G4VDN9_SCHMA Loading...

Putative signal recognition particle receptor alpha subunit (Sr-alpha)

AlphaFold DB , UniProt , Accession G4VDN9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 659 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M69.3Low82.7Confident160 Ų16037.4 Ų37.479%0.78822%0.218SC*.  0122.70-164.6177.5-87.600107Y78M1-Y78 PolarHBondContact N-OH 3.11Å
2L80.5Confident82.4Confident9 Ų938.8 Ų38.85%0.04725%0.247CC..  trans-76.1133.3173.1-66.5175.7000108.5A68 Y70 L76 V79 F82 L118L2-A68 HydrophobicContact CD1-CB 4.39Å; L2-A68 HydrophobicContact CD2-CB 4.19Å; L2-Y70 HydrophobicContact CD2-CD1 4.24Å; L2-L76 HydrophobicContact CD2-CD1 4.23Å; L2-V79 HydrophobicContact CD2-CG2 3.94Å; L2-F82 HydrophobicContact CD1-CD1 3.76Å; L2-F82 HydrophobicContact CD1-CE1 3.51Å; L2-F82 HydrophobicContact CD1-CZ 4.16Å; L2-L118 HydrophobicContact CD1-CD1 3.78Å; L2-L118 HydrophobicContact CG-CD1 4.26Å
3D80.3Confident82.4Confident43 Ų4342.4 Ų42.423%0.2326%0.262CS..SBendtrans-78.8-33.6180-65.1-37.7000111.1F25 A69 Q71D3-F25 HydrophobicContact CB-CE1 4.17Å; D3-F25 HydrophobicContact CB-CZ 3.85Å; D3-A69 PolarHBondContact N-O 3.08Å; D3-Q71 WeakPolarHBondContact OD2-CG 3.3Å; D3-Q71 PolarHBondContact OD2-N 3.01Å
4F85.6Confident82.7Confident7 Ų750.4 Ų50.43%0.03129%0.285CS..EExtended strand (participates in β ladder)trans-155.1145.9-175.2176.3-98.9000111.2V6 C17 F25 I29 A69F4-V6 HydrophobicContact CD1-CG1 4.49Å; F4-V6 HydrophobicContact CE1-CB 3.59Å; F4-V6 HydrophobicContact CE1-CG1 3.45Å; F4-V6 VanDerWaalsContact CE1-CG1 3.45Å; F4-V6 HydrophobicContact CZ-CB 3.57Å; F4-V6 HydrophobicContact CZ-CG1 3.9Å; F4-V6 HydrophobicContact CZ-CG2 4.26Å; F4-C17 HydrophobicContact CE2-CB 4.49Å; F4-F25 HydrophobicContact CB-CD1 4Å; F4-F25 HydrophobicContact CB-CD2 3.98Å; F4-F25 HydrophobicContact CB-CE1 3.98Å; F4-F25 HydrophobicContact CB-CE2 3.97Å; F4-F25 HydrophobicContact CB-CG 4.01Å; F4-F25 HydrophobicContact CB-CZ 3.98Å; F4-F25 HydrophobicContact CD2-CB 4.37Å; F4-F25 AromaticContact CD2-CD2 3.89Å; F4-F25 HydrophobicContact CD2-CD2 3.89Å; F4-F25 HydrophobicContact CD2-CE2 4.48Å; F4-F25 HydrophobicContact CD2-CG 4.16Å; F4-F25 HydrophobicContact CG-CB 4.34Å; F4-F25 HydrophobicContact CG-CD1 4.35Å; F4-F25 HydrophobicContact CG-CD2 4.07Å; F4-F25 AromaticContact CG-CG 3.99Å; F4-F25 HydrophobicContact CG-CG 3.99Å; F4-I29 HydrophobicContact CD1-CD1 4.05Å; F4-I29 HydrophobicContact CD1-CG1 4.47Å; F4-I29 HydrophobicContact CE1-CD1 3.2Å; F4-I29 HydrophobicContact CE1-CG1 3.87Å; F4-I29 HydrophobicContact CE2-CD1 4.26Å; F4-I29 HydrophobicContact CZ-CD1 3.32Å; F4-I29 HydrophobicContact CZ-CG1 4.45Å; F4-A69 HydrophobicContact CB-CB 4.15Å; F4-A69 HydrophobicContact CD1-CB 4.49Å; F4-A69 PolarHBondContact N-O 3.47Å; F4-A69 PolarHBondContact O-N 3.16Å
5F89.3Confident82.9Confident0 Ų048.1 Ų48.10%027%0.271CS..EExtended strand (participates in β ladder)trans-145.1137.9172.6176.6-88.3000110.5I7 W16 C17 F18 F66 V67 A68 F82 L83 I86 Y114F5-I7 HydrophobicContact CD1-CG1 4.48Å; F5-I7 HydrophobicContact CE1-CD1 3.91Å; F5-I7 HydrophobicContact CE1-CG1 3.56Å; F5-I7 HydrophobicContact CZ-CD1 4.34Å; F5-I7 HydrophobicContact CZ-CG1 3.97Å; F5-W16 AromaticContact CD1-CE3 3.78Å; F5-W16 HydrophobicContact CD1-CE3 3.78Å; F5-W16 AromaticContact CD1-CZ3 3.39Å; F5-W16 HydrophobicContact CD1-CZ3 3.39Å; F5-W16 AromaticContact CE1-CE3 3.79Å; F5-W16 HydrophobicContact CE1-CE3 3.79Å; F5-W16 AromaticContact CE1-CZ3 3.64Å; F5-W16 HydrophobicContact CE1-CZ3 3.64Å; F5-C17 WeakPolarHBondContact O-CA 3.29Å; F5-F18 HydrophobicContact CB-CB 4.38Å; F5-F18 PolarHBondContact O-N 2.96Å; F5-F66 HydrophobicContact CE2-CB 4.44Å; F5-F66 HydrophobicContact CZ-CB 4.47Å; F5-F66 HydrophobicContact CZ-CD1 4.01Å; F5-V67 CarbonylContact C-O 3.2Å; F5-V67 VanDerWaalsContact CA-O 3.28Å; F5-V67 WeakPolarHBondContact CA-O 3.36Å; F5-V67 WeakPolarHBondContact CD2-O 3.3Å; F5-A68 HydrophobicContact CD2-CB 4.09Å; F5-F82 AromaticContact CD2-CE1 3.79Å; F5-F82 HydrophobicContact CD2-CE1 3.79Å; F5-F82 HydrophobicContact CD2-CZ 4.41Å; F5-F82 AromaticContact CE2-CE1 3.76Å; F5-F82 HydrophobicContact CE2-CE1 3.76Å; F5-F82 HydrophobicContact CE2-CZ 4.32Å; F5-L83 HydrophobicContact CD2-CD2 4.36Å; F5-L83 HydrophobicContact CE2-CD2 3.8Å; F5-I86 HydrophobicContact CE1-CG1 4.44Å; F5-I86 HydrophobicContact CE2-CG2 3.93Å; F5-I86 HydrophobicContact CZ-CG1 3.92Å; F5-I86 HydrophobicContact CZ-CG2 3.69Å; F5-Y114 HydrophobicContact CB-CE2 3.84Å; F5-Y114 HydrophobicContact CD1-CD2 4.03Å; F5-Y114 AromaticContact CD1-CE2 3.77Å; F5-Y114 HydrophobicContact CD1-CE2 3.77Å; F5-Y114 HydrophobicContact CD2-CE2 4.39Å; F5-Y114 HydrophobicContact CE1-CD2 4.18Å; F5-Y114 HydrophobicContact CE1-CE2 4.3Å; F5-Y114 HydrophobicContact CG-CD2 4.43Å; F5-Y114 AromaticContact CG-CE2 3.75Å; F5-Y114 HydrophobicContact CG-CE2 3.75Å
6V88.7Confident83.2Confident5 Ų546.1 Ų46.13%0.0326%0.258CS..EExtended strand (participates in β ladder)trans-142.2145.318065.70000111.5F4 I8 R14 W16 C17 V67F4-V6 HydrophobicContact CD1-CG1 4.49Å; F4-V6 HydrophobicContact CE1-CB 3.59Å; F4-V6 HydrophobicContact CE1-CG1 3.45Å; F4-V6 VanDerWaalsContact CE1-CG1 3.45Å; F4-V6 HydrophobicContact CZ-CB 3.57Å; F4-V6 HydrophobicContact CZ-CG1 3.9Å; F4-V6 HydrophobicContact CZ-CG2 4.26Å; V6-I8 HydrophobicContact CB-CG1 4.38Å; V6-I8 HydrophobicContact CG1-CD1 3.89Å; V6-I8 HydrophobicContact CG1-CG1 4.02Å; V6-I8 HydrophobicContact CG2-CD1 3.97Å; V6-I8 HydrophobicContact CG2-CG1 3.54Å; V6-R14 HydrophobicContact CG2-CG 3.89Å; V6-W16 WeakPolarHBondContact CA-O 3.47Å; V6-W16 WeakPolarHBondContact CG2-O 3.45Å; V6-C17 HydrophobicContact CB-CB 4.36Å; V6-C17 HydrophobicContact CG2-CB 4.06Å; V6-V67 HydrophobicContact CG1-CB 3.79Å; V6-V67 HydrophobicContact CG1-CG2 4.3Å; V6-V67 PolarHBondContact N-O 3.48Å; V6-V67 PolarHBondContact O-N 3.43Å
7I89.3Confident83.4Confident0 Ų044.9 Ų44.90%025%0.253CS..EExtended strand (participates in β ladder)trans-113119.9170.3-51.7177.8000107.1F5 L15 W16 L65 F66 F90 F110F5-I7 HydrophobicContact CD1-CG1 4.48Å; F5-I7 HydrophobicContact CE1-CD1 3.91Å; F5-I7 HydrophobicContact CE1-CG1 3.56Å; F5-I7 HydrophobicContact CZ-CD1 4.34Å; F5-I7 HydrophobicContact CZ-CG1 3.97Å; I7-L15 HydrophobicContact CG2-CB 4.32Å; I7-L15 HydrophobicContact CG2-CD1 4.26Å; I7-L15 PolarHBondContact O-N 3Å; I7-W16 HydrophobicContact CB-CB 4.33Å; I7-W16 HydrophobicContact CD1-CB 4.23Å; I7-W16 HydrophobicContact CD1-CE3 4.21Å; I7-W16 HydrophobicContact CG1-CB 4.43Å; I7-W16 HydrophobicContact CG1-CE3 4.38Å; I7-W16 PolarHBondContact N-O 3.46Å; I7-W16 PolarHBondContact O-N 3.12Å; I7-L65 WeakPolarHBondContact CA-O 3.32Å; I7-F66 HydrophobicContact CB-CD1 4.48Å; I7-F66 HydrophobicContact CD1-CD1 3.91Å; I7-F66 HydrophobicContact CD1-CE1 3.66Å; I7-F66 HydrophobicContact CG1-CD1 3.71Å; I7-F66 HydrophobicContact CG1-CE1 3.91Å; I7-F66 HydrophobicContact CG2-CD1 4.17Å; I7-F66 HydrophobicContact CG2-CE1 3.93Å; I7-F66 HydrophobicContact CG2-CZ 4.29Å; I7-F90 HydrophobicContact CD1-CD2 3.42Å; I7-F90 VanDerWaalsContact CD1-CD2 3.42Å; I7-F90 HydrophobicContact CD1-CE2 3.61Å; I7-F90 HydrophobicContact CD1-CG 3.94Å; I7-F90 HydrophobicContact CD1-CZ 4.24Å; I7-F90 HydrophobicContact CG2-CE1 4.28Å; I7-F90 HydrophobicContact CG2-CZ 4.28Å; I7-F110 HydrophobicContact CD1-CD1 4.16Å; I7-F110 HydrophobicContact CD1-CE1 3.69Å; I7-F110 HydrophobicContact CD1-CZ 4.29Å
8I87.3Confident83.3Confident13 Ų1345.3 Ų45.37%0.06725%0.252CS..EExtended strand (participates in β ladder)trans-127.5145.3-178.1-45.4179.1000107.6V6 G12 I13 L33 L65V6-I8 HydrophobicContact CB-CG1 4.38Å; V6-I8 HydrophobicContact CG1-CD1 3.89Å; V6-I8 HydrophobicContact CG1-CG1 4.02Å; V6-I8 HydrophobicContact CG2-CD1 3.97Å; V6-I8 HydrophobicContact CG2-CG1 3.54Å; I8-G12 VanDerWaalsContact CG2-C 3.45Å; I8-I13 CarbonylContact C-O 3.26Å; I8-I13 WeakPolarHBondContact CA-O 3.46Å; I8-I13 WeakPolarHBondContact CG2-O 3.48Å; I8-L33 HydrophobicContact CD1-CD1 4.3Å; I8-L65 PolarHBondContact N-O 3Å; I8-L65 PolarHBondContact O-N 2.98Å
9T85.9Confident82.5Confident17 Ų1747.9 Ų47.910%0.10427%0.271CS..EExtended strand (participates in β ladder)trans-69.1156.1165.668.70000109.8G11 G12 I13 L15 N63 L64 I103T9-G11 PolarHBondContact O-N 3Å; T9-G11 VanDerWaalsContact O-N 3.09Å; T9-G11 PolarHBondContact OG1-N 2.92Å; T9-G12 PolarHBondContact O-N 3.04Å; T9-I13 HydrophobicContact CG2-CB 4.24Å; T9-I13 PolarHBondContact N-O 2.88Å; T9-I13 WeakPolarHBondContact OG1-CB 3.15Å; T9-I13 PolarHBondContact OG1-N 3.39Å; T9-L15 HydrophobicContact CG2-CD1 4.12Å; T9-L15 HydrophobicContact CG2-CD2 3.78Å; T9-L15 HydrophobicContact CG2-CG 3.96Å; T9-N63 CarbonylContact C-O 3.58Å; T9-N63 WeakPolarHBondContact CA-O 3.34Å; T9-L64 HydrophobicContact CG2-CD2 4.16Å; T9-I103 HydrophobicContact CG2-CG2 4.42Å
10K78.7Confident81.3Confident87 Ų8746.5 Ų46.538%0.37827%0.267SS..THydrogen-bonded Turntrans-59-20.7170.9-71.2-177.1-176.7176.50113G12 M58 N60 N63K10-G12 VanDerWaalsContact C-N 3.26Å; K10-G12 PolarHBondContact O-N 3.17Å; K10-M58 VanDerWaalsContact CE-CG 3.49Å; K10-M58 VanDerWaalsContact CE-SD 3.54Å; K10-N60 WeakPolarHBondContact CE-OD1 3.49Å; K10-N60 PolarHBondContact NZ-OD1 2.92Å; K10-N63 HydrophobicContact CB-CB 4.28Å; K10-N63 HydrophobicContact CD-CB 4.05Å; K10-N63 HydrophobicContact CG-CB 4.25Å; K10-N63 PolarHBondContact N-O 3.35Å
11G75.6Confident80.1Confident70 Ų7047.5 Ų47.572%0.72228%0.277SS*.THydrogen-bonded Turntrans-78.60.5171.700000114.8T9T9-G11 PolarHBondContact O-N 3Å; T9-G11 VanDerWaalsContact O-N 3.09Å; T9-G11 PolarHBondContact OG1-N 2.92Å
12G78.7Confident79.7Confident55 Ų5543 Ų4357%0.56726%0.255SS*.SBendtrans88.210.5177.200000115.2I8 T9 K10I8-G12 VanDerWaalsContact CG2-C 3.45Å; T9-G12 PolarHBondContact O-N 3.04Å; K10-G12 VanDerWaalsContact C-N 3.26Å; K10-G12 PolarHBondContact O-N 3.17Å
13I82.9Confident78.8Confident85 Ų8547.9 Ų47.944%0.43628%0.282SS..  trans-90121.2179.4-55.7170.1000109.4I8 T9 L15 I103I8-I13 CarbonylContact C-O 3.26Å; I8-I13 WeakPolarHBondContact CA-O 3.46Å; I8-I13 WeakPolarHBondContact CG2-O 3.48Å; T9-I13 HydrophobicContact CG2-CB 4.24Å; T9-I13 PolarHBondContact N-O 2.88Å; T9-I13 WeakPolarHBondContact OG1-CB 3.15Å; T9-I13 PolarHBondContact OG1-N 3.39Å; I13-L15 PolarHBondContact O-N 3.38Å; I13-I103 HydrophobicContact CB-CG2 4.1Å; I13-I103 HydrophobicContact CD1-CD1 4.37Å; I13-I103 HydrophobicContact CD1-CG2 3.86Å; I13-I103 HydrophobicContact CG2-CG2 3.58Å
14R85.4Confident78Confident155 Ų15550.2 Ų50.259%0.58529%0.293SS*.EExtended strand (participates in β ladder)trans-73.4118.5177.1-178-158.867.1-172-1.8110.5V6V6-R14 HydrophobicContact CG2-CG 3.89Å
15L86Confident77.3Confident16 Ų1650.5 Ų50.58%0.08430%0.295CS..EExtended strand (participates in β ladder)trans-86.5-46.3173.9-57.6-174000111.8I7 T9 I13 L64 F90 L98 I103 Y107I7-L15 HydrophobicContact CG2-CB 4.32Å; I7-L15 HydrophobicContact CG2-CD1 4.26Å; I7-L15 PolarHBondContact O-N 3Å; T9-L15 HydrophobicContact CG2-CD1 4.12Å; T9-L15 HydrophobicContact CG2-CD2 3.78Å; T9-L15 HydrophobicContact CG2-CG 3.96Å; I13-L15 PolarHBondContact O-N 3.38Å; L15-L64 HydrophobicContact CD1-CD2 3.45Å; L15-L64 VanDerWaalsContact CD1-CD2 3.45Å; L15-F90 HydrophobicContact CB-CZ 4.41Å; L15-F90 HydrophobicContact CD1-CE1 4.13Å; L15-F90 HydrophobicContact CD1-CZ 4.07Å; L15-L98 HydrophobicContact CD1-CD2 4.45Å; L15-I103 HydrophobicContact CD2-CG2 3.88Å; L15-Y107 HydrophobicContact CB-CD2 3.98Å; L15-Y107 HydrophobicContact CB-CE2 3.89Å; L15-Y107 HydrophobicContact CD2-CE2 3.76Å; L15-Y107 HydrophobicContact CG-CE2 4.26Å; L15-Y107 WeakPolarHBondContact O-CD2 3.03Å
16W87.6Confident76.4Confident15 Ų1557.4 Ų57.46%0.05732%0.32CS..EExtended strand (participates in β ladder)trans-150.6148.9-176.6-171.180.3000111.5F5 V6 I7 F18 F110 L111 Y114F5-W16 AromaticContact CD1-CE3 3.78Å; F5-W16 HydrophobicContact CD1-CE3 3.78Å; F5-W16 AromaticContact CD1-CZ3 3.39Å; F5-W16 HydrophobicContact CD1-CZ3 3.39Å; F5-W16 AromaticContact CE1-CE3 3.79Å; F5-W16 HydrophobicContact CE1-CE3 3.79Å; F5-W16 AromaticContact CE1-CZ3 3.64Å; F5-W16 HydrophobicContact CE1-CZ3 3.64Å; V6-W16 WeakPolarHBondContact CA-O 3.47Å; V6-W16 WeakPolarHBondContact CG2-O 3.45Å; I7-W16 HydrophobicContact CB-CB 4.33Å; I7-W16 HydrophobicContact CD1-CB 4.23Å; I7-W16 HydrophobicContact CD1-CE3 4.21Å; I7-W16 HydrophobicContact CG1-CB 4.43Å; I7-W16 HydrophobicContact CG1-CE3 4.38Å; I7-W16 PolarHBondContact N-O 3.46Å; I7-W16 PolarHBondContact O-N 3.12Å; W16-F18 HydrophobicContact CH2-CB 3.69Å; W16-F18 HydrophobicContact CH2-CD2 4.1Å; W16-F18 HydrophobicContact CH2-CG 4.37Å; W16-F18 HydrophobicContact CZ2-CB 4.46Å; W16-F18 HydrophobicContact CZ3-CB 4.03Å; W16-F110 AromaticContact CD2-CD1 3.69Å; W16-F110 HydrophobicContact CD2-CD1 3.69Å; W16-F110 HydrophobicContact CD2-CE1 4.49Å; W16-F110 AromaticContact CE2-CD1 3.96Å; W16-F110 AromaticContact CE3-CD1 3.72Å; W16-F110 HydrophobicContact CE3-CD1 3.72Å; W16-F110 HydrophobicContact CE3-CE1 4.08Å; W16-F110 HydrophobicContact CG-CB 4.46Å; W16-F110 HydrophobicContact CG-CD1 4.16Å; W16-F110 HydrophobicContact CH2-CD1 4.34Å; W16-F110 HydrophobicContact CZ2-CD1 4.32Å; W16-F110 HydrophobicContact CZ3-CD1 4.01Å; W16-F110 HydrophobicContact CZ3-CE1 4.2Å; W16-L111 HydrophobicContact CH2-CD1 4.49Å; W16-L111 HydrophobicContact CZ2-CB 4.28Å; W16-L111 HydrophobicContact CZ2-CD1 3.93Å; W16-Y114 AromaticContact CH2-CD1 3.7Å; W16-Y114 HydrophobicContact CH2-CD1 3.7Å; W16-Y114 AromaticContact CH2-CD2 3.66Å; W16-Y114 HydrophobicContact CH2-CD2 3.66Å; W16-Y114 HydrophobicContact CH2-CE1 4.3Å; W16-Y114 HydrophobicContact CH2-CE2 4.25Å; W16-Y114 AromaticContact CH2-CG 3.34Å; W16-Y114 HydrophobicContact CH2-CG 3.34Å; W16-Y114 HydrophobicContact CZ2-CG 4.37Å; W16-Y114 HydrophobicContact CZ3-CD1 4.45Å; W16-Y114 AromaticContact CZ3-CD2 3.58Å; W16-Y114 HydrophobicContact CZ3-CD2 3.58Å; W16-Y114 HydrophobicContact CZ3-CE2 4.11Å; W16-Y114 AromaticContact CZ3-CG 3.78Å; W16-Y114 HydrophobicContact CZ3-CG 3.78Å
17C86.8Confident75.7Confident26 Ų2663.4 Ų63.418%0.17635%0.352CS..EExtended strand (participates in β ladder)trans-145.2143.3171.161.40000111F4 F5 V6F4-C17 HydrophobicContact CE2-CB 4.49Å; F5-C17 WeakPolarHBondContact O-CA 3.29Å; V6-C17 HydrophobicContact CB-CB 4.36Å; V6-C17 HydrophobicContact CG2-CB 4.06Å
18F82Confident75Confident52 Ų5263.8 Ų63.823%0.22835%0.354CS..EExtended strand (participates in β ladder)trans-84.4128.4169.2-175.2-106000109.8F5 W16 G20 L111 Y114F5-F18 HydrophobicContact CB-CB 4.38Å; F5-F18 PolarHBondContact O-N 2.96Å; W16-F18 HydrophobicContact CH2-CB 3.69Å; W16-F18 HydrophobicContact CH2-CD2 4.1Å; W16-F18 HydrophobicContact CH2-CG 4.37Å; W16-F18 HydrophobicContact CZ2-CB 4.46Å; W16-F18 HydrophobicContact CZ3-CB 4.03Å; F18-G20 PolarHBondContact O-N 3.33Å; F18-L111 HydrophobicContact CD2-CD1 3.75Å; F18-L111 HydrophobicContact CE2-CD1 3.81Å; F18-Y114 HydrophobicContact CB-CE1 4.05Å; F18-Y114 HydrophobicContact CB-CE2 4.49Å; F18-Y114 HydrophobicContact CD1-CE1 4.07Å; F18-Y114 AromaticContact CD2-CD1 3.74Å; F18-Y114 HydrophobicContact CD2-CD1 3.74Å; F18-Y114 AromaticContact CD2-CE1 3.34Å; F18-Y114 HydrophobicContact CD2-CE1 3.34Å; F18-Y114 HydrophobicContact CE1-CE1 4.39Å; F18-Y114 HydrophobicContact CE2-CD1 4.18Å; F18-Y114 AromaticContact CE2-CE1 3.74Å; F18-Y114 HydrophobicContact CE2-CE1 3.74Å; F18-Y114 HydrophobicContact CG-CD1 4.28Å; F18-Y114 AromaticContact CG-CE1 3.53Å; F18-Y114 HydrophobicContact CG-CE1 3.53Å; F18-Y114 AromaticContact CG-CZ 3.83Å; F18-Y114 HydrophobicContact CZ-CE1 4.24Å
19P67.7Low74.4Confident96 Ų9664 Ų6462%0.62336%0.356SS*.  trans-73.189.6-174.528.5-33.7000111.9
20G58.8Low74Confident18 Ų1867.4 Ų67.419%0.18637%0.373CS..SBendtrans-95.7159.2142.200000108.7F18 I22F18-G20 PolarHBondContact O-N 3.33Å; G20-I22 WeakPolarHBondContact O-CA 3.19Å; G20-I22 WeakPolarHBondContact O-CG1 3.46Å; G20-I22 PolarHBondContact O-N 2.6Å
21S57.1Low73.8Confident69 Ų6965.9 Ų65.948%0.48337%0.371SS..  trans-46.896.6-174.2-167.80000112.8D23 I24 F25S21-D23 PolarHBondContact O-N 3.27Å; S21-I24 WeakPolarHBondContact O-CB 3.07Å; S21-I24 PolarHBondContact O-N 3.32Å; S21-I24 WeakPolarHBondContact OG-CD1 3.35Å; S21-I24 WeakPolarHBondContact OG-CG1 3.42Å; S21-F25 WeakPolarHBondContact O-CD2 3.28Å
22I59.8Low73.8Confident64 Ų6462.7 Ų62.733%0.32834%0.337SS..Hα-helixtrans-59.4-37.5-165.5-66.1170.6000110.6G20 I24 F25 R26G20-I22 WeakPolarHBondContact O-CA 3.19Å; G20-I22 WeakPolarHBondContact O-CG1 3.46Å; G20-I22 PolarHBondContact O-N 2.6Å; I22-I24 VanDerWaalsContact C-N 3.27Å; I22-I24 PolarHBondContact O-N 3.4Å; I22-F25 PolarHBondContact O-N 3.28Å; I22-F25 VanDerWaalsContact O-N 3.13Å; I22-R26 HydrophobicContact CG2-CG 4.34Å; I22-R26 WeakPolarHBondContact O-CG 3.04Å; I22-R26 PolarHBondContact O-N 3.36Å; I22-R26 VanDerWaalsContact O-N 3.1Å
23D61.9Low73.5Confident113 Ų11362 Ų6260%0.60432%0.321SS*.Hα-helixtrans-65.5-30.8-178.6-64.5-40000112.6S21 F25 R26S21-D23 PolarHBondContact O-N 3.27Å; D23-F25 VanDerWaalsContact C-N 3.29Å; D23-F25 PolarHBondContact O-N 3.11Å; D23-R26 IonicContact OD1-CZ 3.55Å; D23-R26 IonicContact OD1-NE 3.62Å; D23-R26 IonicContact OD1-NH1 3.93Å; D23-R26 PolarHBondContact OD1-NH1 3.49Å; D23-R26 IonicContact OD1-NH2 2.64Å; D23-R26 PolarHBondContact OD1-NH2 3.01Å
24I64.2Low73Confident91 Ų9164.4 Ų64.447%0.46733%0.328SS..Hα-helixtrans-70.4-29.1177.3-56.7-179.6000110.9S21 I22S21-I24 WeakPolarHBondContact O-CB 3.07Å; S21-I24 PolarHBondContact O-N 3.32Å; S21-I24 WeakPolarHBondContact OG-CD1 3.35Å; S21-I24 WeakPolarHBondContact OG-CG1 3.42Å; I22-I24 VanDerWaalsContact C-N 3.27Å; I22-I24 PolarHBondContact O-N 3.4Å
25F69.4Low72.1Confident14 Ų1457.7 Ų57.76%0.06131%0.305CS..Hα-helixtrans-96.7-18-175.4-62.5-74.4000114.4D3 F4 S21 I22 D23 L27 S28 I29D3-F25 HydrophobicContact CB-CE1 4.17Å; D3-F25 HydrophobicContact CB-CZ 3.85Å; F4-F25 HydrophobicContact CB-CD1 4Å; F4-F25 HydrophobicContact CB-CD2 3.98Å; F4-F25 HydrophobicContact CB-CE1 3.98Å; F4-F25 HydrophobicContact CB-CE2 3.97Å; F4-F25 HydrophobicContact CB-CG 4.01Å; F4-F25 HydrophobicContact CB-CZ 3.98Å; F4-F25 HydrophobicContact CD2-CB 4.37Å; F4-F25 AromaticContact CD2-CD2 3.89Å; F4-F25 HydrophobicContact CD2-CD2 3.89Å; F4-F25 HydrophobicContact CD2-CE2 4.48Å; F4-F25 HydrophobicContact CD2-CG 4.16Å; F4-F25 HydrophobicContact CG-CB 4.34Å; F4-F25 HydrophobicContact CG-CD1 4.35Å; F4-F25 HydrophobicContact CG-CD2 4.07Å; F4-F25 AromaticContact CG-CG 3.99Å; F4-F25 HydrophobicContact CG-CG 3.99Å; S21-F25 WeakPolarHBondContact O-CD2 3.28Å; I22-F25 PolarHBondContact O-N 3.28Å; I22-F25 VanDerWaalsContact O-N 3.13Å; D23-F25 VanDerWaalsContact C-N 3.29Å; D23-F25 PolarHBondContact O-N 3.11Å; F25-L27 VanDerWaalsContact C-N 3.3Å; F25-L27 PolarHBondContact O-N 3.4Å; F25-S28 PolarHBondContact O-N 3.05Å; F25-S28 VanDerWaalsContact O-N 3.17Å; F25-I29 HydrophobicContact CB-CD1 3.81Å; F25-I29 HydrophobicContact CB-CG1 4.29Å; F25-I29 WeakPolarHBondContact O-CB 3.18Å; F25-I29 WeakPolarHBondContact O-CD1 3.25Å; F25-I29 VanDerWaalsContact O-CG1 3.23Å; F25-I29 WeakPolarHBondContact O-CG1 3.33Å; F25-I29 PolarHBondContact O-N 3.29Å
26R70.7Confident71.3Confident144 Ų14458.6 Ų58.654%0.54331%0.31SS..Hα-helixtrans-52.3-46-178.7-80.7177.9-173.6173.88.3112.9I22 D23 N30I22-R26 HydrophobicContact CG2-CG 4.34Å; I22-R26 WeakPolarHBondContact O-CG 3.04Å; I22-R26 PolarHBondContact O-N 3.36Å; I22-R26 VanDerWaalsContact O-N 3.1Å; D23-R26 IonicContact OD1-CZ 3.55Å; D23-R26 IonicContact OD1-NE 3.62Å; D23-R26 IonicContact OD1-NH1 3.93Å; D23-R26 PolarHBondContact OD1-NH1 3.49Å; D23-R26 IonicContact OD1-NH2 2.64Å; D23-R26 PolarHBondContact OD1-NH2 3.01Å; R26-N30 VanDerWaalsContact O-CB 3.28Å; R26-N30 WeakPolarHBondContact O-CB 3.41Å; R26-N30 PolarHBondContact O-N 2.76Å; R26-N30 PolarHBondContact O-ND2 3.06Å
27L74Confident70.1Confident132 Ų13264.1 Ų64.169%0.69134%0.339SS*.Hα-helixtrans-65.6-48.5-179.9-173.264.2000111F25 I29 N30 T31F25-L27 VanDerWaalsContact C-N 3.3Å; F25-L27 PolarHBondContact O-N 3.4Å; L27-I29 PolarHBondContact O-N 3.44Å; L27-N30 PolarHBondContact O-N 3.16Å; L27-T31 WeakPolarHBondContact O-CB 3.32Å; L27-T31 PolarHBondContact O-N 3.43Å; L27-T31 PolarHBondContact O-OG1 3.15Å
28S74.6Confident68.5Low7 Ų769 Ų695%0.04936%0.362CS..Hα-helixtrans-62-41.9179.3-540000112.5F25 T31 F32 M54F25-S28 PolarHBondContact O-N 3.05Å; F25-S28 VanDerWaalsContact O-N 3.17Å; S28-T31 PolarHBondContact O-N 3.07Å; S28-F32 VanDerWaalsContact O-CB 3.29Å; S28-F32 WeakPolarHBondContact O-CB 3.35Å; S28-F32 PolarHBondContact O-N 3.37Å; S28-M54 WeakPolarHBondContact O-CE 3.26Å
29I75.6Confident67.2Low19 Ų1970.7 Ų70.710%0.09737%0.371CS..Hα-helixtrans-66.3-43.7176.7-64.2160.2000110.5F4 F25 L27 T31 F32 L33F4-I29 HydrophobicContact CD1-CD1 4.05Å; F4-I29 HydrophobicContact CD1-CG1 4.47Å; F4-I29 HydrophobicContact CE1-CD1 3.2Å; F4-I29 HydrophobicContact CE1-CG1 3.87Å; F4-I29 HydrophobicContact CE2-CD1 4.26Å; F4-I29 HydrophobicContact CZ-CD1 3.32Å; F4-I29 HydrophobicContact CZ-CG1 4.45Å; F25-I29 HydrophobicContact CB-CD1 3.81Å; F25-I29 HydrophobicContact CB-CG1 4.29Å; F25-I29 WeakPolarHBondContact O-CB 3.18Å; F25-I29 WeakPolarHBondContact O-CD1 3.25Å; F25-I29 VanDerWaalsContact O-CG1 3.23Å; F25-I29 WeakPolarHBondContact O-CG1 3.33Å; F25-I29 PolarHBondContact O-N 3.29Å; L27-I29 PolarHBondContact O-N 3.44Å; I29-T31 VanDerWaalsContact C-N 3.29Å; I29-T31 PolarHBondContact O-N 2.78Å; I29-F32 CarbonylContact O-C 3.45Å; I29-F32 PolarHBondContact O-N 2.84Å; I29-L33 HydrophobicContact CG2-CD1 3.82Å; I29-L33 HydrophobicContact CG2-CG 4.08Å; I29-L33 WeakPolarHBondContact O-CB 3.44Å; I29-L33 WeakPolarHBondContact O-CG 3.45Å; I29-L33 PolarHBondContact O-N 3.09Å
30N76.1Confident66.5Low87 Ų8768 Ų6847%0.46535%0.35SS..Hα-helixtrans-64.3-38.3178-73.1-17.2000111.3R26 L27 K34R26-N30 VanDerWaalsContact O-CB 3.28Å; R26-N30 WeakPolarHBondContact O-CB 3.41Å; R26-N30 PolarHBondContact O-N 2.76Å; R26-N30 PolarHBondContact O-ND2 3.06Å; L27-N30 PolarHBondContact O-N 3.16Å; N30-K34 WeakPolarHBondContact O-CB 3.19Å; N30-K34 WeakPolarHBondContact O-CG 3.37Å; N30-K34 PolarHBondContact O-N 3.31Å
31T75.4Confident66Low56 Ų5670.2 Ų70.234%0.34436%0.358SS..Hα-helixtrans-64.3-42.8172.6-57.20000111.1L27 S28 I29 K34 S35 F47L27-T31 WeakPolarHBondContact O-CB 3.32Å; L27-T31 PolarHBondContact O-N 3.43Å; L27-T31 PolarHBondContact O-OG1 3.15Å; S28-T31 PolarHBondContact O-N 3.07Å; I29-T31 VanDerWaalsContact C-N 3.29Å; I29-T31 PolarHBondContact O-N 2.78Å; T31-K34 WeakPolarHBondContact O-CB 3.4Å; T31-K34 PolarHBondContact O-N 2.89Å; T31-S35 PolarHBondContact O-N 2.95Å; T31-F47 HydrophobicContact CG2-CE1 4.26Å; T31-F47 HydrophobicContact CG2-CZ 4.02Å
32F75Confident65.7Low3 Ų368.9 Ų68.91%0.01335%0.351CS..Hα-helixtrans-66.2-41.7176.6170.4-107.3000113.2S28 I29 K34 S35 L36 F47 M54 F56 V67S28-F32 VanDerWaalsContact O-CB 3.29Å; S28-F32 WeakPolarHBondContact O-CB 3.35Å; S28-F32 PolarHBondContact O-N 3.37Å; I29-F32 CarbonylContact O-C 3.45Å; I29-F32 PolarHBondContact O-N 2.84Å; F32-K34 VanDerWaalsContact C-N 3.32Å; F32-S35 WeakPolarHBondContact CA-OG 3.34Å; F32-S35 PolarHBondContact O-N 2.82Å; F32-S35 PolarHBondContact O-OG 3.13Å; F32-L36 HydrophobicContact CD1-CD1 4.16Å; F32-L36 HydrophobicContact CE1-CD1 3.34Å; F32-L36 HydrophobicContact CE1-CG 4.44Å; F32-L36 HydrophobicContact CE2-CD1 4Å; F32-L36 HydrophobicContact CE2-CG 4.35Å; F32-L36 HydrophobicContact CZ-CD1 3.24Å; F32-L36 HydrophobicContact CZ-CG 4.04Å; F32-L36 WeakPolarHBondContact O-CB 3.47Å; F32-L36 PolarHBondContact O-N 2.91Å; F32-F47 HydrophobicContact CB-CD1 3.92Å; F32-F47 HydrophobicContact CB-CE1 4.07Å; F32-F47 HydrophobicContact CD2-CB 3.62Å; F32-F47 AromaticContact CD2-CD1 3.61Å; F32-F47 HydrophobicContact CD2-CD1 3.61Å; F32-F47 HydrophobicContact CD2-CE1 4.47Å; F32-F47 AromaticContact CD2-CG 3.74Å; F32-F47 HydrophobicContact CD2-CG 3.74Å; F32-F47 HydrophobicContact CE2-CB 3.86Å; F32-F47 HydrophobicContact CE2-CG 4.43Å; F32-F47 HydrophobicContact CG-CD1 4.25Å; F32-M54 HydrophobicContact CB-CE 3.85Å; F32-M54 HydrophobicContact CB-SD 3.64Å; F32-M54 HydrophobicContact CD1-SD 4.35Å; F32-M54 HydrophobicContact CD2-CB 4.09Å; F32-M54 HydrophobicContact CD2-SD 4.43Å; F32-M54 HydrophobicContact CE2-CB 4.3Å; F32-M54 HydrophobicContact CG-CB 4.39Å; F32-M54 HydrophobicContact CG-CE 4.5Å; F32-M54 HydrophobicContact CG-SD 3.88Å; F32-F56 HydrophobicContact CE1-CB 4.37Å; F32-F56 AromaticContact CE2-CD1 3.9Å; F32-F56 HydrophobicContact CE2-CD1 3.9Å; F32-F56 HydrophobicContact CE2-CE1 4.45Å; F32-F56 HydrophobicContact CZ-CB 3.81Å; F32-F56 AromaticContact CZ-CD1 3.47Å; F32-F56 HydrophobicContact CZ-CD1 3.47Å; F32-F56 VanDerWaalsContact CZ-CD1 3.47Å; F32-F56 HydrophobicContact CZ-CE1 4.3Å; F32-F56 AromaticContact CZ-CG 3.85Å; F32-F56 HydrophobicContact CZ-CG 3.85Å; F32-V67 HydrophobicContact CD1-CG1 3.95Å; F32-V67 HydrophobicContact CD1-CG2 4.48Å; F32-V67 HydrophobicContact CE1-CB 4.29Å; F32-V67 HydrophobicContact CE1-CG1 3.54Å; F32-V67 HydrophobicContact CE1-CG2 3.69Å; F32-V67 HydrophobicContact CZ-CG1 4.23Å
33L73.5Confident65.2Low41 Ų4167.5 Ų67.522%0.21535%0.352CS..Hα-helixtrans-66.2-38.6175.2-71.7174.8000110.5I8 I29 L36 I37 L65I8-L33 HydrophobicContact CD1-CD1 4.3Å; I29-L33 HydrophobicContact CG2-CD1 3.82Å; I29-L33 HydrophobicContact CG2-CG 4.08Å; I29-L33 WeakPolarHBondContact O-CB 3.44Å; I29-L33 WeakPolarHBondContact O-CG 3.45Å; I29-L33 PolarHBondContact O-N 3.09Å; L33-L36 PolarHBondContact O-N 3.13Å; L33-I37 WeakPolarHBondContact O-CB 3.15Å; L33-I37 WeakPolarHBondContact O-CD1 3.19Å; L33-I37 WeakPolarHBondContact O-CG1 2.9Å; L33-I37 PolarHBondContact O-N 3.4Å; L33-L65 HydrophobicContact CD2-CD2 3.86Å
34K70.6Confident64.9Low134 Ų13472.9 Ų72.958%0.58336%0.364SS*.Hα-helixtrans-61.2-43.6171.4-76.1172.5-177.8-175.70111.3N30 T31 F32 I37 L38N30-K34 WeakPolarHBondContact O-CB 3.19Å; N30-K34 WeakPolarHBondContact O-CG 3.37Å; N30-K34 PolarHBondContact O-N 3.31Å; T31-K34 WeakPolarHBondContact O-CB 3.4Å; T31-K34 PolarHBondContact O-N 2.89Å; F32-K34 VanDerWaalsContact C-N 3.32Å; K34-I37 PolarHBondContact O-N 3.48Å; K34-L38 HydrophobicContact CB-CD1 4.41Å; K34-L38 WeakPolarHBondContact O-CB 3.46Å; K34-L38 WeakPolarHBondContact O-CD1 3.16Å; K34-L38 WeakPolarHBondContact O-CG 3.4Å; K34-L38 PolarHBondContact O-N 3.43Å
35S67.4Low64.9Low15 Ų1572.8 Ų72.811%0.10537%0.372CS..Hα-helixtrans-67.9-36.8176.969.80000112.1T31 F32 I37 L38 E39 F47T31-S35 PolarHBondContact O-N 2.95Å; F32-S35 WeakPolarHBondContact CA-OG 3.34Å; F32-S35 PolarHBondContact O-N 2.82Å; F32-S35 PolarHBondContact O-OG 3.13Å; S35-I37 VanDerWaalsContact C-N 3.32Å; S35-I37 PolarHBondContact O-N 3.31Å; S35-L38 PolarHBondContact O-N 2.57Å; S35-E39 WeakPolarHBondContact O-CA 3.3Å; S35-E39 VanDerWaalsContact O-CB 3.24Å; S35-E39 WeakPolarHBondContact O-CB 3.32Å; S35-E39 PolarHBondContact O-N 3.04Å; S35-F47 VanDerWaalsContact CB-CE2 3.47Å; S35-F47 WeakPolarHBondContact OG-CD2 3.49Å; S35-F47 VanDerWaalsContact OG-CE2 3.29Å; S35-F47 WeakPolarHBondContact OG-CE2 3.4Å
36L68.3Low64.6Low35 Ų3574.3 Ų74.318%0.18338%0.383CS..Hα-helixtrans-61.4-40.7173.5-113.3164.9000112.1F32 L33 F56 L65F32-L36 HydrophobicContact CD1-CD1 4.16Å; F32-L36 HydrophobicContact CE1-CD1 3.34Å; F32-L36 HydrophobicContact CE1-CG 4.44Å; F32-L36 HydrophobicContact CE2-CD1 4Å; F32-L36 HydrophobicContact CE2-CG 4.35Å; F32-L36 HydrophobicContact CZ-CD1 3.24Å; F32-L36 HydrophobicContact CZ-CG 4.04Å; F32-L36 WeakPolarHBondContact O-CB 3.47Å; F32-L36 PolarHBondContact O-N 2.91Å; L33-L36 PolarHBondContact O-N 3.13Å; L36-F56 HydrophobicContact CD1-CD1 4.36Å; L36-F56 HydrophobicContact CD1-CD2 4.45Å; L36-F56 HydrophobicContact CD1-CG 4.29Å; L36-F56 HydrophobicContact CD2-CD2 4.4Å; L36-F56 HydrophobicContact CD2-CE1 4.21Å; L36-F56 HydrophobicContact CD2-CE2 3.84Å; L36-F56 HydrophobicContact CD2-CZ 3.73Å; L36-F56 HydrophobicContact CG-CE1 4.36Å; L36-F56 HydrophobicContact CG-CZ 4.37Å; L36-L65 HydrophobicContact CD1-CD1 4.27Å; L36-L65 HydrophobicContact CD1-CD2 3.79Å
37I62.5Low64.7Low131 Ų13169.7 Ų69.767%0.67237%0.367SS*.Hα-helixtrans-72.8-40177.4-67.4164.4000111.2L33 K34 S35L33-I37 WeakPolarHBondContact O-CB 3.15Å; L33-I37 WeakPolarHBondContact O-CD1 3.19Å; L33-I37 WeakPolarHBondContact O-CG1 2.9Å; L33-I37 PolarHBondContact O-N 3.4Å; K34-I37 PolarHBondContact O-N 3.48Å; S35-I37 VanDerWaalsContact C-N 3.32Å; S35-I37 PolarHBondContact O-N 3.31Å
38L54.9Low64.6Low127 Ų12766.7 Ų66.767%0.66535%0.354SS*.Hα-helixtrans-83.5-38.8-173.4-72.3168.6000113.4K34 S35K34-L38 HydrophobicContact CB-CD1 4.41Å; K34-L38 WeakPolarHBondContact O-CB 3.46Å; K34-L38 WeakPolarHBondContact O-CD1 3.16Å; K34-L38 WeakPolarHBondContact O-CG 3.4Å; K34-L38 PolarHBondContact O-N 3.43Å; S35-L38 PolarHBondContact O-N 2.57Å
39E54.6Low64.5Low88 Ų8867.3 Ų67.341%0.41136%0.358SS..Hα-helixtrans-94.4-16-172-63.5-170.6175.800113.1S35 N41S35-E39 WeakPolarHBondContact O-CA 3.3Å; S35-E39 VanDerWaalsContact O-CB 3.24Å; S35-E39 WeakPolarHBondContact O-CB 3.32Å; S35-E39 PolarHBondContact O-N 3.04Å; E39-N41 HydrophobicContact CB-CB 4.07Å; E39-N41 PolarHBondContact O-N 2.87Å; E39-N41 PolarHBondContact O-OD1 3.37Å; E39-N41 PolarHBondContact OE2-ND2 2.97Å; E39-N41 VanDerWaalsContact OE2-ND2 3.1Å
40E53Low64.4Low39 Ų3973.5 Ų73.518%0.18239%0.391CS..  trans36.331.2-168.5-68.5-168.5-176.300112.6A42 R391 R417E40-A42 VanDerWaalsContact C-N 3.27Å; E40-A42 PolarHBondContact O-N 3.45Å; E40-R391 IonicContact OE1-CZ 2.67Å; E40-R391 IonicContact OE1-NH1 3.46Å; E40-R391 IonicContact OE1-NH2 3.1Å; E40-R391 PolarHBondContact OE1-NH2 2.92Å; E40-R391 IonicContact OE2-CZ 3.23Å; E40-R391 IonicContact OE2-NE 2.59Å; E40-R391 IonicContact OE2-NH2 2.66Å; E40-R391 PolarHBondContact OE2-NH2 3.5Å; E40-R417 IonicContact OE1-NH1 3.45Å
41N47.8Very low64.4Low66 Ų6673 Ų7335%0.35339%0.394SS..  trans-82.288.3-178.9-81.1-22.9000104.9E39 G43 R383E39-N41 HydrophobicContact CB-CB 4.07Å; E39-N41 PolarHBondContact O-N 2.87Å; E39-N41 PolarHBondContact O-OD1 3.37Å; E39-N41 PolarHBondContact OE2-ND2 2.97Å; E39-N41 VanDerWaalsContact OE2-ND2 3.1Å; N41-G43 PolarHBondContact O-N 2.96Å; N41-R383 PolarHBondContact OD1-NH2 3.29Å
42A50.1Low64.5Low40 Ų4073.1 Ų73.133%0.33139%0.388SS..  trans-6413.4158.800000112.1E40 D390E40-A42 VanDerWaalsContact C-N 3.27Å; E40-A42 PolarHBondContact O-N 3.45Å; A42-D390 HydrophobicContact CB-CB 4.07Å; A42-D390 WeakPolarHBondContact CB-OD2 3.38Å
43G49Very low64.9Low35 Ų3573 Ų7336%0.36139%0.388SS..  trans-61.4134.5174.200000110.9N41 S45N41-G43 PolarHBondContact O-N 2.96Å; G43-S45 PolarHBondContact O-N 3.47Å
44R56Low65.3Low227 Ų22771.2 Ų71.286%0.85738%0.379SS*.SBendtrans-66.50.3177.4-62.4178.3178.7179.8-1.9114
45S63.4Low66Low89 Ų8966.1 Ų66.162%0.62236%0.356SS*.SBendtrans-73.4132.5178.349.70000110.2G43 F47G43-S45 PolarHBondContact O-N 3.47Å; S45-F47 PolarHBondContact O-N 3.24Å
46P63.8Low66.9Low45 Ų4567.7 Ų67.729%0.29236%0.361SS..PPolyproline II helixtrans-61.6134.5174.925.4-31.8000110.4V48 A53 M54 K55P46-V48 PolarHBondContact O-N 3.49Å; P46-A53 HydrophobicContact CB-CB 3.91Å; P46-M54 CarbonylContact C-O 3.23Å; P46-M54 VanDerWaalsContact CA-O 3.28Å; P46-M54 WeakPolarHBondContact CA-O 3.19Å; P46-K55 HydrophobicContact CB-CG 3.9Å
47F72.2Confident67.9Low48 Ų4870 Ų7021%0.21137%0.368CS..EExtended strand (participates in β ladder)trans-72.9116.5168.5178.7-102.5000108.4T31 F32 S35 S45 C49 M54T31-F47 HydrophobicContact CG2-CE1 4.26Å; T31-F47 HydrophobicContact CG2-CZ 4.02Å; F32-F47 HydrophobicContact CB-CD1 3.92Å; F32-F47 HydrophobicContact CB-CE1 4.07Å; F32-F47 HydrophobicContact CD2-CB 3.62Å; F32-F47 AromaticContact CD2-CD1 3.61Å; F32-F47 HydrophobicContact CD2-CD1 3.61Å; F32-F47 HydrophobicContact CD2-CE1 4.47Å; F32-F47 AromaticContact CD2-CG 3.74Å; F32-F47 HydrophobicContact CD2-CG 3.74Å; F32-F47 HydrophobicContact CE2-CB 3.86Å; F32-F47 HydrophobicContact CE2-CG 4.43Å; F32-F47 HydrophobicContact CG-CD1 4.25Å; S35-F47 VanDerWaalsContact CB-CE2 3.47Å; S35-F47 WeakPolarHBondContact OG-CD2 3.49Å; S35-F47 VanDerWaalsContact OG-CE2 3.29Å; S35-F47 WeakPolarHBondContact OG-CE2 3.4Å; S45-F47 PolarHBondContact O-N 3.24Å; F47-C49 HydrophobicContact CD1-CB 4.32Å; F47-C49 HydrophobicContact CE1-CB 3.82Å; F47-M54 HydrophobicContact CB-CB 4.49Å; F47-M54 HydrophobicContact CD1-CE 3.8Å; F47-M54 HydrophobicContact CE1-CE 4.1Å; F47-M54 PolarHBondContact N-O 3.35Å; F47-M54 PolarHBondContact O-N 3.28Å
48V73.8Confident68.9Low69 Ų6966.3 Ų66.342%0.41835%0.349SS..EExtended strand (participates in β ladder)trans-96.8119.2-178.7-177.20000109P46 R52P46-V48 PolarHBondContact O-N 3.49Å; V48-R52 WeakPolarHBondContact CA-O 3.32Å
49C71.5Confident70.4Confident20 Ų2061 Ų6114%0.13532%0.321CS..EExtended strand (participates in β ladder)trans-122.6115.5172.8-177.70000107.8F47 S51 R52 M54F47-C49 HydrophobicContact CD1-CB 4.32Å; F47-C49 HydrophobicContact CE1-CB 3.82Å; C49-S51 PolarHBondContact O-N 3.41Å; C49-S51 VanDerWaalsContact O-N 3.14Å; C49-R52 PolarHBondContact N-O 2.85Å; C49-R52 PolarHBondContact O-N 3.16Å; C49-M54 HydrophobicContact CB-CE 3.8Å
50D73Confident71.8Confident148 Ų14857.3 Ų57.379%0.79130%0.304SS*.THydrogen-bonded Turntrans56.1-108-174.4-52.1-37.5000112.6
51S77.4Confident73.2Confident76 Ų7658.1 Ų58.153%0.53131%0.308SS..THydrogen-bonded Turntrans-103.26.4179.668.50000113.4C49 N72C49-S51 PolarHBondContact O-N 3.41Å; C49-S51 VanDerWaalsContact O-N 3.14Å; S51-N72 PolarHBondContact O-N 2.96Å
52R76.9Confident74.9Confident60 Ų6056.3 Ų56.323%0.22630%0.297CS..EExtended strand (participates in β ladder)trans-120.2137.9-170.8-62.4179.7-178128.60.9111.2V48 C49 Y70V48-R52 WeakPolarHBondContact CA-O 3.32Å; C49-R52 PolarHBondContact N-O 2.85Å; C49-R52 PolarHBondContact O-N 3.16Å; R52-Y70 CarbonylContact C-O 3.59Å; R52-Y70 WeakPolarHBondContact CA-O 3.02Å
53A82.4Confident76.4Confident0 Ų058.3 Ų58.30%030%0.302CS..EExtended strand (participates in β ladder)trans-100.8133.9171.400000109P46 A69 Y70 N72P46-A53 HydrophobicContact CB-CB 3.91Å; A53-A69 WeakPolarHBondContact O-CA 3.4Å; A53-Y70 HydrophobicContact CB-CD2 4.11Å; A53-Y70 HydrophobicContact CB-CE1 4.16Å; A53-Y70 HydrophobicContact CB-CE2 3.6Å; A53-Y70 PolarHBondContact N-O 3.44Å; A53-Y70 PolarHBondContact O-N 2.84Å; A53-N72 HydrophobicContact CB-CB 4.13Å
54M83Confident78.3Confident4 Ų456.7 Ų56.72%0.0229%0.285CS..EExtended strand (participates in β ladder)trans-114.9129.9173.4-77.3177.2-88.300109.5S28 F32 P46 F47 C49 A68 A69S28-M54 WeakPolarHBondContact O-CE 3.26Å; F32-M54 HydrophobicContact CB-CE 3.85Å; F32-M54 HydrophobicContact CB-SD 3.64Å; F32-M54 HydrophobicContact CD1-SD 4.35Å; F32-M54 HydrophobicContact CD2-CB 4.09Å; F32-M54 HydrophobicContact CD2-SD 4.43Å; F32-M54 HydrophobicContact CE2-CB 4.3Å; F32-M54 HydrophobicContact CG-CB 4.39Å; F32-M54 HydrophobicContact CG-CE 4.5Å; F32-M54 HydrophobicContact CG-SD 3.88Å; P46-M54 CarbonylContact C-O 3.23Å; P46-M54 VanDerWaalsContact CA-O 3.28Å; P46-M54 WeakPolarHBondContact CA-O 3.19Å; F47-M54 HydrophobicContact CB-CB 4.49Å; F47-M54 HydrophobicContact CD1-CE 3.8Å; F47-M54 HydrophobicContact CE1-CE 4.1Å; F47-M54 PolarHBondContact N-O 3.35Å; F47-M54 PolarHBondContact O-N 3.28Å; C49-M54 HydrophobicContact CB-CE 3.8Å; M54-A68 WeakPolarHBondContact CA-O 3.42Å; M54-A69 HydrophobicContact CG-CB 3.72Å
55K85.9Confident79.8Confident27 Ų2746.5 Ų46.512%0.11725%0.248CC..EExtended strand (participates in β ladder)trans-119.9151.5171.2-75.8-173.2157.2-162.70109.4P46 V67 A68 Y70 V79 D80 L83P46-K55 HydrophobicContact CB-CG 3.9Å; K55-V67 WeakPolarHBondContact O-CA 3.43Å; K55-A68 PolarHBondContact N-O 3.46Å; K55-A68 PolarHBondContact O-N 2.99Å; K55-Y70 HydrophobicContact CB-CE1 4.39Å; K55-Y70 HydrophobicContact CD-CE1 4.16Å; K55-Y70 WeakPolarHBondContact CD-OH 3.49Å; K55-Y70 WeakPolarHBondContact CE-OH 3.34Å; K55-Y70 HydrophobicContact CG-CE1 4.03Å; K55-V79 HydrophobicContact CB-CG1 4.01Å; K55-V79 HydrophobicContact CD-CB 4.26Å; K55-V79 HydrophobicContact CD-CG1 3.98Å; K55-D80 VanDerWaalsContact CD-OD1 3.3Å; K55-D80 WeakPolarHBondContact CD-OD1 3.34Å; K55-D80 IonicContact NZ-OD1 2.99Å; K55-D80 PolarHBondContact NZ-OD1 3.06Å; K55-D80 IonicContact NZ-OD2 3.08Å; K55-D80 PolarHBondContact NZ-OD2 3.32Å; K55-L83 HydrophobicContact CB-CD1 3.98Å
56F86.3Confident81.1Confident47 Ų4742.3 Ų42.321%0.20622%0.218CC..EExtended strand (participates in β ladder)trans-137157.8179.169.3-81.4000112.4F32 L36 L65 F66 V67F32-F56 HydrophobicContact CE1-CB 4.37Å; F32-F56 AromaticContact CE2-CD1 3.9Å; F32-F56 HydrophobicContact CE2-CD1 3.9Å; F32-F56 HydrophobicContact CE2-CE1 4.45Å; F32-F56 HydrophobicContact CZ-CB 3.81Å; F32-F56 AromaticContact CZ-CD1 3.47Å; F32-F56 HydrophobicContact CZ-CD1 3.47Å; F32-F56 VanDerWaalsContact CZ-CD1 3.47Å; F32-F56 HydrophobicContact CZ-CE1 4.3Å; F32-F56 AromaticContact CZ-CG 3.85Å; F32-F56 HydrophobicContact CZ-CG 3.85Å; L36-F56 HydrophobicContact CD1-CD1 4.36Å; L36-F56 HydrophobicContact CD1-CD2 4.45Å; L36-F56 HydrophobicContact CD1-CG 4.29Å; L36-F56 HydrophobicContact CD2-CD2 4.4Å; L36-F56 HydrophobicContact CD2-CE1 4.21Å; L36-F56 HydrophobicContact CD2-CE2 3.84Å; L36-F56 HydrophobicContact CD2-CZ 3.73Å; L36-F56 HydrophobicContact CG-CE1 4.36Å; L36-F56 HydrophobicContact CG-CZ 4.37Å; F56-L65 HydrophobicContact CB-CD1 4.05Å; F56-L65 HydrophobicContact CD2-CD1 3.59Å; F56-L65 HydrophobicContact CE2-CD1 4.45Å; F56-L65 HydrophobicContact CG-CD1 4.16Å; F56-F66 CarbonylContact C-O 3.52Å; F56-F66 WeakPolarHBondContact CA-O 3.42Å; F56-F66 WeakPolarHBondContact CB-O 3.49Å; F56-V67 HydrophobicContact CB-CG2 4.22Å
57Y87.7Confident82.3Confident83 Ų8340.2 Ų40.233%0.32520%0.204SC..EExtended strand (participates in β ladder)trans-129133.6168.7177-91.7000108.2D59 F66 A87Y57-D59 HydrophobicContact CE1-CB 4.39Å; Y57-F66 AromaticContact CD1-CD2 3.99Å; Y57-F66 HydrophobicContact CD1-CD2 3.99Å; Y57-F66 PolarHBondContact N-O 2.89Å; Y57-F66 PolarHBondContact O-N 3.14Å; Y57-A87 HydrophobicContact CD1-CB 3.62Å; Y57-A87 HydrophobicContact CE1-CB 3.56Å
58M84.4Confident83Confident54 Ų5437.9 Ų37.927%0.26619%0.194SC..EExtended strand (participates in β ladder)trans-109123.6-176.6-169.4168.764.100109K10 N60 L65K10-M58 VanDerWaalsContact CE-CG 3.49Å; K10-M58 VanDerWaalsContact CE-SD 3.54Å; M58-N60 VanDerWaalsContact CE-OD1 3.32Å; M58-N60 WeakPolarHBondContact CE-OD1 3.43Å; M58-N60 WeakPolarHBondContact CG-OD1 3.32Å; M58-L65 HydrophobicContact CB-CD1 4.35Å
59D86.1Confident83.6Confident15 Ų1534.7 Ų34.78%0.0818%0.175CC..EExtended strand (participates in β ladder)trans-102.2107.41721801.1000108.5Y57 E61 N63 L64 F66Y57-D59 HydrophobicContact CE1-CB 4.39Å; D59-E61 WeakPolarHBondContact OD1-CB 3.43Å; D59-E61 PolarHBondContact OD1-N 3.3Å; D59-N63 CarbonylContact O-C 3.52Å; D59-N63 VanDerWaalsContact O-CA 3.31Å; D59-N63 WeakPolarHBondContact O-CA 3.37Å; D59-N63 PolarHBondContact O-N 3.19Å; D59-N63 VanDerWaalsContact O-N 3.13Å; D59-L64 HydrophobicContact CB-CB 4.18Å; D59-L64 PolarHBondContact N-O 3.18Å; D59-L64 PolarHBondContact O-N 3.36Å; D59-F66 HydrophobicContact CB-CE2 3.96Å
60N83.6Confident84.3Confident11 Ų1134.2 Ų34.26%0.05917%0.171CC..THydrogen-bonded Turntrans-80.1-19.9-177.6-62.6-35.7000113.1K10 M58 D390 R391 V393 T395K10-N60 WeakPolarHBondContact CE-OD1 3.49Å; K10-N60 PolarHBondContact NZ-OD1 2.92Å; M58-N60 VanDerWaalsContact CE-OD1 3.32Å; M58-N60 WeakPolarHBondContact CE-OD1 3.43Å; M58-N60 WeakPolarHBondContact CG-OD1 3.32Å; N60-D390 PolarHBondContact ND2-O 3.24Å; N60-R391 PolarHBondContact ND2-O 2.89Å; N60-V393 WeakPolarHBondContact CB-O 3.48Å; N60-V393 PolarHBondContact ND2-O 3.07Å; N60-T395 HydrophobicContact CB-CG2 3.76Å
61E82.3Confident84.8Confident56 Ų5631.9 Ų31.926%0.26216%0.155SC..THydrogen-bonded Turntrans-66.1-47.5-179.1-165.5-179.2164.900109.9D59 G394D59-E61 WeakPolarHBondContact OD1-CB 3.43Å; D59-E61 PolarHBondContact OD1-N 3.3Å; E61-G394 WeakPolarHBondContact CA-O 3.2Å; E61-G394 WeakPolarHBondContact CB-O 3.31Å; E61-G394 PolarHBondContact N-O 3.49Å
62F83.5Confident84.9Confident29 Ų2931.5 Ų31.513%0.12715%0.147CC..THydrogen-bonded Turntrans-107.89.7-178.1-59.1-70.5000113.7L64 R91 L98 V99F62-L64 HydrophobicContact CB-CD1 4.05Å; F62-L64 HydrophobicContact CB-CG 3.94Å; F62-L64 PolarHBondContact O-N 3.32Å; F62-R91 HydrophobicContact CD2-CG 3.94Å; F62-R91 HydrophobicContact CE2-CG 3.46Å; F62-R91 VanDerWaalsContact CE2-CG 3.46Å; F62-R91 HydrophobicContact CZ-CG 4.33Å; F62-L98 HydrophobicContact CB-CB 4.22Å; F62-L98 HydrophobicContact CB-CD1 4.2Å; F62-L98 HydrophobicContact CD1-CB 3.44Å; F62-L98 VanDerWaalsContact CD1-CB 3.44Å; F62-L98 HydrophobicContact CD1-CD1 4.37Å; F62-L98 HydrophobicContact CD1-CG 4.49Å; F62-L98 HydrophobicContact CD2-CD1 4.24Å; F62-L98 HydrophobicContact CE1-CB 4Å; F62-L98 HydrophobicContact CG-CB 3.86Å; F62-L98 HydrophobicContact CG-CD1 3.98Å; F62-L98 HydrophobicContact CG-CG 4.46Å; F62-V99 HydrophobicContact CE1-CG2 3.72Å; F62-V99 HydrophobicContact CZ-CG2 4.39Å
63N83.1Confident85Confident81 Ų8135 Ų3543%0.43317%0.174SC..THydrogen-bonded Turntrans52.949.8-177.4-67.7-52.9000113.1T9 K10 D59T9-N63 CarbonylContact C-O 3.58Å; T9-N63 WeakPolarHBondContact CA-O 3.34Å; K10-N63 HydrophobicContact CB-CB 4.28Å; K10-N63 HydrophobicContact CD-CB 4.05Å; K10-N63 HydrophobicContact CG-CB 4.25Å; K10-N63 PolarHBondContact N-O 3.35Å; D59-N63 CarbonylContact O-C 3.52Å; D59-N63 VanDerWaalsContact O-CA 3.31Å; D59-N63 WeakPolarHBondContact O-CA 3.37Å; D59-N63 PolarHBondContact O-N 3.19Å; D59-N63 VanDerWaalsContact O-N 3.13Å
64L88.1Confident84.6Confident1 Ų138.4 Ų38.41%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-110.8152.5179.7-53.2178.8000112T9 L15 D59 F62 F66 F90 L98T9-L64 HydrophobicContact CG2-CD2 4.16Å; L15-L64 HydrophobicContact CD1-CD2 3.45Å; L15-L64 VanDerWaalsContact CD1-CD2 3.45Å; D59-L64 HydrophobicContact CB-CB 4.18Å; D59-L64 PolarHBondContact N-O 3.18Å; D59-L64 PolarHBondContact O-N 3.36Å; F62-L64 HydrophobicContact CB-CD1 4.05Å; F62-L64 HydrophobicContact CB-CG 3.94Å; F62-L64 PolarHBondContact O-N 3.32Å; L64-F66 HydrophobicContact CB-CD2 4.5Å; L64-F66 HydrophobicContact CB-CE2 3.8Å; L64-F66 HydrophobicContact CB-CZ 4.31Å; L64-F66 HydrophobicContact CD1-CE2 4.34Å; L64-F66 HydrophobicContact CD1-CZ 4.1Å; L64-F90 HydrophobicContact CD1-CD1 3.9Å; L64-F90 HydrophobicContact CD1-CE1 3.77Å; L64-L98 HydrophobicContact CD1-CD1 3.96Å; L64-L98 HydrophobicContact CD1-CD2 3.94Å; L64-L98 HydrophobicContact CD2-CD2 4.27Å
65L88Confident84.1Confident14 Ų1446.3 Ų46.37%0.07323%0.229CC..EExtended strand (participates in β ladder)trans-128.9121.3175.4-174.672.4000108.8I7 I8 L33 L36 F56 M58 V67I7-L65 WeakPolarHBondContact CA-O 3.32Å; I8-L65 PolarHBondContact N-O 3Å; I8-L65 PolarHBondContact O-N 2.98Å; L33-L65 HydrophobicContact CD2-CD2 3.86Å; L36-L65 HydrophobicContact CD1-CD1 4.27Å; L36-L65 HydrophobicContact CD1-CD2 3.79Å; F56-L65 HydrophobicContact CB-CD1 4.05Å; F56-L65 HydrophobicContact CD2-CD1 3.59Å; F56-L65 HydrophobicContact CE2-CD1 4.45Å; F56-L65 HydrophobicContact CG-CD1 4.16Å; M58-L65 HydrophobicContact CB-CD1 4.35Å; L65-V67 HydrophobicContact CD2-CG2 3.78Å; L65-V67 HydrophobicContact CG-CG2 3.78Å
