A0A5K4EZZ5_SCHMA Loading...

PlsC domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4EZZ5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 452 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
1M63.5Low87.6Confident236 Ų236114.2 Ų114.2100%1.16358%0.579SS**  0140.90-71.1-161.9168.100108.6
2P79Confident88.1Confident82 Ų82110.8 Ų110.853%0.53255%0.554SS.*  trans-57.2144.9171.622.7-30.2000110.2Y6P2-Y6 HydrophobicContact CB-CD1 3.45Å; P2-Y6 VanDerWaalsContact CB-CD1 3.45Å; P2-Y6 HydrophobicContact CB-CE1 4.05Å; P2-Y6 HydrophobicContact CB-CG 4.12Å
3S91.3Very high88.5Confident71 Ų71109.8 Ų109.850%0.49755%0.545SS..  trans-66155.7175.8670000110.6L5 Y6 C7S3-L5 PolarHBondContact O-N 3.16Å; S3-Y6 WeakPolarHBondContact O-CB 3.23Å; S3-Y6 PolarHBondContact O-N 3.24Å; S3-Y6 WeakPolarHBondContact OG-CB 3.46Å; S3-Y6 PolarHBondContact OG-N 3.02Å; S3-C7 PolarHBondContact O-N 3.12Å; S3-C7 VanDerWaalsContact O-N 3.12Å
4I88Confident89Confident145 Ų145109.6 Ų109.674%0.74455%0.546SS*.Hα-helixtrans-55.2-41.2175.6-65.8170.6000110.5Y6 C7 V8I4-Y6 VanDerWaalsContact C-N 3.3Å; I4-Y6 PolarHBondContact O-N 3.25Å; I4-C7 PolarHBondContact O-N 2.95Å; I4-V8 HydrophobicContact CG2-CG2 4.28Å; I4-V8 WeakPolarHBondContact O-CG2 3.34Å; I4-V8 PolarHBondContact O-N 3.47Å
5L89.8Confident89.3Confident138 Ų138103.9 Ų103.972%0.72352%0.522SS*.Hα-helixtrans-60.9-38.8177.6-174.463.6000112.3S3 V8 F9S3-L5 PolarHBondContact O-N 3.16Å; L5-V8 PolarHBondContact O-N 3.33Å; L5-F9 WeakPolarHBondContact O-CB 3.35Å; L5-F9 PolarHBondContact O-N 2.94Å
6Y92.4Very high89.7Confident126 Ų12699.2 Ų99.249%0.49450%0.501SS..Hα-helixtrans-63.9-45.7175.7-177.2-89.4000111.4P2 S3 I4 V8 F9 W10P2-Y6 HydrophobicContact CB-CD1 3.45Å; P2-Y6 VanDerWaalsContact CB-CD1 3.45Å; P2-Y6 HydrophobicContact CB-CE1 4.05Å; P2-Y6 HydrophobicContact CB-CG 4.12Å; S3-Y6 WeakPolarHBondContact O-CB 3.23Å; S3-Y6 PolarHBondContact O-N 3.24Å; S3-Y6 WeakPolarHBondContact OG-CB 3.46Å; S3-Y6 PolarHBondContact OG-N 3.02Å; I4-Y6 VanDerWaalsContact C-N 3.3Å; I4-Y6 PolarHBondContact O-N 3.25Å; Y6-V8 PolarHBondContact O-N 3.46Å; Y6-F9 PolarHBondContact O-N 3.47Å; Y6-W10 AromaticContact CD1-CD1 3.58Å; Y6-W10 AromaticContact CD2-CD1 4Å; Y6-W10 AromaticContact CD2-NE1 3.84Å; Y6-W10 AromaticContact CE1-CD1 3.29Å; Y6-W10 HydrophobicContact CE1-CG 4.42Å; Y6-W10 AromaticContact CE1-NE1 3.45Å; Y6-W10 AromaticContact CE2-CD1 3.74Å; Y6-W10 AromaticContact CE2-NE1 3.19Å; Y6-W10 AromaticContact CG-CD1 3.94Å; Y6-W10 AromaticContact CZ-CD1 3.39Å; Y6-W10 AromaticContact CZ-NE1 2.98Å; Y6-W10 VanDerWaalsContact O-CD1 3.26Å; Y6-W10 PolarHBondContact O-N 3.47Å; Y6-W10 PolarHBondContact OH-NE1 3.46Å; Y6-W10 VanDerWaalsContact OH-NE1 3.16Å
7C91.7Very high90Very high66 Ų6695.9 Ų95.945%0.44649%0.487SS..Hα-helixtrans-62.3-43.1177-64.20000112.1S3 I4 W10 F11S3-C7 PolarHBondContact O-N 3.12Å; S3-C7 VanDerWaalsContact O-N 3.12Å; I4-C7 PolarHBondContact O-N 2.95Å; C7-W10 PolarHBondContact O-N 3.05Å; C7-F11 WeakPolarHBondContact O-CB 3.35Å; C7-F11 PolarHBondContact O-N 2.94Å
8V89.8Confident90.3Very high65 Ų6599.2 Ų99.239%0.39449%0.493SS..Hα-helixtrans-63.3-45.7177.31720000110.9I4 L5 Y6 W10 F11 Y12I4-V8 HydrophobicContact CG2-CG2 4.28Å; I4-V8 WeakPolarHBondContact O-CG2 3.34Å; I4-V8 PolarHBondContact O-N 3.47Å; L5-V8 PolarHBondContact O-N 3.33Å; Y6-V8 PolarHBondContact O-N 3.46Å; V8-W10 PolarHBondContact O-N 3.38Å; V8-F11 PolarHBondContact O-N 3.22Å; V8-Y12 HydrophobicContact CG1-CD2 3.7Å; V8-Y12 HydrophobicContact CG1-CE2 3.66Å; V8-Y12 VanDerWaalsContact O-CD2 3.27Å; V8-Y12 WeakPolarHBondContact O-CD2 3.39Å; V8-Y12 PolarHBondContact O-N 3.07Å
9F92.2Very high90.6Very high122 Ų12295.4 Ų95.454%0.53547%0.473SS..Hα-helixtrans-57.1-50.4177.2174.2-94.3000111.8L5 Y6 F11 Y12 F13L5-F9 WeakPolarHBondContact O-CB 3.35Å; L5-F9 PolarHBondContact O-N 2.94Å; Y6-F9 PolarHBondContact O-N 3.47Å; F9-F11 PolarHBondContact O-N 3.38Å; F9-Y12 PolarHBondContact O-N 2.68Å; F9-F13 WeakPolarHBondContact O-CB 3.29Å; F9-F13 PolarHBondContact O-N 2.97Å
10W93.5Very high90.9Very high102 Ų10292.2 Ų92.239%0.38646%0.456SS..Hα-helixtrans-67.1-35.3-179.9-80.1107.2000113.1Y6 C7 V8 F13 L14Y6-W10 AromaticContact CD1-CD1 3.58Å; Y6-W10 AromaticContact CD2-CD1 4Å; Y6-W10 AromaticContact CD2-NE1 3.84Å; Y6-W10 AromaticContact CE1-CD1 3.29Å; Y6-W10 HydrophobicContact CE1-CG 4.42Å; Y6-W10 AromaticContact CE1-NE1 3.45Å; Y6-W10 AromaticContact CE2-CD1 3.74Å; Y6-W10 AromaticContact CE2-NE1 3.19Å; Y6-W10 AromaticContact CG-CD1 3.94Å; Y6-W10 AromaticContact CZ-CD1 3.39Å; Y6-W10 AromaticContact CZ-NE1 2.98Å; Y6-W10 VanDerWaalsContact O-CD1 3.26Å; Y6-W10 PolarHBondContact O-N 3.47Å; Y6-W10 PolarHBondContact OH-NE1 3.46Å; Y6-W10 VanDerWaalsContact OH-NE1 3.16Å; C7-W10 PolarHBondContact O-N 3.05Å; V8-W10 PolarHBondContact O-N 3.38Å; W10-F13 AromaticContact CE3-CD1 3.83Å; W10-F13 HydrophobicContact CE3-CD1 3.83Å; W10-F13 HydrophobicContact CE3-CG 4.44Å; W10-F13 AromaticContact CZ3-CD1 3.67Å; W10-F13 HydrophobicContact CZ3-CD1 3.67Å; W10-F13 AromaticContact CZ3-CE1 3.92Å; W10-F13 HydrophobicContact CZ3-CE1 3.92Å; W10-F13 HydrophobicContact CZ3-CG 4.47Å; W10-F13 PolarHBondContact O-N 2.91Å; W10-L14 WeakPolarHBondContact O-CB 3.32Å; W10-L14 VanDerWaalsContact O-CG 3.23Å; W10-L14 WeakPolarHBondContact O-CG 3.38Å; W10-L14 PolarHBondContact O-N 3.49Å
11F92.8Very high91.1Very high103 Ų10395.4 Ų95.445%0.45246%0.463SS..Hα-helixtrans-57.8-51.5172.1171.8-96.4000111.3C7 V8 F9 L14 A15 I170C7-F11 WeakPolarHBondContact O-CB 3.35Å; C7-F11 PolarHBondContact O-N 2.94Å; V8-F11 PolarHBondContact O-N 3.22Å; F9-F11 PolarHBondContact O-N 3.38Å; F11-L14 PolarHBondContact O-N 3.44Å; F11-A15 VanDerWaalsContact O-CB 3.27Å; F11-A15 WeakPolarHBondContact O-CB 3.22Å; F11-A15 PolarHBondContact O-N 2.86Å; F11-I170 HydrophobicContact CE1-CG1 4.43Å; F11-I170 HydrophobicContact CZ-CD1 4.26Å; F11-I170 HydrophobicContact CZ-CG1 4.35Å
12Y92.9Very high92.6Very high73 Ų7385.4 Ų85.429%0.28642%0.416SS..Hα-helixtrans-64.8-43.3178.7-83.7-70.4000112.5V8 F9 L14 A15 V16 V169 P173V8-Y12 HydrophobicContact CG1-CD2 3.7Å; V8-Y12 HydrophobicContact CG1-CE2 3.66Å; V8-Y12 VanDerWaalsContact O-CD2 3.27Å; V8-Y12 WeakPolarHBondContact O-CD2 3.39Å; V8-Y12 PolarHBondContact O-N 3.07Å; F9-Y12 PolarHBondContact O-N 2.68Å; Y12-L14 VanDerWaalsContact C-N 3.34Å; Y12-L14 PolarHBondContact O-N 3.43Å; Y12-A15 PolarHBondContact O-N 3.44Å; Y12-V16 VanDerWaalsContact O-CB 3.28Å; Y12-V16 WeakPolarHBondContact O-CB 3.4Å; Y12-V16 WeakPolarHBondContact O-CG2 3.17Å; Y12-V16 PolarHBondContact O-N 2.98Å; Y12-V169 VanDerWaalsContact CE1-O 3.25Å; Y12-V169 WeakPolarHBondContact CE1-O 3.3Å; Y12-V169 WeakPolarHBondContact OH-CG1 3.31Å; Y12-V169 PolarHBondContact OH-O 2.85Å; Y12-P173 HydrophobicContact CE1-CG 4.26Å
13F94.3Very high93.4Very high99 Ų9981.8 Ų81.843%0.43439%0.393SS..Hα-helixtrans-57.6-47.9177.6-179.4-97.2000111.1F9 W10 T17F9-F13 WeakPolarHBondContact O-CB 3.29Å; F9-F13 PolarHBondContact O-N 2.97Å; W10-F13 AromaticContact CE3-CD1 3.83Å; W10-F13 HydrophobicContact CE3-CD1 3.83Å; W10-F13 HydrophobicContact CE3-CG 4.44Å; W10-F13 AromaticContact CZ3-CD1 3.67Å; W10-F13 HydrophobicContact CZ3-CD1 3.67Å; W10-F13 AromaticContact CZ3-CE1 3.92Å; W10-F13 HydrophobicContact CZ3-CE1 3.92Å; W10-F13 HydrophobicContact CZ3-CG 4.47Å; W10-F13 PolarHBondContact O-N 2.91Å; F13-T17 HydrophobicContact CD1-CG2 4.42Å; F13-T17 HydrophobicContact CD2-CG2 4.36Å; F13-T17 HydrophobicContact CE1-CG2 4.14Å; F13-T17 HydrophobicContact CE2-CG2 4.07Å; F13-T17 HydrophobicContact CZ-CG2 3.95Å; F13-T17 VanDerWaalsContact O-CB 3.29Å; F13-T17 WeakPolarHBondContact O-CB 3.28Å; F13-T17 WeakPolarHBondContact O-CG2 3.27Å; F13-T17 PolarHBondContact O-N 3.31Å; F13-T17 PolarHBondContact O-OG1 2.88Å
14L95.2Very high93.7Very high107 Ų10779.9 Ų79.956%0.5638%0.378SS*.Hα-helixtrans-66.5-44177.9-69.5172.3000112.3W10 F11 Y12 T17 W18W10-L14 WeakPolarHBondContact O-CB 3.32Å; W10-L14 VanDerWaalsContact O-CG 3.23Å; W10-L14 WeakPolarHBondContact O-CG 3.38Å; W10-L14 PolarHBondContact O-N 3.49Å; F11-L14 PolarHBondContact O-N 3.44Å; Y12-L14 VanDerWaalsContact C-N 3.34Å; Y12-L14 PolarHBondContact O-N 3.43Å; L14-T17 WeakPolarHBondContact CA-OG1 3.18Å; L14-T17 PolarHBondContact O-OG1 3.47Å; L14-T17 VanDerWaalsContact O-OG1 3.07Å; L14-W18 WeakPolarHBondContact O-CB 3.27Å; L14-W18 PolarHBondContact O-N 2.92Å
15A93.4Very high94Very high23 Ų2376.4 Ų76.419%0.1936%0.364CS..Hα-helixtrans-62.6-47.5179.400000111.8F11 Y12 F19F11-A15 VanDerWaalsContact O-CB 3.27Å; F11-A15 WeakPolarHBondContact O-CB 3.22Å; F11-A15 PolarHBondContact O-N 2.86Å; Y12-A15 PolarHBondContact O-N 3.44Å; A15-F19 WeakPolarHBondContact O-CB 3.41Å; A15-F19 PolarHBondContact O-N 3.1Å
16V95.3Very high94.3Very high29 Ų2970.2 Ų70.218%0.17633%0.332CS..Hα-helixtrans-66-46.1179.6171.80000110.9Y12 F19 F20 V177Y12-V16 VanDerWaalsContact O-CB 3.28Å; Y12-V16 WeakPolarHBondContact O-CB 3.4Å; Y12-V16 WeakPolarHBondContact O-CG2 3.17Å; Y12-V16 PolarHBondContact O-N 2.98Å; V16-F19 PolarHBondContact O-N 3.35Å; V16-F20 WeakPolarHBondContact O-CB 3.2Å; V16-F20 PolarHBondContact O-N 2.87Å; V16-V177 HydrophobicContact CG1-CB 3.99Å; V16-V177 HydrophobicContact CG1-CG1 3.83Å; V16-V177 HydrophobicContact CG1-CG2 3.94Å
17T95.5Very high94.4Very high43 Ų4364.2 Ų64.226%0.26431%0.309SS..Hα-helixtrans-64.1-44.3179.651.10000111.6F13 L14 F20 W21F13-T17 HydrophobicContact CD1-CG2 4.42Å; F13-T17 HydrophobicContact CD2-CG2 4.36Å; F13-T17 HydrophobicContact CE1-CG2 4.14Å; F13-T17 HydrophobicContact CE2-CG2 4.07Å; F13-T17 HydrophobicContact CZ-CG2 3.95Å; F13-T17 VanDerWaalsContact O-CB 3.29Å; F13-T17 WeakPolarHBondContact O-CB 3.28Å; F13-T17 WeakPolarHBondContact O-CG2 3.27Å; F13-T17 PolarHBondContact O-N 3.31Å; F13-T17 PolarHBondContact O-OG1 2.88Å; L14-T17 WeakPolarHBondContact CA-OG1 3.18Å; L14-T17 PolarHBondContact O-OG1 3.47Å; L14-T17 VanDerWaalsContact O-OG1 3.07Å; T17-F20 PolarHBondContact O-N 3.03Å; T17-W21 PolarHBondContact O-N 2.92Å
18W95.1Very high94.5Very high156 Ų15664.6 Ų64.659%0.59131%0.311SS*.Hα-helixtrans-62.6-47.8176.1-176.386.4000111.7L14 F20 W21 S22 I34L14-W18 WeakPolarHBondContact O-CB 3.27Å; L14-W18 PolarHBondContact O-N 2.92Å; W18-F20 VanDerWaalsContact C-N 3.33Å; W18-F20 PolarHBondContact O-N 2.85Å; W18-W21 PolarHBondContact O-N 2.91Å; W18-S22 WeakPolarHBondContact O-CB 3.35Å; W18-S22 PolarHBondContact O-N 3.4Å; W18-I34 HydrophobicContact CH2-CD1 4.15Å; W18-I34 HydrophobicContact CH2-CG2 4.09Å; W18-I34 HydrophobicContact CZ2-CD1 4.05Å
19F95.1Very high94.7Very high26 Ų2668.4 Ų68.411%0.11432%0.323CS..Hα-helixtrans-61.7-42178.7-173.7-92.1000111.8A15 V16 S23 C174 R175 V178A15-F19 WeakPolarHBondContact O-CB 3.41Å; A15-F19 PolarHBondContact O-N 3.1Å; V16-F19 PolarHBondContact O-N 3.35Å; F19-S23 VanDerWaalsContact O-CB 3.31Å; F19-S23 WeakPolarHBondContact O-CB 3.37Å; F19-S23 PolarHBondContact O-N 2.97Å; F19-S23 PolarHBondContact O-OG 3.46Å; F19-C174 HydrophobicContact CB-CB 3.93Å; F19-C174 HydrophobicContact CD1-CB 3.6Å; F19-C174 HydrophobicContact CD2-CB 4.3Å; F19-C174 HydrophobicContact CE1-CB 4.18Å; F19-C174 HydrophobicContact CG-CB 3.68Å; F19-R175 HydrophobicContact CE1-CG 4.13Å; F19-R175 HydrophobicContact CZ-CG 3.89Å; F19-V178 HydrophobicContact CD1-CG2 3.53Å; F19-V178 HydrophobicContact CE1-CB 4.2Å; F19-V178 HydrophobicContact CE1-CG2 3.64Å
20F96.7Very high94.7Very high32 Ų3267.5 Ų67.514%0.1432%0.319CS..Hα-helixtrans-62.8-54.3177.8178.2-93.8000111.7V16 T17 W18 S22 S23 V24 V178 F185V16-F20 WeakPolarHBondContact O-CB 3.2Å; V16-F20 PolarHBondContact O-N 2.87Å; T17-F20 PolarHBondContact O-N 3.03Å; W18-F20 VanDerWaalsContact C-N 3.33Å; W18-F20 PolarHBondContact O-N 2.85Å; F20-S22 PolarHBondContact O-N 3.43Å; F20-S23 WeakPolarHBondContact O-CB 3.31Å; F20-S23 PolarHBondContact O-N 3.47Å; F20-S23 VanDerWaalsContact O-N 3.1Å; F20-V24 HydrophobicContact CD1-CG2 4.25Å; F20-V24 HydrophobicContact CE1-CG2 3.84Å; F20-V24 HydrophobicContact CE2-CG2 4.44Å; F20-V24 HydrophobicContact CZ-CG2 3.95Å; F20-V24 WeakPolarHBondContact O-CG2 3.41Å; F20-V24 PolarHBondContact O-N 3.42Å; F20-V178 HydrophobicContact CB-CG2 4.27Å; F20-V178 HydrophobicContact CD2-CG2 4.01Å; F20-F185 HydrophobicContact CE2-CE2 4.49Å; F20-F185 HydrophobicContact CZ-CE2 4.07Å
21W95.8Very high94.5Very high159 Ų15966.3 Ų66.360%0.60232%0.319SS*.Hα-helixtrans-66.8-37.1-178.6-74.1117.6000112.6T17 W18 S23 V24 V25T17-W21 PolarHBondContact O-N 2.92Å; W18-W21 PolarHBondContact O-N 2.91Å; W21-S23 VanDerWaalsContact C-N 3.29Å; W21-S23 PolarHBondContact O-N 2.91Å; W21-V24 HydrophobicContact CE3-CB 4.32Å; W21-V24 HydrophobicContact CE3-CG1 4.37Å; W21-V24 HydrophobicContact CZ3-CG1 4.43Å; W21-V24 PolarHBondContact O-N 3.49Å; W21-V25 WeakPolarHBondContact O-CG2 3.15Å; W21-V25 PolarHBondContact O-N 3.43Å
22S95.1Very high94.2Very high26 Ų2663.8 Ų63.818%0.18231%0.308CS..Hα-helixtrans-59.2-41.4170.9178.60000111.6W18 F20 S26 I34W18-S22 WeakPolarHBondContact O-CB 3.35Å; W18-S22 PolarHBondContact O-N 3.4Å; F20-S22 PolarHBondContact O-N 3.43Å; S22-S26 VanDerWaalsContact O-CB 3.26Å; S22-S26 WeakPolarHBondContact O-CB 3.26Å; S22-S26 PolarHBondContact O-N 3.42Å; S22-I34 WeakPolarHBondContact OG-CD1 3.33Å
23S96.2Very high94Very high6 Ų666.3 Ų66.34%0.04233%0.325CS..Hα-helixtrans-66.1-41.6177.1-61.10000111.7F19 F20 W21 S26 A27F19-S23 VanDerWaalsContact O-CB 3.31Å; F19-S23 WeakPolarHBondContact O-CB 3.37Å; F19-S23 PolarHBondContact O-N 2.97Å; F19-S23 PolarHBondContact O-OG 3.46Å; F20-S23 WeakPolarHBondContact O-CB 3.31Å; F20-S23 PolarHBondContact O-N 3.47Å; F20-S23 VanDerWaalsContact O-N 3.1Å; W21-S23 VanDerWaalsContact C-N 3.29Å; W21-S23 PolarHBondContact O-N 2.91Å; S23-S26 PolarHBondContact O-N 2.72Å; S23-A27 VanDerWaalsContact O-CB 3.23Å; S23-A27 WeakPolarHBondContact O-CB 3.31Å; S23-A27 PolarHBondContact O-N 3.22Å
24V96Very high93.8Very high31 Ų3165.2 Ų65.219%0.18832%0.323CS..Hα-helixtrans-61.9-49.1175.8172.10000111F20 W21 S26 A27 C28 L216F20-V24 HydrophobicContact CD1-CG2 4.25Å; F20-V24 HydrophobicContact CE1-CG2 3.84Å; F20-V24 HydrophobicContact CE2-CG2 4.44Å; F20-V24 HydrophobicContact CZ-CG2 3.95Å; F20-V24 WeakPolarHBondContact O-CG2 3.41Å; F20-V24 PolarHBondContact O-N 3.42Å; W21-V24 HydrophobicContact CE3-CB 4.32Å; W21-V24 HydrophobicContact CE3-CG1 4.37Å; W21-V24 HydrophobicContact CZ3-CG1 4.43Å; W21-V24 PolarHBondContact O-N 3.49Å; V24-S26 PolarHBondContact O-N 2.91Å; V24-A27 PolarHBondContact O-N 3.36Å; V24-C28 WeakPolarHBondContact O-CB 3.25Å; V24-C28 PolarHBondContact O-N 3.44Å; V24-C28 PolarHBondContact O-SG 2.85Å; V24-C28 VanDerWaalsContact O-SG 3.39Å; V24-L216 HydrophobicContact CG2-CD1 4.07Å; V24-L216 HydrophobicContact CG2-CD2 4.31Å
25V95.7Very high93.6Very high72 Ų7261.1 Ų61.144%0.43630%0.301SS..Hα-helixtrans-60.2-47177171.20000110.5W21 A27 C28 F29W21-V25 WeakPolarHBondContact O-CG2 3.15Å; W21-V25 PolarHBondContact O-N 3.43Å; V25-A27 VanDerWaalsContact C-N 3.34Å; V25-A27 PolarHBondContact O-N 2.95Å; V25-C28 PolarHBondContact O-N 2.88Å; V25-F29 HydrophobicContact CB-CD2 4.45Å; V25-F29 HydrophobicContact CG1-CD2 3.9Å; V25-F29 HydrophobicContact CG1-CE2 4.48Å; V25-F29 WeakPolarHBondContact O-CB 3.43Å; V25-F29 VanDerWaalsContact O-CD2 3.31Å; V25-F29 WeakPolarHBondContact O-CD2 3.05Å; V25-F29 PolarHBondContact O-N 3.28Å
26S95Very high93.4Very high8 Ų864.2 Ų64.26%0.05631%0.312CS..Hα-helixtrans-57.8-46177.6-179.40000112.4S22 S23 V24 K30 I31 Q35S22-S26 VanDerWaalsContact O-CB 3.26Å; S22-S26 WeakPolarHBondContact O-CB 3.26Å; S22-S26 PolarHBondContact O-N 3.42Å; S23-S26 PolarHBondContact O-N 2.72Å; V24-S26 PolarHBondContact O-N 2.91Å; S26-K30 VanDerWaalsContact O-CA 3.31Å; S26-K30 WeakPolarHBondContact O-CA 3.39Å; S26-K30 PolarHBondContact O-N 3.42Å; S26-I31 VanDerWaalsContact CA-O 3.31Å; S26-I31 WeakPolarHBondContact CA-O 3.15Å; S26-I31 VanDerWaalsContact CB-O 3.24Å; S26-I31 WeakPolarHBondContact CB-O 3.43Å; S26-I31 PolarHBondContact O-N 3.33Å; S26-I31 PolarHBondContact OG-O 3.44Å; S26-Q35 PolarHBondContact OG-NE2 3.2Å
27A95.5Very high93.3Very high1 Ų168.8 Ų68.81%0.00834%0.335CS..Hα-helixtrans-69-43.5-177.900000113.2S23 V24 V25 R215 L216S23-A27 VanDerWaalsContact O-CB 3.23Å; S23-A27 WeakPolarHBondContact O-CB 3.31Å; S23-A27 PolarHBondContact O-N 3.22Å; V24-A27 PolarHBondContact O-N 3.36Å; V25-A27 VanDerWaalsContact C-N 3.34Å; V25-A27 PolarHBondContact O-N 2.95Å; A27-R215 HydrophobicContact CB-CB 3.82Å; A27-R215 WeakPolarHBondContact O-CD 3.2Å; A27-L216 HydrophobicContact CB-CB 3.78Å; A27-L216 HydrophobicContact CB-CD1 4.17Å
28C93.9Very high93.1Very high73 Ų7368.2 Ų68.249%0.49333%0.328SS..Hα-helixtrans-72.6-40.1-179-700000112.5V24 V25V24-C28 WeakPolarHBondContact O-CB 3.25Å; V24-C28 PolarHBondContact O-N 3.44Å; V24-C28 PolarHBondContact O-SG 2.85Å; V24-C28 VanDerWaalsContact O-SG 3.39Å; V25-C28 PolarHBondContact O-N 2.88Å
29F93.6Very high92.9Very high145 Ų14561.7 Ų61.764%0.63630%0.304SS*.Hα-helixtrans-98.10.2-175.2-63.4-76.8000114V25 I31V25-F29 HydrophobicContact CB-CD2 4.45Å; V25-F29 HydrophobicContact CG1-CD2 3.9Å; V25-F29 HydrophobicContact CG1-CE2 4.48Å; V25-F29 WeakPolarHBondContact O-CB 3.43Å; V25-F29 VanDerWaalsContact O-CD2 3.31Å; V25-F29 WeakPolarHBondContact O-CD2 3.05Å; V25-F29 PolarHBondContact O-N 3.28Å; F29-I31 HydrophobicContact CB-CD1 3.68Å; F29-I31 HydrophobicContact CB-CG1 3.87Å; F29-I31 PolarHBondContact O-N 3.36Å
30K91.7Very high92.7Very high104 Ų10462.9 Ų62.945%0.45232%0.316SS..THydrogen-bonded Turntrans57.834.3-178.3-46-176.8-167.5-170.50112.4S26 E208 R215S26-K30 VanDerWaalsContact O-CA 3.31Å; S26-K30 WeakPolarHBondContact O-CA 3.39Å; S26-K30 PolarHBondContact O-N 3.42Å; K30-E208 WeakPolarHBondContact CE-OE2 3.04Å; K30-E208 IonicContact NZ-OE1 3.62Å; K30-E208 IonicContact NZ-OE2 2.94Å; K30-E208 PolarHBondContact NZ-OE2 2.88Å; K30-R215 VanDerWaalsContact CE-CZ 3.44Å; K30-R215 VanDerWaalsContact CE-NH2 3.33Å
31I89.4Confident92.5Very high76 Ų7666.7 Ų66.739%0.3934%0.335SS..  trans-102.7126.4-178.3-61.1173000109.2S26 F29 I33S26-I31 VanDerWaalsContact CA-O 3.31Å; S26-I31 WeakPolarHBondContact CA-O 3.15Å; S26-I31 VanDerWaalsContact CB-O 3.24Å; S26-I31 WeakPolarHBondContact CB-O 3.43Å; S26-I31 PolarHBondContact O-N 3.33Å; S26-I31 PolarHBondContact OG-O 3.44Å; F29-I31 HydrophobicContact CB-CD1 3.68Å; F29-I31 HydrophobicContact CB-CG1 3.87Å; F29-I31 PolarHBondContact O-N 3.36Å; I31-I33 HydrophobicContact CG2-CB 4.29Å; I31-I33 HydrophobicContact CG2-CD1 3.63Å; I31-I33 HydrophobicContact CG2-CG1 3.67Å
32Q87.7Confident92.3Very high50 Ų5059.2 Ų59.223%0.23431%0.307CS..  trans-118.627.6-178.5-66.4-171-2600114.4I34 Q35 H36 A223Q32-I34 PolarHBondContact O-N 2.92Å; Q32-Q35 PolarHBondContact O-N 2.97Å; Q32-Q35 PolarHBondContact O-OE1 2.89Å; Q32-H36 PolarHBondContact O-CD2 2.95Å; Q32-H36 PolarHBondContact O-N 3.08Å; Q32-A223 PolarHBondContact NE2-O 3.45Å
33I88.8Confident91.9Very high126 Ų12661.5 Ų61.565%0.64632%0.317SS*.Hα-helixtrans-59.8-49.1-173.4-64.2167.5000112.1I31 Q35 H36 L37I31-I33 HydrophobicContact CG2-CB 4.29Å; I31-I33 HydrophobicContact CG2-CD1 3.63Å; I31-I33 HydrophobicContact CG2-CG1 3.67Å; I33-Q35 VanDerWaalsContact C-N 3.3Å; I33-Q35 PolarHBondContact O-N 3.44Å; I33-H36 PolarHBondContact O-N 3.32Å; I33-L37 PolarHBondContact O-N 2.99Å
34I88.6Confident91.4Very high76 Ų7670 Ų7039%0.3935%0.349SS..Hα-helixtrans-64.2-40-177.7-68.6166.9000110.2W18 S22 Q32 L37 Y38W18-I34 HydrophobicContact CH2-CD1 4.15Å; W18-I34 HydrophobicContact CH2-CG2 4.09Å; W18-I34 HydrophobicContact CZ2-CD1 4.05Å; S22-I34 WeakPolarHBondContact OG-CD1 3.33Å; Q32-I34 PolarHBondContact O-N 2.92Å; I34-L37 PolarHBondContact O-N 3.26Å; I34-Y38 WeakPolarHBondContact O-CB 3.16Å; I34-Y38 PolarHBondContact O-N 3.39Å
35Q90.6Very high90.9Very high21 Ų2171.6 Ų71.610%0.09836%0.356CS..Hα-helixtrans-67.2-42.4178.5-58.889.1-3100111.5S26 Q32 I33 Y38 I39 V224S26-Q35 PolarHBondContact OG-NE2 3.2Å; Q32-Q35 PolarHBondContact O-N 2.97Å; Q32-Q35 PolarHBondContact O-OE1 2.89Å; I33-Q35 VanDerWaalsContact C-N 3.3Å; I33-Q35 PolarHBondContact O-N 3.44Å; Q35-Y38 WeakPolarHBondContact O-CB 3.37Å; Q35-Y38 PolarHBondContact O-N 3.3Å; Q35-I39 VanDerWaalsContact O-CG1 3.31Å; Q35-I39 WeakPolarHBondContact O-CG1 3.45Å; Q35-I39 PolarHBondContact O-N 3.35Å; Q35-V224 HydrophobicContact CB-CG2 3.49Å; Q35-V224 VanDerWaalsContact CB-CG2 3.49Å; Q35-V224 HydrophobicContact CG-CG2 4.43Å
36H90.4Very high90.5Very high88 Ų8868.2 Ų68.241%0.40734%0.335SS..Hα-helixtrans-64-40.4175.5-79.4-63.5000112.6Q32 I33 Y38 I39 S40 V224Q32-H36 PolarHBondContact O-CD2 2.95Å; Q32-H36 PolarHBondContact O-N 3.08Å; I33-H36 PolarHBondContact O-N 3.32Å; H36-Y38 VanDerWaalsContact C-N 3.33Å; H36-I39 PolarHBondContact O-N 2.98Å; H36-S40 WeakPolarHBondContact O-CB 3.34Å; H36-S40 PolarHBondContact O-N 3.23Å; H36-V224 VanDerWaalsContact CE1-CG1 3.43Å; H36-V224 WeakPolarHBondContact CE1-CG1 3.4Å
37L92Very high89.8Confident126 Ų12669.6 Ų69.666%0.6635%0.345SS*.Hα-helixtrans-61.7-43.8174.2-179.262.6000111.1I33 I34 S40 M41I33-L37 PolarHBondContact O-N 2.99Å; I34-L37 PolarHBondContact O-N 3.26Å; L37-S40 PolarHBondContact O-N 3.42Å; L37-M41 PolarHBondContact O-N 3.17Å
38Y92.6Very high89Confident31 Ų3176 Ų7612%0.12237%0.37CS..Hα-helixtrans-61.2-47.1176.8173.4-118000112.5I34 Q35 H36 S40 M41 L42 F171 W375 A376I34-Y38 WeakPolarHBondContact O-CB 3.16Å; I34-Y38 PolarHBondContact O-N 3.39Å; Q35-Y38 WeakPolarHBondContact O-CB 3.37Å; Q35-Y38 PolarHBondContact O-N 3.3Å; H36-Y38 VanDerWaalsContact C-N 3.33Å; Y38-S40 PolarHBondContact O-N 3.07Å; Y38-M41 HydrophobicContact CD2-CE 3.94Å; Y38-M41 HydrophobicContact CE2-CE 4.21Å; Y38-M41 PolarHBondContact O-N 3.39Å; Y38-L42 HydrophobicContact CD1-CD1 4.2Å; Y38-L42 HydrophobicContact CD2-CD1 4.43Å; Y38-L42 HydrophobicContact CD2-CG 4.36Å; Y38-L42 HydrophobicContact CE1-CD1 3.64Å; Y38-L42 HydrophobicContact CE2-CD1 3.88Å; Y38-L42 HydrophobicContact CE2-CD2 4.21Å; Y38-L42 HydrophobicContact CE2-CG 3.94Å; Y38-L42 VanDerWaalsContact CZ-CD1 3.46Å; Y38-L42 WeakPolarHBondContact O-CG 3.31Å; Y38-L42 PolarHBondContact O-N 3.24Å; Y38-F171 AromaticContact CE2-CE2 3.86Å; Y38-F171 HydrophobicContact CE2-CE2 3.86Å; Y38-F171 AromaticContact CE2-CZ 3.88Å; Y38-F171 HydrophobicContact CE2-CZ 3.88Å; Y38-F171 AromaticContact CZ-CE2 3.77Å; Y38-F171 VanDerWaalsContact OH-CE2 3.27Å; Y38-F171 WeakPolarHBondContact OH-CE2 3.41Å; Y38-W375 PolarHBondContact OH-O 3.36Å; Y38-A376 HydrophobicContact CE1-CB 4.35Å
39I91.3Very high88.1Confident19 Ų1972.6 Ų72.610%0.09735%0.346CS..Hα-helixtrans-61.5-43.2175.8-68.4-62.5000111.2Q35 H36 M41 L42 D43 V224 F352 A376Q35-I39 VanDerWaalsContact O-CG1 3.31Å; Q35-I39 WeakPolarHBondContact O-CG1 3.45Å; Q35-I39 PolarHBondContact O-N 3.35Å; H36-I39 PolarHBondContact O-N 2.98Å; I39-M41 VanDerWaalsContact C-N 3.33Å; I39-M41 PolarHBondContact O-N 2.7Å; I39-L42 PolarHBondContact O-N 2.96Å; I39-D43 WeakPolarHBondContact O-CB 3.38Å; I39-D43 PolarHBondContact O-N 3.2Å; I39-V224 HydrophobicContact CG1-CG2 3.92Å; I39-F352 HydrophobicContact CD1-CD1 3.8Å; I39-F352 HydrophobicContact CD1-CD2 4.45Å; I39-F352 HydrophobicContact CD1-CE1 3.94Å; I39-F352 HydrophobicContact CD1-CG 4.09Å; I39-F352 HydrophobicContact CD1-CZ 4.33Å; I39-F352 HydrophobicContact CG2-CE1 4.08Å; I39-F352 HydrophobicContact CG2-CE2 4.21Å; I39-F352 HydrophobicContact CG2-CZ 3.69Å; I39-A376 HydrophobicContact CD1-CB 3.55Å
