 PolarHBondContact O-N 3.42Å; F693-F776 HydrophobicContact CB-CZ 4.11Å; F693-F776 HydrophobicContact CD1-CE1 4.42Å; F693-F776 AromaticContact CD1-CZ 3.84Å; F693-F776 HydrophobicContact CD1-CZ 3.84Å; F693-F776 HydrophobicContact CD2-CE1 4.46Å; F693-F776 AromaticContact CD2-CE2 3.79Å; F693-F776 HydrophobicContact CD2-CE2 3.79Å; F693-F776 AromaticContact CD2-CZ 3.31Å; F693-F776 HydrophobicContact CD2-CZ 3.31Å; F693-F776 HydrophobicContact CE1-CE2 4.39Å; F693-F776 AromaticContact CE1-CZ 3.98Å; F693-F776 HydrophobicContact CE1-CZ 3.98Å; F693-F776 AromaticContact CE2-CE2 3.45Å; F693-F776 HydrophobicContact CE2-CE2 3.45Å; F693-F776 VanDerWaalsContact CE2-CE2 3.45Å; F693-F776 AromaticContact CE2-CZ 3.45Å; F693-F776 HydrophobicContact CE2-CZ 3.45Å; F693-F776 VanDerWaalsContact CE2-CZ 3.45Å; F693-F776 HydrophobicContact CG-CE1 4.27Å; F693-F776 HydrophobicContact CG-CE2 4.35Å; F693-F776 AromaticContact CG-CZ 3.49Å; F693-F776 HydrophobicContact CG-CZ 3.49Å; F693-F776 VanDerWaalsContact CG-CZ 3.49Å; F693-F776 AromaticContact CZ-CE2 3.78Å; F693-F776 HydrophobicContact CZ-CE2 3.78Å; F693-F776 AromaticContact CZ-CZ 3.78Å; F693-F776 HydrophobicContact CZ-CZ 3.78Å
694A86.8Confident78.7Confident9 Ų959.2 Ų59.27%0.07428%0.279CS..Hα-helixtrans-59.1-44.1176.500000111.2V648 A690 Y691 R697 R698V648-A694 HydrophobicContact CG1-CB 3.53Å; V648-A694 HydrophobicContact CG2-CB 4.21Å; A690-A694 WeakPolarHBondContact O-CB 3.46Å; A690-A694 PolarHBondContact O-N 3.37Å; Y691-A694 PolarHBondContact O-N 3.34Å; A694-R697 PolarHBondContact O-N 2.83Å; A694-R698 PolarHBondContact O-N 3.34Å
695Y89.8Confident76.9Confident0 Ų063.8 Ų63.80%030%0.302CS..Hα-helixtrans-59.6-50.9177.3-159.7176.8000111.7F651 C664 L667 E668 Y691 L692 F693 R697 R698 A699 I729 A732 Y733F651-Y695 HydrophobicContact CZ-CD2 4.08Å; C664-Y695 HydrophobicContact CB-CE2 4.34Å; C664-Y695 WeakPolarHBondContact CB-OH 3.26Å; L667-Y695 HydrophobicContact CD2-CD1 3.94Å; L667-Y695 HydrophobicContact CD2-CD2 4.38Å; L667-Y695 HydrophobicContact CD2-CG 3.72Å; E668-Y695 HydrophobicContact CG-CE1 3.69Å; E668-Y695 PolarHBondContact OE1-OH 3.37Å; E668-Y695 VanDerWaalsContact OE1-OH 3.05Å; Y691-Y695 WeakPolarHBondContact O-CB 3.47Å; Y691-Y695 PolarHBondContact O-N 3.38Å; L692-Y695 PolarHBondContact O-N 2.96Å; F693-Y695 VanDerWaalsContact C-N 3.3Å; F693-Y695 PolarHBondContact O-N 3.04Å; Y695-R697 PolarHBondContact O-N 3.46Å; Y695-R698 PolarHBondContact O-N 3.29Å; Y695-A699 PolarHBondContact O-N 3.44Å; Y695-A699 VanDerWaalsContact O-N 3.07Å; Y695-I729 HydrophobicContact CD2-CG2 3.95Å; Y695-I729 HydrophobicContact CE2-CG2 3.69Å; Y695-A732 WeakPolarHBondContact OH-CB 3.39Å; Y695-Y733 HydrophobicContact CD1-CD2 4.08Å; Y695-Y733 HydrophobicContact CD2-CD2 4.42Å; Y695-Y733 HydrophobicContact CE1-CD2 4.46Å; Y695-Y733 HydrophobicContact CG-CD2 4.05Å; Y695-Y733 PolarHBondContact OH-N 2.98Å
696R87.8Confident75Confident36 Ų3666.6 Ų66.614%0.13632%0.324CS..Hα-helixtrans-63.1-42.4178.9-173.2-176.9-178.884.31.3111.9L692 F693 R698 A699 Q700 Y733 F776 G777 L779L692-R696 PolarHBondContact O-N 3.49Å; F693-R696 PolarHBondContact O-N 2.87Å; R696-R698 VanDerWaalsContact C-N 3.32Å; R696-R698 PolarHBondContact O-N 3.07Å; R696-A699 WeakPolarHBondContact O-CB 3.48Å; R696-A699 PolarHBondContact O-N 3.36Å; R696-Q700 PolarHBondContact O-N 3Å; R696-Q700 VanDerWaalsContact O-N 3.17Å; R696-Y733 HydrophobicContact CB-CE2 3.9Å; R696-Y733 HydrophobicContact CG-CE1 4.43Å; R696-Y733 HydrophobicContact CG-CE2 4.39Å; R696-Y733 PolarHBondContact NH1-OH 3.15Å; R696-F776 HydrophobicContact CB-CD1 4.36Å; R696-F776 HydrophobicContact CB-CE1 4.05Å; R696-G777 PolarHBondContact NH1-O 3.41Å; R696-L779 HydrophobicContact CG-CD2 4.34Å
697R86Confident72.7Confident199 Ų19969.2 Ų69.275%0.75133%0.333SS*.Hα-helixtrans-61.6-41.2179.6-174-177.8179.7-173.90.3111.1F693 A694 Y695 Q700F693-R697 VanDerWaalsContact O-CB 3.24Å; F693-R697 WeakPolarHBondContact O-CB 3.4Å; F693-R697 PolarHBondContact O-N 3.42Å; A694-R697 PolarHBondContact O-N 2.83Å; Y695-R697 PolarHBondContact O-N 3.46Å; R697-Q700 PolarHBondContact O-N 2.82Å; R697-Q700 VanDerWaalsContact O-O 3.04Å
698R84.1Confident70.5Confident71 Ų7174.7 Ų74.727%0.26836%0.364SS..Hα-helixtrans-75.5-27179.5-147.961.8167114.3-0.4113.5F651 E652 I655 A694 Y695 R696 Q700 H726 I729F651-R698 HydrophobicContact CE1-CB 4.25Å; E652-R698 WeakPolarHBondContact OE1-CD 3.49Å; E652-R698 IonicContact OE1-NE 3.01Å; E652-R698 WeakPolarHBondContact OE2-CD 3.36Å; E652-R698 IonicContact OE2-CZ 2.89Å; E652-R698 IonicContact OE2-NE 3.69Å; E652-R698 PolarHBondContact OE2-NE 3.36Å; E652-R698 IonicContact OE2-NH2 3.68Å; I655-R698 HydrophobicContact CG2-CG 4.45Å; A694-R698 PolarHBondContact O-N 3.34Å; Y695-R698 PolarHBondContact O-N 3.29Å; R696-R698 VanDerWaalsContact C-N 3.32Å; R696-R698 PolarHBondContact O-N 3.07Å; R698-Q700 VanDerWaalsContact C-N 3.31Å; R698-H726 PolarHBondContact O-CE1 3.08Å; R698-H726 PolarHBondContact O-ND1 3.42Å; R698-I729 HydrophobicContact CG-CD1 4.25Å
699A84.1Confident68.1Low0 Ų079.2 Ų79.20%040%0.396CS..Hα-helixtrans-65.2-35170.100000112.1Y695 R696 I729 A730 L779 I784Y695-A699 PolarHBondContact O-N 3.44Å; Y695-A699 VanDerWaalsContact O-N 3.07Å; R696-A699 WeakPolarHBondContact O-CB 3.48Å; R696-A699 PolarHBondContact O-N 3.36Å; A699-I729 HydrophobicContact CB-CG2 3.94Å; A699-A730 HydrophobicContact CB-CB 3.89Å; A699-L779 HydrophobicContact CB-CD1 3.36Å; A699-I784 WeakPolarHBondContact O-CD1 3.2Å
700Q77.6Confident65.6Low67 Ų6785.3 Ų85.331%0.31343%0.428SS..SBendtrans-82.4128.3178.5-68.8-177.5-18.500112R696 R697 R698 S702 L779R696-Q700 PolarHBondContact O-N 3Å; R696-Q700 VanDerWaalsContact O-N 3.17Å; R697-Q700 PolarHBondContact O-N 2.82Å; R697-Q700 VanDerWaalsContact O-O 3.04Å; R698-Q700 VanDerWaalsContact C-N 3.31Å; Q700-S702 PolarHBondContact O-N 3.32Å; Q700-L779 HydrophobicContact CG-CD2 3.66Å
701P63.8Low63.1Low46 Ų4692.4 Ų92.430%0.29945%0.451SS..PPolyproline II helixtrans-66.4131.8172.525.1-30.3000109.9R703P701-R703 PolarHBondContact O-N 2.98Å; P701-R703 VanDerWaalsContact O-N 3.16Å
702S54.5Low60.2Low71 Ų7199 Ų9950%0.49749%0.487SS..PPolyproline II helixtrans-53.3124173.4-62.10000109.7Q700 E704 I705Q700-S702 PolarHBondContact O-N 3.32Å; S702-E704 PolarHBondContact O-N 3.41Å; S702-I705 PolarHBondContact O-N 3.12Å; S702-I705 VanDerWaalsContact O-N 3.08Å
703R43.8Very low57.6Low236 Ų236105.4 Ų105.489%0.89152%0.521SS*.THydrogen-bonded Turntrans-54.1-10.2179.5-107.5179.6172.3178.5-1.1114.6P701P701-R703 PolarHBondContact O-N 2.98Å; P701-R703 VanDerWaalsContact O-N 3.16Å
704E40.5Very low54.8Low163 Ų163108.8 Ų108.876%0.76254%0.538SS*.THydrogen-bonded Turntrans-79-19.8177.3-65.6-175.6162.500114.3S702S702-E704 PolarHBondContact O-N 3.41Å
705I41.4Very low52.2Low119 Ų119116.5 Ų116.561%0.6158%0.576SS**SBendtrans-85.3-19.9-176.1-60.8175.7000112.4S702S702-I705 PolarHBondContact O-N 3.12Å; S702-I705 VanDerWaalsContact O-N 3.08Å
706V40.1Very low49.3Very low101 Ų101123 Ų12361%0.61261%0.611SS**SBendtrans-86.5-17.9-175.3-1790000113.2
707N36.4Very low46.3Very low138 Ų138127.6 Ų127.674%0.73864%0.638SS**SBendtrans-96.2-6.6-176.9-77.8-17.8000115.5
708N38.1Very low43.6Very low144 Ų144124.7 Ų124.777%0.7764%0.643SS**SBendtrans-103.33-176.3-83.6-17.3000115.4N710N708-N710 VanDerWaalsContact C-N 3.28Å; N708-N710 PolarHBondContact O-N 3.4Å
709S36.6Very low41Very low96 Ų96127.6 Ų127.667%0.67167%0.668SS**SBendtrans-81.42.8-18049.20000114.9
710N33.4Very low38.3Very low146 Ų146133 Ų13378%0.78171%0.705SS**SBendtrans-117.169.6177.2-83.1-27.3000112N708N708-N710 VanDerWaalsContact C-N 3.28Å; N708-N710 PolarHBondContact O-N 3.4Å
711K34Very low36.7Very low191 Ų191135.3 Ų135.383%0.8372%0.72SS**SBendtrans178.8110.9149.7-99.7155.9-171.81800111.6
712N30.2Very low36.1Very low143 Ų143136.9 Ų136.977%0.76573%0.731SS**  trans48.3124.6141.3-67.2-9.1000121.5
713N32.2Very low36.1Very low137 Ų137137.6 Ų137.673%0.73374%0.736SS**  trans90.1109.9140.3-65.4-12.8000118.5
714H29.8Very low37Very low172 Ų172130 Ų13080%0.79672%0.716SS**  trans39.4105136.5-73.5-55.4000116.8
715I32.3Very low38.6Very low170 Ų170123.6 Ų123.687%0.87269%0.689SS**  -168.3131114.7-88.9145.4000106.5