66F90.3Very high83.7Confident0 Ų046.1 Ų46.10%023%0.229CC..EExtended strand (participates in β ladder)trans-104.6118.8177.2-60.7-99.3000108.1F5 I7 F56 Y57 D59 L64 L83 I86 A87 F90F5-F66 HydrophobicContact CE2-CB 4.44Å; F5-F66 HydrophobicContact CZ-CB 4.47Å; F5-F66 HydrophobicContact CZ-CD1 4.01Å; I7-F66 HydrophobicContact CB-CD1 4.48Å; I7-F66 HydrophobicContact CD1-CD1 3.91Å; I7-F66 HydrophobicContact CD1-CE1 3.66Å; I7-F66 HydrophobicContact CG1-CD1 3.71Å; I7-F66 HydrophobicContact CG1-CE1 3.91Å; I7-F66 HydrophobicContact CG2-CD1 4.17Å; I7-F66 HydrophobicContact CG2-CE1 3.93Å; I7-F66 HydrophobicContact CG2-CZ 4.29Å; F56-F66 CarbonylContact C-O 3.52Å; F56-F66 WeakPolarHBondContact CA-O 3.42Å; F56-F66 WeakPolarHBondContact CB-O 3.49Å; Y57-F66 AromaticContact CD1-CD2 3.99Å; Y57-F66 HydrophobicContact CD1-CD2 3.99Å; Y57-F66 PolarHBondContact N-O 2.89Å; Y57-F66 PolarHBondContact O-N 3.14Å; D59-F66 HydrophobicContact CB-CE2 3.96Å; L64-F66 HydrophobicContact CB-CD2 4.5Å; L64-F66 HydrophobicContact CB-CE2 3.8Å; L64-F66 HydrophobicContact CB-CZ 4.31Å; L64-F66 HydrophobicContact CD1-CE2 4.34Å; L64-F66 HydrophobicContact CD1-CZ 4.1Å; F66-L83 HydrophobicContact CB-CD2 4.14Å; F66-I86 HydrophobicContact CD1-CG2 4.31Å; F66-A87 HydrophobicContact CD1-CB 4.27Å; F66-A87 HydrophobicContact CD2-CB 3.89Å; F66-A87 HydrophobicContact CE1-CB 4.02Å; F66-A87 HydrophobicContact CE2-CB 3.62Å; F66-A87 HydrophobicContact CG-CB 4.22Å; F66-A87 HydrophobicContact CZ-CB 3.7Å; F66-F90 HydrophobicContact CE1-CB 3.91Å; F66-F90 HydrophobicContact CE1-CD1 4.23Å; F66-F90 HydrophobicContact CE1-CG 4.09Å; F66-F90 HydrophobicContact CZ-CB 4.19Å; F66-F90 HydrophobicContact CZ-CD1 4.06Å; F66-F90 HydrophobicContact CZ-CG 4.33Å
67V88.1Confident83.5Confident1 Ų148.9 Ų48.91%0.00625%0.246CC..EExtended strand (participates in β ladder)trans-121.8127.3-175.3-173.70000109.6F5 V6 F32 K55 F56 L65F5-V67 CarbonylContact C-O 3.2Å; F5-V67 VanDerWaalsContact CA-O 3.28Å; F5-V67 WeakPolarHBondContact CA-O 3.36Å; F5-V67 WeakPolarHBondContact CD2-O 3.3Å; V6-V67 HydrophobicContact CG1-CB 3.79Å; V6-V67 HydrophobicContact CG1-CG2 4.3Å; V6-V67 PolarHBondContact N-O 3.48Å; V6-V67 PolarHBondContact O-N 3.43Å; F32-V67 HydrophobicContact CD1-CG1 3.95Å; F32-V67 HydrophobicContact CD1-CG2 4.48Å; F32-V67 HydrophobicContact CE1-CB 4.29Å; F32-V67 HydrophobicContact CE1-CG1 3.54Å; F32-V67 HydrophobicContact CE1-CG2 3.69Å; F32-V67 HydrophobicContact CZ-CG1 4.23Å; K55-V67 WeakPolarHBondContact O-CA 3.43Å; F56-V67 HydrophobicContact CB-CG2 4.22Å; L65-V67 HydrophobicContact CD2-CG2 3.78Å; L65-V67 HydrophobicContact CG-CG2 3.78Å
68A88.4Confident83.5Confident0 Ų045.9 Ų45.90%023%0.234CC..EExtended strand (participates in β ladder)trans-117.8129.9174.700000110.2L2 F5 M54 K55 V79 L83L2-A68 HydrophobicContact CD1-CB 4.39Å; L2-A68 HydrophobicContact CD2-CB 4.19Å; F5-A68 HydrophobicContact CD2-CB 4.09Å; M54-A68 WeakPolarHBondContact CA-O 3.42Å; K55-A68 PolarHBondContact N-O 3.46Å; K55-A68 PolarHBondContact O-N 2.99Å; A68-V79 HydrophobicContact CB-CG1 4Å; A68-L83 HydrophobicContact CB-CD2 3.9Å; A68-L83 HydrophobicContact CB-CG 4.43Å
69A85.7Confident83.6Confident1 Ų143.3 Ų43.31%0.00822%0.222CC..EExtended strand (participates in β ladder)trans-113.1139.9174.200000111D3 F4 A53 M54D3-A69 PolarHBondContact N-O 3.08Å; F4-A69 HydrophobicContact CB-CB 4.15Å; F4-A69 HydrophobicContact CD1-CB 4.49Å; F4-A69 PolarHBondContact N-O 3.47Å; F4-A69 PolarHBondContact O-N 3.16Å; A53-A69 WeakPolarHBondContact O-CA 3.4Å; M54-A69 HydrophobicContact CG-CB 3.72Å
70Y85.7Confident83.7Confident11 Ų1146.1 Ų46.14%0.04324%0.237CC..EExtended strand (participates in β ladder)trans-149.5163.117956.2-83000110.7L2 R52 A53 K55 N72 L74 L76 V79L2-Y70 HydrophobicContact CD2-CD1 4.24Å; R52-Y70 CarbonylContact C-O 3.59Å; R52-Y70 WeakPolarHBondContact CA-O 3.02Å; A53-Y70 HydrophobicContact CB-CD2 4.11Å; A53-Y70 HydrophobicContact CB-CE1 4.16Å; A53-Y70 HydrophobicContact CB-CE2 3.6Å; A53-Y70 PolarHBondContact N-O 3.44Å; A53-Y70 PolarHBondContact O-N 2.84Å; K55-Y70 HydrophobicContact CB-CE1 4.39Å; K55-Y70 HydrophobicContact CD-CE1 4.16Å; K55-Y70 WeakPolarHBondContact CD-OH 3.49Å; K55-Y70 WeakPolarHBondContact CE-OH 3.34Å; K55-Y70 HydrophobicContact CG-CE1 4.03Å; Y70-N72 PolarHBondContact O-N 3.46Å; Y70-L74 WeakPolarHBondContact CD2-O 3.49Å; Y70-L74 WeakPolarHBondContact CE2-O 3.38Å; Y70-L76 HydrophobicContact CD2-CB 4.36Å; Y70-L76 HydrophobicContact CD2-CD1 3.85Å; Y70-L76 HydrophobicContact CD2-CG 4.01Å; Y70-L76 HydrophobicContact CE2-CB 4.44Å; Y70-L76 HydrophobicContact CG-CD1 3.75Å; Y70-L76 HydrophobicContact CG-CG 4.4Å; Y70-V79 HydrophobicContact CD1-CG2 4.13Å; Y70-V79 HydrophobicContact CE1-CB 4.46Å; Y70-V79 HydrophobicContact CE1-CG1 4.15Å; Y70-V79 HydrophobicContact CE1-CG2 4.07Å
71Q83.9Confident83.9Confident98 Ų9850.3 Ų50.346%0.45826%0.255SS..EExtended strand (participates in β ladder)trans-64.4127.1175.4-59.6-176-2.100110.6D3 V73 L74D3-Q71 WeakPolarHBondContact OD2-CG 3.3Å; D3-Q71 PolarHBondContact OD2-N 3.01Å; Q71-V73 PolarHBondContact O-N 2.75Å; Q71-V73 VanDerWaalsContact O-N 3.14Å; Q71-L74 HydrophobicContact CB-CD1 4.26Å; Q71-L74 HydrophobicContact CB-CG 4.36Å; Q71-L74 WeakPolarHBondContact O-CB 3.46Å; Q71-L74 PolarHBondContact O-N 3.26Å
72N80.2Confident84.4Confident68 Ų6847.7 Ų47.736%0.36424%0.242SC..THydrogen-bonded Turntrans-61.5-26.9-175.6-17129.4000112.9S51 A53 Y70 L74S51-N72 PolarHBondContact O-N 2.96Å; A53-N72 HydrophobicContact CB-CB 4.13Å; Y70-N72 PolarHBondContact O-N 3.46Å; N72-L74 PolarHBondContact O-N 2.71Å
73V78Confident84.8Confident133 Ų13346.4 Ų46.481%0.80624%0.237SC*.THydrogen-bonded Turntrans-62.4-24.2175.7-176.30000111.8Q71Q71-V73 PolarHBondContact O-N 2.75Å; Q71-V73 VanDerWaalsContact O-N 3.14Å
74L74.9Confident85.1Confident73 Ų7345 Ų4538%0.38223%0.231SC..SBendtrans-93.6104.6177-58.2174.8000109.3Y70 Q71 N72 L76Y70-L74 WeakPolarHBondContact CD2-O 3.49Å; Y70-L74 WeakPolarHBondContact CE2-O 3.38Å; Q71-L74 HydrophobicContact CB-CD1 4.26Å; Q71-L74 HydrophobicContact CB-CG 4.36Å; Q71-L74 WeakPolarHBondContact O-CB 3.46Å; Q71-L74 PolarHBondContact O-N 3.26Å; N72-L74 PolarHBondContact O-N 2.71Å; L74-L76 VanDerWaalsContact C-N 3.27Å; L74-L76 HydrophobicContact CB-CD2 3.86Å; L74-L76 HydrophobicContact CB-CG 3.94Å; L74-L76 PolarHBondContact O-N 3.44Å
75Q71.4Confident85.3Confident170 Ų17047.2 Ų47.279%0.79424%0.243SC*.  trans-72.483.3168.8-69-177.5-9.600109.9N77Q75-N77 PolarHBondContact O-N 2.86Å; Q75-N77 VanDerWaalsContact O-N 3.14Å
76L78.5Confident85.5Confident22 Ų2246.6 Ų46.612%0.11524%0.24CC..  trans-83.186.1-179.7-57.2-178.7000110.3L2 Y70 L74 Y78 V79L2-L76 HydrophobicContact CD2-CD1 4.23Å; Y70-L76 HydrophobicContact CD2-CB 4.36Å; Y70-L76 HydrophobicContact CD2-CD1 3.85Å; Y70-L76 HydrophobicContact CD2-CG 4.01Å; Y70-L76 HydrophobicContact CE2-CB 4.44Å; Y70-L76 HydrophobicContact CG-CD1 3.75Å; Y70-L76 HydrophobicContact CG-CG 4.4Å; L74-L76 VanDerWaalsContact C-N 3.27Å; L74-L76 HydrophobicContact CB-CD2 3.86Å; L74-L76 HydrophobicContact CB-CG 3.94Å; L74-L76 PolarHBondContact O-N 3.44Å; L76-Y78 HydrophobicContact CB-CD1 4.22Å; L76-Y78 HydrophobicContact CB-CE1 3.88Å; L76-Y78 HydrophobicContact CD1-CE1 4.37Å; L76-Y78 HydrophobicContact CD2-CE1 3.59Å; L76-Y78 HydrophobicContact CG-CE1 4.14Å; L76-Y78 PolarHBondContact O-N 2.88Å; L76-Y78 VanDerWaalsContact O-N 3.1Å; L76-V79 HydrophobicContact CB-CG2 3.49Å; L76-V79 VanDerWaalsContact CB-CG2 3.49Å; L76-V79 HydrophobicContact CD1-CG2 4.16Å; L76-V79 HydrophobicContact CG-CG2 4.48Å; L76-V79 WeakPolarHBondContact O-CG2 3.36Å; L76-V79 PolarHBondContact O-N 2.83Å
77N81.2Confident85.5Confident106 Ų10646.8 Ų46.857%0.56724%0.241SC*.THydrogen-bonded Turntrans-65.2-11.8179.9-63.9-15.4000114Q75 F125Q75-N77 PolarHBondContact O-N 2.86Å; Q75-N77 VanDerWaalsContact O-N 3.14Å; N77-F125 HydrophobicContact CB-CE1 4.47Å; N77-F125 HydrophobicContact CB-CE2 3.71Å; N77-F125 HydrophobicContact CB-CZ 3.56Å
78Y87.5Confident85.6Confident19 Ų1949.9 Ų49.98%0.07526%0.258CS..THydrogen-bonded Turntrans-84.6-12.1178.164.3-97.9000113.9M1 L76 D80 K81 F82 L118 E122 F125M1-Y78 PolarHBondContact N-OH 3.11Å; L76-Y78 HydrophobicContact CB-CD1 4.22Å; L76-Y78 HydrophobicContact CB-CE1 3.88Å; L76-Y78 HydrophobicContact CD1-CE1 4.37Å; L76-Y78 HydrophobicContact CD2-CE1 3.59Å; L76-Y78 HydrophobicContact CG-CE1 4.14Å; L76-Y78 PolarHBondContact O-N 2.88Å; L76-Y78 VanDerWaalsContact O-N 3.1Å; Y78-D80 VanDerWaalsContact C-N 3.34Å; Y78-D80 PolarHBondContact O-N 3.11Å; Y78-K81 PolarHBondContact O-N 2.92Å; Y78-F82 HydrophobicContact CD2-CB 4.5Å; Y78-F82 WeakPolarHBondContact O-CB 3.48Å; Y78-F82 PolarHBondContact O-N 2.77Å; Y78-L118 HydrophobicContact CE2-CD1 4.36Å; Y78-E122 HydrophobicContact CE1-CG 4.42Å; Y78-E122 HydrophobicContact CE2-CG 3.9Å; Y78-E122 PolarHBondContact OH-OE1 3.07Å; Y78-F125 HydrophobicContact CD1-CB 4.47Å; Y78-F125 HydrophobicContact CD1-CD1 4.38Å; Y78-F125 HydrophobicContact CD1-CG 4.34Å
79V87.8Confident85.7Confident0 Ų054.1 Ų54.10%028%0.278CS..Hα-helixtrans-62.6-40-171.6176.40000112.1L2 K55 A68 Y70 L76 F82 L83L2-V79 HydrophobicContact CD2-CG2 3.94Å; K55-V79 HydrophobicContact CB-CG1 4.01Å; K55-V79 HydrophobicContact CD-CB 4.26Å; K55-V79 HydrophobicContact CD-CG1 3.98Å; A68-V79 HydrophobicContact CB-CG1 4Å; Y70-V79 HydrophobicContact CD1-CG2 4.13Å; Y70-V79 HydrophobicContact CE1-CB 4.46Å; Y70-V79 HydrophobicContact CE1-CG1 4.15Å; Y70-V79 HydrophobicContact CE1-CG2 4.07Å; L76-V79 HydrophobicContact CB-CG2 3.49Å; L76-V79 VanDerWaalsContact CB-CG2 3.49Å; L76-V79 HydrophobicContact CD1-CG2 4.16Å; L76-V79 HydrophobicContact CG-CG2 4.48Å; L76-V79 WeakPolarHBondContact O-CG2 3.36Å; L76-V79 PolarHBondContact O-N 2.83Å; V79-F82 PolarHBondContact O-N 3.36Å; V79-L83 HydrophobicContact CG1-CD1 4Å; V79-L83 HydrophobicContact CG1-CG 4.21Å; V79-L83 WeakPolarHBondContact O-CB 3.22Å; V79-L83 VanDerWaalsContact O-CG 3.28Å; V79-L83 WeakPolarHBondContact O-CG 3.28Å; V79-L83 PolarHBondContact O-N 2.98Å
80D86.6Confident86Confident75 Ų7554.1 Ų54.140%0.40128%0.277SS..Hα-helixtrans-64.2-45.3-179.7-60.7-34000111K55 Y78 L83 T84K55-D80 VanDerWaalsContact CD-OD1 3.3Å; K55-D80 WeakPolarHBondContact CD-OD1 3.34Å; K55-D80 IonicContact NZ-OD1 2.99Å; K55-D80 PolarHBondContact NZ-OD1 3.06Å; K55-D80 IonicContact NZ-OD2 3.08Å; K55-D80 PolarHBondContact NZ-OD2 3.32Å; Y78-D80 VanDerWaalsContact C-N 3.34Å; Y78-D80 PolarHBondContact O-N 3.11Å; D80-L83 PolarHBondContact O-N 3.17Å; D80-T84 PolarHBondContact O-N 3.2Å; D80-T84 VanDerWaalsContact O-N 3.09Å; D80-T84 PolarHBondContact O-OG1 2.88Å
81K89.5Confident86Confident99 Ų9956.9 Ų56.943%0.4329%0.288SS..Hα-helixtrans-62-46.3175.2-175.3-178.6179.2-177.30111.1Y78 L83 T84 D85 E124Y78-K81 PolarHBondContact O-N 2.92Å; K81-L83 VanDerWaalsContact C-N 3.32Å; K81-L83 PolarHBondContact O-N 2.88Å; K81-T84 PolarHBondContact O-N 3.05Å; K81-D85 WeakPolarHBondContact CE-OD2 3.16Å; K81-D85 WeakPolarHBondContact O-CB 3.39Å; K81-D85 VanDerWaalsContact O-CG 3.32Å; K81-D85 PolarHBondContact O-N 2.86Å; K81-E124 IonicContact NZ-OE2 2.96Å; K81-E124 PolarHBondContact NZ-OE2 3.22Å
82F92.5Very high86.2Confident0 Ų056.9 Ų56.90%029%0.291CS..Hα-helixtrans-56.8-45.2176.8169.1-101.4000112.1L2 F5 Y78 V79 T84 D85 I86 Y114 T117 L118 T121L2-F82 HydrophobicContact CD1-CD1 3.76Å; L2-F82 HydrophobicContact CD1-CE1 3.51Å; L2-F82 HydrophobicContact CD1-CZ 4.16Å; F5-F82 AromaticContact CD2-CE1 3.79Å; F5-F82 HydrophobicContact CD2-CE1 3.79Å; F5-F82 HydrophobicContact CD2-CZ 4.41Å; F5-F82 AromaticContact CE2-CE1 3.76Å; F5-F82 HydrophobicContact CE2-CE1 3.76Å; F5-F82 HydrophobicContact CE2-CZ 4.32Å; Y78-F82 HydrophobicContact CD2-CB 4.5Å; Y78-F82 WeakPolarHBondContact O-CB 3.48Å; Y78-F82 PolarHBondContact O-N 2.77Å; V79-F82 PolarHBondContact O-N 3.36Å; F82-T84 VanDerWaalsContact C-N 3.34Å; F82-T84 PolarHBondContact O-N 2.89Å; F82-D85 PolarHBondContact O-N 3.01Å; F82-I86 HydrophobicContact CE1-CG2 4.3Å; F82-I86 HydrophobicContact CE2-CB 4.21Å; F82-I86 HydrophobicContact CE2-CD1 4.46Å; F82-I86 HydrophobicContact CE2-CG1 4.37Å; F82-I86 HydrophobicContact CZ-CB 4.17Å; F82-I86 HydrophobicContact CZ-CG1 4.13Å; F82-I86 HydrophobicContact CZ-CG2 4.33Å; F82-I86 VanDerWaalsContact O-CB 3.27Å; F82-I86 WeakPolarHBondContact O-CB 3.45Å; F82-I86 WeakPolarHBondContact O-CG2 3.4Å; F82-I86 PolarHBondContact O-N 3.1Å; F82-Y114 HydrophobicContact CE1-CE2 4.3Å; F82-Y114 HydrophobicContact CE2-CE2 4.48Å; F82-Y114 AromaticContact CZ-CD2 3.83Å; F82-Y114 HydrophobicContact CZ-CD2 3.83Å; F82-Y114 AromaticContact CZ-CE2 3.56Å; F82-Y114 HydrophobicContact CZ-CE2 3.56Å; F82-T117 HydrophobicContact CD2-CG2 4.21Å; F82-T117 HydrophobicContact CE2-CG2 4.25Å; F82-L118 HydrophobicContact CD2-CB 4.39Å; F82-L118 HydrophobicContact CD2-CD1 4.1Å; F82-L118 HydrophobicContact CE2-CB 3.81Å; F82-L118 HydrophobicContact CE2-CD1 4.02Å; F82-L118 HydrophobicContact CZ-CB 4.48Å; F82-L118 HydrophobicContact CZ-CD1 4.36Å; F82-T121 HydrophobicContact CB-CG2 4.29Å; F82-T121 HydrophobicContact CD2-CG2 4.46Å
83L91Very high86.5Confident2 Ų257.5 Ų57.51%0.0129%0.29CS..Hα-helixtrans-62.8-38177.9-74175.2000112.6F5 K55 F66 A68 V79 D80 K81 I86 A87F5-L83 HydrophobicContact CD2-CD2 4.36Å; F5-L83 HydrophobicContact CE2-CD2 3.8Å; K55-L83 HydrophobicContact CB-CD1 3.98Å; F66-L83 HydrophobicContact CB-CD2 4.14Å; A68-L83 HydrophobicContact CB-CD2 3.9Å; A68-L83 HydrophobicContact CB-CG 4.43Å; V79-L83 HydrophobicContact CG1-CD1 4Å; V79-L83 HydrophobicContact CG1-CG 4.21Å; V79-L83 WeakPolarHBondContact O-CB 3.22Å; V79-L83 VanDerWaalsContact O-CG 3.28Å; V79-L83 WeakPolarHBondContact O-CG 3.28Å; V79-L83 PolarHBondContact O-N 2.98Å; D80-L83 PolarHBondContact O-N 3.17Å; K81-L83 VanDerWaalsContact C-N 3.32Å; K81-L83 PolarHBondContact O-N 2.88Å; L83-I86 WeakPolarHBondContact O-CG2 3.43Å; L83-A87 VanDerWaalsContact O-CB 3.24Å; L83-A87 WeakPolarHBondContact O-CB 3.46Å; L83-A87 PolarHBondContact O-N 2.75Å
84T89.4Confident87Confident52 Ų5251.6 Ų51.632%0.31925%0.254SS..Hα-helixtrans-68.9-48.4174.7-55.70000111.7D80 K81 F82 I86 A87 L88D80-T84 PolarHBondContact O-N 3.2Å; D80-T84 VanDerWaalsContact O-N 3.09Å; D80-T84 PolarHBondContact O-OG1 2.88Å; K81-T84 PolarHBondContact O-N 3.05Å; F82-T84 VanDerWaalsContact C-N 3.34Å; F82-T84 PolarHBondContact O-N 2.89Å; T84-I86 PolarHBondContact O-N 2.73Å; T84-A87 PolarHBondContact O-N 2.88Å; T84-L88 HydrophobicContact CG2-CD1 4.35Å; T84-L88 WeakPolarHBondContact O-CG 3.44Å; T84-L88 PolarHBondContact O-N 3.14Å; T84-L88 VanDerWaalsContact O-N 3.1Å
85D91.7Very high87.4Confident48 Ų4853.2 Ų53.226%0.25726%0.257SS..Hα-helixtrans-64.2-44.1-177.7-68.2-14.3000111.1K81 F82 A87 L88 E89 T117K81-D85 WeakPolarHBondContact CE-OD2 3.16Å; K81-D85 WeakPolarHBondContact O-CB 3.39Å; K81-D85 VanDerWaalsContact O-CG 3.32Å; K81-D85 PolarHBondContact O-N 2.86Å; F82-D85 PolarHBondContact O-N 3.01Å; D85-A87 VanDerWaalsContact C-N 3.32Å; D85-A87 PolarHBondContact O-N 3.22Å; D85-L88 PolarHBondContact O-N 3.1Å; D85-E89 WeakPolarHBondContact O-CG 3.43Å; D85-E89 PolarHBondContact O-N 3.32Å; D85-T117 HydrophobicContact CB-CG2 3.95Å
86I92.5Very high87.9Confident0 Ų051.3 Ų51.30%025%0.253CS..Hα-helixtrans-67.5-32.9179.6-161.761.1000112.2F5 F66 F82 L83 T84 F90 F110 Y114 T117F5-I86 HydrophobicContact CE1-CG1 4.44Å; F5-I86 HydrophobicContact CE2-CG2 3.93Å; F5-I86 HydrophobicContact CZ-CG1 3.92Å; F5-I86 HydrophobicContact CZ-CG2 3.69Å; F66-I86 HydrophobicContact CD1-CG2 4.31Å; F82-I86 HydrophobicContact CE1-CG2 4.3Å; F82-I86 HydrophobicContact CE2-CB 4.21Å; F82-I86 HydrophobicContact CE2-CD1 4.46Å; F82-I86 HydrophobicContact CE2-CG1 4.37Å; F82-I86 HydrophobicContact CZ-CB 4.17Å; F82-I86 HydrophobicContact CZ-CG1 4.13Å; F82-I86 HydrophobicContact CZ-CG2 4.33Å; F82-I86 VanDerWaalsContact O-CB 3.27Å; F82-I86 WeakPolarHBondContact O-CB 3.45Å; F82-I86 WeakPolarHBondContact O-CG2 3.4Å; F82-I86 PolarHBondContact O-N 3.1Å; L83-I86 WeakPolarHBondContact O-CG2 3.43Å; T84-I86 PolarHBondContact O-N 2.73Å; I86-F90 VanDerWaalsContact O-CB 3.29Å; I86-F90 WeakPolarHBondContact O-CB 3.25Å; I86-F90 PolarHBondContact O-N 2.82Å; I86-F110 HydrophobicContact CD1-CE1 3.78Å; I86-F110 HydrophobicContact CD1-CE2 4.26Å; I86-F110 HydrophobicContact CD1-CZ 3.33Å; I86-F110 HydrophobicContact CG1-CE1 3.94Å; I86-F110 HydrophobicContact CG1-CZ 3.64Å; I86-Y114 HydrophobicContact CD1-CD2 4.39Å; I86-T117 HydrophobicContact CB-CG2 4.42Å; I86-T117 HydrophobicContact CD1-CG2 4.23Å
87A90.7Very high88.1Confident4 Ų454.8 Ų54.83%0.03326%0.264CS..Hα-helixtrans-67.6-42175.700000111.4Y57 F66 L83 T84 D85 F90 R91Y57-A87 HydrophobicContact CD1-CB 3.62Å; Y57-A87 HydrophobicContact CE1-CB 3.56Å; F66-A87 HydrophobicContact CD1-CB 4.27Å; F66-A87 HydrophobicContact CD2-CB 3.89Å; F66-A87 HydrophobicContact CE1-CB 4.02Å; F66-A87 HydrophobicContact CE2-CB 3.62Å; F66-A87 HydrophobicContact CG-CB 4.22Å; F66-A87 HydrophobicContact CZ-CB 3.7Å; L83-A87 VanDerWaalsContact O-CB 3.24Å; L83-A87 WeakPolarHBondContact O-CB 3.46Å; L83-A87 PolarHBondContact O-N 2.75Å; T84-A87 PolarHBondContact O-N 2.88Å; D85-A87 VanDerWaalsContact C-N 3.32Å; D85-A87 PolarHBondContact O-N 3.22Å; A87-F90 PolarHBondContact O-N 3.15Å; A87-R91 WeakPolarHBondContact O-CB 3.33Å; A87-R91 PolarHBondContact O-N 3.43Å
88L90.2Very high88.1Confident67 Ų6750.4 Ų50.435%0.35124%0.241SC..Hα-helixtrans-62.5-47.4175.2-69.2171.2000111.7T84 D85 F90 R91 D92T84-L88 HydrophobicContact CG2-CD1 4.35Å; T84-L88 WeakPolarHBondContact O-CG 3.44Å; T84-L88 PolarHBondContact O-N 3.14Å; T84-L88 VanDerWaalsContact O-N 3.1Å; D85-L88 PolarHBondContact O-N 3.1Å; L88-F90 PolarHBondContact O-N 3.35Å; L88-R91 PolarHBondContact O-N 2.95Å; L88-D92 WeakPolarHBondContact O-CB 3.42Å; L88-D92 PolarHBondContact O-N 2.85Å
89E91.2Very high87.7Confident89 Ų8953.3 Ų53.342%0.41626%0.26SS..Hα-helixtrans-62.3-41.4177.6-70.4-71.4169.400112.1D85 K93 I113D85-E89 WeakPolarHBondContact O-CG 3.43Å; D85-E89 PolarHBondContact O-N 3.32Å; E89-K93 WeakPolarHBondContact O-CB 3.46Å; E89-K93 PolarHBondContact O-N 3.07Å; E89-K93 VanDerWaalsContact O-N 3.09Å; E89-I113 HydrophobicContact CB-CG2 3.88Å; E89-I113 HydrophobicContact CG-CG2 4.38Å
90F91.1Very high87.3Confident0 Ų059.4 Ų59.40%029%0.293CS..Hα-helixtrans-63.9-45.3176.7-171.5-93.9000111.4I7 L15 L64 F66 I86 A87 L88 Y94 L98 Y107 F110I7-F90 HydrophobicContact CD1-CD2 3.42Å; I7-F90 VanDerWaalsContact CD1-CD2 3.42Å; I7-F90 HydrophobicContact CD1-CE2 3.61Å; I7-F90 HydrophobicContact CD1-CG 3.94Å; I7-F90 HydrophobicContact CD1-CZ 4.24Å; I7-F90 HydrophobicContact CG2-CE1 4.28Å; I7-F90 HydrophobicContact CG2-CZ 4.28Å; L15-F90 HydrophobicContact CB-CZ 4.41Å; L15-F90 HydrophobicContact CD1-CE1 4.13Å; L15-F90 HydrophobicContact CD1-CZ 4.07Å; L64-F90 HydrophobicContact CD1-CD1 3.9Å; L64-F90 HydrophobicContact CD1-CE1 3.77Å; F66-F90 HydrophobicContact CE1-CB 3.91Å; F66-F90 HydrophobicContact CE1-CD1 4.23Å; F66-F90 HydrophobicContact CE1-CG 4.09Å; F66-F90 HydrophobicContact CZ-CB 4.19Å; F66-F90 HydrophobicContact CZ-CD1 4.06Å; F66-F90 HydrophobicContact CZ-CG 4.33Å; I86-F90 VanDerWaalsContact O-CB 3.29Å; I86-F90 WeakPolarHBondContact O-CB 3.25Å; I86-F90 PolarHBondContact O-N 2.82Å; A87-F90 PolarHBondContact O-N 3.15Å; L88-F90 PolarHBondContact O-N 3.35Å; F90-Y94 HydrophobicContact CD1-CD2 4.4Å; F90-Y94 AromaticContact CD2-CD2 3.7Å; F90-Y94 HydrophobicContact CD2-CD2 3.7Å; F90-Y94 AromaticContact CD2-CE2 3.9Å; F90-Y94 HydrophobicContact CD2-CE2 3.9Å; F90-Y94 HydrophobicContact CE1-CD2 4.32Å; F90-Y94 AromaticContact CE2-CD2 3.6Å; F90-Y94 HydrophobicContact CE2-CD2 3.6Å; F90-Y94 AromaticContact CE2-CE2 3.76Å; F90-Y94 HydrophobicContact CE2-CE2 3.76Å; F90-Y94 HydrophobicContact CG-CD2 4.11Å; F90-Y94 AromaticContact CZ-CD2 3.93Å; F90-Y94 HydrophobicContact CZ-CD2 3.93Å; F90-Y94 HydrophobicContact CZ-CE2 4.46Å; F90-Y94 WeakPolarHBondContact O-CD2 3.5Å; F90-Y94 PolarHBondContact O-N 2.92Å; F90-L98 HydrophobicContact CD1-CD1 4.31Å; F90-L98 HydrophobicContact CE1-CD1 4.24Å; F90-L98 HydrophobicContact CE1-CD2 4.24Å; F90-Y107 HydrophobicContact CE1-CE1 4.43Å; F90-Y107 AromaticContact CE2-CD1 3.84Å; F90-Y107 HydrophobicContact CE2-CD1 3.84Å; F90-Y107 HydrophobicContact CE2-CE1 4.42Å; F90-Y107 HydrophobicContact CE2-CG 4.4Å; F90-Y107 AromaticContact CZ-CD1 3.55Å; F90-Y107 HydrophobicContact CZ-CD1 3.55Å; F90-Y107 AromaticContact CZ-CE1 3.7Å; F90-Y107 HydrophobicContact CZ-CE1 3.7Å; F90-Y107 HydrophobicContact CZ-CG 4.26Å; F90-F110 HydrophobicContact CB-CE2 3.76Å; F90-F110 HydrophobicContact CB-CZ 3.76Å; F90-F110 HydrophobicContact CD2-CD1 4.04Å; F90-F110 AromaticContact CD2-CD2 3.71Å; F90-F110 HydrophobicContact CD2-CD2 3.71Å; F90-F110 AromaticContact CD2-CE1 3.92Å; F90-F110 HydrophobicContact CD2-CE1 3.92Å; F90-F110 AromaticContact CD2-CE2 3.58Å; F90-F110 HydrophobicContact CD2-CE2 3.58Å; F90-F110 AromaticContact CD2-CG 3.92Å; F90-F110 HydrophobicContact CD2-CG 3.92Å; F90-F110 AromaticContact CD2-CZ 3.66Å; F90-F110 HydrophobicContact CD2-CZ 3.66Å; F90-F110 HydrophobicContact CE2-CD1 4.47Å; F90-F110 HydrophobicContact CE2-CD2 4.43Å; F90-F110 HydrophobicContact CE2-CG 4.32Å; F90-F110 HydrophobicContact CG-CE2 4.16Å; F90-F110 HydrophobicContact CG-CZ 4.2Å
91R86Confident86.6Confident70 Ų7062.6 Ų62.626%0.26431%0.305SS..Hα-helixtrans-59.6-51.3176.7-178.4-167.468.9-172-4.3110.9F62 A87 L88 K93 Y94 K95F62-R91 HydrophobicContact CD2-CG 3.94Å; F62-R91 HydrophobicContact CE2-CG 3.46Å; F62-R91 VanDerWaalsContact CE2-CG 3.46Å; F62-R91 HydrophobicContact CZ-CG 4.33Å; A87-R91 WeakPolarHBondContact O-CB 3.33Å; A87-R91 PolarHBondContact O-N 3.43Å; L88-R91 PolarHBondContact O-N 2.95Å; R91-K93 VanDerWaalsContact C-N 3.29Å; R91-K93 PolarHBondContact O-N 3.26Å; R91-Y94 PolarHBondContact O-N 3.46Å; R91-K95 VanDerWaalsContact O-CA 3.25Å; R91-K95 WeakPolarHBondContact O-CA 3.25Å; R91-K95 VanDerWaalsContact O-CB 3.27Å; R91-K95 WeakPolarHBondContact O-CB 3.36Å; R91-K95 PolarHBondContact O-N 3.37Å
92D87.4Confident85.8Confident98 Ų9860.8 Ų60.852%0.52430%0.3SS..Hα-helixtrans-66.7-34.9-172.6-68.7-4.4000111.2L88L88-D92 WeakPolarHBondContact O-CB 3.42Å; L88-D92 PolarHBondContact O-N 2.85Å
93K88Confident84.8Confident80 Ų8064.1 Ų64.135%0.34832%0.317SS..Hα-helixtrans-72-45.6174.5-179.6164.1179171.90113.5E89 R91 E109 I113E89-K93 WeakPolarHBondContact O-CB 3.46Å; E89-K93 PolarHBondContact O-N 3.07Å; E89-K93 VanDerWaalsContact O-N 3.09Å; R91-K93 VanDerWaalsContact C-N 3.29Å; R91-K93 PolarHBondContact O-N 3.26Å; K93-E109 VanDerWaalsContact NZ-CB 3.31Å; K93-E109 PolarHBondContact NZ-O 2.85Å; K93-E109 IonicContact NZ-OE2 3.99Å; K93-E109 PolarHBondContact NZ-OE2 3.29Å; K93-I113 HydrophobicContact CD-CD1 3.22Å; K93-I113 HydrophobicContact CG-CD1 4.49Å
94Y87.6Confident83.8Confident10 Ų1070.5 Ų70.54%0.03936%0.356CS..Hα-helixtrans-103.411.1-171.1-62.7-69.6000114.2F90 R91 N96 R97 L98 Y107 F110F90-Y94 HydrophobicContact CD1-CD2 4.4Å; F90-Y94 AromaticContact CD2-CD2 3.7Å; F90-Y94 HydrophobicContact CD2-CD2 3.7Å; F90-Y94 AromaticContact CD2-CE2 3.9Å; F90-Y94 HydrophobicContact CD2-CE2 3.9Å; F90-Y94 HydrophobicContact CE1-CD2 4.32Å; F90-Y94 AromaticContact CE2-CD2 3.6Å; F90-Y94 HydrophobicContact CE2-CD2 3.6Å; F90-Y94 AromaticContact CE2-CE2 3.76Å; F90-Y94 HydrophobicContact CE2-CE2 3.76Å; F90-Y94 HydrophobicContact CG-CD2 4.11Å; F90-Y94 AromaticContact CZ-CD2 3.93Å; F90-Y94 HydrophobicContact CZ-CD2 3.93Å; F90-Y94 HydrophobicContact CZ-CE2 4.46Å; F90-Y94 WeakPolarHBondContact O-CD2 3.5Å; F90-Y94 PolarHBondContact O-N 2.92Å; R91-Y94 PolarHBondContact O-N 3.46Å; Y94-N96 VanDerWaalsContact C-N 3.29Å; Y94-N96 PolarHBondContact O-N 3.21Å; Y94-N96 VanDerWaalsContact O-N 3.11Å; Y94-R97 PolarHBondContact O-N 2.94Å; Y94-L98 WeakPolarHBondContact O-CG 3.39Å; Y94-L98 PolarHBondContact O-N 2.7Å; Y94-Y107 AromaticContact CD1-CD1 3.78Å; Y94-Y107 HydrophobicContact CD1-CD1 3.78Å; Y94-Y107 AromaticContact CD1-CE1 3.99Å; Y94-Y107 HydrophobicContact CD1-CE1 3.99Å; Y94-Y107 AromaticContact CD2-CD1 3.86Å; Y94-Y107 HydrophobicContact CD2-CD1 3.86Å; Y94-Y107 HydrophobicContact CD2-CE1 4.3Å; Y94-Y107 AromaticContact CE1-CD1 3.84Å; Y94-Y107 HydrophobicContact CE1-CD1 3.84Å; Y94-Y107 HydrophobicContact CE1-CE1 4.48Å; Y94-Y107 AromaticContact CE2-CD1 3.91Å; Y94-Y107 HydrophobicContact CE2-CD1 3.91Å; Y94-Y107 AromaticContact CG-CD1 3.8Å; Y94-Y107 HydrophobicContact CG-CD1 3.8Å; Y94-Y107 AromaticContact CG-CE1 3.89Å; Y94-Y107 HydrophobicContact CG-CE1 3.89Å; Y94-Y107 AromaticContact CZ-CD1 3.91Å; Y94-F110 HydrophobicContact CE2-CB 4.08Å; Y94-F110 AromaticContact CE2-CD2 3.83Å; Y94-F110 HydrophobicContact CE2-CD2 3.83Å; Y94-F110 HydrophobicContact CE2-CG 4.25Å; Y94-F110 PolarHBondContact OH-N 3.41Å
95K83.6Confident82.8Confident106 Ų10668.9 Ų68.946%0.46135%0.35SS..Hα-helixtrans-43.9-51.1-176.3-170.6173.8-179.51750113.2R91 R97 L98 V99R91-K95 VanDerWaalsContact O-CA 3.25Å; R91-K95 WeakPolarHBondContact O-CA 3.25Å; R91-K95 VanDerWaalsContact O-CB 3.27Å; R91-K95 WeakPolarHBondContact O-CB 3.36Å; R91-K95 PolarHBondContact O-N 3.37Å; K95-R97 VanDerWaalsContact C-N 3.32Å; K95-R97 PolarHBondContact O-N 3.38Å; K95-L98 PolarHBondContact O-N 3.29Å; K95-V99 HydrophobicContact CG-CG2 4.32Å; K95-V99 WeakPolarHBondContact O-CB 3.5Å; K95-V99 VanDerWaalsContact O-CG2 3.24Å; K95-V99 WeakPolarHBondContact O-CG2 3.5Å; K95-V99 PolarHBondContact O-N 3.49Å
96N82Confident82Confident130 Ų13069.8 Ų69.870%0.69536%0.36SS*.Hα-helixtrans-63.7-36.2-177.5-63.6-22.7000112.7Y94 N100Y94-N96 VanDerWaalsContact C-N 3.29Å; Y94-N96 PolarHBondContact O-N 3.21Å; Y94-N96 VanDerWaalsContact O-N 3.11Å; N96-N100 WeakPolarHBondContact O-CB 3.32Å; N96-N100 PolarHBondContact O-N 3.04Å; N96-N100 PolarHBondContact O-ND2 3.05Å
97R82.2Confident81.5Confident96 Ų9670.1 Ų70.136%0.36236%0.362SS..Hα-helixtrans-73-40.3176.6-67.1-168.7-178.5172-0.5111.6Y94 K95 N100 H101 D102 S106Y94-R97 PolarHBondContact O-N 2.94Å; K95-R97 VanDerWaalsContact C-N 3.32Å; K95-R97 PolarHBondContact O-N 3.38Å; R97-N100 PolarHBondContact O-N 2.93Å; R97-H101 PolarHBondContact O-N 3.43Å; R97-D102 HydrophobicContact CB-CB 4.43Å; R97-D102 PolarHBondContact O-N 3.46Å; R97-S106 PolarHBondContact NH1-O 3.24Å
98L82Confident80.8Confident13 Ų1375.8 Ų75.87%0.06839%0.391CS..Hα-helixtrans-65.9-41.3178.9-64.8174000111.9L15 F62 L64 F90 Y94 K95 H101L15-L98 HydrophobicContact CD1-CD2 4.45Å; F62-L98 HydrophobicContact CB-CB 4.22Å; F62-L98 HydrophobicContact CB-CD1 4.2Å; F62-L98 HydrophobicContact CD1-CB 3.44Å; F62-L98 VanDerWaalsContact CD1-CB 3.44Å; F62-L98 HydrophobicContact CD1-CD1 4.37Å; F62-L98 HydrophobicContact CD1-CG 4.49Å; F62-L98 HydrophobicContact CD2-CD1 4.24Å; F62-L98 HydrophobicContact CE1-CB 4Å; F62-L98 HydrophobicContact CG-CB 3.86Å; F62-L98 HydrophobicContact CG-CD1 3.98Å; F62-L98 HydrophobicContact CG-CG 4.46Å; L64-L98 HydrophobicContact CD1-CD1 3.96Å; L64-L98 HydrophobicContact CD1-CD2 3.94Å; L64-L98 HydrophobicContact CD2-CD2 4.27Å; F90-L98 HydrophobicContact CD1-CD1 4.31Å; F90-L98 HydrophobicContact CE1-CD1 4.24Å; F90-L98 HydrophobicContact CE1-CD2 4.24Å; Y94-L98 WeakPolarHBondContact O-CG 3.39Å; Y94-L98 PolarHBondContact O-N 2.7Å; K95-L98 PolarHBondContact O-N 3.29Å; L98-H101 PolarHBondContact O-N 3.48Å
99V79.3Confident80.5Confident81 Ų8178.9 Ų78.949%0.49140%0.404SS..Hα-helixtrans-64.6-39.9174.8173.10000111.5F62 K95 H101F62-V99 HydrophobicContact CE1-CG2 3.72Å; F62-V99 HydrophobicContact CZ-CG2 4.39Å; K95-V99 HydrophobicContact CG-CG2 4.32Å; K95-V99 WeakPolarHBondContact O-CB 3.5Å; K95-V99 VanDerWaalsContact O-CG2 3.24Å; K95-V99 WeakPolarHBondContact O-CG2 3.5Å; K95-V99 PolarHBondContact O-N 3.49Å; V99-H101 PolarHBondContact O-N 2.93Å
100N78.2Confident80.4Confident127 Ų12774.6 Ų74.668%0.67938%0.384SS*.THydrogen-bonded Turntrans-78.33178.8-69-13.8000113.6N96 R97 D102N96-N100 WeakPolarHBondContact O-CB 3.32Å; N96-N100 PolarHBondContact O-N 3.04Å; N96-N100 PolarHBondContact O-ND2 3.05Å; R97-N100 PolarHBondContact O-N 2.93Å; N100-D102 PolarHBondContact O-N 3.06Å; N100-D102 VanDerWaalsContact O-N 3.14Å
101H73.1Confident80.2Confident143 Ų14377.8 Ų77.866%0.66240%0.401SS*.THydrogen-bonded Turntrans50.832.5-172.9-60.2-62.4000113.6R97 L98 V99 I103R97-H101 PolarHBondContact O-N 3.43Å; L98-H101 PolarHBondContact O-N 3.48Å; V99-H101 PolarHBondContact O-N 2.93Å; H101-I103 VanDerWaalsContact C-N 3.3Å; H101-I103 PolarHBondContact O-N 3.49Å
102D72.5Confident80.3Confident61 Ų6178.2 Ų78.233%0.32641%0.413SS..  trans-79.882.4175.9-176.916.7000109.6R97 N100 T104 Y107R97-D102 HydrophobicContact CB-CB 4.43Å; R97-D102 PolarHBondContact O-N 3.46Å; N100-D102 PolarHBondContact O-N 3.06Å; N100-D102 VanDerWaalsContact O-N 3.14Å; D102-T104 VanDerWaalsContact C-N 3.31Å; D102-T104 PolarHBondContact OD1-OG1 2.92Å; D102-T104 VanDerWaalsContact OD1-OG1 3.12Å; D102-Y107 PolarHBondContact O-OH 3.34Å
103I70.6Confident80.5Confident69 Ų6975.3 Ų75.335%0.35440%0.397SS..THydrogen-bonded Turntrans-79.1-17.6-177.2-59.7161.8000111.3T9 I13 L15 H101T9-I103 HydrophobicContact CG2-CG2 4.42Å; I13-I103 HydrophobicContact CB-CG2 4.1Å; I13-I103 HydrophobicContact CD1-CD1 4.37Å; I13-I103 HydrophobicContact CD1-CG2 3.86Å; I13-I103 HydrophobicContact CG2-CG2 3.58Å; L15-I103 HydrophobicContact CD2-CG2 3.88Å; H101-I103 VanDerWaalsContact C-N 3.3Å; H101-I103 PolarHBondContact O-N 3.49Å
104T70.4Confident80.6Confident136 Ų13671.6 Ų71.683%0.83438%0.381SS*.THydrogen-bonded Turntrans-88.2-6.9-174.457.90000113.6D102D102-T104 VanDerWaalsContact C-N 3.31Å; D102-T104 PolarHBondContact OD1-OG1 2.92Å; D102-T104 VanDerWaalsContact OD1-OG1 3.12Å
105G69.2Low80.7Confident18 Ų1876 Ų7619%0.18640%0.402CS..SBendtrans-6114517800000113.3Y107G105-Y107 WeakPolarHBondContact O-CD2 3.48Å; G105-Y107 WeakPolarHBondContact O-CE2 3.47Å
106S74.3Confident81.1Confident68 Ų6873.9 Ų73.948%0.47640%0.404SS..  trans-71.4129.3167.4161.20000110.2R97 D108R97-S106 PolarHBondContact NH1-O 3.24Å; S106-D108 WeakPolarHBondContact OG-CB 3.33Å; S106-D108 PolarHBondContact OG-N 2.76Å; S106-D108 PolarHBondContact OG-OD2 2.64Å
107Y82.2Confident81.5Confident7 Ų768.4 Ų68.43%0.02738%0.375CS..  trans-103.621.6174.6-60-89.5000111.9L15 F90 Y94 D102 G105 E109 F110L15-Y107 HydrophobicContact CB-CD2 3.98Å; L15-Y107 HydrophobicContact CB-CE2 3.89Å; L15-Y107 HydrophobicContact CD2-CE2 3.76Å; L15-Y107 HydrophobicContact CG-CE2 4.26Å; L15-Y107 WeakPolarHBondContact O-CD2 3.03Å; F90-Y107 HydrophobicContact CE1-CE1 4.43Å; F90-Y107 AromaticContact CE2-CD1 3.84Å; F90-Y107 HydrophobicContact CE2-CD1 3.84Å; F90-Y107 HydrophobicContact CE2-CE1 4.42Å; F90-Y107 HydrophobicContact CE2-CG 4.4Å; F90-Y107 AromaticContact CZ-CD1 3.55Å; F90-Y107 HydrophobicContact CZ-CD1 3.55Å; F90-Y107 AromaticContact CZ-CE1 3.7Å; F90-Y107 HydrophobicContact CZ-CE1 3.7Å; F90-Y107 HydrophobicContact CZ-CG 4.26Å; Y94-Y107 AromaticContact CD1-CD1 3.78Å; Y94-Y107 HydrophobicContact CD1-CD1 3.78Å; Y94-Y107 AromaticContact CD1-CE1 3.99Å; Y94-Y107 HydrophobicContact CD1-CE1 3.99Å; Y94-Y107 AromaticContact CD2-CD1 3.86Å; Y94-Y107 HydrophobicContact CD2-CD1 3.86Å; Y94-Y107 HydrophobicContact CD2-CE1 4.3Å; Y94-Y107 AromaticContact CE1-CD1 3.84Å; Y94-Y107 HydrophobicContact CE1-CD1 3.84Å; Y94-Y107 HydrophobicContact CE1-CE1 4.48Å; Y94-Y107 AromaticContact CE2-CD1 3.91Å; Y94-Y107 HydrophobicContact CE2-CD1 3.91Å; Y94-Y107 AromaticContact CG-CD1 3.8Å; Y94-Y107 HydrophobicContact CG-CD1 3.8Å; Y94-Y107 AromaticContact CG-CE1 3.89Å; Y94-Y107 HydrophobicContact CG-CE1 3.89Å; Y94-Y107 AromaticContact CZ-CD1 3.91Å; D102-Y107 PolarHBondContact O-OH 3.34Å; G105-Y107 WeakPolarHBondContact O-CD2 3.48Å; G105-Y107 WeakPolarHBondContact O-CE2 3.47Å; Y107-E109 PolarHBondContact O-N 3.26Å; Y107-F110 VanDerWaalsContact O-CB 3.22Å; Y107-F110 WeakPolarHBondContact O-CB 3.47Å; Y107-F110 PolarHBondContact O-N 3.4Å
108D76.2Confident81.9Confident122 Ų12265 Ų6565%0.65236%0.363SS*.G310 helixtrans-62.4-29.8-171.9-65-34000113.1S106 F110 L111S106-D108 WeakPolarHBondContact OG-CB 3.33Å; S106-D108 PolarHBondContact OG-N 2.76Å; S106-D108 PolarHBondContact OG-OD2 2.64Å; D108-F110 PolarHBondContact O-N 3.05Å; D108-L111 PolarHBondContact O-N 3.12Å
109E83Confident82.3Confident132 Ų13270.8 Ų70.862%0.61739%0.388SS*.G310 helixtrans-67.8-1.1176-57.2-179.2-177.700114.4K93 Y107 P112K93-E109 VanDerWaalsContact NZ-CB 3.31Å; K93-E109 PolarHBondContact NZ-O 2.85Å; K93-E109 IonicContact NZ-OE2 3.99Å; K93-E109 PolarHBondContact NZ-OE2 3.29Å; Y107-E109 PolarHBondContact O-N 3.26Å; E109-P112 WeakPolarHBondContact O-CD 3.5Å
110F88.9Confident82.9Confident0 Ų074.5 Ų74.50%039%0.393CS..G310 helixtrans-80.3-21.2178.5-168.1-114.9000113.2I7 W16 I86 F90 Y94 Y107 D108 I113 Y114I7-F110 HydrophobicContact CD1-CD1 4.16Å; I7-F110 HydrophobicContact CD1-CE1 3.69Å; I7-F110 HydrophobicContact CD1-CZ 4.29Å; W16-F110 AromaticContact CD2-CD1 3.69Å; W16-F110 HydrophobicContact CD2-CD1 3.69Å; W16-F110 HydrophobicContact CD2-CE1 4.49Å; W16-F110 AromaticContact CE2-CD1 3.96Å; W16-F110 AromaticContact CE3-CD1 3.72Å; W16-F110 HydrophobicContact CE3-CD1 3.72Å; W16-F110 HydrophobicContact CE3-CE1 4.08Å; W16-F110 HydrophobicContact CG-CB 4.46Å; W16-F110 HydrophobicContact CG-CD1 4.16Å; W16-F110 HydrophobicContact CH2-CD1 4.34Å; W16-F110 HydrophobicContact CZ2-CD1 4.32Å; W16-F110 HydrophobicContact CZ3-CD1 4.01Å; W16-F110 HydrophobicContact CZ3-CE1 4.2Å; I86-F110 HydrophobicContact CD1-CE1 3.78Å; I86-F110 HydrophobicContact CD1-CE2 4.26Å; I86-F110 HydrophobicContact CD1-CZ 3.33Å; I86-F110 HydrophobicContact CG1-CE1 3.94Å; I86-F110 HydrophobicContact CG1-CZ 3.64Å; F90-F110 HydrophobicContact CB-CE2 3.76Å; F90-F110 HydrophobicContact CB-CZ 3.76Å; F90-F110 HydrophobicContact CD2-CD1 4.04Å; F90-F110 AromaticContact CD2-CD2 3.71Å; F90-F110 HydrophobicContact CD2-CD2 3.71Å; F90-F110 AromaticContact CD2-CE1 3.92Å; F90-F110 HydrophobicContact CD2-CE1 3.92Å; F90-F110 AromaticContact CD2-CE2 3.58Å; F90-F110 HydrophobicContact CD2-CE2 3.58Å; F90-F110 AromaticContact CD2-CG 3.92Å; F90-F110 HydrophobicContact CD2-CG 3.92Å; F90-F110 AromaticContact CD2-CZ 3.66Å; F90-F110 HydrophobicContact CD2-CZ 3.66Å; F90-F110 HydrophobicContact CE2-CD1 4.47Å; F90-F110 HydrophobicContact CE2-CD2 4.43Å; F90-F110 HydrophobicContact CE2-CG 4.32Å; F90-F110 HydrophobicContact CG-CE2 4.16Å; F90-F110 HydrophobicContact CG-CZ 4.2Å; Y94-F110 HydrophobicContact CE2-CB 4.08Å; Y94-F110 AromaticContact CE2-CD2 3.83Å; Y94-F110 HydrophobicContact CE2-CD2 3.83Å; Y94-F110 HydrophobicContact CE2-CG 4.25Å; Y94-F110 PolarHBondContact OH-N 3.41Å; Y107-F110 VanDerWaalsContact O-CB 3.22Å; Y107-F110 WeakPolarHBondContact O-CB 3.47Å; Y107-F110 PolarHBondContact O-N 3.4Å; D108-F110 PolarHBondContact O-N 3.05Å; F110-I113 HydrophobicContact CD2-CB 4.15Å; F110-I113 HydrophobicContact CD2-CD1 4.34Å; F110-I113 HydrophobicContact CD2-CG2 4.29Å; F110-I113 HydrophobicContact CE2-CB 4.19Å; F110-I113 HydrophobicContact CE2-CG2 3.83Å; F110-I113 WeakPolarHBondContact O-CB 3.43Å; F110-I113 PolarHBondContact O-N 2.87Å; F110-I113 VanDerWaalsContact O-N 3.1Å; F110-Y114 PolarHBondContact O-N 2.73Å
111L87.4Confident83.4Confident66 Ų6668.6 Ų68.635%0.34636%0.362SS..Hα-helixtrans-51.5-48.8-179.1-177.365000115W16 F18 D108 I113 Y114 Q115W16-L111 HydrophobicContact CH2-CD1 4.49Å; W16-L111 HydrophobicContact CZ2-CB 4.28Å; W16-L111 HydrophobicContact CZ2-CD1 3.93Å; F18-L111 HydrophobicContact CD2-CD1 3.75Å; F18-L111 HydrophobicContact CE2-CD1 3.81Å; D108-L111 PolarHBondContact O-N 3.12Å; L111-I113 VanDerWaalsContact C-N 3.29Å; L111-I113 PolarHBondContact O-N 3.45Å; L111-Y114 PolarHBondContact O-N 3.05Å; L111-Q115 HydrophobicContact CD1-CG 4.45Å; L111-Q115 WeakPolarHBondContact O-CG 3.41Å; L111-Q115 PolarHBondContact O-N 3.18Å
112P89.3Confident84.1Confident80 Ų8064.8 Ų64.852%0.51935%0.345SS..Hα-helixtrans-65.1-33.2179.323.6-33.8000112.8E109 A116E109-P112 WeakPolarHBondContact O-CD 3.5Å; P112-A116 WeakPolarHBondContact O-CB 3.28Å; P112-A116 PolarHBondContact O-N 3.22Å
113I89.7Confident84.9Confident37 Ų3764.9 Ų64.919%0.1935%0.345CS..Hα-helixtrans-69.7-46.9177.9-64.5169.2000109.6E89 K93 F110 L111 Q115 A116 T117E89-I113 HydrophobicContact CB-CG2 3.88Å; E89-I113 HydrophobicContact CG-CG2 4.38Å; K93-I113 HydrophobicContact CD-CD1 3.22Å; K93-I113 HydrophobicContact CG-CD1 4.49Å; F110-I113 HydrophobicContact CD2-CB 4.15Å; F110-I113 HydrophobicContact CD2-CD1 4.34Å; F110-I113 HydrophobicContact CD2-CG2 4.29Å; F110-I113 HydrophobicContact CE2-CB 4.19Å; F110-I113 HydrophobicContact CE2-CG2 3.83Å; F110-I113 WeakPolarHBondContact O-CB 3.43Å; F110-I113 PolarHBondContact O-N 2.87Å; F110-I113 VanDerWaalsContact O-N 3.1Å; L111-I113 VanDerWaalsContact C-N 3.29Å; L111-I113 PolarHBondContact O-N 3.45Å; I113-Q115 VanDerWaalsContact C-N 3.33Å; I113-Q115 PolarHBondContact O-N 3.25Å; I113-A116 PolarHBondContact O-N 2.56Å; I113-T117 WeakPolarHBondContact O-CB 3.27Å; I113-T117 PolarHBondContact O-N 2.96Å; I113-T117 PolarHBondContact O-OG1 3.14Å; I113-T117 VanDerWaalsContact O-OG1 3.05Å
114Y90.7Very high85.7Confident2 Ų264.5 Ų64.51%0.00834%0.342CS..Hα-helixtrans-53.1-49.2173.4168.5-93.7000112.3F5 W16 F18 F82 I86 F110 L111 A116 T117 L118F5-Y114 HydrophobicContact CB-CE2 3.84Å; F5-Y114 HydrophobicContact CD1-CD2 4.03Å; F5-Y114 AromaticContact CD1-CE2 3.77Å; F5-Y114 HydrophobicContact CD1-CE2 3.77Å; F5-Y114 HydrophobicContact CD2-CE2 4.39Å; F5-Y114 HydrophobicContact CE1-CD2 4.18Å; F5-Y114 HydrophobicContact CE1-CE2 4.3Å; F5-Y114 HydrophobicContact CG-CD2 4.43Å; F5-Y114 AromaticContact CG-CE2 3.75Å; F5-Y114 HydrophobicContact CG-CE2 3.75Å; W16-Y114 AromaticContact CH2-CD1 3.7Å; W16-Y114 HydrophobicContact CH2-CD1 3.7Å; W16-Y114 AromaticContact CH2-CD2 3.66Å; W16-Y114 HydrophobicContact CH2-CD2 3.66Å; W16-Y114 HydrophobicContact CH2-CE1 4.3Å; W16-Y114 HydrophobicContact CH2-CE2 4.25Å; W16-Y114 AromaticContact CH2-CG 3.34Å; W16-Y114 HydrophobicContact CH2-CG 3.34Å; W16-Y114 HydrophobicContact CZ2-CG 4.37Å; W16-Y114 HydrophobicContact CZ3-CD1 4.45Å; W16-Y114 AromaticContact CZ3-CD2 3.58Å; W16-Y114 HydrophobicContact CZ3-CD2 3.58Å; W16-Y114 HydrophobicContact CZ3-CE2 4.11Å; W16-Y114 AromaticContact CZ3-CG 3.78Å; W16-Y114 HydrophobicContact CZ3-CG 3.78Å; F18-Y114 HydrophobicContact CB-CE1 4.05Å; F18-Y114 HydrophobicContact CB-CE2 4.49Å; F18-Y114 HydrophobicContact CD1-CE1 4.07Å; F18-Y114 AromaticContact CD2-CD1 3.74Å; F18-Y114 HydrophobicContact CD2-CD1 3.74Å; F18-Y114 AromaticContact CD2-CE1 3.34Å; F18-Y114 HydrophobicContact CD2-CE1 3.34Å; F18-Y114 HydrophobicContact CE1-CE1 4.39Å; F18-Y114 HydrophobicContact CE2-CD1 4.18Å; F18-Y114 AromaticContact CE2-CE1 3.74Å; F18-Y114 HydrophobicContact CE2-CE1 3.74Å; F18-Y114 HydrophobicContact CG-CD1 4.28Å; F18-Y114 AromaticContact CG-CE1 3.53Å; F18-Y114 HydrophobicContact CG-CE1 3.53Å; F18-Y114 AromaticContact CG-CZ 3.83Å; F18-Y114 HydrophobicContact CZ-CE1 4.24Å; F82-Y114 HydrophobicContact CE1-CE2 4.3Å; F82-Y114 HydrophobicContact CE2-CE2 4.48Å; F82-Y114 AromaticContact CZ-CD2 3.83Å; F82-Y114 HydrophobicContact CZ-CD2 3.83Å; F82-Y114 AromaticContact CZ-CE2 3.56Å; F82-Y114 HydrophobicContact CZ-CE2 3.56Å; I86-Y114 HydrophobicContact CD1-CD2 4.39Å; F110-Y114 PolarHBondContact O-N 2.73Å; L111-Y114 PolarHBondContact O-N 3.05Å; Y114-A116 PolarHBondContact O-N 3.1Å; Y114-T117 PolarHBondContact O-N 3.14Å; Y114-L118 HydrophobicContact CE1-CD2 4.11Å; Y114-L118 VanDerWaalsContact O-CB 3.23Å; Y114-L118 WeakPolarHBondContact O-CB 3.15Å; Y114-L118 PolarHBondContact O-N 3.38Å
115Q90.5Very high86.3Confident103 Ų10361.2 Ų61.248%0.48132%0.316SS..Hα-helixtrans-64.7-40.8-180-71.8178.1-15.600112.2L111 I113 K119L111-Q115 HydrophobicContact CD1-CG 4.45Å; L111-Q115 WeakPolarHBondContact O-CG 3.41Å; L111-Q115 PolarHBondContact O-N 3.18Å; I113-Q115 VanDerWaalsContact C-N 3.33Å; I113-Q115 PolarHBondContact O-N 3.25Å; Q115-K119 VanDerWaalsContact O-CB 3.25Å; Q115-K119 WeakPolarHBondContact O-CB 3.42Å; Q115-K119 PolarHBondContact O-N 2.9Å
116A91.7Very high87.1Confident61 Ų6167.7 Ų67.750%0.50434%0.335SS..Hα-helixtrans-65.3-46.917800000111.9P112 I113 Y114 K119 R120P112-A116 WeakPolarHBondContact O-CB 3.28Å; P112-A116 PolarHBondContact O-N 3.22Å; I113-A116 PolarHBondContact O-N 2.56Å; Y114-A116 PolarHBondContact O-N 3.1Å; A116-K119 PolarHBondContact O-N 3.23Å; A116-R120 VanDerWaalsContact O-CB 3.28Å; A116-R120 WeakPolarHBondContact O-CB 3.35Å; A116-R120 PolarHBondContact O-N 3.34Å
117T90.5Very high87.5Confident14 Ų1468.9 Ų68.99%0.08634%0.336CS..Hα-helixtrans-66.7-40.9178.9-560000111.6F82 D85 I86 I113 Y114 R120 T121F82-T117 HydrophobicContact CD2-CG2 4.21Å; F82-T117 HydrophobicContact CE2-CG2 4.25Å; D85-T117 HydrophobicContact CB-CG2 3.95Å; I86-T117 HydrophobicContact CB-CG2 4.42Å; I86-T117 HydrophobicContact CD1-CG2 4.23Å; I113-T117 WeakPolarHBondContact O-CB 3.27Å; I113-T117 PolarHBondContact O-N 2.96Å; I113-T117 PolarHBondContact O-OG1 3.14Å; I113-T117 VanDerWaalsContact O-OG1 3.05Å; Y114-T117 PolarHBondContact O-N 3.14Å; T117-R120 PolarHBondContact O-N 3.42Å; T117-T121 WeakPolarHBondContact O-CB 3.28Å; T117-T121 WeakPolarHBondContact O-CG2 3.44Å; T117-T121 PolarHBondContact O-N 2.9Å; T117-T121 PolarHBondContact O-OG1 2.99Å
118L90.7Very high87.5Confident24 Ų2474.2 Ų74.213%0.12636%0.364CS..Hα-helixtrans-62.7-48175.1-178.361.7000111.1L2 Y78 F82 Y114 R120 T121 E122L2-L118 HydrophobicContact CD1-CD1 3.78Å; L2-L118 HydrophobicContact CG-CD1 4.26Å; Y78-L118 HydrophobicContact CE2-CD1 4.36Å; F82-L118 HydrophobicContact CD2-CB 4.39Å; F82-L118 HydrophobicContact CD2-CD1 4.1Å; F82-L118 HydrophobicContact CE2-CB 3.81Å; F82-L118 HydrophobicContact CE2-CD1 4.02Å; F82-L118 HydrophobicContact CZ-CB 4.48Å; F82-L118 HydrophobicContact CZ-CD1 4.36Å; Y114-L118 HydrophobicContact CE1-CD2 4.11Å; Y114-L118 VanDerWaalsContact O-CB 3.23Å; Y114-L118 WeakPolarHBondContact O-CB 3.15Å; Y114-L118 PolarHBondContact O-N 3.38Å; L118-R120 PolarHBondContact O-N 2.86Å; L118-T121 PolarHBondContact O-N 3.21Å; L118-T121 PolarHBondContact O-OG1 2.82Å; L118-E122 HydrophobicContact CD1-CG 4.26Å; L118-E122 WeakPolarHBondContact O-CB 3.15Å; L118-E122 WeakPolarHBondContact O-CG 3.47Å; L118-E122 PolarHBondContact O-N 3.12Å
119K90.9Very high87.5Confident135 Ų13578.1 Ų78.159%0.58737%0.37SS*.Hα-helixtrans-61.5-44.9178.5-176.1179178.9-175.70111.6Q115 A116 E122 D123Q115-K119 VanDerWaalsContact O-CB 3.25Å; Q115-K119 WeakPolarHBondContact O-CB 3.42Å; Q115-K119 PolarHBondContact O-N 2.9Å; A116-K119 PolarHBondContact O-N 3.23Å; K119-E122 PolarHBondContact O-N 2.97Å; K119-D123 WeakPolarHBondContact O-CB 3.42Å; K119-D123 PolarHBondContact O-N 3.04Å
120R91.2Very high87.2Confident159 Ų15978.5 Ų78.560%0.637%0.369SS*.Hα-helixtrans-58.7-49.2177.8179.5-179.8178.4164.31.8111.8A116 T117 L118 D123 E124A116-R120 VanDerWaalsContact O-CB 3.28Å; A116-R120 WeakPolarHBondContact O-CB 3.35Å; A116-R120 PolarHBondContact O-N 3.34Å; T117-R120 PolarHBondContact O-N 3.42Å; L118-R120 PolarHBondContact O-N 2.86Å; R120-D123 PolarHBondContact O-N 3.15Å; R120-E124 HydrophobicContact CG-CG 4.5Å; R120-E124 WeakPolarHBondContact CG-OE1 3.4Å; R120-E124 IonicContact CZ-OE1 3.49Å; R120-E124 IonicContact NE-OE1 3.15Å; R120-E124 PolarHBondContact NE-OE1 2.94Å; R120-E124 IonicContact NH2-OE1 3.89Å; R120-E124 WeakPolarHBondContact O-CB 3.47Å; R120-E124 VanDerWaalsContact O-CG 3.29Å; R120-E124 WeakPolarHBondContact O-CG 3.32Å; R120-E124 PolarHBondContact O-N 2.91Å