40S90.7Very high87.1Confident51 Ų5166 Ų6636%0.35732%0.318SS..Hα-helixtrans-63.3-38.6178-173.90000112.4H36 L37 Y38 R44H36-S40 WeakPolarHBondContact O-CB 3.34Å; H36-S40 PolarHBondContact O-N 3.23Å; L37-S40 PolarHBondContact O-N 3.42Å; Y38-S40 PolarHBondContact O-N 3.07Å; S40-R44 WeakPolarHBondContact O-CG 3.3Å; S40-R44 PolarHBondContact O-N 3.45Å
41M92.3Very high86.2Confident111 Ų11163.4 Ų63.455%0.54731%0.313SS..Hα-helixtrans-64.5-45.2174.2-177.3-172.672.300111.6L37 Y38 I39 R44 L45L37-M41 PolarHBondContact O-N 3.17Å; Y38-M41 HydrophobicContact CD2-CE 3.94Å; Y38-M41 HydrophobicContact CE2-CE 4.21Å; Y38-M41 PolarHBondContact O-N 3.39Å; I39-M41 VanDerWaalsContact C-N 3.33Å; I39-M41 PolarHBondContact O-N 2.7Å; M41-R44 PolarHBondContact O-N 3.39Å; M41-L45 WeakPolarHBondContact O-CB 3.47Å; M41-L45 PolarHBondContact O-N 3.4Å
42L90.9Very high85.2Confident3 Ų360.9 Ų60.92%0.01630%0.304CS..Hα-helixtrans-62.8-44.3177.5-74.3178.7000112.2Y38 I39 R44 L45 F46 F352 W375Y38-L42 HydrophobicContact CD1-CD1 4.2Å; Y38-L42 HydrophobicContact CD2-CD1 4.43Å; Y38-L42 HydrophobicContact CD2-CG 4.36Å; Y38-L42 HydrophobicContact CE1-CD1 3.64Å; Y38-L42 HydrophobicContact CE2-CD1 3.88Å; Y38-L42 HydrophobicContact CE2-CD2 4.21Å; Y38-L42 HydrophobicContact CE2-CG 3.94Å; Y38-L42 VanDerWaalsContact CZ-CD1 3.46Å; Y38-L42 WeakPolarHBondContact O-CG 3.31Å; Y38-L42 PolarHBondContact O-N 3.24Å; I39-L42 PolarHBondContact O-N 2.96Å; L42-R44 VanDerWaalsContact C-N 3.32Å; L42-R44 PolarHBondContact O-N 3.4Å; L42-L45 WeakPolarHBondContact O-CB 3.02Å; L42-L45 PolarHBondContact O-N 3.5Å; L42-L45 VanDerWaalsContact O-N 3.08Å; L42-F46 HydrophobicContact CB-CE2 3.99Å; L42-F46 HydrophobicContact CB-CZ 3.98Å; L42-F46 HydrophobicContact CD1-CZ 4.38Å; L42-F46 HydrophobicContact CD2-CE1 4.21Å; L42-F46 HydrophobicContact CD2-CZ 3.97Å; L42-F46 HydrophobicContact CG-CZ 4.35Å; L42-F46 WeakPolarHBondContact O-CD2 3.48Å; L42-F46 WeakPolarHBondContact O-CG 3.49Å; L42-F46 PolarHBondContact O-N 3.19Å; L42-F352 HydrophobicContact CB-CD1 4.36Å; L42-F352 HydrophobicContact CB-CE1 3.87Å; L42-F352 HydrophobicContact CD1-CD1 3.96Å; L42-F352 HydrophobicContact CD1-CE1 4.24Å; L42-W375 HydrophobicContact CD1-CB 3.72Å; L42-W375 HydrophobicContact CD1-CD2 4.31Å; L42-W375 HydrophobicContact CD1-CE3 4.37Å; L42-W375 HydrophobicContact CD1-CG 4.13Å; L42-W375 HydrophobicContact CD2-CD2 4.01Å; L42-W375 HydrophobicContact CD2-CE3 3.91Å; L42-W375 HydrophobicContact CD2-CH2 4.37Å; L42-W375 HydrophobicContact CD2-CZ3 4.07Å
43D86.7Confident84.2Confident73 Ų7359 Ų5939%0.3930%0.296SS..Hα-helixtrans-58.7-43.3178.7-177.861.4000112I39 L45 F46 S47I39-D43 WeakPolarHBondContact O-CB 3.38Å; I39-D43 PolarHBondContact O-N 3.2Å; D43-L45 PolarHBondContact O-N 2.92Å; D43-F46 PolarHBondContact O-N 2.89Å; D43-S47 WeakPolarHBondContact O-CB 3.36Å; D43-S47 PolarHBondContact O-N 3.08Å; D43-S47 PolarHBondContact O-OG 3.15Å
44R87.1Confident82.9Confident185 Ų18554.1 Ų54.170%0.69827%0.272SS*.Hα-helixtrans-62.6-41.6173.2-70.6176.6-174.7-178.52.7112.1S40 M41 L42 S47 Y48S40-R44 WeakPolarHBondContact O-CG 3.3Å; S40-R44 PolarHBondContact O-N 3.45Å; M41-R44 PolarHBondContact O-N 3.39Å; L42-R44 VanDerWaalsContact C-N 3.32Å; L42-R44 PolarHBondContact O-N 3.4Å; R44-S47 PolarHBondContact O-N 3.3Å; R44-Y48 WeakPolarHBondContact O-CB 3.38Å; R44-Y48 PolarHBondContact O-N 3.42Å
45L85.3Confident81.4Confident64 Ų6455.2 Ų55.234%0.33528%0.282SS..Hα-helixtrans-68-43.1-179.7-170.568.6000111.8M41 L42 D43 Y48 A49 F138M41-L45 WeakPolarHBondContact O-CB 3.47Å; M41-L45 PolarHBondContact O-N 3.4Å; L42-L45 WeakPolarHBondContact O-CB 3.02Å; L42-L45 PolarHBondContact O-N 3.5Å; L42-L45 VanDerWaalsContact O-N 3.08Å; D43-L45 PolarHBondContact O-N 2.92Å; L45-Y48 PolarHBondContact O-N 3.3Å; L45-A49 PolarHBondContact O-N 2.89Å; L45-F138 HydrophobicContact CB-CE2 4.4Å; L45-F138 HydrophobicContact CD2-CD2 4.25Å; L45-F138 HydrophobicContact CD2-CE2 3.48Å; L45-F138 VanDerWaalsContact CD2-CE2 3.48Å; L45-F138 HydrophobicContact CD2-CZ 4.19Å; L45-F138 HydrophobicContact CG-CE2 3.54Å; L45-F138 HydrophobicContact CG-CZ 3.85Å
46F86.1Confident79.7Confident2 Ų260.5 Ų60.51%0.00931%0.311CS..Hα-helixtrans-66.1-39.1174.9-59.1-20.7000111.4L42 D43 A49 S50 V135 N137 F138 L351 F352 W375L42-F46 HydrophobicContact CB-CE2 3.99Å; L42-F46 HydrophobicContact CB-CZ 3.98Å; L42-F46 HydrophobicContact CD1-CZ 4.38Å; L42-F46 HydrophobicContact CD2-CE1 4.21Å; L42-F46 HydrophobicContact CD2-CZ 3.97Å; L42-F46 HydrophobicContact CG-CZ 4.35Å; L42-F46 WeakPolarHBondContact O-CD2 3.48Å; L42-F46 WeakPolarHBondContact O-CG 3.49Å; L42-F46 PolarHBondContact O-N 3.19Å; D43-F46 PolarHBondContact O-N 2.89Å; F46-A49 PolarHBondContact O-N 2.59Å; F46-S50 WeakPolarHBondContact O-CB 3.23Å; F46-S50 PolarHBondContact O-N 2.79Å; F46-S50 PolarHBondContact O-OG 2.81Å; F46-V135 HydrophobicContact CB-CG1 4.39Å; F46-N137 HydrophobicContact CD1-CB 4.1Å; F46-N137 HydrophobicContact CD2-CB 4.19Å; F46-N137 HydrophobicContact CE1-CB 3.97Å; F46-N137 WeakPolarHBondContact CE1-O 3.44Å; F46-N137 HydrophobicContact CE2-CB 4.03Å; F46-N137 HydrophobicContact CG-CB 4.24Å; F46-N137 HydrophobicContact CZ-CB 3.94Å; F46-F138 AromaticContact CD1-CD2 3.81Å; F46-F138 HydrophobicContact CD1-CD2 3.81Å; F46-F138 AromaticContact CD1-CE2 3.46Å; F46-F138 HydrophobicContact CD1-CE2 3.46Å; F46-F138 VanDerWaalsContact CD1-CE2 3.46Å; F46-F138 HydrophobicContact CD1-CZ 4.3Å; F46-F138 AromaticContact CE1-CD2 3.57Å; F46-F138 HydrophobicContact CE1-CD2 3.57Å; F46-F138 AromaticContact CE1-CE2 3.67Å; F46-F138 HydrophobicContact CE1-CE2 3.67Å; F46-L351 HydrophobicContact CD2-CD1 3.92Å; F46-L351 HydrophobicContact CD2-CD2 4.05Å; F46-L351 HydrophobicContact CD2-CG 3.78Å; F46-L351 HydrophobicContact CE2-CG 4.16Å; F46-F352 HydrophobicContact CD2-CE1 4.26Å; F46-F352 AromaticContact CE2-CD1 3.74Å; F46-F352 HydrophobicContact CE2-CD1 3.74Å; F46-F352 AromaticContact CE2-CE1 3.74Å; F46-F352 HydrophobicContact CE2-CE1 3.74Å; F46-W375 HydrophobicContact CE1-CZ2 4.5Å; F46-W375 AromaticContact CE1-NE1 3.78Å; F46-W375 AromaticContact CZ-CD1 3.49Å; F46-W375 VanDerWaalsContact CZ-CD1 3.49Å; F46-W375 HydrophobicContact CZ-CD2 4.32Å; F46-W375 AromaticContact CZ-CG 3.97Å; F46-W375 HydrophobicContact CZ-CG 3.97Å; F46-W375 AromaticContact CZ-NE1 3.52Å
47S80.1Confident77.8Confident36 Ų3664.3 Ų64.325%0.25233%0.329SS..Hα-helixtrans-62.1-42.3174.8-72.70000112.4D43 R44 S51D43-S47 WeakPolarHBondContact O-CB 3.36Å; D43-S47 PolarHBondContact O-N 3.08Å; D43-S47 PolarHBondContact O-OG 3.15Å; R44-S47 PolarHBondContact O-N 3.3Å; S47-S51 PolarHBondContact O-N 3.19Å; S47-S51 PolarHBondContact O-OG 3.41Å
48Y79Confident75.9Confident137 Ų13762.5 Ų62.554%0.53732%0.32SS..Hα-helixtrans-63.1-50.2174172.6-100.2000111.2R44 L45 S50 S51 A52R44-Y48 WeakPolarHBondContact O-CB 3.38Å; R44-Y48 PolarHBondContact O-N 3.42Å; L45-Y48 PolarHBondContact O-N 3.3Å; Y48-S50 VanDerWaalsContact C-N 3.3Å; Y48-S50 PolarHBondContact O-N 3.37Å; Y48-S51 PolarHBondContact O-N 2.88Å; Y48-S51 VanDerWaalsContact O-N 3.11Å; Y48-S51 PolarHBondContact O-OG 2.96Å; Y48-A52 PolarHBondContact O-N 3.31Å
49A76Confident73.9Confident0 Ų061.6 Ų61.60%032%0.317CS..Hα-helixtrans-60.2-40.2178.400000112.3L45 F46 S51 A52 V53 W136 F138L45-A49 PolarHBondContact O-N 2.89Å; F46-A49 PolarHBondContact O-N 2.59Å; A49-S51 VanDerWaalsContact C-N 3.34Å; A49-S51 PolarHBondContact O-N 3.21Å; A49-A52 WeakPolarHBondContact O-CB 3.37Å; A49-A52 PolarHBondContact O-N 2.81Å; A49-A52 VanDerWaalsContact O-N 3.16Å; A49-V53 WeakPolarHBondContact O-CB 3.33Å; A49-V53 VanDerWaalsContact O-CG2 3.23Å; A49-V53 WeakPolarHBondContact O-CG2 3.23Å; A49-V53 PolarHBondContact O-N 3.35Å; A49-W136 HydrophobicContact CB-CE3 4.12Å; A49-F138 HydrophobicContact CB-CE1 3.53Å; A49-F138 HydrophobicContact CB-CZ 3.5Å; A49-F138 VanDerWaalsContact CB-CZ 3.5Å
50S72.7Confident71.9Confident7 Ų769 Ų695%0.04935%0.348CS..Hα-helixtrans-62.1-40.3175.2-60.20000112.6F46 Y48 A52 V53 T54 V135F46-S50 WeakPolarHBondContact O-CB 3.23Å; F46-S50 PolarHBondContact O-N 2.79Å; F46-S50 PolarHBondContact O-OG 2.81Å; Y48-S50 VanDerWaalsContact C-N 3.3Å; Y48-S50 PolarHBondContact O-N 3.37Å; S50-A52 VanDerWaalsContact C-N 3.32Å; S50-V53 PolarHBondContact O-N 2.71Å; S50-T54 PolarHBondContact O-N 2.99Å; S50-T54 PolarHBondContact O-OG1 2.91Å; S50-V135 VanDerWaalsContact OG-CG1 3.28Å; S50-V135 WeakPolarHBondContact OG-CG1 3.11Å
51S72.4Confident69.9Low50 Ų5075.1 Ų75.135%0.3536%0.364SS..Hα-helixtrans-66.9-30.9174.168.10000113.5S47 Y48 A49 V53S47-S51 PolarHBondContact O-N 3.19Å; S47-S51 PolarHBondContact O-OG 3.41Å; Y48-S51 PolarHBondContact O-N 2.88Å; Y48-S51 VanDerWaalsContact O-N 3.11Å; Y48-S51 PolarHBondContact O-OG 2.96Å; A49-S51 VanDerWaalsContact C-N 3.34Å; A49-S51 PolarHBondContact O-N 3.21Å; S51-V53 VanDerWaalsContact C-N 3.34Å
52A68.5Low67.9Low23 Ų2371.4 Ų71.419%0.1935%0.346CS..Hα-helixtrans-73.9-26.4172.100000112.7Y48 A49 S50 N152Y48-A52 PolarHBondContact O-N 3.31Å; A49-A52 WeakPolarHBondContact O-CB 3.37Å; A49-A52 PolarHBondContact O-N 2.81Å; A49-A52 VanDerWaalsContact O-N 3.16Å; S50-A52 VanDerWaalsContact C-N 3.32Å; A52-N152 PolarHBondContact O-ND2 3.22Å
53V65.8Low66.1Low11 Ų1177.1 Ų77.17%0.06737%0.367CS..Hα-helixtrans-93.2-27.6-176.7175.20000112.9A49 S50 S51 W136 Y145 K149 L156A49-V53 WeakPolarHBondContact O-CB 3.33Å; A49-V53 VanDerWaalsContact O-CG2 3.23Å; A49-V53 WeakPolarHBondContact O-CG2 3.23Å; A49-V53 PolarHBondContact O-N 3.35Å; S50-V53 PolarHBondContact O-N 2.71Å; S51-V53 VanDerWaalsContact C-N 3.34Å; V53-W136 HydrophobicContact CG2-CE3 4.47Å; V53-Y145 HydrophobicContact CG1-CD1 3.89Å; V53-K149 WeakPolarHBondContact O-CD 3.26Å; V53-K149 WeakPolarHBondContact O-CE 3.1Å; V53-K149 PolarHBondContact O-NZ 2.72Å; V53-L156 HydrophobicContact CG2-CD1 3.7Å; V53-L156 HydrophobicContact CG2-CD2 3.63Å; V53-L156 HydrophobicContact CG2-CG 4.35Å
54T61.2Low64.2Low23 Ų2375.8 Ų75.814%0.14136%0.363CS..SBendtrans-110.6146.9-173.356.80000112.3S50 L59 I62S50-T54 PolarHBondContact O-N 2.99Å; S50-T54 PolarHBondContact O-OG1 2.91Å; T54-L59 WeakPolarHBondContact OG1-CB 3.34Å; T54-L59 WeakPolarHBondContact OG1-CD1 3.34Å; T54-I62 HydrophobicContact CG2-CD1 3.58Å
55V58.7Low62.3Low98 Ų9867.7 Ų67.759%0.59434%0.335SS*.  trans-67.9140.1166.4179.80000107.8E57 N58 L59V55-E57 PolarHBondContact O-N 3.34Å; V55-N58 PolarHBondContact O-N 3.03Å; V55-L59 PolarHBondContact O-N 2.93Å
56N53.6Low60.5Low132 Ų13265.9 Ų65.971%0.70633%0.325SS*.Hα-helixtrans-47.7-35-170.4-101.3-17.6000115.1L59N56-L59 PolarHBondContact O-N 2.88Å
57E50.4Low58.7Low168 Ų16867.9 Ų67.979%0.78534%0.34SS*.Hα-helixtrans-68.3-39.2178.6-69.8-170.5161.600113.2V55V55-E57 PolarHBondContact O-N 3.34Å
58N51.8Low57.1Low89 Ų8970.1 Ų70.148%0.47635%0.345SS..Hα-helixtrans-75.5-27.3176.9-74.1-17.3000111.8V55 K60 R61 I62V55-N58 PolarHBondContact O-N 3.03Å; N58-K60 PolarHBondContact O-N 2.93Å; N58-R61 PolarHBondContact O-N 3.49Å; N58-I62 HydrophobicContact CB-CD1 4.23Å; N58-I62 WeakPolarHBondContact O-CB 3.36Å; N58-I62 WeakPolarHBondContact O-CD1 3.24Å; N58-I62 VanDerWaalsContact O-CG1 3.22Å; N58-I62 WeakPolarHBondContact O-CG1 3.31Å; N58-I62 PolarHBondContact O-N 2.91Å
59L50.7Low55.5Low12 Ų1271.5 Ų71.56%0.06336%0.356CS..Hα-helixtrans-59.9-46.2179.1-172.576.5000112.1T54 V55 N56 R61 I62 R63T54-L59 WeakPolarHBondContact OG1-CB 3.34Å; T54-L59 WeakPolarHBondContact OG1-CD1 3.34Å; V55-L59 PolarHBondContact O-N 2.93Å; N56-L59 PolarHBondContact O-N 2.88Å; L59-R61 VanDerWaalsContact C-N 3.33Å; L59-R61 PolarHBondContact O-N 3.27Å; L59-I62 PolarHBondContact O-N 3.11Å; L59-R63 HydrophobicContact CG-CG 4.46Å; L59-R63 VanDerWaalsContact O-CB 3.31Å; L59-R63 WeakPolarHBondContact O-CB 3.31Å; L59-R63 VanDerWaalsContact O-CG 3.31Å; L59-R63 WeakPolarHBondContact O-CG 3.19Å; L59-R63 PolarHBondContact O-N 3.4Å
60K49.2Very low54Low174 Ų17474.9 Ų74.976%0.75737%0.374SS*.Hα-helixtrans-62.3-42178.9-80.7-174.4179178.30111.6N58 S64N58-K60 PolarHBondContact O-N 2.93Å; K60-S64 WeakPolarHBondContact O-CB 3.38Å; K60-S64 PolarHBondContact O-N 3.21Å; K60-S64 PolarHBondContact O-OG 2.8Å
61R49.7Very low52.7Low179 Ų17975.3 Ų75.368%0.67538%0.376SS*.Hα-helixtrans-68.1-40.7179.5-156-169.3-65.5-140.13.4111.9N58 L59 S64 V65N58-R61 PolarHBondContact O-N 3.49Å; L59-R61 VanDerWaalsContact C-N 3.33Å; L59-R61 PolarHBondContact O-N 3.27Å; R61-S64 PolarHBondContact O-OG 3.13Å; R61-V65 VanDerWaalsContact O-CG2 3.28Å; R61-V65 WeakPolarHBondContact O-CG2 3.48Å; R61-V65 PolarHBondContact O-N 3.48Å; R61-V65 VanDerWaalsContact O-N 3.16Å
62I50.9Low51.3Low34 Ų3479 Ų7917%0.17439%0.392CS..Hα-helixtrans-68.3-43.9176.7-68.9163.7000110.4T54 N58 L59 V65 D66 R134 V135T54-I62 HydrophobicContact CG2-CD1 3.58Å; N58-I62 HydrophobicContact CB-CD1 4.23Å; N58-I62 WeakPolarHBondContact O-CB 3.36Å; N58-I62 WeakPolarHBondContact O-CD1 3.24Å; N58-I62 VanDerWaalsContact O-CG1 3.22Å; N58-I62 WeakPolarHBondContact O-CG1 3.31Å; N58-I62 PolarHBondContact O-N 2.91Å; L59-I62 PolarHBondContact O-N 3.11Å; I62-V65 PolarHBondContact O-N 3.22Å; I62-D66 PolarHBondContact O-N 2.92Å; I62-R134 HydrophobicContact CG2-CB 4.04Å; I62-V135 HydrophobicContact CG2-CG2 3.53Å
63R51.1Low50.2Low122 Ų12281.5 Ų81.546%0.4641%0.405SS..Hα-helixtrans-60.4-45.8175.1-79.4-176.7-177.7-175.61.7112L59 S67L59-R63 HydrophobicContact CG-CG 4.46Å; L59-R63 VanDerWaalsContact O-CB 3.31Å; L59-R63 WeakPolarHBondContact O-CB 3.31Å; L59-R63 VanDerWaalsContact O-CG 3.31Å; L59-R63 WeakPolarHBondContact O-CG 3.19Å; L59-R63 PolarHBondContact O-N 3.4Å; R63-S67 WeakPolarHBondContact O-CB 3.31Å; R63-S67 PolarHBondContact O-N 3.48Å; R63-S67 PolarHBondContact O-OG 2.87Å
64S48.2Very low49.3Very low45 Ų4582.3 Ų82.332%0.31541%0.407SS..Hα-helixtrans-61.7-47.3-179.362.90000110.1K60 R61 S67 N70K60-S64 WeakPolarHBondContact O-CB 3.38Å; K60-S64 PolarHBondContact O-N 3.21Å; K60-S64 PolarHBondContact O-OG 2.8Å; R61-S64 PolarHBondContact O-OG 3.13Å; S64-S67 PolarHBondContact O-N 2.88Å; S64-S67 PolarHBondContact O-OG 3.4Å; S64-N70 WeakPolarHBondContact O-CB 3.47Å; S64-N70 PolarHBondContact O-ND2 3.48Å
65V46.6Very low48.9Very low15 Ų1586.8 Ų86.89%0.09143%0.43CS..Hα-helixtrans-72.8-39.2-174.1-178.10000113.5R61 I62R61-V65 VanDerWaalsContact O-CG2 3.28Å; R61-V65 WeakPolarHBondContact O-CG2 3.48Å; R61-V65 PolarHBondContact O-N 3.48Å; R61-V65 VanDerWaalsContact O-N 3.16Å; I62-V65 PolarHBondContact O-N 3.22Å
66D47.2Very low48.9Very low27 Ų2785.1 Ų85.114%0.14442%0.418CS..Hα-helixtrans-85.8-9.4178.1-77.35000112.7I62 R134 V135I62-D66 PolarHBondContact O-N 2.92Å; D66-R134 WeakPolarHBondContact OD2-CB 3.39Å; D66-R134 PolarHBondContact OD2-N 2.93Å; D66-V135 HydrophobicContact CB-CG2 4.22Å; D66-V135 WeakPolarHBondContact OD2-CG2 3.32Å; D66-V135 PolarHBondContact OD2-N 3.43Å
67S48.6Very low49.6Very low44 Ų4481.5 Ų81.531%0.30840%0.398SS..SBendtrans-67.8143.1170.169.30000110.4R63 S64 E69 N70 L71R63-S67 WeakPolarHBondContact O-CB 3.31Å; R63-S67 PolarHBondContact O-N 3.48Å; R63-S67 PolarHBondContact O-OG 2.87Å; S64-S67 PolarHBondContact O-N 2.88Å; S64-S67 PolarHBondContact O-OG 3.4Å; S67-E69 PolarHBondContact O-N 2.89Å; S67-N70 PolarHBondContact O-N 3.26Å; S67-L71 PolarHBondContact O-N 2.98Å
68F46.2Very low50.6Low82 Ų8280.4 Ų80.436%0.3640%0.397SS..G310 helixtrans-50.9-31.5-178.5-169.2-96.6000113.5D380 W382F68-D380 HydrophobicContact CE2-CB 4.25Å; F68-D380 WeakPolarHBondContact CE2-OD2 3.26Å; F68-D380 HydrophobicContact CZ-CB 4.02Å; F68-D380 VanDerWaalsContact CZ-OD2 3.31Å; F68-D380 WeakPolarHBondContact CZ-OD2 3.41Å; F68-W382 HydrophobicContact CE1-CZ2 4.41Å; F68-W382 HydrophobicContact CE2-CH2 4.43Å; F68-W382 AromaticContact CZ-CH2 3.72Å; F68-W382 HydrophobicContact CZ-CH2 3.72Å; F68-W382 AromaticContact CZ-CZ2 3.91Å; F68-W382 HydrophobicContact CZ-CZ2 3.91Å
69E45.2Very low51.8Low167 Ų16777.7 Ų77.778%0.7838%0.382SS*.G310 helixtrans-77.9-19.3-176.9-68-179.7176.100114.6S67S67-E69 PolarHBondContact O-N 2.89Å
70N44.5Very low53Low71 Ų7184.6 Ų84.638%0.3841%0.414SS..G310 helixtrans-122.220.8176.1-45.2-77.9000114.3S64 S67 D72 T73S64-N70 WeakPolarHBondContact O-CB 3.47Å; S64-N70 PolarHBondContact O-ND2 3.48Å; S67-N70 PolarHBondContact O-N 3.26Å; N70-D72 PolarHBondContact O-N 3.08Å; N70-T73 PolarHBondContact O-N 3.5Å; N70-T73 PolarHBondContact O-OG1 2.81Å
71L45.7Very low54.3Low16 Ų1678.3 Ų78.38%0.08439%0.386CS..G310 helixtrans-60.9-17.1175.6-131.178.4000112.8S67 T73 Y74S67-L71 PolarHBondContact O-N 2.98Å; L71-T73 PolarHBondContact O-N 3.4Å; L71-T73 VanDerWaalsContact O-N 3.14Å; L71-Y74 PolarHBondContact O-N 2.9Å
72D42.4Very low55.4Low127 Ų12771.3 Ų71.368%0.67936%0.361SS*.G310 helixtrans-58.7-17.7170.8-66.8-18.3000112.9N70 Y74 G411N70-D72 PolarHBondContact O-N 3.08Å; D72-Y74 VanDerWaalsContact C-N 3.34Å; D72-G411 WeakPolarHBondContact OD1-CA 3.49Å
73T45.4Very low56.4Low75 Ų7570.8 Ų70.846%0.4636%0.359SS..G310 helixtrans-93.725.7176.256.70000114N70 L71 D75N70-T73 PolarHBondContact O-N 3.5Å; N70-T73 PolarHBondContact O-OG1 2.81Å; L71-T73 PolarHBondContact O-N 3.4Å; L71-T73 VanDerWaalsContact O-N 3.14Å; T73-D75 PolarHBondContact O-N 2.97Å
74Y48.4Very low57.4Low29 Ų2969.2 Ų69.211%0.11436%0.357CS..  trans-72.448.3166.4-144.5-78.8000111.3L71 D72 D76 E132 T325L71-Y74 PolarHBondContact O-N 2.9Å; D72-Y74 VanDerWaalsContact C-N 3.34Å; Y74-D76 VanDerWaalsContact C-N 3.27Å; Y74-D76 HydrophobicContact CD1-CB 4.13Å; Y74-D76 HydrophobicContact CE1-CB 3.92Å; Y74-D76 PolarHBondContact O-N 2.87Å; Y74-E132 PolarHBondContact OH-O 2.61Å; Y74-E132 VanDerWaalsContact OH-O 3.12Å; Y74-T325 HydrophobicContact CD1-CG2 4.15Å; Y74-T325 HydrophobicContact CE1-CG2 3.98Å
75D52.3Low58.5Low116 Ų11670.4 Ų70.462%0.6236%0.359SS*.  trans-89.275.9165.1-161.213000107.5T73 D77T73-D75 PolarHBondContact O-N 2.97Å; D75-D77 PolarHBondContact O-N 2.84Å
76D58.8Low59.5Low64 Ų6470.5 Ų70.534%0.34236%0.36SS..  trans-85.319.5178.9-130.615.4000110.8Y74 L78 R134Y74-D76 VanDerWaalsContact C-N 3.27Å; Y74-D76 HydrophobicContact CD1-CB 4.13Å; Y74-D76 HydrophobicContact CE1-CB 3.92Å; Y74-D76 PolarHBondContact O-N 2.87Å; D76-L78 PolarHBondContact O-N 3.39Å; D76-L78 VanDerWaalsContact O-N 3.14Å; D76-R134 IonicContact OD1-CZ 3.86Å; D76-R134 IonicContact OD1-NH2 3.58Å; D76-R134 PolarHBondContact OD1-NH2 3.49Å
77D67.8Low60.3Low55 Ų5573.1 Ų73.129%0.29437%0.371SS..  trans-68.3111.2177.8-77.714.1000108.6D75 I79 E121 K126 R127D75-D77 PolarHBondContact O-N 2.84Å; D77-I79 PolarHBondContact O-N 3.44Å; D77-E121 VanDerWaalsContact CA-OE1 3.27Å; D77-E121 WeakPolarHBondContact CA-OE1 3.27Å; D77-K126 IonicContact OD1-NZ 3.22Å; D77-K126 PolarHBondContact OD1-NZ 2.89Å; D77-R127 IonicContact OD1-NH2 3.82Å
78L70.8Confident61.1Low145 Ų14574.9 Ų74.976%0.75940%0.396SS*.SBendtrans-65.6-30.1179.2179.968000110.9D76 E121D76-L78 PolarHBondContact O-N 3.39Å; D76-L78 VanDerWaalsContact O-N 3.14Å; L78-E121 PolarHBondContact N-OE1 2.75Å; L78-E121 PolarHBondContact N-OE2 3.05Å; L78-E121 VanDerWaalsContact N-OE2 3.09Å
79I77.3Confident62.2Low32 Ų3271.2 Ų71.216%0.16438%0.381CS..SBendtrans-118.6120.2-174-57.2176.8000109.7D77 R81 E117 I120 E121D77-I79 PolarHBondContact O-N 3.44Å; I79-R81 HydrophobicContact CG2-CG 4.49Å; I79-R81 PolarHBondContact O-N 3.02Å; I79-R81 VanDerWaalsContact O-N 3.1Å; I79-E117 HydrophobicContact CD1-CB 4.3Å; I79-E117 HydrophobicContact CD1-CG 4.35Å; I79-E117 HydrophobicContact CG2-CB 4.25Å; I79-E117 HydrophobicContact CG2-CG 3.84Å; I79-I120 HydrophobicContact CD1-CB 3.9Å; I79-I120 HydrophobicContact CD1-CD1 4.36Å; I79-I120 HydrophobicContact CD1-CG2 3.73Å; I79-E121 HydrophobicContact CD1-CB 4.38Å; I79-E121 PolarHBondContact N-OE2 3.24Å; I79-E121 VanDerWaalsContact N-OE2 3.16Å
80E76Confident63.5Low157 Ų15764 Ų6473%0.73435%0.349SS*.  trans-69.9106.2167.8-167.8-171.1157.800109.7K93E80-K93 IonicContact OE1-NZ 3.12Å; E80-K93 PolarHBondContact OE1-NZ 3.22Å
81R77.4Confident64.9Low43 Ų4365.9 Ų65.916%0.16235%0.353CS..  trans-83.8132.2-178.1-60.9-174.8-155-160.41111.7I79 K93 E121I79-R81 HydrophobicContact CG2-CG 4.49Å; I79-R81 PolarHBondContact O-N 3.02Å; I79-R81 VanDerWaalsContact O-N 3.1Å; R81-K93 WeakPolarHBondContact O-CE 3.22Å; R81-K93 PolarHBondContact O-NZ 3.45Å; R81-E121 PolarHBondContact NH2-O 2.95Å; R81-E121 IonicContact NH2-OE2 2.63Å
82D73.1Confident66.3Low31 Ų3166.6 Ų66.617%0.16636%0.359CS..SBendtrans-82.7-31.8172.5-69.6-27.2000113.1K93 L96 Y110 K113D82-K93 PolarHBondContact O-N 2.95Å; D82-K93 VanDerWaalsContact O-N 3.16Å; D82-K93 IonicContact OD1-NZ 2.68Å; D82-K93 PolarHBondContact OD1-NZ 3.45Å; D82-K93 VanDerWaalsContact OD1-NZ 3.12Å; D82-L96 HydrophobicContact CB-CD1 3.4Å; D82-L96 VanDerWaalsContact CB-CD1 3.4Å; D82-Y110 WeakPolarHBondContact CB-OH 3.34Å; D82-Y110 PolarHBondContact OD2-OH 3.34Å; D82-K113 IonicContact OD2-NZ 2.76Å; D82-K113 PolarHBondContact OD2-NZ 3.45Å; D82-K113 VanDerWaalsContact OD2-NZ 3.12Å
83I71.6Confident67.8Low24 Ų2463.2 Ų63.212%0.12334%0.338CS..EExtended strand (participates in β ladder)trans-121.7123.1178.5-60.7-162000108.4V90 K91 V92 Y110I83-V90 HydrophobicContact CG2-CG1 3.16Å; I83-K91 WeakPolarHBondContact CA-O 3.41Å; I83-V92 HydrophobicContact CD1-CG2 4.2Å; I83-V92 HydrophobicContact CG1-CG1 4.46Å; I83-V92 HydrophobicContact CG1-CG2 4.08Å; I83-V92 HydrophobicContact CG2-CG2 4.41Å; I83-Y110 HydrophobicContact CD1-CD1 3.71Å; I83-Y110 HydrophobicContact CD1-CE1 3.39Å; I83-Y110 HydrophobicContact CG1-CD1 4.43Å; I83-Y110 HydrophobicContact CG1-CE1 3.66Å
84Q72.6Confident69Low89 Ų8968.1 Ų68.142%0.41636%0.358SS..EExtended strand (participates in β ladder)trans-113.4120.8172.5-160.617723.900109.9K91Q84-K91 HydrophobicContact CB-CB 4.42Å; Q84-K91 PolarHBondContact N-O 2.83Å; Q84-K91 PolarHBondContact O-N 2.78Å
85L69.6Low70.1Confident70 Ų7073.6 Ų73.637%0.36638%0.384SS..EExtended strand (participates in β ladder)trans-69.4136171.5-58.2178.5000108.9V90 W417 Q434L85-V90 HydrophobicContact CD2-CG1 4.41Å; L85-V90 HydrophobicContact CD2-CG2 3.92Å; L85-W417 HydrophobicContact CB-CH2 4.24Å; L85-W417 HydrophobicContact CB-CZ2 4.09Å; L85-W417 WeakPolarHBondContact O-CZ2 3.46Å; L85-Q434 HydrophobicContact CD2-CG 3.99Å
86T68.6Low70.9Confident16 Ų1671 Ų7110%0.09837%0.37CS..EExtended strand (participates in β ladder)trans-131.6169.5175.463.50000109.2G88 G89 K91T86-G88 VanDerWaalsContact C-N 3.3Å; T86-G88 PolarHBondContact O-N 3.44Å; T86-G89 CarbonylContact C-O 3.38Å; T86-G89 PolarHBondContact N-O 3.36Å; T86-G89 PolarHBondContact O-N 2.67Å; T86-G89 PolarHBondContact OG1-N 3.11Å; T86-G89 PolarHBondContact OG1-O 3Å; T86-K91 HydrophobicContact CG2-CB 4.49Å; T86-K91 HydrophobicContact CG2-CD 3.9Å; T86-K91 HydrophobicContact CG2-CG 3.93Å