716N27.6Very low40.4Very low136 Ų136119.5 Ų119.573%0.72767%0.667SS**  trans-58.5136.9172.8-61.2-34.4000109.2
717D26.8Very low42.5Very low134 Ų134115.9 Ų115.972%0.71765%0.645SS**  167.6118.5128.3-81.5-19.5000111.4T719D717-T719 PolarHBondContact O-N 2.99Å
718T27.6Very low44.8Very low138 Ų138114.7 Ų114.785%0.84764%0.635SS**  trans40.573.7149.743.20000118.8
719T30.2Very low47.2Very low131 Ų131107.9 Ų107.980%0.80460%0.598SS**  trans-146.685.1162.338.80000110.4D717D717-T719 PolarHBondContact O-N 2.99Å
720C27.9Very low49.6Very low114 Ų114103.3 Ų103.377%0.7757%0.566SS**  trans-135.116.7177.2-99.20000115.1
721N43.1Very low52.3Low116 Ų116102.5 Ų102.562%0.6255%0.552SS**SBendtrans-111.5-2.6179.5-73.33.4000115T724N721-T724 PolarHBondContact O-OG1 3.37Å
722S51.8Low55Low78 Ų7894.7 Ų94.755%0.54552%0.523SS..Hα-helixtrans-78.8-34.6-175.571.40000113.4C725 H726S722-C725 PolarHBondContact O-N 2.83Å; S722-H726 PolarHBondContact O-CD2 3.34Å; S722-H726 PolarHBondContact O-N 2.96Å
723S55.1Low57.9Low86 Ų8687.9 Ų87.960%0.60149%0.487SS*.Hα-helixtrans-68.8-38.3-177.7550000112.8L727S723-L727 PolarHBondContact O-N 3.47Å
724T62.4Low60.7Low77 Ų7781.7 Ų81.747%0.47245%0.454SS..Hα-helixtrans-65.3-40.2176.334.50000112.1N721 H726 L727 E728N721-T724 PolarHBondContact O-OG1 3.37Å; T724-H726 PolarHBondContact O-N 3.44Å; T724-L727 PolarHBondContact O-N 2.92Å; T724-E728 WeakPolarHBondContact O-CG 3.33Å; T724-E728 PolarHBondContact O-N 3.39Å; T724-E728 VanDerWaalsContact O-N 3.17Å
725C72.9Confident63.6Low29 Ų2977.2 Ų77.220%0.19644%0.442CS..Hα-helixtrans-62.2-45.3178.7-173.90000112T660 S722 L727 E728 I729T660-C725 PolarHBondContact OG1-SG 3.05Å; S722-C725 PolarHBondContact O-N 2.83Å; C725-L727 PolarHBondContact O-N 3.19Å; C725-E728 PolarHBondContact O-N 2.89Å; C725-I729 VanDerWaalsContact O-CG1 3.27Å; C725-I729 WeakPolarHBondContact O-CG1 3.32Å; C725-I729 PolarHBondContact O-N 3.32Å; C725-I729 VanDerWaalsContact O-N 3.08Å
726H79.2Confident66.5Low32 Ų3269.6 Ų69.615%0.14840%0.402CS..Hα-helixtrans-62.2-41.4178.7-79-70.1000112.9R698 S722 T724 E728 I729 A730R698-H726 PolarHBondContact O-CE1 3.08Å; R698-H726 PolarHBondContact O-ND1 3.42Å; S722-H726 PolarHBondContact O-CD2 3.34Å; S722-H726 PolarHBondContact O-N 2.96Å; T724-H726 PolarHBondContact O-N 3.44Å; H726-E728 VanDerWaalsContact C-N 3.35Å; H726-E728 PolarHBondContact O-N 3.35Å; H726-I729 PolarHBondContact O-N 2.96Å; H726-A730 VanDerWaalsContact O-CB 3.3Å; H726-A730 WeakPolarHBondContact O-CB 3.45Å; H726-A730 PolarHBondContact O-N 2.8Å
727L84Confident69.5Low25 Ų2563.4 Ų63.413%0.13137%0.369CS..Hα-helixtrans-66.2-37.2179.6-169.866.6000112S723 T724 C725 A730 R731 I784 E786 I787S723-L727 PolarHBondContact O-N 3.47Å; T724-L727 PolarHBondContact O-N 2.92Å; C725-L727 PolarHBondContact O-N 3.19Å; L727-A730 PolarHBondContact O-N 3.12Å; L727-R731 WeakPolarHBondContact O-CB 3.4Å; L727-R731 WeakPolarHBondContact O-CG 3.47Å; L727-R731 PolarHBondContact O-N 3.27Å; L727-I784 HydrophobicContact CD1-CG2 3.81Å; L727-E786 HydrophobicContact CD2-CB 4.38Å; L727-I787 HydrophobicContact CD1-CB 4.36Å
728E85.4Confident72.5Confident114 Ų11461.7 Ų61.753%0.53335%0.353SS..Hα-helixtrans-65.1-47.7175.1-73.9175.9-175.400112.1T724 C725 H726 A730 R731 A732T724-E728 WeakPolarHBondContact O-CG 3.33Å; T724-E728 PolarHBondContact O-N 3.39Å; T724-E728 VanDerWaalsContact O-N 3.17Å; C725-E728 PolarHBondContact O-N 2.89Å; H726-E728 VanDerWaalsContact C-N 3.35Å; H726-E728 PolarHBondContact O-N 3.35Å; E728-A730 VanDerWaalsContact C-N 3.27Å; E728-A730 PolarHBondContact O-N 2.85Å; E728-R731 PolarHBondContact O-N 3.32Å; E728-A732 WeakPolarHBondContact O-CB 3.45Å; E728-A732 PolarHBondContact O-N 2.91Å
729I88Confident75.5Confident1 Ų158.9 Ų58.91%0.00534%0.338CS..Hα-helixtrans-58.4-43.2176.3-63167.4000110.1I655 T660 Y695 R698 A699 C725 H726 A732 Y733I655-I729 HydrophobicContact CD1-CD1 3.88Å; I655-I729 HydrophobicContact CD1-CG1 4.29Å; I655-I729 HydrophobicContact CG2-CD1 4.32Å; T660-I729 HydrophobicContact CG2-CD1 3.77Å; T660-I729 HydrophobicContact CG2-CG1 3.23Å; Y695-I729 HydrophobicContact CD2-CG2 3.95Å; Y695-I729 HydrophobicContact CE2-CG2 3.69Å; R698-I729 HydrophobicContact CG-CD1 4.25Å; A699-I729 HydrophobicContact CB-CG2 3.94Å; C725-I729 VanDerWaalsContact O-CG1 3.27Å; C725-I729 WeakPolarHBondContact O-CG1 3.32Å; C725-I729 PolarHBondContact O-N 3.32Å; C725-I729 VanDerWaalsContact O-N 3.08Å; H726-I729 PolarHBondContact O-N 2.96Å; I729-A732 PolarHBondContact O-N 3.48Å; I729-Y733 WeakPolarHBondContact O-CB 3.28Å; I729-Y733 PolarHBondContact O-N 3.48Å
730A88.6Confident78.3Confident0 Ų053.2 Ų53.20%030%0.302CS..Hα-helixtrans-70.2-37.2-177.800000113.5A699 H726 L727 E728 Y733 N734 L779 I784 I787A699-A730 HydrophobicContact CB-CB 3.89Å; H726-A730 VanDerWaalsContact O-CB 3.3Å; H726-A730 WeakPolarHBondContact O-CB 3.45Å; H726-A730 PolarHBondContact O-N 2.8Å; L727-A730 PolarHBondContact O-N 3.12Å; E728-A730 VanDerWaalsContact C-N 3.27Å; E728-A730 PolarHBondContact O-N 2.85Å; A730-Y733 PolarHBondContact O-N 2.9Å; A730-N734 PolarHBondContact O-N 2.88Å; A730-L779 HydrophobicContact CB-CD1 3.94Å; A730-I784 HydrophobicContact CB-CD1 3.29Å; A730-I787 HydrophobicContact CB-CD1 3.38Å
731R89.2Confident81.2Confident129 Ų12950.2 Ų50.249%0.48728%0.275SS..Hα-helixtrans-64.2-42.1171.3-76.1176.7179.1159.34.1111.5L727 E728 N734 S735 E786 I787L727-R731 WeakPolarHBondContact O-CB 3.4Å; L727-R731 WeakPolarHBondContact O-CG 3.47Å; L727-R731 PolarHBondContact O-N 3.27Å; E728-R731 PolarHBondContact O-N 3.32Å; R731-N734 PolarHBondContact O-N 3.39Å; R731-S735 WeakPolarHBondContact O-CB 3.5Å; R731-S735 PolarHBondContact O-N 2.99Å; R731-E786 PolarHBondContact NH2-O 2.94Å; R731-E786 VanDerWaalsContact NH2-O 3.11Å; R731-I787 HydrophobicContact CG-CG1 4.33Å
732A89.9Confident83.2Confident26 Ų2649.2 Ų49.222%0.21527%0.266CS..Hα-helixtrans-62.4-46.8175.600000111.4C664 Y695 E728 I729 N734 S735 F736C664-A732 HydrophobicContact CB-CB 4.3Å; Y695-A732 WeakPolarHBondContact OH-CB 3.39Å; E728-A732 WeakPolarHBondContact O-CB 3.45Å; E728-A732 PolarHBondContact O-N 2.91Å; I729-A732 PolarHBondContact O-N 3.48Å; A732-N734 PolarHBondContact O-N 3.07Å; A732-S735 WeakPolarHBondContact O-CB 3.4Å; A732-S735 PolarHBondContact O-N 3.31Å; A732-S735 VanDerWaalsContact O-N 3.12Å; A732-F736 PolarHBondContact O-N 2.89Å
733Y91.7Very high84.9Confident0 Ų047.4 Ų47.40%025%0.251CS..Hα-helixtrans-57-49.1175174.2-93.3000112.5L692 Y695 R696 I729 A730 S735 F736 I737 F776 L779L692-Y733 HydrophobicContact CD1-CE2 4.18Å; Y695-Y733 HydrophobicContact CD1-CD2 4.08Å; Y695-Y733 HydrophobicContact CD2-CD2 4.42Å; Y695-Y733 HydrophobicContact CE1-CD2 4.46Å; Y695-Y733 HydrophobicContact CG-CD2 4.05Å; Y695-Y733 PolarHBondContact OH-N 2.98Å; R696-Y733 HydrophobicContact CB-CE2 3.9Å; R696-Y733 HydrophobicContact CG-CE1 4.43Å; R696-Y733 HydrophobicContact CG-CE2 4.39Å; R696-Y733 PolarHBondContact NH1-OH 3.15Å; I729-Y733 WeakPolarHBondContact O-CB 3.28Å; I729-Y733 PolarHBondContact O-N 3.48Å; A730-Y733 PolarHBondContact O-N 2.9Å; Y733-S735 VanDerWaalsContact C-N 3.29Å; Y733-S735 PolarHBondContact O-N 3.01Å; Y733-F736 PolarHBondContact O-N 2.57Å; Y733-I737 HydrophobicContact CD1-CG1 4.39Å; Y733-I737 HydrophobicContact CD2-CG1 4.37Å; Y733-I737 HydrophobicContact CE1-CG1 3.94Å; Y733-I737 HydrophobicContact CE2-CD1 4.19Å; Y733-I737 HydrophobicContact CE2-CG1 3.9Å; Y733-I737 WeakPolarHBondContact O-CG1 3.16Å; Y733-I737 PolarHBondContact O-N 3.17Å; Y733-F776 WeakPolarHBondContact OH-CD1 3.33Å; Y733-L779 HydrophobicContact CD1-CD1 3.53Å; Y733-L779 HydrophobicContact CD1-CG 3.81Å; Y733-L779 HydrophobicContact CE1-CD1 4.09Å; Y733-L779 HydrophobicContact CE1-CG 3.92Å; Y733-L779 HydrophobicContact CG-CD1 4.22Å
734N91.7Very high86.4Confident8 Ų843.3 Ų43.34%0.04322%0.222CC..Hα-helixtrans-61.7-38.1177.1-83.5-2000111.8A730 R731 A732 R738 L778 L779A730-N734 PolarHBondContact O-N 2.88Å; R731-N734 PolarHBondContact O-N 3.39Å; A732-N734 PolarHBondContact O-N 3.07Å; N734-R738 WeakPolarHBondContact O-CB 3.48Å; N734-R738 VanDerWaalsContact O-CG 3.3Å; N734-R738 WeakPolarHBondContact O-CG 3.27Å; N734-R738 PolarHBondContact O-N 2.85Å; N734-L778 HydrophobicContact CB-CD2 4.19Å; N734-L778 WeakPolarHBondContact OD1-CA 3.49Å; N734-L779 PolarHBondContact ND2-O 3.48Å; N734-L779 PolarHBondContact OD1-N 2.9Å