121T88.9Confident86.2Confident3 Ų381.4 Ų81.42%0.01840%0.399CS..Hα-helixtrans-66.8-36.2-179.649.80000112.2F82 T117 L118 F125F82-T121 HydrophobicContact CB-CG2 4.29Å; F82-T121 HydrophobicContact CD2-CG2 4.46Å; T117-T121 WeakPolarHBondContact O-CB 3.28Å; T117-T121 WeakPolarHBondContact O-CG2 3.44Å; T117-T121 PolarHBondContact O-N 2.9Å; T117-T121 PolarHBondContact O-OG1 2.99Å; L118-T121 PolarHBondContact O-N 3.21Å; L118-T121 PolarHBondContact O-OG1 2.82Å; T121-F125 WeakPolarHBondContact O-CB 3.44Å; T121-F125 PolarHBondContact O-N 3.23Å; T121-F125 VanDerWaalsContact O-N 3.15Å
122E88.4Confident85.1Confident64 Ų6481.8 Ų81.830%0.29941%0.412SS..Hα-helixtrans-67.4-41.1173.3-73.5-172.6158.900112.7Y78 L118 K119 F125 R126Y78-E122 HydrophobicContact CE1-CG 4.42Å; Y78-E122 HydrophobicContact CE2-CG 3.9Å; Y78-E122 PolarHBondContact OH-OE1 3.07Å; L118-E122 HydrophobicContact CD1-CG 4.26Å; L118-E122 WeakPolarHBondContact O-CB 3.15Å; L118-E122 WeakPolarHBondContact O-CG 3.47Å; L118-E122 PolarHBondContact O-N 3.12Å; K119-E122 PolarHBondContact O-N 2.97Å; E122-F125 PolarHBondContact O-N 3.35Å; E122-R126 VanDerWaalsContact O-CB 3.26Å; E122-R126 WeakPolarHBondContact O-CB 3.48Å; E122-R126 PolarHBondContact O-N 2.87Å
123D88.7Confident83.3Confident63 Ų6386.9 Ų86.934%0.33743%0.426SS..Hα-helixtrans-68-45178.2-76.7-25.7000111.5K119 R120 F125 R126 D127K119-D123 WeakPolarHBondContact O-CB 3.42Å; K119-D123 PolarHBondContact O-N 3.04Å; R120-D123 PolarHBondContact O-N 3.15Å; D123-F125 VanDerWaalsContact C-N 3.3Å; D123-F125 PolarHBondContact O-N 3.34Å; D123-R126 WeakPolarHBondContact O-CB 3.39Å; D123-R126 PolarHBondContact O-N 3.43Å; D123-R126 VanDerWaalsContact O-N 3.15Å; D123-D127 PolarHBondContact O-N 3.25Å
124E87Confident81.8Confident60 Ų6093.9 Ų93.928%0.2846%0.458SS..Hα-helixtrans-58.1-42.3174.9-74.2175.3-172.400111.6K81 R120 D127 L128K81-E124 IonicContact NZ-OE2 2.96Å; K81-E124 PolarHBondContact NZ-OE2 3.22Å; R120-E124 HydrophobicContact CG-CG 4.5Å; R120-E124 WeakPolarHBondContact CG-OE1 3.4Å; R120-E124 IonicContact CZ-OE1 3.49Å; R120-E124 IonicContact NE-OE1 3.15Å; R120-E124 PolarHBondContact NE-OE1 2.94Å; R120-E124 IonicContact NH2-OE1 3.89Å; R120-E124 WeakPolarHBondContact O-CB 3.47Å; R120-E124 VanDerWaalsContact O-CG 3.29Å; R120-E124 WeakPolarHBondContact O-CG 3.32Å; R120-E124 PolarHBondContact O-N 2.91Å; E124-D127 PolarHBondContact O-N 3.49Å; E124-L128 WeakPolarHBondContact O-CD1 3.37Å; E124-L128 WeakPolarHBondContact O-CG 3.41Å; E124-L128 PolarHBondContact O-N 3.02Å
125F84Confident80.2Confident67 Ų67102.4 Ų102.429%0.29450%0.5SS..Hα-helixtrans-72.6-33.8177.6-158-93000112.6N77 Y78 T121 E122 D123 D127 L128 R129N77-F125 HydrophobicContact CB-CE1 4.47Å; N77-F125 HydrophobicContact CB-CE2 3.71Å; N77-F125 HydrophobicContact CB-CZ 3.56Å; Y78-F125 HydrophobicContact CD1-CB 4.47Å; Y78-F125 HydrophobicContact CD1-CD1 4.38Å; Y78-F125 HydrophobicContact CD1-CG 4.34Å; T121-F125 WeakPolarHBondContact O-CB 3.44Å; T121-F125 PolarHBondContact O-N 3.23Å; T121-F125 VanDerWaalsContact O-N 3.15Å; E122-F125 PolarHBondContact O-N 3.35Å; D123-F125 VanDerWaalsContact C-N 3.3Å; D123-F125 PolarHBondContact O-N 3.34Å; F125-D127 VanDerWaalsContact C-N 3.32Å; F125-L128 HydrophobicContact CD2-CD1 4.47Å; F125-R129 WeakPolarHBondContact O-CB 3.07Å; F125-R129 PolarHBondContact O-N 3.05Å
126R84.5Confident78.9Confident155 Ų155106.9 Ų106.959%0.58551%0.513SS*.Hα-helixtrans-63.5-39.5173.2178.9-178.4-83.5179.7-6.4111.1E122 D123 R129 K130E122-R126 VanDerWaalsContact O-CB 3.26Å; E122-R126 WeakPolarHBondContact O-CB 3.48Å; E122-R126 PolarHBondContact O-N 2.87Å; D123-R126 WeakPolarHBondContact O-CB 3.39Å; D123-R126 PolarHBondContact O-N 3.43Å; D123-R126 VanDerWaalsContact O-N 3.15Å; R126-R129 PolarHBondContact O-N 2.8Å; R126-K130 WeakPolarHBondContact O-CG 3.34Å; R126-K130 PolarHBondContact O-N 2.87Å; R126-K130 VanDerWaalsContact O-N 3.07Å
127D84.1Confident78.1Confident92 Ų92111.3 Ų111.349%0.49252%0.52SS..Hα-helixtrans-73.5-38.3179-71.4-18.6000112.3D123 E124 F125 R129 K130 G131D123-D127 PolarHBondContact O-N 3.25Å; E124-D127 PolarHBondContact O-N 3.49Å; F125-D127 VanDerWaalsContact C-N 3.32Å; D127-R129 VanDerWaalsContact C-N 3.26Å; D127-R129 PolarHBondContact O-N 3.35Å; D127-K130 PolarHBondContact O-N 3.47Å; D127-K130 IonicContact OD1-NZ 3.39Å; D127-K130 PolarHBondContact OD1-NZ 3.1Å; D127-G131 PolarHBondContact O-N 3.4Å
128L81.5Confident76.9Confident120 Ų120118.1 Ų118.163%0.62855%0.549SS*.Hα-helixtrans-56.4-41.4168.4-78.4160.5000111.7E124 F125 G131 A132E124-L128 WeakPolarHBondContact O-CD1 3.37Å; E124-L128 WeakPolarHBondContact O-CG 3.41Å; E124-L128 PolarHBondContact O-N 3.02Å; F125-L128 HydrophobicContact CD2-CD1 4.47Å; L128-G131 PolarHBondContact O-N 3Å; L128-A132 PolarHBondContact O-N 3.44Å
129R76.5Confident75.8Confident203 Ų203123.9 Ų123.977%0.76658%0.575SS**Hα-helixtrans-69.1-32178.4-159.6175.5-176.4-172.31.4113F125 R126 D127F125-R129 WeakPolarHBondContact O-CB 3.07Å; F125-R129 PolarHBondContact O-N 3.05Å; R126-R129 PolarHBondContact O-N 2.8Å; D127-R129 VanDerWaalsContact C-N 3.26Å; D127-R129 PolarHBondContact O-N 3.35Å
130K76.3Confident75Confident140 Ų140122 Ų12261%0.60957%0.572SS**Hα-helixtrans-73.1-32.2172.5-69.9171.1-172.1161.40112.4R126 D127 A132R126-K130 WeakPolarHBondContact O-CG 3.34Å; R126-K130 PolarHBondContact O-N 2.87Å; R126-K130 VanDerWaalsContact O-N 3.07Å; D127-K130 PolarHBondContact O-N 3.47Å; D127-K130 IonicContact OD1-NZ 3.39Å; D127-K130 PolarHBondContact OD1-NZ 3.1Å; K130-A132 VanDerWaalsContact C-N 3.32Å
131G68.3Low74.2Confident61 Ų61116.8 Ų116.863%0.62956%0.56SS**Hα-helixtrans-72-21.2178.200000114.4D127 L128 K133D127-G131 PolarHBondContact O-N 3.4Å; L128-G131 PolarHBondContact O-N 3Å; G131-K133 PolarHBondContact O-N 3.39Å
132A63.8Low73.6Confident74 Ų74122.3 Ų122.361%0.61259%0.589SS**SBendtrans-67.892.9172.700000110.1L128 K130 Q134L128-A132 PolarHBondContact O-N 3.44Å; K130-A132 VanDerWaalsContact C-N 3.32Å; A132-Q134 PolarHBondContact O-N 3.5Å; A132-Q134 VanDerWaalsContact O-N 3.16Å
133K51.8Low73Confident188 Ų188127.1 Ų127.182%0.81761%0.609SS**  trans-16.3104.6-177-83.3175.4177.5169.60114.6G131 M135G131-K133 PolarHBondContact O-N 3.39Å; K133-M135 PolarHBondContact O-N 3.08Å
134Q56.8Low72.3Confident183 Ų183124.5 Ų124.586%0.85560%0.596SS**PPolyproline II helixtrans-59.5131.3162.9-154.214722.900108.9A132 R136A132-Q134 PolarHBondContact O-N 3.5Å; A132-Q134 VanDerWaalsContact O-N 3.16Å; Q134-R136 PolarHBondContact O-N 3.45Å
135M58.4Low71.6Confident181 Ų181127.6 Ų127.689%0.89261%0.608SS**PPolyproline II helixtrans-53.4121.7-176.4-146.9172.376.800109.6K133 K137K133-M135 PolarHBondContact O-N 3.08Å; M135-K137 PolarHBondContact O-N 2.93Å
136R62.6Low71.2Confident198 Ų198132.2 Ų132.275%0.74763%0.628SS**PPolyproline II helixtrans-58.8137.7178.7-69.4-176.7-179.7173.5-1.1109.3Q134 D140Q134-R136 PolarHBondContact O-N 3.45Å; R136-D140 HydrophobicContact CB-CB 4.48Å
137K74.3Confident70.7Confident153 Ų153128.4 Ų128.467%0.66562%0.622SS**PPolyproline II helixtrans-63.9149.9172.5-74.2-169.3173.5-173.10109.4M135 E139 D140M135-K137 PolarHBondContact O-N 2.93Å; K137-E139 PolarHBondContact O-N 2.84Å; K137-E139 VanDerWaalsContact O-N 3.16Å; K137-D140 WeakPolarHBondContact O-CB 3.27Å; K137-D140 PolarHBondContact O-N 2.84Å
138F65.9Low70.1Confident157 Ų157128.6 Ų128.669%0.68963%0.626SS**G310 helixtrans-55.2-34.1179.7177.9-99.7000112.7D140 S141 S144F138-D140 PolarHBondContact O-N 2.82Å; F138-S141 VanDerWaalsContact O-CB 3.25Å; F138-S141 WeakPolarHBondContact O-CB 3.38Å; F138-S141 PolarHBondContact O-N 3.45Å; F138-S141 VanDerWaalsContact O-N 3.08Å; F138-S144 WeakPolarHBondContact O-CB 3.21Å; F138-S144 PolarHBondContact O-OG 3.38Å
139E68.8Low69.6Low145 Ų145126 Ų12668%0.67862%0.622SS**G310 helixtrans-63.2-23176.7-65.4173.4168.200113.5K137 S141 S144K137-E139 PolarHBondContact O-N 2.84Å; K137-E139 VanDerWaalsContact O-N 3.16Å; E139-S141 VanDerWaalsContact C-N 3.35Å; E139-S144 WeakPolarHBondContact CA-OG 3.03Å; E139-S144 PolarHBondContact O-OG 2.7Å; E139-S144 VanDerWaalsContact O-OG 3.12Å
140D72.5Confident69.5Low97 Ų97120.9 Ų120.952%0.51962%0.617SS.*G310 helixtrans-87.8-3.5176.7-63.8-41.7000113.1R136 K137 F138R136-D140 HydrophobicContact CB-CB 4.48Å; K137-D140 WeakPolarHBondContact O-CB 3.27Å; K137-D140 PolarHBondContact O-N 2.84Å; F138-D140 PolarHBondContact O-N 2.82Å
141S75.3Confident69.2Low49 Ų49121.3 Ų121.334%0.34362%0.623SS.*SBendtrans-76.8134.4176-174.10000111.1F138 E139 K143 S144 K145F138-S141 VanDerWaalsContact O-CB 3.25Å; F138-S141 WeakPolarHBondContact O-CB 3.38Å; F138-S141 PolarHBondContact O-N 3.45Å; F138-S141 VanDerWaalsContact O-N 3.08Å; E139-S141 VanDerWaalsContact C-N 3.35Å; S141-K143 PolarHBondContact O-N 2.87Å; S141-K143 PolarHBondContact OG-N 3.03Å; S141-S144 PolarHBondContact O-N 3.35Å; S141-S144 PolarHBondContact O-OG 2.92Å; S141-K145 PolarHBondContact O-N 2.76Å
142D76.2Confident69.5Low118 Ų118124.1 Ų124.163%0.63162%0.623SS**Hα-helixtrans-58.3-24.2173-66-42.1000112.9K146D142-K146 PolarHBondContact O-N 3.08Å; D142-K146 VanDerWaalsContact O-N 3.14Å
143K75.2Confident69.1Low166 Ų166127.1 Ų127.172%0.72263%0.633SS**Hα-helixtrans-64.8-40.1171.9-105.4-178.9176.7179.90112.2S141 T147S141-K143 PolarHBondContact O-N 2.87Å; S141-K143 PolarHBondContact OG-N 3.03Å; K143-T147 PolarHBondContact O-N 3.08Å; K143-T147 VanDerWaalsContact O-N 3.15Å; K143-T147 PolarHBondContact O-OG1 2.81Å
144S73.5Confident69.1Low8 Ų8129.4 Ų129.46%0.05664%0.637CS.*Hα-helixtrans-71.1-40.9179.767.20000110.7F138 E139 S141 K146 T147 V148F138-S144 WeakPolarHBondContact O-CB 3.21Å; F138-S144 PolarHBondContact O-OG 3.38Å; E139-S144 WeakPolarHBondContact CA-OG 3.03Å; E139-S144 PolarHBondContact O-OG 2.7Å; E139-S144 VanDerWaalsContact O-OG 3.12Å; S141-S144 PolarHBondContact O-N 3.35Å; S141-S144 PolarHBondContact O-OG 2.92Å; S144-K146 VanDerWaalsContact C-N 3.34Å; S144-K146 PolarHBondContact O-N 3.35Å; S144-T147 PolarHBondContact O-N 2.87Å; S144-T147 VanDerWaalsContact O-N 3.1Å; S144-V148 WeakPolarHBondContact O-CG2 3.3Å; S144-V148 PolarHBondContact O-N 2.99Å
145K73.5Confident68.4Low125 Ų125130.7 Ų130.754%0.54364%0.64SS.*Hα-helixtrans-57.6-42.5174.4-68.2-179.4-178.4171.70112.9S141 A149S141-K145 PolarHBondContact O-N 2.76Å; K145-A149 WeakPolarHBondContact O-CB 3.27Å; K145-A149 PolarHBondContact O-N 2.8Å
146K74.7Confident67.6Low163 Ų163125.7 Ų125.771%0.70963%0.634SS**Hα-helixtrans-63.9-41.5174.8-80.4-177.8176.6179.60112.5D142 S144 A149 S150D142-K146 PolarHBondContact O-N 3.08Å; D142-K146 VanDerWaalsContact O-N 3.14Å; S144-K146 VanDerWaalsContact C-N 3.34Å; S144-K146 PolarHBondContact O-N 3.35Å; K146-A149 PolarHBondContact O-N 2.81Å; K146-S150 PolarHBondContact O-N 2.79Å; K146-S150 PolarHBondContact O-OG 3.41Å
147T74.5Confident66.5Low75 Ų75126.3 Ų126.346%0.4664%0.642SS.*Hα-helixtrans-66.8-38.8-179.3-41.70000111.8K143 S144 S150K143-T147 PolarHBondContact O-N 3.08Å; K143-T147 VanDerWaalsContact O-N 3.15Å; K143-T147 PolarHBondContact O-OG1 2.81Å; S144-T147 PolarHBondContact O-N 2.87Å; S144-T147 VanDerWaalsContact O-N 3.1Å; T147-S150 PolarHBondContact O-OG 3.35Å
148V71.4Confident64.5Low96 Ų96126.4 Ų126.458%0.58265%0.65SS**Hα-helixtrans-68.7-42.1175.81760000110.8S144 S150 M151S144-V148 WeakPolarHBondContact O-CG2 3.3Å; S144-V148 PolarHBondContact O-N 2.99Å; V148-S150 VanDerWaalsContact C-N 3.31Å; V148-S150 PolarHBondContact O-N 3.01Å; V148-M151 PolarHBondContact O-N 2.97Å
149A72Confident63.2Low66 Ų66124.9 Ų124.955%0.54565%0.654SS.*Hα-helixtrans-62.6-35.3177.700000112.9K145 K146 M151K145-A149 WeakPolarHBondContact O-CB 3.27Å; K145-A149 PolarHBondContact O-N 2.8Å; K146-A149 PolarHBondContact O-N 2.81Å; A149-M151 PolarHBondContact O-N 3.47Å
150S73.6Confident61.6Low95 Ų95126.9 Ų126.966%0.66466%0.663SS**THydrogen-bonded Turntrans-70.7-14.9177.652.40000114.7K146 T147 V148K146-S150 PolarHBondContact O-N 2.79Å; K146-S150 PolarHBondContact O-OG 3.41Å; T147-S150 PolarHBondContact O-OG 3.35Å; V148-S150 VanDerWaalsContact C-N 3.31Å; V148-S150 PolarHBondContact O-N 3.01Å
151M70.9Confident59.8Low149 Ų149128 Ų12873%0.73467%0.673SS**THydrogen-bonded Turntrans-90.2-7.8-176.5-130.4177.3-81.400113.5V148 A149 V153V148-M151 PolarHBondContact O-N 2.97Å; A149-M151 PolarHBondContact O-N 3.47Å; M151-V153 PolarHBondContact O-N 3.01Å
152I72.9Confident58Low121 Ų121133.8 Ų133.862%0.62170%0.7SS**  trans-89.696.5-176.1-56.1172.6000110.1R154I152-R154 PolarHBondContact O-N 2.8Å
153V56Low56Low136 Ų136133.3 Ų133.382%0.82470%0.701SS**  trans-80.1110.7172.8179.70000110M151M151-V153 PolarHBondContact O-N 3.01Å
154R52.4Low54.2Low236 Ų236135.5 Ų135.589%0.89171%0.711SS**  trans-80.5122174.3-78-179.2174.9163-1.5111.2I152I152-R154 PolarHBondContact O-N 2.8Å
155K42.3Very low52.4Low211 Ų211143.7 Ų143.792%0.91775%0.748SS**  trans-93.2118.9166.6-96.8-179.7172.9176.70110.2
156G41.4Very low50.5Low75 Ų75144 Ų14477%0.77376%0.761SS**  trans86.997.2149.300000118.5
157K38.3Very low48.7Very low212 Ų212142.3 Ų142.392%0.92277%0.766SS**  177.3127116.4-104.1176.9174.4177.80110.4
158N33.9Very low46.6Very low154 Ų154146 Ų14682%0.82478%0.782SS**  trans-57.1138.8172.9-57.6-26.5000111
159T37.6Very low44.9Very low125 Ų125146.2 Ų146.277%0.76779%0.794SS**  -176.7136105.66.70000110.6
160E36.1Very low43Very low187 Ų187151.2 Ų151.287%0.87481%0.806SS**  trans73.6131.9153.5-67.7173.4-173.300120.9
161V35Very low41.2Very low122 Ų122154.2 Ų154.274%0.73981%0.807SS**  trans-111.7134.7-165.2173.40000106.6V163V161-V163 HydrophobicContact CG1-CG2 4Å
162D36.2Very low39.5Very low170 Ų170154.2 Ų154.291%0.90981%0.805SS**  trans-147.4116.9145.8-118.5-16.1000109.6
163V34.2Very low37.7Very low108 Ų108153 Ų15366%0.65581%0.807SS**  trans-102.5126.1-176.5171.60000107.4V161 E165V161-V163 HydrophobicContact CG1-CG2 4Å; V163-E165 HydrophobicContact CG1-CG 4.47Å
164K37.4Very low36.8Very low212 Ų212154.6 Ų154.692%0.92281%0.81SS**  trans-136.3135.2154.4-91.4-174.4179.9172.50111.3
165E36.9Very low35.9Very low179 Ų179149.3 Ų149.384%0.83680%0.804SS**  trans-84150.4-158.3-61.1165.2141.200113.3V163V163-E165 HydrophobicContact CG1-CG 4.47Å
166T33.8Very low35.7Very low131 Ų131145 Ų14580%0.80480%0.798SS**  trans-84.8158.8163.232.50000111.1
167P35.4Very low35.1Very low128 Ų128149.1 Ų149.183%0.83180%0.797SS**  trans-132.9145.4137.126.4-9000114.1
168I30.3Very low34.9Very low153 Ų153145 Ų14579%0.78580%0.795SS**  trans-84.9140.4179.4-66159.2000109.4
169A36.8Very low34.6Very low101 Ų101144.8 Ų144.884%0.83579%0.786SS**  trans-145.4130.6155.900000111.5
170Q31.1Very low34.4Very low170 Ų170147.6 Ų147.679%0.79480%0.796SS**  trans-83.5153.6-175.2-60.3161.8-22.500111.7
171K36.8Very low34.2Very low158 Ų158145.5 Ų145.569%0.68779%0.786SS**  166.2140.4115-95.4-178.9165.6-143.40114.9
172E34.5Very low34Very low149 Ų149148.9 Ų148.970%0.69679%0.794SS**  trans53.3138.3137.3-65.6160-16600118.5
173S35.6Very low33.8Very low95 Ų95148.8 Ų148.866%0.66479%0.792SS**  cis171.8162.4-4460000106.9
174L37.3Very low33.6Very low170 Ų170148.8 Ų148.889%0.8979%0.794SS**  trans114.9127.8154.9-58.7158000118
175V33.8Very low33.4Very low125 Ų125144.5 Ų144.576%0.75879%0.786SS**  trans-113.5167-165.9-171.80000105.1
176P36.6Very low33.2Very low121 Ų121143.7 Ų143.779%0.78679%0.787SS**  cis-152.7167.338.640.9-16.5000121.6
177E30.8Very low33.3Very low162 Ų162140 Ų14076%0.75778%0.775SS**  trans-70.9155.7169.2-67171.4127.400113.9
178S32.7Very low33.3Very low126 Ų126142 Ų14288%0.88178%0.777SS**  trans-130.8110148540000109.9
179K28.7Very low34.2Very low148 Ų148139.8 Ų139.864%0.64377%0.767SS**  trans-109.7136.2164.1-92.4-176.6164-160.20107.6E181K179-E181 IonicContact NZ-OE1 3.35Å; K179-E181 PolarHBondContact NZ-OE1 2.96Å
180L33.2Very low35Very low184 Ų184139.6 Ų139.696%0.96376%0.756SS**  trans-120.2109.5157.4-82.8161.9000106.9
181E32Very low35.8Very low144 Ų144140 Ų14067%0.67376%0.755SS**  trans-91.8139.9173.5-81.7169.8178.800109.4K179K179-E181 IonicContact NZ-OE1 3.35Å; K179-E181 PolarHBondContact NZ-OE1 2.96Å
182E29.9Very low36.9Very low193 Ų193139.2 Ų139.290%0.90275%0.754SS**  trans-67.9137166.6-69.1176.5154.100110.7
183L31.9Very low38.3Very low167 Ų167137.9 Ų137.987%0.87475%0.748SS**  trans-118.1127.5166.4-79.9164.4000109
184P30.6Very low39.7Very low108 Ų108138.1 Ų138.170%0.70174%0.741SS**  trans-93.4179.3161.932.7-21.6000110.5
185V32.7Very low41.2Very low122 Ų122139.4 Ų139.474%0.73973%0.734SS**  trans103.1110.8160.4-168.80000115.8
186N32.7Very low42.9Very low162 Ų162139.3 Ų139.387%0.86673%0.729SS**  trans18.7118.1137-56.2-22.6000116.8
187G36Very low44.2Very low53 Ų53142.4 Ų142.455%0.54673%0.725SS.*  trans-177.872.5170.600000112D189G187-D189 VanDerWaalsContact C-N 3.33Å; G187-D189 PolarHBondContact O-N 3.45Å
188I36.4Very low45.7Very low170 Ų170140 Ų14087%0.87272%0.717SS**THydrogen-bonded Turntrans-58.5102.2152.5-60.9166000105.1
189D48.6Very low47.2Very low107 Ų107136.9 Ų136.957%0.57270%0.699SS**THydrogen-bonded Turntrans163.7-4.4159.5-93.6-9.1000114.3G187G187-D189 VanDerWaalsContact C-N 3.33Å; G187-D189 PolarHBondContact O-N 3.45Å
190T53.7Low48.7Very low98 Ų98133.4 Ų133.460%0.60170%0.697SS**Hα-helixtrans-79.5-19.1-174.642.30000115.1
191F47.3Very low49.8Very low177 Ų177133.6 Ų133.678%0.77669%0.69SS**Hα-helixtrans-83.6-38.4-178.3-125.6-91.8000113.7N194 R195F191-N194 PolarHBondContact O-N 3.49Å; F191-R195 PolarHBondContact O-N 2.91Å
192E60Low50.9Low142 Ų142135.2 Ų135.266%0.66470%0.695SS**Hα-helixtrans-69.9-36.8176.8-78.4-165.5147.600112.3N194 R195 L196E192-N194 VanDerWaalsContact C-N 3.27Å; E192-N194 PolarHBondContact O-N 3.48Å; E192-R195 PolarHBondContact O-N 3.01Å; E192-L196 WeakPolarHBondContact O-CB 3.44Å; E192-L196 PolarHBondContact O-N 2.89Å
193Q63.5Low51.7Low122 Ų122135.5 Ų135.557%0.5769%0.694SS**Hα-helixtrans-63-33.5175.5-74.6-174.38.500112.5R197Q193-R197 WeakPolarHBondContact O-CB 3.5Å; Q193-R197 PolarHBondContact O-N 3.09Å
194N66.2Low52Low100 Ų100130.5 Ų130.554%0.53568%0.683SS.*Hα-helixtrans-74.5-37175.5-82-19.9000112.7F191 E192 R197 L198F191-N194 PolarHBondContact O-N 3.49Å; E192-N194 VanDerWaalsContact C-N 3.27Å; E192-N194 PolarHBondContact O-N 3.48Å; N194-R197 PolarHBondContact O-N 3.35Å; N194-L198 PolarHBondContact O-N 3.28Å; N194-L198 VanDerWaalsContact O-N 3.09Å
195R67.1Low52.3Low197 Ų197131 Ų13174%0.74369%0.688SS**Hα-helixtrans-65.3-40.4172.2-86.9-178.865.5176-1.1112.5F191 E192 L198 A199F191-R195 PolarHBondContact O-N 2.91Å; E192-R195 PolarHBondContact O-N 3.01Å; R195-L198 PolarHBondContact O-N 3.39Å; R195-A199 WeakPolarHBondContact O-CB 3.31Å; R195-A199 PolarHBondContact O-N 3.18Å
196L70.1Confident52.4Low122 Ų122135.5 Ų135.564%0.63970%0.698SS**Hα-helixtrans-67.3-38.2177.2-77.4163.4000112.1E192 L198 A199 A200E192-L196 WeakPolarHBondContact O-CB 3.44Å; E192-L196 PolarHBondContact O-N 2.89Å; L196-L198 VanDerWaalsContact C-N 3.35Å; L196-L198 PolarHBondContact O-N 3.18Å; L196-A199 PolarHBondContact O-N 3.03Å; L196-A200 WeakPolarHBondContact O-CB 3.43Å; L196-A200 PolarHBondContact O-N 3.03Å
197R65.2Low52.5Low187 Ų187137.7 Ų137.771%0.70670%0.7SS**Hα-helixtrans-66-34.1173.9-85.6-177.1170.1173.1-0.4113.2Q193 N194 K201Q193-R197 WeakPolarHBondContact O-CB 3.5Å; Q193-R197 PolarHBondContact O-N 3.09Å; N194-R197 PolarHBondContact O-N 3.35Å; R197-K201 PolarHBondContact O-N 3.44Å
198L61.3Low52.3Low112 Ų112140.4 Ų140.459%0.58671%0.711SS**Hα-helixtrans-73.9-39.7175.3-114.8154000112N194 R195 L196 A200 K201 F202N194-L198 PolarHBondContact O-N 3.28Å; N194-L198 VanDerWaalsContact O-N 3.09Å; R195-L198 PolarHBondContact O-N 3.39Å; L196-L198 VanDerWaalsContact C-N 3.35Å; L196-L198 PolarHBondContact O-N 3.18Å; L198-A200 VanDerWaalsContact C-N 3.34Å; L198-A200 PolarHBondContact O-N 3.27Å; L198-K201 PolarHBondContact O-N 3.45Å; L198-F202 HydrophobicContact CD2-CD2 4.49Å; L198-F202 HydrophobicContact CD2-CE2 4.36Å
199A64.9Low52.1Low60 Ų60142.7 Ų142.750%0.49671%0.714SS.*Hα-helixtrans-66.5-33.8174.900000112.7R195 L196 K201 F202R195-A199 WeakPolarHBondContact O-CB 3.31Å; R195-A199 PolarHBondContact O-N 3.18Å; L196-A199 PolarHBondContact O-N 3.03Å; A199-K201 VanDerWaalsContact C-N 3.33Å; A199-F202 PolarHBondContact O-N 3.05Å
200A60.5Low51.5Low75 Ų75146.4 Ų146.462%0.6273%0.728SS**Hα-helixtrans-70.7-26.417600000113.2L196 L198L196-A200 WeakPolarHBondContact O-CB 3.43Å; L196-A200 PolarHBondContact O-N 3.03Å; L198-A200 VanDerWaalsContact C-N 3.34Å; L198-A200 PolarHBondContact O-N 3.27Å
201K55.6Low50.7Low188 Ų188147.1 Ų147.182%0.81773%0.734SS**Hα-helixtrans-80-15.2177.5-82-173.1174.2-177.30114.5R197 L198 A199R197-K201 PolarHBondContact O-N 3.44Å; L198-K201 PolarHBondContact O-N 3.45Å; A199-K201 VanDerWaalsContact C-N 3.33Å
202F55.8Low50Low177 Ų177148.7 Ų148.778%0.77674%0.741SS**SBendtrans-97.3-3.3-179.7-94.1-82.9000115.2L198 A199L198-F202 HydrophobicContact CD2-CD2 4.49Å; L198-F202 HydrophobicContact CD2-CE2 4.36Å; A199-F202 PolarHBondContact O-N 3.05Å
203K45.7Very low48.8Very low200 Ų200147.2 Ų147.287%0.8775%0.746SS**  trans-102.879175-79.8-176175.41790111.4
204G39.1Very low47.6Very low62 Ų62146.7 Ų146.764%0.63975%0.754SS**  trans-160.1117.817100000111.2
205S36.6Very low46.2Very low117 Ų117146.6 Ų146.682%0.81876%0.761SS**  trans78.694.4169.576.70000118.4
206K34.4Very low45Very low218 Ų218145.1 Ų145.195%0.94877%0.767SS**  -170.3148.1109.4-103.2170.8-179.2173.70112.3
207K34.9Very low43.4Very low207 Ų207144.7 Ų144.790%0.977%0.774SS**  trans-74.3151.1-158.7-85.4165.8165.4171.90114.5
208S31.6Very low42Very low111 Ų111142 Ų14278%0.77678%0.781SS**  trans-66.3150.5169.5450000114.7
209K31.8Very low40.9Very low217 Ų217145.7 Ų145.794%0.94380%0.797SS**  trans-150.3126.3144.3-100.2-176.1-179.4-179.80108.2
210E35.5Very low39.6Very low186 Ų186151.7 Ų151.787%0.86982%0.815SS**  trans-111.8177.3-169.8-122.6-169.1-165.300110.4
211P38Very low38.5Very low112 Ų112157.8 Ų157.873%0.72783%0.828SS**  -119.4176.6-119.935-15.6000114.1
212K32.8Very low37.7Very low210 Ų210154.5 Ų154.591%0.91383%0.825SS**  trans-144.1121.5162.6-72.4-171.6177.7179.90111
213S34Very low36.7Very low111 Ų111154.4 Ų154.478%0.77683%0.833SS**  trans-82.6160.1157.351.90000109.2
214P38.4Very low36.4Very low112 Ų112148.1 Ų148.173%0.72783%0.825SS**  -157.2162.478.739.9-17.7000118.7
215S36.9Very low36.3Very low98 Ų98154.9 Ų154.969%0.68584%0.837SS**  trans44.8123.8140.870.60000125
216L41Very low36.5Very low165 Ų165159.8 Ų159.886%0.86484%0.843SS**  55.2109126.1-63.3165.3000121.1
217S37.1Very low36.9Very low113 Ų113156.6 Ų156.679%0.7984%0.835SS**  161.1142.9112.8-67.90000111.5
218P37.1Very low37.3Very low131 Ų131156.8 Ų156.885%0.85184%0.836SS**  trans-92.1137.1-168.535-31.2000113.3
219M37.9Very low38.5Very low190 Ų190160.2 Ų160.294%0.93684%0.84SS**  trans-135.9119.5169.4-112.3170.667.200110.7
220Q35.9Very low39.4Very low186 Ų186154.9 Ų154.987%0.86983%0.83SS**  trans-68.4145.1169-71169.3-27.100111.4
221K39Very low40.7Very low203 Ų203157.1 Ų157.188%0.88383%0.83SS**  trans158.1160.2140.3-91.5175.3-175.6-177.90110.4
222P38.5Very low41.4Very low118 Ų118161.7 Ų161.777%0.76683%0.833SS**  -131.6178.6-59.932.1-10.9000111.5
223N35.2Very low42.6Very low175 Ų175162.9 Ų162.994%0.93683%0.832SS**  trans-19.7124.4169.9-82.1-19.4000117.8
224G39.4Very low43.4Very low69 Ų69162.3 Ų162.371%0.71182%0.82SS**  trans176.5102.1164.300000114.9
225K35.3Very low44.1Very low203 Ų203163.1 Ų163.188%0.88382%0.818SS**  trans50.8106161.2-71.1177.8177175.30117.8I227K225-I227 PolarHBondContact O-N 3.49Å
226K41.1Very low45Very low220 Ų220161.7 Ų161.796%0.95781%0.809SS**  trans-54.7110.9163.8-76.7-173.3175.9-176.40110.1
227I43.4Very low45.7Very low152 Ų152157.3 Ų157.378%0.77980%0.796SS**  trans-66.2132.6165.1-67.2168.2000107.2K225 E229K225-I227 PolarHBondContact O-N 3.49Å; I227-E229 PolarHBondContact O-N 3.02Å
228K44.1Very low46.7Very low211 Ų211155.8 Ų155.892%0.91778%0.782SS**  trans-64.8102.8172.3-95.1-178.7173.8177.30108.5
229E55.8Low47.8Very low182 Ų182152.5 Ų152.585%0.8577%0.772SS**PPolyproline II helixtrans-75.4137.9165.7-71.2-175.4163.900110.1I227I227-E229 PolarHBondContact O-N 3.02Å
230S51.5Low49.2Very low106 Ų106151.5 Ų151.574%0.74177%0.765SS**PPolyproline II helixtrans-66.9132175.949.60000111R232S230-R232 PolarHBondContact O-N 2.92Å
231R62.8Low50.5Low232 Ų232147.7 Ų147.788%0.87575%0.747SS**PPolyproline II helixtrans-51.6123.2172.5-101.2178168.6172.6-4.6110.8
232R52.5Low51.7Low209 Ų209139 Ų13979%0.78971%0.713SS**PPolyproline II helixtrans-85.1143.2166.6-61-175.1-178.7-178.13.4109.6S230 D234S230-R232 PolarHBondContact O-N 2.92Å; R232-D234 WeakPolarHBondContact CB-OD1 3.42Å
233W57.5Low53.1Low235 Ų235136.3 Ų136.389%0.8970%0.701SS**  trans-111.811.4177.9-8155.5000111.7
234D50.2Low54.6Low98 Ų98131.6 Ų131.652%0.52469%0.686SS.*SBendtrans-77.6130.3171.257-2.9000109.3R232 S236R232-D234 WeakPolarHBondContact CB-OD1 3.42Å; D234-S236 PolarHBondContact O-N 3.49Å
235N53.9Low55.8Low129 Ų129132.6 Ų132.669%0.6968%0.675SS**SBendtrans-7242.8-172.9-72.1-35.7000113.6F479N235-F479 HydrophobicContact CB-CZ 4.15Å
236S55.1Low57Low69 Ų69125 Ų12548%0.48364%0.644SS.*  trans-125.472-176.849.10000110.2D234 T238D234-S236 PolarHBondContact O-N 3.49Å; S236-T238 PolarHBondContact O-N 3.36Å
237A56.1Low58.2Low72 Ų72120.7 Ų120.760%0.59563%0.625SS**  trans-69.4116.8160.400000107.7
238T58.2Low58.9Low81 Ų81114.9 Ų114.950%0.49760%0.599SS.*  trans-72.1154.6174.654.10000109.8S236 E240 E241 A242S236-T238 PolarHBondContact O-N 3.36Å; T238-E240 PolarHBondContact O-N 2.81Å; T238-E241 PolarHBondContact N-OE2 2.78Å; T238-E241 VanDerWaalsContact N-OE2 3.14Å; T238-E241 PolarHBondContact O-N 3.49Å; T238-E241 PolarHBondContact OG1-OE2 3.3Å; T238-A242 PolarHBondContact O-N 2.89Å
239G61.2Low59.3Low62 Ų62108 Ų10864%0.63959%0.588SS**Hα-helixtrans-53.9-30.1-173.100000115.1A243G239-A243 VanDerWaalsContact O-CB 3.29Å; G239-A243 WeakPolarHBondContact O-CB 3.41Å; G239-A243 PolarHBondContact O-N 3.13Å
240E65.6Low58.8Low169 Ų169106.4 Ų106.479%0.7958%0.582SS**Hα-helixtrans-71.5-39.8173.9-78-175.5159.100113T238 A243 A244T238-E240 PolarHBondContact O-N 2.81Å; E240-A243 PolarHBondContact O-N 3.34Å; E240-A244 WeakPolarHBondContact O-CB 3.44Å; E240-A244 PolarHBondContact O-N 3.02Å
241E63.9Low58.4Low107 Ų107107.4 Ų107.450%0.558%0.579SS.*Hα-helixtrans-68.7-39176.1-67.8172.5146.300111.1T238 A244 L245T238-E241 PolarHBondContact N-OE2 2.78Å; T238-E241 VanDerWaalsContact N-OE2 3.14Å; T238-E241 PolarHBondContact O-N 3.49Å; T238-E241 PolarHBondContact OG1-OE2 3.3Å; E241-A244 PolarHBondContact O-N 3.33Å; E241-L245 VanDerWaalsContact O-CG 3.32Å; E241-L245 WeakPolarHBondContact O-CG 3.28Å; E241-L245 PolarHBondContact O-N 3.29Å
242A65.1Low57.1Low19 Ų19105 Ų10516%0.15758%0.578CS.*Hα-helixtrans-63.2-42.4173.500000111.5T238 L245 D246T238-A242 PolarHBondContact O-N 2.89Å; A242-L245 PolarHBondContact O-N 3.46Å; A242-D246 PolarHBondContact O-N 3.16Å
243A66.6Low56.3Low63 Ų63101 Ų10152%0.52158%0.576SS.*Hα-helixtrans-67.4-36.4175.700000112.7G239 E240 L245 D246G239-A243 VanDerWaalsContact O-CB 3.29Å; G239-A243 WeakPolarHBondContact O-CB 3.41Å; G239-A243 PolarHBondContact O-N 3.13Å; E240-A243 PolarHBondContact O-N 3.34Å; A243-L245 PolarHBondContact O-N 2.62Å; A243-D246 WeakPolarHBondContact O-CB 3.5Å; A243-D246 PolarHBondContact O-N 2.61Å; A243-D246 VanDerWaalsContact O-N 3.12Å
244A67.1Low55Low76 Ų7699.2 Ų99.263%0.62858%0.578SS**Hα-helixtrans-67.9-21.617600000113.3E240 E241E240-A244 WeakPolarHBondContact O-CB 3.44Å; E240-A244 PolarHBondContact O-N 3.02Å; E241-A244 PolarHBondContact O-N 3.33Å
245L65Low54.1Low89 Ų8998.4 Ų98.447%0.46658%0.579SS.*THydrogen-bonded Turntrans-94.4-3.9174-64.8172.7000112.9E241 A242 A243 F247E241-L245 VanDerWaalsContact O-CG 3.32Å; E241-L245 WeakPolarHBondContact O-CG 3.28Å; E241-L245 PolarHBondContact O-N 3.29Å; A242-L245 PolarHBondContact O-N 3.46Å; A243-L245 PolarHBondContact O-N 2.62Å; L245-F247 WeakPolarHBondContact O-CD2 3.3Å
246D59.6Low53Low45 Ų4599.2 Ų99.224%0.24159%0.59CS.*  trans-90.7104.2-179.1-169.1-4.2000111.1A242 A243 S248 G515 Y516A242-D246 PolarHBondContact O-N 3.16Å; A243-D246 WeakPolarHBondContact O-CB 3.5Å; A243-D246 PolarHBondContact O-N 2.61Å; A243-D246 VanDerWaalsContact O-N 3.12Å; D246-S248 VanDerWaalsContact CG-OG 3.24Å; D246-S248 WeakPolarHBondContact OD1-CB 3.45Å; D246-S248 PolarHBondContact OD1-N 3.08Å; D246-S248 PolarHBondContact OD1-OG 3.5Å; D246-S248 PolarHBondContact OD2-OG 3.3Å; D246-G515 WeakPolarHBondContact OD2-CA 3.47Å; D246-Y516 HydrophobicContact CB-CD2 4Å; D246-Y516 PolarHBondContact OD2-N 3.22Å
247F66.1Low51.8Low128 Ų12898.8 Ų98.856%0.56160%0.596SS**  trans-92.37.5178-64.3-81.6000113.3L245 G249L245-F247 WeakPolarHBondContact O-CD2 3.3Å; F247-G249 VanDerWaalsContact C-N 3.26Å; F247-G249 PolarHBondContact O-N 2.97Å
248S60.1Low50.6Low31 Ų31101.5 Ų101.522%0.21760%0.6CS.*G310 helixtrans-63.2-27.2-177.161.30000113.9D246 M250D246-S248 VanDerWaalsContact CG-OG 3.24Å; D246-S248 WeakPolarHBondContact OD1-CB 3.45Å; D246-S248 PolarHBondContact OD1-N 3.08Å; D246-S248 PolarHBondContact OD1-OG 3.5Å; D246-S248 PolarHBondContact OD2-OG 3.3Å; S248-M250 PolarHBondContact O-N 2.97Å
249G50.6Low49.9Very low67 Ų67103.6 Ų103.669%0.69161%0.605SS**G310 helixtrans-77.1-10.5-175.700000116.7F247F247-G249 VanDerWaalsContact C-N 3.26Å; F247-G249 PolarHBondContact O-N 2.97Å
250M46Very low49.2Very low148 Ų148108.5 Ų108.573%0.72961%0.608SS**G310 helixtrans-91.53.1-163.3-13798.483.700116.1S248S248-M250 PolarHBondContact O-N 2.97Å
251N42.7Very low48.2Very low126 Ų126104.2 Ų104.267%0.67460%0.597SS**  trans-135.816.4-172.9-78-35.7000116.6T253N251-T253 VanDerWaalsContact C-N 3.35Å; N251-T253 PolarHBondContact O-N 3.12Å; N251-T253 VanDerWaalsContact O-N 3.11Å
252H36.7Very low47.9Very low183 Ų183104 Ų10485%0.84760%0.599SS**  trans-85.176.8171.2-86.5-72.9000111.4
253T35.2Very low48Very low123 Ų123105.9 Ų105.976%0.75560%0.603SS**  trans-114.6120.1156.9290000108N251 S255N251-T253 VanDerWaalsContact C-N 3.35Å; N251-T253 PolarHBondContact O-N 3.12Å; N251-T253 VanDerWaalsContact O-N 3.11Å; T253-S255 PolarHBondContact O-N 2.85Å; T253-S255 VanDerWaalsContact O-N 3.08Å
254E30.4Very low48.4Very low199 Ų199110.7 Ų110.793%0.9362%0.62SS**  trans-55.8105.5177.9-64.7175.5152.600110.8
255S32Very low49.1Very low80 Ų80108.9 Ų108.956%0.55960%0.598SS**  trans-104.282.1171.556.90000110.7T253 G257T253-S255 PolarHBondContact O-N 2.85Å; T253-S255 VanDerWaalsContact O-N 3.08Å; S255-G257 PolarHBondContact O-N 3.02Å; S255-G257 VanDerWaalsContact O-N 3.13Å
256T29Very low49.8Very low147 Ų147107 Ų10790%0.90259%0.592SS**  trans-70.694.615742.10000108.9
257G29.9Very low50.8Low60 Ų60108.8 Ų108.862%0.61961%0.613SS**SBendtrans150.5107.5168.900000114.6S255S255-G257 PolarHBondContact O-N 3.02Å; S255-G257 VanDerWaalsContact O-N 3.13Å
258N31.3Very low51.5Low128 Ų128107.3 Ų107.368%0.68462%0.615SS**  trans72.971167-137.414.6000116.8K260 S261N258-K260 PolarHBondContact O-N 2.87Å; N258-S261 PolarHBondContact O-N 2.93Å; N258-S261 PolarHBondContact O-OG 3.48Å; N258-S261 VanDerWaalsContact O-OG 3.05Å
259Q44.9Very low52.6Low126 Ų126108.8 Ų108.859%0.58962%0.618SS**THydrogen-bonded Turntrans-56.8-10.2-178.2-72.6-178.61200116.4Y263Q259-Y263 WeakPolarHBondContact O-CD2 3.19Å; Q259-Y263 WeakPolarHBondContact O-CE2 3.47Å
260K46.4Very low54.1Low165 Ų165108.5 Ų108.572%0.71760%0.6SS**THydrogen-bonded Turntrans-81.7-21.6178.2-77.1-176.8178.41750114.1N258N258-K260 PolarHBondContact O-N 2.87Å
261S42.9Very low55.8Low78 Ų78106.2 Ų106.255%0.54559%0.588SS.*THydrogen-bonded Turntrans-84.1-9.1-176.2510000115.1N258N258-S261 PolarHBondContact O-N 2.93Å; N258-S261 PolarHBondContact O-OG 3.48Å; N258-S261 VanDerWaalsContact O-OG 3.05Å
262D58.7Low57.7Low104 Ų104103.9 Ų103.956%0.55658%0.578SS**THydrogen-bonded Turntrans-90.1-4.5-173.8-75.2-7.7000114.1N264D262-N264 PolarHBondContact O-N 3.31Å
263Y67Low59.9Low58 Ų5895.6 Ų95.623%0.22754%0.54CS..  trans-94.999.3-178.6-64.1-71.1000111.8Q259 F265 R492 N495 Y496Q259-Y263 WeakPolarHBondContact O-CD2 3.19Å; Q259-Y263 WeakPolarHBondContact O-CE2 3.47Å; Y263-F265 HydrophobicContact CD1-CD2 4.3Å; Y263-F265 AromaticContact CD1-CE2 3.39Å; Y263-F265 HydrophobicContact CD1-CE2 3.39Å; Y263-F265 AromaticContact CD1-CZ 3.78Å; Y263-F265 HydrophobicContact CD1-CZ 3.78Å; Y263-F265 HydrophobicContact CE1-CE2 4.29Å; Y263-F265 HydrophobicContact CG-CD2 4.2Å; Y263-F265 AromaticContact CG-CE2 3.7Å; Y263-F265 HydrophobicContact CG-CE2 3.7Å; Y263-F265 HydrophobicContact CG-CZ 4.48Å; Y263-F265 PolarHBondContact O-N 2.89Å; Y263-R492 HydrophobicContact CD1-CB 4.5Å; Y263-R492 HydrophobicContact CE1-CB 4.17Å; Y263-R492 WeakPolarHBondContact CE1-O 3.17Å; Y263-N495 WeakPolarHBondContact OH-CB 3.46Å; Y263-Y496 AromaticContact CD2-CD2 3.84Å; Y263-Y496 HydrophobicContact CD2-CD2 3.84Å; Y263-Y496 HydrophobicContact CE2-CD2 4.28Å; Y263-Y496 AromaticContact CG-CD2 3.99Å; Y263-Y496 HydrophobicContact CG-CD2 3.99Å
264N75.3Confident62.1Low164 Ų16492.8 Ų92.888%0.87753%0.526SS*.  trans-76.959172.2-70.8-20.6000112.1D262D262-N264 PolarHBondContact O-N 3.31Å
265F80.5Confident64.7Low37 Ų3791.4 Ų91.416%0.16251%0.512CS..  trans-91.5146.5174.6-63.2-49000111.6Y263 E269 I270 L273 R492 K493 Y496Y263-F265 HydrophobicContact CD1-CD2 4.3Å; Y263-F265 AromaticContact CD1-CE2 3.39Å; Y263-F265 HydrophobicContact CD1-CE2 3.39Å; Y263-F265 AromaticContact CD1-CZ 3.78Å; Y263-F265 HydrophobicContact CD1-CZ 3.78Å; Y263-F265 HydrophobicContact CE1-CE2 4.29Å; Y263-F265 HydrophobicContact CG-CD2 4.2Å; Y263-F265 AromaticContact CG-CE2 3.7Å; Y263-F265 HydrophobicContact CG-CE2 3.7Å; Y263-F265 HydrophobicContact CG-CZ 4.48Å; Y263-F265 PolarHBondContact O-N 2.89Å; F265-E269 HydrophobicContact CB-CB 4.19Å; F265-I270 HydrophobicContact CB-CD1 4.28Å; F265-I270 HydrophobicContact CB-CG1 3.79Å; F265-L273 HydrophobicContact CD2-CD1 4.26Å; F265-L273 HydrophobicContact CE2-CD1 4.3Å; F265-L273 HydrophobicContact CG-CD1 4.46Å; F265-R492 HydrophobicContact CZ-CB 4.35Å; F265-K493 HydrophobicContact CE1-CG 3.74Å; F265-K493 HydrophobicContact CZ-CG 3.78Å; F265-Y496 HydrophobicContact CD2-CD2 4.01Å; F265-Y496 HydrophobicContact CD2-CE2 4.41Å; F265-Y496 HydrophobicContact CD2-CG 4.09Å; F265-Y496 HydrophobicContact CE2-CD1 4.46Å; F265-Y496 AromaticContact CE2-CD2 3.91Å; F265-Y496 HydrophobicContact CE2-CD2 3.91Å; F265-Y496 AromaticContact CE2-CG 3.77Å; F265-Y496 HydrophobicContact CE2-CG 3.77Å
266S80.5Confident67Low50 Ų5088.9 Ų88.935%0.3549%0.492SS..  trans-67.5156.3170.458.60000111.4T268 E269 I270S266-T268 PolarHBondContact O-N 3Å; S266-T268 PolarHBondContact OG-OG1 3.29Å; S266-E269 PolarHBondContact N-OE2 3.14Å; S266-E269 WeakPolarHBondContact O-CB 3.32Å; S266-E269 PolarHBondContact O-N 3.45Å; S266-E269 VanDerWaalsContact O-N 3.08Å; S266-E269 WeakPolarHBondContact OG-CB 3.18Å; S266-E269 WeakPolarHBondContact OG-CG 3.45Å; S266-E269 PolarHBondContact OG-N 2.84Å; S266-E269 PolarHBondContact OG-OE2 3.49Å; S266-I270 PolarHBondContact O-N 3.47Å
267A79.7Confident69.5Low83 Ų8388 Ų8869%0.68647%0.472SS*.Hα-helixtrans-57.3-36.8179.400000112.7I270 E271A267-I270 PolarHBondContact O-N 3.02Å; A267-E271 PolarHBondContact O-N 3.36Å; A267-E271 VanDerWaalsContact O-N 3.1Å
268T81.9Confident71.8Confident96 Ų9686.5 Ų86.559%0.58946%0.457SS*.Hα-helixtrans-69.3-38.3175.949.80000112.4S266 E271 T272S266-T268 PolarHBondContact O-N 3Å; S266-T268 PolarHBondContact OG-OG1 3.29Å; T268-E271 PolarHBondContact O-N 2.91Å; T268-T272 WeakPolarHBondContact O-CG2 3.42Å; T268-T272 PolarHBondContact O-N 3.24Å; T268-T272 PolarHBondContact O-OG1 3.18Å
269E82.4Confident74.2Confident63 Ų6384 Ų8429%0.29445%0.446SS..Hα-helixtrans-65.1-41.5172.8-78.7175.4122.900111.8F265 S266 E271 T272 L273 K493F265-E269 HydrophobicContact CB-CB 4.19Å; S266-E269 PolarHBondContact N-OE2 3.14Å; S266-E269 WeakPolarHBondContact O-CB 3.32Å; S266-E269 PolarHBondContact O-N 3.45Å; S266-E269 VanDerWaalsContact O-N 3.08Å; S266-E269 WeakPolarHBondContact OG-CB 3.18Å; S266-E269 WeakPolarHBondContact OG-CG 3.45Å; S266-E269 PolarHBondContact OG-N 2.84Å; S266-E269 PolarHBondContact OG-OE2 3.49Å; E269-E271 VanDerWaalsContact C-N 3.34Å; E269-E271 PolarHBondContact O-N 2.84Å; E269-T272 WeakPolarHBondContact CA-OG1 3.29Å; E269-T272 PolarHBondContact O-N 3.09Å; E269-T272 PolarHBondContact O-OG1 3.14Å; E269-L273 VanDerWaalsContact O-CB 3.28Å; E269-L273 WeakPolarHBondContact O-CB 3.46Å; E269-L273 WeakPolarHBondContact O-CG 3.36Å; E269-L273 PolarHBondContact O-N 2.94Å; E269-K493 IonicContact OE1-NZ 2.73Å; E269-K493 PolarHBondContact OE1-NZ 3.36Å
270I82.9Confident75.9Confident60 Ų6078.4 Ų78.431%0.30842%0.42SS..Hα-helixtrans-59.6-46.8176.5-74.4167.7000110.9F265 S266 A267 S274 Y496F265-I270 HydrophobicContact CB-CD1 4.28Å; F265-I270 HydrophobicContact CB-CG1 3.79Å; S266-I270 PolarHBondContact O-N 3.47Å; A267-I270 PolarHBondContact O-N 3.02Å; I270-S274 VanDerWaalsContact O-CB 3.27Å; I270-S274 WeakPolarHBondContact O-CB 3.36Å; I270-S274 PolarHBondContact O-N 3.34Å; I270-S274 PolarHBondContact O-OG 3.5Å; I270-Y496 WeakPolarHBondContact CG2-OH 3.4Å
271E81.1Confident77.1Confident100 Ų10076.8 Ų76.847%0.46741%0.413SS..Hα-helixtrans-63.4-46.6180-175.5174.8-167.100111.7A267 T268 E269 S274 R275A267-E271 PolarHBondContact O-N 3.36Å; A267-E271 VanDerWaalsContact O-N 3.1Å; T268-E271 PolarHBondContact O-N 2.91Å; E269-E271 VanDerWaalsContact C-N 3.34Å; E269-E271 PolarHBondContact O-N 2.84Å; E271-S274 PolarHBondContact O-N 3.23Å; E271-R275 VanDerWaalsContact O-CG 3.31Å; E271-R275 WeakPolarHBondContact O-CG 3.4Å; E271-R275 PolarHBondContact O-N 3.45Å; E271-R275 VanDerWaalsContact O-N 3.12Å; E271-R275 IonicContact OE1-CZ 2.58Å; E271-R275 IonicContact OE1-NE 3.11Å; E271-R275 IonicContact OE1-NH2 2.63Å; E271-R275 PolarHBondContact OE1-NH2 2.98Å
272T83.2Confident78.6Confident78 Ų7879.5 Ų79.548%0.47942%0.421SS..Hα-helixtrans-64.2-45.8178.549.60000112.3T268 E269 S274 R275 L276T268-T272 WeakPolarHBondContact O-CG2 3.42Å; T268-T272 PolarHBondContact O-N 3.24Å; T268-T272 PolarHBondContact O-OG1 3.18Å; E269-T272 WeakPolarHBondContact CA-OG1 3.29Å; E269-T272 PolarHBondContact O-N 3.09Å; E269-T272 PolarHBondContact O-OG1 3.14Å; T272-S274 VanDerWaalsContact C-N 3.34Å; T272-S274 PolarHBondContact O-N 3.46Å; T272-R275 PolarHBondContact O-N 3.24Å; T272-L276 WeakPolarHBondContact O-CG 3.48Å; T272-L276 PolarHBondContact O-N 2.85Å
273L83.5Confident79.4Confident9 Ų980.5 Ų80.55%0.04743%0.427CS..Hα-helixtrans-62.6-41176.9-68.4171.4000111.6F265 E269 R275 L276 K493 Y496 I497 Y642F265-L273 HydrophobicContact CD2-CD1 4.26Å; F265-L273 HydrophobicContact CE2-CD1 4.3Å; F265-L273 HydrophobicContact CG-CD1 4.46Å; E269-L273 VanDerWaalsContact O-CB 3.28Å; E269-L273 WeakPolarHBondContact O-CB 3.46Å; E269-L273 WeakPolarHBondContact O-CG 3.36Å; E269-L273 PolarHBondContact O-N 2.94Å; L273-R275 VanDerWaalsContact C-N 3.3Å; L273-R275 PolarHBondContact O-N 3.31Å; L273-L276 HydrophobicContact CD2-CD1 4.48Å; L273-L276 PolarHBondContact O-N 3.27Å; L273-K493 HydrophobicContact CD1-CB 4.4Å; L273-K493 HydrophobicContact CD1-CG 4.12Å; L273-K493 HydrophobicContact CD2-CB 4.07Å; L273-K493 HydrophobicContact CD2-CD 4.32Å; L273-K493 HydrophobicContact CD2-CG 4.32Å; L273-Y496 HydrophobicContact CB-CD1 3.96Å; L273-Y496 HydrophobicContact CB-CE1 4.14Å; L273-Y496 HydrophobicContact CD1-CD1 3.96Å; L273-Y496 HydrophobicContact CD1-CE1 4.5Å; L273-I497 HydrophobicContact CB-CD1 4.49Å; L273-I497 HydrophobicContact CB-CG1 4.01Å; L273-I497 HydrophobicContact CD2-CD1 3.77Å; L273-I497 HydrophobicContact CD2-CG1 4.13Å; L273-Y642 HydrophobicContact CD2-CE2 4.4Å
274S80.5Confident79.8Confident64 Ų6478.3 Ų78.345%0.44842%0.419SS..Hα-helixtrans-65.3-33.5179.7-56.90000112.4I270 E271 T272I270-S274 VanDerWaalsContact O-CB 3.27Å; I270-S274 WeakPolarHBondContact O-CB 3.36Å; I270-S274 PolarHBondContact O-N 3.34Å; I270-S274 PolarHBondContact O-OG 3.5Å; E271-S274 PolarHBondContact O-N 3.23Å; T272-S274 VanDerWaalsContact C-N 3.34Å; T272-S274 PolarHBondContact O-N 3.46Å
275R84.5Confident79.8Confident170 Ų17075 Ų7564%0.64240%0.401SS*.Hα-helixtrans-71.9-25.8176.4-72174-175-1662.3113.6E271 T272 L273 R277E271-R275 VanDerWaalsContact O-CG 3.31Å; E271-R275 WeakPolarHBondContact O-CG 3.4Å; E271-R275 PolarHBondContact O-N 3.45Å; E271-R275 VanDerWaalsContact O-N 3.12Å; E271-R275 IonicContact OE1-CZ 2.58Å; E271-R275 IonicContact OE1-NE 3.11Å; E271-R275 IonicContact OE1-NH2 2.63Å; E271-R275 PolarHBondContact OE1-NH2 2.98Å; T272-R275 PolarHBondContact O-N 3.24Å; L273-R275 VanDerWaalsContact C-N 3.3Å; L273-R275 PolarHBondContact O-N 3.31Å; R275-R277 VanDerWaalsContact C-N 3.26Å; R275-R277 PolarHBondContact O-N 3.05Å
276L82.1Confident79.6Confident27 Ų2778.3 Ų78.314%0.14142%0.417CS..Hα-helixtrans-69.5-26179.2-72.2172.1000112.2T272 L273 G278 T279 F462 I497 Y642T272-L276 WeakPolarHBondContact O-CG 3.48Å; T272-L276 PolarHBondContact O-N 2.85Å; L273-L276 HydrophobicContact CD2-CD1 4.48Å; L273-L276 PolarHBondContact O-N 3.27Å; L276-G278 PolarHBondContact O-N 3.2Å; L276-T279 VanDerWaalsContact O-CB 3.31Å; L276-T279 WeakPolarHBondContact O-CB 3.4Å; L276-T279 WeakPolarHBondContact O-CG2 3.28Å; L276-T279 PolarHBondContact O-N 3.23Å; L276-T279 VanDerWaalsContact O-N 3.08Å; L276-T279 PolarHBondContact O-OG1 3.36Å; L276-F462 HydrophobicContact CB-CZ 4.17Å; L276-F462 WeakPolarHBondContact O-CZ 3.42Å; L276-I497 HydrophobicContact CD1-CD1 4.42Å; L276-Y642 HydrophobicContact CD1-CD2 4.08Å
277R80.1Confident79.3Confident127 Ų12776.3 Ų76.348%0.47940%0.403SS..THydrogen-bonded Turntrans-58.9125.9-177.1-169.1178.4173.4-143.8-5.9111.5R275 I497 Q502R275-R277 VanDerWaalsContact C-N 3.26Å; R275-R277 PolarHBondContact O-N 3.05Å; R277-I497 HydrophobicContact CB-CG2 3.92Å; R277-I497 HydrophobicContact CG-CG2 4.25Å; R277-Q502 VanDerWaalsContact CZ-NE2 3.31Å
278G79.2Confident78.8Confident29 Ų2978.9 Ų78.930%0.29941%0.405SS..THydrogen-bonded Turntrans86.4-3.4179.900000115.1L276 M280 E466L276-G278 PolarHBondContact O-N 3.2Å; G278-M280 PolarHBondContact O-N 3.31Å; G278-E466 WeakPolarHBondContact CA-OE2 3.34Å; G278-E466 PolarHBondContact N-OE1 3.05Å; G278-E466 PolarHBondContact N-OE2 3.4Å
279T80.5Confident78Confident75 Ų7575.5 Ų75.546%0.4638%0.384SS..THydrogen-bonded Turntrans-69.4-16.5-175.654.70000114.5L276L276-T279 VanDerWaalsContact O-CB 3.31Å; L276-T279 WeakPolarHBondContact O-CB 3.4Å; L276-T279 WeakPolarHBondContact O-CG2 3.28Å; L276-T279 PolarHBondContact O-N 3.23Å; L276-T279 VanDerWaalsContact O-N 3.08Å; L276-T279 PolarHBondContact O-OG1 3.36Å