87E63.7Low71.5Confident83 Ų8370.4 Ų70.439%0.38837%0.368SS..THydrogen-bonded Turntrans-63.8-37.9176.8-159.8-169.5-170.900112.4G89 K329 L430E87-G89 VanDerWaalsContact C-N 3.27Å; E87-G89 PolarHBondContact O-N 3.06Å; E87-K329 IonicContact OE1-NZ 3.28Å; E87-K329 PolarHBondContact OE1-NZ 2.92Å; E87-K329 IonicContact OE2-NZ 3.68Å; E87-K329 PolarHBondContact OE2-NZ 3.31Å; E87-L430 HydrophobicContact CB-CD2 4.2Å; E87-L430 HydrophobicContact CG-CD2 3.38Å
88G64.7Low71.6Confident80 Ų8069.6 Ų69.683%0.82537%0.366SS*.THydrogen-bonded Turntrans-81.10.8-178.800000114.8T86T86-G88 VanDerWaalsContact C-N 3.3Å; T86-G88 PolarHBondContact O-N 3.44Å
89G70.4Confident71.6Confident5 Ų570.8 Ų70.85%0.05237%0.373CS..EExtended strand (participates in β ladder)trans136-131.6-17600000111.4T86 E87T86-G89 CarbonylContact C-O 3.38Å; T86-G89 PolarHBondContact N-O 3.36Å; T86-G89 PolarHBondContact O-N 2.67Å; T86-G89 PolarHBondContact OG1-N 3.11Å; T86-G89 PolarHBondContact OG1-O 3Å; E87-G89 VanDerWaalsContact C-N 3.27Å; E87-G89 PolarHBondContact O-N 3.06Å
90V73.1Confident71.3Confident16 Ų1676 Ų7610%0.09740%0.397CS..EExtended strand (participates in β ladder)trans-132.2129.4-172.1-176.50000108.9I83 L85 V92 Q434 Y437I83-V90 HydrophobicContact CG2-CG1 3.16Å; L85-V90 HydrophobicContact CD2-CG1 4.41Å; L85-V90 HydrophobicContact CD2-CG2 3.92Å; V90-V92 HydrophobicContact CG1-CG2 3.88Å; V90-Q434 HydrophobicContact CG2-CB 4.31Å; V90-Q434 HydrophobicContact CG2-CG 4.18Å; V90-Y437 HydrophobicContact CB-CD1 3.42Å; V90-Y437 VanDerWaalsContact CB-CD1 3.42Å; V90-Y437 HydrophobicContact CB-CD2 4.07Å; V90-Y437 HydrophobicContact CB-CE1 3.58Å; V90-Y437 HydrophobicContact CB-CE2 4.21Å; V90-Y437 HydrophobicContact CB-CG 3.66Å; V90-Y437 HydrophobicContact CG1-CD1 4.07Å; V90-Y437 HydrophobicContact CG1-CE1 3.88Å; V90-Y437 HydrophobicContact CG2-CD1 3.64Å; V90-Y437 HydrophobicContact CG2-CE1 4.29Å; V90-Y437 HydrophobicContact CG2-CG 3.79Å; V90-Y437 WeakPolarHBondContact O-CE2 3.43Å
91K74.3Confident71.4Confident110 Ų11073.9 Ų73.948%0.47838%0.382SS..EExtended strand (participates in β ladder)trans-93123.5168.4-74.6-179.6178.7171.50108.2I83 Q84 T86I83-K91 WeakPolarHBondContact CA-O 3.41Å; Q84-K91 HydrophobicContact CB-CB 4.42Å; Q84-K91 PolarHBondContact N-O 2.83Å; Q84-K91 PolarHBondContact O-N 2.78Å; T86-K91 HydrophobicContact CG2-CB 4.49Å; T86-K91 HydrophobicContact CG2-CD 3.9Å; T86-K91 HydrophobicContact CG2-CG 3.93Å
92V73.1Confident71.5Confident32 Ų3272.5 Ų72.519%0.19438%0.381CS..EExtended strand (participates in β ladder)trans-117.2138176-179.20000107.5I83 V90 M94 L96 V97 Y437I83-V92 HydrophobicContact CD1-CG2 4.2Å; I83-V92 HydrophobicContact CG1-CG1 4.46Å; I83-V92 HydrophobicContact CG1-CG2 4.08Å; I83-V92 HydrophobicContact CG2-CG2 4.41Å; V90-V92 HydrophobicContact CG1-CG2 3.88Å; V92-M94 PolarHBondContact O-N 2.98Å; V92-L96 HydrophobicContact CG1-CB 3.77Å; V92-V97 HydrophobicContact CB-CG2 4.35Å; V92-V97 HydrophobicContact CG1-CG2 4.26Å; V92-Y437 HydrophobicContact CG2-CE1 3.8Å; V92-Y437 WeakPolarHBondContact CG2-OH 3.41Å
93K74.6Confident72Confident56 Ų5676.9 Ų76.924%0.24340%0.399CS..  trans-57.4136.1173.8-64.8-179.7-174.7157.70109.4E80 R81 D82 H95 L96E80-K93 IonicContact OE1-NZ 3.12Å; E80-K93 PolarHBondContact OE1-NZ 3.22Å; R81-K93 WeakPolarHBondContact O-CE 3.22Å; R81-K93 PolarHBondContact O-NZ 3.45Å; D82-K93 PolarHBondContact O-N 2.95Å; D82-K93 VanDerWaalsContact O-N 3.16Å; D82-K93 IonicContact OD1-NZ 2.68Å; D82-K93 PolarHBondContact OD1-NZ 3.45Å; D82-K93 VanDerWaalsContact OD1-NZ 3.12Å; K93-H95 PolarHBondContact O-N 3.16Å; K93-H95 VanDerWaalsContact O-N 3.08Å; K93-L96 HydrophobicContact CB-CD1 4.15Å; K93-L96 WeakPolarHBondContact O-CB 3.4Å; K93-L96 PolarHBondContact O-N 3.27Å
94M70.1Confident72.4Confident178 Ų17881.1 Ų81.188%0.87741%0.413SS*.G310 helixtrans-52.6-38.3-171.9-81.6-172.4147.600113.9V92 L96 V97V92-M94 PolarHBondContact O-N 2.98Å; M94-L96 PolarHBondContact O-N 3.2Å; M94-V97 PolarHBondContact O-N 3.25Å
95H71.6Confident73Confident143 Ų14384.2 Ų84.266%0.66243%0.432SS*.G310 helixtrans-69.4-10.7-179.571.8-88.9000114.5K93K93-H95 PolarHBondContact O-N 3.16Å; K93-H95 VanDerWaalsContact O-N 3.08Å
96L70.3Confident73.5Confident61 Ų6185.8 Ų85.832%0.31944%0.437SS..G310 helixtrans-104.4-4.4178.3-60.8170.7000112.6D82 V92 K93 M94 P98 Y110D82-L96 HydrophobicContact CB-CD1 3.4Å; D82-L96 VanDerWaalsContact CB-CD1 3.4Å; V92-L96 HydrophobicContact CG1-CB 3.77Å; K93-L96 HydrophobicContact CB-CD1 4.15Å; K93-L96 WeakPolarHBondContact O-CB 3.4Å; K93-L96 PolarHBondContact O-N 3.27Å; M94-L96 PolarHBondContact O-N 3.2Å; L96-P98 VanDerWaalsContact O-CD 3.31Å; L96-P98 WeakPolarHBondContact O-CD 3.44Å; L96-Y110 WeakPolarHBondContact CD1-OH 3.49Å
97V71.4Confident74.1Confident52 Ų5286.9 Ų86.932%0.31544%0.44SS..SBendtrans-72.1117.1174.4-177.20000107.2V92 M94 D99 Y441V92-V97 HydrophobicContact CB-CG2 4.35Å; V92-V97 HydrophobicContact CG1-CG2 4.26Å; M94-V97 PolarHBondContact O-N 3.25Å; V97-D99 PolarHBondContact O-N 2.93Å; V97-Y441 HydrophobicContact CG1-CE1 3.8Å
98P69Low75Confident38 Ų3886 Ų8625%0.24744%0.441CS..  trans-70.1134.4-175.926.6-32.4000111L96 Q100 Y441L96-P98 VanDerWaalsContact O-CD 3.31Å; L96-P98 WeakPolarHBondContact O-CD 3.44Å; P98-Q100 VanDerWaalsContact C-N 3.29Å; P98-Q100 PolarHBondContact O-N 2.86Å; P98-Y441 HydrophobicContact CG-CD1 3.72Å; P98-Y441 HydrophobicContact CG-CE1 4.36Å
99D70.7Confident75.9Confident170 Ų17087.7 Ų87.791%0.90943%0.43SS*.SBendtrans-62.3-36.6178.2-64.1-38.1000112.6V97V97-D99 PolarHBondContact O-N 2.93Å
100Q71.5Confident76.4Confident141 Ų14190.4 Ų90.466%0.65944%0.439SS*.SBendtrans-111.4128178.5-70.7-176.9-15.700110.6P98P98-Q100 VanDerWaalsContact C-N 3.29Å; P98-Q100 PolarHBondContact O-N 2.86Å
101R78.1Confident76.7Confident114 Ų11493.3 Ų93.343%0.4345%0.454SS..  trans-72.7146169.7-62.7-179-178.9177.63.5110.5Q440 I443R101-Q440 VanDerWaalsContact CD-O 3.3Å; R101-Q440 WeakPolarHBondContact CD-O 3.39Å; R101-I443 WeakPolarHBondContact CB-O 3.45Å
102G80.2Confident77.3Confident13 Ų1391.9 Ų91.913%0.13445%0.454CS..SBendtrans140.8145.9179.200000111.3R104 Y107 Y441 V442G102-R104 PolarHBondContact O-N 3.33Å; G102-Y107 WeakPolarHBondContact O-CE2 3.2Å; G102-Y441 PolarHBondContact N-O 3.07Å; G102-V442 CarbonylContact C-O 3.58Å; G102-V442 WeakPolarHBondContact CA-O 3.28Å
103F82.4Confident78Confident123 Ų12394 Ų9454%0.53946%0.46SS..  trans-59.5130.2179.4177.8-102.7000111.6P108 V442F103-P108 HydrophobicContact CE2-CG 4.14Å; F103-P108 HydrophobicContact CZ-CG 4.42Å; F103-V442 HydrophobicContact CB-CG1 4.08Å; F103-V442 HydrophobicContact CD2-CG1 4.11Å; F103-V442 PolarHBondContact N-O 2.92Å
104R81.2Confident78.4Confident114 Ų11492.3 Ų92.343%0.4346%0.456SS..  trans-118.2142.3166.1-60.4-172.5177.2-174.5-3.4109.5G102 H106 Y107G102-R104 PolarHBondContact O-N 3.33Å; R104-H106 PolarHBondContact O-N 2.92Å; R104-Y107 HydrophobicContact CB-CD1 3.92Å; R104-Y107 HydrophobicContact CB-CD2 4.2Å; R104-Y107 HydrophobicContact CB-CE1 3.69Å; R104-Y107 HydrophobicContact CB-CE2 4Å; R104-Y107 HydrophobicContact CB-CG 4.17Å; R104-Y107 WeakPolarHBondContact CD-OH 3.46Å; R104-Y107 HydrophobicContact CG-CE1 3.97Å; R104-Y107 HydrophobicContact CG-CE2 4.06Å; R104-Y107 WeakPolarHBondContact O-CB 3.44Å; R104-Y107 PolarHBondContact O-N 3.36Å
105L83.6Confident79.1Confident154 Ų15485.4 Ų85.481%0.80643%0.43SS*.THydrogen-bonded Turntrans-56.7-28-175-174.162.6000113.7P108L105-P108 WeakPolarHBondContact O-CD 3.19Å
106H82Confident80Confident103 Ų10382.7 Ų82.748%0.47742%0.42SS..THydrogen-bonded Turntrans-86-3.8179.868.5-94.9000114.6R104 I109 Y110R104-H106 PolarHBondContact O-N 2.92Å; H106-I109 HydrophobicContact CB-CG2 4.17Å; H106-I109 WeakPolarHBondContact O-CG2 3.24Å; H106-I109 PolarHBondContact O-N 3.34Å; H106-Y110 PolarHBondContact O-N 3.48Å
107Y79.2Confident80.8Confident38 Ų3880.5 Ų80.515%0.14941%0.408CS..Hα-helixtrans-64.3-41.4-179.8-68.7-11.7000114G102 R104 I109 Y110 L111G102-Y107 WeakPolarHBondContact O-CE2 3.2Å; R104-Y107 HydrophobicContact CB-CD1 3.92Å; R104-Y107 HydrophobicContact CB-CD2 4.2Å; R104-Y107 HydrophobicContact CB-CE1 3.69Å; R104-Y107 HydrophobicContact CB-CE2 4Å; R104-Y107 HydrophobicContact CB-CG 4.17Å; R104-Y107 WeakPolarHBondContact CD-OH 3.46Å; R104-Y107 HydrophobicContact CG-CE1 3.97Å; R104-Y107 HydrophobicContact CG-CE2 4.06Å; R104-Y107 WeakPolarHBondContact O-CB 3.44Å; R104-Y107 PolarHBondContact O-N 3.36Å; Y107-I109 VanDerWaalsContact C-N 3.34Å; Y107-I109 PolarHBondContact O-N 2.89Å; Y107-Y110 WeakPolarHBondContact O-CB 3.41Å; Y107-Y110 PolarHBondContact O-N 3.2Å; Y107-Y110 VanDerWaalsContact O-N 3.15Å; Y107-L111 PolarHBondContact O-N 2.91Å; Y107-L111 VanDerWaalsContact O-N 3.13Å
108P82.9Confident81.4Confident64 Ų6479.8 Ų79.842%0.41641%0.407SS..Hα-helixtrans-59.7-40.9176.9-25.936.3000113.2F103 L105 Y110 L111 V112F103-P108 HydrophobicContact CE2-CG 4.14Å; F103-P108 HydrophobicContact CZ-CG 4.42Å; L105-P108 WeakPolarHBondContact O-CD 3.19Å; P108-Y110 PolarHBondContact O-N 3.46Å; P108-L111 PolarHBondContact O-N 2.88Å; P108-V112 WeakPolarHBondContact O-CG2 3.23Å; P108-V112 PolarHBondContact O-N 3.21Å
109I85Confident82.2Confident116 Ų11684.8 Ų84.860%0.59543%0.43SS*.Hα-helixtrans-64.9-31.6179.3-169.864.7000111.4H106 Y107 V112 K113H106-I109 HydrophobicContact CB-CG2 4.17Å; H106-I109 WeakPolarHBondContact O-CG2 3.24Å; H106-I109 PolarHBondContact O-N 3.34Å; Y107-I109 VanDerWaalsContact C-N 3.34Å; Y107-I109 PolarHBondContact O-N 2.89Å; I109-V112 PolarHBondContact O-N 3.32Å; I109-K113 PolarHBondContact O-N 3.35Å
110Y80.3Confident82.9Confident62 Ų6281.9 Ų81.924%0.24341%0.414CS..Hα-helixtrans-69.4-40.3175.7-159.4-109.3000112.6D82 I83 L96 H106 Y107 P108 V112 K113 C114D82-Y110 WeakPolarHBondContact CB-OH 3.34Å; D82-Y110 PolarHBondContact OD2-OH 3.34Å; I83-Y110 HydrophobicContact CD1-CD1 3.71Å; I83-Y110 HydrophobicContact CD1-CE1 3.39Å; I83-Y110 HydrophobicContact CG1-CD1 4.43Å; I83-Y110 HydrophobicContact CG1-CE1 3.66Å; L96-Y110 WeakPolarHBondContact CD1-OH 3.49Å; H106-Y110 PolarHBondContact O-N 3.48Å; Y107-Y110 WeakPolarHBondContact O-CB 3.41Å; Y107-Y110 PolarHBondContact O-N 3.2Å; Y107-Y110 VanDerWaalsContact O-N 3.15Å; P108-Y110 PolarHBondContact O-N 3.46Å; Y110-V112 VanDerWaalsContact C-N 3.32Å; Y110-V112 PolarHBondContact O-N 3.39Å; Y110-K113 HydrophobicContact CD2-CD 4.25Å; Y110-K113 HydrophobicContact CE2-CD 4.13Å; Y110-K113 WeakPolarHBondContact O-CB 3.29Å; Y110-K113 PolarHBondContact O-N 3.33Å; Y110-C114 PolarHBondContact O-N 3.1Å; Y110-C114 PolarHBondContact O-SG 3.05Å
111L80.2Confident83.4Confident78 Ų7875.9 Ų75.941%0.40839%0.386SS..Hα-helixtrans-64.7-37.7172.7-65.1174.4000111.8Y107 P108 C114 G115 V438Y107-L111 PolarHBondContact O-N 2.91Å; Y107-L111 VanDerWaalsContact O-N 3.13Å; P108-L111 PolarHBondContact O-N 2.88Å; L111-C114 PolarHBondContact O-N 3.35Å; L111-G115 PolarHBondContact O-N 3.43Å; L111-V438 HydrophobicContact CD1-CG1 3.93Å; L111-V438 HydrophobicContact CD2-CG2 3.99Å
112V86.6Confident83.7Confident79 Ų7973.7 Ų73.748%0.47938%0.383SS..Hα-helixtrans-64.3-44.7174172.80000110.9P108 I109 Y110 C114 G115 I116P108-V112 WeakPolarHBondContact O-CG2 3.23Å; P108-V112 PolarHBondContact O-N 3.21Å; I109-V112 PolarHBondContact O-N 3.32Å; Y110-V112 VanDerWaalsContact C-N 3.32Å; Y110-V112 PolarHBondContact O-N 3.39Å; V112-C114 VanDerWaalsContact C-N 3.35Å; V112-C114 PolarHBondContact O-N 3.05Å; V112-G115 PolarHBondContact O-N 3.21Å; V112-G115 VanDerWaalsContact O-N 3.15Å; V112-I116 HydrophobicContact CG1-CD1 3.88Å; V112-I116 HydrophobicContact CG1-CG1 4.4Å; V112-I116 WeakPolarHBondContact O-CG1 3.5Å; V112-I116 PolarHBondContact O-N 3.36Å
113K87.9Confident83.6Confident76 Ų7673.8 Ų73.833%0.3338%0.381SS..Hα-helixtrans-52.5-52.9171.6173.9-171.8-177.5-90.80110.4D82 I109 Y110 G115 I116 E117D82-K113 IonicContact OD2-NZ 2.76Å; D82-K113 PolarHBondContact OD2-NZ 3.45Å; D82-K113 VanDerWaalsContact OD2-NZ 3.12Å; I109-K113 PolarHBondContact O-N 3.35Å; Y110-K113 HydrophobicContact CD2-CD 4.25Å; Y110-K113 HydrophobicContact CE2-CD 4.13Å; Y110-K113 WeakPolarHBondContact O-CB 3.29Å; Y110-K113 PolarHBondContact O-N 3.33Å; K113-G115 VanDerWaalsContact C-N 3.26Å; K113-G115 PolarHBondContact O-N 2.9Å; K113-I116 PolarHBondContact O-N 2.87Å; K113-I116 VanDerWaalsContact O-N 3.08Å; K113-E117 WeakPolarHBondContact CE-OE1 3.41Å; K113-E117 HydrophobicContact CG-CG 4.35Å; K113-E117 WeakPolarHBondContact CG-OE1 3.38Å; K113-E117 IonicContact NZ-OE1 2.6Å; K113-E117 PolarHBondContact NZ-OE1 3.25Å; K113-E117 IonicContact NZ-OE2 2.74Å; K113-E117 VanDerWaalsContact O-CG 3.31Å; K113-E117 WeakPolarHBondContact O-CG 3.3Å; K113-E117 PolarHBondContact O-N 3.35Å
114C82.2Confident83.8Confident21 Ų2168.5 Ų68.514%0.14236%0.359CS..Hα-helixtrans-59.2-38.2179.5-620000112.4Y110 L111 V112 A118Y110-C114 PolarHBondContact O-N 3.1Å; Y110-C114 PolarHBondContact O-SG 3.05Å; L111-C114 PolarHBondContact O-N 3.35Å; V112-C114 VanDerWaalsContact C-N 3.35Å; V112-C114 PolarHBondContact O-N 3.05Å; C114-A118 WeakPolarHBondContact O-CB 3.27Å; C114-A118 PolarHBondContact O-N 3.39Å
115G85.6Confident83.9Confident33 Ų3366.3 Ų66.334%0.3436%0.358SS..Hα-helixtrans-64.1-44.3174.300000112.7L111 V112 K113 A118 I119L111-G115 PolarHBondContact O-N 3.43Å; V112-G115 PolarHBondContact O-N 3.21Å; V112-G115 VanDerWaalsContact O-N 3.15Å; K113-G115 VanDerWaalsContact C-N 3.26Å; K113-G115 PolarHBondContact O-N 2.9Å; G115-A118 PolarHBondContact O-N 3.12Å; G115-I119 VanDerWaalsContact O-CG1 3.3Å; G115-I119 WeakPolarHBondContact O-CG1 3.39Å; G115-I119 PolarHBondContact O-N 3.34Å; G115-I119 VanDerWaalsContact O-N 3.08Å
116I89.7Confident84Confident86 Ų8661.1 Ų61.144%0.44133%0.329SS..Hα-helixtrans-63.9-44176.1-67.8169.2000110.5V112 K113 A118 I119 I120V112-I116 HydrophobicContact CG1-CD1 3.88Å; V112-I116 HydrophobicContact CG1-CG1 4.4Å; V112-I116 WeakPolarHBondContact O-CG1 3.5Å; V112-I116 PolarHBondContact O-N 3.36Å; K113-I116 PolarHBondContact O-N 2.87Å; K113-I116 VanDerWaalsContact O-N 3.08Å; I116-A118 VanDerWaalsContact C-N 3.31Å; I116-A118 PolarHBondContact O-N 3.49Å; I116-I119 PolarHBondContact O-N 2.99Å; I116-I119 VanDerWaalsContact O-N 3.08Å; I116-I120 HydrophobicContact CG2-CD1 3.62Å; I116-I120 HydrophobicContact CG2-CG1 4.17Å; I116-I120 WeakPolarHBondContact O-CG1 3.45Å; I116-I120 PolarHBondContact O-N 3.15Å
117E87.7Confident84.2Confident16 Ų1656.7 Ų56.78%0.07531%0.308CS..Hα-helixtrans-58.7-42.3176.4-68.7174.1168.800111.8I79 K113 I119 I120 E121I79-E117 HydrophobicContact CD1-CB 4.3Å; I79-E117 HydrophobicContact CD1-CG 4.35Å; I79-E117 HydrophobicContact CG2-CB 4.25Å; I79-E117 HydrophobicContact CG2-CG 3.84Å; K113-E117 WeakPolarHBondContact CE-OE1 3.41Å; K113-E117 HydrophobicContact CG-CG 4.35Å; K113-E117 WeakPolarHBondContact CG-OE1 3.38Å; K113-E117 IonicContact NZ-OE1 2.6Å; K113-E117 PolarHBondContact NZ-OE1 3.25Å; K113-E117 IonicContact NZ-OE2 2.74Å; K113-E117 VanDerWaalsContact O-CG 3.31Å; K113-E117 WeakPolarHBondContact O-CG 3.3Å; K113-E117 PolarHBondContact O-N 3.35Å; E117-I119 VanDerWaalsContact C-N 3.3Å; E117-I119 PolarHBondContact O-N 2.78Å; E117-I120 PolarHBondContact O-N 3Å; E117-E121 PolarHBondContact O-N 2.74Å
118A82.9Confident84.6Confident37 Ų3755.1 Ų55.131%0.30630%0.302SS..Hα-helixtrans-69.2-24.8176.500000113.7C114 G115 I116 E121 D122C114-A118 WeakPolarHBondContact O-CB 3.27Å; C114-A118 PolarHBondContact O-N 3.39Å; G115-A118 PolarHBondContact O-N 3.12Å; I116-A118 VanDerWaalsContact C-N 3.31Å; I116-A118 PolarHBondContact O-N 3.49Å; A118-E121 CarbonylContact O-C 3.48Å; A118-D122 PolarHBondContact O-N 3.17Å
119I86.2Confident84.7Confident142 Ų14255.8 Ų55.873%0.72831%0.305SS*.Hα-helixtrans-79.5-45.4174.2-69.4165000110.9G115 I116 E117 E121G115-I119 VanDerWaalsContact O-CG1 3.3Å; G115-I119 WeakPolarHBondContact O-CG1 3.39Å; G115-I119 PolarHBondContact O-N 3.34Å; G115-I119 VanDerWaalsContact O-N 3.08Å; I116-I119 PolarHBondContact O-N 2.99Å; I116-I119 VanDerWaalsContact O-N 3.08Å; E117-I119 VanDerWaalsContact C-N 3.3Å; E117-I119 PolarHBondContact O-N 2.78Å; I119-E121 VanDerWaalsContact C-N 3.26Å; I119-E121 PolarHBondContact O-N 3.05Å
120I85.9Confident84.4Confident109 Ų10952 Ų5256%0.55929%0.291SS*.Hα-helixtrans-62.1-42177.4-66.5169.4000109.3I79 I116 E117I79-I120 HydrophobicContact CD1-CB 3.9Å; I79-I120 HydrophobicContact CD1-CD1 4.36Å; I79-I120 HydrophobicContact CD1-CG2 3.73Å; I116-I120 HydrophobicContact CG2-CD1 3.62Å; I116-I120 HydrophobicContact CG2-CG1 4.17Å; I116-I120 WeakPolarHBondContact O-CG1 3.45Å; I116-I120 PolarHBondContact O-N 3.15Å; E117-I120 PolarHBondContact O-N 3Å
121E81.9Confident84Confident16 Ų1649.7 Ų49.78%0.07529%0.285CS..SBendtrans-131.299.7-179.8-170.8171.4-161.200111D77 L78 I79 R81 E117 A118 I119 S123 K126D77-E121 VanDerWaalsContact CA-OE1 3.27Å; D77-E121 WeakPolarHBondContact CA-OE1 3.27Å; L78-E121 PolarHBondContact N-OE1 2.75Å; L78-E121 PolarHBondContact N-OE2 3.05Å; L78-E121 VanDerWaalsContact N-OE2 3.09Å; I79-E121 HydrophobicContact CD1-CB 4.38Å; I79-E121 PolarHBondContact N-OE2 3.24Å; I79-E121 VanDerWaalsContact N-OE2 3.16Å; R81-E121 PolarHBondContact NH2-O 2.95Å; R81-E121 IonicContact NH2-OE2 2.63Å; E117-E121 PolarHBondContact O-N 2.74Å; A118-E121 CarbonylContact O-C 3.48Å; I119-E121 VanDerWaalsContact C-N 3.26Å; I119-E121 PolarHBondContact O-N 3.05Å; E121-S123 PolarHBondContact O-N 2.79Å; E121-K126 HydrophobicContact CG-CD 4.46Å; E121-K126 IonicContact OE1-NZ 2.73Å; E121-K126 PolarHBondContact OE1-NZ 3.22Å
122D83.3Confident83.5Confident68 Ų6853.5 Ų53.536%0.36430%0.3SS..  trans-81.7111.4172.6-177.2-15.5000110A118 V124 T125 K126A118-D122 PolarHBondContact O-N 3.17Å; D122-V124 PolarHBondContact O-N 3.01Å; D122-V124 WeakPolarHBondContact OD1-CA 3.48Å; D122-V124 PolarHBondContact OD1-N 2.79Å; D122-T125 PolarHBondContact OD1-N 2.78Å; D122-T125 WeakPolarHBondContact OD2-CB 3.31Å; D122-T125 PolarHBondContact OD2-OG1 2.68Å; D122-K126 WeakPolarHBondContact O-CB 3.4Å; D122-K126 WeakPolarHBondContact O-CD 3.47Å; D122-K126 WeakPolarHBondContact O-CG 3.43Å; D122-K126 PolarHBondContact O-N 2.76Å
123S79.9Confident82.7Confident14 Ų1450.4 Ų50.410%0.09828%0.281CS..THydrogen-bonded Turntrans-70.2-17.9-17860.60000114E121 R127 M415E121-S123 PolarHBondContact O-N 2.79Å; S123-R127 WeakPolarHBondContact O-CG 3.16Å; S123-M415 WeakPolarHBondContact O-CE 3.34Å
124V84.8Confident81.6Confident13 Ų1350.2 Ų50.28%0.07928%0.278CS..THydrogen-bonded Turntrans-95.6-57.4-179.3-178.90000110.1D122 K126 R127 F128 W417 L421D122-V124 PolarHBondContact O-N 3.01Å; D122-V124 WeakPolarHBondContact OD1-CA 3.48Å; D122-V124 PolarHBondContact OD1-N 2.79Å; V124-K126 VanDerWaalsContact C-N 3.28Å; V124-K126 PolarHBondContact O-N 3.3Å; V124-R127 WeakPolarHBondContact O-CB 3.35Å; V124-R127 PolarHBondContact O-N 3Å; V124-F128 HydrophobicContact CG1-CE2 4.05Å; V124-F128 WeakPolarHBondContact O-CD2 3.42Å; V124-W417 HydrophobicContact CG2-CB 3.99Å; V124-W417 VanDerWaalsContact CG2-CD1 3.45Å; V124-W417 HydrophobicContact CG2-CD2 4.01Å; V124-W417 HydrophobicContact CG2-CG 3.54Å; V124-L421 HydrophobicContact CG1-CB 4.29Å
125T84.4Confident81Confident67 Ų6749.9 Ų49.941%0.41128%0.276SS..G310 helixtrans-65.1-31.2-172.8-55.20000112.4D122 R127 F128D122-T125 PolarHBondContact OD1-N 2.78Å; D122-T125 WeakPolarHBondContact OD2-CB 3.31Å; D122-T125 PolarHBondContact OD2-OG1 2.68Å; T125-R127 PolarHBondContact O-N 3.32Å; T125-R127 VanDerWaalsContact O-N 3.13Å; T125-F128 WeakPolarHBondContact O-CB 3.37Å; T125-F128 PolarHBondContact O-N 3.49Å
126K84.8Confident80.3Confident46 Ų4648.4 Ų48.420%0.226%0.26CS..G310 helixtrans-61.7-21175.477.7-178.5-175.6167.60114.1D77 E121 D122 V124 F128 T129 N323D77-K126 IonicContact OD1-NZ 3.22Å; D77-K126 PolarHBondContact OD1-NZ 2.89Å; E121-K126 HydrophobicContact CG-CD 4.46Å; E121-K126 IonicContact OE1-NZ 2.73Å; E121-K126 PolarHBondContact OE1-NZ 3.22Å; D122-K126 WeakPolarHBondContact O-CB 3.4Å; D122-K126 WeakPolarHBondContact O-CD 3.47Å; D122-K126 WeakPolarHBondContact O-CG 3.43Å; D122-K126 PolarHBondContact O-N 2.76Å; V124-K126 VanDerWaalsContact C-N 3.28Å; V124-K126 PolarHBondContact O-N 3.3Å; K126-F128 PolarHBondContact O-N 3.27Å; K126-T129 PolarHBondContact O-OG1 3.04Å; K126-N323 PolarHBondContact O-ND2 2.9Å; K126-N323 VanDerWaalsContact O-ND2 3.13Å
127R87.1Confident79.9Confident10 Ų1044.3 Ų44.34%0.03824%0.239CC..G310 helixtrans-79.3-9.3176.2-49.1-59.5178.3178.7-1.3112.5D77 S123 V124 T125 I322 N323 T325 S326 M328 M415D77-R127 IonicContact OD1-NH2 3.82Å; S123-R127 WeakPolarHBondContact O-CG 3.16Å; V124-R127 WeakPolarHBondContact O-CB 3.35Å; V124-R127 PolarHBondContact O-N 3Å; T125-R127 PolarHBondContact O-N 3.32Å; T125-R127 VanDerWaalsContact O-N 3.13Å; R127-I322 HydrophobicContact CB-CG2 4.15Å; R127-N323 WeakPolarHBondContact O-CB 3.38Å; R127-N323 PolarHBondContact O-N 3.48Å; R127-N323 PolarHBondContact O-OD1 3.32Å; R127-T325 WeakPolarHBondContact CD-OG1 3.41Å; R127-T325 PolarHBondContact NH1-OG1 2.94Å; R127-S326 WeakPolarHBondContact CD-OG 3.41Å; R127-S326 WeakPolarHBondContact CG-OG 3.41Å; R127-M328 HydrophobicContact CB-CE 3.39Å; R127-M328 HydrophobicContact CG-CE 3.65Å; R127-M415 HydrophobicContact CG-CE 4.34Å
128F87.3Confident79.5Confident5 Ų543.7 Ų43.72%0.02224%0.236CC..G310 helixtrans-106.314.2175.4-61.3-79.6000113.4V124 T125 K126 T320 I322 M328 F356 G419 K422V124-F128 HydrophobicContact CG1-CE2 4.05Å; V124-F128 WeakPolarHBondContact O-CD2 3.42Å; T125-F128 WeakPolarHBondContact O-CB 3.37Å; T125-F128 PolarHBondContact O-N 3.49Å; K126-F128 PolarHBondContact O-N 3.27Å; F128-T320 HydrophobicContact CE1-CG2 3.77Å; F128-T320 HydrophobicContact CZ-CG2 4.22Å; F128-I322 HydrophobicContact CD1-CD1 3.7Å; F128-I322 HydrophobicContact CE1-CD1 3.06Å; F128-I322 HydrophobicContact CE2-CD1 4.27Å; F128-I322 HydrophobicContact CZ-CD1 3.39Å; F128-M328 HydrophobicContact CE2-CE 4.22Å; F128-M328 HydrophobicContact CZ-CE 4.46Å; F128-F356 VanDerWaalsContact C-CE1 3.43Å; F128-F356 HydrophobicContact CB-CZ 4.42Å; F128-F356 WeakPolarHBondContact O-CE1 3.48Å; F128-F356 VanDerWaalsContact O-CZ 3.26Å; F128-F356 WeakPolarHBondContact O-CZ 3.36Å; F128-G419 WeakPolarHBondContact CZ-O 3.43Å; F128-K422 HydrophobicContact CB-CD 4.25Å; F128-K422 HydrophobicContact CB-CG 4.27Å; F128-K422 HydrophobicContact CD1-CB 4.18Å; F128-K422 HydrophobicContact CD1-CD 3.45Å; F128-K422 VanDerWaalsContact CD1-CD 3.45Å; F128-K422 HydrophobicContact CD1-CG 3.89Å; F128-K422 HydrophobicContact CD2-CB 4.09Å; F128-K422 HydrophobicContact CD2-CG 4.12Å; F128-K422 HydrophobicContact CE1-CB 3.92Å; F128-K422 HydrophobicContact CE1-CD 3.77Å; F128-K422 HydrophobicContact CE1-CG 4.13Å; F128-K422 HydrophobicContact CE2-CB 3.9Å; F128-K422 HydrophobicContact CE2-CG 4.41Å; F128-K422 HydrophobicContact CG-CB 4.21Å; F128-K422 HydrophobicContact CG-CD 3.86Å; F128-K422 HydrophobicContact CG-CG 3.83Å; F128-K422 HydrophobicContact CZ-CB 3.8Å; F128-K422 HydrophobicContact CZ-CG 4.41Å