735S91.2Very high87.4Confident77 Ų7742 Ų4254%0.53821%0.211SC..Hα-helixtrans-64.5-44.8175.1-172.80000112R731 A732 Y733 R738 S739R731-S735 WeakPolarHBondContact O-CB 3.5Å; R731-S735 PolarHBondContact O-N 2.99Å; A732-S735 WeakPolarHBondContact O-CB 3.4Å; A732-S735 PolarHBondContact O-N 3.31Å; A732-S735 VanDerWaalsContact O-N 3.12Å; Y733-S735 VanDerWaalsContact C-N 3.29Å; Y733-S735 PolarHBondContact O-N 3.01Å; S735-R738 PolarHBondContact O-N 3.28Å; S735-S739 WeakPolarHBondContact O-CB 3.48Å; S735-S739 PolarHBondContact O-N 3.37Å
736F92.3Very high87.9Confident11 Ų1145.9 Ų45.95%0.04823%0.23CC..Hα-helixtrans-60.4-49178175.5-111.8000111.9E668 I671 I672 L692 A732 Y733 R738 S739 W740E668-F736 HydrophobicContact CB-CD2 3.72Å; E668-F736 HydrophobicContact CB-CE2 3.69Å; E668-F736 HydrophobicContact CB-CG 4.47Å; E668-F736 HydrophobicContact CB-CZ 4.42Å; E668-F736 HydrophobicContact CG-CB 4.07Å; E668-F736 HydrophobicContact CG-CD1 4.39Å; E668-F736 HydrophobicContact CG-CD2 3.42Å; E668-F736 VanDerWaalsContact CG-CD2 3.42Å; E668-F736 HydrophobicContact CG-CE2 3.85Å; E668-F736 HydrophobicContact CG-CG 3.71Å; E668-F736 HydrophobicContact CG-CZ 4.48Å; I671-F736 HydrophobicContact CB-CZ 4.27Å; I671-F736 HydrophobicContact CD1-CE1 4.46Å; I671-F736 HydrophobicContact CG2-CE1 4.38Å; I671-F736 HydrophobicContact CG2-CZ 4.02Å; I672-F736 HydrophobicContact CD1-CE2 3.97Å; I672-F736 HydrophobicContact CG1-CE2 4.01Å; I672-F736 HydrophobicContact CG1-CZ 4.33Å; L692-F736 HydrophobicContact CD1-CD1 4.43Å; L692-F736 HydrophobicContact CD1-CE1 3.95Å; A732-F736 PolarHBondContact O-N 2.89Å; Y733-F736 PolarHBondContact O-N 2.57Å; F736-R738 PolarHBondContact O-N 3.4Å; F736-S739 PolarHBondContact O-N 3.05Å; F736-W740 HydrophobicContact CE1-CE3 4.13Å; F736-W740 HydrophobicContact CE1-CZ3 4.46Å; F736-W740 AromaticContact CE2-CE3 3.98Å; F736-W740 HydrophobicContact CE2-CE3 3.98Å; F736-W740 HydrophobicContact CE2-CZ3 4.27Å; F736-W740 AromaticContact CZ-CE3 3.53Å; F736-W740 HydrophobicContact CZ-CE3 3.53Å; F736-W740 AromaticContact CZ-CZ3 3.66Å; F736-W740 HydrophobicContact CZ-CZ3 3.66Å; F736-W740 WeakPolarHBondContact O-CB 3.32Å; F736-W740 PolarHBondContact O-N 3.08Å
737I90.1Very high88Confident5 Ų550.1 Ų50.13%0.02625%0.245CC..Hα-helixtrans-63.8-39.7178.7-66.3-64000111.4L692 Y733 W740 R741 W768 L778 F797L692-I737 HydrophobicContact CD1-CD1 4.19Å; Y733-I737 HydrophobicContact CD1-CG1 4.39Å; Y733-I737 HydrophobicContact CD2-CG1 4.37Å; Y733-I737 HydrophobicContact CE1-CG1 3.94Å; Y733-I737 HydrophobicContact CE2-CD1 4.19Å; Y733-I737 HydrophobicContact CE2-CG1 3.9Å; Y733-I737 WeakPolarHBondContact O-CG1 3.16Å; Y733-I737 PolarHBondContact O-N 3.17Å; I737-W740 PolarHBondContact O-N 3.16Å; I737-R741 PolarHBondContact O-N 3.17Å; I737-R741 VanDerWaalsContact O-N 3.12Å; I737-W768 HydrophobicContact CG2-CH2 3.87Å; I737-W768 HydrophobicContact CG2-CZ3 4.06Å; I737-L778 HydrophobicContact CG2-CD2 4.28Å; I737-F797 HydrophobicContact CG2-CE1 3.54Å; I737-F797 HydrophobicContact CG2-CZ 3.56Å
738R90.2Very high87.7Confident99 Ų9955.4 Ų55.437%0.37427%0.273SS..Hα-helixtrans-63-46172.8-74.9-175.1-169.6-143.47.2112.2N734 S735 F736 W740 R741 Q742 L778 E793 F797N734-R738 WeakPolarHBondContact O-CB 3.48Å; N734-R738 VanDerWaalsContact O-CG 3.3Å; N734-R738 WeakPolarHBondContact O-CG 3.27Å; N734-R738 PolarHBondContact O-N 2.85Å; S735-R738 PolarHBondContact O-N 3.28Å; F736-R738 PolarHBondContact O-N 3.4Å; R738-W740 VanDerWaalsContact C-N 3.28Å; R738-W740 PolarHBondContact O-N 3.47Å; R738-R741 PolarHBondContact O-N 3.38Å; R738-Q742 PolarHBondContact O-N 3.49Å; R738-L778 HydrophobicContact CG-CD2 3.81Å; R738-E793 IonicContact CZ-OE1 2.77Å; R738-E793 IonicContact NH1-OE1 2.81Å; R738-E793 PolarHBondContact NH1-OE1 3.44Å; R738-E793 VanDerWaalsContact NH2-CD 3.28Å; R738-E793 IonicContact NH2-OE1 3.01Å; R738-E793 PolarHBondContact NH2-OE1 3.5Å; R738-E793 IonicContact NH2-OE2 2.64Å; R738-F797 HydrophobicContact CG-CE2 3.97Å
739S90Very high87.2Confident78 Ų7850.8 Ų50.855%0.54525%0.252SS..Hα-helixtrans-62.3-36.6178.1-172.20000111.8S735 F736 Q742 D743S735-S739 WeakPolarHBondContact O-CB 3.48Å; S735-S739 PolarHBondContact O-N 3.37Å; F736-S739 PolarHBondContact O-N 3.05Å; S739-Q742 PolarHBondContact O-N 2.84Å; S739-D743 PolarHBondContact O-N 2.93Å
740W90.1Very high86.4Confident13 Ų1351.1 Ų51.15%0.04925%0.254CS..Hα-helixtrans-64.3-47.8176.5-164.7-69.8000111.6I671 I672 V675 F736 I737 R738 Q742 D743 L744 K764 F767 W768I671-W740 HydrophobicContact CG2-CH2 4.45Å; I671-W740 HydrophobicContact CG2-CZ3 4.15Å; I672-W740 HydrophobicContact CB-CZ3 4.42Å; I672-W740 HydrophobicContact CG1-CE3 4.19Å; I672-W740 HydrophobicContact CG1-CH2 4.37Å; I672-W740 HydrophobicContact CG1-CZ3 3.54Å; V675-W740 HydrophobicContact CB-CH2 3.91Å; V675-W740 HydrophobicContact CB-CZ2 4.34Å; V675-W740 HydrophobicContact CG1-CH2 3.96Å; V675-W740 HydrophobicContact CG1-CZ2 3.87Å; V675-W740 HydrophobicContact CG2-CH2 3.98Å; V675-W740 HydrophobicContact CG2-CZ2 4.49Å; F736-W740 HydrophobicContact CE1-CE3 4.13Å; F736-W740 HydrophobicContact CE1-CZ3 4.46Å; F736-W740 AromaticContact CE2-CE3 3.98Å; F736-W740 HydrophobicContact CE2-CE3 3.98Å; F736-W740 HydrophobicContact CE2-CZ3 4.27Å; F736-W740 AromaticContact CZ-CE3 3.53Å; F736-W740 HydrophobicContact CZ-CE3 3.53Å; F736-W740 AromaticContact CZ-CZ3 3.66Å; F736-W740 HydrophobicContact CZ-CZ3 3.66Å; F736-W740 WeakPolarHBondContact O-CB 3.32Å; F736-W740 PolarHBondContact O-N 3.08Å; I737-W740 PolarHBondContact O-N 3.16Å; R738-W740 VanDerWaalsContact C-N 3.28Å; R738-W740 PolarHBondContact O-N 3.47Å; W740-Q742 VanDerWaalsContact C-N 3.3Å; W740-Q742 PolarHBondContact O-N 3.43Å; W740-D743 PolarHBondContact O-N 2.79Å; W740-L744 PolarHBondContact O-N 2.78Å; W740-L744 VanDerWaalsContact O-N 3.16Å; W740-K764 HydrophobicContact CZ2-CB 4.13Å; W740-K764 HydrophobicContact CZ2-CG 3.93Å; W740-F767 HydrophobicContact CH2-CD1 4.06Å; W740-F767 HydrophobicContact CH2-CE1 4.25Å; W740-F767 AromaticContact CZ2-CD1 3.69Å; W740-F767 HydrophobicContact CZ2-CD1 3.69Å; W740-F767 HydrophobicContact CZ2-CE1 4.27Å; W740-W768 HydrophobicContact CB-CE3 4.39Å; W740-W768 HydrophobicContact CB-CZ3 4.09Å; W740-W768 AromaticContact CD1-CD2 3.99Å; W740-W768 AromaticContact CD1-CE3 3.29Å; W740-W768 AromaticContact CD1-CZ3 3.85Å; W740-W768 AromaticContact CG-CE3 3.97Å; W740-W768 HydrophobicContact CG-CE3 3.97Å; W740-W768 HydrophobicContact CG-CZ3 4.15Å; W740-W768 AromaticContact NE1-CE3 3.9Å
741R87.6Confident84.9Confident51 Ų5152.1 Ų52.119%0.19226%0.264CS..Hα-helixtrans-60.4-41.2175.5-170.1179-177.5-110.111.8111.4I737 R738 L744 I745 L750 W768 F797I737-R741 PolarHBondContact O-N 3.17Å; I737-R741 VanDerWaalsContact O-N 3.12Å; R738-R741 PolarHBondContact O-N 3.38Å; R741-L744 PolarHBondContact O-N 2.69Å; R741-I745 HydrophobicContact CG-CD1 4.26Å; R741-I745 WeakPolarHBondContact O-CG1 3.28Å; R741-I745 PolarHBondContact O-N 2.97Å; R741-L750 HydrophobicContact CG-CD1 3.95Å; R741-W768 HydrophobicContact CB-CH2 3.79Å; R741-W768 HydrophobicContact CB-CZ2 3.73Å; R741-W768 HydrophobicContact CG-CH2 4.41Å; R741-W768 HydrophobicContact CG-CZ2 3.86Å; R741-F797 HydrophobicContact CB-CE2 3.91Å; R741-F797 HydrophobicContact CB-CZ 3.78Å; R741-F797 HydrophobicContact CG-CE2 4.22Å; R741-F797 HydrophobicContact CG-CZ 4.28Å; R741-F797 PolarHBondContact NE-O 3.37Å; R741-F797 VanDerWaalsContact NE-O 3.11Å; R741-F797 PolarHBondContact NH2-O 3.05Å
742Q86.6Confident83Confident94 Ų9451.6 Ų51.644%0.43928%0.281SS..Hα-helixtrans-64-42.6178.1-168.761.448.500112.1R738 S739 W740 L744 I745 D746R738-Q742 PolarHBondContact O-N 3.49Å; S739-Q742 PolarHBondContact O-N 2.84Å; W740-Q742 VanDerWaalsContact C-N 3.3Å; W740-Q742 PolarHBondContact O-N 3.43Å; Q742-L744 VanDerWaalsContact C-N 3.28Å; Q742-L744 PolarHBondContact O-N 3.06Å; Q742-I745 PolarHBondContact O-N 3.01Å; Q742-I745 VanDerWaalsContact O-N 3.1Å; Q742-D746 PolarHBondContact NE2-OD1 2.63Å; Q742-D746 WeakPolarHBondContact O-CB 3.43Å; Q742-D746 PolarHBondContact O-N 3.38Å