280M81.2Confident76.6Confident10 Ų1078.2 Ų78.25%0.04941%0.41CS..THydrogen-bonded Turntrans-125.227.9-179-73.5-161.4-74.600113.7G278 L284 F462 W463 E466 Y642 L645G278-M280 PolarHBondContact O-N 3.31Å; M280-L284 HydrophobicContact CG-CD2 4.24Å; M280-L284 HydrophobicContact SD-CD2 3.51Å; M280-L284 VanDerWaalsContact SD-CD2 3.51Å; M280-F462 HydrophobicContact CE-CB 4.29Å; M280-F462 HydrophobicContact CE-CD1 2.97Å; M280-F462 HydrophobicContact CE-CE1 3.34Å; M280-F462 HydrophobicContact CE-CG 3.94Å; M280-W463 HydrophobicContact CE-CB 3.88Å; M280-W463 HydrophobicContact SD-CB 4.03Å; M280-W463 HydrophobicContact SD-CG 4.46Å; M280-E466 HydrophobicContact CB-CB 4.27Å; M280-E466 HydrophobicContact CB-CG 4.23Å; M280-Y642 WeakPolarHBondContact CE-O 3.44Å; M280-L645 HydrophobicContact SD-CB 4.43Å
281K70.4Confident74.8Confident131 Ų13177.4 Ų77.457%0.5741%0.41SS*.SBendtrans-69.7-36.7172.8-75.5-174.9174.2-175.80112.5E466 K467K281-E466 WeakPolarHBondContact CG-OE2 3.33Å; K281-K467 WeakPolarHBondContact O-CE 3.42Å; K281-K467 PolarHBondContact O-NZ 3.29Å
282D74.9Confident73Confident134 Ų13475.6 Ų75.672%0.71742%0.418SS*.SBendtrans-77.2176.3175.4-62.8-34.6000110.5K467D282-K467 WeakPolarHBondContact O-CE 3.18Å; D282-K467 PolarHBondContact O-NZ 2.96Å
283D76.6Confident70.9Confident126 Ų12679.1 Ų79.167%0.67443%0.434SS*.PPolyproline II helixtrans-63.9150175.1-66.7-26.1000110.1D285 K467D283-D285 PolarHBondContact O-N 2.89Å; D283-K467 IonicContact OD1-NZ 2.75Å; D283-K467 PolarHBondContact OD1-NZ 3.48Å
284L75.8Confident68.8Low12 Ų1287 Ų876%0.06347%0.47CS..PPolyproline II helixtrans-63.5127.7-178.8-71.3175.7000109.4M280 W463 F635 L645 Q647M280-L284 HydrophobicContact CG-CD2 4.24Å; M280-L284 HydrophobicContact SD-CD2 3.51Å; M280-L284 VanDerWaalsContact SD-CD2 3.51Å; L284-W463 HydrophobicContact CD1-CD2 4.35Å; L284-W463 HydrophobicContact CD1-CG 4.47Å; L284-W463 HydrophobicContact CD1-CZ2 4.31Å; L284-W463 HydrophobicContact CD2-CG 4.24Å; L284-F635 HydrophobicContact CD1-CD1 3.74Å; L284-F635 HydrophobicContact CD1-CE1 3.58Å; L284-L645 HydrophobicContact CD1-CD2 4.35Å; L284-Q647 HydrophobicContact CB-CG 3.94Å; L284-Q647 HydrophobicContact CD1-CG 4.3Å
285D74.4Confident66.8Low95 Ų9589.7 Ų89.751%0.50848%0.48SS..PPolyproline II helixtrans-59.6147.9175-54.7-41000110.6D283 R646 Q647D283-D285 PolarHBondContact O-N 2.89Å; D285-R646 WeakPolarHBondContact O-CA 3.27Å; D285-R646 WeakPolarHBondContact O-CB 3.25Å; D285-R646 WeakPolarHBondContact O-CD 3.39Å; D285-R646 IonicContact OD2-CZ 3.54Å; D285-R646 IonicContact OD2-NH1 3.02Å; D285-R646 PolarHBondContact OD2-NH1 3.06Å; D285-R646 IonicContact OD2-NH2 3.71Å; D285-R646 PolarHBondContact OD2-NH2 3.25Å; D285-Q647 PolarHBondContact O-N 2.91Å
286E76.9Confident64.9Low105 Ų10584.1 Ų84.149%0.49147%0.465SS..BIsolated β-bridgetrans-72.7143170.9-78.7-170.2-160.100111.1N288 Q647 S649E286-N288 PolarHBondContact O-N 3.39Å; E286-N288 VanDerWaalsContact O-N 3.15Å; E286-Q647 WeakPolarHBondContact CA-O 3.46Å; E286-S649 WeakPolarHBondContact OE2-CB 3.49Å; E286-S649 PolarHBondContact OE2-OG 2.9Å
287V74Confident63Low9 Ų988.4 Ų88.46%0.05549%0.488CS..  trans-67.2114.2173.4179.30000110F612 V636 T638 R646 Q647 S649V287-F612 HydrophobicContact CG1-CD1 3.74Å; V287-F612 HydrophobicContact CG1-CE1 3.47Å; V287-F612 VanDerWaalsContact CG1-CE1 3.47Å; V287-F612 HydrophobicContact CG1-CZ 4.28Å; V287-V636 HydrophobicContact CG2-CB 3.77Å; V287-V636 HydrophobicContact CG2-CG1 3.84Å; V287-V636 HydrophobicContact CG2-CG2 4.24Å; V287-T638 HydrophobicContact CG2-CG2 3.82Å; V287-R646 HydrophobicContact CG2-CB 3.29Å; V287-R646 HydrophobicContact CG2-CG 3.93Å; V287-Q647 WeakPolarHBondContact CG2-O 3.35Å; V287-Q647 PolarHBondContact N-O 2.93Å; V287-S649 VanDerWaalsContact O-CB 3.3Å; V287-S649 WeakPolarHBondContact O-CB 3.25Å
288N69.8Low61Low137 Ų13785.6 Ų85.673%0.73349%0.488SS*.  trans-87.4120.1165-71.3-38.1000109.4E286 S290E286-N288 PolarHBondContact O-N 3.39Å; E286-N288 VanDerWaalsContact O-N 3.15Å; N288-S290 PolarHBondContact O-N 3.1Å
289V64.4Low59.2Low24 Ų2488.4 Ų88.415%0.14550%0.496CS..  trans-80.8103.1171.8-170.40000107.4S291 F612 V619 A652 A656V289-S291 PolarHBondContact O-N 3.06Å; V289-F612 HydrophobicContact CG2-CE1 4.09Å; V289-F612 HydrophobicContact CG2-CZ 4.18Å; V289-V619 HydrophobicContact CG1-CG1 4.19Å; V289-V619 HydrophobicContact CG2-CG1 4.15Å; V289-A652 HydrophobicContact CG2-CB 4.25Å; V289-A656 HydrophobicContact CB-CB 3.93Å; V289-A656 HydrophobicContact CG1-CB 3.64Å; V289-A656 HydrophobicContact CG2-CB 4.17Å
290S53.4Low57.4Low121 Ų12188.3 Ų88.385%0.84649%0.49SS*.  trans-73.986.7179.2178.90000110.2N288N288-S290 PolarHBondContact O-N 3.1Å
291S45.6Very low55.4Low42 Ų4293.9 Ų93.929%0.29452%0.519SS..  trans-81.5125.8163.2620000108.5V289 K659V289-S291 PolarHBondContact O-N 3.06Å; S291-K659 PolarHBondContact OG-NZ 3.44Å
292G42Very low54Low62 Ų6295.3 Ų95.364%0.63953%0.525SS*.  trans-51.6141.9167.100000110.7E294G292-E294 PolarHBondContact O-N 3.45Å
293D38.8Very low52.6Low152 Ų15292 Ų9281%0.81351%0.506SS*.  trans-68.481.8175.8-67.3-39.7000109.2
294E40.3Very low51Low174 Ų17488 Ų8881%0.81348%0.484SS*.  trans-97.3119.2153.7-69.2-168.5-178.700107.3G292 V296G292-E294 PolarHBondContact O-N 3.45Å; E294-V296 PolarHBondContact O-N 3.18Å; E294-V296 VanDerWaalsContact O-N 3.12Å
295D37.8Very low49.1Very low121 Ų12193.5 Ų93.565%0.64751%0.509SS*.  trans-53.3112.1-173.4-63.1-54.1000111.7D297 S298D295-D297 PolarHBondContact O-N 3.35Å; D295-S298 PolarHBondContact O-N 2.67Å; D295-S298 PolarHBondContact O-OG 3.44Å
296V44Very low47.3Very low53 Ų5391.9 Ų91.932%0.32151%0.505SS..Hα-helixtrans-56.9-19.9175.4-174.90000111.5E294 S298 E300 K659E294-V296 PolarHBondContact O-N 3.18Å; E294-V296 VanDerWaalsContact O-N 3.12Å; V296-S298 VanDerWaalsContact C-N 3.33Å; V296-S298 PolarHBondContact O-N 2.83Å; V296-E300 WeakPolarHBondContact O-CG 3.08Å; V296-K659 HydrophobicContact CG2-CG 4.38Å
297D42.6Very low45.7Very low117 Ų11789.8 Ų89.863%0.62650%0.5SS*.Hα-helixtrans-72.1-20.2178.1-71.8-16.3000114.1D295 L301D295-D297 PolarHBondContact O-N 3.35Å; D297-L301 WeakPolarHBondContact O-CG 3.44Å
298S39.1Very low44.1Very low69 Ų6995.7 Ų95.748%0.48353%0.527SS..Hα-helixtrans-86.5-26.7-173.763.40000114.2D295 V296D295-S298 PolarHBondContact O-N 2.67Å; D295-S298 PolarHBondContact O-OG 3.44Å; V296-S298 VanDerWaalsContact C-N 3.33Å; V296-S298 PolarHBondContact O-N 2.83Å
299L40Very low42.5Very low88 Ų8895.6 Ų95.646%0.46152%0.522SS..Hα-helixtrans-81.8-35.7171.8-72.5167.4000111.4L301 K302 E303L299-L301 PolarHBondContact O-N 2.93Å; L299-K302 PolarHBondContact O-N 3Å; L299-E303 WeakPolarHBondContact O-CB 3.49Å; L299-E303 WeakPolarHBondContact O-CG 3.47Å; L299-E303 PolarHBondContact O-N 2.79Å
300E43.6Very low41.1Very low73 Ų73101.6 Ų101.634%0.34155%0.553SS.*Hα-helixtrans-60-33.3175.6-72.8-170.1178.600111.7V296 N304 R408V296-E300 WeakPolarHBondContact O-CG 3.08Å; E300-N304 VanDerWaalsContact O-CB 3.22Å; E300-N304 WeakPolarHBondContact O-CB 3.35Å; E300-N304 PolarHBondContact O-N 2.99Å; E300-N304 PolarHBondContact O-ND2 3.03Å; E300-R408 IonicContact OE1-NH1 2.67Å; E300-R408 PolarHBondContact OE1-NH1 2.94Å
301L38.9Very low40.1Very low127 Ų12798.8 Ų98.867%0.66554%0.543SS*.Hα-helixtrans-76.6-32.4177.9-68.4169.3000114D297 L299D297-L301 WeakPolarHBondContact O-CG 3.44Å; L299-L301 PolarHBondContact O-N 2.93Å
302K40.7Very low39.3Very low161 Ų161104.7 Ų104.770%0.757%0.571SS**Hα-helixtrans-86.3-34-179-73.9178.9178.7171.80113.3L299L299-K302 PolarHBondContact O-N 3Å
303E45.6Very low38.5Very low65 Ų65106.5 Ų106.530%0.30457%0.574SS.*Hα-helixtrans-72.9-34.9178.9-69.9176.5174.300111.1L299 E305 S306 V307L299-E303 WeakPolarHBondContact O-CB 3.49Å; L299-E303 WeakPolarHBondContact O-CG 3.47Å; L299-E303 PolarHBondContact O-N 2.79Å; E303-E305 PolarHBondContact O-N 3.38Å; E303-S306 PolarHBondContact O-N 2.78Å; E303-S306 PolarHBondContact O-OG 2.81Å; E303-V307 PolarHBondContact O-N 2.89Å
304N43Very low38Very low41 Ų41105.2 Ų105.222%0.21957%0.571CS.*Hα-helixtrans-65.7-32.6178.6-77.6-33.1000113.6E300 E308 R402E300-N304 VanDerWaalsContact O-CB 3.22Å; E300-N304 WeakPolarHBondContact O-CB 3.35Å; E300-N304 PolarHBondContact O-N 2.99Å; E300-N304 PolarHBondContact O-ND2 3.03Å; N304-E308 WeakPolarHBondContact O-CG 3.35Å; N304-R402 PolarHBondContact ND2-NH1 2.9Å; N304-R402 VanDerWaalsContact ND2-NH1 3.11Å
305E36.1Very low37.5Very low127 Ų127103.7 Ų103.759%0.59357%0.569SS**Hα-helixtrans-73.6-32.5176.2-72.8-172.2156.800112.7E303 Q309E303-E305 PolarHBondContact O-N 3.38Å; E305-Q309 WeakPolarHBondContact O-CB 3.24Å; E305-Q309 VanDerWaalsContact O-CG 3.29Å; E305-Q309 WeakPolarHBondContact O-CG 3.33Å; E305-Q309 PolarHBondContact O-N 3.3Å
306S36.7Very low37.3Very low61 Ų61103.6 Ų103.643%0.42758%0.578SS.*Hα-helixtrans-75.5-29.2-174.869.60000114.1E303 N310E303-S306 PolarHBondContact O-N 2.78Å; E303-S306 PolarHBondContact O-OG 2.81Å; S306-N310 PolarHBondContact O-ND2 2.84Å
307V43.4Very low36.6Very low62 Ų62110 Ų11038%0.37660%0.604SS.*Hα-helixtrans-84.1-31176.5-178.10000111.2E303E303-V307 PolarHBondContact O-N 2.89Å
308E40.6Very low36.1Very low132 Ų132111.7 Ų111.762%0.61761%0.612SS**Hα-helixtrans-76.9-31.9175.8-72-172.5169.200113N304 N310 G311N304-E308 WeakPolarHBondContact O-CG 3.35Å; E308-N310 VanDerWaalsContact C-N 3.34Å; E308-N310 PolarHBondContact O-N 3.27Å; E308-G311 PolarHBondContact O-N 3.01Å
309Q35.8Very low35.8Very low136 Ų136116.8 Ų116.864%0.63663%0.628SS**Hα-helixtrans-72.8-20.5179.2-78.9179.84.100114.7E305E305-Q309 WeakPolarHBondContact O-CB 3.24Å; E305-Q309 VanDerWaalsContact O-CG 3.29Å; E305-Q309 WeakPolarHBondContact O-CG 3.33Å; E305-Q309 PolarHBondContact O-N 3.3Å
310N35.1Very low35.2Very low149 Ų149122.3 Ų122.380%0.79765%0.649SS**THydrogen-bonded Turntrans-90.52.7177.5-77.2-30.1000114S306 E308S306-N310 PolarHBondContact O-ND2 2.84Å; E308-N310 VanDerWaalsContact C-N 3.34Å; E308-N310 PolarHBondContact O-N 3.27Å
311G31.7Very low34.6Very low62 Ų62124 Ų12464%0.63967%0.669SS**SBendtrans-107.6-2.6179.500000115.8E308E308-G311 PolarHBondContact O-N 3.01Å
312L29.7Very low34.4Very low166 Ų166123.8 Ų123.887%0.86968%0.678SS**  trans-154.779.6-173.5-149.576000112.8
313S24.8Very low33.8Very low100 Ų100124.2 Ų124.270%0.69969%0.687SS**  trans-139.586.7168.130.20000110.7
314T29Very low33.2Very low125 Ų125129.1 Ų129.177%0.76772%0.715SS**  trans-153.2117.1155-18.80000109.5
315D30Very low32.5Very low143 Ų143133.9 Ų133.977%0.76574%0.741SS**  trans69.2107.2155.6-54.6-23.1000120
316S33.9Very low32.3Very low118 Ų118136 Ų13683%0.82575%0.748SS**  17095.895.9-71.60000112.5
317Q28.8Very low31.9Very low187 Ų187140.3 Ų140.387%0.87476%0.761SS**  trans-71.1126.7143.2-74.2176.8-9.400107.4
318L31.9Very low31.1Very low154 Ų154142.7 Ų142.781%0.80678%0.776SS**  trans159.8102.5136.7-85.1150.9000112.4
319Q32Very low30.6Very low175 Ų175145.7 Ų145.782%0.81879%0.787SS**  trans42.6108.8131.5-68.3178.24.100120.9
320K28.3Very low30.2Very low204 Ų204144.8 Ų144.889%0.88780%0.796SS**  19.6112.9125.4-69.2178.3175.9177.80117
321S31.1Very low30Very low110 Ų110141.2 Ų141.277%0.76980%0.795SS**  173.3128.1110.843.20000112.8
322S33.8Very low30Very low121 Ų121149 Ų14985%0.84681%0.806SS**  trans55.6113.2138.2-44.90000121
323L28.6Very low30.2Very low171 Ų171149.5 Ų149.590%0.89581%0.809SS**  trans-54.3135159.3-68.4125.5000111.8
324D32.7Very low30.3Very low167 Ų167153 Ų15389%0.89382%0.82SS**  -158.7153.4126.6-118-24.1000114.3
325N29.3Very low30.3Very low141 Ų141150.4 Ų150.475%0.75482%0.818SS**  trans-98.3137-156-153.3-5.6000111
326K30.5Very low30.3Very low171 Ų171147 Ų14774%0.74382%0.816SS**  trans156.9125.6130.7-90.3173.9176.1171.50115.5
327Q29.1Very low30.1Very low152 Ų152151.5 Ų151.571%0.7182%0.822SS**  73110129.5-71.8-178.2-4.300121.5
328T26.1Very low30.3Very low113 Ų113147 Ų14769%0.69382%0.817SS**  95.3129.6117.859.10000121.2
329K30.3Very low30.5Very low194 Ų194144.9 Ų144.984%0.84382%0.815SS**  trans89.797.7145.4-75.3170-179.1-177.10119.5
330S27.3Very low30.9Very low117 Ų117141.5 Ų141.582%0.81881%0.81SS**  48.7102.8115.8172.80000118.1
331G31.8Very low31.7Very low75 Ų75139.7 Ų139.777%0.77381%0.809SS**  trans-159.7109.516000000110.5L333G331-L333 PolarHBondContact O-N 3.13Å
332Y31.8Very low32.1Very low224 Ų224141.2 Ų141.288%0.87881%0.808SS**  trans-53.2123.8172.8-83.5-108.3000111.9
333L32.7Very low32.3Very low177 Ų177146.7 Ų146.793%0.92781%0.81SS**  trans-154.5134.4149.7-70.9-177.2000111.8G331G331-L333 PolarHBondContact O-N 3.13Å
334N26.9Very low32.8Very low173 Ų173142 Ų14293%0.92580%0.804SS**  trans-41.3146.9177.2-77.1-25.8000117.2
335G29.1Very low32.8Very low71 Ų71141 Ų14173%0.73280%0.797SS**  trans160.185.215800000113F337G335-F337 PolarHBondContact O-N 3.18Å
336G30.1Very low33.1Very low71 Ų71145.9 Ų145.973%0.73281%0.805SS**  trans-71.9117.7-178.600000113
337F30.4Very low33.4Very low214 Ų214144.8 Ų144.894%0.93981%0.806SS**  trans-158.551.4166.6-83.8-75.6000111.5G335G335-F337 PolarHBondContact O-N 3.18Å
338A32.8Very low33.7Very low93 Ų93143.2 Ų143.277%0.76981%0.807SS**  trans-140.842.2-175.300000115.8
339S35.8Very low34.1Very low109 Ų109140.8 Ų140.876%0.76281%0.805SS**SBendtrans-121.22.3175.661.10000116.2
340S40.3Very low34.7Very low104 Ų104136 Ų13673%0.72781%0.81SS**SBendtrans-106.1-6.2-173.3-54.10000115.8
341L45Very low35.8Very low165 Ų165135 Ų13586%0.86480%0.803SS**SBendtrans-100.72.6-170.7-93.3159.5000115.9
342L40.4Very low37.3Very low143 Ų143132.6 Ų132.675%0.74978%0.779SS**  trans-103.314.7-175.8-60.5-30.3000114.7
343R37.4Very low39.4Very low236 Ų236129.1 Ų129.189%0.89176%0.764SS**SBendtrans-89.7-4.9-178.2-135.2-179.4-70.8169.4-0.5114.6
344G38.8Very low41.7Very low73 Ų73123.5 Ų123.575%0.75374%0.737SS**SBendtrans-102.95.7-174.900000116.6
345L33.5Very low44.6Very low144 Ų144115.4 Ų115.475%0.75469%0.693SS**  trans-128.571.3-174.5-134.395.8000111.9
346R34.4Very low47.4Very low244 Ų244115 Ų11592%0.92168%0.677SS**  trans-107.366.1158-75-172.6179.7168.6-0.1109T348R346-T348 PolarHBondContact O-N 2.96Å
347I37.3Very low50.2Low148 Ų148118.9 Ų118.976%0.75967%0.669SS**  trans-90.287.5164-57.4172000105.7
348T36.2Very low53Low119 Ų119116.8 Ų116.873%0.7366%0.662SS**  trans-123.294.3169.948.40000108.2R346R346-T348 PolarHBondContact O-N 2.96Å
349G33.1Very low55.7Low63 Ų63114 Ų11465%0.64963%0.634SS**SBendtrans6899.8158.900000117.1S351G349-S351 PolarHBondContact O-N 2.82Å; G349-S351 PolarHBondContact O-OG 3.01Å
350G44.1Very low58.3Low94 Ų94108.8 Ų108.897%0.96960%0.598SS**SBendtrans55.25.6147.200000119.8
351S51Low60.7Low95 Ų95106.1 Ų106.166%0.66458%0.583SS**  trans-109.7130.6-17542.70000109.2G349G349-S351 PolarHBondContact O-N 2.82Å; G349-S351 PolarHBondContact O-OG 3.01Å
352G62.6Low63Low25 Ų25101.3 Ų101.326%0.25856%0.561SS.*PPolyproline II helixtrans-52.8158.1-174.800000115.1V354 L397G352-V354 PolarHBondContact O-N 3.08Å; G352-L397 WeakPolarHBondContact CA-O 3.17Å
353R74.8Confident65.4Low150 Ų15094.9 Ų94.957%0.56653%0.528SS*.PPolyproline II helixtrans-64121.1172.5-178.7179.1177.8165.80.4108.6D359 L397R353-D359 IonicContact CZ-OD1 3.66Å; R353-D359 IonicContact NE-OD1 3.99Å; R353-D359 IonicContact NE-OD2 3.81Å; R353-D359 IonicContact NH2-OD1 2.66Å; R353-D359 PolarHBondContact NH2-OD1 3.2Å; R353-D359 IonicContact NH2-OD2 3.8Å; R353-L397 PolarHBondContact O-N 3.39Å
354V82.7Confident68.1Low60 Ų6084.6 Ų84.636%0.36449%0.491SS..BIsolated β-bridgetrans-75.1126.3172.31790000108.6G352 T356G352-V354 PolarHBondContact O-N 3.08Å; V354-T356 PolarHBondContact O-N 3.28Å
355L86.4Confident70.7Confident2 Ų285 Ų851%0.0147%0.473CS..PPolyproline II helixtrans-71.9124.1-178.7-76.4177.7000111.9D359 I360 L392 G394 T395 L397 I403L355-D359 HydrophobicContact CD2-CB 4.4Å; L355-I360 HydrophobicContact CB-CD1 3.86Å; L355-I360 HydrophobicContact CB-CG1 4.3Å; L355-I360 HydrophobicContact CD1-CD1 4.16Å; L355-I360 HydrophobicContact CD1-CG1 4.33Å; L355-I360 HydrophobicContact CD2-CG1 4.15Å; L355-I360 HydrophobicContact CG-CD1 4.44Å; L355-L392 HydrophobicContact CD1-CB 4.29Å; L355-G394 PolarHBondContact O-N 3.21Å; L355-T395 PolarHBondContact N-O 2.69Å; L355-L397 HydrophobicContact CD1-CD1 4.21Å; L355-L397 HydrophobicContact CD1-CD2 4.16Å; L355-L397 HydrophobicContact CD1-CG 3.97Å; L355-L397 HydrophobicContact CD2-CD1 3.42Å; L355-L397 VanDerWaalsContact CD2-CD1 3.42Å; L355-L397 HydrophobicContact CD2-CG 4.01Å; L355-L397 HydrophobicContact CG-CD1 3.86Å; L355-L397 HydrophobicContact CG-CG 3.85Å; L355-I403 HydrophobicContact CD2-CD1 4.46Å; L355-I403 HydrophobicContact CD2-CG1 4.11Å; L355-I403 HydrophobicContact CD2-CG2 4.38Å
356T88.1Confident73.5Confident62 Ų6281.7 Ų81.738%0.3845%0.454SS..PPolyproline II helixtrans-97164170.170.30000111.1V354 E358 D359 I360V354-T356 PolarHBondContact O-N 3.28Å; T356-E358 PolarHBondContact O-N 2.91Å; T356-D359 WeakPolarHBondContact CB-OD2 3.35Å; T356-D359 PolarHBondContact N-OD2 3.24Å; T356-D359 PolarHBondContact O-N 2.94Å; T356-D359 PolarHBondContact OG1-N 2.92Å; T356-D359 PolarHBondContact OG1-OD2 3.21Å; T356-I360 PolarHBondContact O-N 2.94Å
357R89.2Confident76.3Confident154 Ų15470.2 Ų70.258%0.58141%0.41SS*.Hα-helixtrans-63.5-32.2177-170.1170.3-176.8147.82.5112.2I360 A361 V393R357-I360 PolarHBondContact O-N 3.14Å; R357-A361 WeakPolarHBondContact O-CB 3.3Å; R357-A361 PolarHBondContact O-N 3.47Å; R357-A361 VanDerWaalsContact O-N 3.08Å; R357-V393 HydrophobicContact CB-CG2 4.02Å
358E89.8Confident79Confident169 Ų16966.2 Ų66.279%0.7939%0.386SS*.Hα-helixtrans-67.4-38177.6-66.2170-167.300111.3T356 I360 P362T356-E358 PolarHBondContact O-N 2.91Å; E358-I360 PolarHBondContact O-N 2.98Å; E358-P362 WeakPolarHBondContact O-CD 3.28Å
359D88.2Confident81.8Confident34 Ų3466.4 Ų66.418%0.18238%0.378CS..Hα-helixtrans-66.2-36.5178.1-60.6-42.8000112.7R353 L355 T356 I403R353-D359 IonicContact CZ-OD1 3.66Å; R353-D359 IonicContact NE-OD1 3.99Å; R353-D359 IonicContact NE-OD2 3.81Å; R353-D359 IonicContact NH2-OD1 2.66Å; R353-D359 PolarHBondContact NH2-OD1 3.2Å; R353-D359 IonicContact NH2-OD2 3.8Å; L355-D359 HydrophobicContact CD2-CB 4.4Å; T356-D359 WeakPolarHBondContact CB-OD2 3.35Å; T356-D359 PolarHBondContact N-OD2 3.24Å; T356-D359 PolarHBondContact O-N 2.94Å; T356-D359 PolarHBondContact OG1-N 2.92Å; T356-D359 PolarHBondContact OG1-OD2 3.21Å; D359-I403 HydrophobicContact CB-CD1 4.3Å
360I90.4Very high84.6Confident1 Ų166.1 Ų66.11%0.00536%0.358CS..Hα-helixtrans-89.2-27.1-173.2-60.2160.5000112.2L355 T356 R357 E358 C363 L364 L392 V393 V407L355-I360 HydrophobicContact CB-CD1 3.86Å; L355-I360 HydrophobicContact CB-CG1 4.3Å; L355-I360 HydrophobicContact CD1-CD1 4.16Å; L355-I360 HydrophobicContact CD1-CG1 4.33Å; L355-I360 HydrophobicContact CD2-CG1 4.15Å; L355-I360 HydrophobicContact CG-CD1 4.44Å; T356-I360 PolarHBondContact O-N 2.94Å; R357-I360 PolarHBondContact O-N 3.14Å; E358-I360 PolarHBondContact O-N 2.98Å; I360-C363 PolarHBondContact O-N 3.47Å; I360-C363 VanDerWaalsContact O-N 3.14Å; I360-L364 HydrophobicContact CG2-CD1 3.54Å; I360-L364 HydrophobicContact CG2-CD2 4.46Å; I360-L364 HydrophobicContact CG2-CG 3.6Å; I360-L364 PolarHBondContact O-N 2.88Å; I360-L392 HydrophobicContact CD1-CB 3.62Å; I360-V393 HydrophobicContact CD1-CG2 4.01Å; I360-V407 HydrophobicContact CG2-CG1 4.35Å; I360-V407 HydrophobicContact CG2-CG2 3.77Å
361A92.2Very high87Confident48 Ų4861.8 Ų61.840%0.39731%0.312SS..Hα-helixtrans-48.1-50-176.200000115.2R357 C363 L364 E365R357-A361 WeakPolarHBondContact O-CB 3.3Å; R357-A361 PolarHBondContact O-N 3.47Å; R357-A361 VanDerWaalsContact O-N 3.08Å; A361-C363 VanDerWaalsContact C-N 3.35Å; A361-C363 PolarHBondContact O-N 2.95Å; A361-L364 PolarHBondContact O-N 3.42Å; A361-E365 PolarHBondContact O-N 3.46Å
362P92.4Very high89Confident63 Ų6359.9 Ų59.941%0.40930%0.297SS..Hα-helixtrans-64.7-37.3-179.324.6-34.2000112.9E358 E365 Q366E358-P362 WeakPolarHBondContact O-CD 3.28Å; P362-E365 PolarHBondContact O-N 2.66Å; P362-Q366 WeakPolarHBondContact O-CG 3.39Å; P362-Q366 PolarHBondContact O-N 3.44Å
363C92.1Very high90.4Very high9 Ų961.2 Ų61.26%0.06131%0.31CS..Hα-helixtrans-68-39.6176.7-62.70000111.7I360 A361 E365 L367 Y404 V407I360-C363 PolarHBondContact O-N 3.47Å; I360-C363 VanDerWaalsContact O-N 3.14Å; A361-C363 VanDerWaalsContact C-N 3.35Å; A361-C363 PolarHBondContact O-N 2.95Å; C363-E365 VanDerWaalsContact C-N 3.35Å; C363-L367 WeakPolarHBondContact O-CB 3.44Å; C363-L367 WeakPolarHBondContact O-CG 3.28Å; C363-L367 PolarHBondContact O-N 2.94Å; C363-L367 VanDerWaalsContact O-N 3.08Å; C363-Y404 HydrophobicContact CB-CD2 4.28Å; C363-V407 HydrophobicContact CB-CB 4.45Å; C363-V407 HydrophobicContact CB-CG1 4.42Å; C363-V407 HydrophobicContact CB-CG2 4.28Å
364L92.8Very high91.3Very high19 Ų1955 Ų5510%0.09929%0.287CS..Hα-helixtrans-67.2-36.3177-76.8175.2000112.5I360 A361 L367 R368 C385 V388 A389 V407I360-L364 HydrophobicContact CG2-CD1 3.54Å; I360-L364 HydrophobicContact CG2-CD2 4.46Å; I360-L364 HydrophobicContact CG2-CG 3.6Å; I360-L364 PolarHBondContact O-N 2.88Å; A361-L364 PolarHBondContact O-N 3.42Å; L364-L367 PolarHBondContact O-N 3.1Å; L364-R368 VanDerWaalsContact O-CB 3.23Å; L364-R368 WeakPolarHBondContact O-CB 3.43Å; L364-R368 PolarHBondContact O-N 3.48Å; L364-C385 HydrophobicContact CD2-CB 4.23Å; L364-V388 HydrophobicContact CD2-CB 4.1Å; L364-V388 HydrophobicContact CD2-CG1 3.87Å; L364-A389 HydrophobicContact CD1-CB 3.6Å; L364-V407 HydrophobicContact CD2-CG1 3.7Å; L364-V407 HydrophobicContact CG-CG1 4.18Å
365E94.1Very high91.8Very high81 Ų8154 Ų5438%0.37928%0.28SS..Hα-helixtrans-60.9-48.6176.8-168.371.8177.400111.2A361 P362 C363 L367 R368 E369A361-E365 PolarHBondContact O-N 3.46Å; P362-E365 PolarHBondContact O-N 2.66Å; C363-E365 VanDerWaalsContact C-N 3.35Å; E365-L367 PolarHBondContact O-N 2.92Å; E365-R368 VanDerWaalsContact CD-CZ 3.44Å; E365-R368 WeakPolarHBondContact O-CB 3.31Å; E365-R368 PolarHBondContact O-N 3.36Å; E365-R368 IonicContact OE1-CZ 3.46Å; E365-R368 IonicContact OE1-NH1 2.95Å; E365-R368 PolarHBondContact OE1-NH1 3Å; E365-R368 IonicContact OE1-NH2 3.28Å; E365-R368 PolarHBondContact OE1-NH2 2.93Å; E365-R368 IonicContact OE2-CZ 3.17Å; E365-R368 IonicContact OE2-NH1 2.77Å; E365-R368 PolarHBondContact OE2-NH1 3.23Å; E365-R368 IonicContact OE2-NH2 3.53Å; E365-R368 PolarHBondContact OE2-NH2 3.44Å; E365-E369 WeakPolarHBondContact O-CG 3.49Å; E365-E369 PolarHBondContact O-N 2.63Å
366Q92.7Very high92.2Very high76 Ų7654.1 Ų54.136%0.35528%0.281SS..Hα-helixtrans-61.2-45.4177-68.7175.13.800112P362 R368 E369 R370P362-Q366 WeakPolarHBondContact O-CG 3.39Å; P362-Q366 PolarHBondContact O-N 3.44Å; Q366-R368 VanDerWaalsContact C-N 3.34Å; Q366-R368 PolarHBondContact O-N 2.9Å; Q366-E369 PolarHBondContact O-N 3.08Å; Q366-R370 PolarHBondContact O-N 3.23Å
367L92.8Very high92.4Very high2 Ų251.2 Ų51.21%0.0126%0.263CS..Hα-helixtrans-66.6-36.1177.7-72.2170.9000112C363 L364 E365 R370 L371 Y404 V407 L411C363-L367 WeakPolarHBondContact O-CB 3.44Å; C363-L367 WeakPolarHBondContact O-CG 3.28Å; C363-L367 PolarHBondContact O-N 2.94Å; C363-L367 VanDerWaalsContact O-N 3.08Å; L364-L367 PolarHBondContact O-N 3.1Å; E365-L367 PolarHBondContact O-N 2.92Å; L367-R370 WeakPolarHBondContact O-CB 3.47Å; L367-R370 PolarHBondContact O-N 3.39Å; L367-L371 WeakPolarHBondContact O-CG 3.43Å; L367-L371 PolarHBondContact O-N 3.44Å; L367-Y404 HydrophobicContact CD2-CE2 4.19Å; L367-Y404 HydrophobicContact CG-CE2 4.23Å; L367-V407 HydrophobicContact CD1-CB 4.29Å; L367-V407 HydrophobicContact CD1-CG1 3.56Å; L367-L411 HydrophobicContact CB-CD2 3.93Å; L367-L411 HydrophobicContact CD1-CD2 4.06Å; L367-L411 HydrophobicContact CD2-CD2 4.16Å; L367-L411 HydrophobicContact CG-CD2 4.28Å
368R94Very high92.6Very high64 Ų6449 Ų4924%0.24226%0.261CS..Hα-helixtrans-61.8-47.1174.9-169.6-168.268.9-144.9-0.9110.8L364 E365 Q366 R370 L371 V372 A381 D382L364-R368 VanDerWaalsContact O-CB 3.23Å; L364-R368 WeakPolarHBondContact O-CB 3.43Å; L364-R368 PolarHBondContact O-N 3.48Å; E365-R368 VanDerWaalsContact CD-CZ 3.44Å; E365-R368 WeakPolarHBondContact O-CB 3.31Å; E365-R368 PolarHBondContact O-N 3.36Å; E365-R368 IonicContact OE1-CZ 3.46Å; E365-R368 IonicContact OE1-NH1 2.95Å; E365-R368 PolarHBondContact OE1-NH1 3Å; E365-R368 IonicContact OE1-NH2 3.28Å; E365-R368 PolarHBondContact OE1-NH2 2.93Å; E365-R368 IonicContact OE2-CZ 3.17Å; E365-R368 IonicContact OE2-NH1 2.77Å; E365-R368 PolarHBondContact OE2-NH1 3.23Å; E365-R368 IonicContact OE2-NH2 3.53Å; E365-R368 PolarHBondContact OE2-NH2 3.44Å; Q366-R368 VanDerWaalsContact C-N 3.34Å; Q366-R368 PolarHBondContact O-N 2.9Å; R368-R370 VanDerWaalsContact C-N 3.29Å; R368-R370 PolarHBondContact O-N 2.95Å; R368-L371 PolarHBondContact O-N 2.76Å; R368-V372 WeakPolarHBondContact O-CG2 3.44Å; R368-V372 PolarHBondContact O-N 3.17Å; R368-A381 HydrophobicContact CG-CB 4.01Å; R368-D382 WeakPolarHBondContact CD-OD1 3.28Å; R368-D382 IonicContact NE-OD1 3.86Å
369E94Very high92.7Very high123 Ų12344.3 Ų44.358%0.57525%0.246SC*.Hα-helixtrans-59.6-40.4175.7-72.3-177.6173.700111.6E365 Q366 V372 G373E365-E369 WeakPolarHBondContact O-CG 3.49Å; E365-E369 PolarHBondContact O-N 2.63Å; Q366-E369 PolarHBondContact O-N 3.08Å; E369-V372 PolarHBondContact O-N 3.26Å; E369-G373 PolarHBondContact O-N 3.41Å
370R93.2Very high92.9Very high57 Ų5743 Ų4322%0.21524%0.239CC..Hα-helixtrans-60.8-47.7174.7-159.7-178.1-148128.65.3111.9Q366 L367 R368 V372 G373 K374 Y404 M658 K659Q366-R370 PolarHBondContact O-N 3.23Å; L367-R370 WeakPolarHBondContact O-CB 3.47Å; L367-R370 PolarHBondContact O-N 3.39Å; R368-R370 VanDerWaalsContact C-N 3.29Å; R368-R370 PolarHBondContact O-N 2.95Å; R370-V372 PolarHBondContact O-N 3.24Å; R370-G373 PolarHBondContact O-N 3.13Å; R370-K374 VanDerWaalsContact O-CG 3.28Å; R370-K374 WeakPolarHBondContact O-CG 3.4Å; R370-K374 PolarHBondContact O-N 3.29Å; R370-Y404 PolarHBondContact NH1-OH 3.46Å; R370-M658 PolarHBondContact NE-O 3.38Å; R370-K659 PolarHBondContact NE-O 3.49Å; R370-K659 PolarHBondContact NH2-O 3.17Å
371L93.6Very high93Very high3 Ų342.9 Ų42.92%0.01624%0.239CC..Hα-helixtrans-59.4-46177.5-69.7175.7000111.7L367 R368 G373 K374 N375 V376 A381 V384 L411L367-L371 WeakPolarHBondContact O-CG 3.43Å; L367-L371 PolarHBondContact O-N 3.44Å; R368-L371 PolarHBondContact O-N 2.76Å; L371-G373 VanDerWaalsContact C-N 3.35Å; L371-K374 CarbonylContact O-C 3.51Å; L371-K374 PolarHBondContact O-N 2.83Å; L371-K374 VanDerWaalsContact O-N 3.16Å; L371-N375 PolarHBondContact O-N 2.95Å; L371-V376 HydrophobicContact CB-CB 4.09Å; L371-V376 HydrophobicContact CB-CG2 4.03Å; L371-V376 HydrophobicContact CD2-CG2 4.25Å; L371-V376 VanDerWaalsContact O-CB 3.25Å; L371-V376 WeakPolarHBondContact O-CB 3.32Å; L371-V376 VanDerWaalsContact O-CG2 3.29Å; L371-V376 WeakPolarHBondContact O-CG2 3.34Å; L371-V376 PolarHBondContact O-N 2.82Å; L371-A381 HydrophobicContact CB-CB 4.21Å; L371-A381 HydrophobicContact CD1-CB 4.42Å; L371-V384 HydrophobicContact CD1-CG1 4.46Å; L371-L411 HydrophobicContact CD1-CD1 4.11Å; L371-L411 HydrophobicContact CD1-CD2 4.21Å; L371-L411 HydrophobicContact CD2-CD2 4.5Å; L371-L411 HydrophobicContact CG-CD2 4.45Å
372V93.4Very high93.1Very high55 Ų5544 Ų4433%0.33324%0.238SC..Hα-helixtrans-64.1-41.4177.2174.50000110.9R368 E369 R370 K374 N375 A381R368-V372 WeakPolarHBondContact O-CG2 3.44Å; R368-V372 PolarHBondContact O-N 3.17Å; E369-V372 PolarHBondContact O-N 3.26Å; R370-V372 PolarHBondContact O-N 3.24Å; V372-K374 PolarHBondContact O-N 3.45Å; V372-N375 PolarHBondContact O-N 3.25Å; V372-A381 HydrophobicContact CG2-CB 3.87Å
373G92.6Very high93Very high53 Ų5344.9 Ų44.955%0.54623%0.233SC..Hα-helixtrans-59.2-30.9174.100000113.3E369 R370 L371 N375E369-G373 PolarHBondContact O-N 3.41Å; R370-G373 PolarHBondContact O-N 3.13Å; L371-G373 VanDerWaalsContact C-N 3.35Å; G373-N375 VanDerWaalsContact C-N 3.27Å; G373-N375 PolarHBondContact O-N 3.43Å
374K93.3Very high93Very high20 Ų2044.5 Ų44.59%0.08723%0.231CC..THydrogen-bonded Turntrans-8818.9174.4-61.6-78179.1157.50113.8R370 L371 V372 D617 K618 G620 A656 L657 K659R370-K374 VanDerWaalsContact O-CG 3.28Å; R370-K374 WeakPolarHBondContact O-CG 3.4Å; R370-K374 PolarHBondContact O-N 3.29Å; L371-K374 CarbonylContact O-C 3.51Å; L371-K374 PolarHBondContact O-N 2.83Å; L371-K374 VanDerWaalsContact O-N 3.16Å; V372-K374 PolarHBondContact O-N 3.45Å; K374-D617 WeakPolarHBondContact CD-O 3.25Å; K374-D617 IonicContact NZ-OD2 3.02Å; K374-D617 PolarHBondContact NZ-OD2 3.28Å; K374-K618 CarbonylContact O-C 3.35Å; K374-K618 WeakPolarHBondContact O-CA 3.2Å; K374-G620 VanDerWaalsContact O-CA 3.27Å; K374-G620 WeakPolarHBondContact O-CA 3.39Å; K374-G620 PolarHBondContact O-N 3.48Å; K374-A656 PolarHBondContact NZ-O 3.46Å; K374-A656 VanDerWaalsContact NZ-O 3.15Å; K374-L657 HydrophobicContact CB-CD2 3.74Å; K374-L657 HydrophobicContact CG-CD2 4.46Å; K374-K659 WeakPolarHBondContact CE-OXT 3.49Å; K374-K659 PolarHBondContact NZ-OXT 2.9Å
375N93.3Very high93Very high39 Ų3944.1 Ų44.121%0.20923%0.229CC..THydrogen-bonded Turntrans68.827.3176.3-161.543.5000115L371 V372 G373 A575 G578 K618 G620 A621L371-N375 PolarHBondContact O-N 2.95Å; V372-N375 PolarHBondContact O-N 3.25Å; G373-N375 VanDerWaalsContact C-N 3.27Å; G373-N375 PolarHBondContact O-N 3.43Å; N375-A575 PolarHBondContact ND2-O 3.42Å; N375-G578 WeakPolarHBondContact OD1-CA 3.3Å; N375-K618 HydrophobicContact CB-CB 3.97Å; N375-G620 CarbonylContact O-C 3.47Å; N375-G620 VanDerWaalsContact O-C 3.23Å; N375-A621 PolarHBondContact O-N 3.36Å
376V93.6Very high92.8Very high5 Ų542.3 Ų42.33%0.0323%0.226CC..  trans-77.2135.2165.1-178.10000108.8L371 M378 I380 A381 G620 I623 L657L371-V376 HydrophobicContact CB-CB 4.09Å; L371-V376 HydrophobicContact CB-CG2 4.03Å; L371-V376 HydrophobicContact CD2-CG2 4.25Å; L371-V376 VanDerWaalsContact O-CB 3.25Å; L371-V376 WeakPolarHBondContact O-CB 3.32Å; L371-V376 VanDerWaalsContact O-CG2 3.29Å; L371-V376 WeakPolarHBondContact O-CG2 3.34Å; L371-V376 PolarHBondContact O-N 2.82Å; V376-M378 PolarHBondContact O-N 3.17Å; V376-I380 HydrophobicContact CG1-CB 4.18Å; V376-I380 HydrophobicContact CG1-CG2 4.11Å; V376-A381 HydrophobicContact CG1-CB 4.15Å; V376-G620 VanDerWaalsContact CG2-CA 3.43Å; V376-I623 HydrophobicContact CG1-CG2 4.5Å; V376-L657 HydrophobicContact CG2-CD2 4.05Å
377A93.4Very high92.6Very high0 Ų039.7 Ų39.70%021%0.214CC..  trans-59.6137.9176.900000111.1S379 I380 A381 N579 V582 S624A377-S379 VanDerWaalsContact C-N 3.35Å; A377-S379 PolarHBondContact O-N 3.28Å; A377-I380 HydrophobicContact CB-CB 4.29Å; A377-I380 HydrophobicContact CB-CG1 3.95Å; A377-I380 CarbonylContact O-C 3.56Å; A377-I380 WeakPolarHBondContact O-CA 3.31Å; A377-I380 WeakPolarHBondContact O-CB 3.41Å; A377-I380 PolarHBondContact O-N 2.76Å; A377-A381 PolarHBondContact O-N 3Å; A377-N579 WeakPolarHBondContact CA-OD1 3.35Å; A377-N579 WeakPolarHBondContact CB-OD1 3.45Å; A377-V582 HydrophobicContact CB-CG2 3.64Å; A377-S624 PolarHBondContact N-OG 2.74Å
378M93Very high92.5Very high108 Ų10839.6 Ų39.653%0.53221%0.214SC..Hα-helixtrans-56.8-46.4-171.9-177.4179.5-73.200112.4V376 I380 A381 D382 N579V376-M378 PolarHBondContact O-N 3.17Å; M378-I380 PolarHBondContact O-N 3.1Å; M378-A381 PolarHBondContact O-N 3.35Å; M378-D382 PolarHBondContact O-N 3.46Å; M378-N579 PolarHBondContact N-OD1 2.8Å
379S91.6Very high92.3Very high70 Ų7036.7 Ų36.749%0.4920%0.204SC..Hα-helixtrans-62.8-31177.655.90000113.2A377 R383A377-S379 VanDerWaalsContact C-N 3.35Å; A377-S379 PolarHBondContact O-N 3.28Å; S379-R383 WeakPolarHBondContact O-CB 3.27Å; S379-R383 PolarHBondContact O-N 3.34Å; S379-R383 VanDerWaalsContact O-N 3.14Å
380I92.5Very high92Very high6 Ų633.1 Ų33.13%0.03119%0.189CC..Hα-helixtrans-76.9-42.1176.2-57.5-60.4000110.1V376 A377 M378 D382 R383 V384 V582 I623 C627V376-I380 HydrophobicContact CG1-CB 4.18Å; V376-I380 HydrophobicContact CG1-CG2 4.11Å; A377-I380 HydrophobicContact CB-CB 4.29Å; A377-I380 HydrophobicContact CB-CG1 3.95Å; A377-I380 CarbonylContact O-C 3.56Å; A377-I380 WeakPolarHBondContact O-CA 3.31Å; A377-I380 WeakPolarHBondContact O-CB 3.41Å; A377-I380 PolarHBondContact O-N 2.76Å; M378-I380 PolarHBondContact O-N 3.1Å; I380-D382 VanDerWaalsContact C-N 3.33Å; I380-D382 PolarHBondContact O-N 2.77Å; I380-R383 PolarHBondContact O-N 2.95Å; I380-V384 HydrophobicContact CG2-CG2 4.18Å; I380-V384 WeakPolarHBondContact O-CB 3.49Å; I380-V384 VanDerWaalsContact O-CG2 3.24Å; I380-V384 WeakPolarHBondContact O-CG2 3.49Å; I380-V384 PolarHBondContact O-N 2.88Å; I380-V582 HydrophobicContact CD1-CG2 4.36Å; I380-V582 HydrophobicContact CG1-CG2 3.89Å; I380-I623 HydrophobicContact CG2-CG2 4.11Å; I380-C627 HydrophobicContact CD1-CB 4.29Å; I380-C627 HydrophobicContact CG2-CB 3.9Å
381A93.3Very high91.6Very high0 Ų032.7 Ų32.70%019%0.187CC..Hα-helixtrans-58.5-45.4174.200000111.1R368 L371 V372 V376 A377 M378 R383 V384 C385R368-A381 HydrophobicContact CG-CB 4.01Å; L371-A381 HydrophobicContact CB-CB 4.21Å; L371-A381 HydrophobicContact CD1-CB 4.42Å; V372-A381 HydrophobicContact CG2-CB 3.87Å; V376-A381 HydrophobicContact CG1-CB 4.15Å; A377-A381 PolarHBondContact O-N 3Å; M378-A381 PolarHBondContact O-N 3.35Å; A381-R383 PolarHBondContact O-N 2.94Å; A381-V384 PolarHBondContact O-N 3.18Å; A381-C385 WeakPolarHBondContact O-CB 3.4Å; A381-C385 PolarHBondContact O-N 3.01Å; A381-C385 PolarHBondContact O-SG 3.45Å
382D93.1Very high91.3Very high72 Ų7232.7 Ų32.739%0.38519%0.187SC..Hα-helixtrans-59.1-46.4174.8-74.9-35.5000112.3R368 M378 I380 C385 S386R368-D382 WeakPolarHBondContact CD-OD1 3.28Å; R368-D382 IonicContact NE-OD1 3.86Å; M378-D382 PolarHBondContact O-N 3.46Å; I380-D382 VanDerWaalsContact C-N 3.33Å; I380-D382 PolarHBondContact O-N 2.77Å; D382-C385 PolarHBondContact O-N 3.38Å; D382-S386 WeakPolarHBondContact O-CB 3.13Å; D382-S386 PolarHBondContact O-N 3.16Å
383R90.7Very high91Very high80 Ų8032.4 Ų32.430%0.30219%0.185SC..Hα-helixtrans-62.6-45.9178.7-172.7179-179-160.2-0.9111.5N41 S379 I380 A381 S386 N387N41-R383 PolarHBondContact OD1-NH2 3.29Å; S379-R383 WeakPolarHBondContact O-CB 3.27Å; S379-R383 PolarHBondContact O-N 3.34Å; S379-R383 VanDerWaalsContact O-N 3.14Å; I380-R383 PolarHBondContact O-N 2.95Å; A381-R383 PolarHBondContact O-N 2.94Å; R383-S386 PolarHBondContact O-N 3.29Å; R383-N387 VanDerWaalsContact O-CG 3.27Å; R383-N387 PolarHBondContact O-N 2.72Å; R383-N387 PolarHBondContact O-OD1 2.88Å
384V91.6Very high90.6Very high2 Ų230.8 Ų30.81%0.01217%0.168CC..Hα-helixtrans-63.1-46.9178.6171.40000110.6L371 I380 A381 S386 N387 V388 L411 V414 I418L371-V384 HydrophobicContact CD1-CG1 4.46Å; I380-V384 HydrophobicContact CG2-CG2 4.18Å; I380-V384 WeakPolarHBondContact O-CB 3.49Å; I380-V384 VanDerWaalsContact O-CG2 3.24Å; I380-V384 WeakPolarHBondContact O-CG2 3.49Å; I380-V384 PolarHBondContact O-N 2.88Å; A381-V384 PolarHBondContact O-N 3.18Å; V384-S386 VanDerWaalsContact C-N 3.35Å; V384-S386 PolarHBondContact O-N 2.59Å; V384-N387 PolarHBondContact O-N 2.8Å; V384-V388 WeakPolarHBondContact O-CG2 3.35Å; V384-V388 PolarHBondContact O-N 2.96Å; V384-L411 HydrophobicContact CG1-CD1 3.31Å; V384-V414 HydrophobicContact CG1-CG1 3.96Å; V384-I418 HydrophobicContact CG2-CD1 3.65Å
385C93Very high90.2Very high10 Ų1030.5 Ų30.57%0.06817%0.168CC..Hα-helixtrans-63.5-38.5177-720000112.4L364 A381 D382 V388 A389L364-C385 HydrophobicContact CD2-CB 4.23Å; A381-C385 WeakPolarHBondContact O-CB 3.4Å; A381-C385 PolarHBondContact O-N 3.01Å; A381-C385 PolarHBondContact O-SG 3.45Å; D382-C385 PolarHBondContact O-N 3.38Å; C385-V388 PolarHBondContact O-N 2.67Å; C385-A389 PolarHBondContact O-N 3.33Å
386S90.6Very high89.6Confident44 Ų4431.8 Ų31.831%0.30818%0.18SC..Hα-helixtrans-63.1-43.7173.7-168.30000111.5D382 R383 V384 V388 A389 D390D382-S386 WeakPolarHBondContact O-CB 3.13Å; D382-S386 PolarHBondContact O-N 3.16Å; R383-S386 PolarHBondContact O-N 3.29Å; V384-S386 VanDerWaalsContact C-N 3.35Å; V384-S386 PolarHBondContact O-N 2.59Å; S386-V388 VanDerWaalsContact C-N 3.31Å; S386-V388 PolarHBondContact O-N 3.01Å; S386-A389 WeakPolarHBondContact O-CB 3.38Å; S386-A389 PolarHBondContact O-N 3.35Å; S386-A389 VanDerWaalsContact O-N 3.17Å; S386-D390 PolarHBondContact O-N 2.83Å
387N87.4Confident89.1Confident20 Ų2031.9 Ų31.911%0.10718%0.181CC..Hα-helixtrans-62.8-38.4177.4-72.94.4000111.9R383 V384 R391R383-N387 VanDerWaalsContact O-CG 3.27Å; R383-N387 PolarHBondContact O-N 2.72Å; R383-N387 PolarHBondContact O-OD1 2.88Å; V384-N387 PolarHBondContact O-N 2.8Å; N387-R391 VanDerWaalsContact O-CG 3.3Å; N387-R391 WeakPolarHBondContact O-CG 3.44Å; N387-R391 PolarHBondContact O-N 2.94Å
388V91.7Very high88.5Confident0 Ų033.8 Ų33.80%020%0.2CC..Hα-helixtrans-65.3-43.8173.3174.60000110.8L364 V384 C385 S386 D390 R391 L392 V407 L411 V414L364-V388 HydrophobicContact CD2-CB 4.1Å; L364-V388 HydrophobicContact CD2-CG1 3.87Å; V384-V388 WeakPolarHBondContact O-CG2 3.35Å; V384-V388 PolarHBondContact O-N 2.96Å; C385-V388 PolarHBondContact O-N 2.67Å; S386-V388 VanDerWaalsContact C-N 3.31Å; S386-V388 PolarHBondContact O-N 3.01Å; V388-D390 PolarHBondContact O-N 3.15Å; V388-R391 PolarHBondContact O-N 2.72Å; V388-L392 HydrophobicContact CG1-CD1 3.6Å; V388-L392 HydrophobicContact CG1-CG 4.27Å; V388-L392 WeakPolarHBondContact O-CB 3.48Å; V388-L392 WeakPolarHBondContact O-CG 3.35Å; V388-L392 PolarHBondContact O-N 2.78Å; V388-V407 HydrophobicContact CG1-CG1 4.14Å; V388-L411 HydrophobicContact CG2-CB 4.11Å; V388-L411 HydrophobicContact CG2-CD1 3.79Å; V388-V414 HydrophobicContact CG2-CB 4.2Å; V388-V414 HydrophobicContact CG2-CG2 3.82Å
389A90.5Very high87.8Confident4 Ų434.3 Ų34.33%0.03321%0.21CC..Hα-helixtrans-57.8-49.9176.100000111.4L364 C385 S386 R391 L392 V393L364-A389 HydrophobicContact CD1-CB 3.6Å; C385-A389 PolarHBondContact O-N 3.33Å; S386-A389 WeakPolarHBondContact O-CB 3.38Å; S386-A389 PolarHBondContact O-N 3.35Å; S386-A389 VanDerWaalsContact O-N 3.17Å; A389-R391 PolarHBondContact O-N 3.23Å; A389-L392 PolarHBondContact O-N 3.41Å; A389-L392 VanDerWaalsContact O-N 3.17Å; A389-V393 WeakPolarHBondContact O-CB 3.48Å; A389-V393 WeakPolarHBondContact O-CG2 3.22Å; A389-V393 PolarHBondContact O-N 2.82Å
390D86.3Confident87.3Confident48 Ų4840.6 Ų40.626%0.25723%0.228SC..Hα-helixtrans-65.7-22.1-177.8-68.2-26.2000112.7A42 N60 S386 V388A42-D390 HydrophobicContact CB-CB 4.07Å; A42-D390 WeakPolarHBondContact CB-OD2 3.38Å; N60-D390 PolarHBondContact ND2-O 3.24Å; S386-D390 PolarHBondContact O-N 2.83Å; V388-D390 PolarHBondContact O-N 3.15Å
391R85Confident86.9Confident47 Ų4744 Ų4418%0.17724%0.244CC..Hα-helixtrans-81.8-38172.9-76.9175.4176.2-157.1-6.7113.8E40 N60 N387 V388 A389 T395 V414E40-R391 IonicContact OE1-CZ 2.67Å; E40-R391 IonicContact OE1-NH1 3.46Å; E40-R391 IonicContact OE1-NH2 3.1Å; E40-R391 PolarHBondContact OE1-NH2 2.92Å; E40-R391 IonicContact OE2-CZ 3.23Å; E40-R391 IonicContact OE2-NE 2.59Å; E40-R391 IonicContact OE2-NH2 2.66Å; E40-R391 PolarHBondContact OE2-NH2 3.5Å; N60-R391 PolarHBondContact ND2-O 2.89Å; N387-R391 VanDerWaalsContact O-CG 3.3Å; N387-R391 WeakPolarHBondContact O-CG 3.44Å; N387-R391 PolarHBondContact O-N 2.94Å; V388-R391 PolarHBondContact O-N 2.72Å; A389-R391 PolarHBondContact O-N 3.23Å; R391-T395 WeakPolarHBondContact O-CG2 3.48Å; R391-V414 VanDerWaalsContact NH1-CG2 3.32Å
392L87.8Confident86.6Confident3 Ų350.5 Ų50.52%0.01627%0.269CS..Hα-helixtrans-88.6-31.1-172.2-69.2177.5000112.9L355 I360 V388 A389 G394 T395 R406 V407L355-L392 HydrophobicContact CD1-CB 4.29Å; I360-L392 HydrophobicContact CD1-CB 3.62Å; V388-L392 HydrophobicContact CG1-CD1 3.6Å; V388-L392 HydrophobicContact CG1-CG 4.27Å; V388-L392 WeakPolarHBondContact O-CB 3.48Å; V388-L392 WeakPolarHBondContact O-CG 3.35Å; V388-L392 PolarHBondContact O-N 2.78Å; A389-L392 PolarHBondContact O-N 3.41Å; A389-L392 VanDerWaalsContact O-N 3.17Å; L392-G394 PolarHBondContact O-N 3.28Å; L392-T395 WeakPolarHBondContact O-CB 3.22Å; L392-T395 PolarHBondContact O-N 2.77Å; L392-T395 PolarHBondContact O-OG1 2.82Å; L392-R406 HydrophobicContact CD2-CG 4.09Å; L392-V407 HydrophobicContact CD1-CB 4.1Å; L392-V407 HydrophobicContact CD1-CG1 4.23Å; L392-V407 HydrophobicContact CD1-CG2 3.74Å
393V87.8Confident86.5Confident50 Ų5048.9 Ų48.930%0.30326%0.26SS..THydrogen-bonded Turntrans-59125.2177.2170.30000109.5N60 R357 I360 A389N60-V393 WeakPolarHBondContact CB-O 3.48Å; N60-V393 PolarHBondContact ND2-O 3.07Å; R357-V393 HydrophobicContact CB-CG2 4.02Å; I360-V393 HydrophobicContact CD1-CG2 4.01Å; A389-V393 WeakPolarHBondContact O-CB 3.48Å; A389-V393 WeakPolarHBondContact O-CG2 3.22Å; A389-V393 PolarHBondContact O-N 2.82Å
394G82.3Confident86.5Confident18 Ų1846.7 Ų46.719%0.18625%0.252CS..THydrogen-bonded Turntrans89.1-9.6-176.100000114.8E61 L355 L392E61-G394 WeakPolarHBondContact CA-O 3.2Å; E61-G394 WeakPolarHBondContact CB-O 3.31Å; E61-G394 PolarHBondContact N-O 3.49Å; L355-G394 PolarHBondContact O-N 3.21Å; L392-G394 PolarHBondContact O-N 3.28Å
395T84.8Confident86.5Confident14 Ų1449.7 Ų49.79%0.08627%0.271CS..PPolyproline II helixtrans-74.4141.4173.1630000111N60 L355 R391 L392N60-T395 HydrophobicContact CB-CG2 3.76Å; L355-T395 PolarHBondContact N-O 2.69Å; R391-T395 WeakPolarHBondContact O-CG2 3.48Å; L392-T395 WeakPolarHBondContact O-CB 3.22Å; L392-T395 PolarHBondContact O-N 2.77Å; L392-T395 PolarHBondContact O-OG1 2.82Å
396S81.9Confident86.3Confident67 Ų6754 Ų5447%0.46929%0.286SS..BIsolated β-bridgetrans-85.6125.9174.260.30000110.7
397L83.5Confident86.4Confident7 Ų751.9 Ų51.94%0.03727%0.271CS..PPolyproline II helixtrans-80.9144.8171.4-76.2173.2000111.7G352 R353 L355 E401 I403 R406G352-L397 WeakPolarHBondContact CA-O 3.17Å; R353-L397 PolarHBondContact O-N 3.39Å; L355-L397 HydrophobicContact CD1-CD1 4.21Å; L355-L397 HydrophobicContact CD1-CD2 4.16Å; L355-L397 HydrophobicContact CD1-CG 3.97Å; L355-L397 HydrophobicContact CD2-CD1 3.42Å; L355-L397 VanDerWaalsContact CD2-CD1 3.42Å; L355-L397 HydrophobicContact CD2-CG 4.01Å; L355-L397 HydrophobicContact CG-CD1 3.86Å; L355-L397 HydrophobicContact CG-CG 3.85Å; L397-E401 HydrophobicContact CB-CB 4.41Å; L397-E401 HydrophobicContact CD2-CB 4.18Å; L397-E401 VanDerWaalsContact CD2-CD 3.49Å; L397-E401 HydrophobicContact CD2-CG 3.8Å; L397-I403 HydrophobicContact CD1-CG1 3.75Å; L397-R406 HydrophobicContact CD2-CB 3.9Å; L397-R406 HydrophobicContact CD2-CG 3.75Å
398G80.6Confident86.7Confident39 Ų3952.8 Ų52.840%0.40227%0.273SS..PPolyproline II helixtrans-58.7155.2167.700000112.2F400 E401G398-F400 PolarHBondContact O-N 3.06Å; G398-E401 PolarHBondContact N-OE2 3.46Å; G398-E401 WeakPolarHBondContact O-CB 3.45Å; G398-E401 PolarHBondContact O-N 3.11Å
399T78.3Confident86.7Confident120 Ų12055.2 Ų55.274%0.73629%0.293SS*.THydrogen-bonded Turntrans-52.9-32.8-177-45.90000113.8
400F80.9Confident86.7Confident201 Ų20155.4 Ų55.488%0.88230%0.295SS*.THydrogen-bonded Turntrans-1127.1-179.2-57.3-73.8000113G398G398-F400 PolarHBondContact O-N 3.06Å
401E84.2Confident87.1Confident78 Ų7853.2 Ų53.236%0.36428%0.283SS..  trans-81.5126.2-177.4-167.2-179.9-178.900110.4L397 G398 R406L397-E401 HydrophobicContact CB-CB 4.41Å; L397-E401 HydrophobicContact CD2-CB 4.18Å; L397-E401 VanDerWaalsContact CD2-CD 3.49Å; L397-E401 HydrophobicContact CD2-CG 3.8Å; G398-E401 PolarHBondContact N-OE2 3.46Å; G398-E401 WeakPolarHBondContact O-CB 3.45Å; G398-E401 PolarHBondContact O-N 3.11Å; E401-R406 VanDerWaalsContact OE1-CD 3.32Å; E401-R406 WeakPolarHBondContact OE1-CD 3.15Å; E401-R406 IonicContact OE1-NE 3.46Å