129T84.9Confident79.4Confident77 Ų7742.5 Ų42.547%0.47222%0.224SC..SBendtrans-116.7152.317153.10000109.5K126 A131 N323K126-T129 PolarHBondContact O-OG1 3.04Å; T129-A131 PolarHBondContact O-N 3.33Å; T129-N323 WeakPolarHBondContact O-CB 3.32Å; T129-N323 PolarHBondContact O-ND2 3.39Å
130A79.7Confident78.5Confident37 Ų3739.3 Ų39.331%0.30622%0.215SC..PPolyproline II helixtrans-54.4131.4176.400000110.3E132 D354A130-E132 PolarHBondContact O-N 3.12Å; A130-D354 WeakPolarHBondContact CB-OD2 3.27Å
131A71.7Confident77.8Confident13 Ų1338.2 Ų38.211%0.10720%0.204CC..PPolyproline II helixtrans-67129.4177.500000110T129 R141 T325T129-A131 PolarHBondContact O-N 3.33Å; A131-R141 PolarHBondContact O-NH1 3.04Å; A131-T325 HydrophobicContact CB-CG2 3.88Å
132E68.8Low77.1Confident158 Ų15837.8 Ų37.874%0.73820%0.202SC*.PPolyproline II helixtrans-67.8137178.3-65.7-169.7175.100110.7Y74 A130Y74-E132 PolarHBondContact OH-O 2.61Å; Y74-E132 VanDerWaalsContact OH-O 3.12Å; A130-E132 PolarHBondContact O-N 3.12Å
133L70.7Confident76.2Confident14 Ų1436.8 Ų36.87%0.07320%0.195CC..PPolyproline II helixtrans-94.4134.8177.4-74.8173.6000109.7V135 N137 R141 Y145 P350L133-V135 VanDerWaalsContact C-N 3.34Å; L133-N137 WeakPolarHBondContact CD1-ND2 3.46Å; L133-R141 VanDerWaalsContact CD1-NH2 3.3Å; L133-Y145 PolarHBondContact O-OH 3.11Å; L133-P350 WeakPolarHBondContact CD1-O 3.4Å; L133-P350 HydrophobicContact CD2-CB 3.77Å; L133-P350 HydrophobicContact CD2-CG 3.81Å
134R65Low75.6Confident72 Ų7239.8 Ų39.827%0.27222%0.216SC..SBendtrans-83.3-18175.2-58.9176.2175.7-174.21.1112.3I62 D66 D76 Y145I62-R134 HydrophobicContact CG2-CB 4.04Å; D66-R134 WeakPolarHBondContact OD2-CB 3.39Å; D66-R134 PolarHBondContact OD2-N 2.93Å; D76-R134 IonicContact OD1-CZ 3.86Å; D76-R134 IonicContact OD1-NH2 3.58Å; D76-R134 PolarHBondContact OD1-NH2 3.49Å; R134-Y145 VanDerWaalsContact C-OH 3.23Å; R134-Y145 VanDerWaalsContact CA-OH 3.23Å; R134-Y145 WeakPolarHBondContact CA-OH 3.39Å; R134-Y145 PolarHBondContact O-OH 3.37Å
135V69Low74.6Confident14 Ų1442 Ų429%0.08522%0.224CC..SBendtrans-103138.5177.51670000112.1F46 S50 I62 D66 L133 N142 L351F46-V135 HydrophobicContact CB-CG1 4.39Å; S50-V135 VanDerWaalsContact OG-CG1 3.28Å; S50-V135 WeakPolarHBondContact OG-CG1 3.11Å; I62-V135 HydrophobicContact CG2-CG2 3.53Å; D66-V135 HydrophobicContact CB-CG2 4.22Å; D66-V135 WeakPolarHBondContact OD2-CG2 3.32Å; D66-V135 PolarHBondContact OD2-N 3.43Å; L133-V135 VanDerWaalsContact C-N 3.34Å; V135-N142 PolarHBondContact O-ND2 3.36Å; V135-L351 HydrophobicContact CB-CD1 3.97Å; V135-L351 HydrophobicContact CG1-CD1 3.53Å
136W71.5Confident73.5Confident2 Ų238.9 Ų38.91%0.00820%0.204CC..  trans-81.2126.9172.3-166.750.2000111.9A49 V53 F138 N142 Y145 V146 L156 W160A49-W136 HydrophobicContact CB-CE3 4.12Å; V53-W136 HydrophobicContact CG2-CE3 4.47Å; W136-F138 HydrophobicContact CD2-CD1 4.07Å; W136-F138 HydrophobicContact CD2-CE1 4.41Å; W136-F138 AromaticContact CE3-CD1 3.72Å; W136-F138 HydrophobicContact CE3-CD1 3.72Å; W136-F138 AromaticContact CE3-CE1 3.68Å; W136-F138 HydrophobicContact CE3-CE1 3.68Å; W136-F138 AromaticContact CH2-CD1 3.51Å; W136-F138 HydrophobicContact CH2-CD1 3.51Å; W136-F138 HydrophobicContact CH2-CE1 4.01Å; W136-F138 AromaticContact CZ2-CD1 3.87Å; W136-F138 HydrophobicContact CZ2-CD1 3.87Å; W136-F138 AromaticContact CZ3-CD1 3.4Å; W136-F138 HydrophobicContact CZ3-CD1 3.4Å; W136-F138 AromaticContact CZ3-CE1 3.42Å; W136-F138 HydrophobicContact CZ3-CE1 3.42Å; W136-F138 VanDerWaalsContact CZ3-CE1 3.42Å; W136-N142 WeakPolarHBondContact CA-ND2 3.34Å; W136-N142 PolarHBondContact NE1-O 3.21Å; W136-N142 VanDerWaalsContact NE1-O 3.16Å; W136-N142 PolarHBondContact NE1-OD1 2.93Å; W136-Y145 HydrophobicContact CB-CD2 4.42Å; W136-Y145 HydrophobicContact CB-CG 4.15Å; W136-Y145 HydrophobicContact CG-CG 4.42Å; W136-V146 HydrophobicContact CD2-CG2 4.48Å; W136-V146 HydrophobicContact CH2-CG2 3.67Å; W136-V146 HydrophobicContact CZ2-CG2 3.14Å; W136-L156 HydrophobicContact CE3-CB 4.47Å; W136-L156 HydrophobicContact CE3-CD2 3.68Å; W136-L156 HydrophobicContact CH2-CB 3.63Å; W136-L156 HydrophobicContact CH2-CD2 4.3Å; W136-L156 HydrophobicContact CH2-CG 4.48Å; W136-L156 VanDerWaalsContact CH2-O 3.24Å; W136-L156 WeakPolarHBondContact CH2-O 3.23Å; W136-L156 HydrophobicContact CZ3-CB 3.5Å; W136-L156 HydrophobicContact CZ3-CD2 3.28Å; W136-L156 HydrophobicContact CZ3-CG 3.87Å; W136-W160 HydrophobicContact CH2-CB 3.99Å; W136-W160 HydrophobicContact CZ2-CB 3.9Å; W136-W160 HydrophobicContact CZ2-CG 4.46Å
137N80Confident72.4Confident1 Ų143.7 Ų43.71%0.00522%0.222CC..  trans-125.717.5-173.973.20.5000112.9F46 L133 L139 N142 L351 W375F46-N137 HydrophobicContact CD1-CB 4.1Å; F46-N137 HydrophobicContact CD2-CB 4.19Å; F46-N137 HydrophobicContact CE1-CB 3.97Å; F46-N137 WeakPolarHBondContact CE1-O 3.44Å; F46-N137 HydrophobicContact CE2-CB 4.03Å; F46-N137 HydrophobicContact CG-CB 4.24Å; F46-N137 HydrophobicContact CZ-CB 3.94Å; L133-N137 WeakPolarHBondContact CD1-ND2 3.46Å; N137-L139 PolarHBondContact O-N 3.39Å; N137-L139 VanDerWaalsContact O-N 3.11Å; N137-L139 VanDerWaalsContact OD1-CB 3.26Å; N137-L139 WeakPolarHBondContact OD1-CB 3.26Å; N137-L139 VanDerWaalsContact OD1-CG 3.28Å; N137-L139 WeakPolarHBondContact OD1-CG 3.49Å; N137-L139 PolarHBondContact OD1-N 3.16Å; N137-L139 VanDerWaalsContact OD1-N 3.09Å; N137-N142 VanDerWaalsContact CG-ND2 3.27Å; N137-N142 PolarHBondContact N-ND2 3.07Å; N137-N142 VanDerWaalsContact OD1-CG 3.28Å; N137-N142 PolarHBondContact OD1-ND2 3.07Å; N137-N142 PolarHBondContact OD1-OD1 2.97Å; N137-N142 VanDerWaalsContact OD1-OD1 3.1Å; N137-L351 HydrophobicContact CB-CD1 4.28Å; N137-L351 PolarHBondContact ND2-O 3.4Å; N137-W375 PolarHBondContact O-NE1 3.17Å
138F80.4Confident71.3Confident2 Ų247.2 Ų47.21%0.00925%0.253CS..SBendtrans61.415.1-179.8-36-60.7000116.1L45 F46 A49 W136 L159 W160 R167 W375L45-F138 HydrophobicContact CB-CE2 4.4Å; L45-F138 HydrophobicContact CD2-CD2 4.25Å; L45-F138 HydrophobicContact CD2-CE2 3.48Å; L45-F138 VanDerWaalsContact CD2-CE2 3.48Å; L45-F138 HydrophobicContact CD2-CZ 4.19Å; L45-F138 HydrophobicContact CG-CE2 3.54Å; L45-F138 HydrophobicContact CG-CZ 3.85Å; F46-F138 AromaticContact CD1-CD2 3.81Å; F46-F138 HydrophobicContact CD1-CD2 3.81Å; F46-F138 AromaticContact CD1-CE2 3.46Å; F46-F138 HydrophobicContact CD1-CE2 3.46Å; F46-F138 VanDerWaalsContact CD1-CE2 3.46Å; F46-F138 HydrophobicContact CD1-CZ 4.3Å; F46-F138 AromaticContact CE1-CD2 3.57Å; F46-F138 HydrophobicContact CE1-CD2 3.57Å; F46-F138 AromaticContact CE1-CE2 3.67Å; F46-F138 HydrophobicContact CE1-CE2 3.67Å; A49-F138 HydrophobicContact CB-CE1 3.53Å; A49-F138 HydrophobicContact CB-CZ 3.5Å; A49-F138 VanDerWaalsContact CB-CZ 3.5Å; W136-F138 HydrophobicContact CD2-CD1 4.07Å; W136-F138 HydrophobicContact CD2-CE1 4.41Å; W136-F138 AromaticContact CE3-CD1 3.72Å; W136-F138 HydrophobicContact CE3-CD1 3.72Å; W136-F138 AromaticContact CE3-CE1 3.68Å; W136-F138 HydrophobicContact CE3-CE1 3.68Å; W136-F138 AromaticContact CH2-CD1 3.51Å; W136-F138 HydrophobicContact CH2-CD1 3.51Å; W136-F138 HydrophobicContact CH2-CE1 4.01Å; W136-F138 AromaticContact CZ2-CD1 3.87Å; W136-F138 HydrophobicContact CZ2-CD1 3.87Å; W136-F138 AromaticContact CZ3-CD1 3.4Å; W136-F138 HydrophobicContact CZ3-CD1 3.4Å; W136-F138 AromaticContact CZ3-CE1 3.42Å; W136-F138 HydrophobicContact CZ3-CE1 3.42Å; W136-F138 VanDerWaalsContact CZ3-CE1 3.42Å; F138-L159 HydrophobicContact CD1-CB 4.03Å; F138-L159 HydrophobicContact CE1-CB 3.74Å; F138-L159 HydrophobicContact CE1-CD1 3.98Å; F138-L159 HydrophobicContact CE1-CG 4.46Å; F138-L159 HydrophobicContact CZ-CB 4.35Å; F138-L159 HydrophobicContact CZ-CD1 4.28Å; F138-W160 VanDerWaalsContact O-CD1 3.28Å; F138-R167 PolarHBondContact O-NH2 3.44Å; F138-W375 HydrophobicContact CB-CZ2 4.16Å; F138-W375 HydrophobicContact CD2-CZ2 4.04Å
139L79.5Confident70.3Confident12 Ų1249.6 Ų49.66%0.06326%0.264CS..SBendtrans-82.3163167.2-60.9179.7000109.6N137 R141 N142N137-L139 PolarHBondContact O-N 3.39Å; N137-L139 VanDerWaalsContact O-N 3.11Å; N137-L139 VanDerWaalsContact OD1-CB 3.26Å; N137-L139 WeakPolarHBondContact OD1-CB 3.26Å; N137-L139 VanDerWaalsContact OD1-CG 3.28Å; N137-L139 WeakPolarHBondContact OD1-CG 3.49Å; N137-L139 PolarHBondContact OD1-N 3.16Å; N137-L139 VanDerWaalsContact OD1-N 3.09Å; L139-R141 VanDerWaalsContact C-N 3.28Å; L139-R141 PolarHBondContact O-N 2.72Å; L139-N142 PolarHBondContact N-OD1 3.18Å; L139-N142 PolarHBondContact O-OD1 2.71Å
140S68.6Low69.3Low76 Ų7654.9 Ų54.953%0.53128%0.28SS..G310 helixtrans-67.9-30.3176.348.70000112.3N142 Q143S140-N142 PolarHBondContact O-N 3.08Å; S140-N142 VanDerWaalsContact O-N 3.16Å; S140-Q143 VanDerWaalsContact O-CB 3.23Å; S140-Q143 WeakPolarHBondContact O-CB 3.27Å; S140-Q143 PolarHBondContact O-N 3.01Å
141R69.8Low68.9Low86 Ų8660 Ų6033%0.32530%0.302SS..G310 helixtrans-59.8-27.2-177.2-174.6168.266.890.6-9.4113.8A131 L133 L139A131-R141 PolarHBondContact O-NH1 3.04Å; L133-R141 VanDerWaalsContact CD1-NH2 3.3Å; L139-R141 VanDerWaalsContact C-N 3.28Å; L139-R141 PolarHBondContact O-N 2.72Å
142N67.2Low69Low6 Ų662.2 Ų62.23%0.03231%0.313CS..G310 helixtrans-11527.9177.957.80.9000112.1V135 W136 N137 L139 S140 S144 Y145V135-N142 PolarHBondContact O-ND2 3.36Å; W136-N142 WeakPolarHBondContact CA-ND2 3.34Å; W136-N142 PolarHBondContact NE1-O 3.21Å; W136-N142 VanDerWaalsContact NE1-O 3.16Å; W136-N142 PolarHBondContact NE1-OD1 2.93Å; N137-N142 VanDerWaalsContact CG-ND2 3.27Å; N137-N142 PolarHBondContact N-ND2 3.07Å; N137-N142 VanDerWaalsContact OD1-CG 3.28Å; N137-N142 PolarHBondContact OD1-ND2 3.07Å; N137-N142 PolarHBondContact OD1-OD1 2.97Å; N137-N142 VanDerWaalsContact OD1-OD1 3.1Å; L139-N142 PolarHBondContact N-OD1 3.18Å; L139-N142 PolarHBondContact O-OD1 2.71Å; S140-N142 PolarHBondContact O-N 3.08Å; S140-N142 VanDerWaalsContact O-N 3.16Å; N142-S144 PolarHBondContact O-N 2.76Å; N142-Y145 HydrophobicContact CB-CD2 3.93Å; N142-Y145 HydrophobicContact CB-CE2 4.2Å; N142-Y145 WeakPolarHBondContact O-CD2 3.28Å; N142-Y145 PolarHBondContact O-N 2.74Å
143Q64.9Low69.4Low47 Ų4757.7 Ų57.722%0.2229%0.291CS..THydrogen-bonded Turntrans-65.3-16.7175.7-166.8177.8-26.600112.9S140 Y145 V146 Y147S140-Q143 VanDerWaalsContact O-CB 3.23Å; S140-Q143 WeakPolarHBondContact O-CB 3.27Å; S140-Q143 PolarHBondContact O-N 3.01Å; Q143-Y145 PolarHBondContact O-N 3.01Å; Q143-V146 HydrophobicContact CG-CB 4.48Å; Q143-V146 HydrophobicContact CG-CG2 4.36Å; Q143-V146 VanDerWaalsContact O-CB 3.3Å; Q143-V146 WeakPolarHBondContact O-CB 3.47Å; Q143-V146 PolarHBondContact O-N 3.48Å; Q143-Y147 HydrophobicContact CG-CD2 4.38Å; Q143-Y147 HydrophobicContact CG-CE2 3.78Å; Q143-Y147 PolarHBondContact NE2-OH 2.82Å; Q143-Y147 WeakPolarHBondContact O-CD2 3.46Å
144S66.7Low69.8Low78 Ų7861.9 Ų61.955%0.54532%0.317SS..Hα-helixtrans-52.7-35.6172.351.60000112.8N142 V146 Y147 A148N142-S144 PolarHBondContact O-N 2.76Å; S144-V146 VanDerWaalsContact C-N 3.26Å; S144-V146 PolarHBondContact O-N 2.79Å; S144-Y147 PolarHBondContact O-N 2.74Å; S144-A148 WeakPolarHBondContact O-CB 3.37Å; S144-A148 PolarHBondContact O-N 3.48Å
145Y65Low70.6Confident59 Ų5961.9 Ų61.923%0.23133%0.326CS..Hα-helixtrans-61.1-32.5175.8-74.9-86.5000113.3V53 L133 R134 W136 N142 Q143 Y147V53-Y145 HydrophobicContact CG1-CD1 3.89Å; L133-Y145 PolarHBondContact O-OH 3.11Å; R134-Y145 VanDerWaalsContact C-OH 3.23Å; R134-Y145 VanDerWaalsContact CA-OH 3.23Å; R134-Y145 WeakPolarHBondContact CA-OH 3.39Å; R134-Y145 PolarHBondContact O-OH 3.37Å; W136-Y145 HydrophobicContact CB-CD2 4.42Å; W136-Y145 HydrophobicContact CB-CG 4.15Å; W136-Y145 HydrophobicContact CG-CG 4.42Å; N142-Y145 HydrophobicContact CB-CD2 3.93Å; N142-Y145 HydrophobicContact CB-CE2 4.2Å; N142-Y145 WeakPolarHBondContact O-CD2 3.28Å; N142-Y145 PolarHBondContact O-N 2.74Å; Q143-Y145 PolarHBondContact O-N 3.01Å; Y145-Y147 VanDerWaalsContact C-N 3.35Å
146V60.5Low71.1Confident1 Ų161.3 Ų61.31%0.00632%0.322CS..Hα-helixtrans-69.1-36.4178.7-176.30000111W136 Q143 S144 H153 L156 M157W136-V146 HydrophobicContact CD2-CG2 4.48Å; W136-V146 HydrophobicContact CH2-CG2 3.67Å; W136-V146 HydrophobicContact CZ2-CG2 3.14Å; Q143-V146 HydrophobicContact CG-CB 4.48Å; Q143-V146 HydrophobicContact CG-CG2 4.36Å; Q143-V146 VanDerWaalsContact O-CB 3.3Å; Q143-V146 WeakPolarHBondContact O-CB 3.47Å; Q143-V146 PolarHBondContact O-N 3.48Å; S144-V146 VanDerWaalsContact C-N 3.26Å; S144-V146 PolarHBondContact O-N 2.79Å; V146-H153 PolarHBondContact O-ND1 3.34Å; V146-L156 HydrophobicContact CG1-CB 4.46Å; V146-M157 HydrophobicContact CG1-CE 3.81Å
147Y61.7Low71.7Confident147 Ų14763.7 Ų63.758%0.57633%0.334SS*.Hα-helixtrans-84.6-28.1179.5-63.3-67.5000113Q143 S144 Y145 K149Q143-Y147 HydrophobicContact CG-CD2 4.38Å; Q143-Y147 HydrophobicContact CG-CE2 3.78Å; Q143-Y147 PolarHBondContact NE2-OH 2.82Å; Q143-Y147 WeakPolarHBondContact O-CD2 3.46Å; S144-Y147 PolarHBondContact O-N 2.74Å; Y145-Y147 VanDerWaalsContact C-N 3.35Å; Y147-K149 VanDerWaalsContact C-N 3.27Å; Y147-K149 PolarHBondContact O-N 2.72Å
148A64.7Low72Confident84 Ų8469.1 Ų69.169%0.69436%0.361SS*.Hα-helixtrans-66.2-27178.800000113.1S144S144-A148 WeakPolarHBondContact O-CB 3.37Å; S144-A148 PolarHBondContact O-N 3.48Å
149K66.9Low72.2Confident56 Ų5671 Ų7124%0.24337%0.371CS..  trans-122.6113.6-179.3-91.5-150.6172.4-179.10113.9V53 Y147V53-K149 WeakPolarHBondContact O-CD 3.26Å; V53-K149 WeakPolarHBondContact O-CE 3.1Å; V53-K149 PolarHBondContact O-NZ 2.72Å; Y147-K149 VanDerWaalsContact C-N 3.27Å; Y147-K149 PolarHBondContact O-N 2.72Å
150K63.5Low72.5Confident188 Ų18872.6 Ų72.682%0.81738%0.376SS*.SBendtrans-74.2-35.6178.4-85.7-177.9174.6177.10114.3N152 H153K150-N152 VanDerWaalsContact C-N 3.34Å; K150-N152 PolarHBondContact O-N 3.1Å; K150-H153 WeakPolarHBondContact O-CB 3.16Å; K150-H153 PolarHBondContact O-N 3.09Å
151D70.9Confident73.6Confident143 Ų14372.6 Ų72.677%0.76537%0.369SS*.THydrogen-bonded Turntrans-62.2-37.8-167.8-52.2-29.7000113.8
152N73.3Confident74.6Confident61 Ų6172.6 Ų72.633%0.32638%0.379SS..THydrogen-bonded Turntrans-11015.2-178.2-72.5-31.9000113.1A52 K150 T154 T155 L156A52-N152 PolarHBondContact O-ND2 3.22Å; K150-N152 VanDerWaalsContact C-N 3.34Å; K150-N152 PolarHBondContact O-N 3.1Å; N152-T154 VanDerWaalsContact C-N 3.33Å; N152-T154 PolarHBondContact O-N 3.11Å; N152-T155 PolarHBondContact O-N 3.47Å; N152-L156 HydrophobicContact CB-CD1 4.23Å; N152-L156 HydrophobicContact CB-CG 4.26Å; N152-L156 VanDerWaalsContact O-CG 3.3Å; N152-L156 WeakPolarHBondContact O-CG 3.33Å; N152-L156 PolarHBondContact O-N 3.39Å
153H76.8Confident75.7Confident62 Ų6272.5 Ų72.529%0.28738%0.38SS..Hα-helixtrans-54.4-44.7-169.8-175.481.3000113.2V146 K150 L156 M157V146-H153 PolarHBondContact O-ND1 3.34Å; K150-H153 WeakPolarHBondContact O-CB 3.16Å; K150-H153 PolarHBondContact O-N 3.09Å; H153-L156 PolarHBondContact O-N 2.98Å; H153-M157 VanDerWaalsContact O-CB 3.29Å; H153-M157 WeakPolarHBondContact O-CB 3.22Å; H153-M157 PolarHBondContact O-N 2.94Å
154T80.3Confident77Confident102 Ų10272.8 Ų72.863%0.62638%0.382SS*.Hα-helixtrans-62.7-46.3-179.5-51.80000112.1N152 M157 M158N152-T154 VanDerWaalsContact C-N 3.33Å; N152-T154 PolarHBondContact O-N 3.11Å; T154-M157 PolarHBondContact O-N 2.79Å; T154-M158 VanDerWaalsContact O-CG 3.3Å; T154-M158 WeakPolarHBondContact O-CG 3.33Å; T154-M158 PolarHBondContact O-N 3.16Å
155T80.9Confident78.3Confident72 Ų7272.8 Ų72.844%0.44238%0.375SS..Hα-helixtrans-64.4-44.9179.4-55.30000111.1N152 M158 L159N152-T155 PolarHBondContact O-N 3.47Å; T155-M158 PolarHBondContact O-N 3.19Å; T155-L159 HydrophobicContact CG2-CD1 4.4Å; T155-L159 WeakPolarHBondContact O-CG 3.49Å; T155-L159 PolarHBondContact O-N 3.38Å
156L79.5Confident79.6Confident2 Ų272 Ų721%0.0138%0.376CS..Hα-helixtrans-61.4-50.2176.6-61.1173000109.5V53 W136 V146 N152 H153 M158 L159 W160V53-L156 HydrophobicContact CG2-CD1 3.7Å; V53-L156 HydrophobicContact CG2-CD2 3.63Å; V53-L156 HydrophobicContact CG2-CG 4.35Å; W136-L156 HydrophobicContact CE3-CB 4.47Å; W136-L156 HydrophobicContact CE3-CD2 3.68Å; W136-L156 HydrophobicContact CH2-CB 3.63Å; W136-L156 HydrophobicContact CH2-CD2 4.3Å; W136-L156 HydrophobicContact CH2-CG 4.48Å; W136-L156 VanDerWaalsContact CH2-O 3.24Å; W136-L156 WeakPolarHBondContact CH2-O 3.23Å; W136-L156 HydrophobicContact CZ3-CB 3.5Å; W136-L156 HydrophobicContact CZ3-CD2 3.28Å; W136-L156 HydrophobicContact CZ3-CG 3.87Å; V146-L156 HydrophobicContact CG1-CB 4.46Å; N152-L156 HydrophobicContact CB-CD1 4.23Å; N152-L156 HydrophobicContact CB-CG 4.26Å; N152-L156 VanDerWaalsContact O-CG 3.3Å; N152-L156 WeakPolarHBondContact O-CG 3.33Å; N152-L156 PolarHBondContact O-N 3.39Å; H153-L156 PolarHBondContact O-N 2.98Å; L156-M158 VanDerWaalsContact C-N 3.28Å; L156-M158 PolarHBondContact O-N 2.88Å; L156-L159 PolarHBondContact O-N 2.86Å; L156-L159 VanDerWaalsContact O-N 3.08Å; L156-W160 PolarHBondContact O-N 3.43Å
157M83.9Confident81.3Confident52 Ų5272.2 Ų72.226%0.25638%0.377SS..Hα-helixtrans-56.4-41178.5-169.562.371.400112.7V146 H153 T154 W160 L161V146-M157 HydrophobicContact CG1-CE 3.81Å; H153-M157 VanDerWaalsContact O-CB 3.29Å; H153-M157 WeakPolarHBondContact O-CB 3.22Å; H153-M157 PolarHBondContact O-N 2.94Å; T154-M157 PolarHBondContact O-N 2.79Å; M157-W160 PolarHBondContact O-N 3.47Å; M157-W160 HydrophobicContact SD-CE3 3.86Å; M157-W160 HydrophobicContact SD-CZ3 4.28Å; M157-L161 WeakPolarHBondContact O-CB 3.36Å; M157-L161 PolarHBondContact O-N 2.72Å
158M86.6Confident82.9Confident116 Ų11669.9 Ų69.957%0.57137%0.368SS*.Hα-helixtrans-65-44.8175.4-72.1-65.3-177.800112.3T154 T155 L156 W160 L161 V162T154-M158 VanDerWaalsContact O-CG 3.3Å; T154-M158 WeakPolarHBondContact O-CG 3.33Å; T154-M158 PolarHBondContact O-N 3.16Å; T155-M158 PolarHBondContact O-N 3.19Å; L156-M158 VanDerWaalsContact C-N 3.28Å; L156-M158 PolarHBondContact O-N 2.88Å; M158-W160 VanDerWaalsContact C-N 3.3Å; M158-W160 PolarHBondContact O-N 3.31Å; M158-L161 PolarHBondContact O-N 2.96Å; M158-V162 VanDerWaalsContact O-CG2 3.31Å; M158-V162 WeakPolarHBondContact O-CG2 3.3Å; M158-V162 PolarHBondContact O-N 2.87Å
159L85Confident84.3Confident42 Ų4268.8 Ų68.822%0.2235%0.353CS..Hα-helixtrans-60.7-40.8175.4-71.1173.6000111.8F138 T155 L156 G163F138-L159 HydrophobicContact CD1-CB 4.03Å; F138-L159 HydrophobicContact CE1-CB 3.74Å; F138-L159 HydrophobicContact CE1-CD1 3.98Å; F138-L159 HydrophobicContact CE1-CG 4.46Å; F138-L159 HydrophobicContact CZ-CB 4.35Å; F138-L159 HydrophobicContact CZ-CD1 4.28Å; T155-L159 HydrophobicContact CG2-CD1 4.4Å; T155-L159 WeakPolarHBondContact O-CG 3.49Å; T155-L159 PolarHBondContact O-N 3.38Å; L156-L159 PolarHBondContact O-N 2.86Å; L156-L159 VanDerWaalsContact O-N 3.08Å; L159-G163 PolarHBondContact O-N 3.18Å
160W86.8Confident85.6Confident44 Ų4468.5 Ų68.517%0.16735%0.353CS..Hα-helixtrans-62.8-45.7174.3175.885.4000112.2W136 F138 L156 M157 M158 G163 L164W136-W160 HydrophobicContact CH2-CB 3.99Å; W136-W160 HydrophobicContact CZ2-CB 3.9Å; W136-W160 HydrophobicContact CZ2-CG 4.46Å; F138-W160 VanDerWaalsContact O-CD1 3.28Å; L156-W160 PolarHBondContact O-N 3.43Å; M157-W160 PolarHBondContact O-N 3.47Å; M157-W160 HydrophobicContact SD-CE3 3.86Å; M157-W160 HydrophobicContact SD-CZ3 4.28Å; M158-W160 VanDerWaalsContact C-N 3.3Å; M158-W160 PolarHBondContact O-N 3.31Å; W160-G163 CarbonylContact O-C 3.52Å; W160-G163 PolarHBondContact O-N 2.98Å; W160-L164 HydrophobicContact CH2-CD1 3.54Å; W160-L164 HydrophobicContact CZ2-CD1 3.63Å; W160-L164 HydrophobicContact CZ3-CD1 4.15Å; W160-L164 WeakPolarHBondContact O-CB 3.43Å; W160-L164 PolarHBondContact O-N 3.44Å
161L89.8Confident87.1Confident76 Ų7661.6 Ų61.640%0.39832%0.323SS..Hα-helixtrans-63.5-43.8178.8-178.262.8000111.6M157 M158 G163 L164 I165M157-L161 WeakPolarHBondContact O-CB 3.36Å; M157-L161 PolarHBondContact O-N 2.72Å; M158-L161 PolarHBondContact O-N 2.96Å; L161-G163 VanDerWaalsContact C-N 3.33Å; L161-G163 PolarHBondContact O-N 2.92Å; L161-L164 WeakPolarHBondContact O-CB 3.43Å; L161-L164 PolarHBondContact O-N 3.16Å; L161-I165 HydrophobicContact CG-CD1 4.24Å; L161-I165 WeakPolarHBondContact O-CG1 3.12Å; L161-I165 PolarHBondContact O-N 3.16Å
162V91.2Very high88.3Confident87 Ų8756.2 Ų56.253%0.52729%0.294SS..Hα-helixtrans-59.4-46.5173.5170.90000110.2M158 L164 I165 V166M158-V162 VanDerWaalsContact O-CG2 3.31Å; M158-V162 WeakPolarHBondContact O-CG2 3.3Å; M158-V162 PolarHBondContact O-N 2.87Å; V162-L164 VanDerWaalsContact C-N 3.3Å; V162-L164 PolarHBondContact O-N 2.74Å; V162-I165 PolarHBondContact O-N 3.44Å; V162-V166 HydrophobicContact CG1-CG2 4.43Å; V162-V166 WeakPolarHBondContact O-CG2 3.36Å; V162-V166 PolarHBondContact O-N 2.88Å
163G91Very high89.4Confident4 Ų455.2 Ų55.24%0.04129%0.291CS..Hα-helixtrans-61.8-36.7176.500000113.1L159 W160 L161 R167L159-G163 PolarHBondContact O-N 3.18Å; W160-G163 CarbonylContact O-C 3.52Å; W160-G163 PolarHBondContact O-N 2.98Å; L161-G163 VanDerWaalsContact C-N 3.33Å; L161-G163 PolarHBondContact O-N 2.92Å; G163-R167 WeakPolarHBondContact O-CB 3.33Å; G163-R167 WeakPolarHBondContact O-CG 3.28Å; G163-R167 PolarHBondContact O-N 3.45Å; G163-R167 PolarHBondContact O-NE 2.93Å; G163-R167 VanDerWaalsContact O-NE 3.13Å
164L92.1Very high90.4Very high52 Ų5252.4 Ų52.427%0.27228%0.279SS..Hα-helixtrans-64.6-47.9174.3-175.2152000111.1W160 L161 V162 V166 R167 Y168W160-L164 HydrophobicContact CH2-CD1 3.54Å; W160-L164 HydrophobicContact CZ2-CD1 3.63Å; W160-L164 HydrophobicContact CZ3-CD1 4.15Å; W160-L164 WeakPolarHBondContact O-CB 3.43Å; W160-L164 PolarHBondContact O-N 3.44Å; L161-L164 WeakPolarHBondContact O-CB 3.43Å; L161-L164 PolarHBondContact O-N 3.16Å; V162-L164 VanDerWaalsContact C-N 3.3Å; V162-L164 PolarHBondContact O-N 2.74Å; L164-V166 PolarHBondContact O-N 3.06Å; L164-R167 PolarHBondContact O-N 3.2Å; L164-Y168 HydrophobicContact CD2-CD2 4.49Å; L164-Y168 HydrophobicContact CG-CD2 4.03Å; L164-Y168 HydrophobicContact CG-CE2 4.4Å; L164-Y168 WeakPolarHBondContact O-CB 3.26Å; L164-Y168 WeakPolarHBondContact O-CD2 3.28Å; L164-Y168 PolarHBondContact O-N 3.44Å
165I94.2Very high91.2Very high78 Ų7847.6 Ų47.640%0.425%0.249SC..Hα-helixtrans-59.3-49.8177.3-68.1166.7000110.1L161 V162 R167 V169 I170L161-I165 HydrophobicContact CG-CD1 4.24Å; L161-I165 WeakPolarHBondContact O-CG1 3.12Å; L161-I165 PolarHBondContact O-N 3.16Å; V162-I165 PolarHBondContact O-N 3.44Å; I165-R167 VanDerWaalsContact C-N 3.34Å; I165-R167 PolarHBondContact O-N 3Å; I165-V169 HydrophobicContact CG2-CB 4.21Å; I165-V169 HydrophobicContact CG2-CG2 4.21Å; I165-V169 WeakPolarHBondContact O-CA 3.49Å; I165-V169 WeakPolarHBondContact O-CB 3.28Å; I165-V169 PolarHBondContact O-N 3.24Å; I165-I170 PolarHBondContact O-N 3.24Å
166V93.1Very high92Very high42 Ų4246.4 Ų46.426%0.25524%0.239SC..Iπ-helixtrans-58.4-45.3179.7170.70000111.5V162 L164 I170 F171 W375V162-V166 HydrophobicContact CG1-CG2 4.43Å; V162-V166 WeakPolarHBondContact O-CG2 3.36Å; V162-V166 PolarHBondContact O-N 2.88Å; L164-V166 PolarHBondContact O-N 3.06Å; V166-I170 WeakPolarHBondContact O-CB 3.04Å; V166-I170 PolarHBondContact O-N 2.85Å; V166-F171 HydrophobicContact CG1-CD2 3.83Å; V166-F171 HydrophobicContact CG1-CE2 3.46Å; V166-F171 VanDerWaalsContact CG1-CE2 3.46Å; V166-F171 HydrophobicContact CG1-CZ 3.93Å; V166-F171 PolarHBondContact O-N 3.15Å; V166-W375 HydrophobicContact CG1-CZ3 4.37Å