743D86.4Confident80.8Confident41 Ų4153.5 Ų53.522%0.21929%0.292CS..Hα-helixtrans-60.7-36.2175.1174.767000112.1S739 W740 R747 K764S739-D743 PolarHBondContact O-N 2.93Å; W740-D743 PolarHBondContact O-N 2.79Å; D743-R747 WeakPolarHBondContact O-CB 3.01Å; D743-R747 WeakPolarHBondContact O-CD 3.45Å; D743-R747 WeakPolarHBondContact O-CG 3.48Å; D743-R747 PolarHBondContact O-N 3.11Å; D743-R747 IonicContact OD1-CZ 3.84Å; D743-R747 IonicContact OD1-NE 3.84Å; D743-R747 PolarHBondContact OD1-NE 3.33Å; D743-R747 IonicContact OD1-NH2 3.7Å; D743-R747 PolarHBondContact OD1-NH2 3.17Å; D743-R747 IonicContact OD2-CZ 2.97Å; D743-R747 IonicContact OD2-NE 2.88Å; D743-R747 PolarHBondContact OD2-NE 2.96Å; D743-R747 IonicContact OD2-NH2 2.75Å; D743-K764 IonicContact OD1-NZ 2.78Å; D743-K764 VanDerWaalsContact OD2-CD 3.31Å; D743-K764 WeakPolarHBondContact OD2-CD 3.37Å; D743-K764 IonicContact OD2-NZ 3.16Å; D743-K764 PolarHBondContact OD2-NZ 2.83Å
744L86.2Confident78.8Confident0 Ų056.8 Ų56.80%031%0.312CS..Hα-helixtrans-68.7-35.7174.2-68.6176.9000112.9W740 R741 Q742 N748 L749 L750 K764 L765 W768W740-L744 PolarHBondContact O-N 2.78Å; W740-L744 VanDerWaalsContact O-N 3.16Å; R741-L744 PolarHBondContact O-N 2.69Å; Q742-L744 VanDerWaalsContact C-N 3.28Å; Q742-L744 PolarHBondContact O-N 3.06Å; L744-N748 PolarHBondContact O-N 3.49Å; L744-L749 HydrophobicContact CD2-CB 4.29Å; L744-L749 HydrophobicContact CD2-CD1 3.76Å; L744-L749 WeakPolarHBondContact O-CB 3.38Å; L744-L749 PolarHBondContact O-N 3.12Å; L744-L750 HydrophobicContact CB-CD1 3.55Å; L744-L750 HydrophobicContact CB-CG 3.95Å; L744-L750 HydrophobicContact CD1-CD1 3.97Å; L744-L750 HydrophobicContact CD1-CG 4.49Å; L744-L750 HydrophobicContact CG-CD1 4.44Å; L744-L750 PolarHBondContact O-N 3.21Å; L744-K764 HydrophobicContact CD2-CB 3.89Å; L744-L765 HydrophobicContact CD2-CB 4.25Å; L744-W768 HydrophobicContact CD1-CB 3.55Å; L744-W768 HydrophobicContact CD1-CD2 3.79Å; L744-W768 HydrophobicContact CD1-CE3 4.47Å; L744-W768 HydrophobicContact CD1-CG 3.34Å
745I83.7Confident76.7Confident48 Ų4864.9 Ų64.925%0.24636%0.355CS..Hα-helixtrans-68-47.5173.8-68167.7000109.9R741 Q742 R747 N748 L750R741-I745 HydrophobicContact CG-CD1 4.26Å; R741-I745 WeakPolarHBondContact O-CG1 3.28Å; R741-I745 PolarHBondContact O-N 2.97Å; Q742-I745 PolarHBondContact O-N 3.01Å; Q742-I745 VanDerWaalsContact O-N 3.1Å; I745-R747 PolarHBondContact O-N 3.16Å; I745-N748 WeakPolarHBondContact O-CA 3.47Å; I745-N748 PolarHBondContact O-N 2.93Å; I745-L750 HydrophobicContact CG1-CB 4.02Å; I745-L750 HydrophobicContact CG1-CD1 4.23Å
746D83.9Confident74.6Confident112 Ų11263.3 Ų63.360%0.59934%0.344SS*.Hα-helixtrans-62.7-29.9-179-66.4-11000111.9Q742 N748Q742-D746 PolarHBondContact NE2-OD1 2.63Å; Q742-D746 WeakPolarHBondContact O-CB 3.43Å; Q742-D746 PolarHBondContact O-N 3.38Å; D746-N748 VanDerWaalsContact C-N 3.29Å; D746-N748 PolarHBondContact O-N 3.42Å
747R81.5Confident72.4Confident120 Ų12071.4 Ų71.445%0.45338%0.382SS..THydrogen-bonded Turntrans-81.81.7173.2-69.1172.8-175.1-135-5.3114.3D743 I745 L749D743-R747 WeakPolarHBondContact O-CB 3.01Å; D743-R747 WeakPolarHBondContact O-CD 3.45Å; D743-R747 WeakPolarHBondContact O-CG 3.48Å; D743-R747 PolarHBondContact O-N 3.11Å; D743-R747 IonicContact OD1-CZ 3.84Å; D743-R747 IonicContact OD1-NE 3.84Å; D743-R747 PolarHBondContact OD1-NE 3.33Å; D743-R747 IonicContact OD1-NH2 3.7Å; D743-R747 PolarHBondContact OD1-NH2 3.17Å; D743-R747 IonicContact OD2-CZ 2.97Å; D743-R747 IonicContact OD2-NE 2.88Å; D743-R747 PolarHBondContact OD2-NE 2.96Å; D743-R747 IonicContact OD2-NH2 2.75Å; I745-R747 PolarHBondContact O-N 3.16Å; R747-L749 HydrophobicContact CB-CD1 3.81Å; R747-L749 HydrophobicContact CB-CG 3.91Å; R747-L749 PolarHBondContact O-N 3.4Å
748N78.4Confident70.4Confident136 Ų13681.8 Ų81.873%0.72742%0.421SS*.THydrogen-bonded Turntrans56.131-173.2-73.3-40.6000114L744 I745 D746L744-N748 PolarHBondContact O-N 3.49Å; I745-N748 WeakPolarHBondContact O-CA 3.47Å; I745-N748 PolarHBondContact O-N 2.93Å; D746-N748 VanDerWaalsContact C-N 3.29Å; D746-N748 PolarHBondContact O-N 3.42Å
749L74.9Confident68.7Low17 Ų1777.5 Ų77.59%0.08941%0.406CS..  trans-89.4-29.4177.3-65.9169.9000111.9L744 R747 D762 L765L744-L749 HydrophobicContact CD2-CB 4.29Å; L744-L749 HydrophobicContact CD2-CD1 3.76Å; L744-L749 WeakPolarHBondContact O-CB 3.38Å; L744-L749 PolarHBondContact O-N 3.12Å; R747-L749 HydrophobicContact CB-CD1 3.81Å; R747-L749 HydrophobicContact CB-CG 3.91Å; R747-L749 PolarHBondContact O-N 3.4Å; L749-D762 HydrophobicContact CD1-CB 4.04Å; L749-D762 WeakPolarHBondContact CD1-OD2 3.31Å; L749-D762 HydrophobicContact CD2-CB 4.03Å; L749-L765 HydrophobicContact CB-CB 4.49Å; L749-L765 HydrophobicContact CB-CD1 4.41Å; L749-L765 HydrophobicContact CB-CD2 4.29Å; L749-L765 HydrophobicContact CD1-CB 4.43Å
750L69.6Low67.1Low8 Ų877.9 Ų77.94%0.04241%0.409CS..SBendtrans-100.783.5168.3-73.4167.6000108.5R741 L744 I745 L765 L800 I803R741-L750 HydrophobicContact CG-CD1 3.95Å; L744-L750 HydrophobicContact CB-CD1 3.55Å; L744-L750 HydrophobicContact CB-CG 3.95Å; L744-L750 HydrophobicContact CD1-CD1 3.97Å; L744-L750 HydrophobicContact CD1-CG 4.49Å; L744-L750 HydrophobicContact CG-CD1 4.44Å; L744-L750 PolarHBondContact O-N 3.21Å; I745-L750 HydrophobicContact CG1-CB 4.02Å; I745-L750 HydrophobicContact CG1-CD1 4.23Å; L750-L765 HydrophobicContact CD2-CD1 4.39Å; L750-L800 HydrophobicContact CD2-CD2 3.42Å; L750-L800 VanDerWaalsContact CD2-CD2 3.42Å; L750-I803 HydrophobicContact CB-CD1 4.04Å
751G58.2Low66Low21 Ų2184.1 Ų84.122%0.21644%0.443CS..SBendtrans-161.3170.7177.900000109.9S753 V754G751-S753 PolarHBondContact O-N 2.68Å; G751-V754 WeakPolarHBondContact O-CG2 3.25Å; G751-V754 PolarHBondContact O-N 3.15Å; G751-V754 VanDerWaalsContact O-N 3.12Å
752S48.3Very low65.6Low119 Ų11983.4 Ų83.483%0.83244%0.443SS*.THydrogen-bonded Turntrans-54.3-5.5-173.957.50000116.3
753S44.6Very low65.4Low66 Ų6680.5 Ų80.546%0.46243%0.433SS..THydrogen-bonded Turntrans-105.232.5176.7-174.90000114.1G751 L755 S756G751-S753 PolarHBondContact O-N 2.68Å; S753-L755 PolarHBondContact O-N 3.15Å; S753-S756 PolarHBondContact O-N 3.28Å; S753-S756 PolarHBondContact O-OG 3.12Å; S753-S756 WeakPolarHBondContact OG-CB 3.39Å
754V48.8Very low65.4Low69 Ų6979.4 Ų79.442%0.41843%0.426SS..THydrogen-bonded Turntrans-56.8-17.5172.1-170.20000112.3G751 A759G751-V754 WeakPolarHBondContact O-CG2 3.25Å; G751-V754 PolarHBondContact O-N 3.15Å; G751-V754 VanDerWaalsContact O-N 3.12Å; V754-A759 WeakPolarHBondContact O-CB 3.48Å
755L47.3Very low65.4Low178 Ų17879.7 Ų79.793%0.93243%0.428SS*.THydrogen-bonded Turntrans-93.67.2176.3-69.9166.5000115.2S753S753-L755 PolarHBondContact O-N 3.15Å
756S48Very low65.3Low44 Ų4479.4 Ų79.431%0.30843%0.43SS..SBendtrans-72.6143.1172.673.80000111.1S753 R758 A759S753-S756 PolarHBondContact O-N 3.28Å; S753-S756 PolarHBondContact O-OG 3.12Å; S753-S756 WeakPolarHBondContact OG-CB 3.39Å; S756-R758 PolarHBondContact O-N 3.44Å; S756-A759 WeakPolarHBondContact O-CB 3.48Å; S756-A759 PolarHBondContact O-N 3.44Å
757Q45.7Very low65.5Low181 Ų18174.2 Ų74.285%0.84640%0.402SS*.THydrogen-bonded Turntrans-53.3-14.5172.7-78.3177.6-22.600114.3S760Q757-S760 PolarHBondContact O-OG 2.7Å; Q757-S760 VanDerWaalsContact O-OG 3.1Å
758R49.6Very low65.6Low223 Ų22368.8 Ų68.884%0.84238%0.382SS*.THydrogen-bonded Turntrans-78.1-33.5172.4-81.3-175.4174.6-178.6-1.8113.1S756S756-R758 PolarHBondContact O-N 3.44Å
759A54.1Low65.9Low9 Ų965.7 Ų65.77%0.07437%0.365CS..G310 helixtrans-73.5-29.4-17900000112.3V754 S756 N761 D762 L765V754-A759 WeakPolarHBondContact O-CB 3.48Å; S756-A759 WeakPolarHBondContact O-CB 3.48Å; S756-A759 PolarHBondContact O-N 3.44Å; A759-N761 PolarHBondContact O-N 2.79Å; A759-D762 PolarHBondContact O-N 2.91Å; A759-L765 HydrophobicContact CB-CD2 3.92Å
760S56.7Low66.2Low86 Ų8667.9 Ų67.960%0.60138%0.375SS*.G310 helixtrans-66-18.8-177.2610000114.5Q757Q757-S760 PolarHBondContact O-OG 2.7Å; Q757-S760 VanDerWaalsContact O-OG 3.1Å
761N66.3Low66.7Low143 Ų14367.7 Ų67.777%0.76537%0.374SS*.G310 helixtrans-111.20.6-175.9-69.52.6000113.8A759 S763A759-N761 PolarHBondContact O-N 2.79Å; N761-S763 PolarHBondContact O-N 2.84Å