402R87.7Confident87.4Confident137 Ų13753.8 Ų53.852%0.51729%0.288SS..  trans-82.3147.3177.5-66.4-176.7-178.5177-0.2110.8N304 P405N304-R402 PolarHBondContact ND2-NH1 2.9Å; N304-R402 VanDerWaalsContact ND2-NH1 3.11Å; R402-P405 HydrophobicContact CB-CG 4.02Å
403I89.3Confident87.6Confident38 Ų3858 Ų5820%0.19531%0.307CS..Hα-helixtrans-64.1-48.9-179.5-59.3169.8000110.8L355 D359 L397 R406 V407L355-I403 HydrophobicContact CD2-CD1 4.46Å; L355-I403 HydrophobicContact CD2-CG1 4.11Å; L355-I403 HydrophobicContact CD2-CG2 4.38Å; D359-I403 HydrophobicContact CB-CD1 4.3Å; L397-I403 HydrophobicContact CD1-CG1 3.75Å; I403-R406 WeakPolarHBondContact O-CB 3.33Å; I403-R406 PolarHBondContact O-N 3.31Å; I403-V407 HydrophobicContact CG2-CG2 3.88Å; I403-V407 VanDerWaalsContact O-CG2 3.28Å; I403-V407 WeakPolarHBondContact O-CG2 3.45Å; I403-V407 PolarHBondContact O-N 3.03Å
404Y91.1Very high87.7Confident34 Ų3455.6 Ų55.613%0.13329%0.292CS..Hα-helixtrans-60.1-50.8-173.4-179.2-92000113.9C363 L367 R370 R406 V407 R408C363-Y404 HydrophobicContact CB-CD2 4.28Å; L367-Y404 HydrophobicContact CD2-CE2 4.19Å; L367-Y404 HydrophobicContact CG-CE2 4.23Å; R370-Y404 PolarHBondContact NH1-OH 3.46Å; Y404-R406 VanDerWaalsContact C-N 3.27Å; Y404-R406 PolarHBondContact O-N 3.31Å; Y404-V407 PolarHBondContact O-N 3.25Å; Y404-R408 WeakPolarHBondContact O-CB 3.37Å; Y404-R408 PolarHBondContact O-N 2.8Å
405P91.6Very high88.1Confident65 Ų6554.8 Ų54.842%0.42228%0.284SS..Hα-helixtrans-58.9-36.5175.1-25.435.5000113.3R402 A409R402-P405 HydrophobicContact CB-CG 4.02Å; P405-A409 VanDerWaalsContact O-CB 3.29Å; P405-A409 WeakPolarHBondContact O-CB 3.23Å; P405-A409 PolarHBondContact O-N 2.86Å
406R90Very high88.4Confident99 Ų9955.6 Ų55.637%0.37429%0.29SS..Hα-helixtrans-65.6-44.2176.3178.857.2170.5-175.74.3111.9L392 L397 E401 I403 Y404 S410L392-R406 HydrophobicContact CD2-CG 4.09Å; L397-R406 HydrophobicContact CD2-CB 3.9Å; L397-R406 HydrophobicContact CD2-CG 3.75Å; E401-R406 VanDerWaalsContact OE1-CD 3.32Å; E401-R406 WeakPolarHBondContact OE1-CD 3.15Å; E401-R406 IonicContact OE1-NE 3.46Å; I403-R406 WeakPolarHBondContact O-CB 3.33Å; I403-R406 PolarHBondContact O-N 3.31Å; Y404-R406 VanDerWaalsContact C-N 3.27Å; Y404-R406 PolarHBondContact O-N 3.31Å; R406-S410 WeakPolarHBondContact O-CB 3.46Å; R406-S410 PolarHBondContact O-N 3.33Å; R406-S410 VanDerWaalsContact O-N 3.07Å
407V92.5Very high88.7Confident0 Ų057.7 Ų57.70%029%0.288CS..Hα-helixtrans-65.4-45.1177.2-179.50000110.6I360 C363 L364 L367 V388 L392 I403 Y404 S410 L411I360-V407 HydrophobicContact CG2-CG1 4.35Å; I360-V407 HydrophobicContact CG2-CG2 3.77Å; C363-V407 HydrophobicContact CB-CB 4.45Å; C363-V407 HydrophobicContact CB-CG1 4.42Å; C363-V407 HydrophobicContact CB-CG2 4.28Å; L364-V407 HydrophobicContact CD2-CG1 3.7Å; L364-V407 HydrophobicContact CG-CG1 4.18Å; L367-V407 HydrophobicContact CD1-CB 4.29Å; L367-V407 HydrophobicContact CD1-CG1 3.56Å; V388-V407 HydrophobicContact CG1-CG1 4.14Å; L392-V407 HydrophobicContact CD1-CB 4.1Å; L392-V407 HydrophobicContact CD1-CG1 4.23Å; L392-V407 HydrophobicContact CD1-CG2 3.74Å; I403-V407 HydrophobicContact CG2-CG2 3.88Å; I403-V407 VanDerWaalsContact O-CG2 3.28Å; I403-V407 WeakPolarHBondContact O-CG2 3.45Å; I403-V407 PolarHBondContact O-N 3.03Å; Y404-V407 PolarHBondContact O-N 3.25Å; V407-S410 PolarHBondContact O-N 3.26Å; V407-L411 WeakPolarHBondContact O-CB 3.44Å; V407-L411 PolarHBondContact O-N 3.12Å
408R92.8Very high89Confident39 Ų3958 Ų5815%0.14729%0.29CS..Hα-helixtrans-58.5-49.5175.9179.5-177.4172.5171.57.3111.9E300 Y404 S410 L411 E412 M658E300-R408 IonicContact OE1-NH1 2.67Å; E300-R408 PolarHBondContact OE1-NH1 2.94Å; Y404-R408 WeakPolarHBondContact O-CB 3.37Å; Y404-R408 PolarHBondContact O-N 2.8Å; R408-S410 VanDerWaalsContact C-N 3.3Å; R408-S410 PolarHBondContact O-N 2.81Å; R408-L411 WeakPolarHBondContact O-CB 3.28Å; R408-L411 PolarHBondContact O-N 2.63Å; R408-L411 VanDerWaalsContact O-N 3.14Å; R408-E412 IonicContact NE-OE1 2.97Å; R408-E412 PolarHBondContact NE-OE1 2.81Å; R408-E412 VanDerWaalsContact NE-OE1 3.15Å; R408-E412 WeakPolarHBondContact O-CG 3.42Å; R408-E412 PolarHBondContact O-N 3.34Å; R408-M658 HydrophobicContact CG-SD 4.46Å
409A92.3Very high89.3Confident51 Ų5156.7 Ų56.742%0.42127%0.273SS..Hα-helixtrans-61.1-39.5178.400000112.2P405 L411 E412 E413P405-A409 VanDerWaalsContact O-CB 3.29Å; P405-A409 WeakPolarHBondContact O-CB 3.23Å; P405-A409 PolarHBondContact O-N 2.86Å; A409-L411 VanDerWaalsContact C-N 3.35Å; A409-E412 PolarHBondContact O-N 3.39Å; A409-E413 PolarHBondContact O-N 3.24Å
410S91.2Very high89.7Confident9 Ų955.8 Ų55.86%0.06327%0.267CS..Hα-helixtrans-67.1-36.9175.6-171.30000112.4R406 V407 R408 E413 V414R406-S410 WeakPolarHBondContact O-CB 3.46Å; R406-S410 PolarHBondContact O-N 3.33Å; R406-S410 VanDerWaalsContact O-N 3.07Å; V407-S410 PolarHBondContact O-N 3.26Å; R408-S410 VanDerWaalsContact C-N 3.3Å; R408-S410 PolarHBondContact O-N 2.81Å; S410-E413 PolarHBondContact O-N 2.92Å; S410-V414 WeakPolarHBondContact O-CG2 3.47Å; S410-V414 PolarHBondContact O-N 2.87Å
411L92.9Very high89.2Confident1 Ų148 Ų481%0.00524%0.238CC..Hα-helixtrans-65.8-44.3174.3-178.566000111.8L367 L371 V384 V388 V407 R408 A409 E413 V414 C415 M658L367-L411 HydrophobicContact CB-CD2 3.93Å; L367-L411 HydrophobicContact CD1-CD2 4.06Å; L367-L411 HydrophobicContact CD2-CD2 4.16Å; L367-L411 HydrophobicContact CG-CD2 4.28Å; L371-L411 HydrophobicContact CD1-CD1 4.11Å; L371-L411 HydrophobicContact CD1-CD2 4.21Å; L371-L411 HydrophobicContact CD2-CD2 4.5Å; L371-L411 HydrophobicContact CG-CD2 4.45Å; V384-L411 HydrophobicContact CG1-CD1 3.31Å; V388-L411 HydrophobicContact CG2-CB 4.11Å; V388-L411 HydrophobicContact CG2-CD1 3.79Å; V407-L411 WeakPolarHBondContact O-CB 3.44Å; V407-L411 PolarHBondContact O-N 3.12Å; R408-L411 WeakPolarHBondContact O-CB 3.28Å; R408-L411 PolarHBondContact O-N 2.63Å; R408-L411 VanDerWaalsContact O-N 3.14Å; A409-L411 VanDerWaalsContact C-N 3.35Å; L411-E413 VanDerWaalsContact C-N 3.27Å; L411-E413 PolarHBondContact O-N 2.92Å; L411-V414 PolarHBondContact O-N 3.36Å; L411-C415 WeakPolarHBondContact O-CB 3.49Å; L411-C415 PolarHBondContact O-N 2.73Å; L411-C415 PolarHBondContact O-SG 3.18Å; L411-C415 VanDerWaalsContact O-SG 3.32Å; L411-M658 HydrophobicContact CB-CE 4.1Å; L411-M658 HydrophobicContact CD2-CE 3.6Å; L411-M658 HydrophobicContact CD2-SD 3.96Å; L411-M658 HydrophobicContact CG-CE 3.5Å; L411-M658 VanDerWaalsContact CG-CE 3.5Å; L411-M658 HydrophobicContact CG-SD 4.46Å
412E92.9Very high88.5Confident60 Ų6046.1 Ų46.128%0.2824%0.24SC..Hα-helixtrans-56.7-43.1174.7-76175.8-168.800111.4R408 A409 S416 V654 M658R408-E412 IonicContact NE-OE1 2.97Å; R408-E412 PolarHBondContact NE-OE1 2.81Å; R408-E412 VanDerWaalsContact NE-OE1 3.15Å; R408-E412 WeakPolarHBondContact O-CG 3.42Å; R408-E412 PolarHBondContact O-N 3.34Å; A409-E412 PolarHBondContact O-N 3.39Å; E412-S416 VanDerWaalsContact O-CB 3.29Å; E412-S416 WeakPolarHBondContact O-CB 3.38Å; E412-S416 PolarHBondContact O-N 2.83Å; E412-S416 PolarHBondContact O-OG 2.84Å; E412-V654 HydrophobicContact CB-CG1 3.89Å; E412-V654 HydrophobicContact CG-CG1 3.85Å; E412-M658 HydrophobicContact CB-CE 4.39Å; E412-M658 HydrophobicContact CG-CE 3.65Å; E412-M658 HydrophobicContact CG-CG 3.5Å; E412-M658 VanDerWaalsContact CG-CG 3.5Å; E412-M658 HydrophobicContact CG-SD 4.05Å; E412-M658 WeakPolarHBondContact OE1-CG 3.35Å
413E90.6Very high87.8Confident90 Ų9047.1 Ų47.142%0.42124%0.243SC..Hα-helixtrans-64.3-45176.3-174.8-179.6-163.600112.3A409 S410 L411 S416 R417A409-E413 PolarHBondContact O-N 3.24Å; S410-E413 PolarHBondContact O-N 2.92Å; L411-E413 VanDerWaalsContact C-N 3.27Å; L411-E413 PolarHBondContact O-N 2.92Å; E413-S416 PolarHBondContact O-N 3.35Å; E413-R417 WeakPolarHBondContact O-CB 2.96Å; E413-R417 VanDerWaalsContact O-CG 3.26Å; E413-R417 WeakPolarHBondContact O-CG 3.22Å; E413-R417 PolarHBondContact O-N 2.9Å; E413-R417 IonicContact OE1-CZ 3.99Å; E413-R417 IonicContact OE1-NE 2.67Å; E413-R417 PolarHBondContact OE1-NE 3.46Å; E413-R417 IonicContact OE1-NH2 3.42Å; E413-R417 PolarHBondContact OE1-NH2 3.33Å
414V90.2Very high87.4Confident0 Ų056.5 Ų56.50%028%0.276CS..Hα-helixtrans-62.4-47.4177172.20000110.8V384 V388 R391 S410 L411 S416 R417 I418V384-V414 HydrophobicContact CG1-CG1 3.96Å; V388-V414 HydrophobicContact CG2-CB 4.2Å; V388-V414 HydrophobicContact CG2-CG2 3.82Å; R391-V414 VanDerWaalsContact NH1-CG2 3.32Å; S410-V414 WeakPolarHBondContact O-CG2 3.47Å; S410-V414 PolarHBondContact O-N 2.87Å; L411-V414 PolarHBondContact O-N 3.36Å; V414-S416 VanDerWaalsContact C-N 3.34Å; V414-S416 PolarHBondContact O-N 3.26Å; V414-R417 PolarHBondContact O-N 2.95Å; V414-I418 HydrophobicContact CG1-CD1 3.88Å; V414-I418 WeakPolarHBondContact O-CG1 3.42Å; V414-I418 PolarHBondContact O-N 3.19Å
415C91.2Very high87.1Confident1 Ų156.2 Ų56.21%0.00728%0.278CS..Hα-helixtrans-60.7-43177.2-700000112L411 R417 I418 L419 I623 V654L411-C415 WeakPolarHBondContact O-CB 3.49Å; L411-C415 PolarHBondContact O-N 2.73Å; L411-C415 PolarHBondContact O-SG 3.18Å; L411-C415 VanDerWaalsContact O-SG 3.32Å; C415-R417 PolarHBondContact O-N 2.81Å; C415-I418 PolarHBondContact O-N 2.82Å; C415-L419 WeakPolarHBondContact O-CG 3.42Å; C415-L419 PolarHBondContact O-N 3.06Å; C415-I623 HydrophobicContact CB-CD1 3.8Å; C415-V654 HydrophobicContact CB-CG2 4.06Å
416S91.6Very high87.1Confident32 Ų3256.9 Ų56.922%0.22428%0.278CS..Hα-helixtrans-61.4-44.4176.4-58.90000111.4E412 E413 V414 L419 V420E412-S416 VanDerWaalsContact O-CB 3.29Å; E412-S416 WeakPolarHBondContact O-CB 3.38Å; E412-S416 PolarHBondContact O-N 2.83Å; E412-S416 PolarHBondContact O-OG 2.84Å; E413-S416 PolarHBondContact O-N 3.35Å; V414-S416 VanDerWaalsContact C-N 3.34Å; V414-S416 PolarHBondContact O-N 3.26Å; S416-L419 PolarHBondContact O-N 3.02Å; S416-V420 VanDerWaalsContact O-CG2 3.3Å; S416-V420 WeakPolarHBondContact O-CG2 3.37Å; S416-V420 PolarHBondContact O-N 2.95Å
417R88.4Confident87.2Confident110 Ų11052.4 Ų52.442%0.41526%0.262SS..Hα-helixtrans-62.5-43177-73.7174.8-171.6-156.94.1111.9E40 E413 V414 C415 L419 V420 S421E40-R417 IonicContact OE1-NH1 3.45Å; E413-R417 WeakPolarHBondContact O-CB 2.96Å; E413-R417 VanDerWaalsContact O-CG 3.26Å; E413-R417 WeakPolarHBondContact O-CG 3.22Å; E413-R417 PolarHBondContact O-N 2.9Å; E413-R417 IonicContact OE1-CZ 3.99Å; E413-R417 IonicContact OE1-NE 2.67Å; E413-R417 PolarHBondContact OE1-NE 3.46Å; E413-R417 IonicContact OE1-NH2 3.42Å; E413-R417 PolarHBondContact OE1-NH2 3.33Å; V414-R417 PolarHBondContact O-N 2.95Å; C415-R417 PolarHBondContact O-N 2.81Å; R417-L419 PolarHBondContact O-N 3.37Å; R417-V420 PolarHBondContact O-N 2.7Å; R417-S421 WeakPolarHBondContact O-CA 3.2Å; R417-S421 VanDerWaalsContact O-CB 3.23Å; R417-S421 WeakPolarHBondContact O-CB 3.44Å; R417-S421 PolarHBondContact O-N 3.1Å
418I88.8Confident87.3Confident15 Ų1554 Ų548%0.07727%0.27CS..Hα-helixtrans-60.2-45.2177.2-71.6167.9000111V384 V414 C415 V420 S421 I623 A626 C627V384-I418 HydrophobicContact CG2-CD1 3.65Å; V414-I418 HydrophobicContact CG1-CD1 3.88Å; V414-I418 WeakPolarHBondContact O-CG1 3.42Å; V414-I418 PolarHBondContact O-N 3.19Å; C415-I418 PolarHBondContact O-N 2.82Å; I418-V420 VanDerWaalsContact C-N 3.34Å; I418-V420 PolarHBondContact O-N 3.26Å; I418-S421 WeakPolarHBondContact O-CB 3.44Å; I418-S421 PolarHBondContact O-N 3.38Å; I418-S421 PolarHBondContact O-OG 3.15Å; I418-I623 HydrophobicContact CG2-CG2 4.41Å; I418-A626 HydrophobicContact CG2-CB 4.18Å; I418-C627 HydrophobicContact CG2-CB 3.73Å
419L87.8Confident87.3Confident11 Ų1159.6 Ų59.66%0.05829%0.291CS..Hα-helixtrans-71.8-27-178.6-68.3174.1000113.6C415 S416 R417 A622 I623 A626 L648 V650 V653 V654C415-L419 WeakPolarHBondContact O-CG 3.42Å; C415-L419 PolarHBondContact O-N 3.06Å; S416-L419 PolarHBondContact O-N 3.02Å; R417-L419 PolarHBondContact O-N 3.37Å; L419-A622 HydrophobicContact CD2-CB 4.34Å; L419-I623 HydrophobicContact CD1-CG1 4.18Å; L419-I623 HydrophobicContact CD2-CG1 3.94Å; L419-I623 HydrophobicContact CG-CG1 4.12Å; L419-A626 HydrophobicContact CD2-CB 4.11Å; L419-L648 HydrophobicContact CD2-CD2 4.12Å; L419-V650 HydrophobicContact CB-CG1 3.96Å; L419-V650 HydrophobicContact CB-CG2 4.02Å; L419-V650 HydrophobicContact CD1-CG1 4.22Å; L419-V653 HydrophobicContact CD1-CB 4.11Å; L419-V653 HydrophobicContact CD1-CG1 3.67Å; L419-V654 HydrophobicContact CD1-CG2 4.01Å
420V85.8Confident87.4Confident100 Ų10059.1 Ų59.161%0.60628%0.282SS*.Hα-helixtrans-85.4-18.9173.4177.30000111.9S416 R417 I418 V650S416-V420 VanDerWaalsContact O-CG2 3.3Å; S416-V420 WeakPolarHBondContact O-CG2 3.37Å; S416-V420 PolarHBondContact O-N 2.95Å; R417-V420 PolarHBondContact O-N 2.7Å; I418-V420 VanDerWaalsContact C-N 3.34Å; I418-V420 PolarHBondContact O-N 3.26Å; V420-V650 HydrophobicContact CG2-CB 4.43Å; V420-V650 HydrophobicContact CG2-CG1 4.15Å; V420-V650 HydrophobicContact CG2-CG2 3.84Å
421S71.1Confident87.6Confident38 Ų3858.7 Ų58.727%0.26628%0.279SS..  trans-65.2143.9-176.573.30000111.6R417 I418R417-S421 WeakPolarHBondContact O-CA 3.2Å; R417-S421 VanDerWaalsContact O-CB 3.23Å; R417-S421 WeakPolarHBondContact O-CB 3.44Å; R417-S421 PolarHBondContact O-N 3.1Å; I418-S421 WeakPolarHBondContact O-CB 3.44Å; I418-S421 PolarHBondContact O-N 3.38Å; I418-S421 PolarHBondContact O-OG 3.15Å
422G68.2Low87.6Confident39 Ų3962 Ų6240%0.40230%0.296SS..SBendtrans123.2176179.100000113.8R424 N630G422-R424 PolarHBondContact O-N 3.35Å; G422-N630 VanDerWaalsContact CA-O 3.29Å; G422-N630 WeakPolarHBondContact CA-O 3.39Å
423R73.9Confident87.7Confident157 Ų15762.5 Ų62.559%0.59230%0.3SS*.  trans-65.9132.1172.6-179.9177.3174.7-178.8-4108.3V425 P632R423-V425 PolarHBondContact O-N 3.31Å; R423-P632 VanDerWaalsContact O-CG 3.28Å; R423-P632 WeakPolarHBondContact O-CG 3.35Å
424R80.5Confident87.9Confident235 Ų23558.2 Ų58.289%0.88728%0.281SS*.  trans-65.8117.8167.8-66.1-173.1-178.4-159.5-0.5108.3G422G422-R424 PolarHBondContact O-N 3.35Å
425V86.2Confident88Confident28 Ų2863.2 Ų63.217%0.1730%0.3CS..  trans-103.7111.9175.8176.10000107.4R423 V427 L568 P632 V634R423-V425 PolarHBondContact O-N 3.31Å; V425-V427 HydrophobicContact CG1-CG2 3.98Å; V425-L568 HydrophobicContact CG1-CD1 3.81Å; V425-L568 HydrophobicContact CG1-CD2 4.1Å; V425-L568 HydrophobicContact CG2-CD1 4.38Å; V425-P632 HydrophobicContact CB-CG 4.28Å; V425-P632 HydrophobicContact CG2-CG 3.77Å; V425-V634 HydrophobicContact CB-CG2 4.17Å; V425-V634 HydrophobicContact CG1-CG1 4.29Å; V425-V634 HydrophobicContact CG1-CG2 4.14Å
426D90.8Very high88.1Confident80 Ų8068.6 Ų68.643%0.42833%0.333SS..  trans-114.292.3174-177.1-15.8000108.1L428 R429 D430D426-L428 PolarHBondContact O-N 3.12Å; D426-L428 PolarHBondContact OD1-N 2.91Å; D426-R429 HydrophobicContact CB-CB 3.97Å; D426-R429 VanDerWaalsContact CG-CB 3.41Å; D426-R429 PolarHBondContact O-N 2.8Å; D426-R429 PolarHBondContact OD1-N 3.08Å; D426-R429 WeakPolarHBondContact OD2-CB 3.39Å; D426-D430 WeakPolarHBondContact O-CB 3.38Å; D426-D430 VanDerWaalsContact O-CG 3.3Å; D426-D430 PolarHBondContact O-N 2.83Å
427V92.7Very high88.2Confident4 Ų473.2 Ų73.22%0.02435%0.35CS..Hα-helixtrans-59.9-35.3-174.8179.70000111.6V425 A431 Y441 I443 W463 L464 L568 V634 F635V425-V427 HydrophobicContact CG1-CG2 3.98Å; V427-A431 WeakPolarHBondContact O-CB 3.33Å; V427-A431 PolarHBondContact O-N 2.94Å; V427-Y441 HydrophobicContact CG1-CE1 4.08Å; V427-I443 HydrophobicContact CG1-CD1 3.92Å; V427-W463 HydrophobicContact CB-CH2 4.1Å; V427-W463 HydrophobicContact CB-CZ3 4.14Å; V427-W463 HydrophobicContact CG1-CH2 4.43Å; V427-W463 HydrophobicContact CG1-CZ3 4.02Å; V427-L464 HydrophobicContact CG1-CD2 4.44Å; V427-L568 HydrophobicContact CG2-CD2 3.98Å; V427-V634 HydrophobicContact CG2-CG1 3.97Å; V427-F635 HydrophobicContact CG2-CE2 4.2Å; V427-F635 HydrophobicContact CG2-CZ 4.16Å
428L93.6Very high88.3Confident35 Ų3570.8 Ų70.818%0.18336%0.36CS..Hα-helixtrans-71-48-179.4-62.6-179.3000110.5D426 A431 L432 W463 L464 K467 F469D426-L428 PolarHBondContact O-N 3.12Å; D426-L428 PolarHBondContact OD1-N 2.91Å; L428-A431 PolarHBondContact O-N 3.16Å; L428-L432 VanDerWaalsContact O-CG 3.28Å; L428-L432 WeakPolarHBondContact O-CG 3.38Å; L428-L432 PolarHBondContact O-N 3.19Å; L428-W463 HydrophobicContact CD1-CH2 4.22Å; L428-W463 HydrophobicContact CD1-CZ2 3.7Å; L428-W463 HydrophobicContact CD2-CH2 3.49Å; L428-W463 VanDerWaalsContact CD2-CH2 3.49Å; L428-W463 HydrophobicContact CD2-CZ2 3.62Å; L428-W463 HydrophobicContact CD2-CZ3 4.01Å; L428-W463 HydrophobicContact CG-CH2 3.54Å; L428-W463 HydrophobicContact CG-CZ2 3.56Å; L428-W463 HydrophobicContact CG-CZ3 4.49Å; L428-L464 HydrophobicContact CD2-CD2 4.07Å; L428-K467 HydrophobicContact CD1-CD 4.1Å; L428-K467 HydrophobicContact CD1-CG 4.11Å; L428-K467 HydrophobicContact CD2-CB 3.99Å; L428-K467 HydrophobicContact CD2-CG 3.95Å; L428-F469 HydrophobicContact CD2-CD2 4.4Å; L428-F469 HydrophobicContact CD2-CE2 3.83Å
429R93.4Very high88.6Confident156 Ų15674.2 Ų74.259%0.58937%0.372SS*.Hα-helixtrans-60.9-47177.5-178.9-178.9175.5172.71.2111.7D426 A431 L432 D433D426-R429 HydrophobicContact CB-CB 3.97Å; D426-R429 VanDerWaalsContact CG-CB 3.41Å; D426-R429 PolarHBondContact O-N 2.8Å; D426-R429 PolarHBondContact OD1-N 3.08Å; D426-R429 WeakPolarHBondContact OD2-CB 3.39Å; R429-A431 VanDerWaalsContact C-N 3.29Å; R429-A431 PolarHBondContact O-N 3.47Å; R429-L432 WeakPolarHBondContact O-CB 3.28Å; R429-L432 PolarHBondContact O-N 3.4Å; R429-D433 PolarHBondContact O-N 3.24Å
430D94.5Very high89Confident41 Ų4174 Ų7422%0.21937%0.371CS..Hα-helixtrans-65.3-35.7-179-67.7-20.8000111.3D426 D433 A434 Y441D426-D430 WeakPolarHBondContact O-CB 3.38Å; D426-D430 VanDerWaalsContact O-CG 3.3Å; D426-D430 PolarHBondContact O-N 2.83Å; D430-D433 PolarHBondContact O-N 3.26Å; D430-A434 WeakPolarHBondContact O-CB 3.18Å; D430-A434 PolarHBondContact O-N 2.83Å; D430-Y441 HydrophobicContact CB-CD2 4.34Å; D430-Y441 HydrophobicContact CB-CE2 3.55Å
431A94.5Very high89.6Confident0 Ų069.6 Ų69.60%034%0.344CS..Hα-helixtrans-68.7-38.2172.900000112.9V427 L428 R429 R435 Y441 F469 V538V427-A431 WeakPolarHBondContact O-CB 3.33Å; V427-A431 PolarHBondContact O-N 2.94Å; L428-A431 PolarHBondContact O-N 3.16Å; R429-A431 VanDerWaalsContact C-N 3.29Å; R429-A431 PolarHBondContact O-N 3.47Å; A431-R435 VanDerWaalsContact O-CB 3.32Å; A431-R435 WeakPolarHBondContact O-CB 3.48Å; A431-R435 PolarHBondContact O-N 3.36Å; A431-Y441 HydrophobicContact CB-CD1 4.1Å; A431-Y441 HydrophobicContact CB-CG 4.11Å; A431-F469 HydrophobicContact CB-CD1 4.33Å; A431-F469 HydrophobicContact CB-CE1 3.81Å; A431-F469 HydrophobicContact CB-CZ 4.15Å; A431-V538 HydrophobicContact CB-CG2 4.08Å
432L94Very high90.9Very high69 Ų6968.1 Ų68.136%0.36133%0.334SS..Hα-helixtrans-61.4-47.2172.1-71.2174.8000111L428 R429 A434 R435 T436 F469L428-L432 VanDerWaalsContact O-CG 3.28Å; L428-L432 WeakPolarHBondContact O-CG 3.38Å; L428-L432 PolarHBondContact O-N 3.19Å; R429-L432 WeakPolarHBondContact O-CB 3.28Å; R429-L432 PolarHBondContact O-N 3.4Å; L432-A434 PolarHBondContact O-N 3.23Å; L432-R435 VanDerWaalsContact CD2-CZ 3.5Å; L432-R435 WeakPolarHBondContact O-CB 3.45Å; L432-R435 PolarHBondContact O-N 3.15Å; L432-T436 WeakPolarHBondContact O-CG2 3.26Å; L432-T436 PolarHBondContact O-N 3.24Å; L432-F469 HydrophobicContact CD2-CE1 3.9Å; L432-F469 HydrophobicContact CD2-CZ 3.61Å; L432-F469 HydrophobicContact CG-CE1 4.31Å; L432-F469 HydrophobicContact CG-CZ 3.82Å
433D94.7Very high92.3Very high71 Ų7166.3 Ų66.338%0.3832%0.315SS..Hα-helixtrans-62-44.4179.9-73.2-13000110.6R429 D430 R435 T436 Q437R429-D433 PolarHBondContact O-N 3.24Å; D430-D433 PolarHBondContact O-N 3.26Å; D433-R435 PolarHBondContact O-N 3.1Å; D433-T436 PolarHBondContact O-N 3.32Å; D433-T436 PolarHBondContact O-OG1 3.16Å; D433-Q437 WeakPolarHBondContact O-CG 3.4Å; D433-Q437 PolarHBondContact O-N 3.36Å; D433-Q437 VanDerWaalsContact O-N 3.15Å
434A94.8Very high93.4Very high1 Ų159 Ų591%0.00829%0.287CS..Hα-helixtrans-60.9-43.1174.100000112.5D430 L432 T436 Q437 G438 R439 Y441D430-A434 WeakPolarHBondContact O-CB 3.18Å; D430-A434 PolarHBondContact O-N 2.83Å; L432-A434 PolarHBondContact O-N 3.23Å; A434-T436 VanDerWaalsContact C-N 3.34Å; A434-T436 PolarHBondContact O-N 3.26Å; A434-Q437 CarbonylContact O-C 3.56Å; A434-Q437 WeakPolarHBondContact O-CA 3.39Å; A434-Q437 WeakPolarHBondContact O-CB 3.43Å; A434-Q437 PolarHBondContact O-N 2.97Å; A434-Q437 VanDerWaalsContact O-N 3.07Å; A434-G438 PolarHBondContact O-N 3.49Å; A434-R439 CarbonylContact C-O 3.57Å; A434-R439 VanDerWaalsContact C-O 3.26Å; A434-R439 HydrophobicContact CB-CG 4.31Å; A434-R439 PolarHBondContact O-N 3.19Å; A434-Y441 HydrophobicContact CB-CD2 4.1Å; A434-Y441 HydrophobicContact CB-CG 4.47Å
435R92.4Very high94.3Very high105 Ų10547.8 Ų47.840%0.39625%0.245SC..Hα-helixtrans-59.6-42.3175.3-175178.770.6-177.65111.9A431 L432 D433 Q437 G438 D537A431-R435 VanDerWaalsContact O-CB 3.32Å; A431-R435 WeakPolarHBondContact O-CB 3.48Å; A431-R435 PolarHBondContact O-N 3.36Å; L432-R435 VanDerWaalsContact CD2-CZ 3.5Å; L432-R435 WeakPolarHBondContact O-CB 3.45Å; L432-R435 PolarHBondContact O-N 3.15Å; D433-R435 PolarHBondContact O-N 3.1Å; R435-Q437 PolarHBondContact O-N 3.41Å; R435-G438 PolarHBondContact O-N 3.24Å; R435-D537 WeakPolarHBondContact CD-OD1 3.42Å; R435-D537 WeakPolarHBondContact CG-OD1 3.36Å
436T92.8Very high94.7Very high114 Ų11446.4 Ų46.470%0.69924%0.237SC*.Hα-helixtrans-65-27.8175.864.30000113.2L432 D433 A434 G438L432-T436 WeakPolarHBondContact O-CG2 3.26Å; L432-T436 PolarHBondContact O-N 3.24Å; D433-T436 PolarHBondContact O-N 3.32Å; D433-T436 PolarHBondContact O-OG1 3.16Å; A434-T436 VanDerWaalsContact C-N 3.34Å; A434-T436 PolarHBondContact O-N 3.26Å; T436-G438 PolarHBondContact O-N 2.82Å
437Q93.1Very high94.9Very high128 Ų12842.6 Ų42.660%0.59822%0.216SC*.THydrogen-bonded Turntrans-80.6-1.7174.6-65.8169.811.300113.2D433 A434 R435 R439D433-Q437 WeakPolarHBondContact O-CG 3.4Å; D433-Q437 PolarHBondContact O-N 3.36Å; D433-Q437 VanDerWaalsContact O-N 3.15Å; A434-Q437 CarbonylContact O-C 3.56Å; A434-Q437 WeakPolarHBondContact O-CA 3.39Å; A434-Q437 WeakPolarHBondContact O-CB 3.43Å; A434-Q437 PolarHBondContact O-N 2.97Å; A434-Q437 VanDerWaalsContact O-N 3.07Å; R435-Q437 PolarHBondContact O-N 3.41Å; Q437-R439 VanDerWaalsContact C-N 3.33Å; Q437-R439 HydrophobicContact CB-CG 4.22Å; Q437-R439 PolarHBondContact O-N 3.04Å
438G90.9Very high95Very high60 Ų6042.9 Ų42.962%0.61922%0.218SC*.THydrogen-bonded Turntrans71.324.9179.900000114.1A434 R435 T436A434-G438 PolarHBondContact O-N 3.49Å; R435-G438 PolarHBondContact O-N 3.24Å; T436-G438 PolarHBondContact O-N 2.82Å
439R94.8Very high95Very high87 Ų8745.8 Ų45.833%0.32823%0.234SC..SBendtrans-127.3149.7177.668.2-180-170.983.9-7.8110.9A434 Q437 D567A434-R439 CarbonylContact C-O 3.57Å; A434-R439 VanDerWaalsContact C-O 3.26Å; A434-R439 HydrophobicContact CB-CG 4.31Å; A434-R439 PolarHBondContact O-N 3.19Å; Q437-R439 VanDerWaalsContact C-N 3.33Å; Q437-R439 HydrophobicContact CB-CG 4.22Å; Q437-R439 PolarHBondContact O-N 3.04Å; R439-D567 IonicContact CZ-OD1 3.54Å; R439-D567 IonicContact NH1-OD1 3.46Å; R439-D567 PolarHBondContact NH1-OD1 3.08Å; R439-D567 IonicContact NH1-OD2 2.58Å; R439-D567 PolarHBondContact NH1-OD2 3.03Å; R439-D567 IonicContact NH2-OD1 2.96Å; R439-D567 PolarHBondContact NH2-OD1 3.3Å
440P97.2Very high94.9Very high7 Ų741.2 Ų41.25%0.04524%0.235CC..  trans-68.3145.6172.527.6-33.5000111.3I528 A531 D537 V539P440-I528 HydrophobicContact CG-CG2 4.25Å; P440-A531 HydrophobicContact CB-CB 4.05Å; P440-A531 HydrophobicContact CG-CB 4.09Å; P440-D537 CarbonylContact C-O 3.55Å; P440-D537 WeakPolarHBondContact CA-O 3.36Å; P440-V539 HydrophobicContact CB-CG2 3.85Å; P440-V539 HydrophobicContact CG-CG2 4.37Å
441Y97.9Very high94.9Very high7 Ų739.3 Ų39.33%0.02723%0.225CC..EExtended strand (participates in β ladder)trans-84120.1167.8-173.4-109.1000109.9V427 D430 A431 A434 I443 D537 V538 V539 D567 L568V427-Y441 HydrophobicContact CG1-CE1 4.08Å; D430-Y441 HydrophobicContact CB-CD2 4.34Å; D430-Y441 HydrophobicContact CB-CE2 3.55Å; A431-Y441 HydrophobicContact CB-CD1 4.1Å; A431-Y441 HydrophobicContact CB-CG 4.11Å; A434-Y441 HydrophobicContact CB-CD2 4.1Å; A434-Y441 HydrophobicContact CB-CG 4.47Å; Y441-I443 HydrophobicContact CD1-CD1 3.9Å; Y441-I443 HydrophobicContact CD1-CG1 3.72Å; Y441-I443 HydrophobicContact CE1-CD1 3.62Å; Y441-I443 HydrophobicContact CE1-CG1 3.54Å; Y441-D537 PolarHBondContact N-O 3.22Å; Y441-V538 HydrophobicContact CD1-CG1 4.41Å; Y441-V538 CarbonylContact O-C 3.52Å; Y441-V538 VanDerWaalsContact O-CA 3.28Å; Y441-V538 WeakPolarHBondContact O-CA 3.41Å; Y441-V538 WeakPolarHBondContact O-CG1 3.44Å; Y441-V539 PolarHBondContact O-N 3.42Å; Y441-D567 HydrophobicContact CD2-CB 3.47Å; Y441-D567 VanDerWaalsContact CD2-CB 3.47Å; Y441-D567 HydrophobicContact CE2-CB 3.24Å; Y441-D567 HydrophobicContact CG-CB 4.29Å; Y441-L568 HydrophobicContact CE1-CB 4.43Å; Y441-L568 WeakPolarHBondContact OH-CB 3.38Å
442S97.6Very high95Very high7 Ų740.2 Ų40.25%0.04924%0.235CC..EExtended strand (participates in β ladder)trans-107.1123.1-170.954.50000112.4V539 P566 D567 L568S442-V539 WeakPolarHBondContact CA-O 3.34Å; S442-P566 VanDerWaalsContact OG-CA 3.25Å; S442-P566 WeakPolarHBondContact OG-CA 3.31Å; S442-D567 PolarHBondContact N-OD2 3.35Å; S442-D567 WeakPolarHBondContact O-CA 3.37Å; S442-D567 WeakPolarHBondContact O-CB 3.44Å; S442-D567 PolarHBondContact O-N 3.1Å; S442-D567 PolarHBondContact OG-N 3.16Å; S442-D567 PolarHBondContact OG-OD2 3.05Å; S442-L568 PolarHBondContact O-N 2.84Å; S442-L568 VanDerWaalsContact O-N 3.08Å
443I98.1Very high95.1Very high1 Ų137.7 Ų37.71%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-119.1124.2-179-49.1-178.9000109.4V427 Y441 F445 V538 V539 L540 V541 L568 L570V427-I443 HydrophobicContact CG1-CD1 3.92Å; Y441-I443 HydrophobicContact CD1-CD1 3.9Å; Y441-I443 HydrophobicContact CD1-CG1 3.72Å; Y441-I443 HydrophobicContact CE1-CD1 3.62Å; Y441-I443 HydrophobicContact CE1-CG1 3.54Å; I443-F445 HydrophobicContact CB-CE2 4.21Å; I443-F445 HydrophobicContact CG2-CD2 4.35Å; I443-F445 HydrophobicContact CG2-CE2 3.74Å; I443-F445 HydrophobicContact CG2-CZ 3.93Å; I443-V538 HydrophobicContact CD1-CG1 4.21Å; I443-V538 HydrophobicContact CG1-CG1 4.43Å; I443-V539 PolarHBondContact N-O 2.9Å; I443-L540 HydrophobicContact CB-CD2 3.9Å; I443-L540 HydrophobicContact CD1-CD2 3.76Å; I443-L540 HydrophobicContact CG1-CD2 4.09Å; I443-V541 PolarHBondContact O-N 3.14Å; I443-L568 WeakPolarHBondContact CA-O 3.5Å; I443-L568 HydrophobicContact CD1-CD2 4.42Å; I443-L568 HydrophobicContact CG1-CB 4.35Å; I443-L568 HydrophobicContact CG2-CB 4.35Å; I443-L568 HydrophobicContact CG2-CD2 4.19Å; I443-L568 HydrophobicContact CG2-CG 4.48Å; I443-L570 HydrophobicContact CG2-CD1 3.72Å; I443-L570 HydrophobicContact CG2-CG 4Å
444V97.9Very high95.2Very high2 Ų234.6 Ų34.61%0.01221%0.205CC..EExtended strand (participates in β ladder)trans-104.7127.8176.5173.30000110.2V541 T543 L560 I561 P566 L568 L570V444-V541 HydrophobicContact CG2-CB 3.95Å; V444-V541 HydrophobicContact CG2-CG1 4.37Å; V444-V541 HydrophobicContact CG2-CG2 4.15Å; V444-T543 HydrophobicContact CG1-CG2 3.86Å; V444-L560 HydrophobicContact CG1-CD2 4.11Å; V444-L560 HydrophobicContact CG2-CD2 3.99Å; V444-I561 HydrophobicContact CG1-CD1 4.45Å; V444-I561 HydrophobicContact CG1-CG1 4.24Å; V444-P566 HydrophobicContact CB-CB 4.37Å; V444-P566 HydrophobicContact CB-CG 4.38Å; V444-P566 HydrophobicContact CG2-CB 3.57Å; V444-P566 HydrophobicContact CG2-CG 3.79Å; V444-L568 PolarHBondContact N-O 3.23Å; V444-L570 PolarHBondContact O-N 2.96Å
445F97.9Very high95.3Very high0 Ų036.3 Ų36.30%022%0.215CC..EExtended strand (participates in β ladder)trans-100118175.7-66.2-95000110.2I443 L457 I460 L540 V541 T543 L570 V572I443-F445 HydrophobicContact CB-CE2 4.21Å; I443-F445 HydrophobicContact CG2-CD2 4.35Å; I443-F445 HydrophobicContact CG2-CE2 3.74Å; I443-F445 HydrophobicContact CG2-CZ 3.93Å; F445-L457 HydrophobicContact CD2-CB 4.31Å; F445-L457 HydrophobicContact CD2-CD1 3.54Å; F445-L457 HydrophobicContact CD2-CG 3.92Å; F445-L457 HydrophobicContact CE2-CB 4.28Å; F445-L457 HydrophobicContact CE2-CD1 3.91Å; F445-L457 HydrophobicContact CE2-CG 3.79Å; F445-L457 HydrophobicContact CG-CB 4.44Å; F445-L457 HydrophobicContact CG-CD1 4.15Å; F445-L457 HydrophobicContact CZ-CB 4.39Å; F445-L457 HydrophobicContact CZ-CG 4.3Å; F445-I460 HydrophobicContact CE1-CD1 3.48Å; F445-I460 VanDerWaalsContact CE1-CD1 3.48Å; F445-I460 HydrophobicContact CZ-CD1 3.68Å; F445-I460 HydrophobicContact CZ-CG2 4.45Å; F445-L540 HydrophobicContact CE2-CB 4.1Å; F445-L540 HydrophobicContact CE2-CD2 3.99Å; F445-L540 HydrophobicContact CE2-CG 4.48Å; F445-L540 HydrophobicContact CZ-CD2 4.42Å; F445-V541 PolarHBondContact N-O 3.45Å; F445-T543 WeakPolarHBondContact O-CB 3.29Å; F445-T543 WeakPolarHBondContact O-CG2 3.25Å; F445-T543 PolarHBondContact O-OG1 2.97Å; F445-L570 HydrophobicContact CD1-CB 4.33Å; F445-L570 HydrophobicContact CE1-CB 4.43Å; F445-L570 HydrophobicContact CE1-CD1 3.83Å; F445-L570 HydrophobicContact CZ-CD1 4.12Å; F445-V572 HydrophobicContact CB-CG2 4.36Å; F445-V572 HydrophobicContact CD1-CG2 3.93Å
446C95.7Very high95.5Very high0 Ų031.7 Ų31.70%020%0.198CC..EExtended strand (participates in β ladder)trans-125.9161177.569.40000111.5L557 L570 F571 V572 F588C446-L557 HydrophobicContact CB-CD1 4.03Å; C446-L557 HydrophobicContact CB-CD2 3.73Å; C446-L570 PolarHBondContact N-O 3.1Å; C446-F571 CarbonylContact O-C 3.59Å; C446-F571 WeakPolarHBondContact O-CA 3.38Å; C446-V572 PolarHBondContact O-N 3.12Å; C446-F588 HydrophobicContact CB-CE1 4.34Å
447G95.1Very high95.8Very high0 Ų026.2 Ų26.20%017%0.165CC..  trans151.1174.1-179.900000112.8K453 R546G447-K453 PolarHBondContact O-NZ 2.76Å; G447-R546 PolarHBondContact O-N 3.47Å
448V94.4Very high96Very high10 Ų1020.1 Ų20.16%0.06114%0.136CC..SBendtrans-70.1177.4-176.3-55.50000113V451 K453 R546 Q584 F588V448-V451 HydrophobicContact CG2-CG1 3.34Å; V448-V451 WeakPolarHBondContact O-CG2 3.47Å; V448-K453 PolarHBondContact O-NZ 2.84Å; V448-R546 WeakPolarHBondContact CA-O 3.43Å; V448-Q584 HydrophobicContact CG1-CG 3.85Å; V448-F588 HydrophobicContact CG1-CE2 3.91Å; V448-F588 HydrophobicContact CG1-CZ 4.35Å
449N92.9Very high96.3Very high96 Ų9617.3 Ų17.351%0.51311%0.107SC..THydrogen-bonded Turntrans-68.8141.4-179-68.9-33.4000111.3V451 G545 R546N449-V451 VanDerWaalsContact C-N 3.27Å; N449-V451 PolarHBondContact O-N 3.41Å; N449-G545 WeakPolarHBondContact OD1-CA 3.09Å; N449-G545 PolarHBondContact OD1-O 3.09Å; N449-G545 VanDerWaalsContact OD1-O 3.05Å; N449-R546 PolarHBondContact OD1-N 2.89Å
450G92.5Very high96.5Very high60 Ų6013.2 Ų13.262%0.6199%0.091SC*.THydrogen-bonded Turntrans75-0.3170.100000117.5G452 K611G450-G452 PolarHBondContact O-N 3.1Å; G450-K611 WeakPolarHBondContact O-CE 3.43Å; G450-K611 PolarHBondContact O-NZ 3.49Å
451V94.4Very high96.5Very high0 Ų012.9 Ų12.90%09%0.089CC..SBendtrans-72.1-9.2178.6-60.60000114.6V448 N449 K453 V572 E574 T610V448-V451 HydrophobicContact CG2-CG1 3.34Å; V448-V451 WeakPolarHBondContact O-CG2 3.47Å; N449-V451 VanDerWaalsContact C-N 3.27Å; N449-V451 PolarHBondContact O-N 3.41Å; V451-K453 HydrophobicContact CG2-CG 3.89Å; V451-V572 HydrophobicContact CB-CG1 4.41Å; V451-V572 HydrophobicContact CG2-CB 4.05Å; V451-V572 HydrophobicContact CG2-CG1 3.88Å; V451-V572 VanDerWaalsContact CG2-O 3.3Å; V451-V572 WeakPolarHBondContact CG2-O 3.5Å; V451-E574 HydrophobicContact CG1-CB 4.47Å; V451-E574 HydrophobicContact CG1-CG 4.41Å; V451-T610 WeakPolarHBondContact O-CB 3.41Å; V451-T610 WeakPolarHBondContact O-CG2 3.46Å; V451-T610 PolarHBondContact O-OG1 3.02Å
452G95.1Very high96.4Very high20 Ų2012.5 Ų12.521%0.2069%0.088CC..  trans9332.6177.700000116G450 N456G450-G452 PolarHBondContact O-N 3.1Å; G452-N456 WeakPolarHBondContact O-CB 3.36Å; G452-N456 PolarHBondContact O-N 3.01Å; G452-N456 PolarHBondContact O-ND2 3.25Å
453K96.8Very high96.3Very high15 Ų1512.8 Ų12.87%0.0659%0.088CC..Hα-helixtrans-52.8-64.8175.6-67.9-174.6-62.5-64.20113G447 V448 V451 T455 N456 L457 T543 V572G447-K453 PolarHBondContact O-NZ 2.76Å; V448-K453 PolarHBondContact O-NZ 2.84Å; V451-K453 HydrophobicContact CG2-CG 3.89Å; K453-T455 VanDerWaalsContact C-N 3.29Å; K453-T455 PolarHBondContact O-N 3.4Å; K453-N456 PolarHBondContact O-N 2.87Å; K453-L457 VanDerWaalsContact O-CB 3.31Å; K453-L457 WeakPolarHBondContact O-CB 3.35Å; K453-L457 PolarHBondContact O-N 3.38Å; K453-T543 WeakPolarHBondContact CE-O 3.3Å; K453-V572 HydrophobicContact CG-CB 3.87Å; K453-V572 HydrophobicContact CG-CG1 4.28Å; K453-V572 HydrophobicContact CG-CG2 3.93Å
454S96.6Very high96.2Very high7 Ų712.7 Ų12.75%0.0499%0.088CC..Hα-helixtrans-59.3-38.5-176.8-42.20000112.7A458 R480 D542S454-A458 PolarHBondContact O-N 3.04Å; S454-A458 VanDerWaalsContact O-N 3.12Å; S454-R480 PolarHBondContact OG-NH2 3.03Å; S454-D542 VanDerWaalsContact CB-OD2 3.27Å; S454-D542 WeakPolarHBondContact CB-OD2 3.44Å; S454-D542 PolarHBondContact OG-OD2 3.38Å
455T96.9Very high96.1Very high37 Ų3712.7 Ų12.723%0.2279%0.087CC..Hα-helixtrans-67.5-49.2179.2-51.30000111.6K453 L457 A458 K459K453-T455 VanDerWaalsContact C-N 3.29Å; K453-T455 PolarHBondContact O-N 3.4Å; T455-L457 VanDerWaalsContact C-N 3.34Å; T455-A458 WeakPolarHBondContact O-CB 3.18Å; T455-A458 PolarHBondContact O-N 2.87Å; T455-K459 WeakPolarHBondContact O-CG 3.48Å; T455-K459 PolarHBondContact O-N 2.82Å; T455-K459 VanDerWaalsContact O-N 3.13Å
456N97.8Very high95.8Very high7 Ų713.6 Ų13.64%0.0379%0.091CC..Hα-helixtrans-72.5-28.6-179.9-70.9-81.8000112.2G452 K453 A458 K459 I460 V608 T610G452-N456 WeakPolarHBondContact O-CB 3.36Å; G452-N456 PolarHBondContact O-N 3.01Å; G452-N456 PolarHBondContact O-ND2 3.25Å; K453-N456 PolarHBondContact O-N 2.87Å; N456-A458 VanDerWaalsContact C-N 3.3Å; N456-A458 PolarHBondContact O-N 3.36Å; N456-K459 WeakPolarHBondContact O-CB 3.5Å; N456-K459 PolarHBondContact O-N 3.25Å; N456-K459 PolarHBondContact OD1-NZ 3.47Å; N456-I460 WeakPolarHBondContact O-CG1 3.47Å; N456-I460 PolarHBondContact O-N 2.88Å; N456-V608 HydrophobicContact CB-CG1 4.17Å; N456-T610 WeakPolarHBondContact ND2-CG2 3.49Å
457L98Very high95.7Very high0 Ų015.7 Ų15.70%010%0.101CC..Hα-helixtrans-57.2-45.5167.5-175.1161.4000110.7F445 K453 T455 K459 I460 A461 I473 L540 D542F445-L457 HydrophobicContact CD2-CB 4.31Å; F445-L457 HydrophobicContact CD2-CD1 3.54Å; F445-L457 HydrophobicContact CD2-CG 3.92Å; F445-L457 HydrophobicContact CE2-CB 4.28Å; F445-L457 HydrophobicContact CE2-CD1 3.91Å; F445-L457 HydrophobicContact CE2-CG 3.79Å; F445-L457 HydrophobicContact CG-CB 4.44Å; F445-L457 HydrophobicContact CG-CD1 4.15Å; F445-L457 HydrophobicContact CZ-CB 4.39Å; F445-L457 HydrophobicContact CZ-CG 4.3Å; K453-L457 VanDerWaalsContact O-CB 3.31Å; K453-L457 WeakPolarHBondContact O-CB 3.35Å; K453-L457 PolarHBondContact O-N 3.38Å; T455-L457 VanDerWaalsContact C-N 3.34Å; L457-K459 VanDerWaalsContact C-N 3.34Å; L457-K459 PolarHBondContact O-N 2.92Å; L457-I460 PolarHBondContact O-N 2.76Å; L457-A461 WeakPolarHBondContact O-CB 3.29Å; L457-A461 PolarHBondContact O-N 2.78Å; L457-I473 HydrophobicContact CD2-CD1 3.92Å; L457-I473 HydrophobicContact CD2-CG1 3.95Å; L457-I473 HydrophobicContact CD2-CG2 3.87Å; L457-L540 HydrophobicContact CD1-CB 4.1Å; L457-L540 HydrophobicContact CD2-CB 3.88Å; L457-L540 HydrophobicContact CD2-CD1 3.93Å; L457-L540 HydrophobicContact CG-CB 3.89Å; L457-L540 HydrophobicContact CG-CD1 4.16Å; L457-D542 HydrophobicContact CD1-CB 3.62Å
458A97.6Very high95.6Very high0 Ų020.5 Ų20.50%013%0.126CC..Hα-helixtrans-65-34.4176.500000113S454 T455 N456 A461 F462 H490 Y642S454-A458 PolarHBondContact O-N 3.04Å; S454-A458 VanDerWaalsContact O-N 3.12Å; T455-A458 WeakPolarHBondContact O-CB 3.18Å; T455-A458 PolarHBondContact O-N 2.87Å; N456-A458 VanDerWaalsContact C-N 3.3Å; N456-A458 PolarHBondContact O-N 3.36Å; A458-A461 PolarHBondContact O-N 3.45Å; A458-F462 PolarHBondContact O-N 2.65Å; A458-H490 HydrophobicContact CB-CB 3.85Å; A458-Y642 HydrophobicContact CB-CD1 4.39Å; A458-Y642 HydrophobicContact CB-CE1 3.77Å
459K97.6Very high95.6Very high1 Ų120.3 Ų20.30%0.00413%0.125CC..Hα-helixtrans-65.1-44.8172.7-54.3-174-173.1171.70112T455 N456 L457 A461 F462 W463 G639 T641 D644 L645T455-K459 WeakPolarHBondContact O-CG 3.48Å; T455-K459 PolarHBondContact O-N 2.82Å; T455-K459 VanDerWaalsContact O-N 3.13Å; N456-K459 WeakPolarHBondContact O-CB 3.5Å; N456-K459 PolarHBondContact O-N 3.25Å; N456-K459 PolarHBondContact OD1-NZ 3.47Å; L457-K459 VanDerWaalsContact C-N 3.34Å; L457-K459 PolarHBondContact O-N 2.92Å; K459-A461 VanDerWaalsContact C-N 3.32Å; K459-A461 PolarHBondContact O-N 3.45Å; K459-F462 WeakPolarHBondContact O-CB 3.42Å; K459-F462 PolarHBondContact O-N 2.94Å; K459-W463 PolarHBondContact O-N 3.34Å; K459-G639 WeakPolarHBondContact CE-O 3.18Å; K459-G639 PolarHBondContact NZ-O 3.25Å; K459-T641 WeakPolarHBondContact CD-O 3.41Å; K459-T641 WeakPolarHBondContact CE-O 3.29Å; K459-D644 WeakPolarHBondContact CD-O 3.48Å; K459-D644 PolarHBondContact NZ-O 3.04Å; K459-L645 HydrophobicContact CB-CB 4.18Å; K459-L645 HydrophobicContact CB-CD1 4.24Å; K459-L645 HydrophobicContact CB-CD2 4.28Å; K459-L645 HydrophobicContact CB-CG 4.48Å; K459-L645 HydrophobicContact CD-CB 4.27Å; K459-L645 HydrophobicContact CD-CD1 4.35Å
460I97.4Very high95.8Very high0 Ų017.6 Ų17.60%011%0.107CC..Hα-helixtrans-65.3-38.4177.2-68.9162.8000110.3F445 N456 L457 W463 L464 V608 F635 L645F445-I460 HydrophobicContact CE1-CD1 3.48Å; F445-I460 VanDerWaalsContact CE1-CD1 3.48Å; F445-I460 HydrophobicContact CZ-CD1 3.68Å; F445-I460 HydrophobicContact CZ-CG2 4.45Å; N456-I460 WeakPolarHBondContact O-CG1 3.47Å; N456-I460 PolarHBondContact O-N 2.88Å; L457-I460 PolarHBondContact O-N 2.76Å; I460-W463 HydrophobicContact CG2-CE3 4.36Å; I460-W463 PolarHBondContact O-N 3.34Å; I460-L464 HydrophobicContact CG2-CD1 4Å; I460-L464 HydrophobicContact CG2-CG 4.37Å; I460-L464 WeakPolarHBondContact O-CB 3.39Å; I460-L464 VanDerWaalsContact O-CG 3.29Å; I460-L464 WeakPolarHBondContact O-CG 3.13Å; I460-L464 PolarHBondContact O-N 3.03Å; I460-V608 HydrophobicContact CD1-CG2 4.37Å; I460-F635 HydrophobicContact CD1-CD2 3.65Å; I460-F635 HydrophobicContact CD1-CE2 3.92Å; I460-F635 HydrophobicContact CD1-CG 4.36Å; I460-F635 HydrophobicContact CG1-CD2 4.01Å; I460-F635 HydrophobicContact CG1-CE2 4.07Å; I460-F635 HydrophobicContact CG1-CG 4.43Å; I460-L645 HydrophobicContact CG1-CD1 4.28Å; I460-L645 HydrophobicContact CG1-CD2 3.81Å
461A97.5Very high96.1Very high0 Ų014.8 Ų14.80%08%0.078CC..Hα-helixtrans-58.9-47.7172.300000111.4L457 A458 K459 W463 L464 I465 V471 I473 L494 L540L457-A461 WeakPolarHBondContact O-CB 3.29Å; L457-A461 PolarHBondContact O-N 2.78Å; A458-A461 PolarHBondContact O-N 3.45Å; K459-A461 VanDerWaalsContact C-N 3.32Å; K459-A461 PolarHBondContact O-N 3.45Å; A461-W463 PolarHBondContact O-N 2.87Å; A461-L464 PolarHBondContact O-N 2.86Å; A461-I465 WeakPolarHBondContact O-CD1 3.31Å; A461-I465 WeakPolarHBondContact O-CG1 3.28Å; A461-I465 PolarHBondContact O-N 3.35Å; A461-V471 HydrophobicContact CB-CG1 4.15Å; A461-I473 HydrophobicContact CB-CD1 4.09Å; A461-L494 HydrophobicContact CB-CD1 3.97Å; A461-L540 HydrophobicContact CB-CD1 3.7Å
462F96.5Very high96.2Very high0 Ų014.8 Ų14.80%08%0.078CC..Hα-helixtrans-58.7-47.6176.3-178.6-126.7000112.1L276 M280 A458 K459 L464 I465 E466 L494 I497 H498 Y642L276-F462 HydrophobicContact CB-CZ 4.17Å; L276-F462 WeakPolarHBondContact O-CZ 3.42Å; M280-F462 HydrophobicContact CE-CB 4.29Å; M280-F462 HydrophobicContact CE-CD1 2.97Å; M280-F462 HydrophobicContact CE-CE1 3.34Å; M280-F462 HydrophobicContact CE-CG 3.94Å; A458-F462 PolarHBondContact O-N 2.65Å; K459-F462 WeakPolarHBondContact O-CB 3.42Å; K459-F462 PolarHBondContact O-N 2.94Å; F462-L464 PolarHBondContact O-N 2.83Å; F462-I465 PolarHBondContact O-N 3.35Å; F462-E466 HydrophobicContact CD2-CG 4.38Å; F462-E466 HydrophobicContact CE1-CG 4.45Å; F462-E466 HydrophobicContact CE2-CG 3.89Å; F462-E466 WeakPolarHBondContact CE2-OE1 3.29Å; F462-E466 HydrophobicContact CZ-CG 3.89Å; F462-E466 WeakPolarHBondContact CZ-OE1 3.46Å; F462-E466 PolarHBondContact O-N 3.04Å; F462-L494 HydrophobicContact CB-CD2 3.59Å; F462-L494 HydrophobicContact CD2-CD2 3.83Å; F462-L494 HydrophobicContact CG-CD2 4.01Å; F462-I497 HydrophobicContact CE2-CD1 4.35Å; F462-I497 HydrophobicContact CE2-CG2 3.79Å; F462-H498 AromaticContact CD2-NE2 3.48Å; F462-H498 WeakPolarHBondContact CD2-NE2 3.49Å; F462-H498 AromaticContact CE2-NE2 3.22Å; F462-H498 WeakPolarHBondContact CE2-NE2 3.45Å; F462-Y642 HydrophobicContact CB-CG 4.38Å; F462-Y642 HydrophobicContact CD1-CG 4.33Å; F462-Y642 HydrophobicContact CG-CG 4.38Å
463W96.1Very high96.4Very high12 Ų1213.8 Ų13.85%0.0457%0.068CC..Hα-helixtrans-58.7-44.8176.3171.266.9000113M280 L284 V427 L428 K459 I460 A461 I465 E466 K467 F635 L645M280-W463 HydrophobicContact CE-CB 3.88Å; M280-W463 HydrophobicContact SD-CB 4.03Å; M280-W463 HydrophobicContact SD-CG 4.46Å; L284-W463 HydrophobicContact CD1-CD2 4.35Å; L284-W463 HydrophobicContact CD1-CG 4.47Å; L284-W463 HydrophobicContact CD1-CZ2 4.31Å; L284-W463 HydrophobicContact CD2-CG 4.24Å; V427-W463 HydrophobicContact CB-CH2 4.1Å; V427-W463 HydrophobicContact CB-CZ3 4.14Å; V427-W463 HydrophobicContact CG1-CH2 4.43Å; V427-W463 HydrophobicContact CG1-CZ3 4.02Å; L428-W463 HydrophobicContact CD1-CH2 4.22Å; L428-W463 HydrophobicContact CD1-CZ2 3.7Å; L428-W463 HydrophobicContact CD2-CH2 3.49Å; L428-W463 VanDerWaalsContact CD2-CH2 3.49Å; L428-W463 HydrophobicContact CD2-CZ2 3.62Å; L428-W463 HydrophobicContact CD2-CZ3 4.01Å; L428-W463 HydrophobicContact CG-CH2 3.54Å; L428-W463 HydrophobicContact CG-CZ2 3.56Å; L428-W463 HydrophobicContact CG-CZ3 4.49Å; K459-W463 PolarHBondContact O-N 3.34Å; I460-W463 HydrophobicContact CG2-CE3 4.36Å; I460-W463 PolarHBondContact O-N 3.34Å; A461-W463 PolarHBondContact O-N 2.87Å; W463-I465 VanDerWaalsContact C-N 3.34Å; W463-I465 PolarHBondContact O-N 2.9Å; W463-E466 PolarHBondContact O-N 3.14Å; W463-K467 WeakPolarHBondContact O-CG 3.43Å; W463-K467 PolarHBondContact O-N 2.9Å; W463-F635 HydrophobicContact CD2-CE1 4.5Å; W463-F635 HydrophobicContact CE3-CE1 4.14Å; W463-F635 AromaticContact CE3-CZ 3.94Å; W463-F635 HydrophobicContact CE3-CZ 3.94Å; W463-F635 HydrophobicContact CH2-CE1 4.01Å; W463-F635 AromaticContact CH2-CZ 3.78Å; W463-F635 HydrophobicContact CH2-CZ 3.78Å; W463-F635 HydrophobicContact CZ2-CE1 4.38Å; W463-F635 AromaticContact CZ3-CE1 3.91Å; W463-F635 HydrophobicContact CZ3-CE1 3.91Å; W463-F635 AromaticContact CZ3-CZ 3.43Å; W463-F635 HydrophobicContact CZ3-CZ 3.43Å; W463-F635 VanDerWaalsContact CZ3-CZ 3.43Å; W463-L645 HydrophobicContact CB-CD2 4.15Å