167R94.8Very high92.8Very high6 Ų649.1 Ų49.12%0.02326%0.256CS..Iπ-helixtrans-71.2-46.1-177.2-70.1177.7-57.3112.3-5.7113.1F138 G163 L164 I165 L172 T373 W375F138-R167 PolarHBondContact O-NH2 3.44Å; G163-R167 WeakPolarHBondContact O-CB 3.33Å; G163-R167 WeakPolarHBondContact O-CG 3.28Å; G163-R167 PolarHBondContact O-N 3.45Å; G163-R167 PolarHBondContact O-NE 2.93Å; G163-R167 VanDerWaalsContact O-NE 3.13Å; L164-R167 PolarHBondContact O-N 3.2Å; I165-R167 VanDerWaalsContact C-N 3.34Å; I165-R167 PolarHBondContact O-N 3Å; R167-L172 WeakPolarHBondContact O-CB 2.83Å; R167-L172 PolarHBondContact O-N 3.41Å; R167-T373 VanDerWaalsContact CD-O 3.3Å; R167-T373 WeakPolarHBondContact CD-O 3.47Å; R167-T373 PolarHBondContact NH1-O 2.92Å; R167-W375 HydrophobicContact CG-CD2 4.28Å; R167-W375 HydrophobicContact CG-CE3 3.68Å; R167-W375 HydrophobicContact CG-CH2 4.02Å; R167-W375 HydrophobicContact CG-CZ2 4.47Å; R167-W375 HydrophobicContact CG-CZ3 3.57Å
168Y95.3Very high93.5Very high99 Ų9946.6 Ų46.639%0.38824%0.244SC..Iπ-helixtrans-90.9-36.5-172.1-75.7-95.1000113.7L164 L172 P173 T373L164-Y168 HydrophobicContact CD2-CD2 4.49Å; L164-Y168 HydrophobicContact CG-CD2 4.03Å; L164-Y168 HydrophobicContact CG-CE2 4.4Å; L164-Y168 WeakPolarHBondContact O-CB 3.26Å; L164-Y168 WeakPolarHBondContact O-CD2 3.28Å; L164-Y168 PolarHBondContact O-N 3.44Å; Y168-L172 HydrophobicContact CD1-CD2 4.14Å; Y168-P173 WeakPolarHBondContact O-CD 3.11Å; Y168-T373 HydrophobicContact CD1-CG2 3.91Å; Y168-T373 HydrophobicContact CE1-CG2 3.49Å; Y168-T373 VanDerWaalsContact CE1-CG2 3.49Å; Y168-T373 HydrophobicContact CE2-CG2 4.44Å
169V94.4Very high93.9Very high61 Ų6141.6 Ų41.637%0.3722%0.219SC..Iπ-helixtrans-88-40.1-175.8-175.40000110.2Y12 I165 P173Y12-V169 VanDerWaalsContact CE1-O 3.25Å; Y12-V169 WeakPolarHBondContact CE1-O 3.3Å; Y12-V169 WeakPolarHBondContact OH-CG1 3.31Å; Y12-V169 PolarHBondContact OH-O 2.85Å; I165-V169 HydrophobicContact CG2-CB 4.21Å; I165-V169 HydrophobicContact CG2-CG2 4.21Å; I165-V169 WeakPolarHBondContact O-CA 3.49Å; I165-V169 WeakPolarHBondContact O-CB 3.28Å; I165-V169 PolarHBondContact O-N 3.24Å; V169-P173 WeakPolarHBondContact O-CG 3.31Å
170I93.2Very high94.5Very high50 Ų5044.7 Ų44.726%0.25623%0.231SC..Iπ-helixtrans-98.2-58.3-175.8-54.7175.7000111.7F11 I165 V166 C174F11-I170 HydrophobicContact CE1-CG1 4.43Å; F11-I170 HydrophobicContact CZ-CD1 4.26Å; F11-I170 HydrophobicContact CZ-CG1 4.35Å; I165-I170 PolarHBondContact O-N 3.24Å; V166-I170 WeakPolarHBondContact O-CB 3.04Å; V166-I170 PolarHBondContact O-N 2.85Å; I170-C174 PolarHBondContact O-SG 2.99Å
171F95.4Very high94.9Very high42 Ų4244.3 Ų44.318%0.18423%0.234CC..Iπ-helixtrans-73.9-42.7-172.4-69.7-29.8000114Y38 V166 C174 R175Y38-F171 AromaticContact CE2-CE2 3.86Å; Y38-F171 HydrophobicContact CE2-CE2 3.86Å; Y38-F171 AromaticContact CE2-CZ 3.88Å; Y38-F171 HydrophobicContact CE2-CZ 3.88Å; Y38-F171 AromaticContact CZ-CE2 3.77Å; Y38-F171 VanDerWaalsContact OH-CE2 3.27Å; Y38-F171 WeakPolarHBondContact OH-CE2 3.41Å; V166-F171 HydrophobicContact CG1-CD2 3.83Å; V166-F171 HydrophobicContact CG1-CE2 3.46Å; V166-F171 VanDerWaalsContact CG1-CE2 3.46Å; V166-F171 HydrophobicContact CG1-CZ 3.93Å; V166-F171 PolarHBondContact O-N 3.15Å; F171-C174 PolarHBondContact O-N 3.29Å; F171-R175 WeakPolarHBondContact O-CB 3.47Å; F171-R175 VanDerWaalsContact O-CG 3.26Å; F171-R175 WeakPolarHBondContact O-CG 3.47Å; F171-R175 PolarHBondContact O-N 3.24Å
172L96.9Very high95.2Very high30 Ų3040.7 Ų40.716%0.15722%0.216CC..Hα-helixtrans-58.5-47.6-175.3177.665.1000112.8R167 Y168 C174 R175 L176 L369 M372 T373R167-L172 WeakPolarHBondContact O-CB 2.83Å; R167-L172 PolarHBondContact O-N 3.41Å; Y168-L172 HydrophobicContact CD1-CD2 4.14Å; L172-C174 VanDerWaalsContact C-N 3.35Å; L172-C174 PolarHBondContact O-N 3.5Å; L172-R175 PolarHBondContact O-N 3.44Å; L172-L176 HydrophobicContact CD1-CD1 4.08Å; L172-L176 HydrophobicContact CD1-CD2 4.49Å; L172-L176 HydrophobicContact CD1-CG 4.01Å; L172-L176 HydrophobicContact CG-CD1 3.98Å; L172-L176 HydrophobicContact CG-CG 4.37Å; L172-L176 WeakPolarHBondContact O-CB 3.4Å; L172-L176 VanDerWaalsContact O-CG 3.26Å; L172-L176 WeakPolarHBondContact O-CG 3.36Å; L172-L176 PolarHBondContact O-N 2.68Å; L172-L369 HydrophobicContact CD1-CD2 4.4Å; L172-M372 HydrophobicContact CD1-CB 3.89Å; L172-T373 HydrophobicContact CB-CG2 4.48Å; L172-T373 HydrophobicContact CD1-CG2 3.89Å; L172-T373 HydrophobicContact CD2-CG2 3.9Å; L172-T373 HydrophobicContact CG-CG2 4.31Å
173P96.6Very high95.4Very high41 Ų4137.8 Ų37.827%0.26620%0.198SC..Hα-helixtrans-59.1-43.5175.1-26.436.5000113Y12 Y168 V169 R175 L176 V177Y12-P173 HydrophobicContact CE1-CG 4.26Å; Y168-P173 WeakPolarHBondContact O-CD 3.11Å; V169-P173 WeakPolarHBondContact O-CG 3.31Å; P173-R175 PolarHBondContact O-N 3.45Å; P173-L176 PolarHBondContact O-N 2.95Å; P173-V177 WeakPolarHBondContact O-CG2 3.24Å; P173-V177 PolarHBondContact O-N 3.08Å; P173-V177 VanDerWaalsContact O-N 3.15Å
174C96.9Very high95.6Very high3 Ų342.9 Ų42.92%0.0222%0.219CC..Hα-helixtrans-62.7-44.2177.9-610000111.8F19 I170 F171 L172 V177 V178F19-C174 HydrophobicContact CB-CB 3.93Å; F19-C174 HydrophobicContact CD1-CB 3.6Å; F19-C174 HydrophobicContact CD2-CB 4.3Å; F19-C174 HydrophobicContact CE1-CB 4.18Å; F19-C174 HydrophobicContact CG-CB 3.68Å; I170-C174 PolarHBondContact O-SG 2.99Å; F171-C174 PolarHBondContact O-N 3.29Å; L172-C174 VanDerWaalsContact C-N 3.35Å; L172-C174 PolarHBondContact O-N 3.5Å; C174-V177 PolarHBondContact O-N 2.96Å; C174-V178 PolarHBondContact O-N 3.23Å; C174-V178 VanDerWaalsContact O-N 3.08Å
175R97.6Very high95.7Very high0 Ų044.3 Ų44.30%022%0.224CC..Hα-helixtrans-65.9-39.5178.8-73.8176.3171170.2-1.2112.3F19 F171 L172 P173 V178 F179 S220 S222 M372 S374 W375F19-R175 HydrophobicContact CE1-CG 4.13Å; F19-R175 HydrophobicContact CZ-CG 3.89Å; F171-R175 WeakPolarHBondContact O-CB 3.47Å; F171-R175 VanDerWaalsContact O-CG 3.26Å; F171-R175 WeakPolarHBondContact O-CG 3.47Å; F171-R175 PolarHBondContact O-N 3.24Å; L172-R175 PolarHBondContact O-N 3.44Å; P173-R175 PolarHBondContact O-N 3.45Å; R175-V178 PolarHBondContact O-N 3.06Å; R175-F179 VanDerWaalsContact O-CB 3.23Å; R175-F179 WeakPolarHBondContact O-CB 3.24Å; R175-F179 PolarHBondContact O-N 3.06Å; R175-S220 WeakPolarHBondContact CB-O 3.35Å; R175-S220 WeakPolarHBondContact CD-O 3.28Å; R175-S220 WeakPolarHBondContact CG-O 3.33Å; R175-S222 PolarHBondContact NE-OG 3.48Å; R175-S222 VanDerWaalsContact NH2-CB 3.32Å; R175-S222 PolarHBondContact NH2-OG 2.9Å; R175-M372 HydrophobicContact CB-CB 4.39Å; R175-M372 HydrophobicContact CB-CG 4.24Å; R175-M372 HydrophobicContact CB-SD 4.41Å; R175-M372 WeakPolarHBondContact CD-O 3.41Å; R175-M372 PolarHBondContact NH1-O 2.85Å; R175-S374 PolarHBondContact NH1-O 3.49Å; R175-W375 PolarHBondContact NH2-O 3.4Å
176L97.6Very high95.8Very high47 Ų4741 Ų4125%0.24621%0.207CC..Hα-helixtrans-61.7-45.5175.4-74.3169.1000111.5L172 P173 F179 F180 L369 M372L172-L176 HydrophobicContact CD1-CD1 4.08Å; L172-L176 HydrophobicContact CD1-CD2 4.49Å; L172-L176 HydrophobicContact CD1-CG 4.01Å; L172-L176 HydrophobicContact CG-CD1 3.98Å; L172-L176 HydrophobicContact CG-CG 4.37Å; L172-L176 WeakPolarHBondContact O-CB 3.4Å; L172-L176 VanDerWaalsContact O-CG 3.26Å; L172-L176 WeakPolarHBondContact O-CG 3.36Å; L172-L176 PolarHBondContact O-N 2.68Å; P173-L176 PolarHBondContact O-N 2.95Å; L176-F179 PolarHBondContact O-N 3Å; L176-F180 HydrophobicContact CD2-CE2 4.03Å; L176-F180 WeakPolarHBondContact O-CD2 3.47Å; L176-F180 PolarHBondContact O-N 3.23Å; L176-L369 HydrophobicContact CD2-CD2 3.85Å; L176-M372 HydrophobicContact CD2-SD 3.85Å; L176-M372 HydrophobicContact CG-SD 4.36Å
177V97.2Very high95.9Very high59 Ų5944.1 Ų44.136%0.35821%0.214SC..Hα-helixtrans-61.4-46.6177.3172.70000111V16 P173 C174 S181V16-V177 HydrophobicContact CG1-CB 3.99Å; V16-V177 HydrophobicContact CG1-CG1 3.83Å; V16-V177 HydrophobicContact CG1-CG2 3.94Å; P173-V177 WeakPolarHBondContact O-CG2 3.24Å; P173-V177 PolarHBondContact O-N 3.08Å; P173-V177 VanDerWaalsContact O-N 3.15Å; C174-V177 PolarHBondContact O-N 2.96Å; V177-S181 VanDerWaalsContact O-CB 3.23Å; V177-S181 WeakPolarHBondContact O-CB 3.39Å; V177-S181 PolarHBondContact O-N 2.85Å; V177-S181 VanDerWaalsContact O-N 3.1Å; V177-S181 PolarHBondContact O-OG 3.43Å
178V97Very high95.9Very high0 Ų046.8 Ų46.80%023%0.228CC..Hα-helixtrans-62.6-44.2176.1172.30000111.1F19 F20 C174 R175 S181 S182 L216 C219F19-V178 HydrophobicContact CD1-CG2 3.53Å; F19-V178 HydrophobicContact CE1-CB 4.2Å; F19-V178 HydrophobicContact CE1-CG2 3.64Å; F20-V178 HydrophobicContact CB-CG2 4.27Å; F20-V178 HydrophobicContact CD2-CG2 4.01Å; C174-V178 PolarHBondContact O-N 3.23Å; C174-V178 VanDerWaalsContact O-N 3.08Å; R175-V178 PolarHBondContact O-N 3.06Å; V178-S181 PolarHBondContact O-N 3.38Å; V178-S182 WeakPolarHBondContact O-CB 3.47Å; V178-S182 PolarHBondContact O-N 2.94Å; V178-S182 PolarHBondContact O-OG 3.44Å; V178-S182 VanDerWaalsContact O-OG 3.05Å; V178-L216 HydrophobicContact CG1-CD1 4.2Å; V178-C219 HydrophobicContact CG1-CB 4.4Å
179F96.8Very high95.9Very high11 Ų1143.9 Ų43.95%0.04822%0.219CC..Hα-helixtrans-58-58.5-179.6177.9-107.3000111.8R175 L176 S181 S182 V183 F221 F269 M372R175-F179 VanDerWaalsContact O-CB 3.23Å; R175-F179 WeakPolarHBondContact O-CB 3.24Å; R175-F179 PolarHBondContact O-N 3.06Å; L176-F179 PolarHBondContact O-N 3Å; F179-S181 VanDerWaalsContact C-N 3.31Å; F179-S181 PolarHBondContact O-N 2.87Å; F179-S182 PolarHBondContact O-N 3.09Å; F179-S182 VanDerWaalsContact O-N 3.17Å; F179-S182 PolarHBondContact O-OG 3.34Å; F179-V183 HydrophobicContact CD2-CG2 4.26Å; F179-V183 HydrophobicContact CE1-CG2 4.36Å; F179-V183 HydrophobicContact CE2-CG2 4.01Å; F179-V183 HydrophobicContact CZ-CG2 4.07Å; F179-V183 WeakPolarHBondContact O-CG2 3.44Å; F179-V183 PolarHBondContact O-N 2.87Å; F179-F221 HydrophobicContact CD2-CZ 4.07Å; F179-F221 AromaticContact CE2-CZ 3.94Å; F179-F221 HydrophobicContact CE2-CZ 3.94Å; F179-F269 HydrophobicContact CE1-CZ 4.09Å; F179-F269 HydrophobicContact CZ-CE1 4.4Å; F179-F269 HydrophobicContact CZ-CZ 4.09Å; F179-M372 HydrophobicContact CB-CE 3.42Å; F179-M372 VanDerWaalsContact CB-CE 3.42Å; F179-M372 HydrophobicContact CB-SD 4.43Å; F179-M372 HydrophobicContact CD1-CE 3.66Å; F179-M372 HydrophobicContact CD2-CE 3.31Å; F179-M372 HydrophobicContact CE1-CE 4.19Å; F179-M372 HydrophobicContact CE2-CE 3.9Å; F179-M372 HydrophobicContact CG-CE 3.17Å; F179-M372 HydrophobicContact CZ-CE 4.29Å
180F96.1Very high95.9Very high107 Ų10741 Ų4147%0.46920%0.201SC..Hα-helixtrans-62.9-39-177.9-71.4-64.7000112.2L176 F184 F365L176-F180 HydrophobicContact CD2-CE2 4.03Å; L176-F180 WeakPolarHBondContact O-CD2 3.47Å; L176-F180 PolarHBondContact O-N 3.23Å; F180-F184 WeakPolarHBondContact O-CB 3.36Å; F180-F184 PolarHBondContact O-N 3.35Å; F180-F365 HydrophobicContact CZ-CE2 4.32Å
181S96Very high95.9Very high35 Ų3539.6 Ų39.625%0.24520%0.198CC..Hα-helixtrans-64.1-43.3175.6-55.80000111.8V177 V178 F179 F184 F185V177-S181 VanDerWaalsContact O-CB 3.23Å; V177-S181 WeakPolarHBondContact O-CB 3.39Å; V177-S181 PolarHBondContact O-N 2.85Å; V177-S181 VanDerWaalsContact O-N 3.1Å; V177-S181 PolarHBondContact O-OG 3.43Å; V178-S181 PolarHBondContact O-N 3.38Å; F179-S181 VanDerWaalsContact C-N 3.31Å; F179-S181 PolarHBondContact O-N 2.87Å; S181-F184 WeakPolarHBondContact O-CB 3.48Å; S181-F184 PolarHBondContact O-N 3.47Å; S181-F185 WeakPolarHBondContact O-CD2 3.49Å; S181-F185 WeakPolarHBondContact O-CG 3.5Å; S181-F185 PolarHBondContact O-N 3.24Å
182S95.6Very high95.9Very high0 Ų040.6 Ų40.60%021%0.207CC..Hα-helixtrans-67.9-40.3-178.871.50000113.2V178 F179 F184 F185 T186 N217V178-S182 WeakPolarHBondContact O-CB 3.47Å; V178-S182 PolarHBondContact O-N 2.94Å; V178-S182 PolarHBondContact O-OG 3.44Å; V178-S182 VanDerWaalsContact O-OG 3.05Å; F179-S182 PolarHBondContact O-N 3.09Å; F179-S182 VanDerWaalsContact O-N 3.17Å; F179-S182 PolarHBondContact O-OG 3.34Å; S182-F184 VanDerWaalsContact C-N 3.33Å; S182-F185 PolarHBondContact O-N 3.36Å; S182-T186 WeakPolarHBondContact O-CB 3.36Å; S182-T186 PolarHBondContact O-N 3.22Å; S182-T186 PolarHBondContact O-OG1 3.49Å; S182-N217 VanDerWaalsContact OG-CA 3.32Å; S182-N217 WeakPolarHBondContact OG-CA 2.98Å; S182-N217 PolarHBondContact OG-OD1 3.43Å
183V94.7Very high95.8Very high26 Ų2639.3 Ų39.316%0.15820%0.2CC..Hα-helixtrans-62.3-44.2173.5170.80000109.7F179 T186 W187 N217 F272 I276F179-V183 HydrophobicContact CD2-CG2 4.26Å; F179-V183 HydrophobicContact CE1-CG2 4.36Å; F179-V183 HydrophobicContact CE2-CG2 4.01Å; F179-V183 HydrophobicContact CZ-CG2 4.07Å; F179-V183 WeakPolarHBondContact O-CG2 3.44Å; F179-V183 PolarHBondContact O-N 2.87Å; V183-T186 WeakPolarHBondContact O-CB 3.36Å; V183-T186 PolarHBondContact O-N 2.85Å; V183-W187 PolarHBondContact O-N 2.68Å; V183-N217 VanDerWaalsContact CG2-OD1 3.26Å; V183-N217 WeakPolarHBondContact CG2-OD1 3.23Å; V183-F272 HydrophobicContact CG1-CE1 4.46Å; V183-I276 HydrophobicContact CG1-CD1 3.38Å
184F95.3Very high95.4Very high111 Ų11144 Ų4449%0.48721%0.213SC..Hα-helixtrans-61.3-47.1175.4-179.9-103.6000112.2F180 S181 S182 T186 W187 I188F180-F184 WeakPolarHBondContact O-CB 3.36Å; F180-F184 PolarHBondContact O-N 3.35Å; S181-F184 WeakPolarHBondContact O-CB 3.48Å; S181-F184 PolarHBondContact O-N 3.47Å; S182-F184 VanDerWaalsContact C-N 3.33Å; F184-T186 VanDerWaalsContact C-N 3.32Å; F184-T186 PolarHBondContact O-N 2.78Å; F184-W187 HydrophobicContact CD2-CE3 4.04Å; F184-W187 HydrophobicContact CD2-CZ3 4.36Å; F184-W187 AromaticContact CE2-CE3 3.92Å; F184-W187 HydrophobicContact CE2-CE3 3.92Å; F184-W187 AromaticContact CE2-CZ3 3.81Å; F184-W187 HydrophobicContact CE2-CZ3 3.81Å; F184-W187 WeakPolarHBondContact O-CB 3.26Å; F184-W187 PolarHBondContact O-N 3.02Å; F184-I188 HydrophobicContact CD1-CG1 4.2Å; F184-I188 HydrophobicContact CE1-CD1 4.37Å; F184-I188 HydrophobicContact CE1-CG1 3.8Å; F184-I188 HydrophobicContact CE2-CD1 4.19Å; F184-I188 HydrophobicContact CE2-CG1 4.16Å; F184-I188 HydrophobicContact CZ-CD1 3.87Å; F184-I188 HydrophobicContact CZ-CG1 3.78Å; F184-I188 WeakPolarHBondContact O-CG1 3.48Å; F184-I188 PolarHBondContact O-N 3.23Å
185F95Very high95.2Very high83 Ų8352.7 Ų52.736%0.36425%0.25SS..Hα-helixtrans-61.9-38.5176.5-72.7-53.3000112.8F20 S181 S182 W187 I188 I189 L216F20-F185 HydrophobicContact CE2-CE2 4.49Å; F20-F185 HydrophobicContact CZ-CE2 4.07Å; S181-F185 WeakPolarHBondContact O-CD2 3.49Å; S181-F185 WeakPolarHBondContact O-CG 3.5Å; S181-F185 PolarHBondContact O-N 3.24Å; S182-F185 PolarHBondContact O-N 3.36Å; F185-W187 VanDerWaalsContact C-N 3.32Å; F185-W187 PolarHBondContact O-N 3.46Å; F185-I188 PolarHBondContact O-N 3.03Å; F185-I189 WeakPolarHBondContact O-CB 3.07Å; F185-I189 VanDerWaalsContact O-CG1 3.31Å; F185-I189 WeakPolarHBondContact O-CG1 3.41Å; F185-I189 PolarHBondContact O-N 3.34Å; F185-L216 HydrophobicContact CD2-CD2 4.02Å
186T95.8Very high95Very high8 Ų854.9 Ų54.95%0.04926%0.262CS..Hα-helixtrans-60.2-45.2175.9-540000110.8S182 V183 F184 G190 N217 I276 A280S182-T186 WeakPolarHBondContact O-CB 3.36Å; S182-T186 PolarHBondContact O-N 3.22Å; S182-T186 PolarHBondContact O-OG1 3.49Å; V183-T186 WeakPolarHBondContact O-CB 3.36Å; V183-T186 PolarHBondContact O-N 2.85Å; F184-T186 VanDerWaalsContact C-N 3.32Å; F184-T186 PolarHBondContact O-N 2.78Å; T186-G190 PolarHBondContact O-N 3.5Å; T186-N217 PolarHBondContact OG1-ND2 3.25Å; T186-I276 HydrophobicContact CG2-CG2 4.05Å; T186-A280 HydrophobicContact CG2-CB 4.37Å
187W95.6Very high94.9Very high108 Ų10856.9 Ų56.941%0.40928%0.278SS..Hα-helixtrans-62.3-46175.8176.464.6000112.3V183 F184 F185 G190 A191 I276V183-W187 PolarHBondContact O-N 2.68Å; F184-W187 HydrophobicContact CD2-CE3 4.04Å; F184-W187 HydrophobicContact CD2-CZ3 4.36Å; F184-W187 AromaticContact CE2-CE3 3.92Å; F184-W187 HydrophobicContact CE2-CE3 3.92Å; F184-W187 AromaticContact CE2-CZ3 3.81Å; F184-W187 HydrophobicContact CE2-CZ3 3.81Å; F184-W187 WeakPolarHBondContact O-CB 3.26Å; F184-W187 PolarHBondContact O-N 3.02Å; F185-W187 VanDerWaalsContact C-N 3.32Å; F185-W187 PolarHBondContact O-N 3.46Å; W187-G190 PolarHBondContact O-N 3.24Å; W187-A191 VanDerWaalsContact O-CB 3.24Å; W187-A191 WeakPolarHBondContact O-CB 3.39Å; W187-A191 PolarHBondContact O-N 2.79Å; W187-I276 HydrophobicContact CB-CD1 4.41Å; W187-I276 HydrophobicContact CB-CG1 4.19Å; W187-I276 HydrophobicContact CB-CG2 4.01Å; W187-I276 HydrophobicContact CG-CG1 4.44Å
188I95.5Very high94.6Very high62 Ų6259.9 Ų59.932%0.31830%0.298SS..Hα-helixtrans-62.8-48.8179-67.4-64000111.4F184 F185 G190 A191 V192F184-I188 HydrophobicContact CD1-CG1 4.2Å; F184-I188 HydrophobicContact CE1-CD1 4.37Å; F184-I188 HydrophobicContact CE1-CG1 3.8Å; F184-I188 HydrophobicContact CE2-CD1 4.19Å; F184-I188 HydrophobicContact CE2-CG1 4.16Å; F184-I188 HydrophobicContact CZ-CD1 3.87Å; F184-I188 HydrophobicContact CZ-CG1 3.78Å; F184-I188 WeakPolarHBondContact O-CG1 3.48Å; F184-I188 PolarHBondContact O-N 3.23Å; F185-I188 PolarHBondContact O-N 3.03Å; I188-G190 VanDerWaalsContact C-N 3.32Å; I188-G190 PolarHBondContact O-N 2.66Å; I188-A191 PolarHBondContact O-N 3.39Å; I188-V192 HydrophobicContact CG2-CG2 4.23Å; I188-V192 WeakPolarHBondContact O-CB 3.38Å; I188-V192 VanDerWaalsContact O-CG2 3.27Å; I188-V192 WeakPolarHBondContact O-CG2 3.38Å; I188-V192 PolarHBondContact O-N 2.95Å
189I95.2Very high94.5Very high37 Ų3761.9 Ų61.919%0.1931%0.312CS..Hα-helixtrans-58.3-47179.3-72.7165.1000110.2F185 V192 A193 L205 I210 A213F185-I189 WeakPolarHBondContact O-CB 3.07Å; F185-I189 VanDerWaalsContact O-CG1 3.31Å; F185-I189 WeakPolarHBondContact O-CG1 3.41Å; F185-I189 PolarHBondContact O-N 3.34Å; I189-V192 PolarHBondContact O-N 2.96Å; I189-A193 VanDerWaalsContact O-CB 3.24Å; I189-A193 WeakPolarHBondContact O-CB 3.42Å; I189-A193 PolarHBondContact O-N 2.74Å; I189-L205 HydrophobicContact CG2-CD2 4.18Å; I189-I210 HydrophobicContact CG2-CG1 3.93Å; I189-A213 HydrophobicContact CD1-CB 3.82Å
190G94Very high94.4Very high0 Ų072.4 Ų72.40%035%0.352CS..Hα-helixtrans-63.3-44.7176.500000113.5T186 W187 I188 V192 A193 R194 C279T186-G190 PolarHBondContact O-N 3.5Å; W187-G190 PolarHBondContact O-N 3.24Å; I188-G190 VanDerWaalsContact C-N 3.32Å; I188-G190 PolarHBondContact O-N 2.66Å; G190-V192 VanDerWaalsContact C-N 3.35Å; G190-V192 PolarHBondContact O-N 3.36Å; G190-A193 PolarHBondContact O-N 3.22Å; G190-R194 WeakPolarHBondContact O-CG 3.39Å; G190-R194 PolarHBondContact O-N 3.09Å; G190-R194 VanDerWaalsContact O-N 3.15Å; G190-C279 CarbonylContact C-O 3.49Å; G190-C279 WeakPolarHBondContact CA-O 3.43Å; G190-C279 VanDerWaalsContact O-O 3.06Å
191A94.1Very high94.3Very high22 Ų2272.8 Ų72.818%0.18235%0.353CS..Hα-helixtrans-62.2-40.8177.800000112.5W187 I188 K195W187-A191 VanDerWaalsContact O-CB 3.24Å; W187-A191 WeakPolarHBondContact O-CB 3.39Å; W187-A191 PolarHBondContact O-N 2.79Å; I188-A191 PolarHBondContact O-N 3.39Å; A191-K195 WeakPolarHBondContact O-CG 3.49Å
192V95.4Very high94.2Very high63 Ų6373.6 Ų73.638%0.38235%0.352SS..Hα-helixtrans-68.8-50176.6171.60000110.5I188 I189 G190 R194 K195 L196 L205I188-V192 HydrophobicContact CG2-CG2 4.23Å; I188-V192 WeakPolarHBondContact O-CB 3.38Å; I188-V192 VanDerWaalsContact O-CG2 3.27Å; I188-V192 WeakPolarHBondContact O-CG2 3.38Å; I188-V192 PolarHBondContact O-N 2.95Å; I189-V192 PolarHBondContact O-N 2.96Å; G190-V192 VanDerWaalsContact C-N 3.35Å; G190-V192 PolarHBondContact O-N 3.36Å; V192-R194 VanDerWaalsContact C-N 3.25Å; V192-R194 PolarHBondContact O-N 2.81Å; V192-K195 PolarHBondContact O-N 2.73Å; V192-L196 HydrophobicContact CG1-CD1 3.89Å; V192-L196 HydrophobicContact CG1-CG 4.23Å; V192-L196 WeakPolarHBondContact O-CG 3.42Å; V192-L196 PolarHBondContact O-N 2.89Å; V192-L196 VanDerWaalsContact O-N 3.16Å; V192-L205 HydrophobicContact CG1-CD1 4.03Å
193A93.1Very high94.1Very high2 Ų278.3 Ų78.32%0.01738%0.378CS..Hα-helixtrans-55.8-38.8-178.300000112.8I189 G190 L196 K202 L205I189-A193 VanDerWaalsContact O-CB 3.24Å; I189-A193 WeakPolarHBondContact O-CB 3.42Å; I189-A193 PolarHBondContact O-N 2.74Å; G190-A193 PolarHBondContact O-N 3.22Å; A193-L196 PolarHBondContact O-N 2.86Å; A193-K202 WeakPolarHBondContact O-CE 3.5Å; A193-L205 HydrophobicContact CB-CB 4.07Å
194R89.6Confident94.2Very high140 Ų14083.4 Ų83.453%0.52839%0.394SS..Hα-helixtrans-69.2-32177.6-72.1-173.7-58.8177.56.7114.1G190 V192 S278 C279G190-R194 WeakPolarHBondContact O-CG 3.39Å; G190-R194 PolarHBondContact O-N 3.09Å; G190-R194 VanDerWaalsContact O-N 3.15Å; V192-R194 VanDerWaalsContact C-N 3.25Å; V192-R194 PolarHBondContact O-N 2.81Å; R194-S278 PolarHBondContact NH1-O 3.44Å; R194-S278 VanDerWaalsContact NH1-O 3.14Å; R194-C279 WeakPolarHBondContact CD-O 3.45Å; R194-C279 PolarHBondContact NE-O 2.86Å; R194-C279 VanDerWaalsContact NH2-CB 3.25Å; R194-C279 PolarHBondContact NH2-SG 2.81Å
195K92.5Very high94.2Very high186 Ų18678.8 Ų78.881%0.80937%0.374SS*.Hα-helixtrans-80.7-17.8178.9-70.3-177.8179.2-1750113A191 V192A191-K195 WeakPolarHBondContact O-CG 3.49Å; V192-K195 PolarHBondContact O-N 2.73Å
196L93.9Very high94.1Very high46 Ų4676.2 Ų76.224%0.24137%0.367CS..SBendtrans-76.3142.6-178.7-72.1171.1000112.2V192 A193 F201 K202 L205V192-L196 HydrophobicContact CG1-CD1 3.89Å; V192-L196 HydrophobicContact CG1-CG 4.23Å; V192-L196 WeakPolarHBondContact O-CG 3.42Å; V192-L196 PolarHBondContact O-N 2.89Å; V192-L196 VanDerWaalsContact O-N 3.16Å; A193-L196 PolarHBondContact O-N 2.86Å; L196-F201 HydrophobicContact CD1-CD1 3.67Å; L196-F201 HydrophobicContact CD1-CE1 3.83Å; L196-K202 HydrophobicContact CB-CB 4.05Å; L196-K202 HydrophobicContact CB-CD 4.37Å; L196-K202 HydrophobicContact CB-CG 4.24Å; L196-K202 HydrophobicContact CD1-CB 4.47Å; L196-K202 WeakPolarHBondContact O-CD 3.32Å; L196-K202 WeakPolarHBondContact O-CE 3.47Å; L196-K202 PolarHBondContact O-NZ 3.16Å; L196-L205 HydrophobicContact CD1-CD1 3.59Å
197P94Very high94Very high89 Ų8978.4 Ų78.458%0.57838%0.38SS*.  trans-66.9158.1169.330-34.7000110.8S199 K202P197-S199 PolarHBondContact O-N 3.31Å; P197-S199 PolarHBondContact O-OG 3.07Å; P197-S199 VanDerWaalsContact O-OG 3.06Å; P197-K202 WeakPolarHBondContact O-CD 3.4Å
198P91.2Very high93.9Very high122 Ų12276.7 Ų76.779%0.79238%0.377SS*.SBendtrans-50113.6174.1-25.534.8000111.1
199S94.3Very high93.9Very high42 Ų4273.9 Ų73.929%0.29436%0.363SS..  trans-157.9160.8-174.659.50000110P197 F201 K202 N203P197-S199 PolarHBondContact O-N 3.31Å; P197-S199 PolarHBondContact O-OG 3.07Å; P197-S199 VanDerWaalsContact O-OG 3.06Å; S199-F201 PolarHBondContact O-N 3.3Å; S199-K202 PolarHBondContact O-N 2.92Å; S199-K202 WeakPolarHBondContact OG-CB 3.39Å; S199-K202 PolarHBondContact OG-N 3.4Å; S199-K202 VanDerWaalsContact OG-N 3.16Å; S199-N203 PolarHBondContact O-N 3Å; S199-N203 PolarHBondContact O-OD1 3.22Å