762D79.1Confident67.7Low37 Ų3768.2 Ų68.220%0.19837%0.371CS..  trans-81118.6179.6-170.1-76.3000111.1L749 A759 K764 L765 S766L749-D762 HydrophobicContact CD1-CB 4.04Å; L749-D762 WeakPolarHBondContact CD1-OD2 3.31Å; L749-D762 HydrophobicContact CD2-CB 4.03Å; A759-D762 PolarHBondContact O-N 2.91Å; D762-K764 VanDerWaalsContact C-N 3.34Å; D762-K764 PolarHBondContact O-N 2.92Å; D762-K764 WeakPolarHBondContact OD1-CA 3.28Å; D762-K764 WeakPolarHBondContact OD1-CB 3.49Å; D762-K764 PolarHBondContact OD1-N 3.16Å; D762-L765 HydrophobicContact CB-CB 4.22Å; D762-L765 PolarHBondContact O-N 2.82Å; D762-L765 PolarHBondContact OD1-N 2.75Å; D762-S766 PolarHBondContact O-N 3.16Å
763S83.1Confident68.8Low32 Ų3268.2 Ų68.222%0.22437%0.366CS..Hα-helixtrans-68.1-31.3-174.666.10000113.2V675 N761 F767V675-S763 WeakPolarHBondContact O-CB 3.1Å; V675-S763 PolarHBondContact O-OG 3.04Å; N761-S763 PolarHBondContact O-N 2.84Å; S763-F767 VanDerWaalsContact O-CB 3.32Å; S763-F767 WeakPolarHBondContact O-CB 3.39Å; S763-F767 PolarHBondContact O-N 3.07Å
764K85.4Confident70.2Confident19 Ų1969 Ų698%0.08336%0.363CS..Hα-helixtrans-71.7-41.2177.5-73.5-174.5165.1-174.80111.5V675 T676 W740 D743 L744 D762 W768V675-K764 HydrophobicContact CG1-CG 4.21Å; T676-K764 HydrophobicContact CG2-CD 4.4Å; T676-K764 HydrophobicContact CG2-CG 4.2Å; W740-K764 HydrophobicContact CZ2-CB 4.13Å; W740-K764 HydrophobicContact CZ2-CG 3.93Å; D743-K764 IonicContact OD1-NZ 2.78Å; D743-K764 VanDerWaalsContact OD2-CD 3.31Å; D743-K764 WeakPolarHBondContact OD2-CD 3.37Å; D743-K764 IonicContact OD2-NZ 3.16Å; D743-K764 PolarHBondContact OD2-NZ 2.83Å; L744-K764 HydrophobicContact CD2-CB 3.89Å; D762-K764 VanDerWaalsContact C-N 3.34Å; D762-K764 PolarHBondContact O-N 2.92Å; D762-K764 WeakPolarHBondContact OD1-CA 3.28Å; D762-K764 WeakPolarHBondContact OD1-CB 3.49Å; D762-K764 PolarHBondContact OD1-N 3.16Å; K764-W768 VanDerWaalsContact O-CB 3.26Å; K764-W768 WeakPolarHBondContact O-CB 3.26Å; K764-W768 PolarHBondContact O-N 3.08Å
765L85.4Confident71.3Confident5 Ų568 Ų683%0.02637%0.367CS..Hα-helixtrans-64.7-45.5175.5-179.964.2000110.8L744 L749 L750 A759 D762 F767 W768 L769L744-L765 HydrophobicContact CD2-CB 4.25Å; L749-L765 HydrophobicContact CB-CB 4.49Å; L749-L765 HydrophobicContact CB-CD1 4.41Å; L749-L765 HydrophobicContact CB-CD2 4.29Å; L749-L765 HydrophobicContact CD1-CB 4.43Å; L750-L765 HydrophobicContact CD2-CD1 4.39Å; A759-L765 HydrophobicContact CB-CD2 3.92Å; D762-L765 HydrophobicContact CB-CB 4.22Å; D762-L765 PolarHBondContact O-N 2.82Å; D762-L765 PolarHBondContact OD1-N 2.75Å; L765-F767 PolarHBondContact O-N 3.13Å; L765-W768 WeakPolarHBondContact O-CB 3.45Å; L765-W768 PolarHBondContact O-N 3.36Å; L765-L769 HydrophobicContact CD1-CD1 4.31Å; L765-L769 HydrophobicContact CD1-CG 4.32Å; L765-L769 HydrophobicContact CG-CD1 4.12Å; L765-L769 WeakPolarHBondContact O-CG 3.47Å; L765-L769 PolarHBondContact O-N 2.89Å
766S83.4Confident72.8Confident42 Ų4259.8 Ų59.829%0.29432%0.323SS..Hα-helixtrans-60.4-45.3177.81750000112.1R685 D762 L769 E770R685-S766 PolarHBondContact NH1-OG 3.09Å; R685-S766 PolarHBondContact NH2-OG 2.9Å; D762-S766 PolarHBondContact O-N 3.16Å; S766-L769 PolarHBondContact O-N 3.31Å; S766-E770 PolarHBondContact O-N 3.48Å; S766-E770 VanDerWaalsContact O-N 3.15Å
767F86Confident74.4Confident4 Ų457.7 Ų57.72%0.01831%0.309CS..Hα-helixtrans-64.6-38.4176.5-179.1-101000112.6I671 V675 R685 A688 I689 L692 W740 S763 L765 E770 T771I671-F767 HydrophobicContact CG2-CE1 4.25Å; I671-F767 HydrophobicContact CG2-CZ 4.27Å; V675-F767 HydrophobicContact CB-CG 4.41Å; V675-F767 HydrophobicContact CG1-CB 3.6Å; V675-F767 HydrophobicContact CG1-CD1 4.17Å; V675-F767 HydrophobicContact CG1-CG 3.87Å; V675-F767 HydrophobicContact CG2-CB 4.22Å; V675-F767 HydrophobicContact CG2-CD1 3.66Å; V675-F767 HydrophobicContact CG2-CD2 3.61Å; V675-F767 HydrophobicContact CG2-CE1 3.81Å; V675-F767 HydrophobicContact CG2-CE2 3.75Å; V675-F767 HydrophobicContact CG2-CG 3.56Å; V675-F767 HydrophobicContact CG2-CZ 3.84Å; R685-F767 HydrophobicContact CG-CD2 4.43Å; A688-F767 HydrophobicContact CB-CD2 4.5Å; A688-F767 HydrophobicContact CB-CE2 3.65Å; A688-F767 HydrophobicContact CB-CZ 4.05Å; I689-F767 HydrophobicContact CG1-CD2 4.39Å; I689-F767 HydrophobicContact CG1-CE2 3.69Å; I689-F767 HydrophobicContact CG1-CZ 4.48Å; L692-F767 HydrophobicContact CD2-CE1 4.33Å; L692-F767 HydrophobicContact CD2-CZ 4.29Å; W740-F767 HydrophobicContact CH2-CD1 4.06Å; W740-F767 HydrophobicContact CH2-CE1 4.25Å; W740-F767 AromaticContact CZ2-CD1 3.69Å; W740-F767 HydrophobicContact CZ2-CD1 3.69Å; W740-F767 HydrophobicContact CZ2-CE1 4.27Å; S763-F767 VanDerWaalsContact O-CB 3.32Å; S763-F767 WeakPolarHBondContact O-CB 3.39Å; S763-F767 PolarHBondContact O-N 3.07Å; L765-F767 PolarHBondContact O-N 3.13Å; F767-E770 PolarHBondContact O-N 3.26Å; F767-T771 HydrophobicContact CD1-CG2 4.21Å; F767-T771 HydrophobicContact CD2-CG2 4.33Å; F767-T771 HydrophobicContact CE1-CG2 3.85Å; F767-T771 HydrophobicContact CE2-CG2 3.99Å; F767-T771 HydrophobicContact CG-CG2 4.45Å; F767-T771 HydrophobicContact CZ-CG2 3.74Å; F767-T771 WeakPolarHBondContact O-CB 3.48Å; F767-T771 WeakPolarHBondContact O-CG2 3.44Å; F767-T771 PolarHBondContact O-N 3.5Å; F767-T771 PolarHBondContact O-OG1 3.37Å
768W85.4Confident76.3Confident5 Ų549.1 Ų49.12%0.01927%0.269CS..Hα-helixtrans-63.6-46.8176.5178.7-102.6000112.7I737 W740 R741 L744 K764 L765 E770 T771 I772 F797I737-W768 HydrophobicContact CG2-CH2 3.87Å; I737-W768 HydrophobicContact CG2-CZ3 4.06Å; W740-W768 HydrophobicContact CB-CE3 4.39Å; W740-W768 HydrophobicContact CB-CZ3 4.09Å; W740-W768 AromaticContact CD1-CD2 3.99Å; W740-W768 AromaticContact CD1-CE3 3.29Å; W740-W768 AromaticContact CD1-CZ3 3.85Å; W740-W768 AromaticContact CG-CE3 3.97Å; W740-W768 HydrophobicContact CG-CE3 3.97Å; W740-W768 HydrophobicContact CG-CZ3 4.15Å; W740-W768 AromaticContact NE1-CE3 3.9Å; R741-W768 HydrophobicContact CB-CH2 3.79Å; R741-W768 HydrophobicContact CB-CZ2 3.73Å; R741-W768 HydrophobicContact CG-CH2 4.41Å; R741-W768 HydrophobicContact CG-CZ2 3.86Å; L744-W768 HydrophobicContact CD1-CB 3.55Å; L744-W768 HydrophobicContact CD1-CD2 3.79Å; L744-W768 HydrophobicContact CD1-CE3 4.47Å; L744-W768 HydrophobicContact CD1-CG 3.34Å; K764-W768 VanDerWaalsContact O-CB 3.26Å; K764-W768 WeakPolarHBondContact O-CB 3.26Å; K764-W768 PolarHBondContact O-N 3.08Å; L765-W768 WeakPolarHBondContact O-CB 3.45Å; L765-W768 PolarHBondContact O-N 3.36Å; W768-E770 VanDerWaalsContact C-N 3.32Å; W768-E770 PolarHBondContact O-N 3.23Å; W768-T771 WeakPolarHBondContact CA-OG1 3.47Å; W768-T771 PolarHBondContact O-N 3.1Å; W768-T771 PolarHBondContact O-OG1 3.41Å; W768-T771 VanDerWaalsContact O-OG1 3.12Å; W768-I772 HydrophobicContact CD2-CD1 4.08Å; W768-I772 HydrophobicContact CD2-CG1 4.38Å; W768-I772 HydrophobicContact CG-CD1 4.36Å; W768-I772 HydrophobicContact CH2-CD1 4.48Å; W768-I772 HydrophobicContact CZ2-CD1 3.57Å; W768-I772 HydrophobicContact CZ2-CG1 4.24Å; W768-I772 WeakPolarHBondContact O-CB 3.45Å; W768-I772 WeakPolarHBondContact O-CG1 3.33Å; W768-I772 PolarHBondContact O-N 3.1Å; W768-F797 AromaticContact CH2-CE1 3.64Å; W768-F797 HydrophobicContact CH2-CE1 3.64Å; W768-F797 AromaticContact CH2-CZ 3.61Å; W768-F797 HydrophobicContact CH2-CZ 3.61Å; W768-F797 AromaticContact CZ2-CE1 3.99Å; W768-F797 HydrophobicContact CZ2-CE1 3.99Å; W768-F797 HydrophobicContact CZ2-CZ 4.09Å
769L83Confident78Confident72 Ų7238.5 Ų38.538%0.37723%0.229SC..Hα-helixtrans-61.5-42.4177.7-70.1170.9000111.2L765 S766 T773L765-L769 HydrophobicContact CD1-CD1 4.31Å; L765-L769 HydrophobicContact CD1-CG 4.32Å; L765-L769 HydrophobicContact CG-CD1 4.12Å; L765-L769 WeakPolarHBondContact O-CG 3.47Å; L765-L769 PolarHBondContact O-N 2.89Å; S766-L769 PolarHBondContact O-N 3.31Å; L769-T773 VanDerWaalsContact O-CG2 3.31Å; L769-T773 WeakPolarHBondContact O-CG2 3.35Å; L769-T773 PolarHBondContact O-N 3.3Å; L769-T773 VanDerWaalsContact O-N 3.15Å; L769-T773 PolarHBondContact O-OG1 3.47Å
770E81.2Confident79.6Confident63 Ų6338.2 Ų38.229%0.29423%0.226SC..Hα-helixtrans-64.8-47.5177.5-172.4173.2179.500112.1R685 I689 S766 F767 W768 T773 Q774R685-E770 VanDerWaalsContact CD-OE2 3.28Å; R685-E770 WeakPolarHBondContact CD-OE2 3.48Å; I689-E770 HydrophobicContact CD1-CG 4.33Å; I689-E770 WeakPolarHBondContact CD1-OE1 3.45Å; S766-E770 PolarHBondContact O-N 3.48Å; S766-E770 VanDerWaalsContact O-N 3.15Å; F767-E770 PolarHBondContact O-N 3.26Å; W768-E770 VanDerWaalsContact C-N 3.32Å; W768-E770 PolarHBondContact O-N 3.23Å; E770-T773 PolarHBondContact O-N 2.99Å; E770-T773 PolarHBondContact O-OG1 3.34Å; E770-Q774 WeakPolarHBondContact O-CG 3.46Å; E770-Q774 PolarHBondContact O-N 2.98Å; E770-Q774 VanDerWaalsContact O-N 3.15Å