464L96.3Very high96.4Very high0 Ų013.1 Ų13.10%07%0.065CC..Hα-helixtrans-63.2-38.6177-73.8170000112.3V427 L428 I460 A461 F462 K467 N468 F469 V471 V538 L540V427-L464 HydrophobicContact CG1-CD2 4.44Å; L428-L464 HydrophobicContact CD2-CD2 4.07Å; I460-L464 HydrophobicContact CG2-CD1 4Å; I460-L464 HydrophobicContact CG2-CG 4.37Å; I460-L464 WeakPolarHBondContact O-CB 3.39Å; I460-L464 VanDerWaalsContact O-CG 3.29Å; I460-L464 WeakPolarHBondContact O-CG 3.13Å; I460-L464 PolarHBondContact O-N 3.03Å; A461-L464 PolarHBondContact O-N 2.86Å; F462-L464 PolarHBondContact O-N 2.83Å; L464-K467 CarbonylContact O-C 3.6Å; L464-K467 PolarHBondContact O-N 2.62Å; L464-N468 PolarHBondContact O-N 3.29Å; L464-F469 HydrophobicContact CB-CB 4.32Å; L464-F469 HydrophobicContact CD2-CD2 4.26Å; L464-F469 WeakPolarHBondContact O-CB 3.47Å; L464-F469 PolarHBondContact O-N 2.96Å; L464-V471 HydrophobicContact CB-CG2 3.69Å; L464-V471 HydrophobicContact CD1-CG2 4.13Å; L464-V538 HydrophobicContact CD1-CB 4.21Å; L464-V538 HydrophobicContact CD1-CG1 3.79Å; L464-V538 HydrophobicContact CD1-CG2 4.23Å; L464-V538 HydrophobicContact CD2-CG2 4.47Å; L464-L540 HydrophobicContact CD1-CD1 4.43Å; L464-L540 HydrophobicContact CD1-CD2 4.15Å
465I94.8Very high96.4Very high2 Ų212.9 Ų12.91%0.016%0.064CC..Hα-helixtrans-68.4-39.4177.2-61.6158000111A461 F462 W463 K467 N468 V471 L494 H498 M508 V509A461-I465 WeakPolarHBondContact O-CD1 3.31Å; A461-I465 WeakPolarHBondContact O-CG1 3.28Å; A461-I465 PolarHBondContact O-N 3.35Å; F462-I465 PolarHBondContact O-N 3.35Å; W463-I465 VanDerWaalsContact C-N 3.34Å; W463-I465 PolarHBondContact O-N 2.9Å; I465-K467 PolarHBondContact O-N 3.28Å; I465-N468 WeakPolarHBondContact O-CA 3.18Å; I465-N468 PolarHBondContact O-N 2.95Å; I465-V471 HydrophobicContact CG1-CG2 4.03Å; I465-L494 HydrophobicContact CD1-CB 4.48Å; I465-H498 HydrophobicContact CG2-CB 3.81Å; I465-H498 WeakPolarHBondContact CG2-CD2 3.36Å; I465-M508 HydrophobicContact CG1-CB 4.41Å; I465-M508 HydrophobicContact CG2-CB 3.83Å; I465-M508 HydrophobicContact CG2-CE 4.28Å; I465-M508 HydrophobicContact CG2-CG 4.24Å; I465-V509 HydrophobicContact CD1-CB 3.76Å; I465-V509 HydrophobicContact CD1-CG1 4.05Å; I465-V509 HydrophobicContact CD1-CG2 4.35Å
466E92.4Very high96.4Very high18 Ų1811.2 Ų11.28%0.0845%0.053CC..Hα-helixtrans-62.1-30.8172.7-73.8-70.4171.100112.1G278 M280 K281 F462 W463 N468 H498G278-E466 WeakPolarHBondContact CA-OE2 3.34Å; G278-E466 PolarHBondContact N-OE1 3.05Å; G278-E466 PolarHBondContact N-OE2 3.4Å; M280-E466 HydrophobicContact CB-CB 4.27Å; M280-E466 HydrophobicContact CB-CG 4.23Å; K281-E466 WeakPolarHBondContact CG-OE2 3.33Å; F462-E466 HydrophobicContact CD2-CG 4.38Å; F462-E466 HydrophobicContact CE1-CG 4.45Å; F462-E466 HydrophobicContact CE2-CG 3.89Å; F462-E466 WeakPolarHBondContact CE2-OE1 3.29Å; F462-E466 HydrophobicContact CZ-CG 3.89Å; F462-E466 WeakPolarHBondContact CZ-OE1 3.46Å; F462-E466 PolarHBondContact O-N 3.04Å; W463-E466 PolarHBondContact O-N 3.14Å; E466-N468 PolarHBondContact O-N 2.86Å; E466-H498 VanDerWaalsContact CD-CE1 3.43Å; E466-H498 IonicContact OE1-CE1 3.71Å; E466-H498 PolarHBondContact OE1-CE1 3.4Å; E466-H498 IonicContact OE1-NE2 2.75Å; E466-H498 PolarHBondContact OE1-NE2 3.34Å; E466-H498 IonicContact OE2-CE1 3.17Å
467K92.8Very high96.2Very high44 Ų4411 Ų1119%0.1915%0.053CC..THydrogen-bonded Turntrans-84.912.7169.9-61-69-178.71760113.7K281 D282 D283 L428 W463 L464 I465 F469K281-K467 WeakPolarHBondContact O-CE 3.42Å; K281-K467 PolarHBondContact O-NZ 3.29Å; D282-K467 WeakPolarHBondContact O-CE 3.18Å; D282-K467 PolarHBondContact O-NZ 2.96Å; D283-K467 IonicContact OD1-NZ 2.75Å; D283-K467 PolarHBondContact OD1-NZ 3.48Å; L428-K467 HydrophobicContact CD1-CD 4.1Å; L428-K467 HydrophobicContact CD1-CG 4.11Å; L428-K467 HydrophobicContact CD2-CB 3.99Å; L428-K467 HydrophobicContact CD2-CG 3.95Å; W463-K467 WeakPolarHBondContact O-CG 3.43Å; W463-K467 PolarHBondContact O-N 2.9Å; L464-K467 CarbonylContact O-C 3.6Å; L464-K467 PolarHBondContact O-N 2.62Å; I465-K467 PolarHBondContact O-N 3.28Å; K467-F469 HydrophobicContact CB-CD2 3.98Å; K467-F469 HydrophobicContact CB-CE2 4.08Å; K467-F469 WeakPolarHBondContact O-CD2 3.48Å
468N92.8Very high95.7Very high101 Ų10112.1 Ų12.154%0.546%0.059SC..THydrogen-bonded Turntrans64.538.4173.5-155.286.2000114.8L464 I465 E466L464-N468 PolarHBondContact O-N 3.29Å; I465-N468 WeakPolarHBondContact O-CA 3.18Å; I465-N468 PolarHBondContact O-N 2.95Å; E466-N468 PolarHBondContact O-N 2.86Å
469F95.3Very high95.2Very high7 Ų717.6 Ų17.63%0.0318%0.083CC..  trans-102140.4168-67.9-87.1000111.5L428 A431 L432 L464 K467 M508 D537 V538L428-F469 HydrophobicContact CD2-CD2 4.4Å; L428-F469 HydrophobicContact CD2-CE2 3.83Å; A431-F469 HydrophobicContact CB-CD1 4.33Å; A431-F469 HydrophobicContact CB-CE1 3.81Å; A431-F469 HydrophobicContact CB-CZ 4.15Å; L432-F469 HydrophobicContact CD2-CE1 3.9Å; L432-F469 HydrophobicContact CD2-CZ 3.61Å; L432-F469 HydrophobicContact CG-CE1 4.31Å; L432-F469 HydrophobicContact CG-CZ 3.82Å; L464-F469 HydrophobicContact CB-CB 4.32Å; L464-F469 HydrophobicContact CD2-CD2 4.26Å; L464-F469 WeakPolarHBondContact O-CB 3.47Å; L464-F469 PolarHBondContact O-N 2.96Å; K467-F469 HydrophobicContact CB-CD2 3.98Å; K467-F469 HydrophobicContact CB-CE2 4.08Å; K467-F469 WeakPolarHBondContact O-CD2 3.48Å; F469-M508 WeakPolarHBondContact O-CE 3.4Å; F469-D537 WeakPolarHBondContact CA-OD2 3.49Å; F469-D537 HydrophobicContact CB-CB 4.25Å; F469-D537 HydrophobicContact CD1-CB 3.75Å; F469-V538 HydrophobicContact CB-CG2 4.32Å; F469-V538 HydrophobicContact CD1-CG2 4.35Å; F469-V538 HydrophobicContact CG-CG2 4.5Å
470R96.5Very high94.8Very high39 Ų3922.7 Ų22.715%0.14710%0.102CC..  trans-82.1123.7170.4-66.1-17962.9-144.1-5.8109.7T507 M508 R534 H535 F536 D537 V538R470-T507 PolarHBondContact NE-O 2.89Å; R470-T507 VanDerWaalsContact NE-O 3.1Å; R470-M508 CarbonylContact C-O 3.55Å; R470-M508 WeakPolarHBondContact CA-O 3.3Å; R470-M508 HydrophobicContact CG-CE 4.12Å; R470-M508 HydrophobicContact CG-SD 3.79Å; R470-R534 PolarHBondContact NH1-O 2.89Å; R470-R534 PolarHBondContact NH2-O 2.88Å; R470-R534 VanDerWaalsContact NH2-O 3.16Å; R470-H535 PolarHBondContact NH1-O 2.95Å; R470-F536 HydrophobicContact CB-CD1 3.81Å; R470-F536 HydrophobicContact CB-CE1 4.41Å; R470-D537 PolarHBondContact N-OD2 2.94Å; R470-D537 PolarHBondContact O-N 2.58Å; R470-V538 PolarHBondContact O-N 3.23Å
471V98Very high94.3Very high0 Ų026.7 Ų26.70%013%0.131CC..EExtended strand (participates in β ladder)trans-114.9125.4-172-176.10000111.2A461 L464 I465 I473 M508 V509 E510 V538 L540A461-V471 HydrophobicContact CB-CG1 4.15Å; L464-V471 HydrophobicContact CB-CG2 3.69Å; L464-V471 HydrophobicContact CD1-CG2 4.13Å; I465-V471 HydrophobicContact CG1-CG2 4.03Å; V471-I473 HydrophobicContact CG1-CG1 4.33Å; V471-M508 PolarHBondContact N-O 3.41Å; V471-V509 VanDerWaalsContact O-CA 3.27Å; V471-V509 WeakPolarHBondContact O-CA 3.22Å; V471-E510 PolarHBondContact O-N 2.94Å; V471-V538 CarbonylContact C-O 3.15Å; V471-V538 WeakPolarHBondContact CA-O 3.28Å; V471-V538 HydrophobicContact CG2-CB 4.49Å; V471-L540 HydrophobicContact CG1-CD1 3.6Å; V471-L540 HydrophobicContact CG1-CG 3.74Å
472L98.3Very high94Very high0 Ų028.3 Ų28.30%015%0.147CC..EExtended strand (participates in β ladder)trans-100.6124166.8-174.373.5000109.5E510 A527 Y530 A531 F536 V538 V539 L540L472-E510 HydrophobicContact CD1-CB 3.88Å; L472-E510 HydrophobicContact CD1-CG 4.22Å; L472-A527 HydrophobicContact CD2-CB 4.2Å; L472-A527 WeakPolarHBondContact CD2-O 3.27Å; L472-Y530 HydrophobicContact CD1-CD1 3.97Å; L472-Y530 HydrophobicContact CD1-CE1 4.06Å; L472-Y530 HydrophobicContact CD2-CD1 3.86Å; L472-A531 HydrophobicContact CB-CB 4.42Å; L472-A531 HydrophobicContact CD2-CB 3.74Å; L472-F536 HydrophobicContact CB-CB 4.16Å; L472-F536 HydrophobicContact CB-CD1 4.18Å; L472-F536 HydrophobicContact CB-CD2 4.29Å; L472-F536 HydrophobicContact CB-CG 3.96Å; L472-F536 HydrophobicContact CD1-CD2 4.4Å; L472-F536 HydrophobicContact CD1-CE2 4.22Å; L472-F536 HydrophobicContact CD1-CZ 4.46Å; L472-V538 PolarHBondContact N-O 3.17Å; L472-V539 HydrophobicContact CB-CG2 4.32Å; L472-V539 HydrophobicContact CD2-CG2 4.42Å; L472-V539 CarbonylContact O-C 3.51Å; L472-V539 WeakPolarHBondContact O-CA 3.25Å; L472-L540 PolarHBondContact O-N 3.36Å
473I98.4Very high93.8Very high0 Ų028.4 Ų28.40%015%0.148CC..EExtended strand (participates in β ladder)trans-94.7122.2173.8-63.4177.2000108.4L457 A461 V471 L487 V491 V509 E510 L511 Y512 L540L457-I473 HydrophobicContact CD2-CD1 3.92Å; L457-I473 HydrophobicContact CD2-CG1 3.95Å; L457-I473 HydrophobicContact CD2-CG2 3.87Å; A461-I473 HydrophobicContact CB-CD1 4.09Å; V471-I473 HydrophobicContact CG1-CG1 4.33Å; I473-L487 HydrophobicContact CG2-CD1 4.09Å; I473-L487 HydrophobicContact CG2-CD2 4.22Å; I473-V491 HydrophobicContact CD1-CG2 3.89Å; I473-V509 HydrophobicContact CD1-CG2 4.07Å; I473-V509 HydrophobicContact CG1-CG2 4.4Å; I473-E510 PolarHBondContact N-O 3.4Å; I473-L511 HydrophobicContact CB-CD1 4.15Å; I473-L511 HydrophobicContact CG2-CD1 3.84Å; I473-Y512 PolarHBondContact O-N 3.49Å; I473-L540 CarbonylContact C-O 3.48Å; I473-L540 WeakPolarHBondContact CA-O 3.43Å
474A97.8Very high93.7Very high0 Ų027.9 Ų27.90%015%0.146CC..EExtended strand (participates in β ladder)trans-100.6113.4177.100000110.7C476 A527 V539 L540 V541 D542A474-C476 PolarHBondContact O-N 2.66Å; A474-A527 HydrophobicContact CB-CB 3.54Å; A474-V539 HydrophobicContact CB-CG1 4.39Å; A474-L540 PolarHBondContact N-O 3.33Å; A474-V541 HydrophobicContact CB-CG2 4.26Å; A474-D542 PolarHBondContact O-N 2.97Å
475A96.8Very high93.6Very high2 Ų230 Ų302%0.01716%0.156CC..EExtended strand (participates in β ladder)trans-78.985.1179.500000111.2V484 L487 L511 Y512 E513A475-V484 HydrophobicContact CB-CG2 4.35Å; A475-L487 HydrophobicContact CB-CD1 3.76Å; A475-L511 HydrophobicContact CB-CD1 4.15Å; A475-Y512 PolarHBondContact N-O 3.06Å; A475-E513 HydrophobicContact CB-CB 4.19Å
476C95.6Very high93.6Very high2 Ų232.4 Ų32.41%0.01417%0.167CC..EExtended strand (participates in β ladder)trans-100.86.2178.5-57.30000113.3A474 T478 A520 V541 D542 L560A474-C476 PolarHBondContact O-N 2.66Å; C476-T478 VanDerWaalsContact C-N 3.31Å; C476-T478 PolarHBondContact O-N 2.94Å; C476-A520 HydrophobicContact CB-CB 4.07Å; C476-V541 HydrophobicContact CB-CG1 4Å; C476-D542 CarbonylContact C-O 3.26Å; C476-D542 WeakPolarHBondContact CA-O 3.25Å; C476-D542 WeakPolarHBondContact CB-O 3.45Å; C476-D542 PolarHBondContact N-O 3.32Å; C476-L560 HydrophobicContact CB-CD1 4.39Å
477D94.2Very high93.8Very high4 Ų431.6 Ų31.62%0.02116%0.163CC..  trans-81.876.9163.7-174.32.3000109.7F479 R480 A483 D542 A544D477-F479 VanDerWaalsContact C-N 3.29Å; D477-R480 WeakPolarHBondContact OD1-CB 3.25Å; D477-R480 PolarHBondContact OD1-N 3.17Å; D477-R480 VanDerWaalsContact OD1-N 3.14Å; D477-R480 IonicContact OD2-CZ 3.78Å; D477-R480 IonicContact OD2-NE 3.49Å; D477-R480 PolarHBondContact OD2-NE 3.28Å; D477-R480 IonicContact OD2-NH2 3.41Å; D477-A483 HydrophobicContact CB-CB 3.83Å; D477-A483 VanDerWaalsContact CG-CB 3.49Å; D477-A483 VanDerWaalsContact OD2-CB 3.28Å; D477-A483 WeakPolarHBondContact OD2-CB 3.43Å; D477-D542 PolarHBondContact N-O 2.93Å; D477-D542 VanDerWaalsContact N-O 3.12Å; D477-A544 HydrophobicContact CB-CB 4.38Å; D477-A544 WeakPolarHBondContact OD1-CA 3.29Å; D477-A544 VanDerWaalsContact OD1-CB 3.3Å; D477-A544 WeakPolarHBondContact OD1-CB 3.23Å
478T87.6Confident93.9Very high23 Ų2331.6 Ų31.614%0.14116%0.162CC..  trans-88.15.8179.758.40000113.7C476 G517 R518 I523C476-T478 VanDerWaalsContact C-N 3.31Å; C476-T478 PolarHBondContact O-N 2.94Å; T478-G517 PolarHBondContact O-N 2.85Å; T478-R518 PolarHBondContact OG1-O 2.58Å; T478-I523 HydrophobicContact CG2-CD1 3.35Å
479F86.7Confident94Very high114 Ų11430 Ų3050%0.516%0.156SC..SBendtrans-105.6-40.3-174.7-175-100.4000112.7N235 D477 A544N235-F479 HydrophobicContact CB-CZ 4.15Å; D477-F479 VanDerWaalsContact C-N 3.29Å; F479-A544 HydrophobicContact CB-CB 4.29Å
480R88.3Confident94.1Very high108 Ų10831 Ų3141%0.40816%0.161SC..SBendtrans-85.7120.6-177.9179.4176.963.5126.56.9111.2S454 D477 G482 A483 Y516S454-R480 PolarHBondContact OG-NH2 3.03Å; D477-R480 WeakPolarHBondContact OD1-CB 3.25Å; D477-R480 PolarHBondContact OD1-N 3.17Å; D477-R480 VanDerWaalsContact OD1-N 3.14Å; D477-R480 IonicContact OD2-CZ 3.78Å; D477-R480 IonicContact OD2-NE 3.49Å; D477-R480 PolarHBondContact OD2-NE 3.28Å; D477-R480 IonicContact OD2-NH2 3.41Å; R480-G482 PolarHBondContact O-N 3.07Å; R480-A483 HydrophobicContact CB-CB 4.2Å; R480-A483 WeakPolarHBondContact O-CB 3.44Å; R480-A483 PolarHBondContact O-N 3.36Å; R480-A483 VanDerWaalsContact O-N 3.14Å; R480-Y516 WeakPolarHBondContact O-CE1 3.16Å
481S87.6Confident94.1Very high85 Ų8529.7 Ų29.759%0.59416%0.157SC*.THydrogen-bonded Turntrans-57.1131.9173.7-48.30000111.5A483S481-A483 VanDerWaalsContact C-N 3.34Å
482G91.4Very high93.9Very high34 Ų3435.4 Ų35.435%0.35118%0.179SC..THydrogen-bonded Turntrans84.4-2-178.900000114.9R480 E485 Q486 Y516R480-G482 PolarHBondContact O-N 3.07Å; G482-E485 WeakPolarHBondContact CA-OE2 3.42Å; G482-E485 PolarHBondContact O-N 3.35Å; G482-Q486 WeakPolarHBondContact O-CB 3.26Å; G482-Q486 PolarHBondContact O-N 3.01Å; G482-Y516 WeakPolarHBondContact CA-OH 3.44Å; G482-Y516 PolarHBondContact N-OH 2.95Å
483A93Very high93.7Very high1 Ų137.6 Ų37.61%0.00819%0.188CC..Hα-helixtrans-65.1-42.4178.900000112.1D477 R480 S481 Q486 L487 Y516D477-A483 HydrophobicContact CB-CB 3.83Å; D477-A483 VanDerWaalsContact CG-CB 3.49Å; D477-A483 VanDerWaalsContact OD2-CB 3.28Å; D477-A483 WeakPolarHBondContact OD2-CB 3.43Å; R480-A483 HydrophobicContact CB-CB 4.2Å; R480-A483 WeakPolarHBondContact O-CB 3.44Å; R480-A483 PolarHBondContact O-N 3.36Å; R480-A483 VanDerWaalsContact O-N 3.14Å; S481-A483 VanDerWaalsContact C-N 3.34Å; A483-Q486 WeakPolarHBondContact O-CB 3.43Å; A483-Q486 PolarHBondContact O-N 3.23Å; A483-L487 PolarHBondContact O-N 3.45Å; A483-L487 VanDerWaalsContact O-N 3.15Å; A483-Y516 PolarHBondContact N-OH 3.45Å
484V93.5Very high93.5Very high1 Ų137.6 Ų37.61%0.00619%0.188CC..Hα-helixtrans-65.9-45.3177.4-178.80000110.2A475 Q486 L487 R488 E513 Y516A475-V484 HydrophobicContact CB-CG2 4.35Å; V484-Q486 VanDerWaalsContact C-N 3.29Å; V484-Q486 PolarHBondContact O-N 2.85Å; V484-L487 PolarHBondContact O-N 3.14Å; V484-R488 WeakPolarHBondContact O-CB 3.36Å; V484-R488 PolarHBondContact O-N 2.91Å; V484-E513 HydrophobicContact CG1-CB 4.02Å; V484-E513 HydrophobicContact CG1-CG 4.44Å; V484-E513 WeakPolarHBondContact CG1-OE2 3.36Å; V484-Y516 HydrophobicContact CB-CE1 4.49Å; V484-Y516 HydrophobicContact CB-CE2 4.32Å; V484-Y516 HydrophobicContact CG2-CD1 4.45Å; V484-Y516 HydrophobicContact CG2-CE1 3.82Å; V484-Y516 HydrophobicContact CG2-CE2 4.21Å; V484-Y516 PolarHBondContact N-OH 2.89Å
485E93.8Very high93.3Very high45 Ų4539.2 Ų39.221%0.2120%0.197CC..Hα-helixtrans-60.1-36.9175.3-72.860.2-131.800112.8G482 R488 T489 Y516G482-E485 WeakPolarHBondContact CA-OE2 3.42Å; G482-E485 PolarHBondContact O-N 3.35Å; E485-R488 PolarHBondContact O-N 3.07Å; E485-R488 IonicContact OE1-CZ 3.5Å; E485-R488 IonicContact OE1-NH1 2.94Å; E485-R488 PolarHBondContact OE1-NH1 3.28Å; E485-R488 IonicContact OE1-NH2 3.95Å; E485-T489 PolarHBondContact O-N 3.34Å; E485-T489 PolarHBondContact O-OG1 3.13Å; E485-Y516 PolarHBondContact OE2-OH 2.88Å
486Q95Very high93.1Very high53 Ų5342 Ų4225%0.24821%0.207CC..Hα-helixtrans-62.2-49.8176.1-176.7-178.9-000110.4G482 A483 V484 R488 T489 H490G482-Q486 WeakPolarHBondContact O-CB 3.26Å; G482-Q486 PolarHBondContact O-N 3.01Å; A483-Q486 WeakPolarHBondContact O-CB 3.43Å; A483-Q486 PolarHBondContact O-N 3.23Å; V484-Q486 VanDerWaalsContact C-N 3.29Å; V484-Q486 PolarHBondContact O-N 2.85Å; Q486-R488 VanDerWaalsContact C-N 3.35Å; Q486-R488 PolarHBondContact O-N 3.17Å; Q486-T489 WeakPolarHBondContact O-CB 3.42Å; Q486-T489 PolarHBondContact O-N 3.28Å; Q486-H490 PolarHBondContact O-CD2 3.25Å; Q486-H490 VanDerWaalsContact O-CD2 3.22Å; Q486-H490 PolarHBondContact O-N 2.85Å; Q486-H490 VanDerWaalsContact O-N 3.08Å
487L96.5Very high92.9Very high1 Ų142.1 Ų42.11%0.00521%0.208CC..Hα-helixtrans-64.8-38.8176.9-66.7178.6000112I473 A475 A483 V484 T489 H490 V491 L511 D542I473-L487 HydrophobicContact CG2-CD1 4.09Å; I473-L487 HydrophobicContact CG2-CD2 4.22Å; A475-L487 HydrophobicContact CB-CD1 3.76Å; A483-L487 PolarHBondContact O-N 3.45Å; A483-L487 VanDerWaalsContact O-N 3.15Å; V484-L487 PolarHBondContact O-N 3.14Å; L487-T489 VanDerWaalsContact C-N 3.3Å; L487-T489 PolarHBondContact O-N 3.21Å; L487-H490 WeakPolarHBondContact O-CB 3.35Å; L487-H490 PolarHBondContact O-N 3.24Å; L487-H490 VanDerWaalsContact O-N 3.1Å; L487-V491 VanDerWaalsContact O-CG2 3.25Å; L487-V491 WeakPolarHBondContact O-CG2 3.4Å; L487-V491 PolarHBondContact O-N 3.15Å; L487-L511 HydrophobicContact CB-CD1 3.87Å; L487-L511 HydrophobicContact CB-CD2 4.45Å; L487-L511 HydrophobicContact CD1-CD1 4.38Å; L487-D542 HydrophobicContact CD1-CB 3.84Å
488R95.3Very high92.8Very high44 Ų4442.1 Ų42.117%0.16621%0.208CC..Hα-helixtrans-59.3-42175.1-165.6-178-61.7123.8-4.2111.7V484 E485 Q486 V491 R492 L511 E513V484-R488 WeakPolarHBondContact O-CB 3.36Å; V484-R488 PolarHBondContact O-N 2.91Å; E485-R488 PolarHBondContact O-N 3.07Å; E485-R488 IonicContact OE1-CZ 3.5Å; E485-R488 IonicContact OE1-NH1 2.94Å; E485-R488 PolarHBondContact OE1-NH1 3.28Å; E485-R488 IonicContact OE1-NH2 3.95Å; Q486-R488 VanDerWaalsContact C-N 3.35Å; Q486-R488 PolarHBondContact O-N 3.17Å; R488-V491 PolarHBondContact O-N 3.35Å; R488-R492 WeakPolarHBondContact O-CB 3.28Å; R488-R492 WeakPolarHBondContact O-CG 3.26Å; R488-R492 PolarHBondContact O-N 3.47Å; R488-L511 HydrophobicContact CB-CD2 3.82Å; R488-L511 HydrophobicContact CG-CD2 4.27Å; R488-E513 IonicContact CZ-OE1 2.76Å; R488-E513 IonicContact CZ-OE2 2.63Å; R488-E513 IonicContact NE-OE1 3.36Å; R488-E513 IonicContact NE-OE2 2.83Å; R488-E513 PolarHBondContact NE-OE2 3.38Å; R488-E513 IonicContact NH2-OE1 2.84Å; R488-E513 PolarHBondContact NH2-OE1 3.32Å; R488-E513 IonicContact NH2-OE2 3.69Å; R488-E513 PolarHBondContact NH2-OE2 3.15Å
489T95.3Very high92.9Very high67 Ų6742.2 Ų42.241%0.41121%0.209SC..Hα-helixtrans-61.6-44.5173.4-59.10000111.5E485 Q486 L487 R492 K493E485-T489 PolarHBondContact O-N 3.34Å; E485-T489 PolarHBondContact O-OG1 3.13Å; Q486-T489 WeakPolarHBondContact O-CB 3.42Å; Q486-T489 PolarHBondContact O-N 3.28Å; L487-T489 VanDerWaalsContact C-N 3.3Å; L487-T489 PolarHBondContact O-N 3.21Å; T489-R492 PolarHBondContact O-N 3.15Å; T489-K493 HydrophobicContact CG2-CD 4.3Å; T489-K493 WeakPolarHBondContact O-CG 3.5Å; T489-K493 PolarHBondContact O-N 2.9Å
490H96.3Very high93.1Very high27 Ų2737.3 Ų37.313%0.12519%0.189CC..Hα-helixtrans-61.1-48.6176.8-74.7-57.6000112A458 Q486 L487 R492 K493 L494 Y642A458-H490 HydrophobicContact CB-CB 3.85Å; Q486-H490 PolarHBondContact O-CD2 3.25Å; Q486-H490 VanDerWaalsContact O-CD2 3.22Å; Q486-H490 PolarHBondContact O-N 2.85Å; Q486-H490 VanDerWaalsContact O-N 3.08Å; L487-H490 WeakPolarHBondContact O-CB 3.35Å; L487-H490 PolarHBondContact O-N 3.24Å; L487-H490 VanDerWaalsContact O-N 3.1Å; H490-R492 VanDerWaalsContact C-N 3.34Å; H490-R492 PolarHBondContact O-N 2.98Å; H490-K493 PolarHBondContact O-N 3.35Å; H490-K493 VanDerWaalsContact O-N 3.14Å; H490-L494 WeakPolarHBondContact O-CB 3.48Å; H490-L494 VanDerWaalsContact O-CG 3.28Å; H490-L494 WeakPolarHBondContact O-CG 3.23Å; H490-L494 PolarHBondContact O-N 2.96Å; H490-Y642 WeakPolarHBondContact CA-OH 3.4Å; H490-Y642 AromaticContact CE1-CE1 3.98Å; H490-Y642 AromaticContact ND1-CE1 3.43Å; H490-Y642 WeakPolarHBondContact ND1-CE1 3.49Å; H490-Y642 AromaticContact ND1-CZ 3.56Å; H490-Y642 PolarHBondContact ND1-OH 3.43Å
491V96.1Very high93.1Very high12 Ų1238.3 Ų38.37%0.07320%0.203CC..Hα-helixtrans-60.2-42.2179.2173.40000111.4I473 L487 R488 L494 N495 V509 L511I473-V491 HydrophobicContact CD1-CG2 3.89Å; L487-V491 VanDerWaalsContact O-CG2 3.25Å; L487-V491 WeakPolarHBondContact O-CG2 3.4Å; L487-V491 PolarHBondContact O-N 3.15Å; R488-V491 PolarHBondContact O-N 3.35Å; V491-L494 PolarHBondContact O-N 2.88Å; V491-N495 WeakPolarHBondContact O-CB 3.47Å; V491-N495 PolarHBondContact O-N 2.98Å; V491-N495 PolarHBondContact O-ND2 2.88Å; V491-V509 HydrophobicContact CG1-CG2 4.46Å; V491-V509 HydrophobicContact CG2-CG2 4.41Å; V491-L511 HydrophobicContact CB-CB 4.41Å; V491-L511 HydrophobicContact CG1-CB 4.31Å; V491-L511 HydrophobicContact CG2-CB 3.84Å; V491-L511 HydrophobicContact CG2-CD1 4.27Å; V491-L511 HydrophobicContact CG2-CG 4.49Å
492R94.9Very high93Very high121 Ų12138.3 Ų38.346%0.45719%0.193SC..Hα-helixtrans-60.3-46.5173.8-74.9175.4176.9-178.4-3.3112.1Y263 F265 R488 T489 H490 Y496Y263-R492 HydrophobicContact CD1-CB 4.5Å; Y263-R492 HydrophobicContact CE1-CB 4.17Å; Y263-R492 WeakPolarHBondContact CE1-O 3.17Å; F265-R492 HydrophobicContact CZ-CB 4.35Å; R488-R492 WeakPolarHBondContact O-CB 3.28Å; R488-R492 WeakPolarHBondContact O-CG 3.26Å; R488-R492 PolarHBondContact O-N 3.47Å; T489-R492 PolarHBondContact O-N 3.15Å; H490-R492 VanDerWaalsContact C-N 3.34Å; H490-R492 PolarHBondContact O-N 2.98Å; R492-Y496 WeakPolarHBondContact O-CB 3.33Å; R492-Y496 PolarHBondContact O-N 3.28Å
493K94.2Very high92.8Very high46 Ų4638.3 Ų38.320%0.218%0.184CC..Hα-helixtrans-63.7-40.5177.6-72.9-175.8175.8-161.60111.6F265 E269 L273 T489 H490 Y496 I497 Y642F265-K493 HydrophobicContact CE1-CG 3.74Å; F265-K493 HydrophobicContact CZ-CG 3.78Å; E269-K493 IonicContact OE1-NZ 2.73Å; E269-K493 PolarHBondContact OE1-NZ 3.36Å; L273-K493 HydrophobicContact CD1-CB 4.4Å; L273-K493 HydrophobicContact CD1-CG 4.12Å; L273-K493 HydrophobicContact CD2-CB 4.07Å; L273-K493 HydrophobicContact CD2-CD 4.32Å; L273-K493 HydrophobicContact CD2-CG 4.32Å; T489-K493 HydrophobicContact CG2-CD 4.3Å; T489-K493 WeakPolarHBondContact O-CG 3.5Å; T489-K493 PolarHBondContact O-N 2.9Å; H490-K493 PolarHBondContact O-N 3.35Å; H490-K493 VanDerWaalsContact O-N 3.14Å; K493-Y496 WeakPolarHBondContact O-CB 3.34Å; K493-Y496 PolarHBondContact O-N 3.29Å; K493-I497 VanDerWaalsContact O-CG1 3.3Å; K493-I497 WeakPolarHBondContact O-CG1 3.24Å; K493-I497 PolarHBondContact O-N 2.87Å; K493-I497 VanDerWaalsContact O-N 3.09Å; K493-Y642 HydrophobicContact CB-CE2 4.16Å
494L94.5Very high92.5Very high0 Ų041.9 Ų41.90%022%0.221CC..Hα-helixtrans-69.2-41.9178.4-67173.3000112.5A461 F462 I465 H490 V491 Y496 I497 H498 V509 Y642A461-L494 HydrophobicContact CB-CD1 3.97Å; F462-L494 HydrophobicContact CB-CD2 3.59Å; F462-L494 HydrophobicContact CD2-CD2 3.83Å; F462-L494 HydrophobicContact CG-CD2 4.01Å; I465-L494 HydrophobicContact CD1-CB 4.48Å; H490-L494 WeakPolarHBondContact O-CB 3.48Å; H490-L494 VanDerWaalsContact O-CG 3.28Å; H490-L494 WeakPolarHBondContact O-CG 3.23Å; H490-L494 PolarHBondContact O-N 2.96Å; V491-L494 PolarHBondContact O-N 2.88Å; L494-Y496 PolarHBondContact O-N 3.36Å; L494-I497 PolarHBondContact O-N 2.84Å; L494-H498 PolarHBondContact O-N 2.86Å; L494-V509 HydrophobicContact CB-CG1 3.72Å; L494-V509 HydrophobicContact CD1-CG2 4.32Å; L494-Y642 HydrophobicContact CD2-CD2 4.08Å; L494-Y642 HydrophobicContact CD2-CE2 3.87Å; L494-Y642 HydrophobicContact CG-CE2 4.4Å
495N93.4Very high92.2Very high33 Ų3344.4 Ų44.418%0.17625%0.248CC..Hα-helixtrans-64.9-29173.3-83.5-36.6000112.6Y263 V491 H498 P499 V509Y263-N495 WeakPolarHBondContact OH-CB 3.46Å; V491-N495 WeakPolarHBondContact O-CB 3.47Å; V491-N495 PolarHBondContact O-N 2.98Å; V491-N495 PolarHBondContact O-ND2 2.88Å; N495-H498 CarbonylContact O-C 3.48Å; N495-H498 VanDerWaalsContact O-C 3.26Å; N495-P499 VanDerWaalsContact O-CA 3.28Å; N495-P499 WeakPolarHBondContact O-CA 3.5Å; N495-P499 VanDerWaalsContact O-N 3.12Å; N495-V509 HydrophobicContact CB-CG1 4.44Å; N495-V509 PolarHBondContact ND2-O 3.49Å; N495-V509 WeakPolarHBondContact OD1-CG1 3.42Å; N495-V509 PolarHBondContact OD1-O 3.25Å
496Y91.9Very high92Very high60 Ų6047.4 Ų47.424%0.23526%0.261CS..Hα-helixtrans-69.1-40.9171.4-178.5-91.1000112.6Y263 F265 I270 L273 R492 K493 L494Y263-Y496 AromaticContact CD2-CD2 3.84Å; Y263-Y496 HydrophobicContact CD2-CD2 3.84Å; Y263-Y496 HydrophobicContact CE2-CD2 4.28Å; Y263-Y496 AromaticContact CG-CD2 3.99Å; Y263-Y496 HydrophobicContact CG-CD2 3.99Å; F265-Y496 HydrophobicContact CD2-CD2 4.01Å; F265-Y496 HydrophobicContact CD2-CE2 4.41Å; F265-Y496 HydrophobicContact CD2-CG 4.09Å; F265-Y496 HydrophobicContact CE2-CD1 4.46Å; F265-Y496 AromaticContact CE2-CD2 3.91Å; F265-Y496 HydrophobicContact CE2-CD2 3.91Å; F265-Y496 AromaticContact CE2-CG 3.77Å; F265-Y496 HydrophobicContact CE2-CG 3.77Å; I270-Y496 WeakPolarHBondContact CG2-OH 3.4Å; L273-Y496 HydrophobicContact CB-CD1 3.96Å; L273-Y496 HydrophobicContact CB-CE1 4.14Å; L273-Y496 HydrophobicContact CD1-CD1 3.96Å; L273-Y496 HydrophobicContact CD1-CE1 4.5Å; R492-Y496 WeakPolarHBondContact O-CB 3.33Å; R492-Y496 PolarHBondContact O-N 3.28Å; K493-Y496 WeakPolarHBondContact O-CB 3.34Å; K493-Y496 PolarHBondContact O-N 3.29Å; L494-Y496 PolarHBondContact O-N 3.36Å
497I91.1Very high91.9Very high5 Ų547.5 Ų47.53%0.02627%0.266CS..Hα-helixtrans-69.6-37.4176.3-60.9162.4000111L273 L276 R277 F462 K493 L494 P499 Y642L273-I497 HydrophobicContact CB-CD1 4.49Å; L273-I497 HydrophobicContact CB-CG1 4.01Å; L273-I497 HydrophobicContact CD2-CD1 3.77Å; L273-I497 HydrophobicContact CD2-CG1 4.13Å; L276-I497 HydrophobicContact CD1-CD1 4.42Å; R277-I497 HydrophobicContact CB-CG2 3.92Å; R277-I497 HydrophobicContact CG-CG2 4.25Å; F462-I497 HydrophobicContact CE2-CD1 4.35Å; F462-I497 HydrophobicContact CE2-CG2 3.79Å; K493-I497 VanDerWaalsContact O-CG1 3.3Å; K493-I497 WeakPolarHBondContact O-CG1 3.24Å; K493-I497 PolarHBondContact O-N 2.87Å; K493-I497 VanDerWaalsContact O-N 3.09Å; L494-I497 PolarHBondContact O-N 2.84Å; I497-P499 VanDerWaalsContact C-CD 3.43Å; I497-P499 WeakPolarHBondContact O-CD 3.41Å; I497-Y642 HydrophobicContact CD1-CD2 3.9Å; I497-Y642 HydrophobicContact CD1-CE2 4.02Å
498H91.6Very high91.8Very high4 Ų447.6 Ų47.62%0.01927%0.266CS..SBendtrans-122.568-177-65.6-71.4000112.1F462 I465 E466 L494 N495 H503F462-H498 AromaticContact CD2-NE2 3.48Å; F462-H498 WeakPolarHBondContact CD2-NE2 3.49Å; F462-H498 AromaticContact CE2-NE2 3.22Å; F462-H498 WeakPolarHBondContact CE2-NE2 3.45Å; I465-H498 HydrophobicContact CG2-CB 3.81Å; I465-H498 WeakPolarHBondContact CG2-CD2 3.36Å; E466-H498 VanDerWaalsContact CD-CE1 3.43Å; E466-H498 IonicContact OE1-CE1 3.71Å; E466-H498 PolarHBondContact OE1-CE1 3.4Å; E466-H498 IonicContact OE1-NE2 2.75Å; E466-H498 PolarHBondContact OE1-NE2 3.34Å; E466-H498 IonicContact OE2-CE1 3.17Å; L494-H498 PolarHBondContact O-N 2.86Å; N495-H498 CarbonylContact O-C 3.48Å; N495-H498 VanDerWaalsContact O-C 3.26Å; H498-H503 WeakPolarHBondContact CB-NE2 3.35Å; H498-H503 AromaticContact CG-NE2 3.79Å; H498-H503 AromaticContact ND1-CE1 3.99Å; H498-H503 AromaticContact ND1-NE2 3.45Å; H498-H503 PolarHBondContact ND1-NE2 3.33Å
499P90.1Very high91.8Very high26 Ų2645.5 Ų45.517%0.16926%0.258CS..  trans-64.8147.3179.328.2-36.6000111.3N495 I497 D501 Q502 H503N495-P499 VanDerWaalsContact O-CA 3.28Å; N495-P499 WeakPolarHBondContact O-CA 3.5Å; N495-P499 VanDerWaalsContact O-N 3.12Å; I497-P499 VanDerWaalsContact C-CD 3.43Å; I497-P499 WeakPolarHBondContact O-CD 3.41Å; P499-D501 PolarHBondContact O-N 3.06Å; P499-D501 VanDerWaalsContact O-N 3.14Å; P499-Q502 HydrophobicContact CG-CB 4.5Å; P499-Q502 HydrophobicContact CG-CG 3.88Å; P499-Q502 PolarHBondContact O-N 3.36Å; P499-H503 PolarHBondContact O-CD2 3.48Å
500A90.3Very high91.9Very high11 Ų1145 Ų459%0.09125%0.251CS..G310 helixtrans-55.2-35.5-176.500000113.1Q502 H503 G505 Q506A500-Q502 PolarHBondContact O-N 3.31Å; A500-Q502 VanDerWaalsContact O-N 3.1Å; A500-H503 CarbonylContact O-C 3.58Å; A500-H503 PolarHBondContact O-N 2.92Å; A500-G505 VanDerWaalsContact O-CA 3.26Å; A500-G505 WeakPolarHBondContact O-CA 3.19Å; A500-G505 PolarHBondContact O-N 2.94Å; A500-Q506 WeakPolarHBondContact CA-O 3.5Å
501D88.5Confident92Very high128 Ų12845 Ų4568%0.68425%0.252SS*.G310 helixtrans-55.1-30.2178.1-60.3-23000113.2P499P499-D501 PolarHBondContact O-N 3.06Å; P499-D501 VanDerWaalsContact O-N 3.14Å
502Q85.5Confident92Very high85 Ų8546.3 Ų46.340%0.39726%0.256SS..G310 helixtrans-84.6-14.4-179.6-66.5171.23.100113.3R277 P499 A500R277-Q502 VanDerWaalsContact CZ-NE2 3.31Å; P499-Q502 HydrophobicContact CG-CB 4.5Å; P499-Q502 HydrophobicContact CG-CG 3.88Å; P499-Q502 PolarHBondContact O-N 3.36Å; A500-Q502 PolarHBondContact O-N 3.31Å; A500-Q502 VanDerWaalsContact O-N 3.1Å
503H87.7Confident91.9Very high34 Ų3443 Ų4316%0.15725%0.246CC..G310 helixtrans-115.935.5-176-64.2-79.1000111.1H498 P499 A500 G505 Q506 M508H498-H503 WeakPolarHBondContact CB-NE2 3.35Å; H498-H503 AromaticContact CG-NE2 3.79Å; H498-H503 AromaticContact ND1-CE1 3.99Å; H498-H503 AromaticContact ND1-NE2 3.45Å; H498-H503 PolarHBondContact ND1-NE2 3.33Å; P499-H503 PolarHBondContact O-CD2 3.48Å; A500-H503 CarbonylContact O-C 3.58Å; A500-H503 PolarHBondContact O-N 2.92Å; H503-G505 VanDerWaalsContact C-N 3.31Å; H503-G505 PolarHBondContact O-N 2.95Å; H503-Q506 WeakPolarHBondContact O-CB 3.44Å; H503-Q506 PolarHBondContact O-N 3.44Å; H503-M508 HydrophobicContact CB-CG 3.71Å; H503-M508 HydrophobicContact CB-SD 3.7Å; H503-M508 WeakPolarHBondContact CD2-CG 3.39Å
504G86Confident91.8Very high77 Ų7743.9 Ų43.979%0.79425%0.251SS*.THydrogen-bonded Turntrans67.327.9178.200000114.2Q506G504-Q506 VanDerWaalsContact C-N 3.3Å
505G87.7Confident91.1Very high54 Ų5444 Ų4456%0.55725%0.252SS*.THydrogen-bonded Turntrans81.26.3-17700000114.1A500 H503A500-G505 VanDerWaalsContact O-CA 3.26Å; A500-G505 WeakPolarHBondContact O-CA 3.19Å; A500-G505 PolarHBondContact O-N 2.94Å; H503-G505 VanDerWaalsContact C-N 3.31Å; H503-G505 PolarHBondContact O-N 2.95Å
506Q89.3Confident90.6Very high107 Ų10743.8 Ų43.850%0.525%0.249SC..  trans-90.4135.1179.8-60.4-174.6-6.800111.6A500 H503 G504 M508A500-Q506 WeakPolarHBondContact CA-O 3.5Å; H503-Q506 WeakPolarHBondContact O-CB 3.44Å; H503-Q506 PolarHBondContact O-N 3.44Å; G504-Q506 VanDerWaalsContact C-N 3.3Å; Q506-M508 PolarHBondContact O-N 3.41Å
507T93.5Very high89.9Confident55 Ų5544 Ų4434%0.33727%0.269SS..  trans-72.4117.1169.4-58.30000109.4R470 V509R470-T507 PolarHBondContact NE-O 2.89Å; R470-T507 VanDerWaalsContact NE-O 3.1Å; T507-V509 VanDerWaalsContact CG2-O 3.32Å; T507-V509 WeakPolarHBondContact CG2-O 3.28Å
508M93.9Very high89.6Confident3 Ų351 Ų512%0.01530%0.295CS..  trans-81.8-29.4-179.2-64.7-54.8-7300113.1I465 F469 R470 V471 H503 Q506I465-M508 HydrophobicContact CG1-CB 4.41Å; I465-M508 HydrophobicContact CG2-CB 3.83Å; I465-M508 HydrophobicContact CG2-CE 4.28Å; I465-M508 HydrophobicContact CG2-CG 4.24Å; F469-M508 WeakPolarHBondContact O-CE 3.4Å; R470-M508 CarbonylContact C-O 3.55Å; R470-M508 WeakPolarHBondContact CA-O 3.3Å; R470-M508 HydrophobicContact CG-CE 4.12Å; R470-M508 HydrophobicContact CG-SD 3.79Å; V471-M508 PolarHBondContact N-O 3.41Å; H503-M508 HydrophobicContact CB-CG 3.71Å; H503-M508 HydrophobicContact CB-SD 3.7Å; H503-M508 WeakPolarHBondContact CD2-CG 3.39Å; Q506-M508 PolarHBondContact O-N 3.41Å
509V96.5Very high89.6Confident0 Ų055.4 Ų55.40%032%0.319CS..EExtended strand (participates in β ladder)trans-138.7132.8179.362.50000113I465 V471 I473 V491 L494 N495 T507I465-V509 HydrophobicContact CD1-CB 3.76Å; I465-V509 HydrophobicContact CD1-CG1 4.05Å; I465-V509 HydrophobicContact CD1-CG2 4.35Å; V471-V509 VanDerWaalsContact O-CA 3.27Å; V471-V509 WeakPolarHBondContact O-CA 3.22Å; I473-V509 HydrophobicContact CD1-CG2 4.07Å; I473-V509 HydrophobicContact CG1-CG2 4.4Å; V491-V509 HydrophobicContact CG1-CG2 4.46Å; V491-V509 HydrophobicContact CG2-CG2 4.41Å; L494-V509 HydrophobicContact CB-CG1 3.72Å; L494-V509 HydrophobicContact CD1-CG2 4.32Å; N495-V509 HydrophobicContact CB-CG1 4.44Å; N495-V509 PolarHBondContact ND2-O 3.49Å; N495-V509 WeakPolarHBondContact OD1-CG1 3.42Å; N495-V509 PolarHBondContact OD1-O 3.25Å; T507-V509 VanDerWaalsContact CG2-O 3.32Å; T507-V509 WeakPolarHBondContact CG2-O 3.28Å
510E97.1Very high89.7Confident56 Ų5655.1 Ų55.126%0.26232%0.319SS..EExtended strand (participates in β ladder)trans-136.6151.2179.6-169.5173.9152.500110.7V471 L472 I473 Y530 F536V471-E510 PolarHBondContact O-N 2.94Å; L472-E510 HydrophobicContact CD1-CB 3.88Å; L472-E510 HydrophobicContact CD1-CG 4.22Å; I473-E510 PolarHBondContact N-O 3.4Å; E510-Y530 VanDerWaalsContact OE1-CE1 3.25Å; E510-Y530 WeakPolarHBondContact OE1-CE1 3.15Å; E510-Y530 VanDerWaalsContact OE1-CZ 3.25Å; E510-Y530 PolarHBondContact OE1-OH 3.44Å; E510-F536 HydrophobicContact CB-CE1 4.05Å; E510-F536 HydrophobicContact CB-CE2 4.38Å; E510-F536 HydrophobicContact CB-CZ 3.56Å; E510-F536 HydrophobicContact CG-CZ 4.44Å; E510-F536 VanDerWaalsContact OE2-CZ 3.28Å; E510-F536 WeakPolarHBondContact OE2-CZ 3.45Å
511L97.5Very high89.9Confident27 Ų2754.8 Ų54.814%0.14132%0.316CS..EExtended strand (participates in β ladder)trans-103.1122.7175.8-17561.6000109.7I473 A475 L487 R488 V491 E513I473-L511 HydrophobicContact CB-CD1 4.15Å; I473-L511 HydrophobicContact CG2-CD1 3.84Å; A475-L511 HydrophobicContact CB-CD1 4.15Å; L487-L511 HydrophobicContact CB-CD1 3.87Å; L487-L511 HydrophobicContact CB-CD2 4.45Å; L487-L511 HydrophobicContact CD1-CD1 4.38Å; R488-L511 HydrophobicContact CB-CD2 3.82Å; R488-L511 HydrophobicContact CG-CD2 4.27Å; V491-L511 HydrophobicContact CB-CB 4.41Å; V491-L511 HydrophobicContact CG1-CB 4.31Å; V491-L511 HydrophobicContact CG2-CB 3.84Å; V491-L511 HydrophobicContact CG2-CD1 4.27Å; V491-L511 HydrophobicContact CG2-CG 4.49Å; L511-E513 WeakPolarHBondContact CD2-OE2 3.37Å; L511-E513 HydrophobicContact CG-CB 4.44Å
512Y96.9Very high90.2Very high41 Ų4151.1 Ų51.116%0.16130%0.301CS..EExtended strand (participates in β ladder)trans-96.1112.7167.1-167.1-87.6000109.6I473 A475 Q514 I523 S526 A527 Y530I473-Y512 PolarHBondContact O-N 3.49Å; A475-Y512 PolarHBondContact N-O 3.06Å; Y512-Q514 HydrophobicContact CE1-CG 4.04Å; Y512-Q514 PolarHBondContact OH-NE2 3.42Å; Y512-I523 HydrophobicContact CD1-CG2 4.04Å; Y512-I523 HydrophobicContact CE1-CG2 4.11Å; Y512-S526 WeakPolarHBondContact OH-CB 3.4Å; Y512-A527 HydrophobicContact CD1-CB 3.49Å; Y512-A527 VanDerWaalsContact CD1-CB 3.49Å; Y512-A527 HydrophobicContact CD2-CB 4.39Å; Y512-A527 HydrophobicContact CE1-CB 4.06Å; Y512-A527 HydrophobicContact CG-CB 3.69Å; Y512-Y530 AromaticContact CD2-CD1 3.85Å; Y512-Y530 HydrophobicContact CD2-CD1 3.85Å; Y512-Y530 HydrophobicContact CD2-CD2 4.49Å; Y512-Y530 AromaticContact CD2-CG 3.83Å; Y512-Y530 HydrophobicContact CD2-CG 3.83Å; Y512-Y530 HydrophobicContact CE2-CD1 4.37Å; Y512-Y530 HydrophobicContact CE2-CD2 4.24Å; Y512-Y530 AromaticContact CE2-CG 3.87Å; Y512-Y530 HydrophobicContact CE2-CG 3.87Å
513E93.5Very high90.7Very high51 Ų5147.1 Ų47.124%0.23828%0.282CS..  trans-133.2150.6178.862.5177.7-138.800111A475 V484 R488 L511A475-E513 HydrophobicContact CB-CB 4.19Å; V484-E513 HydrophobicContact CG1-CB 4.02Å; V484-E513 HydrophobicContact CG1-CG 4.44Å; V484-E513 WeakPolarHBondContact CG1-OE2 3.36Å; R488-E513 IonicContact CZ-OE1 2.76Å; R488-E513 IonicContact CZ-OE2 2.63Å; R488-E513 IonicContact NE-OE1 3.36Å; R488-E513 IonicContact NE-OE2 2.83Å; R488-E513 PolarHBondContact NE-OE2 3.38Å; R488-E513 IonicContact NH2-OE1 2.84Å; R488-E513 PolarHBondContact NH2-OE1 3.32Å; R488-E513 IonicContact NH2-OE2 3.69Å; R488-E513 PolarHBondContact NH2-OE2 3.15Å; L511-E513 WeakPolarHBondContact CD2-OE2 3.37Å; L511-E513 HydrophobicContact CG-CB 4.44Å
514Q90.4Very high91.1Very high65 Ų6545.5 Ų45.530%0.30428%0.275SS..  trans-131.327.6172.4-63.7-168.78.300112Y512 R518 I523Y512-Q514 HydrophobicContact CE1-CG 4.04Å; Y512-Q514 PolarHBondContact OH-NE2 3.42Å; Q514-R518 HydrophobicContact CB-CG 4.29Å; Q514-R518 WeakPolarHBondContact O-CG 3.45Å; Q514-I523 HydrophobicContact CB-CD1 4.45Å; Q514-I523 HydrophobicContact CB-CG1 4.2Å; Q514-I523 HydrophobicContact CG-CG1 4.35Å
515G80Confident91.6Very high3 Ų347.9 Ų47.93%0.03126%0.26CS..  trans71.8-166.8-175.900000114D246D246-G515 WeakPolarHBondContact OD2-CA 3.47Å
516Y83.3Confident92.1Very high28 Ų2846.9 Ų46.911%0.1124%0.244CC..SBendtrans-90.9158.8-177.6-67.8-79.4000112.9D246 R480 G482 A483 V484 E485 R518D246-Y516 HydrophobicContact CB-CD2 4Å; D246-Y516 PolarHBondContact OD2-N 3.22Å; R480-Y516 WeakPolarHBondContact O-CE1 3.16Å; G482-Y516 WeakPolarHBondContact CA-OH 3.44Å; G482-Y516 PolarHBondContact N-OH 2.95Å; A483-Y516 PolarHBondContact N-OH 3.45Å; V484-Y516 HydrophobicContact CB-CE1 4.49Å; V484-Y516 HydrophobicContact CB-CE2 4.32Å; V484-Y516 HydrophobicContact CG2-CD1 4.45Å; V484-Y516 HydrophobicContact CG2-CE1 3.82Å; V484-Y516 HydrophobicContact CG2-CE2 4.21Å; V484-Y516 PolarHBondContact N-OH 2.89Å; E485-Y516 PolarHBondContact OE2-OH 2.88Å; Y516-R518 VanDerWaalsContact C-N 3.28Å; Y516-R518 PolarHBondContact O-N 2.85Å
517G78.6Confident92.4Very high64 Ų6441.8 Ų41.866%0.6622%0.22SC*.SBendtrans76.42.2173.400000116.7T478T478-G517 PolarHBondContact O-N 2.85Å
518R83.8Confident92.6Very high153 Ų15340.2 Ų40.258%0.57721%0.209SC*.SBendtrans-82.1155.8172.5-66.1-65.7-144-1510.8111.7T478 Q514 Y516 A520 I523T478-R518 PolarHBondContact OG1-O 2.58Å; Q514-R518 HydrophobicContact CB-CG 4.29Å; Q514-R518 WeakPolarHBondContact O-CG 3.45Å; Y516-R518 VanDerWaalsContact C-N 3.28Å; Y516-R518 PolarHBondContact O-N 2.85Å; R518-A520 PolarHBondContact O-N 3.49Å; R518-I523 HydrophobicContact CB-CD1 3.57Å; R518-I523 HydrophobicContact CB-CG1 4.1Å
519D91.4Very high92.7Very high95 Ų9543.1 Ų43.151%0.50823%0.225SC..  trans-66.7122.7173.3173.346.2000111.3A521 S522 I523D519-A521 VanDerWaalsContact C-N 3.3Å; D519-A521 PolarHBondContact O-N 2.94Å; D519-A521 PolarHBondContact OD1-N 3.36Å; D519-A521 WeakPolarHBondContact OD2-CB 3.46Å; D519-S522 PolarHBondContact O-N 3.49Å; D519-S522 PolarHBondContact OD2-N 3.49Å; D519-I523 WeakPolarHBondContact O-CG1 3.21Å; D519-I523 PolarHBondContact O-N 2.92Å; D519-I523 VanDerWaalsContact O-N 3.11Å
520A93.2Very high92.7Very high20 Ų2045.9 Ų45.917%0.16524%0.236CC..Hα-helixtrans-62.1-35.6-177.600000112.3C476 R518 I523 A524 L560C476-A520 HydrophobicContact CB-CB 4.07Å; R518-A520 PolarHBondContact O-N 3.49Å; A520-I523 PolarHBondContact O-N 2.74Å; A520-A524 WeakPolarHBondContact O-CB 3.35Å; A520-A524 PolarHBondContact O-N 2.67Å; A520-L560 HydrophobicContact CB-CD1 3.83Å
521A94.1Very high92.8Very high4 Ų443.2 Ų43.23%0.03322%0.223CC..Hα-helixtrans-66.7-40.9179.700000111.7D519 R525 L560 N564D519-A521 VanDerWaalsContact C-N 3.3Å; D519-A521 PolarHBondContact O-N 2.94Å; D519-A521 PolarHBondContact OD1-N 3.36Å; D519-A521 WeakPolarHBondContact OD2-CB 3.46Å; A521-R525 PolarHBondContact O-N 2.79Å; A521-L560 HydrophobicContact CB-CB 4.03Å; A521-L560 HydrophobicContact CB-CG 4.47Å; A521-N564 PolarHBondContact O-ND2 3.03Å; A521-N564 VanDerWaalsContact O-ND2 3.15Å
522S94.5Very high92.7Very high52 Ų5247.3 Ų47.336%0.36424%0.237SC..Hα-helixtrans-65.4-40.5174.2-174.20000113.2D519 R525 S526D519-S522 PolarHBondContact O-N 3.49Å; D519-S522 PolarHBondContact OD2-N 3.49Å; S522-R525 PolarHBondContact O-N 3.4Å; S522-S526 WeakPolarHBondContact O-CB 3.42Å; S522-S526 PolarHBondContact O-N 3.37Å; S522-S526 PolarHBondContact O-OG 2.82Å
523I95.6Very high92.6Very high0 Ų051 Ų510%026%0.259CS..Hα-helixtrans-63.2-48.5176.4-66.5164.4000110.1T478 Y512 Q514 R518 D519 A520 R525 S526 A527T478-I523 HydrophobicContact CG2-CD1 3.35Å; Y512-I523 HydrophobicContact CD1-CG2 4.04Å; Y512-I523 HydrophobicContact CE1-CG2 4.11Å; Q514-I523 HydrophobicContact CB-CD1 4.45Å; Q514-I523 HydrophobicContact CB-CG1 4.2Å; Q514-I523 HydrophobicContact CG-CG1 4.35Å; R518-I523 HydrophobicContact CB-CD1 3.57Å; R518-I523 HydrophobicContact CB-CG1 4.1Å; D519-I523 WeakPolarHBondContact O-CG1 3.21Å; D519-I523 PolarHBondContact O-N 2.92Å; D519-I523 VanDerWaalsContact O-N 3.11Å; A520-I523 PolarHBondContact O-N 2.74Å; I523-R525 VanDerWaalsContact C-N 3.31Å; I523-R525 PolarHBondContact O-N 3.42Å; I523-S526 PolarHBondContact O-N 2.79Å; I523-S526 VanDerWaalsContact O-N 3.16Å; I523-A527 WeakPolarHBondContact O-CB 3.43Å; I523-A527 PolarHBondContact O-N 3.47Å
524A96.8Very high92.7Very high1 Ų155.6 Ų55.61%0.00828%0.275CS..Hα-helixtrans-57.8-43.4177.800000111.9A520 S526 A527 I528 V541 L560A520-A524 WeakPolarHBondContact O-CB 3.35Å; A520-A524 PolarHBondContact O-N 2.67Å; A524-S526 VanDerWaalsContact C-N 3.34Å; A524-S526 PolarHBondContact O-N 3.04Å; A524-A527 PolarHBondContact O-N 2.87Å; A524-I528 VanDerWaalsContact O-CG1 3.3Å; A524-I528 WeakPolarHBondContact O-CG1 3.38Å; A524-I528 PolarHBondContact O-N 3.09Å; A524-V541 HydrophobicContact CB-CG1 4.11Å; A524-V541 HydrophobicContact CB-CG2 4.48Å; A524-L560 HydrophobicContact CB-CD1 4.29Å; A524-L560 HydrophobicContact CB-CG 4.23Å
525R96.4Very high92.9Very high127 Ų12759.4 Ų59.448%0.47929%0.292SS..Hα-helixtrans-59.8-45.9176.2-171.7-174-74.7159.6-14.2111.9A521 S522 I523 A527 I528 N529 N564A521-R525 PolarHBondContact O-N 2.79Å; S522-R525 PolarHBondContact O-N 3.4Å; I523-R525 VanDerWaalsContact C-N 3.31Å; I523-R525 PolarHBondContact O-N 3.42Å; R525-A527 VanDerWaalsContact C-N 3.34Å; R525-I528 PolarHBondContact O-N 3.27Å; R525-N529 PolarHBondContact O-N 2.87Å; R525-N529 VanDerWaalsContact O-N 3.09Å; R525-N529 PolarHBondContact O-ND2 2.92Å; R525-N564 WeakPolarHBondContact CA-OD1 3.33Å; R525-N564 WeakPolarHBondContact CB-OD1 3.25Å; R525-N564 PolarHBondContact N-OD1 3.45Å
526S96.8Very high93.7Very high33 Ų3359.5 Ų59.523%0.23129%0.292CS..Hα-helixtrans-67.9-37.5-178.8-510000111.2Y512 S522 I523 A524 N529 Y530Y512-S526 WeakPolarHBondContact OH-CB 3.4Å; S522-S526 WeakPolarHBondContact O-CB 3.42Å; S522-S526 PolarHBondContact O-N 3.37Å; S522-S526 PolarHBondContact O-OG 2.82Å; I523-S526 PolarHBondContact O-N 2.79Å; I523-S526 VanDerWaalsContact O-N 3.16Å; A524-S526 VanDerWaalsContact C-N 3.34Å; A524-S526 PolarHBondContact O-N 3.04Å; S526-N529 PolarHBondContact O-N 3.04Å; S526-Y530 WeakPolarHBondContact O-CB 3.24Å; S526-Y530 PolarHBondContact O-N 3.3Å
527A97.4Very high94.4Very high0 Ų059.3 Ų59.30%029%0.293CS..Hα-helixtrans-64-43.4174.200000112.2L472 A474 Y512 I523 A524 R525 N529 Y530 A531L472-A527 HydrophobicContact CD2-CB 4.2Å; L472-A527 WeakPolarHBondContact CD2-O 3.27Å; A474-A527 HydrophobicContact CB-CB 3.54Å; Y512-A527 HydrophobicContact CD1-CB 3.49Å; Y512-A527 VanDerWaalsContact CD1-CB 3.49Å; Y512-A527 HydrophobicContact CD2-CB 4.39Å; Y512-A527 HydrophobicContact CE1-CB 4.06Å; Y512-A527 HydrophobicContact CG-CB 3.69Å; I523-A527 WeakPolarHBondContact O-CB 3.43Å; I523-A527 PolarHBondContact O-N 3.47Å; A524-A527 PolarHBondContact O-N 2.87Å; R525-A527 VanDerWaalsContact C-N 3.34Å; A527-N529 VanDerWaalsContact C-N 3.34Å; A527-N529 PolarHBondContact O-N 2.63Å; A527-Y530 PolarHBondContact O-N 2.98Å; A527-A531 WeakPolarHBondContact O-CB 3.17Å; A527-A531 PolarHBondContact O-N 3.42Å
528I96.8Very high95.3Very high21 Ų2156.3 Ų56.311%0.10826%0.261CS..Hα-helixtrans-63.6-41.1177.5-68.6164.9000111.1P440 A524 R525 A531 R532 V539 N564P440-I528 HydrophobicContact CG-CG2 4.25Å; A524-I528 VanDerWaalsContact O-CG1 3.3Å; A524-I528 WeakPolarHBondContact O-CG1 3.38Å; A524-I528 PolarHBondContact O-N 3.09Å; R525-I528 PolarHBondContact O-N 3.27Å; I528-A531 PolarHBondContact O-N 3.42Å; I528-R532 PolarHBondContact O-N 3.48Å; I528-V539 HydrophobicContact CG1-CG1 4.22Å; I528-N564 HydrophobicContact CD1-CB 3.89Å