200R94.6Very high94Very high231 Ų23172.2 Ų72.287%0.87236%0.355SS*.Hα-helixtrans-58.1-39.1175.3-68.5-175.1179.2179.9-0.2111.9N203 W204R200-N203 PolarHBondContact O-N 3.16Å; R200-W204 WeakPolarHBondContact O-CB 3.35Å; R200-W204 PolarHBondContact O-N 3.2Å
201F95.1Very high94.1Very high115 Ų11572.8 Ų72.850%0.50436%0.357SS..Hα-helixtrans-67.1-42.6178.3-178.4-116.7000112.3L196 S199 N203 W204 L205L196-F201 HydrophobicContact CD1-CD1 3.67Å; L196-F201 HydrophobicContact CD1-CE1 3.83Å; S199-F201 PolarHBondContact O-N 3.3Å; F201-N203 VanDerWaalsContact C-N 3.35Å; F201-N203 PolarHBondContact O-N 3.2Å; F201-W204 HydrophobicContact CD2-CE3 4.28Å; F201-W204 HydrophobicContact CE2-CE3 4.06Å; F201-W204 HydrophobicContact CE2-CZ3 4.21Å; F201-W204 PolarHBondContact O-N 3.19Å; F201-L205 HydrophobicContact CD1-CD1 3.91Å; F201-L205 HydrophobicContact CD2-CG 4.5Å; F201-L205 HydrophobicContact CE1-CD1 3.38Å; F201-L205 HydrophobicContact CE1-CG 4.11Å; F201-L205 HydrophobicContact CE2-CD1 4.25Å; F201-L205 HydrophobicContact CE2-CD2 4.36Å; F201-L205 HydrophobicContact CE2-CG 4.08Å; F201-L205 HydrophobicContact CZ-CD1 3.58Å; F201-L205 HydrophobicContact CZ-CD2 4.12Å; F201-L205 HydrophobicContact CZ-CG 3.88Å; F201-L205 WeakPolarHBondContact O-CG 3.46Å; F201-L205 PolarHBondContact O-N 3.28Å
202K94.6Very high94.2Very high52 Ų5272.6 Ų72.623%0.22636%0.355CS..Hα-helixtrans-56.7-49.6171.3178.3-176.2-174.4162.60111.2A193 L196 P197 S199 W204 L205 S206A193-K202 WeakPolarHBondContact O-CE 3.5Å; L196-K202 HydrophobicContact CB-CB 4.05Å; L196-K202 HydrophobicContact CB-CD 4.37Å; L196-K202 HydrophobicContact CB-CG 4.24Å; L196-K202 HydrophobicContact CD1-CB 4.47Å; L196-K202 WeakPolarHBondContact O-CD 3.32Å; L196-K202 WeakPolarHBondContact O-CE 3.47Å; L196-K202 PolarHBondContact O-NZ 3.16Å; P197-K202 WeakPolarHBondContact O-CD 3.4Å; S199-K202 PolarHBondContact O-N 2.92Å; S199-K202 WeakPolarHBondContact OG-CB 3.39Å; S199-K202 PolarHBondContact OG-N 3.4Å; S199-K202 VanDerWaalsContact OG-N 3.16Å; K202-W204 VanDerWaalsContact C-N 3.31Å; K202-W204 PolarHBondContact O-N 3.4Å; K202-L205 PolarHBondContact O-N 3Å; K202-S206 WeakPolarHBondContact O-CB 3.41Å; K202-S206 PolarHBondContact O-N 3.43Å; K202-S206 PolarHBondContact O-OG 3.32Å
203N93.1Very high94.3Very high99 Ų9969.9 Ų69.953%0.52934%0.34SS..Hα-helixtrans-61.3-41.4-179.1-68.4-4.7000111.5S199 R200 F201 S206 T207S199-N203 PolarHBondContact O-N 3Å; S199-N203 PolarHBondContact O-OD1 3.22Å; R200-N203 PolarHBondContact O-N 3.16Å; F201-N203 VanDerWaalsContact C-N 3.35Å; F201-N203 PolarHBondContact O-N 3.2Å; N203-S206 PolarHBondContact O-N 3.16Å; N203-T207 WeakPolarHBondContact O-CB 3.28Å; N203-T207 WeakPolarHBondContact O-CG2 3.26Å; N203-T207 PolarHBondContact O-N 3Å; N203-T207 VanDerWaalsContact O-N 3.08Å; N203-T207 PolarHBondContact O-OG1 2.69Å
204W95.7Very high94.5Very high134 Ų13469.8 Ų69.851%0.50834%0.339SS..Hα-helixtrans-62.3-46174.717985000112R200 F201 K202 S206 T207 E208 G209R200-W204 WeakPolarHBondContact O-CB 3.35Å; R200-W204 PolarHBondContact O-N 3.2Å; F201-W204 HydrophobicContact CD2-CE3 4.28Å; F201-W204 HydrophobicContact CE2-CE3 4.06Å; F201-W204 HydrophobicContact CE2-CZ3 4.21Å; F201-W204 PolarHBondContact O-N 3.19Å; K202-W204 VanDerWaalsContact C-N 3.31Å; K202-W204 PolarHBondContact O-N 3.4Å; W204-S206 PolarHBondContact O-N 2.98Å; W204-T207 CarbonylContact O-C 3.58Å; W204-T207 PolarHBondContact O-N 3.06Å; W204-T207 PolarHBondContact O-OG1 3.46Å; W204-E208 PolarHBondContact O-N 2.94Å; W204-G209 PolarHBondContact O-N 3.38Å
205L95.4Very high94.8Very high13 Ų1364.3 Ų64.37%0.06832%0.318CS..Iπ-helixtrans-60.8-46.2176.3-77.5174.9000111.5I189 V192 A193 L196 F201 K202 T207 G209 I210I189-L205 HydrophobicContact CG2-CD2 4.18Å; V192-L205 HydrophobicContact CG1-CD1 4.03Å; A193-L205 HydrophobicContact CB-CB 4.07Å; L196-L205 HydrophobicContact CD1-CD1 3.59Å; F201-L205 HydrophobicContact CD1-CD1 3.91Å; F201-L205 HydrophobicContact CD2-CG 4.5Å; F201-L205 HydrophobicContact CE1-CD1 3.38Å; F201-L205 HydrophobicContact CE1-CG 4.11Å; F201-L205 HydrophobicContact CE2-CD1 4.25Å; F201-L205 HydrophobicContact CE2-CD2 4.36Å; F201-L205 HydrophobicContact CE2-CG 4.08Å; F201-L205 HydrophobicContact CZ-CD1 3.58Å; F201-L205 HydrophobicContact CZ-CD2 4.12Å; F201-L205 HydrophobicContact CZ-CG 3.88Å; F201-L205 WeakPolarHBondContact O-CG 3.46Å; F201-L205 PolarHBondContact O-N 3.28Å; K202-L205 PolarHBondContact O-N 3Å; L205-T207 PolarHBondContact O-N 2.97Å; L205-G209 CarbonylContact O-C 3.6Å; L205-I210 WeakPolarHBondContact O-CG1 3.49Å; L205-I210 PolarHBondContact O-N 2.94Å
206S92.9Very high95.1Very high29 Ų2956 Ų5620%0.20328%0.283CS..Iπ-helixtrans-68.4-11.6179.3-68.90000114K202 N203 W204K202-S206 WeakPolarHBondContact O-CB 3.41Å; K202-S206 PolarHBondContact O-N 3.43Å; K202-S206 PolarHBondContact O-OG 3.32Å; N203-S206 PolarHBondContact O-N 3.16Å; W204-S206 PolarHBondContact O-N 2.98Å
207T93.7Very high95.2Very high55 Ų5554.7 Ų54.734%0.33728%0.276SS..Iπ-helixtrans-117.9-93.417854.90000110.4N203 W204 L205 G209 I210 Q211N203-T207 WeakPolarHBondContact O-CB 3.28Å; N203-T207 WeakPolarHBondContact O-CG2 3.26Å; N203-T207 PolarHBondContact O-N 3Å; N203-T207 VanDerWaalsContact O-N 3.08Å; N203-T207 PolarHBondContact O-OG1 2.69Å; W204-T207 CarbonylContact O-C 3.58Å; W204-T207 PolarHBondContact O-N 3.06Å; W204-T207 PolarHBondContact O-OG1 3.46Å; L205-T207 PolarHBondContact O-N 2.97Å; T207-G209 VanDerWaalsContact C-N 3.28Å; T207-G209 PolarHBondContact O-N 3.3Å; T207-I210 PolarHBondContact O-N 3.02Å; T207-Q211 WeakPolarHBondContact O-CG 3.31Å; T207-Q211 PolarHBondContact O-N 3.17Å
208E94.8Very high95.3Very high72 Ų7250.8 Ų50.834%0.33625%0.25SS..Iπ-helixtrans-57.6-37.1-176.8-65.7-61.6143.700113.2K30 W204 Q211 A212K30-E208 WeakPolarHBondContact CE-OE2 3.04Å; K30-E208 IonicContact NZ-OE1 3.62Å; K30-E208 IonicContact NZ-OE2 2.94Å; K30-E208 PolarHBondContact NZ-OE2 2.88Å; W204-E208 PolarHBondContact O-N 2.94Å; E208-Q211 PolarHBondContact O-N 2.9Å; E208-A212 WeakPolarHBondContact O-CB 3.06Å; E208-A212 PolarHBondContact O-N 3.05Å
209G95.8Very high95.6Very high3 Ų345.5 Ų45.53%0.03122%0.216CC..Iπ-helixtrans-62.5-48.717800000112.6W204 L205 T207 A212 A213W204-G209 PolarHBondContact O-N 3.38Å; L205-G209 CarbonylContact O-C 3.6Å; T207-G209 VanDerWaalsContact C-N 3.28Å; T207-G209 PolarHBondContact O-N 3.3Å; G209-A212 PolarHBondContact O-N 2.86Å; G209-A213 PolarHBondContact O-N 3.46Å
210I95.6Very high95.7Very high2 Ų243.5 Ų43.51%0.0120%0.202CC..Hα-helixtrans-63.4-44.3174.5-73.7168.2000110.8I189 L205 T207 A212 A213 V214 A280 V281I189-I210 HydrophobicContact CG2-CG1 3.93Å; L205-I210 WeakPolarHBondContact O-CG1 3.49Å; L205-I210 PolarHBondContact O-N 2.94Å; T207-I210 PolarHBondContact O-N 3.02Å; I210-A212 VanDerWaalsContact C-N 3.29Å; I210-A212 PolarHBondContact O-N 2.91Å; I210-A213 WeakPolarHBondContact O-CB 3.38Å; I210-A213 PolarHBondContact O-N 3.03Å; I210-A213 VanDerWaalsContact O-N 3.12Å; I210-V214 HydrophobicContact CG2-CG2 4.22Å; I210-V214 WeakPolarHBondContact O-CG2 3.41Å; I210-V214 PolarHBondContact O-N 3.11Å; I210-A280 HydrophobicContact CD1-CB 3.96Å; I210-A280 WeakPolarHBondContact CD1-O 3.37Å; I210-A280 HydrophobicContact CG1-CB 4.21Å; I210-A280 HydrophobicContact CG2-CB 4.42Å; I210-V281 HydrophobicContact CD1-CG1 4.18Å; I210-V281 HydrophobicContact CG2-CG1 4.16Å
211Q96.8Very high95.8Very high11 Ų1132.7 Ų32.75%0.05116%0.161CC..Hα-helixtrans-60.5-39.9178.2-65.5174.715.600111.7T207 E208 V214 R215 A254 D256 T258T207-Q211 WeakPolarHBondContact O-CG 3.31Å; T207-Q211 PolarHBondContact O-N 3.17Å; E208-Q211 PolarHBondContact O-N 2.9Å; Q211-V214 PolarHBondContact O-N 3.12Å; Q211-R215 VanDerWaalsContact O-CG 3.27Å; Q211-R215 WeakPolarHBondContact O-CG 3.07Å; Q211-R215 PolarHBondContact O-N 3.39Å; Q211-A254 WeakPolarHBondContact CG-O 3.23Å; Q211-D256 PolarHBondContact NE2-O 2.99Å; Q211-D256 PolarHBondContact OE1-O 3.14Å; Q211-T258 PolarHBondContact NE2-OG1 3.45Å
212A96.9Very high95.8Very high18 Ų1827.8 Ų27.815%0.14914%0.141CC..Hα-helixtrans-64.2-41.9174.600000111.7E208 G209 I210 V214 R215 L216E208-A212 WeakPolarHBondContact O-CB 3.06Å; E208-A212 PolarHBondContact O-N 3.05Å; G209-A212 PolarHBondContact O-N 2.86Å; I210-A212 VanDerWaalsContact C-N 3.29Å; I210-A212 PolarHBondContact O-N 2.91Å; A212-V214 PolarHBondContact O-N 3.15Å; A212-R215 PolarHBondContact O-N 3.13Å; A212-L216 PolarHBondContact O-N 2.92Å
213A96.8Very high95.9Very high6 Ų625.5 Ų25.55%0.0513%0.132CC..Hα-helixtrans-61.3-44174.500000111.8I189 G209 I210 L216 N217I189-A213 HydrophobicContact CD1-CB 3.82Å; G209-A213 PolarHBondContact O-N 3.46Å; I210-A213 WeakPolarHBondContact O-CB 3.38Å; I210-A213 PolarHBondContact O-N 3.03Å; I210-A213 VanDerWaalsContact O-N 3.12Å; A213-L216 WeakPolarHBondContact O-CB 3.42Å; A213-L216 PolarHBondContact O-N 2.88Å; A213-L216 VanDerWaalsContact O-N 3.15Å; A213-N217 PolarHBondContact O-N 3.37Å; A213-N217 PolarHBondContact O-ND2 3.42Å
214V96.5Very high96Very high1 Ų120.9 Ų20.91%0.00611%0.108CC..Hα-helixtrans-64-42.5176.6172.40000111.5I210 Q211 A212 L216 N217 L218 W250 C251 A254I210-V214 HydrophobicContact CG2-CG2 4.22Å; I210-V214 WeakPolarHBondContact O-CG2 3.41Å; I210-V214 PolarHBondContact O-N 3.11Å; Q211-V214 PolarHBondContact O-N 3.12Å; A212-V214 PolarHBondContact O-N 3.15Å; V214-L216 PolarHBondContact O-N 3.04Å; V214-N217 WeakPolarHBondContact O-CB 3.41Å; V214-N217 PolarHBondContact O-N 3.48Å; V214-N217 VanDerWaalsContact O-N 3.12Å; V214-L218 HydrophobicContact CG1-CD1 4.2Å; V214-L218 PolarHBondContact O-N 3.34Å; V214-W250 HydrophobicContact CG2-CH2 3.99Å; V214-W250 HydrophobicContact CG2-CZ3 4Å; V214-C251 HydrophobicContact CG1-CB 3.9Å; V214-C251 WeakPolarHBondContact CG1-O 3.47Å; V214-A254 HydrophobicContact CG1-CB 4.07Å; V214-A254 HydrophobicContact CG2-CB 4.33Å
215R97.4Very high96Very high24 Ų2415.1 Ų15.19%0.0919%0.087CC..Hα-helixtrans-57.8-38.3172.2-72.3171.5-162.2112.35.4111.7A27 K30 Q211 A212 L218 C219 S255A27-R215 HydrophobicContact CB-CB 3.82Å; A27-R215 WeakPolarHBondContact O-CD 3.2Å; K30-R215 VanDerWaalsContact CE-CZ 3.44Å; K30-R215 VanDerWaalsContact CE-NH2 3.33Å; Q211-R215 VanDerWaalsContact O-CG 3.27Å; Q211-R215 WeakPolarHBondContact O-CG 3.07Å; Q211-R215 PolarHBondContact O-N 3.39Å; A212-R215 PolarHBondContact O-N 3.13Å; R215-L218 WeakPolarHBondContact O-CB 3.4Å; R215-L218 PolarHBondContact O-N 3.47Å; R215-C219 PolarHBondContact O-N 3.31Å; R215-C219 PolarHBondContact O-SG 3.48Å; R215-S255 PolarHBondContact NE-O 3.37Å; R215-S255 PolarHBondContact NH2-O 3.03Å
216L97.1Very high96Very high12 Ų1218.7 Ų18.76%0.06310%0.099CC..Hα-helixtrans-67.1-37.2176.9-171.761000112.1V24 A27 V178 F185 A212 A213 V214 L218 C219V24-L216 HydrophobicContact CG2-CD1 4.07Å; V24-L216 HydrophobicContact CG2-CD2 4.31Å; A27-L216 HydrophobicContact CB-CB 3.78Å; A27-L216 HydrophobicContact CB-CD1 4.17Å; V178-L216 HydrophobicContact CG1-CD1 4.2Å; F185-L216 HydrophobicContact CD2-CD2 4.02Å; A212-L216 PolarHBondContact O-N 2.92Å; A213-L216 WeakPolarHBondContact O-CB 3.42Å; A213-L216 PolarHBondContact O-N 2.88Å; A213-L216 VanDerWaalsContact O-N 3.15Å; V214-L216 PolarHBondContact O-N 3.04Å; L216-L218 VanDerWaalsContact C-N 3.32Å; L216-L218 PolarHBondContact O-N 3.21Å; L216-C219 WeakPolarHBondContact O-CB 3.21Å; L216-C219 PolarHBondContact O-N 2.8Å
217N96.7Very high96.2Very high19 Ų1918.6 Ų18.610%0.10210%0.095CC..Hα-helixtrans-60.1-45.6171.9-74.3-99.3000110.7S182 V183 T186 A213 V214 C219 S220S182-N217 VanDerWaalsContact OG-CA 3.32Å; S182-N217 WeakPolarHBondContact OG-CA 2.98Å; S182-N217 PolarHBondContact OG-OD1 3.43Å; V183-N217 VanDerWaalsContact CG2-OD1 3.26Å; V183-N217 WeakPolarHBondContact CG2-OD1 3.23Å; T186-N217 PolarHBondContact OG1-ND2 3.25Å; A213-N217 PolarHBondContact O-N 3.37Å; A213-N217 PolarHBondContact O-ND2 3.42Å; V214-N217 WeakPolarHBondContact O-CB 3.41Å; V214-N217 PolarHBondContact O-N 3.48Å; V214-N217 VanDerWaalsContact O-N 3.12Å; N217-C219 PolarHBondContact O-N 2.76Å; N217-S220 WeakPolarHBondContact O-CB 3.48Å; N217-S220 PolarHBondContact O-N 2.94Å; N217-S220 VanDerWaalsContact O-N 3.11Å; N217-S220 PolarHBondContact O-OG 3.21Å
218L97.3Very high96.4Very high6 Ų618.6 Ų18.63%0.0319%0.091CC..Hα-helixtrans-64-27.1177.9-73.6163000113.2V214 R215 L216 S220 F221 S222 A223 I225 C251 V252V214-L218 HydrophobicContact CG1-CD1 4.2Å; V214-L218 PolarHBondContact O-N 3.34Å; R215-L218 WeakPolarHBondContact O-CB 3.4Å; R215-L218 PolarHBondContact O-N 3.47Å; L216-L218 VanDerWaalsContact C-N 3.32Å; L216-L218 PolarHBondContact O-N 3.21Å; L218-S220 VanDerWaalsContact C-N 3.26Å; L218-S220 PolarHBondContact O-N 3.08Å; L218-F221 PolarHBondContact O-N 3.47Å; L218-S222 PolarHBondContact O-N 2.85Å; L218-A223 HydrophobicContact CB-CB 3.85Å; L218-A223 HydrophobicContact CD2-CB 4.1Å; L218-A223 WeakPolarHBondContact O-CB 3.22Å; L218-A223 PolarHBondContact O-N 2.95Å; L218-I225 HydrophobicContact CD1-CD1 3.55Å; L218-I225 HydrophobicContact CD2-CD1 4.43Å; L218-I225 HydrophobicContact CG-CD1 4.47Å; L218-C251 HydrophobicContact CD1-CB 4.35Å; L218-C251 WeakPolarHBondContact CD1-O 3.2Å; L218-C251 HydrophobicContact CD2-CB 3.97Å; L218-C251 HydrophobicContact CG-CB 4.09Å; L218-V252 HydrophobicContact CD2-CG2 3.95Å
219C96.5Very high96.6Very high11 Ų1118.7 Ų18.77%0.0749%0.094CC..Hα-helixtrans-63.9-29.2173.5-68.20000112.9V178 R215 L216 N217 F221 S222V178-C219 HydrophobicContact CG1-CB 4.4Å; R215-C219 PolarHBondContact O-N 3.31Å; R215-C219 PolarHBondContact O-SG 3.48Å; L216-C219 WeakPolarHBondContact O-CB 3.21Å; L216-C219 PolarHBondContact O-N 2.8Å; N217-C219 PolarHBondContact O-N 2.76Å; C219-F221 PolarHBondContact O-N 3.4Å; C219-S222 PolarHBondContact O-N 3.48Å
220S96.2Very high96.7Very high0 Ų024.2 Ų24.20%011%0.114CC..THydrogen-bonded Turntrans-64.7-19173.4730000113.4R175 N217 L218R175-S220 WeakPolarHBondContact CB-O 3.35Å; R175-S220 WeakPolarHBondContact CD-O 3.28Å; R175-S220 WeakPolarHBondContact CG-O 3.33Å; N217-S220 WeakPolarHBondContact O-CB 3.48Å; N217-S220 PolarHBondContact O-N 2.94Å; N217-S220 VanDerWaalsContact O-N 3.11Å; N217-S220 PolarHBondContact O-OG 3.21Å; L218-S220 VanDerWaalsContact C-N 3.26Å; L218-S220 PolarHBondContact O-N 3.08Å
221F96.3Very high96.8Very high4 Ų430.4 Ų30.42%0.01814%0.143CC..THydrogen-bonded Turntrans-103.49.2174.9-52.1-55.5000112.3F179 L218 C219 A223 F248 I371 M372 I377F179-F221 HydrophobicContact CD2-CZ 4.07Å; F179-F221 AromaticContact CE2-CZ 3.94Å; F179-F221 HydrophobicContact CE2-CZ 3.94Å; L218-F221 PolarHBondContact O-N 3.47Å; C219-F221 PolarHBondContact O-N 3.4Å; F221-A223 PolarHBondContact O-N 3.21Å; F221-F248 HydrophobicContact CE1-CE2 4.11Å; F221-F248 HydrophobicContact CE1-CZ 4.16Å; F221-F248 HydrophobicContact CE2-CD1 4.13Å; F221-F248 HydrophobicContact CE2-CD2 4.16Å; F221-F248 AromaticContact CE2-CE1 3.92Å; F221-F248 HydrophobicContact CE2-CE1 3.92Å; F221-F248 AromaticContact CE2-CE2 3.94Å; F221-F248 HydrophobicContact CE2-CE2 3.94Å; F221-F248 HydrophobicContact CE2-CG 4.26Å; F221-F248 AromaticContact CE2-CZ 3.82Å; F221-F248 HydrophobicContact CE2-CZ 3.82Å; F221-F248 HydrophobicContact CZ-CD2 4.34Å; F221-F248 AromaticContact CZ-CE1 3.86Å; F221-F248 HydrophobicContact CZ-CE1 3.86Å; F221-F248 AromaticContact CZ-CE2 3.66Å; F221-F248 HydrophobicContact CZ-CE2 3.66Å; F221-F248 AromaticContact CZ-CZ 3.39Å; F221-F248 HydrophobicContact CZ-CZ 3.39Å; F221-I371 HydrophobicContact CB-CG2 3.7Å; F221-I371 HydrophobicContact CD1-CB 3.97Å; F221-I371 HydrophobicContact CD1-CG2 3.4Å; F221-I371 HydrophobicContact CE1-CB 4.35Å; F221-I371 HydrophobicContact CE1-CG2 4.2Å; F221-I371 HydrophobicContact CG-CG2 3.7Å; F221-M372 HydrophobicContact CD1-CE 4.48Å; F221-M372 HydrophobicContact CD1-CG 3.8Å; F221-M372 HydrophobicContact CE1-CE 3.65Å; F221-M372 HydrophobicContact CE1-CG 3.74Å; F221-M372 HydrophobicContact CZ-CE 4.18Å; F221-I377 HydrophobicContact CB-CD1 3.8Å; F221-I377 HydrophobicContact CB-CG1 4.11Å; F221-I377 HydrophobicContact CD2-CD1 4.45Å; F221-I377 HydrophobicContact CG-CD1 4.24Å; F221-I377 PolarHBondContact O-N 2.65Å; F221-I377 VanDerWaalsContact O-N 3.16Å
222S95.7Very high96.9Very high12 Ų1231.3 Ų31.38%0.08415%0.148CC..THydrogen-bonded Turntrans48.341-172-620000112.5R175 L218 C219 V224 A376R175-S222 PolarHBondContact NE-OG 3.48Å; R175-S222 VanDerWaalsContact NH2-CB 3.32Å; R175-S222 PolarHBondContact NH2-OG 2.9Å; L218-S222 PolarHBondContact O-N 2.85Å; C219-S222 PolarHBondContact O-N 3.48Å; S222-V224 PolarHBondContact O-N 3.02Å; S222-A376 WeakPolarHBondContact O-CB 3.45Å
223A96.4Very high97Very high4 Ų433.9 Ų33.93%0.03315%0.154CC..  trans-67.1133.2-174.800000112.1Q32 L218 F221 I225 I377Q32-A223 PolarHBondContact NE2-O 3.45Å; L218-A223 HydrophobicContact CB-CB 3.85Å; L218-A223 HydrophobicContact CD2-CB 4.1Å; L218-A223 WeakPolarHBondContact O-CB 3.22Å; L218-A223 PolarHBondContact O-N 2.95Å; F221-A223 PolarHBondContact O-N 3.21Å; A223-I225 HydrophobicContact CB-CG1 4.36Å; A223-I377 CarbonylContact C-O 3.56Å; A223-I377 WeakPolarHBondContact CA-O 3.44Å; A223-I377 HydrophobicContact CB-CB 4.06Å; A223-I377 HydrophobicContact CB-CG2 4.35Å
224V95.5Very high97Very high3 Ų334 Ų342%0.01815%0.154CC..EExtended strand (participates in β ladder)trans-115120.6167.8178.50000107.2Q35 H36 I39 S222 I377 V379Q35-V224 HydrophobicContact CB-CG2 3.49Å; Q35-V224 VanDerWaalsContact CB-CG2 3.49Å; Q35-V224 HydrophobicContact CG-CG2 4.43Å; H36-V224 VanDerWaalsContact CE1-CG1 3.43Å; H36-V224 WeakPolarHBondContact CE1-CG1 3.4Å; I39-V224 HydrophobicContact CG1-CG2 3.92Å; S222-V224 PolarHBondContact O-N 3.02Å; V224-I377 PolarHBondContact N-O 3.3Å; V224-V379 PolarHBondContact O-N 2.89Å
225I95.7Very high97Very high13 Ų1339.9 Ų39.97%0.06718%0.18CC..EExtended strand (participates in β ladder)trans-123.8119.9-171.8-51174.6000108.6L218 A223 F227 V252 S255 V379 V381L218-I225 HydrophobicContact CD1-CD1 3.55Å; L218-I225 HydrophobicContact CD2-CD1 4.43Å; L218-I225 HydrophobicContact CG-CD1 4.47Å; A223-I225 HydrophobicContact CB-CG1 4.36Å; I225-F227 HydrophobicContact CB-CE2 3.98Å; I225-F227 HydrophobicContact CB-CZ 4.32Å; I225-F227 HydrophobicContact CG2-CD1 4.42Å; I225-F227 HydrophobicContact CG2-CD2 3.91Å; I225-F227 HydrophobicContact CG2-CE1 3.91Å; I225-F227 HydrophobicContact CG2-CE2 3.33Å; I225-F227 HydrophobicContact CG2-CG 4.42Å; I225-F227 HydrophobicContact CG2-CZ 3.32Å; I225-V252 HydrophobicContact CD1-CB 4.43Å; I225-V252 HydrophobicContact CD1-CG1 4.19Å; I225-V252 HydrophobicContact CD1-CG2 4.33Å; I225-V252 HydrophobicContact CG2-CG1 4.13Å; I225-S255 WeakPolarHBondContact CD1-OG 3.4Å; I225-V379 WeakPolarHBondContact CA-O 3.45Å; I225-V379 HydrophobicContact CB-CG1 4.14Å; I225-V379 HydrophobicContact CG1-CG1 3.67Å; I225-V379 HydrophobicContact CG2-CG1 4.02Å; I225-V381 HydrophobicContact CG2-CG2 4.1Å
226R95.8Very high97Very high87 Ų8740.9 Ų40.933%0.32819%0.193SC..EExtended strand (participates in β ladder)trans-106.1119.8175.4-67.2-172.4-62.9-158.82.9109.2V379 D380 V381R226-V379 PolarHBondContact N-O 3.26Å; R226-D380 VanDerWaalsContact CB-OD1 3.26Å; R226-D380 WeakPolarHBondContact CB-OD1 3.49Å; R226-D380 IonicContact CZ-OD1 3.34Å; R226-D380 IonicContact CZ-OD2 2.79Å; R226-D380 IonicContact NE-OD1 2.78Å; R226-D380 PolarHBondContact NE-OD1 2.99Å; R226-D380 IonicContact NE-OD2 3.89Å; R226-D380 PolarHBondContact NE-OD2 2.78Å; R226-D380 IonicContact NH2-OD1 2.9Å; R226-D380 PolarHBondContact NH2-OD1 3.21Å; R226-D380 IonicContact NH2-OD2 3.62Å; R226-D380 PolarHBondContact NH2-OD2 3.34Å; R226-D380 CarbonylContact O-C 3.48Å; R226-D380 WeakPolarHBondContact O-CA 3.26Å; R226-V381 PolarHBondContact O-N 2.53Å
227F97.4Very high96.9Very high27 Ų2742.8 Ų42.812%0.11820%0.204CC..EExtended strand (participates in β ladder)trans-104123.2178.9-66.4-81.4000109.9I225 R230 V252 S255 D256 V381 Y383I225-F227 HydrophobicContact CB-CE2 3.98Å; I225-F227 HydrophobicContact CB-CZ 4.32Å; I225-F227 HydrophobicContact CG2-CD1 4.42Å; I225-F227 HydrophobicContact CG2-CD2 3.91Å; I225-F227 HydrophobicContact CG2-CE1 3.91Å; I225-F227 HydrophobicContact CG2-CE2 3.33Å; I225-F227 HydrophobicContact CG2-CG 4.42Å; I225-F227 HydrophobicContact CG2-CZ 3.32Å; F227-R230 HydrophobicContact CB-CG 4.07Å; F227-R230 PolarHBondContact O-NE 3.39Å; F227-V252 WeakPolarHBondContact CZ-O 3.21Å; F227-S255 WeakPolarHBondContact CZ-OG 3.08Å; F227-D256 HydrophobicContact CD1-CB 4.1Å; F227-D256 HydrophobicContact CD2-CB 4.21Å; F227-D256 HydrophobicContact CE1-CB 3.61Å; F227-D256 HydrophobicContact CE2-CB 3.73Å; F227-D256 HydrophobicContact CG-CB 4.37Å; F227-D256 HydrophobicContact CZ-CB 3.4Å; F227-D256 VanDerWaalsContact CZ-CB 3.4Å; F227-V381 CarbonylContact C-O 3.58Å; F227-V381 WeakPolarHBondContact CA-O 3.1Å; F227-V381 HydrophobicContact CD1-CB 3.64Å; F227-V381 HydrophobicContact CD1-CG1 3.77Å; F227-V381 HydrophobicContact CD1-CG2 4.22Å; F227-V381 HydrophobicContact CE1-CB 3.89Å; F227-V381 HydrophobicContact CE1-CG1 3.93Å; F227-V381 HydrophobicContact CE1-CG2 3.98Å; F227-Y383 HydrophobicContact CB-CE2 4.23Å; F227-Y383 AromaticContact CD1-CE2 3.64Å; F227-Y383 HydrophobicContact CD1-CE2 3.64Å; F227-Y383 AromaticContact CD1-CZ 3.78Å; F227-Y383 VanDerWaalsContact CD1-OH 3.31Å; F227-Y383 WeakPolarHBondContact CD1-OH 3.33Å; F227-Y383 HydrophobicContact CE1-CE2 4.45Å; F227-Y383 VanDerWaalsContact CE1-OH 3.3Å; F227-Y383 WeakPolarHBondContact CE1-OH 3.15Å; F227-Y383 HydrophobicContact CG-CE2 4.32Å
228H98.3Very high97Very high55 Ų5542.3 Ų42.326%0.25520%0.201SC..EExtended strand (participates in β ladder)trans-108150.5179.9-54.3-80.7000110.2R230 D380 V381 W382 Y383H228-R230 VanDerWaalsContact C-N 3.33Å; H228-R230 PolarHBondContact O-N 2.64Å; H228-D380 IonicContact CD2-OD1 2.65Å; H228-D380 IonicContact CE1-OD1 3.46Å; H228-D380 IonicContact NE2-OD1 3.55Å; H228-D380 PolarHBondContact NE2-OD1 2.86Å; H228-V381 PolarHBondContact N-O 2.64Å; H228-W382 HydrophobicContact CB-CB 4.43Å; H228-W382 HydrophobicContact CB-CD2 4.46Å; H228-W382 HydrophobicContact CB-CG 3.83Å; H228-W382 AromaticContact CD2-CD1 3.84Å; H228-W382 AromaticContact CD2-CD2 3.71Å; H228-W382 AromaticContact CD2-CE2 3.4Å; H228-W382 AromaticContact CD2-CG 3.99Å; H228-W382 AromaticContact CD2-CZ2 3.88Å; H228-W382 AromaticContact CD2-NE1 3.44Å; H228-W382 PolarHBondContact CD2-NE1 2.66Å; H228-W382 AromaticContact CG-CD1 3.67Å; H228-W382 AromaticContact CG-CE2 3.92Å; H228-W382 AromaticContact CG-NE1 3.44Å; H228-W382 AromaticContact NE2-CE2 3.87Å; H228-W382 AromaticContact NE2-CZ2 3.89Å; H228-Y383 WeakPolarHBondContact O-CD2 3.47Å; H228-Y383 PolarHBondContact O-N 2.9Å
229N98.4Very high97Very high74 Ų7442 Ų4240%0.39620%0.2SC..  trans55.944.3175-56.24.5000113.4E231 N232 Y383N229-E231 VanDerWaalsContact C-CD 3.42Å; N229-E231 VanDerWaalsContact CA-OE1 3.28Å; N229-E231 WeakPolarHBondContact CA-OE1 3.23Å; N229-E231 VanDerWaalsContact CA-OE2 3.28Å; N229-E231 WeakPolarHBondContact CA-OE2 3.47Å; N229-E231 WeakPolarHBondContact CB-OE1 3.35Å; N229-E231 PolarHBondContact O-N 3.44Å; N229-N232 PolarHBondContact O-N 2.92Å; N229-Y383 WeakPolarHBondContact CB-O 3.28Å; N229-Y383 WeakPolarHBondContact O-CB 3.47Å