771T80.9Confident80.8Confident3 Ų337.5 Ų37.52%0.01822%0.216CC..Hα-helixtrans-67.7-38.2-179.350.20000112.6I689 L692 F767 W768 T773 Q774 G775 F776I689-T771 HydrophobicContact CG1-CG2 4.45Å; L692-T771 HydrophobicContact CD2-CG2 3.61Å; F767-T771 HydrophobicContact CD1-CG2 4.21Å; F767-T771 HydrophobicContact CD2-CG2 4.33Å; F767-T771 HydrophobicContact CE1-CG2 3.85Å; F767-T771 HydrophobicContact CE2-CG2 3.99Å; F767-T771 HydrophobicContact CG-CG2 4.45Å; F767-T771 HydrophobicContact CZ-CG2 3.74Å; F767-T771 WeakPolarHBondContact O-CB 3.48Å; F767-T771 WeakPolarHBondContact O-CG2 3.44Å; F767-T771 PolarHBondContact O-N 3.5Å; F767-T771 PolarHBondContact O-OG1 3.37Å; W768-T771 WeakPolarHBondContact CA-OG1 3.47Å; W768-T771 PolarHBondContact O-N 3.1Å; W768-T771 PolarHBondContact O-OG1 3.41Å; W768-T771 VanDerWaalsContact O-OG1 3.12Å; T771-T773 VanDerWaalsContact C-N 3.32Å; T771-T773 PolarHBondContact O-N 3.22Å; T771-Q774 PolarHBondContact O-N 2.93Å; T771-Q774 VanDerWaalsContact O-N 3.12Å; T771-G775 PolarHBondContact O-N 3.05Å; T771-F776 WeakPolarHBondContact O-CB 3.4Å; T771-F776 VanDerWaalsContact O-CD2 3.25Å; T771-F776 WeakPolarHBondContact O-CD2 3.4Å; T771-F776 PolarHBondContact O-N 3.31Å; T771-F776 VanDerWaalsContact O-N 3.16Å
772I78.8Confident81.3Confident33 Ų3337.3 Ų37.317%0.16921%0.21CC..Hα-helixtrans-59.6-44.2171.8-76.4-176.7000111W768 Q774 G775 L798W768-I772 HydrophobicContact CD2-CD1 4.08Å; W768-I772 HydrophobicContact CD2-CG1 4.38Å; W768-I772 HydrophobicContact CG-CD1 4.36Å; W768-I772 HydrophobicContact CH2-CD1 4.48Å; W768-I772 HydrophobicContact CZ2-CD1 3.57Å; W768-I772 HydrophobicContact CZ2-CG1 4.24Å; W768-I772 WeakPolarHBondContact O-CB 3.45Å; W768-I772 WeakPolarHBondContact O-CG1 3.33Å; W768-I772 PolarHBondContact O-N 3.1Å; I772-Q774 PolarHBondContact O-N 3.21Å; I772-G775 PolarHBondContact O-N 2.89Å; I772-L798 HydrophobicContact CD1-CD2 4.26Å; I772-L798 HydrophobicContact CG1-CD2 4.12Å; I772-L798 HydrophobicContact CG2-CD2 4.13Å
773T73Confident81Confident118 Ų11839 Ų3972%0.72422%0.219SC*.Hα-helixtrans-64.3-22.9179.157.10000113.1L769 E770 T771 G775L769-T773 VanDerWaalsContact O-CG2 3.31Å; L769-T773 WeakPolarHBondContact O-CG2 3.35Å; L769-T773 PolarHBondContact O-N 3.3Å; L769-T773 VanDerWaalsContact O-N 3.15Å; L769-T773 PolarHBondContact O-OG1 3.47Å; E770-T773 PolarHBondContact O-N 2.99Å; E770-T773 PolarHBondContact O-OG1 3.34Å; T771-T773 VanDerWaalsContact C-N 3.32Å; T771-T773 PolarHBondContact O-N 3.22Å; T773-G775 VanDerWaalsContact C-N 3.32Å
774Q72.6Confident80.7Confident84 Ų8437.8 Ų37.839%0.39321%0.21SC..THydrogen-bonded Turntrans-86.45.3172.8-65.1-175.320.100113.8E770 T771 I772 F776E770-Q774 WeakPolarHBondContact O-CG 3.46Å; E770-Q774 PolarHBondContact O-N 2.98Å; E770-Q774 VanDerWaalsContact O-N 3.15Å; T771-Q774 PolarHBondContact O-N 2.93Å; T771-Q774 VanDerWaalsContact O-N 3.12Å; I772-Q774 PolarHBondContact O-N 3.21Å; Q774-F776 HydrophobicContact CB-CD2 3.93Å; Q774-F776 HydrophobicContact CB-CE2 4.01Å
775G72.6Confident80.3Confident48 Ų4841.4 Ų41.450%0.49524%0.235SC..THydrogen-bonded Turntrans89.515174.300000115.3T771 I772 T773 G777T771-G775 PolarHBondContact O-N 3.05Å; I772-G775 PolarHBondContact O-N 2.89Å; T773-G775 VanDerWaalsContact C-N 3.32Å; G775-G777 PolarHBondContact O-N 3.29Å
776F77.9Confident79.9Confident4 Ų448.3 Ų48.32%0.01827%0.267CS..  trans-78.188.8174.9-70.1-91.2000111.3L692 F693 R696 Y733 T771 Q774L692-F776 HydrophobicContact CB-CE1 4.17Å; L692-F776 HydrophobicContact CB-CZ 4.44Å; L692-F776 HydrophobicContact CD2-CB 4.44Å; L692-F776 HydrophobicContact CD2-CD1 3.71Å; L692-F776 HydrophobicContact CD2-CD2 4.44Å; L692-F776 HydrophobicContact CD2-CE1 3.91Å; L692-F776 HydrophobicContact CD2-CG 3.96Å; L692-F776 HydrophobicContact CD2-CZ 4.31Å; L692-F776 HydrophobicContact CG-CD1 3.81Å; L692-F776 HydrophobicContact CG-CE1 3.7Å; L692-F776 HydrophobicContact CG-CZ 4.33Å; F693-F776 HydrophobicContact CB-CZ 4.11Å; F693-F776 HydrophobicContact CD1-CE1 4.42Å; F693-F776 AromaticContact CD1-CZ 3.84Å; F693-F776 HydrophobicContact CD1-CZ 3.84Å; F693-F776 HydrophobicContact CD2-CE1 4.46Å; F693-F776 AromaticContact CD2-CE2 3.79Å; F693-F776 HydrophobicContact CD2-CE2 3.79Å; F693-F776 AromaticContact CD2-CZ 3.31Å; F693-F776 HydrophobicContact CD2-CZ 3.31Å; F693-F776 HydrophobicContact CE1-CE2 4.39Å; F693-F776 AromaticContact CE1-CZ 3.98Å; F693-F776 HydrophobicContact CE1-CZ 3.98Å; F693-F776 AromaticContact CE2-CE2 3.45Å; F693-F776 HydrophobicContact CE2-CE2 3.45Å; F693-F776 VanDerWaalsContact CE2-CE2 3.45Å; F693-F776 AromaticContact CE2-CZ 3.45Å; F693-F776 HydrophobicContact CE2-CZ 3.45Å; F693-F776 VanDerWaalsContact CE2-CZ 3.45Å; F693-F776 HydrophobicContact CG-CE1 4.27Å; F693-F776 HydrophobicContact CG-CE2 4.35Å; F693-F776 AromaticContact CG-CZ 3.49Å; F693-F776 HydrophobicContact CG-CZ 3.49Å; F693-F776 VanDerWaalsContact CG-CZ 3.49Å; F693-F776 AromaticContact CZ-CE2 3.78Å; F693-F776 HydrophobicContact CZ-CE2 3.78Å; F693-F776 AromaticContact CZ-CZ 3.78Å; F693-F776 HydrophobicContact CZ-CZ 3.78Å; R696-F776 HydrophobicContact CB-CD1 4.36Å; R696-F776 HydrophobicContact CB-CE1 4.05Å; Y733-F776 WeakPolarHBondContact OH-CD1 3.33Å; T771-F776 WeakPolarHBondContact O-CB 3.4Å; T771-F776 VanDerWaalsContact O-CD2 3.25Å; T771-F776 WeakPolarHBondContact O-CD2 3.4Å; T771-F776 PolarHBondContact O-N 3.31Å; T771-F776 VanDerWaalsContact O-N 3.16Å; Q774-F776 HydrophobicContact CB-CD2 3.93Å; Q774-F776 HydrophobicContact CB-CE2 4.01Å
777G81.5Confident79.9Confident1 Ų147 Ų471%0.0126%0.257CS..  trans-113-170.8169.700000113.2R696 G775R696-G777 PolarHBondContact NH1-O 3.41Å; G775-G777 PolarHBondContact O-N 3.29Å
778L86.5Confident79.6Confident1 Ų149.5 Ų49.51%0.00528%0.284CS..PPolyproline II helixtrans-64.3138.9171.5-59.9172.7000110.8N734 I737 R738 C780 V789 N794 F797N734-L778 HydrophobicContact CB-CD2 4.19Å; N734-L778 WeakPolarHBondContact OD1-CA 3.49Å; I737-L778 HydrophobicContact CG2-CD2 4.28Å; R738-L778 HydrophobicContact CG-CD2 3.81Å; L778-C780 PolarHBondContact O-SG 3.45Å; L778-V789 HydrophobicContact CB-CG1 4.04Å; L778-V789 HydrophobicContact CD1-CG1 4.04Å; L778-N794 HydrophobicContact CB-CB 4.13Å; L778-N794 PolarHBondContact N-OD1 3.36Å; L778-N794 PolarHBondContact O-ND2 3.48Å; L778-F797 HydrophobicContact CD1-CB 3.77Å; L778-F797 HydrophobicContact CD1-CD1 4.2Å; L778-F797 HydrophobicContact CD1-CD2 3.88Å; L778-F797 HydrophobicContact CD1-CG 3.68Å; L778-F797 HydrophobicContact CD2-CE1 4.41Å; L778-F797 HydrophobicContact CD2-CE2 4.46Å; L778-F797 HydrophobicContact CD2-CZ 4.38Å; L778-F797 HydrophobicContact CG-CB 4.32Å; L778-F797 HydrophobicContact CG-CD1 3.87Å; L778-F797 HydrophobicContact CG-CD2 4.26Å; L778-F797 HydrophobicContact CG-CE1 4.23Å; L778-F797 HydrophobicContact CG-CG 3.88Å
779L85.6Confident79.5Confident0 Ų049.7 Ų49.70%029%0.286CS..PPolyproline II helixtrans-71.2127.4169.1-66.2168.4000109.1R696 A699 Q700 A730 Y733 N734 I784 I787R696-L779 HydrophobicContact CG-CD2 4.34Å; A699-L779 HydrophobicContact CB-CD1 3.36Å; Q700-L779 HydrophobicContact CG-CD2 3.66Å; A730-L779 HydrophobicContact CB-CD1 3.94Å; Y733-L779 HydrophobicContact CD1-CD1 3.53Å; Y733-L779 HydrophobicContact CD1-CG 3.81Å; Y733-L779 HydrophobicContact CE1-CD1 4.09Å; Y733-L779 HydrophobicContact CE1-CG 3.92Å; Y733-L779 HydrophobicContact CG-CD1 4.22Å; N734-L779 PolarHBondContact ND2-O 3.48Å; N734-L779 PolarHBondContact OD1-N 2.9Å; L779-I784 HydrophobicContact CB-CD1 4.24Å; L779-I784 HydrophobicContact CD1-CD1 3.87Å; L779-I784 HydrophobicContact CG-CD1 4.47Å; L779-I787 HydrophobicContact CB-CD1 3.88Å
780C86.2Confident79.5Confident2 Ų248.6 Ų48.61%0.01428%0.284CS..PPolyproline II helixtrans-99.3164.1-172.4-61.20000111.6L778 E782 D783 I784 V789 N794L778-C780 PolarHBondContact O-SG 3.45Å; C780-E782 PolarHBondContact O-N 2.97Å; C780-E782 VanDerWaalsContact O-N 3.07Å; C780-D783 PolarHBondContact N-OD2 3.49Å; C780-D783 PolarHBondContact O-N 3.08Å; C780-I784 PolarHBondContact O-N 3.34Å; C780-V789 CarbonylContact C-O 3.56Å; C780-V789 WeakPolarHBondContact CA-O 3.14Å; C780-N794 WeakPolarHBondContact SG-CB 3.29Å