529N96.5Very high96Very high65 Ų6549 Ų4935%0.34823%0.234SC..Hα-helixtrans-65.8-45.1174.8-71.3-24.6000111.5R525 S526 A527 A531 R532 D533R525-N529 PolarHBondContact O-N 2.87Å; R525-N529 VanDerWaalsContact O-N 3.09Å; R525-N529 PolarHBondContact O-ND2 2.92Å; S526-N529 PolarHBondContact O-N 3.04Å; A527-N529 VanDerWaalsContact C-N 3.34Å; A527-N529 PolarHBondContact O-N 2.63Å; N529-A531 VanDerWaalsContact C-N 3.3Å; N529-A531 PolarHBondContact O-N 3.27Å; N529-R532 WeakPolarHBondContact O-CB 3.26Å; N529-R532 PolarHBondContact O-N 3.29Å; N529-R532 VanDerWaalsContact O-N 3.13Å; N529-R532 PolarHBondContact OD1-NH1 3.2Å; N529-D533 VanDerWaalsContact O-CG 3.28Å; N529-D533 PolarHBondContact O-N 2.99Å
530Y97.2Very high96.3Very high57 Ų5744.5 Ų44.522%0.22421%0.21CC..Hα-helixtrans-58-42.3175.2-176.1-98.7000112.2L472 E510 Y512 S526 A527 R532 D533 R534 F536L472-Y530 HydrophobicContact CD1-CD1 3.97Å; L472-Y530 HydrophobicContact CD1-CE1 4.06Å; L472-Y530 HydrophobicContact CD2-CD1 3.86Å; E510-Y530 VanDerWaalsContact OE1-CE1 3.25Å; E510-Y530 WeakPolarHBondContact OE1-CE1 3.15Å; E510-Y530 VanDerWaalsContact OE1-CZ 3.25Å; E510-Y530 PolarHBondContact OE1-OH 3.44Å; Y512-Y530 AromaticContact CD2-CD1 3.85Å; Y512-Y530 HydrophobicContact CD2-CD1 3.85Å; Y512-Y530 HydrophobicContact CD2-CD2 4.49Å; Y512-Y530 AromaticContact CD2-CG 3.83Å; Y512-Y530 HydrophobicContact CD2-CG 3.83Å; Y512-Y530 HydrophobicContact CE2-CD1 4.37Å; Y512-Y530 HydrophobicContact CE2-CD2 4.24Å; Y512-Y530 AromaticContact CE2-CG 3.87Å; Y512-Y530 HydrophobicContact CE2-CG 3.87Å; S526-Y530 WeakPolarHBondContact O-CB 3.24Å; S526-Y530 PolarHBondContact O-N 3.3Å; A527-Y530 PolarHBondContact O-N 2.98Å; Y530-R532 PolarHBondContact O-N 2.88Å; Y530-D533 PolarHBondContact O-N 3.45Å; Y530-R534 HydrophobicContact CD1-CG 4.36Å; Y530-R534 HydrophobicContact CD2-CG 4.35Å; Y530-R534 HydrophobicContact CE1-CG 3.97Å; Y530-R534 HydrophobicContact CE2-CG 3.95Å; Y530-R534 WeakPolarHBondContact O-CB 3.44Å; Y530-R534 WeakPolarHBondContact O-CG 3.3Å; Y530-R534 PolarHBondContact O-N 3Å; Y530-F536 HydrophobicContact CE1-CE2 4.23Å
531A97.3Very high96.6Very high0 Ų043.6 Ų43.60%020%0.202CC..Hα-helixtrans-61.4-42.7175.500000112.4P440 L472 A527 I528 N529 H535 F536 V539P440-A531 HydrophobicContact CB-CB 4.05Å; P440-A531 HydrophobicContact CG-CB 4.09Å; L472-A531 HydrophobicContact CB-CB 4.42Å; L472-A531 HydrophobicContact CD2-CB 3.74Å; A527-A531 WeakPolarHBondContact O-CB 3.17Å; A527-A531 PolarHBondContact O-N 3.42Å; I528-A531 PolarHBondContact O-N 3.42Å; N529-A531 VanDerWaalsContact C-N 3.3Å; N529-A531 PolarHBondContact O-N 3.27Å; A531-H535 WeakPolarHBondContact O-CA 3.45Å; A531-H535 PolarHBondContact O-N 2.87Å; A531-F536 HydrophobicContact CB-CB 3.97Å; A531-F536 PolarHBondContact O-N 3.45Å; A531-V539 HydrophobicContact CB-CG2 3.22Å
532R95.8Very high96.7Very high114 Ų11443.4 Ų43.443%0.4320%0.2SC..Hα-helixtrans-61.1-47.6176-171.6-172-64.6127.22.6111.1I528 N529 Y530 R534 H535I528-R532 PolarHBondContact O-N 3.48Å; N529-R532 WeakPolarHBondContact O-CB 3.26Å; N529-R532 PolarHBondContact O-N 3.29Å; N529-R532 VanDerWaalsContact O-N 3.13Å; N529-R532 PolarHBondContact OD1-NH1 3.2Å; Y530-R532 PolarHBondContact O-N 2.88Å; R532-R534 VanDerWaalsContact C-N 3.35Å; R532-R534 PolarHBondContact O-N 3.16Å; R532-H535 PolarHBondContact O-N 3.37Å
533D96Very high96.8Very high118 Ų11841 Ų4163%0.63118%0.183SC*.Hα-helixtrans-68.8-32.9-176.7-63.2-16000112.5N529 Y530N529-D533 VanDerWaalsContact O-CG 3.28Å; N529-D533 PolarHBondContact O-N 2.99Å; Y530-D533 PolarHBondContact O-N 3.45Å
534R95Very high96.7Very high148 Ų14841.3 Ų41.356%0.55819%0.187SC*.THydrogen-bonded Turntrans-95.65179-65.2-68.7-166.7168.31.2113.8R470 Y530 R532 F536R470-R534 PolarHBondContact NH1-O 2.89Å; R470-R534 PolarHBondContact NH2-O 2.88Å; R470-R534 VanDerWaalsContact NH2-O 3.16Å; Y530-R534 HydrophobicContact CD1-CG 4.36Å; Y530-R534 HydrophobicContact CD2-CG 4.35Å; Y530-R534 HydrophobicContact CE1-CG 3.97Å; Y530-R534 HydrophobicContact CE2-CG 3.95Å; Y530-R534 WeakPolarHBondContact O-CB 3.44Å; Y530-R534 WeakPolarHBondContact O-CG 3.3Å; Y530-R534 PolarHBondContact O-N 3Å; R532-R534 VanDerWaalsContact C-N 3.35Å; R532-R534 PolarHBondContact O-N 3.16Å; R534-F536 VanDerWaalsContact C-N 3.35Å; R534-F536 HydrophobicContact CB-CD2 3.69Å; R534-F536 HydrophobicContact CB-CE2 3.67Å; R534-F536 HydrophobicContact CG-CE2 4.45Å; R534-F536 PolarHBondContact O-N 3.03Å
535H94.3Very high96.4Very high144 Ų14441.8 Ų41.867%0.66719%0.192SC*.THydrogen-bonded Turntrans53.344.7-178.5-55.9-63.6000114R470 A531 R532R470-H535 PolarHBondContact NH1-O 2.95Å; A531-H535 WeakPolarHBondContact O-CA 3.45Å; A531-H535 PolarHBondContact O-N 2.87Å; R532-H535 PolarHBondContact O-N 3.37Å
536F97.2Very high96.1Very high5 Ų536.3 Ų36.32%0.02217%0.171CC..  trans-75.2138.1164.9-75.6-84.4000109.5R470 L472 E510 Y530 A531 R534R470-F536 HydrophobicContact CB-CD1 3.81Å; R470-F536 HydrophobicContact CB-CE1 4.41Å; L472-F536 HydrophobicContact CB-CB 4.16Å; L472-F536 HydrophobicContact CB-CD1 4.18Å; L472-F536 HydrophobicContact CB-CD2 4.29Å; L472-F536 HydrophobicContact CB-CG 3.96Å; L472-F536 HydrophobicContact CD1-CD2 4.4Å; L472-F536 HydrophobicContact CD1-CE2 4.22Å; L472-F536 HydrophobicContact CD1-CZ 4.46Å; E510-F536 HydrophobicContact CB-CE1 4.05Å; E510-F536 HydrophobicContact CB-CE2 4.38Å; E510-F536 HydrophobicContact CB-CZ 3.56Å; E510-F536 HydrophobicContact CG-CZ 4.44Å; E510-F536 VanDerWaalsContact OE2-CZ 3.28Å; E510-F536 WeakPolarHBondContact OE2-CZ 3.45Å; Y530-F536 HydrophobicContact CE1-CE2 4.23Å; A531-F536 HydrophobicContact CB-CB 3.97Å; A531-F536 PolarHBondContact O-N 3.45Å; R534-F536 VanDerWaalsContact C-N 3.35Å; R534-F536 HydrophobicContact CB-CD2 3.69Å; R534-F536 HydrophobicContact CB-CE2 3.67Å; R534-F536 HydrophobicContact CG-CE2 4.45Å; R534-F536 PolarHBondContact O-N 3.03Å
537D97.2Very high95.7Very high25 Ų2539.4 Ų39.413%0.13418%0.183CC..SBendtrans-79.2-37-176.7-57.4-56000111.7R435 P440 Y441 F469 R470R435-D537 WeakPolarHBondContact CD-OD1 3.42Å; R435-D537 WeakPolarHBondContact CG-OD1 3.36Å; P440-D537 CarbonylContact C-O 3.55Å; P440-D537 WeakPolarHBondContact CA-O 3.36Å; Y441-D537 PolarHBondContact N-O 3.22Å; F469-D537 WeakPolarHBondContact CA-OD2 3.49Å; F469-D537 HydrophobicContact CB-CB 4.25Å; F469-D537 HydrophobicContact CD1-CB 3.75Å; R470-D537 PolarHBondContact N-OD2 2.94Å; R470-D537 PolarHBondContact O-N 2.58Å
538V98.1Very high95.2Very high0 Ų039.9 Ų39.90%019%0.185CC..EExtended strand (participates in β ladder)trans-131.1138.3-175.3-174.80000110.8A431 Y441 I443 L464 F469 R470 V471 L472 L540A431-V538 HydrophobicContact CB-CG2 4.08Å; Y441-V538 HydrophobicContact CD1-CG1 4.41Å; Y441-V538 CarbonylContact O-C 3.52Å; Y441-V538 VanDerWaalsContact O-CA 3.28Å; Y441-V538 WeakPolarHBondContact O-CA 3.41Å; Y441-V538 WeakPolarHBondContact O-CG1 3.44Å; I443-V538 HydrophobicContact CD1-CG1 4.21Å; I443-V538 HydrophobicContact CG1-CG1 4.43Å; L464-V538 HydrophobicContact CD1-CB 4.21Å; L464-V538 HydrophobicContact CD1-CG1 3.79Å; L464-V538 HydrophobicContact CD1-CG2 4.23Å; L464-V538 HydrophobicContact CD2-CG2 4.47Å; F469-V538 HydrophobicContact CB-CG2 4.32Å; F469-V538 HydrophobicContact CD1-CG2 4.35Å; F469-V538 HydrophobicContact CG-CG2 4.5Å; R470-V538 PolarHBondContact O-N 3.23Å; V471-V538 CarbonylContact C-O 3.15Å; V471-V538 WeakPolarHBondContact CA-O 3.28Å; V471-V538 HydrophobicContact CG2-CB 4.49Å; L472-V538 PolarHBondContact N-O 3.17Å; V538-L540 HydrophobicContact CG1-CD2 3.65Å; V538-L540 HydrophobicContact CG1-CG 4.29Å
539V98.4Very high94.7Very high0 Ų043.9 Ų43.90%021%0.206CC..EExtended strand (participates in β ladder)trans-113.8120.2171.2-179.40000109.2P440 Y441 S442 I443 L472 A474 I528 A531 V541P440-V539 HydrophobicContact CB-CG2 3.85Å; P440-V539 HydrophobicContact CG-CG2 4.37Å; Y441-V539 PolarHBondContact O-N 3.42Å; S442-V539 WeakPolarHBondContact CA-O 3.34Å; I443-V539 PolarHBondContact N-O 2.9Å; L472-V539 HydrophobicContact CB-CG2 4.32Å; L472-V539 HydrophobicContact CD2-CG2 4.42Å; L472-V539 CarbonylContact O-C 3.51Å; L472-V539 WeakPolarHBondContact O-CA 3.25Å; A474-V539 HydrophobicContact CB-CG1 4.39Å; I528-V539 HydrophobicContact CG1-CG1 4.22Å; A531-V539 HydrophobicContact CB-CG2 3.22Å; V539-V541 HydrophobicContact CG1-CG2 4.06Å
540L98.5Very high94.4Very high0 Ų043.1 Ų43.10%020%0.203CC..EExtended strand (participates in β ladder)trans-104.9113.7176.2-55.1-177.9000109.6I443 F445 L457 A461 L464 V471 L472 I473 A474 V538I443-L540 HydrophobicContact CB-CD2 3.9Å; I443-L540 HydrophobicContact CD1-CD2 3.76Å; I443-L540 HydrophobicContact CG1-CD2 4.09Å; F445-L540 HydrophobicContact CE2-CB 4.1Å; F445-L540 HydrophobicContact CE2-CD2 3.99Å; F445-L540 HydrophobicContact CE2-CG 4.48Å; F445-L540 HydrophobicContact CZ-CD2 4.42Å; L457-L540 HydrophobicContact CD1-CB 4.1Å; L457-L540 HydrophobicContact CD2-CB 3.88Å; L457-L540 HydrophobicContact CD2-CD1 3.93Å; L457-L540 HydrophobicContact CG-CB 3.89Å; L457-L540 HydrophobicContact CG-CD1 4.16Å; A461-L540 HydrophobicContact CB-CD1 3.7Å; L464-L540 HydrophobicContact CD1-CD1 4.43Å; L464-L540 HydrophobicContact CD1-CD2 4.15Å; V471-L540 HydrophobicContact CG1-CD1 3.6Å; V471-L540 HydrophobicContact CG1-CG 3.74Å; L472-L540 PolarHBondContact O-N 3.36Å; I473-L540 CarbonylContact C-O 3.48Å; I473-L540 WeakPolarHBondContact CA-O 3.43Å; A474-L540 PolarHBondContact N-O 3.33Å; V538-L540 HydrophobicContact CG1-CD2 3.65Å; V538-L540 HydrophobicContact CG1-CG 4.29Å
541V98.1Very high94Very high1 Ų145.8 Ų45.81%0.00622%0.217CC..EExtended strand (participates in β ladder)trans-97.3109.2-176.9-176.10000109.8I443 V444 F445 A474 C476 A524 V539 T543 L560I443-V541 PolarHBondContact O-N 3.14Å; V444-V541 HydrophobicContact CG2-CB 3.95Å; V444-V541 HydrophobicContact CG2-CG1 4.37Å; V444-V541 HydrophobicContact CG2-CG2 4.15Å; F445-V541 PolarHBondContact N-O 3.45Å; A474-V541 HydrophobicContact CB-CG2 4.26Å; C476-V541 HydrophobicContact CB-CG1 4Å; A524-V541 HydrophobicContact CB-CG1 4.11Å; A524-V541 HydrophobicContact CB-CG2 4.48Å; V539-V541 HydrophobicContact CG1-CG2 4.06Å; V541-T543 HydrophobicContact CG1-CG2 4.2Å; V541-L560 HydrophobicContact CG1-CD1 4.5Å; V541-L560 HydrophobicContact CG1-CD2 4.46Å
542D97.5Very high93.6Very high0 Ų049.9 Ų49.90%024%0.244CC..EExtended strand (participates in β ladder)trans-82.6122173.1-164.216.4000109.7S454 L457 A474 C476 D477 L487S454-D542 VanDerWaalsContact CB-OD2 3.27Å; S454-D542 WeakPolarHBondContact CB-OD2 3.44Å; S454-D542 PolarHBondContact OG-OD2 3.38Å; L457-D542 HydrophobicContact CD1-CB 3.62Å; A474-D542 PolarHBondContact O-N 2.97Å; C476-D542 CarbonylContact C-O 3.26Å; C476-D542 WeakPolarHBondContact CA-O 3.25Å; C476-D542 WeakPolarHBondContact CB-O 3.45Å; C476-D542 PolarHBondContact N-O 3.32Å; D477-D542 PolarHBondContact N-O 2.93Å; D477-D542 VanDerWaalsContact N-O 3.12Å; L487-D542 HydrophobicContact CD1-CB 3.84Å
543T95.5Very high93.2Very high1 Ų146.5 Ų46.51%0.00623%0.234CC..EExtended strand (participates in β ladder)trans-109.2151.2178.575.80000111.4V444 F445 K453 V541 G545 L557 L560V444-T543 HydrophobicContact CG1-CG2 3.86Å; F445-T543 WeakPolarHBondContact O-CB 3.29Å; F445-T543 WeakPolarHBondContact O-CG2 3.25Å; F445-T543 PolarHBondContact O-OG1 2.97Å; K453-T543 WeakPolarHBondContact CE-O 3.3Å; V541-T543 HydrophobicContact CG1-CG2 4.2Å; T543-G545 PolarHBondContact O-N 3.19Å; T543-L557 HydrophobicContact CG2-CD1 4.18Å; T543-L560 HydrophobicContact CG2-CD1 4.22Å
544A93.4Very high93Very high8 Ų841 Ų417%0.06620%0.204CC..  trans-54.4142.2173.200000111.5D477 F479 R546D477-A544 HydrophobicContact CB-CB 4.38Å; D477-A544 WeakPolarHBondContact OD1-CA 3.29Å; D477-A544 VanDerWaalsContact OD1-CB 3.3Å; D477-A544 WeakPolarHBondContact OD1-CB 3.23Å; F479-A544 HydrophobicContact CB-CB 4.29Å; A544-R546 PolarHBondContact O-NE 3.18Å; A544-R546 VanDerWaalsContact O-NE 3.16Å; A544-R546 PolarHBondContact O-NH2 2.75Å
545G90.9Very high92.8Very high11 Ų1139.2 Ų39.211%0.11320%0.198CC..  trans-66.2144.4167.600000111N449 T543N449-G545 WeakPolarHBondContact OD1-CA 3.09Å; N449-G545 PolarHBondContact OD1-O 3.09Å; N449-G545 VanDerWaalsContact OD1-O 3.05Å; T543-G545 PolarHBondContact O-N 3.19Å
546R90.1Very high92.6Very high12 Ų1234.5 Ų34.55%0.04518%0.184CC..  trans-147.7140.9-17963.7-157.277.1-1421.9110.6G447 V448 N449 A544 L553 M554 F588G447-R546 PolarHBondContact O-N 3.47Å; V448-R546 WeakPolarHBondContact CA-O 3.43Å; N449-R546 PolarHBondContact OD1-N 2.89Å; A544-R546 PolarHBondContact O-NE 3.18Å; A544-R546 VanDerWaalsContact O-NE 3.16Å; A544-R546 PolarHBondContact O-NH2 2.75Å; R546-L553 HydrophobicContact CB-CB 3.75Å; R546-L553 HydrophobicContact CB-CD1 3.79Å; R546-L553 HydrophobicContact CB-CG 4.42Å; R546-L553 PolarHBondContact NH1-O 3.46Å; R546-M554 HydrophobicContact CG-SD 3.72Å; R546-F588 HydrophobicContact CG-CE1 4.18Å; R546-F588 HydrophobicContact CG-CZ 3.76Å
547M89.5Confident92.4Very high98 Ų9834.3 Ų34.348%0.48318%0.183SC..  trans-67.3142.2169.6-64.6-63.5-70.300108.9D549 N550M547-D549 PolarHBondContact O-N 3.17Å; M547-N550 HydrophobicContact CB-CB 4.35Å; M547-N550 WeakPolarHBondContact O-CB 3.19Å; M547-N550 PolarHBondContact O-N 3.02Å
548Q85.5Confident92.2Very high10 Ų1033.3 Ų33.35%0.04718%0.178CC..THydrogen-bonded Turntrans-62.7-22.8-177.665.9-83.31700113.5D583 Q584 K587 F588Q548-D583 PolarHBondContact NE2-OD2 3.38Å; Q548-Q584 HydrophobicContact CG-CG 4.46Å; Q548-K587 HydrophobicContact CB-CB 3.82Å; Q548-K587 HydrophobicContact CB-CD 4.1Å; Q548-K587 HydrophobicContact CG-CB 4.07Å; Q548-K587 HydrophobicContact CG-CD 3.47Å; Q548-K587 VanDerWaalsContact CG-CD 3.47Å; Q548-K587 HydrophobicContact CG-CG 4.42Å; Q548-F588 HydrophobicContact CB-CD2 3.77Å; Q548-F588 HydrophobicContact CB-CE2 3.77Å
549D87.3Confident91.9Very high104 Ų10436 Ų3656%0.55620%0.197SC*.THydrogen-bonded Turntrans-89-5.2177-61.9-42000114.1M547 E551 K587M547-D549 PolarHBondContact O-N 3.17Å; D549-E551 PolarHBondContact O-N 3.44Å; D549-K587 VanDerWaalsContact OD1-CD 3.25Å; D549-K587 WeakPolarHBondContact OD1-CD 3.26Å; D549-K587 WeakPolarHBondContact OD1-CE 3.47Å; D549-K587 IonicContact OD1-NZ 3.58Å; D549-K587 PolarHBondContact OD1-NZ 3.24Å; D549-K587 IonicContact OD2-NZ 4Å; D549-K587 PolarHBondContact OD2-NZ 3.21Å
550N90Very high91.7Very high50 Ų5036.2 Ų36.227%0.26720%0.198SC..  trans-83.785.1-177.2-169.1-38.6000110.6M547 P552 L553 M554M547-N550 HydrophobicContact CB-CB 4.35Å; M547-N550 WeakPolarHBondContact O-CB 3.19Å; M547-N550 PolarHBondContact O-N 3.02Å; N550-P552 VanDerWaalsContact OD1-CD 3.3Å; N550-P552 WeakPolarHBondContact OD1-CD 3.45Å; N550-L553 HydrophobicContact CB-CB 4.27Å; N550-L553 HydrophobicContact CB-CD1 4.29Å; N550-L553 HydrophobicContact CB-CG 4.48Å; N550-L553 WeakPolarHBondContact ND2-CD1 3.42Å; N550-L553 PolarHBondContact O-N 3.47Å; N550-L553 VanDerWaalsContact O-N 3.1Å; N550-L553 WeakPolarHBondContact OD1-CG 3.34Å; N550-L553 PolarHBondContact OD1-N 3.22Å; N550-M554 WeakPolarHBondContact O-CG 3.42Å; N550-M554 PolarHBondContact O-N 3.25Å
551E88.6Confident91.5Very high112 Ų11236.4 Ų36.452%0.52320%0.199SC..Hα-helixtrans-51-46.6-177.1-178.3-166.9168.100114D549 L553 M554 R555D549-E551 PolarHBondContact O-N 3.44Å; E551-L553 PolarHBondContact O-N 2.89Å; E551-M554 PolarHBondContact O-N 2.69Å; E551-R555 WeakPolarHBondContact O-CB 3.32Å; E551-R555 PolarHBondContact O-N 3.26Å; E551-R555 IonicContact OE1-CZ 3.45Å; E551-R555 IonicContact OE1-NH1 3.24Å; E551-R555 IonicContact OE1-NH2 2.62Å; E551-R555 PolarHBondContact OE1-NH2 3.38Å
552P89.3Confident91.2Very high86 Ų8638.7 Ų38.756%0.55821%0.21SC*.Hα-helixtrans-56.9-45.4175.1-26.633.3000114.1N550 A556N550-P552 VanDerWaalsContact OD1-CD 3.3Å; N550-P552 WeakPolarHBondContact OD1-CD 3.45Å; P552-A556 PolarHBondContact O-N 2.9Å; P552-A556 VanDerWaalsContact O-N 3.12Å
553L87.3Confident91Very high44 Ų4441.2 Ų41.223%0.2323%0.225CC..Hα-helixtrans-71.3-36179.1-66.7-179.3000111.6R546 N550 E551 A556 L557R546-L553 HydrophobicContact CB-CB 3.75Å; R546-L553 HydrophobicContact CB-CD1 3.79Å; R546-L553 HydrophobicContact CB-CG 4.42Å; R546-L553 PolarHBondContact NH1-O 3.46Å; N550-L553 HydrophobicContact CB-CB 4.27Å; N550-L553 HydrophobicContact CB-CD1 4.29Å; N550-L553 HydrophobicContact CB-CG 4.48Å; N550-L553 WeakPolarHBondContact ND2-CD1 3.42Å; N550-L553 PolarHBondContact O-N 3.47Å; N550-L553 VanDerWaalsContact O-N 3.1Å; N550-L553 WeakPolarHBondContact OD1-CG 3.34Å; N550-L553 PolarHBondContact OD1-N 3.22Å; E551-L553 PolarHBondContact O-N 2.89Å; L553-A556 PolarHBondContact O-N 3.47Å; L553-L557 PolarHBondContact O-N 2.94Å
554M90.7Very high90.9Very high1 Ų142.2 Ų42.21%0.00523%0.23CC..Hα-helixtrans-67.3-40.9176.6-70.8-53.5-64.300111.9R546 N550 E551 A556 L557 A558 F588 S591R546-M554 HydrophobicContact CG-SD 3.72Å; N550-M554 WeakPolarHBondContact O-CG 3.42Å; N550-M554 PolarHBondContact O-N 3.25Å; E551-M554 PolarHBondContact O-N 2.69Å; M554-A556 VanDerWaalsContact C-N 3.34Å; M554-A556 PolarHBondContact O-N 3.22Å; M554-L557 HydrophobicContact CE-CD2 4.44Å; M554-L557 WeakPolarHBondContact O-CB 3.33Å; M554-L557 PolarHBondContact O-N 2.94Å; M554-A558 PolarHBondContact O-N 3.33Å; M554-F588 HydrophobicContact CE-CB 4.22Å; M554-F588 HydrophobicContact CE-CD1 3.74Å; M554-F588 HydrophobicContact CE-CD2 4.13Å; M554-F588 HydrophobicContact CE-CE1 4.1Å; M554-F588 HydrophobicContact CE-CE2 4.49Å; M554-F588 HydrophobicContact CE-CG 3.76Å; M554-F588 HydrophobicContact CE-CZ 4.47Å; M554-F588 HydrophobicContact SD-CD1 4.27Å; M554-F588 HydrophobicContact SD-CD2 4.39Å; M554-F588 HydrophobicContact SD-CE1 4.02Å; M554-F588 HydrophobicContact SD-CE2 4.18Å; M554-F588 HydrophobicContact SD-CG 4.46Å; M554-F588 HydrophobicContact SD-CZ 3.99Å; M554-S591 VanDerWaalsContact CE-CB 3.42Å
555R90.6Very high91Very high111 Ų11148.2 Ų48.242%0.41926%0.257SS..Hα-helixtrans-61.1-41.2172.8-177.8178.2-67119.46.5112.1E551 L557 A558 S559 H595E551-R555 WeakPolarHBondContact O-CB 3.32Å; E551-R555 PolarHBondContact O-N 3.26Å; E551-R555 IonicContact OE1-CZ 3.45Å; E551-R555 IonicContact OE1-NH1 3.24Å; E551-R555 IonicContact OE1-NH2 2.62Å; E551-R555 PolarHBondContact OE1-NH2 3.38Å; R555-L557 VanDerWaalsContact C-N 3.35Å; R555-A558 PolarHBondContact O-N 2.87Å; R555-S559 WeakPolarHBondContact O-CB 3.11Å; R555-S559 PolarHBondContact O-N 3.4Å; R555-H595 PolarHBondContact NH2-NE2 3.15Å
556A90.5Very high91.2Very high45 Ų4547.8 Ų47.837%0.37225%0.252SS..Hα-helixtrans-63.9-39.1175.600000112.2P552 L553 M554 S559 L560P552-A556 PolarHBondContact O-N 2.9Å; P552-A556 VanDerWaalsContact O-N 3.12Å; L553-A556 PolarHBondContact O-N 3.47Å; M554-A556 VanDerWaalsContact C-N 3.34Å; M554-A556 PolarHBondContact O-N 3.22Å; A556-S559 PolarHBondContact O-N 2.85Å; A556-L560 PolarHBondContact O-N 2.63Å
557L93.4Very high91.5Very high1 Ų148.9 Ų48.91%0.00526%0.259CS..Hα-helixtrans-65-47.1174.6-179.862.6000111.7C446 T543 L553 M554 R555 S559 L560 I561 F588 L592C446-L557 HydrophobicContact CB-CD1 4.03Å; C446-L557 HydrophobicContact CB-CD2 3.73Å; T543-L557 HydrophobicContact CG2-CD1 4.18Å; L553-L557 PolarHBondContact O-N 2.94Å; M554-L557 HydrophobicContact CE-CD2 4.44Å; M554-L557 WeakPolarHBondContact O-CB 3.33Å; M554-L557 PolarHBondContact O-N 2.94Å; R555-L557 VanDerWaalsContact C-N 3.35Å; L557-S559 VanDerWaalsContact C-N 3.3Å; L557-S559 PolarHBondContact O-N 2.67Å; L557-L560 WeakPolarHBondContact O-CB 3.46Å; L557-L560 PolarHBondContact O-N 3.04Å; L557-L560 VanDerWaalsContact O-N 3.16Å; L557-I561 HydrophobicContact CD1-CD1 4.12Å; L557-I561 HydrophobicContact CD1-CG1 4.46Å; L557-I561 HydrophobicContact CG-CD1 4.14Å; L557-I561 PolarHBondContact O-N 3.43Å; L557-F588 HydrophobicContact CD2-CD1 4.07Å; L557-F588 HydrophobicContact CD2-CE1 3.85Å; L557-L592 HydrophobicContact CD2-CD2 4.43Å; L557-L592 HydrophobicContact CG-CD2 4.25Å
558A92.6Very high91.8Very high5 Ų544.5 Ų44.54%0.04124%0.237CC..Hα-helixtrans-60.1-42.117700000111.2M554 R555 L560 I561 Q562 L592 H595M554-A558 PolarHBondContact O-N 3.33Å; R555-A558 PolarHBondContact O-N 2.87Å; A558-L560 PolarHBondContact O-N 2.87Å; A558-I561 PolarHBondContact O-N 3.5Å; A558-Q562 WeakPolarHBondContact O-CB 3.4Å; A558-Q562 PolarHBondContact O-N 3.22Å; A558-L592 HydrophobicContact CB-CD2 4.05Å; A558-H595 HydrophobicContact CB-CB 3.53Å
559S91.5Very high92.3Very high57 Ų5744 Ų4440%0.39924%0.235SC..Hα-helixtrans-59.7-43.7173.7-174.70000112.3R555 A556 L557 T563R555-S559 WeakPolarHBondContact O-CB 3.11Å; R555-S559 PolarHBondContact O-N 3.4Å; A556-S559 PolarHBondContact O-N 2.85Å; L557-S559 VanDerWaalsContact C-N 3.3Å; L557-S559 PolarHBondContact O-N 2.67Å; S559-T563 WeakPolarHBondContact O-CB 3.37Å; S559-T563 PolarHBondContact O-N 2.93Å; S559-T563 PolarHBondContact O-OG1 2.95Å
560L94.4Very high92.8Very high3 Ų339 Ų392%0.01621%0.209CC..Hα-helixtrans-60.4-48176.3-178.5156.7000111.7V444 C476 A520 A521 A524 V541 T543 A556 L557 A558 N564V444-L560 HydrophobicContact CG1-CD2 4.11Å; V444-L560 HydrophobicContact CG2-CD2 3.99Å; C476-L560 HydrophobicContact CB-CD1 4.39Å; A520-L560 HydrophobicContact CB-CD1 3.83Å; A521-L560 HydrophobicContact CB-CB 4.03Å; A521-L560 HydrophobicContact CB-CG 4.47Å; A524-L560 HydrophobicContact CB-CD1 4.29Å; A524-L560 HydrophobicContact CB-CG 4.23Å; V541-L560 HydrophobicContact CG1-CD1 4.5Å; V541-L560 HydrophobicContact CG1-CD2 4.46Å; T543-L560 HydrophobicContact CG2-CD1 4.22Å; A556-L560 PolarHBondContact O-N 2.63Å; L557-L560 WeakPolarHBondContact O-CB 3.46Å; L557-L560 PolarHBondContact O-N 3.04Å; L557-L560 VanDerWaalsContact O-N 3.16Å; A558-L560 PolarHBondContact O-N 2.87Å; L560-N564 WeakPolarHBondContact O-CB 3.4Å; L560-N564 PolarHBondContact O-N 2.98Å; L560-N564 VanDerWaalsContact O-N 3.11Å; L560-N564 PolarHBondContact O-ND2 2.85Å
561I94.9Very high93.1Very high4 Ų436.7 Ų36.72%0.02120%0.196CC..Hα-helixtrans-67.4-45.8-179.2-69173.6000110.5V444 L557 A558 T563 Q565 P566 V569 L592 R602V444-I561 HydrophobicContact CG1-CD1 4.45Å; V444-I561 HydrophobicContact CG1-CG1 4.24Å; L557-I561 HydrophobicContact CD1-CD1 4.12Å; L557-I561 HydrophobicContact CD1-CG1 4.46Å; L557-I561 HydrophobicContact CG-CD1 4.14Å; L557-I561 PolarHBondContact O-N 3.43Å; A558-I561 PolarHBondContact O-N 3.5Å; I561-T563 VanDerWaalsContact C-N 3.35Å; I561-T563 PolarHBondContact O-N 3.38Å; I561-Q565 WeakPolarHBondContact O-CA 3.29Å; I561-Q565 PolarHBondContact O-N 3.13Å; I561-P566 HydrophobicContact CG1-CG 4.48Å; I561-P566 HydrophobicContact CG2-CG 4.04Å; I561-P566 WeakPolarHBondContact O-CD 3.5Å; I561-V569 HydrophobicContact CD1-CG1 3.83Å; I561-V569 HydrophobicContact CD1-CG2 4.1Å; I561-V569 HydrophobicContact CG1-CG2 4.43Å; I561-V569 HydrophobicContact CG2-CG2 4.06Å; I561-L592 HydrophobicContact CD1-CD1 4.06Å; I561-L592 HydrophobicContact CD1-CD2 3.69Å; I561-R602 HydrophobicContact CG2-CB 3.86Å
562Q92.4Very high93.5Very high50 Ų5031.3 Ų31.323%0.23417%0.171CC..Hα-helixtrans-61.9-43.3179-178.262.235.300112A558 Q565 S596A558-Q562 WeakPolarHBondContact O-CB 3.4Å; A558-Q562 PolarHBondContact O-N 3.22Å; Q562-Q565 WeakPolarHBondContact O-CG 3.41Å; Q562-S596 PolarHBondContact OE1-OG 3.05Å
563T92.5Very high93.8Very high52 Ų5227.2 Ų27.232%0.31914%0.144SC..Hα-helixtrans-68.7-40-176.7-70.60000112.6S559 I561S559-T563 WeakPolarHBondContact O-CB 3.37Å; S559-T563 PolarHBondContact O-N 2.93Å; S559-T563 PolarHBondContact O-OG1 2.95Å; I561-T563 VanDerWaalsContact C-N 3.35Å; I561-T563 PolarHBondContact O-N 3.38Å
564N94.5Very high94.1Very high22 Ų2227 Ų2712%0.11814%0.142CC..Hα-helixtrans-99-13-171.8-65.9-65000113.3A521 R525 I528 L560A521-N564 PolarHBondContact O-ND2 3.03Å; A521-N564 VanDerWaalsContact O-ND2 3.15Å; R525-N564 WeakPolarHBondContact CA-OD1 3.33Å; R525-N564 WeakPolarHBondContact CB-OD1 3.25Å; R525-N564 PolarHBondContact N-OD1 3.45Å; I528-N564 HydrophobicContact CD1-CB 3.89Å; L560-N564 WeakPolarHBondContact O-CB 3.4Å; L560-N564 PolarHBondContact O-N 2.98Å; L560-N564 VanDerWaalsContact O-N 3.11Å; L560-N564 PolarHBondContact O-ND2 2.85Å
565Q93.7Very high94.2Very high135 Ų13527 Ų2763%0.63114%0.142SC*.  trans43.759.5-179.5-61.6-174.2-16.500112.1I561 Q562I561-Q565 WeakPolarHBondContact O-CA 3.29Å; I561-Q565 PolarHBondContact O-N 3.13Å; Q562-Q565 WeakPolarHBondContact O-CG 3.41Å
566P95.9Very high94.2Very high1 Ų125.7 Ų25.71%0.00614%0.143CC..  trans-59.2155.3-174.628.5-36.9000111.3S442 V444 I561 V569 R602S442-P566 VanDerWaalsContact OG-CA 3.25Å; S442-P566 WeakPolarHBondContact OG-CA 3.31Å; V444-P566 HydrophobicContact CB-CB 4.37Å; V444-P566 HydrophobicContact CB-CG 4.38Å; V444-P566 HydrophobicContact CG2-CB 3.57Å; V444-P566 HydrophobicContact CG2-CG 3.79Å; I561-P566 HydrophobicContact CG1-CG 4.48Å; I561-P566 HydrophobicContact CG2-CG 4.04Å; I561-P566 WeakPolarHBondContact O-CD 3.5Å; P566-V569 HydrophobicContact CG-CG2 3.73Å; P566-R602 PolarHBondContact O-NH1 3.46Å; P566-R602 PolarHBondContact O-NH2 3.44Å
567D95.8Very high94Very high36 Ų3624.2 Ų24.219%0.19313%0.129CC..SBendtrans-70.9-37.7177-65.9-83.6000111.8R439 Y441 S442 R602R439-D567 IonicContact CZ-OD1 3.54Å; R439-D567 IonicContact NH1-OD1 3.46Å; R439-D567 PolarHBondContact NH1-OD1 3.08Å; R439-D567 IonicContact NH1-OD2 2.58Å; R439-D567 PolarHBondContact NH1-OD2 3.03Å; R439-D567 IonicContact NH2-OD1 2.96Å; R439-D567 PolarHBondContact NH2-OD1 3.3Å; Y441-D567 HydrophobicContact CD2-CB 3.47Å; Y441-D567 VanDerWaalsContact CD2-CB 3.47Å; Y441-D567 HydrophobicContact CE2-CB 3.24Å; Y441-D567 HydrophobicContact CG-CB 4.29Å; S442-D567 PolarHBondContact N-OD2 3.35Å; S442-D567 WeakPolarHBondContact O-CA 3.37Å; S442-D567 WeakPolarHBondContact O-CB 3.44Å; S442-D567 PolarHBondContact O-N 3.1Å; S442-D567 PolarHBondContact OG-N 3.16Å; S442-D567 PolarHBondContact OG-OD2 3.05Å; D567-R602 PolarHBondContact O-NH2 3.09Å
568L96.4Very high93.2Very high5 Ų524.8 Ų24.83%0.02614%0.135CC..EExtended strand (participates in β ladder)trans-138.2127.6-177.9-173.271000111.7V425 V427 Y441 S442 I443 V444 L570 D605V425-L568 HydrophobicContact CG1-CD1 3.81Å; V425-L568 HydrophobicContact CG1-CD2 4.1Å; V425-L568 HydrophobicContact CG2-CD1 4.38Å; V427-L568 HydrophobicContact CG2-CD2 3.98Å; Y441-L568 HydrophobicContact CE1-CB 4.43Å; Y441-L568 WeakPolarHBondContact OH-CB 3.38Å; S442-L568 PolarHBondContact O-N 2.84Å; S442-L568 VanDerWaalsContact O-N 3.08Å; I443-L568 WeakPolarHBondContact CA-O 3.5Å; I443-L568 HydrophobicContact CD1-CD2 4.42Å; I443-L568 HydrophobicContact CG1-CB 4.35Å; I443-L568 HydrophobicContact CG2-CB 4.35Å; I443-L568 HydrophobicContact CG2-CD2 4.19Å; I443-L568 HydrophobicContact CG2-CG 4.48Å; V444-L568 PolarHBondContact N-O 3.23Å; L568-L570 HydrophobicContact CD1-CD2 4.41Å; L568-L570 HydrophobicContact CD2-CD1 4.02Å; L568-L570 HydrophobicContact CD2-CD2 3.8Å; L568-L570 HydrophobicContact CD2-CG 3.82Å; L568-L570 HydrophobicContact CG-CD2 3.98Å; L568-L570 HydrophobicContact CG-CG 4Å; L568-D605 HydrophobicContact CD1-CB 3.53Å
569V96.4Very high92.9Very high0 Ų029.1 Ų29.10%016%0.158CC..EExtended strand (participates in β ladder)trans-103.7111.5170.8-177.20000109.6I561 P566 I604 D605 G606I561-V569 HydrophobicContact CD1-CG1 3.83Å; I561-V569 HydrophobicContact CD1-CG2 4.1Å; I561-V569 HydrophobicContact CG1-CG2 4.43Å; I561-V569 HydrophobicContact CG2-CG2 4.06Å; P566-V569 HydrophobicContact CG-CG2 3.73Å; V569-I604 HydrophobicContact CG1-CG1 4.43Å; V569-D605 PolarHBondContact N-OD2 3.2Å; V569-D605 PolarHBondContact O-N 3.25Å; V569-G606 PolarHBondContact O-N 3.2Å
570L97.2Very high92.7Very high0 Ų031.6 Ų31.60%016%0.163CC..EExtended strand (participates in β ladder)trans-101.1120.3178.1-68.9-179.5000111.1I443 V444 F445 C446 L568 G606 V608 V634I443-L570 HydrophobicContact CG2-CD1 3.72Å; I443-L570 HydrophobicContact CG2-CG 4Å; V444-L570 PolarHBondContact O-N 2.96Å; F445-L570 HydrophobicContact CD1-CB 4.33Å; F445-L570 HydrophobicContact CE1-CB 4.43Å; F445-L570 HydrophobicContact CE1-CD1 3.83Å; F445-L570 HydrophobicContact CZ-CD1 4.12Å; C446-L570 PolarHBondContact N-O 3.1Å; L568-L570 HydrophobicContact CD1-CD2 4.41Å; L568-L570 HydrophobicContact CD2-CD1 4.02Å; L568-L570 HydrophobicContact CD2-CD2 3.8Å; L568-L570 HydrophobicContact CD2-CG 3.82Å; L568-L570 HydrophobicContact CG-CD2 3.98Å; L568-L570 HydrophobicContact CG-CG 4Å; L570-G606 WeakPolarHBondContact CA-O 3.44Å; L570-V608 HydrophobicContact CB-CG2 4.21Å; L570-V608 HydrophobicContact CD1-CG2 3.91Å; L570-V608 HydrophobicContact CG-CG2 4.46Å; L570-V634 HydrophobicContact CD2-CB 4.31Å; L570-V634 HydrophobicContact CD2-CG2 3.87Å
571F96.6Very high92.4Very high0 Ų031.5 Ų31.50%016%0.163CC..EExtended strand (participates in β ladder)trans-84.1125.8168.6179-93.5000110.2C446 Q584 L585 F588 I604 G606 I607 V608C446-F571 CarbonylContact O-C 3.59Å; C446-F571 WeakPolarHBondContact O-CA 3.38Å; F571-Q584 HydrophobicContact CZ-CB 4.04Å; F571-L585 HydrophobicContact CB-CD1 3.97Å; F571-L585 HydrophobicContact CD1-CD1 3.32Å; F571-L585 HydrophobicContact CD2-CD1 3.89Å; F571-L585 HydrophobicContact CE1-CD1 3.67Å; F571-L585 HydrophobicContact CE2-CD1 4.19Å; F571-L585 HydrophobicContact CG-CD1 3.44Å; F571-L585 VanDerWaalsContact CG-CD1 3.44Å; F571-L585 HydrophobicContact CZ-CD1 4.09Å; F571-F588 HydrophobicContact CD2-CD1 4.17Å; F571-F588 HydrophobicContact CD2-CG 4.25Å; F571-F588 HydrophobicContact CE2-CB 4.44Å; F571-F588 HydrophobicContact CE2-CD1 4.15Å; F571-F588 HydrophobicContact CE2-CD2 4.03Å; F571-F588 HydrophobicContact CE2-CE1 4.41Å; F571-F588 HydrophobicContact CE2-CE2 4.27Å; F571-F588 AromaticContact CE2-CG 3.95Å; F571-F588 HydrophobicContact CE2-CG 3.95Å; F571-F588 HydrophobicContact CE2-CZ 4.45Å; F571-I604 HydrophobicContact CB-CD1 3.74Å; F571-I604 HydrophobicContact CB-CG1 4.1Å; F571-I604 HydrophobicContact CB-CG2 3.63Å; F571-I604 HydrophobicContact CD2-CD1 3.85Å; F571-I604 HydrophobicContact CG-CD1 4.02Å; F571-G606 PolarHBondContact N-O 2.98Å; F571-I607 HydrophobicContact CD1-CG2 4.48Å; F571-I607 CarbonylContact O-C 3.55Å; F571-I607 VanDerWaalsContact O-CA 3.31Å; F571-I607 WeakPolarHBondContact O-CA 3.37Å; F571-V608 PolarHBondContact O-N 2.77Å
572V96.9Very high92.1Very high0 Ų032.3 Ų32.30%017%0.168CC..EExtended strand (participates in β ladder)trans-100.2114.1177.6-170.20000108.5F445 C446 V451 K453 V608 T610F445-V572 HydrophobicContact CB-CG2 4.36Å; F445-V572 HydrophobicContact CD1-CG2 3.93Å; C446-V572 PolarHBondContact O-N 3.12Å; V451-V572 HydrophobicContact CB-CG1 4.41Å; V451-V572 HydrophobicContact CG2-CB 4.05Å; V451-V572 HydrophobicContact CG2-CG1 3.88Å; V451-V572 VanDerWaalsContact CG2-O 3.3Å; V451-V572 WeakPolarHBondContact CG2-O 3.5Å; K453-V572 HydrophobicContact CG-CB 3.87Å; K453-V572 HydrophobicContact CG-CG1 4.28Å; K453-V572 HydrophobicContact CG-CG2 3.93Å; V572-V608 WeakPolarHBondContact CA-O 3.46Å; V572-V608 HydrophobicContact CG1-CB 4.42Å; V572-V608 HydrophobicContact CG1-CG1 4.47Å; V572-V608 HydrophobicContact CG2-CB 4.23Å; V572-T610 HydrophobicContact CG1-CG2 3.46Å; V572-T610 VanDerWaalsContact CG1-CG2 3.46Å
573G95Very high92Very high0 Ų032.4 Ų32.40%017%0.17CC..EExtended strand (participates in β ladder)trans-123.2148.8177.100000110.6V608 L609 T610G573-V608 PolarHBondContact N-O 2.9Å; G573-L609 CarbonylContact O-C 3.57Å; G573-L609 WeakPolarHBondContact O-CA 3.31Å; G573-T610 PolarHBondContact O-N 3.23Å; G573-T610 PolarHBondContact O-OG1 2.59Å
574E94.3Very high92Very high39 Ų3930.6 Ų30.618%0.18216%0.158CC..EExtended strand (participates in β ladder)trans-92.5143.617668-172.7177.100111.3V451 L576 V577 T610 K611V451-E574 HydrophobicContact CG1-CB 4.47Å; V451-E574 HydrophobicContact CG1-CG 4.41Å; E574-L576 HydrophobicContact CG-CB 4.37Å; E574-L576 PolarHBondContact O-N 3.46Å; E574-V577 HydrophobicContact CG-CB 4.22Å; E574-V577 HydrophobicContact CG-CG2 3.28Å; E574-V577 PolarHBondContact O-N 3.39Å; E574-V577 VanDerWaalsContact OE1-CG2 3.25Å; E574-V577 WeakPolarHBondContact OE1-CG2 3.29Å; E574-T610 WeakPolarHBondContact CA-OG1 3.33Å; E574-K611 HydrophobicContact CB-CD 4.08Å; E574-K611 HydrophobicContact CB-CG 4.41Å; E574-K611 WeakPolarHBondContact OE2-CE 3.43Å; E574-K611 IonicContact OE2-NZ 2.86Å; E574-K611 PolarHBondContact OE2-NZ 2.98Å
575A93.1Very high91.9Very high0 Ų029.6 Ų29.60%015%0.152CC..THydrogen-bonded Turntrans-67.5-19.6-178.500000113.6N375 V577 L609 T610 F612 I615 A621N375-A575 PolarHBondContact ND2-O 3.42Å; A575-V577 PolarHBondContact O-N 2.84Å; A575-L609 HydrophobicContact CB-CD1 4.06Å; A575-L609 HydrophobicContact CB-CD2 4.32Å; A575-L609 HydrophobicContact CB-CG 4.06Å; A575-T610 WeakPolarHBondContact CB-O 3.38Å; A575-T610 PolarHBondContact N-O 2.66Å; A575-F612 HydrophobicContact CB-CD2 4.12Å; A575-I615 HydrophobicContact CB-CD1 3.99Å; A575-I615 HydrophobicContact CB-CG1 4.2Å; A575-I615 HydrophobicContact CB-CG2 3.88Å; A575-A621 WeakPolarHBondContact O-CB 3.36Å
576L89.5Confident91.8Very high85 Ų8526 Ų2645%0.44514%0.139SC..THydrogen-bonded Turntrans-68.1-19.4177-69.7164.7000112.8E574 G578 K611 T614 I615E574-L576 HydrophobicContact CG-CB 4.37Å; E574-L576 PolarHBondContact O-N 3.46Å; L576-G578 PolarHBondContact O-N 3.22Å; L576-K611 HydrophobicContact CD1-CB 4.49Å; L576-K611 HydrophobicContact CD1-CD 4.06Å; L576-T614 WeakPolarHBondContact CD1-OG1 3.4Å; L576-T614 WeakPolarHBondContact CD2-OG1 3.43Å; L576-T614 WeakPolarHBondContact CG-OG1 3.34Å; L576-I615 HydrophobicContact CD2-CG2 3.76Å; L576-I615 HydrophobicContact CG-CG2 4.09Å
577V86.6Confident91.6Very high13 Ų1328.3 Ų28.38%0.07915%0.15CC..  trans-81.8117-174.8177.90000110.1E574 A575 E580 A581 A621E574-V577 HydrophobicContact CG-CB 4.22Å; E574-V577 HydrophobicContact CG-CG2 3.28Å; E574-V577 PolarHBondContact O-N 3.39Å; E574-V577 VanDerWaalsContact OE1-CG2 3.25Å; E574-V577 WeakPolarHBondContact OE1-CG2 3.29Å; A575-V577 PolarHBondContact O-N 2.84Å; V577-E580 HydrophobicContact CG1-CB 3.56Å; V577-A581 HydrophobicContact CB-CB 4.39Å; V577-A581 HydrophobicContact CG1-CB 3.77Å; V577-A621 VanDerWaalsContact O-CB 3.26Å; V577-A621 WeakPolarHBondContact O-CB 3.49Å
578G77.6Confident91.4Very high13 Ų1326.6 Ų26.613%0.13414%0.14CC..SBendtrans-83-109.2172.800000112.5N375 L576 E580 A581N375-G578 WeakPolarHBondContact OD1-CA 3.3Å; L576-G578 PolarHBondContact O-N 3.22Å; G578-E580 VanDerWaalsContact C-N 3.3Å; G578-E580 PolarHBondContact O-N 3.26Å; G578-A581 VanDerWaalsContact O-CB 3.29Å; G578-A581 WeakPolarHBondContact O-CB 3.29Å; G578-A581 PolarHBondContact O-N 2.94Å; G578-A581 VanDerWaalsContact O-N 3.1Å
579N85.4Confident91.2Very high97 Ų9727.8 Ų27.852%0.51915%0.147SC..THydrogen-bonded Turntrans-58-35.6-175.7-69-37.7000114.4A377 M378 A581 V582A377-N579 WeakPolarHBondContact CA-OD1 3.35Å; A377-N579 WeakPolarHBondContact CB-OD1 3.45Å; M378-N579 PolarHBondContact N-OD1 2.8Å; N579-A581 PolarHBondContact O-N 3.43Å; N579-A581 VanDerWaalsContact O-N 3.15Å; N579-V582 PolarHBondContact O-N 3.42Å
580E87.9Confident91Very high109 Ų10932.8 Ų32.851%0.50917%0.17SC..Hα-helixtrans-63-19.8179.9-69.8-69.2134.400112.8V577 G578 V582 D583 Q584V577-E580 HydrophobicContact CG1-CB 3.56Å; G578-E580 VanDerWaalsContact C-N 3.3Å; G578-E580 PolarHBondContact O-N 3.26Å; E580-V582 PolarHBondContact O-N 3.27Å; E580-D583 PolarHBondContact O-N 3.02Å; E580-Q584 WeakPolarHBondContact O-CB 3.45Å; E580-Q584 WeakPolarHBondContact O-CG 3.16Å; E580-Q584 PolarHBondContact O-N 2.99Å
581A87.4Confident90.6Very high0 Ų033.7 Ų33.70%018%0.176CC..Hα-helixtrans-63.8-36.8179.400000110.7V577 G578 N579 L585 M625V577-A581 HydrophobicContact CB-CB 4.39Å; V577-A581 HydrophobicContact CG1-CB 3.77Å; G578-A581 VanDerWaalsContact O-CB 3.29Å; G578-A581 WeakPolarHBondContact O-CB 3.29Å; G578-A581 PolarHBondContact O-N 2.94Å; G578-A581 VanDerWaalsContact O-N 3.1Å; N579-A581 PolarHBondContact O-N 3.43Å; N579-A581 VanDerWaalsContact O-N 3.15Å; A581-L585 WeakPolarHBondContact O-CB 3.28Å; A581-L585 PolarHBondContact O-N 3.49Å; A581-L585 VanDerWaalsContact O-N 3.16Å; A581-M625 HydrophobicContact CB-CE 3.61Å; A581-M625 HydrophobicContact CB-CG 3.86Å
582V88.6Confident90.4Very high22 Ų2233.9 Ų33.913%0.13318%0.177CC..Hα-helixtrans-65.6-50176.9-179.10000109.9A377 I380 N579 E580 L585 V586 I628A377-V582 HydrophobicContact CB-CG2 3.64Å; I380-V582 HydrophobicContact CD1-CG2 4.36Å; I380-V582 HydrophobicContact CG1-CG2 3.89Å; N579-V582 PolarHBondContact O-N 3.42Å; E580-V582 PolarHBondContact O-N 3.27Å; V582-L585 PolarHBondContact O-N 3.25Å; V582-V586 HydrophobicContact CG1-CG2 4.4Å; V582-V586 WeakPolarHBondContact O-CB 3.24Å; V582-V586 VanDerWaalsContact O-CG2 3.22Å; V582-V586 WeakPolarHBondContact O-CG2 3.32Å; V582-V586 PolarHBondContact O-N 2.67Å; V582-I628 HydrophobicContact CG1-CB 4.47Å; V582-I628 HydrophobicContact CG1-CD1 4.07Å; V582-I628 HydrophobicContact CG1-CG1 3.91Å
583D90.8Very high90.1Very high51 Ų5135.4 Ų35.427%0.27319%0.19SC..Hα-helixtrans-62.4-46-178.5-175.467.8000112.1Q548 E580 L585 K587Q548-D583 PolarHBondContact NE2-OD2 3.38Å; E580-D583 PolarHBondContact O-N 3.02Å; D583-L585 PolarHBondContact O-N 2.97Å; D583-K587 WeakPolarHBondContact O-CB 3.44Å; D583-K587 WeakPolarHBondContact O-CG 3.38Å; D583-K587 PolarHBondContact O-N 2.92Å; D583-K587 WeakPolarHBondContact OD1-CD 3.32Å; D583-K587 WeakPolarHBondContact OD1-CE 3.31Å; D583-K587 IonicContact OD1-NZ 3.69Å; D583-K587 PolarHBondContact OD1-NZ 3.37Å; D583-K587 WeakPolarHBondContact OD2-CD 3.29Å; D583-K587 WeakPolarHBondContact OD2-CE 3.37Å; D583-K587 IonicContact OD2-NZ 3.74Å; D583-K587 PolarHBondContact OD2-NZ 3.24Å
584Q92.4Very high89.8Confident14 Ų1440.6 Ų40.67%0.06522%0.218CC..Hα-helixtrans-56.6-51.6176.8-71172.121.100111V448 Q548 F571 E580 F588V448-Q584 HydrophobicContact CG1-CG 3.85Å; Q548-Q584 HydrophobicContact CG-CG 4.46Å; F571-Q584 HydrophobicContact CZ-CB 4.04Å; E580-Q584 WeakPolarHBondContact O-CB 3.45Å; E580-Q584 WeakPolarHBondContact O-CG 3.16Å; E580-Q584 PolarHBondContact O-N 2.99Å; Q584-F588 WeakPolarHBondContact O-CB 3.44Å; Q584-F588 WeakPolarHBondContact O-CD2 3.4Å; Q584-F588 PolarHBondContact O-N 3.28Å
585L91.5Very high89.5Confident1 Ų140.8 Ų40.81%0.00522%0.219CC..Hα-helixtrans-70-39.3-173.2-153.562.6000112.3F571 A581 V582 D583 N589 I604 I607 M625 I628 S629F571-L585 HydrophobicContact CB-CD1 3.97Å; F571-L585 HydrophobicContact CD1-CD1 3.32Å; F571-L585 HydrophobicContact CD2-CD1 3.89Å; F571-L585 HydrophobicContact CE1-CD1 3.67Å; F571-L585 HydrophobicContact CE2-CD1 4.19Å; F571-L585 HydrophobicContact CG-CD1 3.44Å; F571-L585 VanDerWaalsContact CG-CD1 3.44Å; F571-L585 HydrophobicContact CZ-CD1 4.09Å; A581-L585 WeakPolarHBondContact O-CB 3.28Å; A581-L585 PolarHBondContact O-N 3.49Å; A581-L585 VanDerWaalsContact O-N 3.16Å; V582-L585 PolarHBondContact O-N 3.25Å; D583-L585 PolarHBondContact O-N 2.97Å; L585-N589 WeakPolarHBondContact O-CB 3.22Å; L585-N589 PolarHBondContact O-N 3.45Å; L585-I604 HydrophobicContact CD1-CD1 3.73Å; L585-I607 HydrophobicContact CD1-CD1 4.5Å; L585-I607 HydrophobicContact CD2-CD1 3.77Å; L585-M625 HydrophobicContact CD2-CB 4.2Å; L585-M625 VanDerWaalsContact CD2-O 3.26Å; L585-M625 WeakPolarHBondContact CD2-O 3.27Å; L585-I628 HydrophobicContact CB-CG2 4.08Å; L585-I628 HydrophobicContact CD2-CG2 3.58Å; L585-I628 HydrophobicContact CG-CG2 4.3Å; L585-S629 VanDerWaalsContact CD2-CB 3.41Å
586V91.8Very high89.1Confident59 Ų5941.7 Ų41.736%0.35823%0.225SC..Hα-helixtrans-62.2-52.4175.8170.90000110.6V582 F588 N589 Q590 I628V582-V586 HydrophobicContact CG1-CG2 4.4Å; V582-V586 WeakPolarHBondContact O-CB 3.24Å; V582-V586 VanDerWaalsContact O-CG2 3.22Å; V582-V586 WeakPolarHBondContact O-CG2 3.32Å; V582-V586 PolarHBondContact O-N 2.67Å; V586-F588 VanDerWaalsContact C-N 3.35Å; V586-F588 PolarHBondContact O-N 2.65Å; V586-N589 PolarHBondContact O-N 3.15Å; V586-Q590 VanDerWaalsContact O-CB 3.24Å; V586-Q590 WeakPolarHBondContact O-CB 3.23Å; V586-Q590 PolarHBondContact O-N 3.26Å; V586-I628 HydrophobicContact CG2-CD1 3.85Å; V586-I628 HydrophobicContact CG2-CG1 3.45Å; V586-I628 VanDerWaalsContact CG2-CG1 3.45Å
587K92Very high88.7Confident51 Ų5148 Ų4822%0.22224%0.244CC..Hα-helixtrans-67.3-34.6-178-75.6173.6177.7165.90112.7Q548 D549 D583 S591Q548-K587 HydrophobicContact CB-CB 3.82Å; Q548-K587 HydrophobicContact CB-CD 4.1Å; Q548-K587 HydrophobicContact CG-CB 4.07Å; Q548-K587 HydrophobicContact CG-CD 3.47Å; Q548-K587 VanDerWaalsContact CG-CD 3.47Å; Q548-K587 HydrophobicContact CG-CG 4.42Å; D549-K587 VanDerWaalsContact OD1-CD 3.25Å; D549-K587 WeakPolarHBondContact OD1-CD 3.26Å; D549-K587 WeakPolarHBondContact OD1-CE 3.47Å; D549-K587 IonicContact OD1-NZ 3.58Å; D549-K587 PolarHBondContact OD1-NZ 3.24Å; D549-K587 IonicContact OD2-NZ 4Å; D549-K587 PolarHBondContact OD2-NZ 3.21Å; D583-K587 WeakPolarHBondContact O-CB 3.44Å; D583-K587 WeakPolarHBondContact O-CG 3.38Å; D583-K587 PolarHBondContact O-N 2.92Å; D583-K587 WeakPolarHBondContact OD1-CD 3.32Å; D583-K587 WeakPolarHBondContact OD1-CE 3.31Å; D583-K587 IonicContact OD1-NZ 3.69Å; D583-K587 PolarHBondContact OD1-NZ 3.37Å; D583-K587 WeakPolarHBondContact OD2-CD 3.29Å; D583-K587 WeakPolarHBondContact OD2-CE 3.37Å; D583-K587 IonicContact OD2-NZ 3.74Å; D583-K587 PolarHBondContact OD2-NZ 3.24Å; K587-S591 WeakPolarHBondContact O-CB 3.45Å; K587-S591 PolarHBondContact O-N 2.78Å; K587-S591 PolarHBondContact O-OG 3.17Å
588F92.9Very high88.4Confident0 Ų049.9 Ų49.90%026%0.258CS..Hα-helixtrans-63.2-53172.9-93-107.5000111.2C446 V448 R546 Q548 M554 L557 F571 Q584 V586 Q590 S591 L592 I604C446-F588 HydrophobicContact CB-CE1 4.34Å; V448-F588 HydrophobicContact CG1-CE2 3.91Å; V448-F588 HydrophobicContact CG1-CZ 4.35Å; R546-F588 HydrophobicContact CG-CE1 4.18Å; R546-F588 HydrophobicContact CG-CZ 3.76Å; Q548-F588 HydrophobicContact CB-CD2 3.77Å; Q548-F588 HydrophobicContact CB-CE2 3.77Å; M554-F588 HydrophobicContact CE-CB 4.22Å; M554-F588 HydrophobicContact CE-CD1 3.74Å; M554-F588 HydrophobicContact CE-CD2 4.13Å; M554-F588 HydrophobicContact CE-CE1 4.1Å; M554-F588 HydrophobicContact CE-CE2 4.49Å; M554-F588 HydrophobicContact CE-CG 3.76Å; M554-F588 HydrophobicContact CE-CZ 4.47Å; M554-F588 HydrophobicContact SD-CD1 4.27Å; M554-F588 HydrophobicContact SD-CD2 4.39Å; M554-F588 HydrophobicContact SD-CE1 4.02Å; M554-F588 HydrophobicContact SD-CE2 4.18Å; M554-F588 HydrophobicContact SD-CG 4.46Å; M554-F588 HydrophobicContact SD-CZ 3.99Å; L557-F588 HydrophobicContact CD2-CD1 4.07Å; L557-F588 HydrophobicContact CD2-CE1 3.85Å; F571-F588 HydrophobicContact CD2-CD1 4.17Å; F571-F588 HydrophobicContact CD2-CG 4.25Å; F571-F588 HydrophobicContact CE2-CB 4.44Å; F571-F588 HydrophobicContact CE2-CD1 4.15Å; F571-F588 HydrophobicContact CE2-CD2 4.03Å; F571-F588 HydrophobicContact CE2-CE1 4.41Å; F571-F588 HydrophobicContact CE2-CE2 4.27Å; F571-F588 AromaticContact CE2-CG 3.95Å; F571-F588 HydrophobicContact CE2-CG 3.95Å; F571-F588 HydrophobicContact CE2-CZ 4.45Å; Q584-F588 WeakPolarHBondContact O-CB 3.44Å; Q584-F588 WeakPolarHBondContact O-CD2 3.4Å; Q584-F588 PolarHBondContact O-N 3.28Å; V586-F588 VanDerWaalsContact C-N 3.35Å; V586-F588 PolarHBondContact O-N 2.65Å; F588-Q590 PolarHBondContact O-N 3.08Å; F588-S591 PolarHBondContact O-N 2.92Å; F588-L592 VanDerWaalsContact O-CG 3.3Å; F588-L592 WeakPolarHBondContact O-CG 3.5Å; F588-L592 PolarHBondContact O-N 3.04Å; F588-I604 HydrophobicContact CB-CD1 3.94Å