230R97.7Very high97.1Very high119 Ų11941.5 Ų41.545%0.44920%0.196SC..G310 helixtrans-58.5-17.4-173.9-72.1175.5176.4-149.1-5.2114.5F227 H228 N232 R233F227-R230 HydrophobicContact CB-CG 4.07Å; F227-R230 PolarHBondContact O-NE 3.39Å; H228-R230 VanDerWaalsContact C-N 3.33Å; H228-R230 PolarHBondContact O-N 2.64Å; R230-N232 PolarHBondContact O-N 3.01Å; R230-R233 VanDerWaalsContact CD-NH2 3.34Å; R230-R233 WeakPolarHBondContact O-CB 3.48Å; R230-R233 VanDerWaalsContact O-CD 3.3Å; R230-R233 WeakPolarHBondContact O-CD 3.39Å; R230-R233 WeakPolarHBondContact O-CG 3.46Å; R230-R233 PolarHBondContact O-N 3.13Å
231E98.1Very high97.2Very high133 Ų13341.5 Ų41.562%0.62120%0.196SC*.G310 helixtrans-63.7-25.617167.4-73.3169.400113.3N229 R233N229-E231 VanDerWaalsContact C-CD 3.42Å; N229-E231 VanDerWaalsContact CA-OE1 3.28Å; N229-E231 WeakPolarHBondContact CA-OE1 3.23Å; N229-E231 VanDerWaalsContact CA-OE2 3.28Å; N229-E231 WeakPolarHBondContact CA-OE2 3.47Å; N229-E231 WeakPolarHBondContact CB-OE1 3.35Å; N229-E231 PolarHBondContact O-N 3.44Å; E231-R233 VanDerWaalsContact C-N 3.34Å
232N98.5Very high97.3Very high29 Ų2941.3 Ų41.316%0.15520%0.196CC..G310 helixtrans-92.110.5179.1-64-41.9000113.8N229 R230 H342 Y383 L384N229-N232 PolarHBondContact O-N 2.92Å; R230-N232 PolarHBondContact O-N 3.01Å; N232-H342 PolarHBondContact O-ND1 2.78Å; N232-Y383 WeakPolarHBondContact CB-O 3.36Å; N232-Y383 PolarHBondContact ND2-O 3.48Å; N232-L384 WeakPolarHBondContact CB-O 3.48Å
233R98.2Very high97.4Very high72 Ų7240.8 Ų40.827%0.27219%0.192SC..  trans-48.7140.6179-85.6170.4-177.4146.8-13.5111.8R230 E231 K235 D256 V257 H342 Y383R230-R233 VanDerWaalsContact CD-NH2 3.34Å; R230-R233 WeakPolarHBondContact O-CB 3.48Å; R230-R233 VanDerWaalsContact O-CD 3.3Å; R230-R233 WeakPolarHBondContact O-CD 3.39Å; R230-R233 WeakPolarHBondContact O-CG 3.46Å; R230-R233 PolarHBondContact O-N 3.13Å; E231-R233 VanDerWaalsContact C-N 3.34Å; R233-K235 PolarHBondContact O-N 2.83Å; R233-D256 IonicContact CZ-OD1 3.37Å; R233-D256 IonicContact CZ-OD2 3.46Å; R233-D256 IonicContact NE-OD1 2.78Å; R233-D256 IonicContact NE-OD2 2.85Å; R233-D256 PolarHBondContact NE-OD2 3.19Å; R233-D256 IonicContact NH2-OD1 3.67Å; R233-D256 PolarHBondContact NH2-OD1 2.91Å; R233-D256 IonicContact NH2-OD2 3.18Å; R233-D256 PolarHBondContact NH2-OD2 2.89Å; R233-V257 HydrophobicContact CB-CG2 4.09Å; R233-V257 HydrophobicContact CG-CG2 3.83Å; R233-H342 PolarHBondContact O-CE1 3.27Å; R233-H342 PolarHBondContact O-ND1 3.23Å; R233-Y383 HydrophobicContact CG-CD1 4.48Å; R233-Y383 HydrophobicContact CG-CD2 3.88Å; R233-Y383 HydrophobicContact CG-CE1 4.38Å; R233-Y383 HydrophobicContact CG-CE2 3.72Å; R233-Y383 HydrophobicContact CG-CG 4.26Å
234P98Very high97.4Very high9 Ų942 Ų426%0.05820%0.197CC..  trans-52.8135.2173.4-28.837.7000112C240 Y259 P312 H342 Y383P234-C240 HydrophobicContact CB-CB 3.97Å; P234-C240 HydrophobicContact CG-CB 3.71Å; P234-C240 VanDerWaalsContact CG-SG 3.55Å; P234-Y259 HydrophobicContact CB-CE1 3.8Å; P234-Y259 HydrophobicContact CG-CE1 3.78Å; P234-Y259 WeakPolarHBondContact CG-OH 3.48Å; P234-P312 HydrophobicContact CB-CB 3.74Å; P234-P312 HydrophobicContact CB-CG 3.94Å; P234-H342 WeakPolarHBondContact CA-ND1 3.04Å; P234-H342 HydrophobicContact CB-CB 4.15Å; P234-H342 HydrophobicContact CG-CB 3.84Å; P234-Y383 HydrophobicContact CG-CD1 4.49Å
235K96.4Very high97.5Very high124 Ų12442 Ų4254%0.53920%0.196SC..  trans-104.6170.1-176.2-64.4178.2-177.2171.60110.5R233 T238 P312R233-K235 PolarHBondContact O-N 2.83Å; K235-T238 HydrophobicContact CB-CG2 4.2Å; K235-T238 PolarHBondContact N-OG1 2.67Å; K235-T238 PolarHBondContact O-N 3.05Å; K235-T238 PolarHBondContact O-OG1 3.01Å; K235-P312 VanDerWaalsContact O-CB 3.3Å; K235-P312 WeakPolarHBondContact O-CB 3.45Å
236A96.5Very high97.5Very high46 Ų4641.3 Ų41.338%0.3819%0.193SC..THydrogen-bonded Turntrans-55.7148.7171.400000110.5T238 A310A236-T238 PolarHBondContact O-N 3.12Å; A236-A310 CarbonylContact C-O 3.4Å; A236-A310 WeakPolarHBondContact CA-O 3.09Å; A236-A310 WeakPolarHBondContact CB-O 3.42Å
237N96.4Very high97.4Very high52 Ų5238.2 Ų38.228%0.27818%0.184SC..THydrogen-bonded Turntrans65.213.9176.5-58.795.8000115.7A305 T307 N309 A310N237-A305 WeakPolarHBondContact CB-O 3.44Å; N237-A305 PolarHBondContact ND2-O 3.43Å; N237-T307 PolarHBondContact ND2-O 2.94Å; N237-N309 PolarHBondContact OD1-N 2.91Å; N237-A310 PolarHBondContact N-O 3.19Å
238T97.2Very high97.4Very high9 Ų937.8 Ų37.86%0.05518%0.182CC..  trans-110172.217773.40000112.3K235 A236 P312 I313 E340 H342K235-T238 HydrophobicContact CB-CG2 4.2Å; K235-T238 PolarHBondContact N-OG1 2.67Å; K235-T238 PolarHBondContact O-N 3.05Å; K235-T238 PolarHBondContact O-OG1 3.01Å; A236-T238 PolarHBondContact O-N 3.12Å; T238-P312 WeakPolarHBondContact O-CA 3.35Å; T238-I313 PolarHBondContact O-N 3.06Å; T238-E340 WeakPolarHBondContact CB-O 3.42Å; T238-E340 HydrophobicContact CG2-CB 4.05Å; T238-H342 PolarHBondContact OG1-CD2 2.89Å; T238-H342 VanDerWaalsContact OG1-CD2 3.3Å
239I97.5Very high97.3Very high0 Ų035.2 Ų35.20%017%0.17CC..EExtended strand (participates in β ladder)trans-111.2123.4171.4-62.1176.4000108.2V241 I313 I315 V337 A339 E340 I341 H342I239-V241 HydrophobicContact CG2-CG2 4.03Å; I239-I313 CarbonylContact C-O 3.6Å; I239-I313 WeakPolarHBondContact CA-O 3.41Å; I239-I313 HydrophobicContact CG1-CB 4.3Å; I239-I313 HydrophobicContact CG1-CD1 4.38Å; I239-I315 HydrophobicContact CG2-CD1 3.82Å; I239-I315 HydrophobicContact CG2-CG1 4.18Å; I239-V337 HydrophobicContact CD1-CB 3.97Å; I239-V337 HydrophobicContact CD1-CG1 4.07Å; I239-V337 HydrophobicContact CD1-CG2 4.11Å; I239-A339 HydrophobicContact CD1-CB 3.89Å; I239-A339 HydrophobicContact CG1-CB 3.93Å; I239-E340 PolarHBondContact N-O 3.05Å; I239-I341 HydrophobicContact CB-CD1 3.83Å; I239-I341 HydrophobicContact CD1-CD1 4.5Å; I239-I341 HydrophobicContact CG2-CD1 3.88Å; I239-I341 CarbonylContact O-C 3.59Å; I239-I341 WeakPolarHBondContact O-CA 3.07Å; I239-H342 PolarHBondContact O-N 2.98Å
240C98.5Very high97.2Very high0 Ų032.4 Ų32.40%015%0.154CC..EExtended strand (participates in β ladder)trans-88.8125.1169.4-178.80000109.2P234 Y259 I313 L314 I315 H342 V344P234-C240 HydrophobicContact CB-CB 3.97Å; P234-C240 HydrophobicContact CG-CB 3.71Å; P234-C240 VanDerWaalsContact CG-SG 3.55Å; C240-Y259 HydrophobicContact CB-CD1 4.07Å; C240-Y259 HydrophobicContact CB-CE1 3.59Å; C240-I313 PolarHBondContact N-O 3.35Å; C240-L314 HydrophobicContact CB-CD1 4.05Å; C240-I315 PolarHBondContact O-N 2.68Å; C240-H342 WeakPolarHBondContact CA-O 3.23Å; C240-V344 WeakPolarHBondContact SG-CG2 3.02Å
241V98.2Very high97.2Very high0 Ų027.6 Ų27.60%014%0.139CC..EExtended strand (participates in β ladder)trans-115.1125.7178166.50000109I239 I315 P317 F330 F335 I341 H342 P343 V344 V402 I406I239-V241 HydrophobicContact CG2-CG2 4.03Å; V241-I315 WeakPolarHBondContact CA-O 3.33Å; V241-P317 HydrophobicContact CG1-CG 3.53Å; V241-F330 HydrophobicContact CG1-CD2 4.06Å; V241-F330 HydrophobicContact CG1-CE2 3.44Å; V241-F330 VanDerWaalsContact CG1-CE2 3.44Å; V241-F330 HydrophobicContact CG1-CZ 4.03Å; V241-F335 HydrophobicContact CG1-CZ 4.19Å; V241-F335 HydrophobicContact CG2-CE1 4.49Å; V241-F335 HydrophobicContact CG2-CZ 4.16Å; V241-I341 HydrophobicContact CB-CG2 3.98Å; V241-I341 HydrophobicContact CG2-CD1 4.03Å; V241-I341 HydrophobicContact CG2-CG2 3.81Å; V241-H342 PolarHBondContact N-O 3.19Å; V241-P343 CarbonylContact O-C 3.54Å; V241-P343 WeakPolarHBondContact O-CA 3.42Å; V241-V344 PolarHBondContact O-N 3.32Å; V241-V402 HydrophobicContact CG1-CG1 4.14Å; V241-I406 HydrophobicContact CG1-CD1 4.03Å; V241-I406 WeakPolarHBondContact O-CD1 3.48Å
242A98.5Very high97.2Very high0 Ų021.3 Ų21.30%011%0.109CC..EExtended strand (participates in β ladder)trans-132155.3177.800000112.3L253 L314 I315 F316 P317 V344 I346A242-L253 HydrophobicContact CB-CD1 3.97Å; A242-L314 HydrophobicContact CB-CD1 4.44Å; A242-I315 PolarHBondContact N-O 3.26Å; A242-F316 HydrophobicContact CB-CD1 4.09Å; A242-F316 HydrophobicContact CB-CE1 3.85Å; A242-P317 WeakPolarHBondContact O-CD 3.32Å; A242-V344 VanDerWaalsContact CA-O 3.29Å; A242-V344 WeakPolarHBondContact CA-O 3.38Å; A242-V344 HydrophobicContact CB-CB 4.06Å; A242-I346 HydrophobicContact CB-CD1 3.97Å; A242-I346 HydrophobicContact CB-CG1 4.33Å
243N97.9Very high97.2Very high1 Ų119.9 Ų19.91%0.00510%0.102CC..  trans-67.2160.4164.764.5-71.2000111F316 E318 N324 V327 I346 I406 M412N243-F316 WeakPolarHBondContact O-CD1 3.21Å; N243-E318 WeakPolarHBondContact CA-OE1 3.31Å; N243-E318 VanDerWaalsContact CB-OE1 3.27Å; N243-E318 WeakPolarHBondContact CB-OE1 3.17Å; N243-N324 PolarHBondContact ND2-ND2 3.5Å; N243-V327 HydrophobicContact CB-CG1 4.11Å; N243-V327 HydrophobicContact CB-CG2 3.97Å; N243-I346 PolarHBondContact ND2-O 2.67Å; N243-I346 PolarHBondContact OD1-N 2.79Å; N243-I406 HydrophobicContact CB-CG2 3.96Å; N243-M412 HydrophobicContact CB-CE 4.37Å
244H97Very high97.2Very high29 Ų2916.6 Ų16.613%0.1349%0.09CC..  trans-132122.6-168.5-160.528.2000113.6T246 D249 F316 E318 C321 I322H244-T246 PolarHBondContact CE1-O 3.5Å; H244-T246 PolarHBondContact ND1-O 2.83Å; H244-D249 WeakPolarHBondContact CA-OD2 3.3Å; H244-D249 IonicContact CE1-OD2 3.43Å; H244-D249 IonicContact CG-OD2 2.67Å; H244-D249 IonicContact ND1-OD2 2.65Å; H244-D249 PolarHBondContact ND1-OD2 3.08Å; H244-F316 HydrophobicContact CB-CB 3.82Å; H244-F316 HydrophobicContact CB-CD1 3.8Å; H244-F316 HydrophobicContact CB-CG 4.02Å; H244-F316 AromaticContact CE1-CD2 3.96Å; H244-F316 AromaticContact CG-CD1 3.8Å; H244-F316 AromaticContact CG-CG 3.68Å; H244-F316 AromaticContact ND1-CD1 3.65Å; H244-F316 AromaticContact ND1-CE1 3.97Å; H244-F316 AromaticContact ND1-CG 3.67Å; H244-E318 PolarHBondContact N-OE1 2.97Å; H244-C321 WeakPolarHBondContact O-CA 3.41Å; H244-I322 PolarHBondContact O-N 2.92Å
245T96.6Very high97.1Very high2 Ų216.3 Ų16.31%0.0129%0.088CC..SBendtrans-125-31.9-177.7-65.10000113D249 C321 I322 N324 Y348 C355 W357T245-D249 PolarHBondContact N-OD2 3.32Å; T245-C321 WeakPolarHBondContact O-CB 3.31Å; T245-I322 VanDerWaalsContact CA-O 3.24Å; T245-I322 WeakPolarHBondContact CA-O 3.47Å; T245-I322 WeakPolarHBondContact CB-O 3.43Å; T245-I322 WeakPolarHBondContact CG2-O 3.46Å; T245-I322 PolarHBondContact OG1-O 3.39Å; T245-N324 HydrophobicContact CG2-CB 3.83Å; T245-N324 VanDerWaalsContact OG1-CB 3.31Å; T245-N324 WeakPolarHBondContact OG1-CB 3.46Å; T245-N324 PolarHBondContact OG1-ND2 3.07Å; T245-Y348 HydrophobicContact CG2-CD2 3.82Å; T245-Y348 HydrophobicContact CG2-CE2 4.02Å; T245-C355 HydrophobicContact CG2-CB 4.32Å; T245-W357 PolarHBondContact O-N 3.31Å
246T96.7Very high97.2Very high0 Ų011.1 Ų11.10%07%0.066CC..  trans-150.6152.8-174.2172.30000111.9H244 F248 D249 Y348 C355 Y367H244-T246 PolarHBondContact CE1-O 3.5Å; H244-T246 PolarHBondContact ND1-O 2.83Å; T246-F248 HydrophobicContact CG2-CB 4.21Å; T246-F248 PolarHBondContact O-N 3.05Å; T246-F248 VanDerWaalsContact O-N 3.08Å; T246-F248 PolarHBondContact OG1-N 3.19Å; T246-D249 WeakPolarHBondContact CG2-OD1 3.5Å; T246-D249 PolarHBondContact N-OD2 3.22Å; T246-D249 WeakPolarHBondContact O-CB 3.3Å; T246-D249 PolarHBondContact O-N 3.1Å; T246-Y348 HydrophobicContact CG2-CE1 4.45Å; T246-Y348 HydrophobicContact CG2-CE2 4.04Å; T246-Y348 WeakPolarHBondContact CG2-OH 3.47Å; T246-C355 WeakPolarHBondContact CB-O 3.34Å; T246-Y367 VanDerWaalsContact CB-OH 3.24Å; T246-Y367 WeakPolarHBondContact CB-OH 3.43Å; T246-Y367 WeakPolarHBondContact OG1-CE1 3.42Å; T246-Y367 PolarHBondContact OG1-OH 2.88Å
247P94Very high97.2Very high22 Ų229.7 Ų9.714%0.1435%0.053CC..THydrogen-bonded Turntrans-59-21171.725-34.3000112.3D249 F270 W357 L364 Y367P247-D249 VanDerWaalsContact C-N 3.29Å; P247-D249 PolarHBondContact O-N 3.27Å; P247-F270 HydrophobicContact CB-CE2 3.96Å; P247-F270 HydrophobicContact CB-CZ 4.07Å; P247-W357 HydrophobicContact CB-CE3 4.23Å; P247-W357 HydrophobicContact CB-CZ3 4.29Å; P247-W357 VanDerWaalsContact CD-CB 3.49Å; P247-W357 VanDerWaalsContact CD-CE3 3.4Å; P247-W357 HydrophobicContact CG-CD2 3.89Å; P247-W357 HydrophobicContact CG-CE3 3.79Å; P247-W357 HydrophobicContact CG-CG 4.24Å; P247-W357 HydrophobicContact CG-CZ3 4.23Å; P247-L364 HydrophobicContact CB-CD1 3.92Å; P247-L364 HydrophobicContact CG-CD1 3.45Å; P247-L364 VanDerWaalsContact CG-CD1 3.45Å; P247-Y367 HydrophobicContact CG-CD1 4.2Å; P247-Y367 HydrophobicContact CG-CE1 4.15Å
248F96.1Very high97.2Very high18 Ų187.8 Ų7.88%0.0794%0.043CC..THydrogen-bonded Turntrans-79.9-2.9176-56.7-47.1000114.5F221 T246 W250 C251 V252 L364 Y367 S368 I371F221-F248 HydrophobicContact CE1-CE2 4.11Å; F221-F248 HydrophobicContact CE1-CZ 4.16Å; F221-F248 HydrophobicContact CE2-CD1 4.13Å; F221-F248 HydrophobicContact CE2-CD2 4.16Å; F221-F248 AromaticContact CE2-CE1 3.92Å; F221-F248 HydrophobicContact CE2-CE1 3.92Å; F221-F248 AromaticContact CE2-CE2 3.94Å; F221-F248 HydrophobicContact CE2-CE2 3.94Å; F221-F248 HydrophobicContact CE2-CG 4.26Å; F221-F248 AromaticContact CE2-CZ 3.82Å; F221-F248 HydrophobicContact CE2-CZ 3.82Å; F221-F248 HydrophobicContact CZ-CD2 4.34Å; F221-F248 AromaticContact CZ-CE1 3.86Å; F221-F248 HydrophobicContact CZ-CE1 3.86Å; F221-F248 AromaticContact CZ-CE2 3.66Å; F221-F248 HydrophobicContact CZ-CE2 3.66Å; F221-F248 AromaticContact CZ-CZ 3.39Å; F221-F248 HydrophobicContact CZ-CZ 3.39Å; T246-F248 HydrophobicContact CG2-CB 4.21Å; T246-F248 PolarHBondContact O-N 3.05Å; T246-F248 VanDerWaalsContact O-N 3.08Å; T246-F248 PolarHBondContact OG1-N 3.19Å; F248-W250 PolarHBondContact O-N 2.97Å; F248-C251 WeakPolarHBondContact O-CA 3.46Å; F248-C251 WeakPolarHBondContact O-CB 3.48Å; F248-C251 PolarHBondContact O-N 2.9Å; F248-V252 PolarHBondContact O-N 2.9Å; F248-L364 HydrophobicContact CE1-CD1 4.3Å; F248-L364 HydrophobicContact CZ-CD1 4.26Å; F248-Y367 HydrophobicContact CD2-CD1 4.36Å; F248-Y367 AromaticContact CD2-CE1 3.6Å; F248-Y367 HydrophobicContact CD2-CE1 3.6Å; F248-Y367 AromaticContact CE2-CD1 3.74Å; F248-Y367 HydrophobicContact CE2-CD1 3.74Å; F248-Y367 AromaticContact CE2-CE1 3.41Å; F248-Y367 HydrophobicContact CE2-CE1 3.41Å; F248-Y367 VanDerWaalsContact CE2-CE1 3.41Å; F248-Y367 HydrophobicContact CZ-CD1 4.36Å; F248-Y367 HydrophobicContact CZ-CE1 4.39Å; F248-S368 WeakPolarHBondContact CZ-OG 3.45Å; F248-I371 HydrophobicContact CE2-CG1 4.43Å
249D97.9Very high97.2Very high0 Ų07.3 Ų7.30%04%0.04CC..Hα-helixtrans-57.7-37.2174.5-69.6-30.4000111H244 T245 T246 P247 C251 V252 L253 F316 I346 Y348H244-D249 WeakPolarHBondContact CA-OD2 3.3Å; H244-D249 IonicContact CE1-OD2 3.43Å; H244-D249 IonicContact CG-OD2 2.67Å; H244-D249 IonicContact ND1-OD2 2.65Å; H244-D249 PolarHBondContact ND1-OD2 3.08Å; T245-D249 PolarHBondContact N-OD2 3.32Å; T246-D249 WeakPolarHBondContact CG2-OD1 3.5Å; T246-D249 PolarHBondContact N-OD2 3.22Å; T246-D249 WeakPolarHBondContact O-CB 3.3Å; T246-D249 PolarHBondContact O-N 3.1Å; P247-D249 VanDerWaalsContact C-N 3.29Å; P247-D249 PolarHBondContact O-N 3.27Å; D249-C251 VanDerWaalsContact C-N 3.35Å; D249-C251 PolarHBondContact O-N 2.92Å; D249-V252 PolarHBondContact O-N 3.49Å; D249-L253 PolarHBondContact O-N 2.93Å; D249-F316 HydrophobicContact CB-CE1 3.6Å; D249-F316 HydrophobicContact CB-CE2 4.38Å; D249-F316 HydrophobicContact CB-CZ 3.46Å; D249-F316 VanDerWaalsContact CB-CZ 3.46Å; D249-I346 HydrophobicContact CB-CD1 4.02Å; D249-Y348 WeakPolarHBondContact OD1-CE2 3.31Å; D249-Y348 VanDerWaalsContact OD1-CZ 3.26Å; D249-Y348 PolarHBondContact OD1-OH 3.33Å
250W96.3Very high97.2Very high15 Ų157.3 Ų7.36%0.0574%0.04CC..Hα-helixtrans-59.2-46.6172.6178.290000110.9V214 F248 V252 L253 A254 I277 V281 L314 F316V214-W250 HydrophobicContact CG2-CH2 3.99Å; V214-W250 HydrophobicContact CG2-CZ3 4Å; F248-W250 PolarHBondContact O-N 2.97Å; W250-V252 PolarHBondContact O-N 3.4Å; W250-L253 PolarHBondContact O-N 2.87Å; W250-A254 HydrophobicContact CD2-CB 4.08Å; W250-A254 HydrophobicContact CE3-CB 4.25Å; W250-A254 HydrophobicContact CH2-CB 4.08Å; W250-A254 HydrophobicContact CZ2-CB 3.89Å; W250-A254 HydrophobicContact CZ3-CB 4.26Å; W250-A254 WeakPolarHBondContact O-CA 3.19Å; W250-A254 WeakPolarHBondContact O-CB 3.34Å; W250-A254 PolarHBondContact O-N 2.95Å; W250-I277 HydrophobicContact CE3-CD1 4.23Å; W250-I277 HydrophobicContact CH2-CG1 4.28Å; W250-I277 HydrophobicContact CH2-CG2 4.12Å; W250-I277 HydrophobicContact CZ2-CG2 3.92Å; W250-I277 HydrophobicContact CZ3-CD1 4.3Å; W250-I277 HydrophobicContact CZ3-CG1 4.11Å; W250-V281 HydrophobicContact CZ2-CG1 4.3Å; W250-V281 HydrophobicContact CZ2-CG2 3.81Å; W250-L314 HydrophobicContact CB-CD2 4.47Å; W250-L314 HydrophobicContact CG-CD2 4.43Å; W250-F316 HydrophobicContact CB-CE2 4.43Å
251C96.9Very high97Very high19 Ų198 Ų813%0.1284%0.044CC..Hα-helixtrans-62-44177.3-63.60000111.4V214 L218 F248 D249 L253 A254 S255V214-C251 HydrophobicContact CG1-CB 3.9Å; V214-C251 WeakPolarHBondContact CG1-O 3.47Å; L218-C251 HydrophobicContact CD1-CB 4.35Å; L218-C251 WeakPolarHBondContact CD1-O 3.2Å; L218-C251 HydrophobicContact CD2-CB 3.97Å; L218-C251 HydrophobicContact CG-CB 4.09Å; F248-C251 WeakPolarHBondContact O-CA 3.46Å; F248-C251 WeakPolarHBondContact O-CB 3.48Å; F248-C251 PolarHBondContact O-N 2.9Å; D249-C251 VanDerWaalsContact C-N 3.35Å; D249-C251 PolarHBondContact O-N 2.92Å; C251-L253 VanDerWaalsContact C-N 3.35Å; C251-L253 PolarHBondContact O-N 3.2Å; C251-A254 PolarHBondContact O-N 3.47Å; C251-S255 WeakPolarHBondContact O-CB 3.18Å; C251-S255 PolarHBondContact O-N 3.43Å
252V98.4Very high96.6Very high0 Ų09.2 Ų9.20%05%0.052CC..Hα-helixtrans-55.7-50.4178.6169.20000110.3L218 I225 F227 F248 D249 W250 S255 V379 V381L218-V252 HydrophobicContact CD2-CG2 3.95Å; I225-V252 HydrophobicContact CD1-CB 4.43Å; I225-V252 HydrophobicContact CD1-CG1 4.19Å; I225-V252 HydrophobicContact CD1-CG2 4.33Å; I225-V252 HydrophobicContact CG2-CG1 4.13Å; F227-V252 WeakPolarHBondContact CZ-O 3.21Å; F248-V252 PolarHBondContact O-N 2.9Å; D249-V252 PolarHBondContact O-N 3.49Å; W250-V252 PolarHBondContact O-N 3.4Å; V252-S255 WeakPolarHBondContact O-CB 3.24Å; V252-S255 PolarHBondContact O-N 3.36Å; V252-S255 PolarHBondContact O-OG 3.48Å; V252-V379 HydrophobicContact CG1-CG1 3.9Å; V252-V379 HydrophobicContact CG1-CG2 4.2Å; V252-V379 HydrophobicContact CG2-CG1 4.24Å; V252-V381 HydrophobicContact CG1-CG2 3.7Å
253L98.6Very high96.1Very high0 Ų010.2 Ų10.20%06%0.062CC..Hα-helixtrans-71.3-42.4178.3-62-174.9000112.6A242 D249 W250 C251 S255 D256 V257 Y259 L314 V344 I346 V381A242-L253 HydrophobicContact CB-CD1 3.97Å; D249-L253 PolarHBondContact O-N 2.93Å; W250-L253 PolarHBondContact O-N 2.87Å; C251-L253 VanDerWaalsContact C-N 3.35Å; C251-L253 PolarHBondContact O-N 3.2Å; L253-S255 PolarHBondContact O-N 3.35Å; L253-S255 VanDerWaalsContact O-N 3.09Å; L253-D256 PolarHBondContact O-N 2.76Å; L253-V257 PolarHBondContact O-N 2.95Å; L253-Y259 HydrophobicContact CB-CD2 4.33Å; L253-Y259 HydrophobicContact CB-CE2 3.67Å; L253-Y259 WeakPolarHBondContact O-CE2 3.32Å; L253-L314 HydrophobicContact CB-CD2 4.15Å; L253-L314 HydrophobicContact CD1-CD1 3.54Å; L253-L314 HydrophobicContact CD1-CD2 3.77Å; L253-L314 HydrophobicContact CD1-CG 4.34Å; L253-V344 HydrophobicContact CD1-CG1 4.43Å; L253-V344 HydrophobicContact CD2-CG1 3.79Å; L253-I346 HydrophobicContact CD1-CD1 3.97Å; L253-I346 HydrophobicContact CD2-CD1 4.11Å; L253-I346 HydrophobicContact CD2-CG1 4.26Å; L253-I346 HydrophobicContact CG-CD1 4.01Å; L253-V381 HydrophobicContact CD2-CG1 3.5Å; L253-V381 VanDerWaalsContact CD2-CG1 3.5Å; L253-V381 HydrophobicContact CD2-CG2 4.17Å
254A97.4Very high95.6Very high2 Ų212.6 Ų12.62%0.0177%0.073CC..Hα-helixtrans-65.4-11.4179.700000113.5Q211 V214 W250 C251 D256 V257 Y259Q211-A254 WeakPolarHBondContact CG-O 3.23Å; V214-A254 HydrophobicContact CG1-CB 4.07Å; V214-A254 HydrophobicContact CG2-CB 4.33Å; W250-A254 HydrophobicContact CD2-CB 4.08Å; W250-A254 HydrophobicContact CE3-CB 4.25Å; W250-A254 HydrophobicContact CH2-CB 4.08Å; W250-A254 HydrophobicContact CZ2-CB 3.89Å; W250-A254 HydrophobicContact CZ3-CB 4.26Å; W250-A254 WeakPolarHBondContact O-CA 3.19Å; W250-A254 WeakPolarHBondContact O-CB 3.34Å; W250-A254 PolarHBondContact O-N 2.95Å; C251-A254 PolarHBondContact O-N 3.47Å; A254-D256 PolarHBondContact O-N 3.01Å; A254-V257 VanDerWaalsContact CA-O 3.23Å; A254-V257 WeakPolarHBondContact CA-O 3.17Å; A254-Y259 HydrophobicContact CB-CD2 4.47Å
255S96.7Very high95.2Very high3 Ų315.7 Ų15.72%0.0219%0.086CC..THydrogen-bonded Turntrans-75.8-5.5171.682.10000113.8R215 I225 F227 C251 V252 L253R215-S255 PolarHBondContact NE-O 3.37Å; R215-S255 PolarHBondContact NH2-O 3.03Å; I225-S255 WeakPolarHBondContact CD1-OG 3.4Å; F227-S255 WeakPolarHBondContact CZ-OG 3.08Å; C251-S255 WeakPolarHBondContact O-CB 3.18Å; C251-S255 PolarHBondContact O-N 3.43Å; V252-S255 WeakPolarHBondContact O-CB 3.24Å; V252-S255 PolarHBondContact O-N 3.36Å; V252-S255 PolarHBondContact O-OG 3.48Å; L253-S255 PolarHBondContact O-N 3.35Å; L253-S255 VanDerWaalsContact O-N 3.09Å
256D97.3Very high94.7Very high15 Ų1519 Ų198%0.0810%0.101CC..THydrogen-bonded Turntrans-131.4-32.9178.7-167.152.1000113.6Q211 F227 R233 L253 A254 Y383Q211-D256 PolarHBondContact NE2-O 2.99Å; Q211-D256 PolarHBondContact OE1-O 3.14Å; F227-D256 HydrophobicContact CD1-CB 4.1Å; F227-D256 HydrophobicContact CD2-CB 4.21Å; F227-D256 HydrophobicContact CE1-CB 3.61Å; F227-D256 HydrophobicContact CE2-CB 3.73Å; F227-D256 HydrophobicContact CG-CB 4.37Å; F227-D256 HydrophobicContact CZ-CB 3.4Å; F227-D256 VanDerWaalsContact CZ-CB 3.4Å; R233-D256 IonicContact CZ-OD1 3.37Å; R233-D256 IonicContact CZ-OD2 3.46Å; R233-D256 IonicContact NE-OD1 2.78Å; R233-D256 IonicContact NE-OD2 2.85Å; R233-D256 PolarHBondContact NE-OD2 3.19Å; R233-D256 IonicContact NH2-OD1 3.67Å; R233-D256 PolarHBondContact NH2-OD1 2.91Å; R233-D256 IonicContact NH2-OD2 3.18Å; R233-D256 PolarHBondContact NH2-OD2 2.89Å; L253-D256 PolarHBondContact O-N 2.76Å; A254-D256 PolarHBondContact O-N 3.01Å; D256-Y383 PolarHBondContact OD2-OH 2.7Å
257V97.5Very high94.2Very high16 Ų1621.9 Ų21.910%0.09713%0.131CC..SBendtrans-132.4139.7176.5173.10000108.7R233 L253 A254 Y259 P312R233-V257 HydrophobicContact CB-CG2 4.09Å; R233-V257 HydrophobicContact CG-CG2 3.83Å; L253-V257 PolarHBondContact O-N 2.95Å; A254-V257 VanDerWaalsContact CA-O 3.23Å; A254-V257 WeakPolarHBondContact CA-O 3.17Å; V257-Y259 HydrophobicContact CB-CD2 4.46Å; V257-Y259 HydrophobicContact CB-CE1 4.36Å; V257-Y259 HydrophobicContact CB-CE2 3.63Å; V257-Y259 WeakPolarHBondContact CB-OH 3.36Å; V257-Y259 HydrophobicContact CG1-CD1 4.44Å; V257-Y259 HydrophobicContact CG1-CD2 4.49Å; V257-Y259 HydrophobicContact CG1-CE1 3.92Å; V257-Y259 HydrophobicContact CG1-CE2 3.95Å; V257-Y259 WeakPolarHBondContact O-CD2 3.41Å; V257-Y259 WeakPolarHBondContact O-CE2 3.42Å; V257-P312 HydrophobicContact CG1-CG 3.93Å