781N82.5Confident79.6Confident72 Ų7249.5 Ų49.539%0.38529%0.289SS..THydrogen-bonded Turntrans-57-21.3172.3-81.1-29.2000113.6I784 I787 G788 V789N781-I784 WeakPolarHBondContact CA-O 3.47Å; N781-I787 WeakPolarHBondContact OD1-CG2 2.92Å; N781-I787 PolarHBondContact OD1-N 3.49Å; N781-I787 VanDerWaalsContact OD1-N 3.17Å; N781-G788 PolarHBondContact OD1-N 2.77Å; N781-V789 PolarHBondContact N-O 3.02Å
782E77.1Confident79.7Confident138 Ų13853.3 Ų53.365%0.64532%0.315SS*.THydrogen-bonded Turntrans-71.4-31.5173.5-66-174.3175.300112.9C780 Q791C780-E782 PolarHBondContact O-N 2.97Å; C780-E782 VanDerWaalsContact O-N 3.07Å; E782-Q791 PolarHBondContact OE1-OE1 3.22Å; E782-Q791 VanDerWaalsContact OE2-CD 3.29Å; E782-Q791 PolarHBondContact OE2-NE2 2.89Å; E782-Q791 PolarHBondContact OE2-OE1 3.47Å
783D72.1Confident80Confident72 Ų7254.6 Ų54.639%0.38532%0.32SS..THydrogen-bonded Turntrans-85.9-38.6177.9-57.6-48.9000110.9C780C780-D783 PolarHBondContact N-OD2 3.49Å; C780-D783 PolarHBondContact O-N 3.08Å
784I78.2Confident80.6Confident7 Ų750 Ų504%0.03629%0.292CS..SBendtrans-141.4107.5-173.1-54.1173.8000108.9A699 L727 A730 L779 C780 N781 I787A699-I784 WeakPolarHBondContact O-CD1 3.2Å; L727-I784 HydrophobicContact CD1-CG2 3.81Å; A730-I784 HydrophobicContact CB-CD1 3.29Å; L779-I784 HydrophobicContact CB-CD1 4.24Å; L779-I784 HydrophobicContact CD1-CD1 3.87Å; L779-I784 HydrophobicContact CG-CD1 4.47Å; C780-I784 PolarHBondContact O-N 3.34Å; N781-I784 WeakPolarHBondContact CA-O 3.47Å; I784-I787 HydrophobicContact CB-CB 4.4Å; I784-I787 HydrophobicContact CB-CD1 4.3Å; I784-I787 HydrophobicContact CD1-CD1 4.05Å; I784-I787 HydrophobicContact CG2-CB 4.49Å; I784-I787 PolarHBondContact O-N 2.81Å
785P75.7Confident81.1Confident95 Ų9554.5 Ų54.562%0.61731%0.305SS*.THydrogen-bonded Turntrans-54.9142.5175.2-22.632.1000111.4I787P785-I787 VanDerWaalsContact C-N 3.33Å; P785-I787 PolarHBondContact O-N 3.23Å
786E77.7Confident81.6Confident150 Ų15058.2 Ų58.270%0.70131%0.31SS*.THydrogen-bonded Turntrans70.212.4176.6-50.4-176.9174.700117.1L727 R731 G788L727-E786 HydrophobicContact CD2-CB 4.38Å; R731-E786 PolarHBondContact NH2-O 2.94Å; R731-E786 VanDerWaalsContact NH2-O 3.11Å; E786-G788 VanDerWaalsContact C-N 3.28Å; E786-G788 PolarHBondContact O-N 3.05Å
787I82.6Confident81.9Confident14 Ų1459 Ų597%0.07231%0.313CS..SBendtrans-73.5-23175.2-155.3159.3000113L727 A730 R731 L779 N781 I784 P785 V789L727-I787 HydrophobicContact CD1-CB 4.36Å; A730-I787 HydrophobicContact CB-CD1 3.38Å; R731-I787 HydrophobicContact CG-CG1 4.33Å; L779-I787 HydrophobicContact CB-CD1 3.88Å; N781-I787 WeakPolarHBondContact OD1-CG2 2.92Å; N781-I787 PolarHBondContact OD1-N 3.49Å; N781-I787 VanDerWaalsContact OD1-N 3.17Å; I784-I787 HydrophobicContact CB-CB 4.4Å; I784-I787 HydrophobicContact CB-CD1 4.3Å; I784-I787 HydrophobicContact CD1-CD1 4.05Å; I784-I787 HydrophobicContact CG2-CB 4.49Å; I784-I787 PolarHBondContact O-N 2.81Å; P785-I787 VanDerWaalsContact C-N 3.33Å; P785-I787 PolarHBondContact O-N 3.23Å; I787-V789 HydrophobicContact CG2-CB 4.34Å
788G80.8Confident81.8Confident58 Ų5861.5 Ų61.560%0.59833%0.326SS*.  trans84.97.2173.700000115.3N781 E786N781-G788 PolarHBondContact OD1-N 2.77Å; E786-G788 VanDerWaalsContact C-N 3.28Å; E786-G788 PolarHBondContact O-N 3.05Å
789V82.3Confident81.1Confident8 Ų864.6 Ų64.65%0.04834%0.343CS..  trans-109.6124.2179.9-177.90000109.6L778 C780 N781 I787 E793L778-V789 HydrophobicContact CB-CG1 4.04Å; L778-V789 HydrophobicContact CD1-CG1 4.04Å; C780-V789 CarbonylContact C-O 3.56Å; C780-V789 WeakPolarHBondContact CA-O 3.14Å; N781-V789 PolarHBondContact N-O 3.02Å; I787-V789 HydrophobicContact CG2-CB 4.34Å; V789-E793 HydrophobicContact CG1-CB 4.14Å; V789-E793 HydrophobicContact CG1-CG 4.31Å
790S84.5Confident80.1Confident49 Ų4968.5 Ų68.534%0.34336%0.363SS..  trans-81.8156.8175.768.10000111.2S792 E793 N794S790-S792 PolarHBondContact O-N 3.19Å; S790-S792 PolarHBondContact OG-OG 2.82Å; S790-E793 WeakPolarHBondContact O-CB 3.5Å; S790-E793 PolarHBondContact O-N 3.11Å; S790-E793 VanDerWaalsContact O-N 3.09Å; S790-E793 WeakPolarHBondContact OG-CB 3.09Å; S790-E793 PolarHBondContact OG-N 3.24Å; S790-E793 VanDerWaalsContact OG-N 3.16Å; S790-N794 PolarHBondContact O-N 2.96Å; S790-N794 VanDerWaalsContact O-N 3.13Å
791Q82.1Confident78.7Confident83 Ų8375.4 Ų75.439%0.38840%0.395SS..Hα-helixtrans-63.6-26.7174.8-161.4176.553.300112.3E782 R795E782-Q791 PolarHBondContact OE1-OE1 3.22Å; E782-Q791 VanDerWaalsContact OE2-CD 3.29Å; E782-Q791 PolarHBondContact OE2-NE2 2.89Å; E782-Q791 PolarHBondContact OE2-OE1 3.47Å; Q791-R795 WeakPolarHBondContact O-CG 3.4Å; Q791-R795 PolarHBondContact O-N 3.28Å
792S82.9Confident77Confident82 Ų8277 Ų7757%0.57340%0.403SS*.Hα-helixtrans-65.8-42.6171.663.40000111.9S790 N794 R795 E796S790-S792 PolarHBondContact O-N 3.19Å; S790-S792 PolarHBondContact OG-OG 2.82Å; S792-N794 VanDerWaalsContact C-N 3.34Å; S792-N794 PolarHBondContact O-N 3.42Å; S792-R795 PolarHBondContact O-N 2.82Å; S792-E796 PolarHBondContact O-N 2.82Å
793E85.8Confident75.4Confident60 Ų6073.6 Ų73.628%0.2839%0.389SS..Hα-helixtrans-65.1-37.6177.5-170.6-179.5-179.600111.3R738 V789 S790 E796 F797R738-E793 IonicContact CZ-OE1 2.77Å; R738-E793 IonicContact NH1-OE1 2.81Å; R738-E793 PolarHBondContact NH1-OE1 3.44Å; R738-E793 VanDerWaalsContact NH2-CD 3.28Å; R738-E793 IonicContact NH2-OE1 3.01Å; R738-E793 PolarHBondContact NH2-OE1 3.5Å; R738-E793 IonicContact NH2-OE2 2.64Å; V789-E793 HydrophobicContact CG1-CB 4.14Å; V789-E793 HydrophobicContact CG1-CG 4.31Å; S790-E793 WeakPolarHBondContact O-CB 3.5Å; S790-E793 PolarHBondContact O-N 3.11Å; S790-E793 VanDerWaalsContact O-N 3.09Å; S790-E793 WeakPolarHBondContact OG-CB 3.09Å; S790-E793 PolarHBondContact OG-N 3.24Å; S790-E793 VanDerWaalsContact OG-N 3.16Å; E793-E796 PolarHBondContact O-N 3.2Å; E793-F797 VanDerWaalsContact O-CB 3.26Å; E793-F797 WeakPolarHBondContact O-CB 3.24Å; E793-F797 PolarHBondContact O-N 3.16Å
794N85.7Confident73.5Confident23 Ų2373.4 Ų73.412%0.12340%0.397CS..Hα-helixtrans-66.2-39.6173-176.133.8000112.7L778 C780 S790 S792 F797 L798L778-N794 HydrophobicContact CB-CB 4.13Å; L778-N794 PolarHBondContact N-OD1 3.36Å; L778-N794 PolarHBondContact O-ND2 3.48Å; C780-N794 WeakPolarHBondContact SG-CB 3.29Å; S790-N794 PolarHBondContact O-N 2.96Å; S790-N794 VanDerWaalsContact O-N 3.13Å; S792-N794 VanDerWaalsContact C-N 3.34Å; S792-N794 PolarHBondContact O-N 3.42Å; N794-F797 WeakPolarHBondContact O-CB 3.44Å; N794-F797 PolarHBondContact O-N 2.98Å; N794-L798 WeakPolarHBondContact O-CG 3.37Å; N794-L798 PolarHBondContact O-N 3.3Å
795R83.2Confident71.1Confident177 Ų17781.4 Ų81.467%0.66844%0.437SS*.Hα-helixtrans-62.8-43.9175-77.5-177.2-179.4-174.32.2111.8Q791 S792 F797 L798 N799Q791-R795 WeakPolarHBondContact O-CG 3.4Å; Q791-R795 PolarHBondContact O-N 3.28Å; S792-R795 PolarHBondContact O-N 2.82Å; R795-F797 VanDerWaalsContact C-N 3.32Å; R795-L798 PolarHBondContact O-N 2.93Å; R795-N799 WeakPolarHBondContact O-CB 3.4Å; R795-N799 PolarHBondContact O-N 3.43Å
796E82.7Confident68.8Low127 Ų12781.6 Ų81.659%0.59344%0.44SS*.Hα-helixtrans-64.9-37.1176.1-166.1175.9-179.100111.6S792 E793 N799S792-E796 PolarHBondContact O-N 2.82Å; E793-E796 PolarHBondContact O-N 3.2Å; E796-N799 PolarHBondContact O-N 2.7Å