589N91.6Very high88.4Confident30 Ų3057.4 Ų57.416%0.1630%0.295CS..Hα-helixtrans-61.4-43.7178.5-85.9-32.3000112.4L585 V586 S591 L592 A593 I604L585-N589 WeakPolarHBondContact O-CB 3.22Å; L585-N589 PolarHBondContact O-N 3.45Å; V586-N589 PolarHBondContact O-N 3.15Å; N589-S591 PolarHBondContact O-N 3.47Å; N589-L592 PolarHBondContact O-N 2.91Å; N589-A593 WeakPolarHBondContact O-CB 3.35Å; N589-A593 PolarHBondContact O-N 3.14Å; N589-I604 VanDerWaalsContact OD1-CB 3.28Å; N589-I604 WeakPolarHBondContact OD1-CB 3.17Å; N589-I604 WeakPolarHBondContact OD1-CD1 3.2Å; N589-I604 VanDerWaalsContact OD1-CG1 3.28Å; N589-I604 WeakPolarHBondContact OD1-CG1 3.13Å; N589-I604 PolarHBondContact OD1-N 3.04Å
590Q91.2Very high88.3Confident105 Ų10563.1 Ų63.149%0.49131%0.309SS..Hα-helixtrans-59.5-47.8176.3-179.9176.2200111V586 F588 L592 A593 D594V586-Q590 VanDerWaalsContact O-CB 3.24Å; V586-Q590 WeakPolarHBondContact O-CB 3.23Å; V586-Q590 PolarHBondContact O-N 3.26Å; F588-Q590 PolarHBondContact O-N 3.08Å; Q590-L592 VanDerWaalsContact C-N 3.3Å; Q590-L592 PolarHBondContact O-N 2.98Å; Q590-A593 PolarHBondContact O-N 3.02Å; Q590-A593 VanDerWaalsContact O-N 3.13Å; Q590-D594 VanDerWaalsContact CG-OD2 3.27Å; Q590-D594 WeakPolarHBondContact CG-OD2 3.28Å; Q590-D594 PolarHBondContact NE2-OD2 2.87Å; Q590-D594 WeakPolarHBondContact O-CB 3.44Å; Q590-D594 VanDerWaalsContact O-CG 3.23Å; Q590-D594 PolarHBondContact O-N 3.29Å
591S90.2Very high88.2Confident18 Ų1860.2 Ų60.213%0.12630%0.3CS..Hα-helixtrans-62.6-36.3179.4-650000112.9M554 K587 F588 N589 H595M554-S591 VanDerWaalsContact CE-CB 3.42Å; K587-S591 WeakPolarHBondContact O-CB 3.45Å; K587-S591 PolarHBondContact O-N 2.78Å; K587-S591 PolarHBondContact O-OG 3.17Å; F588-S591 PolarHBondContact O-N 2.92Å; N589-S591 PolarHBondContact O-N 3.47Å; S591-H595 WeakPolarHBondContact O-CB 2.98Å; S591-H595 PolarHBondContact O-N 3.43Å; S591-H595 PolarHBondContact O-ND1 3.43Å
592L91.2Very high88.2Confident4 Ų463.9 Ų63.92%0.02131%0.314CS..Hα-helixtrans-68.6-35.9175.4-67.3-179.7000112L557 A558 I561 F588 N589 Q590 S596 I604L557-L592 HydrophobicContact CD2-CD2 4.43Å; L557-L592 HydrophobicContact CG-CD2 4.25Å; A558-L592 HydrophobicContact CB-CD2 4.05Å; I561-L592 HydrophobicContact CD1-CD1 4.06Å; I561-L592 HydrophobicContact CD1-CD2 3.69Å; F588-L592 VanDerWaalsContact O-CG 3.3Å; F588-L592 WeakPolarHBondContact O-CG 3.5Å; F588-L592 PolarHBondContact O-N 3.04Å; N589-L592 PolarHBondContact O-N 2.91Å; Q590-L592 VanDerWaalsContact C-N 3.3Å; Q590-L592 PolarHBondContact O-N 2.98Å; L592-S596 WeakPolarHBondContact O-CB 3.5Å; L592-S596 PolarHBondContact O-N 2.77Å; L592-I604 HydrophobicContact CD1-CG1 4.19Å
593A90.4Very high88.3Confident33 Ų3364.8 Ų64.827%0.27332%0.321SS..Hα-helixtrans-70.5-50.717500000112N589 Q590 H595 S596 P601N589-A593 WeakPolarHBondContact O-CB 3.35Å; N589-A593 PolarHBondContact O-N 3.14Å; Q590-A593 PolarHBondContact O-N 3.02Å; Q590-A593 VanDerWaalsContact O-N 3.13Å; A593-H595 VanDerWaalsContact C-N 3.32Å; A593-H595 PolarHBondContact O-N 3.38Å; A593-S596 PolarHBondContact O-N 3.32Å; A593-P601 HydrophobicContact CB-CB 4.3Å; A593-P601 HydrophobicContact CB-CG 4.06Å
594D90.2Very high88.4Confident108 Ų10862.4 Ų62.458%0.57831%0.308SS*.Hα-helixtrans-65.6-32.1-174-69.5-9.2000112.9Q590Q590-D594 VanDerWaalsContact CG-OD2 3.27Å; Q590-D594 WeakPolarHBondContact CG-OD2 3.28Å; Q590-D594 PolarHBondContact NE2-OD2 2.87Å; Q590-D594 WeakPolarHBondContact O-CB 3.44Å; Q590-D594 VanDerWaalsContact O-CG 3.23Å; Q590-D594 PolarHBondContact O-N 3.29Å
595H87.2Confident88.4Confident43 Ų4362.8 Ų62.820%0.19931%0.311CS..THydrogen-bonded Turntrans-986.1-179.1-64.196000113.8R555 A558 S591 A593R555-H595 PolarHBondContact NH2-NE2 3.15Å; A558-H595 HydrophobicContact CB-CB 3.53Å; S591-H595 WeakPolarHBondContact O-CB 2.98Å; S591-H595 PolarHBondContact O-N 3.43Å; S591-H595 PolarHBondContact O-ND1 3.43Å; A593-H595 VanDerWaalsContact C-N 3.32Å; A593-H595 PolarHBondContact O-N 3.38Å
596S85Confident88.6Confident19 Ų1962.8 Ų62.813%0.13331%0.311CS..  trans-88.4135.3170.8-175.90000109.9Q562 L592 A593 S598Q562-S596 PolarHBondContact OE1-OG 3.05Å; L592-S596 WeakPolarHBondContact O-CB 3.5Å; L592-S596 PolarHBondContact O-N 2.77Å; A593-S596 PolarHBondContact O-N 3.32Å; S596-S598 VanDerWaalsContact C-N 3.3Å; S596-S598 WeakPolarHBondContact OG-CB 3.45Å; S596-S598 PolarHBondContact OG-N 3.1Å
597Y80.9Confident88.7Confident218 Ų21860 Ų6086%0.85529%0.294SS*.  trans-91.89.5172.4-52.2-74.9000112.6
598S79.4Confident88.9Confident53 Ų5357.5 Ų57.537%0.37128%0.283SS..SBendtrans-93.6142.8-178.4-178.10000110.8S596 R600S596-S598 VanDerWaalsContact C-N 3.3Å; S596-S598 WeakPolarHBondContact OG-CB 3.45Å; S596-S598 PolarHBondContact OG-N 3.1Å; S598-R600 PolarHBondContact O-N 3.26Å; S598-R600 VanDerWaalsContact O-N 3.08Å; S598-R600 PolarHBondContact OG-N 3.03Å; S598-R600 PolarHBondContact OG-O 3.02Å; S598-R600 VanDerWaalsContact OG-O 3.07Å
599D79.3Confident89.1Confident170 Ų17057.5 Ų57.591%0.90928%0.283SS*.SBendtrans-57.8-23.8172.5-64-33.4000112.7
600R82.1Confident89.3Confident217 Ų21756.1 Ų56.182%0.81928%0.276SS*.SBendtrans-126.695.5173.5-68.1-176.1179.7159.21.3109.1S598S598-R600 PolarHBondContact O-N 3.26Å; S598-R600 VanDerWaalsContact O-N 3.08Å; S598-R600 PolarHBondContact OG-N 3.03Å; S598-R600 PolarHBondContact OG-O 3.02Å; S598-R600 VanDerWaalsContact OG-O 3.07Å
601P85.3Confident89.5Confident49 Ų4954.3 Ų54.332%0.31827%0.266SS..  trans-65.2145.8178.325.6-33.5000111.1A593 C603A593-P601 HydrophobicContact CB-CB 4.3Å; A593-P601 HydrophobicContact CB-CG 4.06Å; P601-C603 PolarHBondContact O-N 3.07Å
602R88.1Confident89.6Confident76 Ų7654.1 Ų54.129%0.28726%0.263SS..  trans-82.7110.5170-69.9-63.8-61.2-95.60.9108.8I561 P566 D567 D605I561-R602 HydrophobicContact CG2-CB 3.86Å; P566-R602 PolarHBondContact O-NH1 3.46Å; P566-R602 PolarHBondContact O-NH2 3.44Å; D567-R602 PolarHBondContact O-NH2 3.09Å; R602-D605 IonicContact NH2-OD2 3.64Å; R602-D605 PolarHBondContact NH2-OD2 2.89Å; R602-D605 VanDerWaalsContact NH2-OD2 3.08Å
603C90.2Very high89.7Confident42 Ų4257.9 Ų57.928%0.28428%0.283SS..  trans-95-175175.3-60.70000110.8P601 D605P601-C603 PolarHBondContact O-N 3.07Å; C603-D605 PolarHBondContact O-N 3.32Å
604I93.2Very high89.8Confident1 Ų159.4 Ų59.41%0.00529%0.289CS..  trans-64.1131.7171.2-65.4162.9000109.1V569 F571 L585 F588 N589 L592 G606 Q631V569-I604 HydrophobicContact CG1-CG1 4.43Å; F571-I604 HydrophobicContact CB-CD1 3.74Å; F571-I604 HydrophobicContact CB-CG1 4.1Å; F571-I604 HydrophobicContact CB-CG2 3.63Å; F571-I604 HydrophobicContact CD2-CD1 3.85Å; F571-I604 HydrophobicContact CG-CD1 4.02Å; L585-I604 HydrophobicContact CD1-CD1 3.73Å; F588-I604 HydrophobicContact CB-CD1 3.94Å; N589-I604 VanDerWaalsContact OD1-CB 3.28Å; N589-I604 WeakPolarHBondContact OD1-CB 3.17Å; N589-I604 WeakPolarHBondContact OD1-CD1 3.2Å; N589-I604 VanDerWaalsContact OD1-CG1 3.28Å; N589-I604 WeakPolarHBondContact OD1-CG1 3.13Å; N589-I604 PolarHBondContact OD1-N 3.04Å; L592-I604 HydrophobicContact CD1-CG1 4.19Å; I604-G606 VanDerWaalsContact CG2-O 3.31Å; I604-G606 WeakPolarHBondContact CG2-O 3.38Å; I604-Q631 WeakPolarHBondContact O-CG 3.45Å; I604-Q631 PolarHBondContact O-NE2 2.94Å
605D93.3Very high89.8Confident22 Ų2254.6 Ų54.612%0.11826%0.264CS..  trans-101.8-17.9-178-65.7-58.1000112.4L568 V569 R602 C603 Q631L568-D605 HydrophobicContact CD1-CB 3.53Å; V569-D605 PolarHBondContact N-OD2 3.2Å; V569-D605 PolarHBondContact O-N 3.25Å; R602-D605 IonicContact NH2-OD2 3.64Å; R602-D605 PolarHBondContact NH2-OD2 2.89Å; R602-D605 VanDerWaalsContact NH2-OD2 3.08Å; C603-D605 PolarHBondContact O-N 3.32Å; D605-Q631 PolarHBondContact O-OE1 2.91Å
606G94.1Very high89.9Confident0 Ų058.9 Ų58.90%029%0.288CS..EExtended strand (participates in β ladder)trans-171.3168.6-17900000113.3V569 L570 F571 I604 P632V569-G606 PolarHBondContact O-N 3.2Å; L570-G606 WeakPolarHBondContact CA-O 3.44Å; F571-G606 PolarHBondContact N-O 2.98Å; I604-G606 VanDerWaalsContact CG2-O 3.31Å; I604-G606 WeakPolarHBondContact CG2-O 3.38Å; G606-P632 WeakPolarHBondContact CA-O 3.41Å
607I95.1Very high90Very high0 Ų060.9 Ų60.90%030%0.297CS..EExtended strand (participates in β ladder)trans-121.7137.2-174.1-53.9-176.4000110.9F571 L585 M625 S629 P632 I633 V634F571-I607 HydrophobicContact CD1-CG2 4.48Å; F571-I607 CarbonylContact O-C 3.55Å; F571-I607 VanDerWaalsContact O-CA 3.31Å; F571-I607 WeakPolarHBondContact O-CA 3.37Å; L585-I607 HydrophobicContact CD1-CD1 4.5Å; L585-I607 HydrophobicContact CD2-CD1 3.77Å; I607-M625 HydrophobicContact CD1-CB 3.73Å; I607-M625 HydrophobicContact CG2-SD 4.02Å; I607-S629 WeakPolarHBondContact CD1-OG 3.45Å; I607-P632 PolarHBondContact N-O 3.36Å; I607-I633 HydrophobicContact CB-CG1 4.22Å; I607-I633 HydrophobicContact CG2-CG1 4.41Å; I607-I633 CarbonylContact O-C 3.5Å; I607-I633 WeakPolarHBondContact O-CA 3.49Å; I607-V634 PolarHBondContact O-N 3.37Å
608V96.7Very high90.4Very high0 Ų055.7 Ų55.70%028%0.279CS..EExtended strand (participates in β ladder)trans-107.9110.9166.3179.90000107.7N456 I460 L570 F571 V572 G573 T610 F635N456-V608 HydrophobicContact CB-CG1 4.17Å; I460-V608 HydrophobicContact CD1-CG2 4.37Å; L570-V608 HydrophobicContact CB-CG2 4.21Å; L570-V608 HydrophobicContact CD1-CG2 3.91Å; L570-V608 HydrophobicContact CG-CG2 4.46Å; F571-V608 PolarHBondContact O-N 2.77Å; V572-V608 WeakPolarHBondContact CA-O 3.46Å; V572-V608 HydrophobicContact CG1-CB 4.42Å; V572-V608 HydrophobicContact CG1-CG1 4.47Å; V572-V608 HydrophobicContact CG2-CB 4.23Å; G573-V608 PolarHBondContact N-O 2.9Å; V608-T610 HydrophobicContact CG1-CG2 4.08Å; V608-F635 WeakPolarHBondContact CA-O 3.43Å; V608-F635 HydrophobicContact CG1-CB 4.27Å; V608-F635 HydrophobicContact CG2-CB 4.4Å; V608-F635 HydrophobicContact CG2-CD2 4.22Å
609L95.6Very high91Very high0 Ų053.2 Ų53.20%026%0.261CS..EExtended strand (participates in β ladder)trans-92.3115.8-179.3-171.665.6000109.9G573 A575 F612 A622 M625 I633 F635 V636 G637G573-L609 CarbonylContact O-C 3.57Å; G573-L609 WeakPolarHBondContact O-CA 3.31Å; A575-L609 HydrophobicContact CB-CD1 4.06Å; A575-L609 HydrophobicContact CB-CD2 4.32Å; A575-L609 HydrophobicContact CB-CG 4.06Å; L609-F612 HydrophobicContact CD2-CD2 3.75Å; L609-F612 HydrophobicContact CD2-CE2 4.01Å; L609-F612 HydrophobicContact CG-CD2 4.4Å; L609-A622 HydrophobicContact CD2-CB 3.77Å; L609-M625 HydrophobicContact CD1-CE 4.13Å; L609-M625 HydrophobicContact CD1-SD 3.86Å; L609-I633 HydrophobicContact CB-CG2 4Å; L609-I633 HydrophobicContact CD2-CD1 4.38Å; L609-F635 PolarHBondContact N-O 2.89Å; L609-V636 CarbonylContact O-C 3.5Å; L609-V636 VanDerWaalsContact O-CA 3.26Å; L609-V636 WeakPolarHBondContact O-CA 3.28Å; L609-G637 PolarHBondContact O-N 3.34Å
610T96.3Very high91.6Very high1 Ų145.1 Ų45.11%0.00622%0.218CC..EExtended strand (participates in β ladder)trans-108.6169.1-172.571.70000112.1V451 N456 V572 G573 E574 A575 V608 F612V451-T610 WeakPolarHBondContact O-CB 3.41Å; V451-T610 WeakPolarHBondContact O-CG2 3.46Å; V451-T610 PolarHBondContact O-OG1 3.02Å; N456-T610 WeakPolarHBondContact ND2-CG2 3.49Å; V572-T610 HydrophobicContact CG1-CG2 3.46Å; V572-T610 VanDerWaalsContact CG1-CG2 3.46Å; G573-T610 PolarHBondContact O-N 3.23Å; G573-T610 PolarHBondContact O-OG1 2.59Å; E574-T610 WeakPolarHBondContact CA-OG1 3.33Å; A575-T610 WeakPolarHBondContact CB-O 3.38Å; A575-T610 PolarHBondContact N-O 2.66Å; V608-T610 HydrophobicContact CG1-CG2 4.08Å; T610-F612 PolarHBondContact O-N 3.14Å
611K95Very high92Very high67 Ų6734.8 Ų34.829%0.29118%0.179SC..  trans56.731.4178.3-51.8-177.4-173.4170.90112.5G450 E574 L576 D613 T614 G637G450-K611 WeakPolarHBondContact O-CE 3.43Å; G450-K611 PolarHBondContact O-NZ 3.49Å; E574-K611 HydrophobicContact CB-CD 4.08Å; E574-K611 HydrophobicContact CB-CG 4.41Å; E574-K611 WeakPolarHBondContact OE2-CE 3.43Å; E574-K611 IonicContact OE2-NZ 2.86Å; E574-K611 PolarHBondContact OE2-NZ 2.98Å; L576-K611 HydrophobicContact CD1-CB 4.49Å; L576-K611 HydrophobicContact CD1-CD 4.06Å; K611-D613 VanDerWaalsContact C-OD1 3.32Å; K611-D613 WeakPolarHBondContact CA-OD1 3.45Å; K611-D613 PolarHBondContact O-N 2.95Å; K611-T614 HydrophobicContact CB-CG2 4.23Å; K611-T614 PolarHBondContact O-N 3.25Å; K611-T614 VanDerWaalsContact O-N 3.08Å; K611-T614 PolarHBondContact O-OG1 3.36Å; K611-G637 PolarHBondContact N-O 3.11Å
612F93.4Very high92.4Very high13 Ų1332.4 Ų32.46%0.05716%0.164CC..G310 helixtrans-67.8-23.2-178.9-162.3-87.6000111.7V287 V289 A575 L609 T610 T614 I615 V619 V636 G637 T638 V653V287-F612 HydrophobicContact CG1-CD1 3.74Å; V287-F612 HydrophobicContact CG1-CE1 3.47Å; V287-F612 VanDerWaalsContact CG1-CE1 3.47Å; V287-F612 HydrophobicContact CG1-CZ 4.28Å; V289-F612 HydrophobicContact CG2-CE1 4.09Å; V289-F612 HydrophobicContact CG2-CZ 4.18Å; A575-F612 HydrophobicContact CB-CD2 4.12Å; L609-F612 HydrophobicContact CD2-CD2 3.75Å; L609-F612 HydrophobicContact CD2-CE2 4.01Å; L609-F612 HydrophobicContact CG-CD2 4.4Å; T610-F612 PolarHBondContact O-N 3.14Å; F612-T614 PolarHBondContact O-N 3.25Å; F612-I615 HydrophobicContact CD2-CD1 3.91Å; F612-I615 HydrophobicContact CE1-CD1 4.45Å; F612-I615 HydrophobicContact CE2-CD1 3.81Å; F612-I615 HydrophobicContact CG-CD1 4.31Å; F612-I615 HydrophobicContact CZ-CD1 4.11Å; F612-I615 WeakPolarHBondContact O-CG1 3.44Å; F612-V619 HydrophobicContact CE1-CG1 4.19Å; F612-V619 HydrophobicContact CE2-CB 4.3Å; F612-V619 HydrophobicContact CE2-CG1 4.09Å; F612-V619 HydrophobicContact CZ-CB 4.07Å; F612-V619 HydrophobicContact CZ-CG1 3.47Å; F612-V619 VanDerWaalsContact CZ-CG1 3.47Å; F612-V636 HydrophobicContact CB-CG1 3.47Å; F612-V636 VanDerWaalsContact CB-CG1 3.47Å; F612-V636 HydrophobicContact CD1-CG1 4.24Å; F612-V636 HydrophobicContact CD2-CG1 3.73Å; F612-V636 HydrophobicContact CG-CG1 3.54Å; F612-G637 PolarHBondContact N-O 3.23Å; F612-T638 HydrophobicContact CB-CG2 4.43Å; F612-V653 HydrophobicContact CZ-CG2 4.49Å
613D92.9Very high92.6Very high83 Ų8328.9 Ų28.944%0.44415%0.151SC..G310 helixtrans-65.1-10.1171.155.3-59.3000114.4K611 G639K611-D613 VanDerWaalsContact C-OD1 3.32Å; K611-D613 WeakPolarHBondContact CA-OD1 3.45Å; K611-D613 PolarHBondContact O-N 2.95Å; D613-G639 PolarHBondContact OD1-N 3.36Å; D613-G639 VanDerWaalsContact OD1-N 3.16Å
614T92.7Very high92.7Very high65 Ų6526.9 Ų26.940%0.39914%0.137SC..G310 helixtrans-107-1.9-173.2680000114.9L576 K611 F612L576-T614 WeakPolarHBondContact CD1-OG1 3.4Å; L576-T614 WeakPolarHBondContact CD2-OG1 3.43Å; L576-T614 WeakPolarHBondContact CG-OG1 3.34Å; K611-T614 HydrophobicContact CB-CG2 4.23Å; K611-T614 PolarHBondContact O-N 3.25Å; K611-T614 VanDerWaalsContact O-N 3.08Å; K611-T614 PolarHBondContact O-OG1 3.36Å; F612-T614 PolarHBondContact O-N 3.25Å
615I90.4Very high92.7Very high8 Ų826.8 Ų26.84%0.04114%0.137CC..SBendtrans-108-5.5-172.353.3148000114.5A575 L576 F612 D617 K618 V619A575-I615 HydrophobicContact CB-CD1 3.99Å; A575-I615 HydrophobicContact CB-CG1 4.2Å; A575-I615 HydrophobicContact CB-CG2 3.88Å; L576-I615 HydrophobicContact CD2-CG2 3.76Å; L576-I615 HydrophobicContact CG-CG2 4.09Å; F612-I615 HydrophobicContact CD2-CD1 3.91Å; F612-I615 HydrophobicContact CE1-CD1 4.45Å; F612-I615 HydrophobicContact CE2-CD1 3.81Å; F612-I615 HydrophobicContact CG-CD1 4.31Å; F612-I615 HydrophobicContact CZ-CD1 4.11Å; F612-I615 WeakPolarHBondContact O-CG1 3.44Å; I615-D617 PolarHBondContact O-N 3.42Å; I615-K618 HydrophobicContact CB-CB 4.33Å; I615-K618 WeakPolarHBondContact CD1-O 3.36Å; I615-K618 VanDerWaalsContact O-CB 3.31Å; I615-K618 WeakPolarHBondContact O-CB 3.39Å; I615-K618 PolarHBondContact O-N 3Å; I615-V619 HydrophobicContact CD1-CB 4.14Å; I615-V619 HydrophobicContact CD1-CG1 3.73Å
616D88.9Confident92.5Very high133 Ų13325.9 Ų25.971%0.71113%0.132SC*.THydrogen-bonded Turntrans50.6-107-172.4-57.5-44.1000112
617D87Confident92.3Very high61 Ų6126.2 Ų26.233%0.32614%0.135SC..THydrogen-bonded Turntrans-98.8-2.7179.666.5-14.9000113.9K374 I615 V619K374-D617 WeakPolarHBondContact CD-O 3.25Å; K374-D617 IonicContact NZ-OD2 3.02Å; K374-D617 PolarHBondContact NZ-OD2 3.28Å; I615-D617 PolarHBondContact O-N 3.42Å; D617-V619 PolarHBondContact O-N 3.29Å
618K90.1Very high92Very high108 Ų10828.9 Ų28.947%0.4715%0.148SC..  trans-80.355.3-178.7-61.2-177.7-179.6175.30112.7K374 N375 I615 G620K374-K618 CarbonylContact O-C 3.35Å; K374-K618 WeakPolarHBondContact O-CA 3.2Å; N375-K618 HydrophobicContact CB-CB 3.97Å; I615-K618 HydrophobicContact CB-CB 4.33Å; I615-K618 WeakPolarHBondContact CD1-O 3.36Å; I615-K618 VanDerWaalsContact O-CB 3.31Å; I615-K618 WeakPolarHBondContact O-CB 3.39Å; I615-K618 PolarHBondContact O-N 3Å; K618-G620 PolarHBondContact O-N 3.47Å
619V91.2Very high91.5Very high1 Ų129.4 Ų29.41%0.00615%0.152CC..THydrogen-bonded Turntrans-79.74.6-172-56.40000114.5V289 F612 I615 D617 A621 A622 V653 A656 L657V289-V619 HydrophobicContact CG1-CG1 4.19Å; V289-V619 HydrophobicContact CG2-CG1 4.15Å; F612-V619 HydrophobicContact CE1-CG1 4.19Å; F612-V619 HydrophobicContact CE2-CB 4.3Å; F612-V619 HydrophobicContact CE2-CG1 4.09Å; F612-V619 HydrophobicContact CZ-CB 4.07Å; F612-V619 HydrophobicContact CZ-CG1 3.47Å; F612-V619 VanDerWaalsContact CZ-CG1 3.47Å; I615-V619 HydrophobicContact CD1-CB 4.14Å; I615-V619 HydrophobicContact CD1-CG1 3.73Å; D617-V619 PolarHBondContact O-N 3.29Å; V619-A621 VanDerWaalsContact C-N 3.25Å; V619-A621 PolarHBondContact O-N 3.08Å; V619-A621 VanDerWaalsContact O-N 3.17Å; V619-A622 WeakPolarHBondContact O-CB 3.29Å; V619-A622 PolarHBondContact O-N 3.37Å; V619-A622 VanDerWaalsContact O-N 3.13Å; V619-V653 HydrophobicContact CB-CG1 4.25Å; V619-V653 HydrophobicContact CG2-CG1 3.8Å; V619-A656 HydrophobicContact CG1-CB 4.48Å; V619-A656 HydrophobicContact CG2-CB 4.1Å; V619-L657 HydrophobicContact CG2-CD1 4.19Å; V619-L657 HydrophobicContact CG2-CD2 3.75Å; V619-L657 HydrophobicContact CG2-CG 3.53Å
620G91.1Very high91.1Very high0 Ų032.9 Ų32.90%017%0.171CC..Hα-helixtrans-65.4-18.1-171.800000116.3K374 N375 V376 K618 A622 I623 S624K374-G620 VanDerWaalsContact O-CA 3.27Å; K374-G620 WeakPolarHBondContact O-CA 3.39Å; K374-G620 PolarHBondContact O-N 3.48Å; N375-G620 CarbonylContact O-C 3.47Å; N375-G620 VanDerWaalsContact O-C 3.23Å; V376-G620 VanDerWaalsContact CG2-CA 3.43Å; K618-G620 PolarHBondContact O-N 3.47Å; G620-A622 PolarHBondContact O-N 3.14Å; G620-I623 PolarHBondContact O-N 3.08Å; G620-S624 PolarHBondContact O-N 3Å; G620-S624 PolarHBondContact O-OG 3.21Å
621A92.2Very high90.8Very high0 Ų034.9 Ų34.90%018%0.18CC..Hα-helixtrans-60-34.8172.400000111.9N375 A575 V577 V619 I623 S624 M625N375-A621 PolarHBondContact O-N 3.36Å; A575-A621 WeakPolarHBondContact O-CB 3.36Å; V577-A621 VanDerWaalsContact O-CB 3.26Å; V577-A621 WeakPolarHBondContact O-CB 3.49Å; V619-A621 VanDerWaalsContact C-N 3.25Å; V619-A621 PolarHBondContact O-N 3.08Å; V619-A621 VanDerWaalsContact O-N 3.17Å; A621-I623 PolarHBondContact O-N 3.5Å; A621-S624 PolarHBondContact O-N 3.26Å; A621-M625 WeakPolarHBondContact O-CG 3.4Å; A621-M625 PolarHBondContact O-N 3.33Å
622A92.8Very high90.6Very high0 Ų032.8 Ų32.80%017%0.173CC..Hα-helixtrans-60.5-46.5177.500000111.8L419 L609 V619 G620 A626 I633L419-A622 HydrophobicContact CD2-CB 4.34Å; L609-A622 HydrophobicContact CD2-CB 3.77Å; V619-A622 WeakPolarHBondContact O-CB 3.29Å; V619-A622 PolarHBondContact O-N 3.37Å; V619-A622 VanDerWaalsContact O-N 3.13Å; G620-A622 PolarHBondContact O-N 3.14Å; A622-A626 WeakPolarHBondContact O-CB 3.4Å; A622-A626 PolarHBondContact O-N 3.3Å; A622-I633 HydrophobicContact CB-CD1 3.64Å
623I92.4Very high90.6Very high1 Ų133 Ų331%0.00518%0.175CC..Hα-helixtrans-64.2-43.6175.6-68.8-168.5000110.8V376 I380 C415 I418 L419 G620 A621 M625 A626 C627 L657V376-I623 HydrophobicContact CG1-CG2 4.5Å; I380-I623 HydrophobicContact CG2-CG2 4.11Å; C415-I623 HydrophobicContact CB-CD1 3.8Å; I418-I623 HydrophobicContact CG2-CG2 4.41Å; L419-I623 HydrophobicContact CD1-CG1 4.18Å; L419-I623 HydrophobicContact CD2-CG1 3.94Å; L419-I623 HydrophobicContact CG-CG1 4.12Å; G620-I623 PolarHBondContact O-N 3.08Å; A621-I623 PolarHBondContact O-N 3.5Å; I623-M625 VanDerWaalsContact C-N 3.33Å; I623-M625 PolarHBondContact O-N 2.7Å; I623-A626 PolarHBondContact O-N 2.83Å; I623-C627 WeakPolarHBondContact O-CB 3.33Å; I623-C627 PolarHBondContact O-N 3.24Å; I623-L657 HydrophobicContact CD1-CD1 3.13Å; I623-L657 HydrophobicContact CD1-CG 4.49Å; I623-L657 HydrophobicContact CG1-CD1 3.9Å
624S92.9Very high90.7Very high0 Ų029.9 Ų29.90%016%0.159CC..Hα-helixtrans-60.2-45-176.9-54.80000111.5A377 G620 A621 I628A377-S624 PolarHBondContact N-OG 2.74Å; G620-S624 PolarHBondContact O-N 3Å; G620-S624 PolarHBondContact O-OG 3.21Å; A621-S624 PolarHBondContact O-N 3.26Å; S624-I628 VanDerWaalsContact O-CG2 3.28Å; S624-I628 WeakPolarHBondContact O-CG2 3.42Å; S624-I628 PolarHBondContact O-N 3.48Å
625M91.8Very high90.8Very high0 Ų027 Ų270%014%0.141CC..Hα-helixtrans-70.7-42.5178.3-70.7-172.9-168.900112.9A581 L585 I607 L609 A621 I623 S629A581-M625 HydrophobicContact CB-CE 3.61Å; A581-M625 HydrophobicContact CB-CG 3.86Å; L585-M625 HydrophobicContact CD2-CB 4.2Å; L585-M625 VanDerWaalsContact CD2-O 3.26Å; L585-M625 WeakPolarHBondContact CD2-O 3.27Å; I607-M625 HydrophobicContact CD1-CB 3.73Å; I607-M625 HydrophobicContact CG2-SD 4.02Å; L609-M625 HydrophobicContact CD1-CE 4.13Å; L609-M625 HydrophobicContact CD1-SD 3.86Å; A621-M625 WeakPolarHBondContact O-CG 3.4Å; A621-M625 PolarHBondContact O-N 3.33Å; I623-M625 VanDerWaalsContact C-N 3.33Å; I623-M625 PolarHBondContact O-N 2.7Å; M625-S629 PolarHBondContact O-N 2.95Å; M625-S629 PolarHBondContact O-OG 2.71Å
626A90.5Very high91.1Very high2 Ų226.7 Ų26.72%0.01714%0.139CC..Hα-helixtrans-65.4-45178.200000111.9I418 L419 A622 I623 I628 N630I418-A626 HydrophobicContact CG2-CB 4.18Å; L419-A626 HydrophobicContact CD2-CB 4.11Å; A622-A626 WeakPolarHBondContact O-CB 3.4Å; A622-A626 PolarHBondContact O-N 3.3Å; I623-A626 PolarHBondContact O-N 2.83Å; A626-I628 PolarHBondContact O-N 2.89Å; A626-N630 WeakPolarHBondContact O-CA 3.49Å; A626-N630 PolarHBondContact O-N 3.04Å
627C89.2Confident91.4Very high8 Ų820.4 Ų20.45%0.05411%0.105CC..Hα-helixtrans-64.5-36.4-177.6-173.30000113.4I380 I418 I623 N630I380-C627 HydrophobicContact CD1-CB 4.29Å; I380-C627 HydrophobicContact CG2-CB 3.9Å; I418-C627 HydrophobicContact CG2-CB 3.73Å; I623-C627 WeakPolarHBondContact O-CB 3.33Å; I623-C627 PolarHBondContact O-N 3.24Å; C627-N630 PolarHBondContact O-OD1 3.45Å
628I89Confident91.8Very high55 Ų5519.1 Ų19.128%0.28210%0.1SC..Hα-helixtrans-84.9-33.8-176.4-165.565.1000112.7V582 L585 V586 S624 A626V582-I628 HydrophobicContact CG1-CB 4.47Å; V582-I628 HydrophobicContact CG1-CD1 4.07Å; V582-I628 HydrophobicContact CG1-CG1 3.91Å; L585-I628 HydrophobicContact CB-CG2 4.08Å; L585-I628 HydrophobicContact CD2-CG2 3.58Å; L585-I628 HydrophobicContact CG-CG2 4.3Å; V586-I628 HydrophobicContact CG2-CD1 3.85Å; V586-I628 HydrophobicContact CG2-CG1 3.45Å; V586-I628 VanDerWaalsContact CG2-CG1 3.45Å; S624-I628 VanDerWaalsContact O-CG2 3.28Å; S624-I628 WeakPolarHBondContact O-CG2 3.42Å; S624-I628 PolarHBondContact O-N 3.48Å; A626-I628 PolarHBondContact O-N 2.89Å
629S86.6Confident92Very high11 Ų1114.8 Ų14.88%0.0779%0.086CC..Hα-helixtrans-87.8-24179.558.60000114.3L585 I607 M625 Q631L585-S629 VanDerWaalsContact CD2-CB 3.41Å; I607-S629 WeakPolarHBondContact CD1-OG 3.45Å; M625-S629 PolarHBondContact O-N 2.95Å; M625-S629 PolarHBondContact O-OG 2.71Å; S629-Q631 PolarHBondContact O-N 2.86Å; S629-Q631 PolarHBondContact OG-N 3.18Å; S629-Q631 VanDerWaalsContact OG-N 3.15Å
630N86.5Confident92.1Very high74 Ų7423 Ų2340%0.39612%0.124SC..  trans52.828.8-163.8-61.9-31.1000112.8G422 A626 C627G422-N630 VanDerWaalsContact CA-O 3.29Å; G422-N630 WeakPolarHBondContact CA-O 3.39Å; A626-N630 WeakPolarHBondContact O-CA 3.49Å; A626-N630 PolarHBondContact O-N 3.04Å; C627-N630 PolarHBondContact O-OD1 3.45Å
631Q89.6Confident92.2Very high43 Ų4326.1 Ų26.120%0.20114%0.144CC..  trans-113.2148.7177.2-58.2-56.1-2500110.5I604 D605 S629I604-Q631 WeakPolarHBondContact O-CG 3.45Å; I604-Q631 PolarHBondContact O-NE2 2.94Å; D605-Q631 PolarHBondContact O-OE1 2.91Å; S629-Q631 PolarHBondContact O-N 2.86Å; S629-Q631 PolarHBondContact OG-N 3.18Å; S629-Q631 VanDerWaalsContact OG-N 3.15Å
632P92.2Very high92.3Very high23 Ų2326.8 Ų26.815%0.14915%0.146CC..  trans-71.4150.2-179.633.2-40.2000111.9R423 V425 G606 I607 V634R423-P632 VanDerWaalsContact O-CG 3.28Å; R423-P632 WeakPolarHBondContact O-CG 3.35Å; V425-P632 HydrophobicContact CB-CG 4.28Å; V425-P632 HydrophobicContact CG2-CG 3.77Å; G606-P632 WeakPolarHBondContact CA-O 3.41Å; I607-P632 PolarHBondContact N-O 3.36Å; P632-V634 HydrophobicContact CG-CG2 4.21Å; P632-V634 PolarHBondContact O-N 3.3Å
633I93.5Very high92.2Very high17 Ų1728.4 Ų28.49%0.08716%0.157CC..EExtended strand (participates in β ladder)trans-79.6105.7161.1-63.1168.2000107.2I607 L609 A622 V636 L648I607-I633 HydrophobicContact CB-CG1 4.22Å; I607-I633 HydrophobicContact CG2-CG1 4.41Å; I607-I633 CarbonylContact O-C 3.5Å; I607-I633 WeakPolarHBondContact O-CA 3.49Å; L609-I633 HydrophobicContact CB-CG2 4Å; L609-I633 HydrophobicContact CD2-CD1 4.38Å; A622-I633 HydrophobicContact CB-CD1 3.64Å; I633-V636 HydrophobicContact CG2-CG2 3.95Å; I633-L648 HydrophobicContact CB-CB 4.5Å; I633-L648 HydrophobicContact CB-CD2 4.13Å; I633-L648 HydrophobicContact CD1-CD1 4.45Å; I633-L648 HydrophobicContact CD1-CD2 3.9Å; I633-L648 HydrophobicContact CG2-CB 4.29Å; I633-L648 HydrophobicContact CG2-CD1 4.46Å
634V94.2Very high92.3Very high18 Ų1830.1 Ų30.111%0.10917%0.167CC..EExtended strand (participates in β ladder)trans-78.2-42-174.4-173.40000110.9V425 V427 L570 I607 P632V425-V634 HydrophobicContact CB-CG2 4.17Å; V425-V634 HydrophobicContact CG1-CG1 4.29Å; V425-V634 HydrophobicContact CG1-CG2 4.14Å; V427-V634 HydrophobicContact CG2-CG1 3.97Å; L570-V634 HydrophobicContact CD2-CB 4.31Å; L570-V634 HydrophobicContact CD2-CG2 3.87Å; I607-V634 PolarHBondContact O-N 3.37Å; P632-V634 HydrophobicContact CG-CG2 4.21Å; P632-V634 PolarHBondContact O-N 3.3Å
635F95.7Very high92.4Very high5 Ų530.1 Ų30.12%0.02217%0.167CC..EExtended strand (participates in β ladder)trans-139150.1179.9-60.3-71.3000111.6L284 V427 I460 W463 V608 L609 L645L284-F635 HydrophobicContact CD1-CD1 3.74Å; L284-F635 HydrophobicContact CD1-CE1 3.58Å; V427-F635 HydrophobicContact CG2-CE2 4.2Å; V427-F635 HydrophobicContact CG2-CZ 4.16Å; I460-F635 HydrophobicContact CD1-CD2 3.65Å; I460-F635 HydrophobicContact CD1-CE2 3.92Å; I460-F635 HydrophobicContact CD1-CG 4.36Å; I460-F635 HydrophobicContact CG1-CD2 4.01Å; I460-F635 HydrophobicContact CG1-CE2 4.07Å; I460-F635 HydrophobicContact CG1-CG 4.43Å; W463-F635 HydrophobicContact CD2-CE1 4.5Å; W463-F635 HydrophobicContact CE3-CE1 4.14Å; W463-F635 AromaticContact CE3-CZ 3.94Å; W463-F635 HydrophobicContact CE3-CZ 3.94Å; W463-F635 HydrophobicContact CH2-CE1 4.01Å; W463-F635 AromaticContact CH2-CZ 3.78Å; W463-F635 HydrophobicContact CH2-CZ 3.78Å; W463-F635 HydrophobicContact CZ2-CE1 4.38Å; W463-F635 AromaticContact CZ3-CE1 3.91Å; W463-F635 HydrophobicContact CZ3-CE1 3.91Å; W463-F635 AromaticContact CZ3-CZ 3.43Å; W463-F635 HydrophobicContact CZ3-CZ 3.43Å; W463-F635 VanDerWaalsContact CZ3-CZ 3.43Å; V608-F635 WeakPolarHBondContact CA-O 3.43Å; V608-F635 HydrophobicContact CG1-CB 4.27Å; V608-F635 HydrophobicContact CG2-CB 4.4Å; V608-F635 HydrophobicContact CG2-CD2 4.22Å; L609-F635 PolarHBondContact N-O 2.89Å; F635-L645 HydrophobicContact CB-CD1 3.8Å; F635-L645 HydrophobicContact CB-CG 4.44Å; F635-L645 HydrophobicContact CD1-CD1 4.31Å; F635-L645 HydrophobicContact CD1-CD2 4.01Å; F635-L645 HydrophobicContact CD1-CG 4.1Å; F635-L645 HydrophobicContact CE1-CD2 4.34Å; F635-L645 HydrophobicContact CG-CD1 4.19Å; F635-L645 HydrophobicContact CG-CD2 4.5Å; F635-L645 HydrophobicContact CG-CG 4.48Å
636V96Very high92.5Very high0 Ų034 Ų340%018%0.181CC..EExtended strand (participates in β ladder)trans-120.2122.3173-171.90000109.5V287 L609 F612 I633 T638 R646 L648V287-V636 HydrophobicContact CG2-CB 3.77Å; V287-V636 HydrophobicContact CG2-CG1 3.84Å; V287-V636 HydrophobicContact CG2-CG2 4.24Å; L609-V636 CarbonylContact O-C 3.5Å; L609-V636 VanDerWaalsContact O-CA 3.26Å; L609-V636 WeakPolarHBondContact O-CA 3.28Å; F612-V636 HydrophobicContact CB-CG1 3.47Å; F612-V636 VanDerWaalsContact CB-CG1 3.47Å; F612-V636 HydrophobicContact CD1-CG1 4.24Å; F612-V636 HydrophobicContact CD2-CG1 3.73Å; F612-V636 HydrophobicContact CG-CG1 3.54Å; I633-V636 HydrophobicContact CG2-CG2 3.95Å; V636-T638 HydrophobicContact CG1-CG2 4.2Å; V636-R646 PolarHBondContact N-O 2.97Å; V636-R646 PolarHBondContact O-N 2.92Å; V636-L648 HydrophobicContact CG2-CB 3.92Å; V636-L648 HydrophobicContact CG2-CD1 3.73Å; V636-L648 HydrophobicContact CG2-CG 4.49Å
637G95.9Very high92.5Very high1 Ų137.9 Ų37.91%0.0120%0.199CC..EExtended strand (participates in β ladder)trans-90115.3175.100000111.1L609 K611 F612 D644L609-G637 PolarHBondContact O-N 3.34Å; K611-G637 PolarHBondContact N-O 3.11Å; F612-G637 PolarHBondContact N-O 3.23Å; G637-D644 WeakPolarHBondContact CA-O 3.4Å
638T94.7Very high92.5Very high34 Ų3438.6 Ų38.621%0.20920%0.202CC..  trans-110.331.1-173.160.80000113.1V287 F612 V636 D644 R646V287-T638 HydrophobicContact CG2-CG2 3.82Å; F612-T638 HydrophobicContact CB-CG2 4.43Å; V636-T638 HydrophobicContact CG1-CG2 4.2Å; T638-D644 PolarHBondContact N-O 3.41Å; T638-R646 HydrophobicContact CG2-CB 4.24Å; T638-R646 HydrophobicContact CG2-CG 3.77Å
639G93.9Very high92.6Very high18 Ų1836.4 Ų36.419%0.18619%0.192CC..SBendtrans155-163.4-174.900000113.1K459 D613 D644K459-G639 WeakPolarHBondContact CE-O 3.18Å; K459-G639 PolarHBondContact NZ-O 3.25Å; D613-G639 PolarHBondContact OD1-N 3.36Å; D613-G639 VanDerWaalsContact OD1-N 3.16Å; G639-D644 WeakPolarHBondContact CA-OD2 3.17Å
640Q93.3Very high92.7Very high172 Ų17237.3 Ų37.380%0.80420%0.197SC*.SBendtrans-112.5-12.3-173.2-61.1-17420.300114D644Q640-D644 PolarHBondContact N-OD2 2.9Å
641T93.1Very high92.9Very high67 Ų6739.8 Ų39.841%0.41121%0.21SC..SBendtrans-85.8168.5179.675.30000111.4K459 S643 D644K459-T641 WeakPolarHBondContact CD-O 3.41Å; K459-T641 WeakPolarHBondContact CE-O 3.29Å; T641-S643 VanDerWaalsContact C-N 3.32Å; T641-S643 PolarHBondContact O-N 3.28Å; T641-S643 PolarHBondContact OG1-OG 3.21Å; T641-S643 VanDerWaalsContact OG1-OG 3.06Å; T641-D644 WeakPolarHBondContact CA-OD2 3.32Å; T641-D644 WeakPolarHBondContact CB-OD2 3.24Å; T641-D644 PolarHBondContact N-OD2 2.81Å; T641-D644 PolarHBondContact O-N 2.71Å; T641-D644 PolarHBondContact OG1-OD1 2.66Å; T641-D644 VanDerWaalsContact OG1-OD1 3.11Å; T641-D644 PolarHBondContact OG1-OD2 3.35Å
642Y93.9Very high92.8Very high14 Ų1438.5 Ų38.56%0.05521%0.207CC..THydrogen-bonded Turntrans-70.4-26.9-178.1-57.9-45.6000114L273 L276 M280 A458 F462 H490 K493 L494 I497 D644L273-Y642 HydrophobicContact CD2-CE2 4.4Å; L276-Y642 HydrophobicContact CD1-CD2 4.08Å; M280-Y642 WeakPolarHBondContact CE-O 3.44Å; A458-Y642 HydrophobicContact CB-CD1 4.39Å; A458-Y642 HydrophobicContact CB-CE1 3.77Å; F462-Y642 HydrophobicContact CB-CG 4.38Å; F462-Y642 HydrophobicContact CD1-CG 4.33Å; F462-Y642 HydrophobicContact CG-CG 4.38Å; H490-Y642 WeakPolarHBondContact CA-OH 3.4Å; H490-Y642 AromaticContact CE1-CE1 3.98Å; H490-Y642 AromaticContact ND1-CE1 3.43Å; H490-Y642 WeakPolarHBondContact ND1-CE1 3.49Å; H490-Y642 AromaticContact ND1-CZ 3.56Å; H490-Y642 PolarHBondContact ND1-OH 3.43Å; K493-Y642 HydrophobicContact CB-CE2 4.16Å; L494-Y642 HydrophobicContact CD2-CD2 4.08Å; L494-Y642 HydrophobicContact CD2-CE2 3.87Å; L494-Y642 HydrophobicContact CG-CE2 4.4Å; I497-Y642 HydrophobicContact CD1-CD2 3.9Å; I497-Y642 HydrophobicContact CD1-CE2 4.02Å; Y642-D644 VanDerWaalsContact C-N 3.27Å; Y642-D644 PolarHBondContact O-N 3.18Å
643S92.1Very high92.8Very high33 Ų3337.4 Ų37.423%0.23120%0.2CC..THydrogen-bonded Turntrans-75.9-12.317547.60000113.6T641 L645T641-S643 VanDerWaalsContact C-N 3.32Å; T641-S643 PolarHBondContact O-N 3.28Å; T641-S643 PolarHBondContact OG1-OG 3.21Å; T641-S643 VanDerWaalsContact OG1-OG 3.06Å; S643-L645 PolarHBondContact O-N 3.12Å
644D94.3Very high92.7Very high37 Ų3737 Ų3720%0.19820%0.198CC..  trans-83.750.1-176.3-56.8-28.8000111.9K459 G637 T638 G639 Q640 T641 Y642K459-D644 WeakPolarHBondContact CD-O 3.48Å; K459-D644 PolarHBondContact NZ-O 3.04Å; G637-D644 WeakPolarHBondContact CA-O 3.4Å; T638-D644 PolarHBondContact N-O 3.41Å; G639-D644 WeakPolarHBondContact CA-OD2 3.17Å; Q640-D644 PolarHBondContact N-OD2 2.9Å; T641-D644 WeakPolarHBondContact CA-OD2 3.32Å; T641-D644 WeakPolarHBondContact CB-OD2 3.24Å; T641-D644 PolarHBondContact N-OD2 2.81Å; T641-D644 PolarHBondContact O-N 2.71Å; T641-D644 PolarHBondContact OG1-OD1 2.66Å; T641-D644 VanDerWaalsContact OG1-OD1 3.11Å; T641-D644 PolarHBondContact OG1-OD2 3.35Å; Y642-D644 VanDerWaalsContact C-N 3.27Å; Y642-D644 PolarHBondContact O-N 3.18Å
645L94.9Very high92.5Very high1 Ų142.7 Ų42.71%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-127.1126176.5-168.473.6000108.4M280 L284 K459 I460 W463 F635 S643M280-L645 HydrophobicContact SD-CB 4.43Å; L284-L645 HydrophobicContact CD1-CD2 4.35Å; K459-L645 HydrophobicContact CB-CB 4.18Å; K459-L645 HydrophobicContact CB-CD1 4.24Å; K459-L645 HydrophobicContact CB-CD2 4.28Å; K459-L645 HydrophobicContact CB-CG 4.48Å; K459-L645 HydrophobicContact CD-CB 4.27Å; K459-L645 HydrophobicContact CD-CD1 4.35Å; I460-L645 HydrophobicContact CG1-CD1 4.28Å; I460-L645 HydrophobicContact CG1-CD2 3.81Å; W463-L645 HydrophobicContact CB-CD2 4.15Å; F635-L645 HydrophobicContact CB-CD1 3.8Å; F635-L645 HydrophobicContact CB-CG 4.44Å; F635-L645 HydrophobicContact CD1-CD1 4.31Å; F635-L645 HydrophobicContact CD1-CD2 4.01Å; F635-L645 HydrophobicContact CD1-CG 4.1Å; F635-L645 HydrophobicContact CE1-CD2 4.34Å; F635-L645 HydrophobicContact CG-CD1 4.19Å; F635-L645 HydrophobicContact CG-CD2 4.5Å; F635-L645 HydrophobicContact CG-CG 4.48Å; S643-L645 PolarHBondContact O-N 3.12Å
646R93.4Very high92.3Very high80 Ų8042.7 Ų42.730%0.30222%0.222SC..EExtended strand (participates in β ladder)trans-137.4165.9-171.9-60.3-62.4-170.5-176.218.5111.1D285 V287 V636 T638D285-R646 WeakPolarHBondContact O-CA 3.27Å; D285-R646 WeakPolarHBondContact O-CB 3.25Å; D285-R646 WeakPolarHBondContact O-CD 3.39Å; D285-R646 IonicContact OD2-CZ 3.54Å; D285-R646 IonicContact OD2-NH1 3.02Å; D285-R646 PolarHBondContact OD2-NH1 3.06Å; D285-R646 IonicContact OD2-NH2 3.71Å; D285-R646 PolarHBondContact OD2-NH2 3.25Å; V287-R646 HydrophobicContact CG2-CB 3.29Å; V287-R646 HydrophobicContact CG2-CG 3.93Å; V636-R646 PolarHBondContact N-O 2.97Å; V636-R646 PolarHBondContact O-N 2.92Å; T638-R646 HydrophobicContact CG2-CB 4.24Å; T638-R646 HydrophobicContact CG2-CG 3.77Å
647Q91.5Very high92Very high84 Ų8442.7 Ų42.739%0.39322%0.222SC..BIsolated β-bridgetrans-92.9152.7167.2-73.8-179.812.400111.2L284 D285 E286 V287 S649L284-Q647 HydrophobicContact CB-CG 3.94Å; L284-Q647 HydrophobicContact CD1-CG 4.3Å; D285-Q647 PolarHBondContact O-N 2.91Å; E286-Q647 WeakPolarHBondContact CA-O 3.46Å; V287-Q647 WeakPolarHBondContact CG2-O 3.35Å; V287-Q647 PolarHBondContact N-O 2.93Å; Q647-S649 PolarHBondContact O-N 3.49Å
648L89.2Confident91.6Very high24 Ų2442.8 Ų42.813%0.12622%0.223CC..  trans-74.8116.8178.6-170.582.5000110.5L419 I633 V636 V650 V653L419-L648 HydrophobicContact CD2-CD2 4.12Å; I633-L648 HydrophobicContact CB-CB 4.5Å; I633-L648 HydrophobicContact CB-CD2 4.13Å; I633-L648 HydrophobicContact CD1-CD1 4.45Å; I633-L648 HydrophobicContact CD1-CD2 3.9Å; I633-L648 HydrophobicContact CG2-CB 4.29Å; I633-L648 HydrophobicContact CG2-CD1 4.46Å; V636-L648 HydrophobicContact CG2-CB 3.92Å; V636-L648 HydrophobicContact CG2-CD1 3.73Å; V636-L648 HydrophobicContact CG2-CG 4.49Å; L648-V650 PolarHBondContact O-N 3.44Å; L648-V653 HydrophobicContact CD1-CG2 3.74Å; L648-V653 HydrophobicContact CG-CG2 4.17Å
649S89.2Confident91Very high8 Ų843.7 Ų43.76%0.05622%0.224CC..  trans-80.3107.4167-164.60000110.1E286 V287 Q647 N651 A652 V653E286-S649 WeakPolarHBondContact OE2-CB 3.49Å; E286-S649 PolarHBondContact OE2-OG 2.9Å; V287-S649 VanDerWaalsContact O-CB 3.3Å; V287-S649 WeakPolarHBondContact O-CB 3.25Å; Q647-S649 PolarHBondContact O-N 3.49Å; S649-N651 VanDerWaalsContact C-N 3.28Å; S649-N651 PolarHBondContact O-N 2.84Å; S649-A652 PolarHBondContact O-N 3.43Å; S649-V653 VanDerWaalsContact O-CG2 3.29Å; S649-V653 WeakPolarHBondContact O-CG2 3Å; S649-V653 PolarHBondContact O-N 3.44Å
650V90.2Very high90.8Very high31 Ų3145 Ų4519%0.18823%0.226CC..Hα-helixtrans-58.5-44.4178.2176.70000110.6L419 V420 L648 A652 V653 V654L419-V650 HydrophobicContact CB-CG1 3.96Å; L419-V650 HydrophobicContact CB-CG2 4.02Å; L419-V650 HydrophobicContact CD1-CG1 4.22Å; V420-V650 HydrophobicContact CG2-CB 4.43Å; V420-V650 HydrophobicContact CG2-CG1 4.15Å; V420-V650 HydrophobicContact CG2-CG2 3.84Å; L648-V650 PolarHBondContact O-N 3.44Å; V650-A652 PolarHBondContact O-N 3.2Å; V650-V653 PolarHBondContact O-N 3.25Å; V650-V654 HydrophobicContact CG1-CG2 4.26Å; V650-V654 WeakPolarHBondContact O-CB 3.46Å; V650-V654 VanDerWaalsContact O-CG2 3.25Å; V650-V654 WeakPolarHBondContact O-CG2 3.48Å; V650-V654 PolarHBondContact O-N 2.86Å
651N89.9Confident90.7Very high125 Ų12538.3 Ų38.367%0.66820%0.195SC*.Hα-helixtrans-64.3-42.4-179.1-68.1-27.1000112S649 K655S649-N651 VanDerWaalsContact C-N 3.28Å; S649-N651 PolarHBondContact O-N 2.84Å; N651-K655 VanDerWaalsContact O-CB 3.25Å; N651-K655 WeakPolarHBondContact O-CB 3.48Å; N651-K655 PolarHBondContact O-N 2.94Å
652A88.8Confident90.6Very high17 Ų1736.7 Ų36.714%0.1418%0.183CC..Hα-helixtrans-67.1-41.4179.500000111.7V289 S649 V650 K655 A656V289-A652 HydrophobicContact CG2-CB 4.25Å; S649-A652 PolarHBondContact O-N 3.43Å; V650-A652 PolarHBondContact O-N 3.2Å; A652-K655 PolarHBondContact O-N 2.72Å; A652-A656 WeakPolarHBondContact O-CB 3.33Å; A652-A656 PolarHBondContact O-N 3.11Å
653V91.1Very high90.4Very high0 Ų038.1 Ų38.10%019%0.191CC..Hα-helixtrans-64.3-47.6177.8172.60000110.8L419 F612 V619 L648 S649 V650 K655 A656 L657L419-V653 HydrophobicContact CD1-CB 4.11Å; L419-V653 HydrophobicContact CD1-CG1 3.67Å; F612-V653 HydrophobicContact CZ-CG2 4.49Å; V619-V653 HydrophobicContact CB-CG1 4.25Å; V619-V653 HydrophobicContact CG2-CG1 3.8Å; L648-V653 HydrophobicContact CD1-CG2 3.74Å; L648-V653 HydrophobicContact CG-CG2 4.17Å; S649-V653 VanDerWaalsContact O-CG2 3.29Å; S649-V653 WeakPolarHBondContact O-CG2 3Å; S649-V653 PolarHBondContact O-N 3.44Å; V650-V653 PolarHBondContact O-N 3.25Å; V653-K655 PolarHBondContact O-N 3.04Å; V653-A656 PolarHBondContact O-N 2.64Å; V653-L657 HydrophobicContact CG1-CD1 4.01Å; V653-L657 WeakPolarHBondContact O-CD1 3.45Å; V653-L657 VanDerWaalsContact O-CG 3.31Å; V653-L657 WeakPolarHBondContact O-CG 3.22Å; V653-L657 PolarHBondContact O-N 2.99Å
654V91.7Very high90.3Very high8 Ų838.4 Ų38.45%0.04819%0.188CC..Hα-helixtrans-63-43.1178.6173.40000110.9E412 C415 L419 V650 A656 L657 M658E412-V654 HydrophobicContact CB-CG1 3.89Å; E412-V654 HydrophobicContact CG-CG1 3.85Å; C415-V654 HydrophobicContact CB-CG2 4.06Å; L419-V654 HydrophobicContact CD1-CG2 4.01Å; V650-V654 HydrophobicContact CG1-CG2 4.26Å; V650-V654 WeakPolarHBondContact O-CB 3.46Å; V650-V654 VanDerWaalsContact O-CG2 3.25Å; V650-V654 WeakPolarHBondContact O-CG2 3.48Å; V650-V654 PolarHBondContact O-N 2.86Å; V654-A656 VanDerWaalsContact C-N 3.34Å; V654-A656 PolarHBondContact O-N 3.44Å; V654-L657 PolarHBondContact O-N 3.42Å; V654-M658 WeakPolarHBondContact O-CG 3.29Å; V654-M658 PolarHBondContact O-N 3.04Å
655K90.4Very high90Very high137 Ų13738.5 Ų38.560%0.59619%0.188SC*.Hα-helixtrans-61-42.2175.7-170.3176.9-175.8-179.40111.9N651 A652 V653 L657 M658 K659N651-K655 VanDerWaalsContact O-CB 3.25Å; N651-K655 WeakPolarHBondContact O-CB 3.48Å; N651-K655 PolarHBondContact O-N 2.94Å; A652-K655 PolarHBondContact O-N 2.72Å; V653-K655 PolarHBondContact O-N 3.04Å; K655-L657 VanDerWaalsContact C-N 3.31Å; K655-L657 PolarHBondContact O-N 3.43Å; K655-M658 PolarHBondContact O-N 3.3Å; K655-K659 WeakPolarHBondContact O-CG 3.47Å; K655-K659 PolarHBondContact O-N 3.48Å; K655-K659 VanDerWaalsContact O-N 3.08Å
656A90.4Very high89.6Confident5 Ų541.1 Ų41.14%0.04120%0.201CC..Hα-helixtrans-67.1-29.6178.900000113.7V289 K374 V619 A652 V653 V654V289-A656 HydrophobicContact CB-CB 3.93Å; V289-A656 HydrophobicContact CG1-CB 3.64Å; V289-A656 HydrophobicContact CG2-CB 4.17Å; K374-A656 PolarHBondContact NZ-O 3.46Å; K374-A656 VanDerWaalsContact NZ-O 3.15Å; V619-A656 HydrophobicContact CG1-CB 4.48Å; V619-A656 HydrophobicContact CG2-CB 4.1Å; A652-A656 WeakPolarHBondContact O-CB 3.33Å; A652-A656 PolarHBondContact O-N 3.11Å; V653-A656 PolarHBondContact O-N 2.64Å; V654-A656 VanDerWaalsContact C-N 3.34Å; V654-A656 PolarHBondContact O-N 3.44Å
657L89.4Confident89.4Confident0 Ų038.2 Ų38.20%019%0.193CC..Hα-helixtrans-72.9-28.9174.8-72.5161.7000113.3K374 V376 V619 I623 V653 V654 K655K374-L657 HydrophobicContact CB-CD2 3.74Å; K374-L657 HydrophobicContact CG-CD2 4.46Å; V376-L657 HydrophobicContact CG2-CD2 4.05Å; V619-L657 HydrophobicContact CG2-CD1 4.19Å; V619-L657 HydrophobicContact CG2-CD2 3.75Å; V619-L657 HydrophobicContact CG2-CG 3.53Å; I623-L657 HydrophobicContact CD1-CD1 3.13Å; I623-L657 HydrophobicContact CD1-CG 4.49Å; I623-L657 HydrophobicContact CG1-CD1 3.9Å; V653-L657 HydrophobicContact CG1-CD1 4.01Å; V653-L657 WeakPolarHBondContact O-CD1 3.45Å; V653-L657 VanDerWaalsContact O-CG 3.31Å; V653-L657 WeakPolarHBondContact O-CG 3.22Å; V653-L657 PolarHBondContact O-N 2.99Å; V654-L657 PolarHBondContact O-N 3.42Å; K655-L657 VanDerWaalsContact C-N 3.31Å; K655-L657 PolarHBondContact O-N 3.43Å
658M87.9Confident89.2Confident4 Ų434.3 Ų34.32%0.0218%0.176CC..Hα-helixtrans-94.1-19.8-176.8-61-57.8170.100114.1R370 R408 L411 E412 V654 K655R370-M658 PolarHBondContact NE-O 3.38Å; R408-M658 HydrophobicContact CG-SD 4.46Å; L411-M658 HydrophobicContact CB-CE 4.1Å; L411-M658 HydrophobicContact CD2-CE 3.6Å; L411-M658 HydrophobicContact CD2-SD 3.96Å; L411-M658 HydrophobicContact CG-CE 3.5Å; L411-M658 VanDerWaalsContact CG-CE 3.5Å; L411-M658 HydrophobicContact CG-SD 4.46Å; E412-M658 HydrophobicContact CB-CE 4.39Å; E412-M658 HydrophobicContact CG-CE 3.65Å; E412-M658 HydrophobicContact CG-CG 3.5Å; E412-M658 VanDerWaalsContact CG-CG 3.5Å; E412-M658 HydrophobicContact CG-SD 4.05Å; E412-M658 WeakPolarHBondContact OE1-CG 3.35Å; V654-M658 WeakPolarHBondContact O-CG 3.29Å; V654-M658 PolarHBondContact O-N 3.04Å; K655-M658 PolarHBondContact O-N 3.3Å
659K82Confident89.2Confident53 Ų5335.3 Ų35.323%0.2318%0.181CC..  trans-69.70164.8-73-171.8172.2-159.60108.8S291 V296 R370 K374 K655S291-K659 PolarHBondContact OG-NZ 3.44Å; V296-K659 HydrophobicContact CG2-CG 4.38Å; R370-K659 PolarHBondContact NE-O 3.49Å; R370-K659 PolarHBondContact NH2-O 3.17Å; K374-K659 WeakPolarHBondContact CE-OXT 3.49Å; K374-K659 PolarHBondContact NZ-OXT 2.9Å; K655-K659 WeakPolarHBondContact O-CG 3.47Å; K655-K659 PolarHBondContact O-N 3.48Å; K655-K659 VanDerWaalsContact O-N 3.08Å

Retrieved 659 of 659 residues in 2023.3 ms (Link to these results)

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