797F83.9Confident66.3Low19 Ų1982.5 Ų82.58%0.08344%0.444CS..Hα-helixtrans-62.9-41.9174.7-178.6-94.5000113.1I737 R738 R741 W768 L778 E793 N794 R795 N799I737-F797 HydrophobicContact CG2-CE1 3.54Å; I737-F797 HydrophobicContact CG2-CZ 3.56Å; R738-F797 HydrophobicContact CG-CE2 3.97Å; R741-F797 HydrophobicContact CB-CE2 3.91Å; R741-F797 HydrophobicContact CB-CZ 3.78Å; R741-F797 HydrophobicContact CG-CE2 4.22Å; R741-F797 HydrophobicContact CG-CZ 4.28Å; R741-F797 PolarHBondContact NE-O 3.37Å; R741-F797 VanDerWaalsContact NE-O 3.11Å; R741-F797 PolarHBondContact NH2-O 3.05Å; W768-F797 AromaticContact CH2-CE1 3.64Å; W768-F797 HydrophobicContact CH2-CE1 3.64Å; W768-F797 AromaticContact CH2-CZ 3.61Å; W768-F797 HydrophobicContact CH2-CZ 3.61Å; W768-F797 AromaticContact CZ2-CE1 3.99Å; W768-F797 HydrophobicContact CZ2-CE1 3.99Å; W768-F797 HydrophobicContact CZ2-CZ 4.09Å; L778-F797 HydrophobicContact CD1-CB 3.77Å; L778-F797 HydrophobicContact CD1-CD1 4.2Å; L778-F797 HydrophobicContact CD1-CD2 3.88Å; L778-F797 HydrophobicContact CD1-CG 3.68Å; L778-F797 HydrophobicContact CD2-CE1 4.41Å; L778-F797 HydrophobicContact CD2-CE2 4.46Å; L778-F797 HydrophobicContact CD2-CZ 4.38Å; L778-F797 HydrophobicContact CG-CB 4.32Å; L778-F797 HydrophobicContact CG-CD1 3.87Å; L778-F797 HydrophobicContact CG-CD2 4.26Å; L778-F797 HydrophobicContact CG-CE1 4.23Å; L778-F797 HydrophobicContact CG-CG 3.88Å; E793-F797 VanDerWaalsContact O-CB 3.26Å; E793-F797 WeakPolarHBondContact O-CB 3.24Å; E793-F797 PolarHBondContact O-N 3.16Å; N794-F797 WeakPolarHBondContact O-CB 3.44Å; N794-F797 PolarHBondContact O-N 2.98Å; R795-F797 VanDerWaalsContact C-N 3.32Å; F797-N799 VanDerWaalsContact C-N 3.33Å
798L79.4Confident63.7Low55 Ų5591.6 Ų91.629%0.28848%0.483SS..Hα-helixtrans-77-18.9177.7-68.6173.1000113I772 N794 R795 L800I772-L798 HydrophobicContact CD1-CD2 4.26Å; I772-L798 HydrophobicContact CG1-CD2 4.12Å; I772-L798 HydrophobicContact CG2-CD2 4.13Å; N794-L798 WeakPolarHBondContact O-CG 3.37Å; N794-L798 PolarHBondContact O-N 3.3Å; R795-L798 PolarHBondContact O-N 2.93Å; L798-L800 PolarHBondContact O-N 2.96Å
799N72.2Confident61.3Low66 Ų6692.9 Ų92.935%0.35349%0.488SS..  trans-69.9116-179.4-139.214.4000110R795 E796 F797R795-N799 WeakPolarHBondContact O-CB 3.4Å; R795-N799 PolarHBondContact O-N 3.43Å; E796-N799 PolarHBondContact O-N 2.7Å; F797-N799 VanDerWaalsContact C-N 3.33Å
800L65.5Low58.6Low81 Ų81101.1 Ų101.142%0.42453%0.526SS..SBendtrans-84.6-13.3176-83.6132.8000112.5L750 L798L750-L800 HydrophobicContact CD2-CD2 3.42Å; L750-L800 VanDerWaalsContact CD2-CD2 3.42Å; L798-L800 PolarHBondContact O-N 2.96Å
801E56.4Low56.1Low148 Ų148105.9 Ų105.969%0.69255%0.553SS**G310 helixtrans-75.3-29.1-172.9-68.8-172.3159.300114.1I803 A804E801-I803 PolarHBondContact O-N 2.81Å; E801-I803 VanDerWaalsContact O-N 3.1Å; E801-A804 WeakPolarHBondContact O-CB 3.48Å; E801-A804 PolarHBondContact O-N 3.01Å; E801-A804 VanDerWaalsContact O-N 3.1Å
802D46.1Very low53.5Low105 Ų105111.2 Ų111.256%0.56158%0.575SS**G310 helixtrans-72.4-6.6-173.6-74.7-45.7000114.7A804D802-A804 VanDerWaalsContact C-N 3.31Å
803I44.7Very low51.1Low67 Ų67113.2 Ų113.234%0.34459%0.589SS.*G310 helixtrans-86.1-7.1175.1-51.6176.7000111.2L750 E801L750-I803 HydrophobicContact CB-CD1 4.04Å; E801-I803 PolarHBondContact O-N 2.81Å; E801-I803 VanDerWaalsContact O-N 3.1Å
804A31.9Very low48.5Very low67 Ų67117.4 Ų117.455%0.55461%0.613SS**SBendtrans-98.7-5.3-171.100000116.2E801 D802 S806E801-A804 WeakPolarHBondContact O-CB 3.48Å; E801-A804 PolarHBondContact O-N 3.01Å; E801-A804 VanDerWaalsContact O-N 3.1Å; D802-A804 VanDerWaalsContact C-N 3.31Å; A804-S806 PolarHBondContact O-N 2.97Å
805M27.1Very low45.8Very low176 Ų176125.2 Ų125.287%0.86765%0.649SS**  trans-10371-172.3-66.7-151.975.700114.6
806S27.7Very low43.4Very low98 Ų98122.8 Ų122.869%0.68566%0.657SS**SBendtrans-149.4115.7147.265.90000109.5A804A804-S806 PolarHBondContact O-N 2.97Å
807H25.9Very low41Very low169 Ų169123.4 Ų123.478%0.78267%0.669SS**SBendtrans70.290.2176.9-59.4-78.4000117
808F28.1Very low38.6Very low205 Ų205127 Ų12790%0.89970%0.696SS**  172.1136.3102.3-106.5-88.1000110.4
809A29Very low36.6Very low85 Ų85130.1 Ų130.170%0.70272%0.72SS**  trans-73.5137177.900000111.9
810E26.1Very low34.9Very low181 Ų181131.5 Ų131.585%0.84673%0.727SS**  trans32.4117.9141.4-65.1178.1152.400119.4
811T31.2Very low33.8Very low149 Ų149136 Ų13691%0.91474%0.738SS**  -166.2117.411718.70000110.1
812K29Very low33.3Very low196 Ų196131.2 Ų131.285%0.85272%0.719SS**  trans-79.8144.4174-70.8177.8172.9-177.20110.5
813S31.1Very low32.9Very low123 Ų123129 Ų12986%0.8671%0.707SS**  trans-151108.1142.368.10000110.4
814D31.4Very low32.6Very low148 Ų148132 Ų13279%0.79172%0.718SS**  trans-68.4141.1170.4-70.8-50.7000112
815Q30.5Very low32.9Very low187 Ų187132.4 Ų132.487%0.87471%0.713SS**  trans-149.7123.9140.4-93.3-163-2000109.5
816P32.2Very low33.1Very low127 Ų127128 Ų12883%0.82569%0.691SS**PPolyproline II helixtrans-91134.3176.733.9-28.6000111.2
817V31.6Very low33.4Very low140 Ų140130.5 Ų130.585%0.84869%0.691SS**PPolyproline II helixtrans-97.7130166.21780000107.9
818S34.5Very low33.7Very low93 Ų93126.8 Ų126.865%0.6568%0.677SS**PPolyproline II helixtrans-64.6140.8179.847.70000112.8
819P36.5Very low33.8Very low121 Ų121122.9 Ų122.979%0.78666%0.662SS**  trans-88.7113.1175.132.9-27.2000110.4
820D37.6Very low33.9Very low96 Ų96123.4 Ų123.451%0.51365%0.653SS.*  trans-69.6129.1167.1-81.4-29.4000110V822D820-V822 PolarHBondContact O-N 3.09Å
821R41.3Very low34.1Very low174 Ų174119.9 Ų119.966%0.65764%0.641SS**  trans-63.4110.1-174.2-68.9171.5168.5177.4-7.8111.7D278D278-R821 VanDerWaalsContact CG-NE 3.31Å; D278-R821 VanDerWaalsContact CG-NH2 3.28Å; D278-R821 IonicContact OD1-CZ 3.24Å; D278-R821 VanDerWaalsContact OD1-CZ 3.24Å; D278-R821 IonicContact OD1-NE 3.63Å; D278-R821 PolarHBondContact OD1-NE 2.97Å; D278-R821 IonicContact OD1-NH2 2.97Å; D278-R821 PolarHBondContact OD1-NH2 2.55Å; D278-R821 IonicContact OD2-CZ 3.01Å; D278-R821 IonicContact OD2-NE 2.8Å; D278-R821 PolarHBondContact OD2-NE 3.41Å; D278-R821 IonicContact OD2-NH1 3.68Å; D278-R821 IonicContact OD2-NH2 3.09Å; D278-R821 PolarHBondContact OD2-NH2 3.48Å; D278-R821 VanDerWaalsContact OD2-NH2 3.09Å
822V45.4Very low34.1Very low49 Ų49118.1 Ų118.130%0.29763%0.63SS.*PPolyproline II helixtrans-90.5151.8167.3-178.60000107.3Q277 D820Q277-V822 WeakPolarHBondContact CB-O 3.15Å; Q277-V822 WeakPolarHBondContact CG-O 3.48Å; Q277-V822 PolarHBondContact NE2-O 3.39Å; Q277-V822 PolarHBondContact OE1-O 2.91Å; D820-V822 PolarHBondContact O-N 3.09Å
823L39Very low34.3Very low58 Ų58120.7 Ų120.730%0.30465%0.653SS.*EExtended strand (participates in β ladder)trans-102.9143.5174.3-60173.9000109.6R275 T276 Q277 L284 V289R275-L823 WeakPolarHBondContact O-CD2 3.35Å; T276-L823 HydrophobicContact CG2-CD2 4.34Å; Q277-L823 PolarHBondContact NE2-O 2.76Å; L284-L823 HydrophobicContact CD1-CD1 4.2Å; L284-L823 HydrophobicContact CD1-CD2 4.12Å; V289-L823 HydrophobicContact CG1-CD1 4.24Å; V289-L823 HydrophobicContact CG2-CD1 4.21Å
824K37.1Very low34.4Very low129 Ų129120.6 Ų120.656%0.56164%0.642SS**EExtended strand (participates in β ladder)trans-95.9125.9169.8-164.2-175.1176.8-152.20107.4Q277 E826Q277-K824 HydrophobicContact CG-CB 4.36Å; K824-E826 IonicContact NZ-OE1 2.57Å; K824-E826 PolarHBondContact NZ-OE1 2.94Å
825V38.4Very low34.6Very low77 Ų77119.1 Ų119.147%0.46763%0.634SS.*EExtended strand (participates in β ladder)trans-91.1117.8174.3-179.50000107.6T272T272-V825 HydrophobicContact CG2-CG1 4.1Å
826E31.3Very low34.8Very low83 Ų83115.3 Ų115.339%0.38862%0.621SS.*EExtended strand (participates in β ladder)trans-107.2122.5171.3-71.3-176.8169.200108.8K824K824-E826 IonicContact NZ-OE1 2.57Å; K824-E826 PolarHBondContact NZ-OE1 2.94Å
827H33.5Very low35Very low151 Ų151114.6 Ų114.670%0.69961%0.609SS**EExtended strand (participates in β ladder)trans-88.5109.5171-70.9-57.3000108.2
828L32.8Very low35.2Very low91 Ų91113.1 Ų113.148%0.47659%0.594SS.*EExtended strand (participates in β ladder)trans-110.9128.3171.4-83.3151.5000108.3
829M30.4Very low35.2Very low122 Ų122114.4 Ų114.460%0.60159%0.591SS**  trans-88.7111.2164.1-62.5-176.872.500106.1I258 L268I258-M829 HydrophobicContact CG2-CE 4.02Å; L268-M829 HydrophobicContact CD1-CE 4Å; L268-M829 HydrophobicContact CD2-CE 4.49Å
830D30.1Very low35.1Very low96 Ų96113.9 Ų113.951%0.51358%0.577SS.*  trans-109.4125.2175.2-116.1-17.4000107.8T832D830-T832 PolarHBondContact O-N 3.05Å
831D30.7Very low35Very low108 Ų108115.3 Ų115.358%0.57858%0.581SS**  trans-84.688.3171.7-73-26.7000108.6
832T31.3Very low34.4Very low112 Ų112110.4 Ų110.469%0.68758%0.575SS**  trans-142.290.3167.256.10000111D830D830-T832 PolarHBondContact O-N 3.05Å
833D33.1Very low33.4Very low249 Ų249116 Ų116100%1.33260%0.6SS**  trans-164.70130.1-100.6-14.2000109.9

Retrieved 833 of 833 residues in 804.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).