258T96.8Very high93.9Very high12 Ų1224 Ų247%0.07416%0.157CC..  trans-81.7128.1175-55.30000109.9Q211 V281 E311Q211-T258 PolarHBondContact NE2-OG1 3.45Å; T258-V281 HydrophobicContact CG2-CG1 3.82Å; T258-E311 HydrophobicContact CG2-CG 4.31Å
259Y97.6Very high93.4Very high0 Ų026.5 Ų26.50%017%0.168CC..  trans-117.7147.2-178.2-62.1-84.7000112P234 C240 L253 A254 V257 V281 P312 L314P234-Y259 HydrophobicContact CB-CE1 3.8Å; P234-Y259 HydrophobicContact CG-CE1 3.78Å; P234-Y259 WeakPolarHBondContact CG-OH 3.48Å; C240-Y259 HydrophobicContact CB-CD1 4.07Å; C240-Y259 HydrophobicContact CB-CE1 3.59Å; L253-Y259 HydrophobicContact CB-CD2 4.33Å; L253-Y259 HydrophobicContact CB-CE2 3.67Å; L253-Y259 WeakPolarHBondContact O-CE2 3.32Å; A254-Y259 HydrophobicContact CB-CD2 4.47Å; V257-Y259 HydrophobicContact CB-CD2 4.46Å; V257-Y259 HydrophobicContact CB-CE1 4.36Å; V257-Y259 HydrophobicContact CB-CE2 3.63Å; V257-Y259 WeakPolarHBondContact CB-OH 3.36Å; V257-Y259 HydrophobicContact CG1-CD1 4.44Å; V257-Y259 HydrophobicContact CG1-CD2 4.49Å; V257-Y259 HydrophobicContact CG1-CE1 3.92Å; V257-Y259 HydrophobicContact CG1-CE2 3.95Å; V257-Y259 WeakPolarHBondContact O-CD2 3.41Å; V257-Y259 WeakPolarHBondContact O-CE2 3.42Å; Y259-V281 WeakPolarHBondContact O-CB 3.22Å; Y259-P312 CarbonylContact C-O 3.54Å; Y259-P312 VanDerWaalsContact CA-O 3.31Å; Y259-P312 WeakPolarHBondContact CA-O 3.47Å; Y259-P312 HydrophobicContact CD1-CB 3.96Å; Y259-P312 HydrophobicContact CD1-CG 3.73Å; Y259-P312 HydrophobicContact CE1-CB 4.2Å; Y259-P312 HydrophobicContact CE1-CG 3.95Å; Y259-L314 HydrophobicContact CD1-CB 3.78Å; Y259-L314 HydrophobicContact CD2-CD2 4.24Å; Y259-L314 HydrophobicContact CG-CB 3.78Å; Y259-L314 HydrophobicContact CG-CD2 4.25Å
260A96.7Very high92.8Very high0 Ų028.5 Ų28.50%018%0.177CC..EExtended strand (participates in β ladder)trans-71.5132.4155.700000109P282 H304 P312 L314A260-P282 CarbonylContact C-O 3.11Å; A260-P282 VanDerWaalsContact CA-O 3.27Å; A260-P282 WeakPolarHBondContact CA-O 3.06Å; A260-P282 HydrophobicContact CB-CB 4.04Å; A260-H304 WeakPolarHBondContact CB-NE2 3.22Å; A260-P312 PolarHBondContact N-O 3.13Å; A260-L314 PolarHBondContact O-N 3.38Å
261V93.5Very high92.6Very high13 Ų1328.2 Ų28.28%0.07918%0.178CC..EExtended strand (participates in β ladder)trans-91.1140.5-178.668.30000111.1I277 V281 P282 A283 I284 W285V261-I277 HydrophobicContact CB-CG2 4.21Å; V261-I277 HydrophobicContact CG1-CG2 3.68Å; V261-V281 HydrophobicContact CG1-CG2 4.32Å; V261-P282 PolarHBondContact N-O 3.19Å; V261-A283 HydrophobicContact CG1-CB 3.4Å; V261-A283 VanDerWaalsContact CG1-CB 3.4Å; V261-A283 CarbonylContact O-C 3.57Å; V261-A283 WeakPolarHBondContact O-CA 3.27Å; V261-I284 PolarHBondContact O-N 2.71Å; V261-W285 HydrophobicContact CG1-CH2 4.05Å; V261-W285 HydrophobicContact CG1-CZ2 3.79Å; V261-W285 HydrophobicContact CG2-CH2 4.17Å
262V90.6Very high92.2Very high27 Ų2732.5 Ų32.516%0.16420%0.195CC..EExtended strand (participates in β ladder)trans-122.6130.3171.2-175.40000108.7I284 F286 L301 I313 I315V262-I284 WeakPolarHBondContact CA-O 3.31Å; V262-I284 HydrophobicContact CG2-CB 4.26Å; V262-I284 HydrophobicContact CG2-CD1 4.41Å; V262-F286 HydrophobicContact CG1-CD2 4.1Å; V262-F286 HydrophobicContact CG1-CE2 3.44Å; V262-F286 VanDerWaalsContact CG1-CE2 3.44Å; V262-F286 HydrophobicContact CG1-CZ 4.43Å; V262-L301 HydrophobicContact CG1-CD2 4.48Å; V262-L301 HydrophobicContact CG2-CD2 3.89Å; V262-I313 HydrophobicContact CB-CG2 4.48Å; V262-I313 HydrophobicContact CG2-CG2 3.14Å; V262-I315 HydrophobicContact CB-CG1 4.21Å; V262-I315 HydrophobicContact CG2-CD1 4.47Å; V262-I315 HydrophobicContact CG2-CG1 4.02Å
263G88.7Confident91.9Very high20 Ų2033.7 Ų33.721%0.20621%0.205CC..EExtended strand (participates in β ladder)trans-166.4167.1-178.800000113.7I284 W285 F286G263-I284 PolarHBondContact N-O 3.03Å; G263-W285 CarbonylContact O-C 3.56Å; G263-W285 VanDerWaalsContact O-CA 3.31Å; G263-W285 WeakPolarHBondContact O-CA 3.3Å; G263-F286 PolarHBondContact O-N 2.97Å
264Q87Confident91.6Very high52 Ų5234.3 Ų34.324%0.24321%0.208CC..EExtended strand (participates in β ladder)trans-80.3142.3168.9-170.3-165.9-66.500109.1H266 E274 F286 R288 I291Q264-H266 PolarHBondContact O-CE1 3Å; Q264-H266 PolarHBondContact O-ND1 2.94Å; Q264-E274 VanDerWaalsContact O-OE1 3.1Å; Q264-F286 CarbonylContact C-O 3.47Å; Q264-F286 VanDerWaalsContact CA-O 3.3Å; Q264-F286 WeakPolarHBondContact CA-O 3.34Å; Q264-R288 HydrophobicContact CG-CG 4.02Å; Q264-I291 HydrophobicContact CB-CD1 4.16Å; Q264-I291 HydrophobicContact CG-CD1 3.85Å
265K87.4Confident91.3Very high93 Ų9343.2 Ų43.240%0.40424%0.241SC..  trans-67143.6173.7-66.5-174-163.31450111.6W285 F286 D287K265-W285 HydrophobicContact CD-CB 4.23Å; K265-W285 HydrophobicContact CG-CB 3.54Å; K265-W285 HydrophobicContact CG-CG 4.27Å; K265-F286 PolarHBondContact N-O 3.15Å; K265-D287 WeakPolarHBondContact CD-OD1 3.31Å; K265-D287 IonicContact NZ-OD1 2.64Å; K265-D287 IonicContact NZ-OD2 2.66Å; K265-D287 PolarHBondContact NZ-OD2 3.28Å
266H87.3Confident91.2Very high71 Ų7143.7 Ų43.733%0.32924%0.243SC..  trans-129.9158.7174.7-60.688.7000112.7Q264 F270 G271 E274Q264-H266 PolarHBondContact O-CE1 3Å; Q264-H266 PolarHBondContact O-ND1 2.94Å; H266-F270 HydrophobicContact CB-CB 3.84Å; H266-F270 HydrophobicContact CB-CD1 3.94Å; H266-F270 HydrophobicContact CB-CG 4.02Å; H266-F270 AromaticContact CG-CD1 3.95Å; H266-F270 AromaticContact ND1-CD1 3.69Å; H266-F270 AromaticContact ND1-CE1 3.82Å; H266-G271 WeakPolarHBondContact O-CA 3.19Å; H266-E274 WeakPolarHBondContact CB-OE1 3.48Å; H266-E274 IonicContact CE1-OE1 3.48Å; H266-E274 IonicContact CG-OE1 3.15Å; H266-E274 PolarHBondContact N-OE1 3.01Å; H266-E274 VanDerWaalsContact N-OE1 3.15Å; H266-E274 PolarHBondContact N-OE2 3.11Å; H266-E274 IonicContact ND1-OE1 2.83Å; H266-E274 PolarHBondContact ND1-OE1 2.89Å
267G86.3Confident91Very high61 Ų6144.5 Ų44.563%0.62925%0.247SC*.  trans-88.8-177.8168.700000113.1G271G267-G271 PolarHBondContact O-N 2.94Å; G267-G271 VanDerWaalsContact O-N 3.1Å
268G87.7Confident90.8Very high68 Ų6845.5 Ų45.570%0.70126%0.255SS*.Hα-helixtrans62.5-147.1171.200000114.4F270 G271 F272G268-F270 PolarHBondContact O-N 2.98Å; G268-G271 PolarHBondContact O-N 2.8Å; G268-F272 PolarHBondContact O-N 2.84Å
269F84.5Confident90.5Very high69 Ų6945.7 Ų45.730%0.30326%0.257SS..Hα-helixtrans-61.8-32.4-179.4-170.7-98.1000112.7F179 F272 A273 L364 F365F179-F269 HydrophobicContact CE1-CZ 4.09Å; F179-F269 HydrophobicContact CZ-CE1 4.4Å; F179-F269 HydrophobicContact CZ-CZ 4.09Å; F269-F272 HydrophobicContact CE2-CD1 4.46Å; F269-F272 WeakPolarHBondContact O-CB 3.29Å; F269-F272 PolarHBondContact O-N 2.78Å; F269-A273 PolarHBondContact O-N 2.92Å; F269-L364 HydrophobicContact CD1-CB 4.27Å; F269-L364 HydrophobicContact CD1-CD2 3.96Å; F269-L364 HydrophobicContact CD1-CG 4.11Å; F269-L364 HydrophobicContact CE1-CD2 4.26Å; F269-L364 HydrophobicContact CE1-CG 4.38Å; F269-F365 HydrophobicContact CD1-CB 4.08Å; F269-F365 HydrophobicContact CE1-CB 4.5Å; F269-F365 HydrophobicContact CE1-CD2 4.38Å; F269-F365 HydrophobicContact CE2-CD2 4.27Å; F269-F365 HydrophobicContact CG-CB 4.21Å; F269-F365 HydrophobicContact CZ-CD2 4.19Å
270F86.9Confident90.2Very high43 Ų4346.3 Ų46.319%0.18926%0.261CS..Hα-helixtrans-64.7-48.5174.9-152.8-59.2000110.4P247 H266 G268 F272 A273 E274 W357 L364P247-F270 HydrophobicContact CB-CE2 3.96Å; P247-F270 HydrophobicContact CB-CZ 4.07Å; H266-F270 HydrophobicContact CB-CB 3.84Å; H266-F270 HydrophobicContact CB-CD1 3.94Å; H266-F270 HydrophobicContact CB-CG 4.02Å; H266-F270 AromaticContact CG-CD1 3.95Å; H266-F270 AromaticContact ND1-CD1 3.69Å; H266-F270 AromaticContact ND1-CE1 3.82Å; G268-F270 PolarHBondContact O-N 2.98Å; F270-F272 PolarHBondContact O-N 3.44Å; F270-A273 WeakPolarHBondContact O-CA 3.48Å; F270-A273 WeakPolarHBondContact O-CB 3.34Å; F270-A273 PolarHBondContact O-N 3Å; F270-E274 HydrophobicContact CD1-CG 3.84Å; F270-E274 VanDerWaalsContact CD1-OE1 3.31Å; F270-E274 WeakPolarHBondContact CD1-OE1 3.44Å; F270-E274 HydrophobicContact CE1-CG 4.07Å; F270-E274 WeakPolarHBondContact O-CG 3.28Å; F270-E274 PolarHBondContact O-N 2.97Å; F270-W357 AromaticContact CD2-CH2 3.71Å; F270-W357 HydrophobicContact CD2-CH2 3.71Å; F270-W357 HydrophobicContact CD2-CZ2 4.33Å; F270-W357 HydrophobicContact CD2-CZ3 4.48Å; F270-W357 AromaticContact CE2-CH2 3.37Å; F270-W357 HydrophobicContact CE2-CH2 3.37Å; F270-W357 HydrophobicContact CE2-CZ2 4.25Å; F270-W357 AromaticContact CE2-CZ3 3.69Å; F270-W357 HydrophobicContact CE2-CZ3 3.69Å; F270-W357 HydrophobicContact CZ-CH2 4.5Å; F270-L364 HydrophobicContact CB-CB 4.5Å; F270-L364 HydrophobicContact CB-CD2 4.22Å; F270-L364 HydrophobicContact CD2-CB 3.82Å; F270-L364 HydrophobicContact CD2-CD1 4.42Å; F270-L364 HydrophobicContact CD2-CD2 3.76Å; F270-L364 HydrophobicContact CD2-CG 4.22Å; F270-L364 HydrophobicContact CE2-CB 4.48Å; F270-L364 HydrophobicContact CE2-CD1 4.3Å; F270-L364 HydrophobicContact CE2-CD2 4.17Å; F270-L364 HydrophobicContact CG-CD2 3.96Å
271G90.2Very high90.1Very high8 Ų846.7 Ų46.78%0.08226%0.264CS..Hα-helixtrans-60.3-31.9175.100000113.8H266 G267 G268 E274 R275H266-G271 WeakPolarHBondContact O-CA 3.19Å; G267-G271 PolarHBondContact O-N 2.94Å; G267-G271 VanDerWaalsContact O-N 3.1Å; G268-G271 PolarHBondContact O-N 2.8Å; G271-E274 PolarHBondContact O-N 3.48Å; G271-R275 VanDerWaalsContact O-CG 3.32Å; G271-R275 WeakPolarHBondContact O-CG 3.44Å; G271-R275 PolarHBondContact O-N 3.19Å; G271-R275 VanDerWaalsContact O-N 3.07Å
272F89.9Confident90.1Very high109 Ų10948.4 Ų48.448%0.47828%0.275SS..Hα-helixtrans-64.9-45.9171176.3-107.7000112V183 G268 F269 F270 E274 R275 I276V183-F272 HydrophobicContact CG1-CE1 4.46Å; G268-F272 PolarHBondContact O-N 2.84Å; F269-F272 HydrophobicContact CE2-CD1 4.46Å; F269-F272 WeakPolarHBondContact O-CB 3.29Å; F269-F272 PolarHBondContact O-N 2.78Å; F270-F272 PolarHBondContact O-N 3.44Å; F272-E274 VanDerWaalsContact C-N 3.35Å; F272-E274 PolarHBondContact O-N 3.18Å; F272-R275 WeakPolarHBondContact O-CB 3.32Å; F272-R275 PolarHBondContact O-N 2.85Å; F272-I276 HydrophobicContact CD1-CD1 4.07Å; F272-I276 HydrophobicContact CE1-CD1 3.47Å; F272-I276 VanDerWaalsContact CE1-CD1 3.47Å; F272-I276 HydrophobicContact CE1-CG1 4.48Å; F272-I276 HydrophobicContact CE2-CD1 4.25Å; F272-I276 HydrophobicContact CZ-CD1 3.59Å; F272-I276 HydrophobicContact CZ-CG1 4.36Å; F272-I276 PolarHBondContact O-N 3.38Å; F272-I276 VanDerWaalsContact O-N 3.12Å
273A90.7Very high90.3Very high25 Ų2548.7 Ų48.721%0.20728%0.28CS..Hα-helixtrans-61-42174.400000111.9F269 F270 R275 I276 I277 L364F269-A273 PolarHBondContact O-N 2.92Å; F270-A273 WeakPolarHBondContact O-CA 3.48Å; F270-A273 WeakPolarHBondContact O-CB 3.34Å; F270-A273 PolarHBondContact O-N 3Å; A273-R275 VanDerWaalsContact C-N 3.31Å; A273-R275 PolarHBondContact O-N 3Å; A273-I276 PolarHBondContact O-N 2.66Å; A273-I276 VanDerWaalsContact O-N 3.11Å; A273-I277 WeakPolarHBondContact O-CG1 3.31Å; A273-I277 PolarHBondContact O-N 2.86Å; A273-L364 HydrophobicContact CB-CD2 4.19Å
274E92.7Very high90.3Very high13 Ų1348.3 Ų48.36%0.06127%0.273CS..Hα-helixtrans-58.1-41.8175.1-68.9175.2177.600112.1Q264 H266 F270 G271 F272 I276 I277 S278 W285Q264-E274 VanDerWaalsContact O-OE1 3.1Å; H266-E274 WeakPolarHBondContact CB-OE1 3.48Å; H266-E274 IonicContact CE1-OE1 3.48Å; H266-E274 IonicContact CG-OE1 3.15Å; H266-E274 PolarHBondContact N-OE1 3.01Å; H266-E274 VanDerWaalsContact N-OE1 3.15Å; H266-E274 PolarHBondContact N-OE2 3.11Å; H266-E274 IonicContact ND1-OE1 2.83Å; H266-E274 PolarHBondContact ND1-OE1 2.89Å; F270-E274 HydrophobicContact CD1-CG 3.84Å; F270-E274 VanDerWaalsContact CD1-OE1 3.31Å; F270-E274 WeakPolarHBondContact CD1-OE1 3.44Å; F270-E274 HydrophobicContact CE1-CG 4.07Å; F270-E274 WeakPolarHBondContact O-CG 3.28Å; F270-E274 PolarHBondContact O-N 2.97Å; G271-E274 PolarHBondContact O-N 3.48Å; F272-E274 VanDerWaalsContact C-N 3.35Å; F272-E274 PolarHBondContact O-N 3.18Å; E274-I276 VanDerWaalsContact C-N 3.35Å; E274-I277 PolarHBondContact O-N 3.33Å; E274-S278 WeakPolarHBondContact O-CB 3.16Å; E274-S278 PolarHBondContact O-N 3.45Å; E274-S278 PolarHBondContact O-OG 3.41Å; E274-W285 HydrophobicContact CB-CH2 3.89Å; E274-W285 HydrophobicContact CB-CZ2 3.75Å; E274-W285 HydrophobicContact CB-CZ3 4.39Å; E274-W285 HydrophobicContact CG-CE3 4.37Å; E274-W285 HydrophobicContact CG-CH2 3.54Å; E274-W285 HydrophobicContact CG-CZ2 3.97Å; E274-W285 HydrophobicContact CG-CZ3 3.74Å
275R92.5Very high90.4Very high189 Ų18947.6 Ų47.671%0.71327%0.268SS*.Hα-helixtrans-62.7-42175.4-72.4171.6-175.5-174.31.3111.4G271 F272 A273 S278 C279G271-R275 VanDerWaalsContact O-CG 3.32Å; G271-R275 WeakPolarHBondContact O-CG 3.44Å; G271-R275 PolarHBondContact O-N 3.19Å; G271-R275 VanDerWaalsContact O-N 3.07Å; F272-R275 WeakPolarHBondContact O-CB 3.32Å; F272-R275 PolarHBondContact O-N 2.85Å; A273-R275 VanDerWaalsContact C-N 3.31Å; A273-R275 PolarHBondContact O-N 3Å; R275-S278 PolarHBondContact O-N 2.77Å; R275-C279 PolarHBondContact O-N 2.97Å; R275-C279 PolarHBondContact O-SG 3.19Å
276I92.8Very high90.2Very high13 Ų1343.7 Ų43.77%0.06725%0.252CS..Hα-helixtrans-64.1-46.1176.5-67.1177.4000110.8V183 T186 W187 F272 A273 E274 S278 C279 A280V183-I276 HydrophobicContact CG1-CD1 3.38Å; T186-I276 HydrophobicContact CG2-CG2 4.05Å; W187-I276 HydrophobicContact CB-CD1 4.41Å; W187-I276 HydrophobicContact CB-CG1 4.19Å; W187-I276 HydrophobicContact CB-CG2 4.01Å; W187-I276 HydrophobicContact CG-CG1 4.44Å; F272-I276 HydrophobicContact CD1-CD1 4.07Å; F272-I276 HydrophobicContact CE1-CD1 3.47Å; F272-I276 VanDerWaalsContact CE1-CD1 3.47Å; F272-I276 HydrophobicContact CE1-CG1 4.48Å; F272-I276 HydrophobicContact CE2-CD1 4.25Å; F272-I276 HydrophobicContact CZ-CD1 3.59Å; F272-I276 HydrophobicContact CZ-CG1 4.36Å; F272-I276 PolarHBondContact O-N 3.38Å; F272-I276 VanDerWaalsContact O-N 3.12Å; A273-I276 PolarHBondContact O-N 2.66Å; A273-I276 VanDerWaalsContact O-N 3.11Å; E274-I276 VanDerWaalsContact C-N 3.35Å; I276-S278 VanDerWaalsContact C-N 3.31Å; I276-S278 PolarHBondContact O-N 3.13Å; I276-C279 WeakPolarHBondContact O-CA 3.4Å; I276-C279 VanDerWaalsContact O-CB 3.23Å; I276-C279 WeakPolarHBondContact O-CB 3.41Å; I276-C279 PolarHBondContact O-N 3.35Å; I276-A280 PolarHBondContact O-N 3.18Å; I276-A280 VanDerWaalsContact O-N 3.15Å
277I93.5Very high89.8Confident33 Ų3343.1 Ų43.117%0.16925%0.251CS..Hα-helixtrans-60.4-43.8177-65.7168.2000110.1W250 V261 A273 E274 C279 A280 V281W250-I277 HydrophobicContact CE3-CD1 4.23Å; W250-I277 HydrophobicContact CH2-CG1 4.28Å; W250-I277 HydrophobicContact CH2-CG2 4.12Å; W250-I277 HydrophobicContact CZ2-CG2 3.92Å; W250-I277 HydrophobicContact CZ3-CD1 4.3Å; W250-I277 HydrophobicContact CZ3-CG1 4.11Å; V261-I277 HydrophobicContact CB-CG2 4.21Å; V261-I277 HydrophobicContact CG1-CG2 3.68Å; A273-I277 WeakPolarHBondContact O-CG1 3.31Å; A273-I277 PolarHBondContact O-N 2.86Å; E274-I277 PolarHBondContact O-N 3.33Å; I277-C279 PolarHBondContact O-N 3.48Å; I277-C279 VanDerWaalsContact O-N 3.13Å; I277-A280 PolarHBondContact O-N 2.81Å; I277-V281 HydrophobicContact CG2-CG2 3.64Å; I277-V281 WeakPolarHBondContact O-CG2 3.32Å; I277-V281 PolarHBondContact O-N 3.28Å
278S93.6Very high89Confident37 Ų3748.5 Ų48.526%0.25925%0.252SS..Hα-helixtrans-63.3-17.5174.3-52.80000113.4R194 E274 R275 I276 W285R194-S278 PolarHBondContact NH1-O 3.44Å; R194-S278 VanDerWaalsContact NH1-O 3.14Å; E274-S278 WeakPolarHBondContact O-CB 3.16Å; E274-S278 PolarHBondContact O-N 3.45Å; E274-S278 PolarHBondContact O-OG 3.41Å; R275-S278 PolarHBondContact O-N 2.77Å; I276-S278 VanDerWaalsContact C-N 3.31Å; I276-S278 PolarHBondContact O-N 3.13Å; S278-W285 PolarHBondContact OG-NE1 3.29Å
279C91.2Very high87.8Confident16 Ų1651.7 Ų51.711%0.10825%0.253CS..Hα-helixtrans-80.5-32.2170.6-62.30000113.2G190 R194 R275 I276 I277G190-C279 CarbonylContact C-O 3.49Å; G190-C279 WeakPolarHBondContact CA-O 3.43Å; G190-C279 VanDerWaalsContact O-O 3.06Å; R194-C279 WeakPolarHBondContact CD-O 3.45Å; R194-C279 PolarHBondContact NE-O 2.86Å; R194-C279 VanDerWaalsContact NH2-CB 3.25Å; R194-C279 PolarHBondContact NH2-SG 2.81Å; R275-C279 PolarHBondContact O-N 2.97Å; R275-C279 PolarHBondContact O-SG 3.19Å; I276-C279 WeakPolarHBondContact O-CA 3.4Å; I276-C279 VanDerWaalsContact O-CB 3.23Å; I276-C279 WeakPolarHBondContact O-CB 3.41Å; I276-C279 PolarHBondContact O-N 3.35Å; I277-C279 PolarHBondContact O-N 3.48Å; I277-C279 VanDerWaalsContact O-N 3.13Å
280A91.4Very high86.7Confident12 Ų1252.2 Ų52.210%0.09926%0.257CS..Hα-helixtrans-86.8-48.8-17700000111.9T186 I210 I276 I277T186-A280 HydrophobicContact CG2-CB 4.37Å; I210-A280 HydrophobicContact CD1-CB 3.96Å; I210-A280 WeakPolarHBondContact CD1-O 3.37Å; I210-A280 HydrophobicContact CG1-CB 4.21Å; I210-A280 HydrophobicContact CG2-CB 4.42Å; I276-A280 PolarHBondContact O-N 3.18Å; I276-A280 VanDerWaalsContact O-N 3.15Å; I277-A280 PolarHBondContact O-N 2.81Å
281V94.3Very high85.4Confident9 Ų953.3 Ų53.36%0.05526%0.264CS..SBendtrans-129.4159.8-170-61.40000112I210 W250 T258 Y259 V261 I277 A283I210-V281 HydrophobicContact CD1-CG1 4.18Å; I210-V281 HydrophobicContact CG2-CG1 4.16Å; W250-V281 HydrophobicContact CZ2-CG1 4.3Å; W250-V281 HydrophobicContact CZ2-CG2 3.81Å; T258-V281 HydrophobicContact CG2-CG1 3.82Å; Y259-V281 WeakPolarHBondContact O-CB 3.22Å; V261-V281 HydrophobicContact CG1-CG2 4.32Å; I277-V281 HydrophobicContact CG2-CG2 3.64Å; I277-V281 WeakPolarHBondContact O-CG2 3.32Å; I277-V281 PolarHBondContact O-N 3.28Å; V281-A283 PolarHBondContact O-N 3.14Å
282P94Very high83.9Confident48 Ų4859.8 Ų59.831%0.31230%0.296SS..  trans-56.8138.8168.9-22.734.2000111.2A260 V261 E311A260-P282 CarbonylContact C-O 3.11Å; A260-P282 VanDerWaalsContact CA-O 3.27Å; A260-P282 WeakPolarHBondContact CA-O 3.06Å; A260-P282 HydrophobicContact CB-CB 4.04Å; V261-P282 PolarHBondContact N-O 3.19Å; P282-E311 WeakPolarHBondContact CG-OE2 3.48Å
283A93.2Very high82.8Confident33 Ų3358.5 Ų58.527%0.27329%0.294SS..EExtended strand (participates in β ladder)trans-137.2132.3-175.500000112.1V261 V281 W285V261-A283 HydrophobicContact CG1-CB 3.4Å; V261-A283 VanDerWaalsContact CG1-CB 3.4Å; V261-A283 CarbonylContact O-C 3.57Å; V261-A283 WeakPolarHBondContact O-CA 3.27Å; V281-A283 PolarHBondContact O-N 3.14Å; A283-W285 HydrophobicContact CB-CZ2 4.07Å; A283-W285 VanDerWaalsContact CB-NE1 3.25Å
284I90.3Very high81.7Confident12 Ų1265 Ų656%0.06231%0.313CS..EExtended strand (participates in β ladder)trans-112.892175.2-53.8174.9000107.4V261 V262 G263 F286 R300 L301 H304V261-I284 PolarHBondContact O-N 2.71Å; V262-I284 WeakPolarHBondContact CA-O 3.31Å; V262-I284 HydrophobicContact CG2-CB 4.26Å; V262-I284 HydrophobicContact CG2-CD1 4.41Å; G263-I284 PolarHBondContact N-O 3.03Å; I284-F286 HydrophobicContact CG2-CE1 3.94Å; I284-F286 HydrophobicContact CG2-CE2 3.88Å; I284-F286 HydrophobicContact CG2-CZ 3.4Å; I284-F286 VanDerWaalsContact CG2-CZ 3.4Å; I284-R300 HydrophobicContact CG2-CB 4.28Å; I284-L301 HydrophobicContact CD1-CD2 4Å; I284-H304 HydrophobicContact CD1-CB 4.04Å
285W88.3Confident80.8Confident37 Ų3771.9 Ų71.914%0.1435%0.345CS..EExtended strand (participates in β ladder)trans-91.4139.7176.9-55.9109.5000112.1V261 G263 K265 E274 S278 A283 R300V261-W285 HydrophobicContact CG1-CH2 4.05Å; V261-W285 HydrophobicContact CG1-CZ2 3.79Å; V261-W285 HydrophobicContact CG2-CH2 4.17Å; G263-W285 CarbonylContact O-C 3.56Å; G263-W285 VanDerWaalsContact O-CA 3.31Å; G263-W285 WeakPolarHBondContact O-CA 3.3Å; K265-W285 HydrophobicContact CD-CB 4.23Å; K265-W285 HydrophobicContact CG-CB 3.54Å; K265-W285 HydrophobicContact CG-CG 4.27Å; E274-W285 HydrophobicContact CB-CH2 3.89Å; E274-W285 HydrophobicContact CB-CZ2 3.75Å; E274-W285 HydrophobicContact CB-CZ3 4.39Å; E274-W285 HydrophobicContact CG-CE3 4.37Å; E274-W285 HydrophobicContact CG-CH2 3.54Å; E274-W285 HydrophobicContact CG-CZ2 3.97Å; E274-W285 HydrophobicContact CG-CZ3 3.74Å; S278-W285 PolarHBondContact OG-NE1 3.29Å; A283-W285 HydrophobicContact CB-CZ2 4.07Å; A283-W285 VanDerWaalsContact CB-NE1 3.25Å; W285-R300 PolarHBondContact O-NH1 3.01Å
286F83.1Confident80.1Confident12 Ų1264.5 Ų64.55%0.05332%0.323CS..EExtended strand (participates in β ladder)trans-118.5143.9177.2-58.9-70.9000111.6V262 G263 Q264 K265 I284 I291 T297V262-F286 HydrophobicContact CG1-CD2 4.1Å; V262-F286 HydrophobicContact CG1-CE2 3.44Å; V262-F286 VanDerWaalsContact CG1-CE2 3.44Å; V262-F286 HydrophobicContact CG1-CZ 4.43Å; G263-F286 PolarHBondContact O-N 2.97Å; Q264-F286 CarbonylContact C-O 3.47Å; Q264-F286 VanDerWaalsContact CA-O 3.3Å; Q264-F286 WeakPolarHBondContact CA-O 3.34Å; K265-F286 PolarHBondContact N-O 3.15Å; I284-F286 HydrophobicContact CG2-CE1 3.94Å; I284-F286 HydrophobicContact CG2-CE2 3.88Å; I284-F286 HydrophobicContact CG2-CZ 3.4Å; I284-F286 VanDerWaalsContact CG2-CZ 3.4Å; F286-I291 HydrophobicContact CB-CG1 3.97Å; F286-T297 HydrophobicContact CE1-CG2 3.84Å; F286-T297 HydrophobicContact CE2-CG2 3.78Å; F286-T297 HydrophobicContact CZ-CG2 3.34Å
287D78.5Confident79.3Confident59 Ų5965.2 Ų65.232%0.31633%0.327SS..  trans-83.7154.2168.7-71.2-60.4000110.7K265 D289 E290 I291K265-D287 WeakPolarHBondContact CD-OD1 3.31Å; K265-D287 IonicContact NZ-OD1 2.64Å; K265-D287 IonicContact NZ-OD2 2.66Å; K265-D287 PolarHBondContact NZ-OD2 3.28Å; D287-D289 PolarHBondContact O-N 2.68Å; D287-E290 HydrophobicContact CB-CB 4.43Å; D287-E290 HydrophobicContact CB-CG 4.16Å; D287-E290 PolarHBondContact O-N 3.31Å; D287-E290 VanDerWaalsContact O-N 3.07Å; D287-I291 WeakPolarHBondContact O-CG1 3.45Å; D287-I291 PolarHBondContact O-N 3.17Å; D287-I291 VanDerWaalsContact O-N 3.14Å
288R68.9Low78.8Confident173 Ų17364.5 Ų64.565%0.65333%0.326SS*.THydrogen-bonded Turntrans-56.5-36.6-177.1-77.3-176.2-179.4-175.52.1112.6Q264Q264-R288 HydrophobicContact CG-CG 4.02Å
289D63.8Low78.5Confident136 Ų13669.3 Ų69.373%0.72734%0.343SS*.THydrogen-bonded Turntrans-75.8-33.5179.8-54.1-36.6000111.6D287 I291 L292D287-D289 PolarHBondContact O-N 2.68Å; D289-I291 VanDerWaalsContact C-N 3.33Å; D289-I291 PolarHBondContact O-N 3.21Å; D289-L292 WeakPolarHBondContact O-CB 3.48Å; D289-L292 PolarHBondContact O-N 2.83Å
290E60.5Low78.4Confident80 Ų8073.2 Ų73.237%0.37436%0.355SS..G310 helixtrans-69.5-27.9176.9-72.1-176.1173.600112.9D287 L292 D293D287-E290 HydrophobicContact CB-CB 4.43Å; D287-E290 HydrophobicContact CB-CG 4.16Å; D287-E290 PolarHBondContact O-N 3.31Å; D287-E290 VanDerWaalsContact O-N 3.07Å; E290-L292 PolarHBondContact O-N 2.97Å; E290-D293 CarbonylContact O-C 3.59Å; E290-D293 WeakPolarHBondContact O-CA 3.5Å; E290-D293 PolarHBondContact O-N 2.77Å
291I59.4Low78.4Confident66 Ų6672.8 Ų72.834%0.33835%0.351SS..G310 helixtrans-58.4-22.3176.3-68.4169.6000111.3Q264 F286 D287 D289Q264-I291 HydrophobicContact CB-CD1 4.16Å; Q264-I291 HydrophobicContact CG-CD1 3.85Å; F286-I291 HydrophobicContact CB-CG1 3.97Å; D287-I291 WeakPolarHBondContact O-CG1 3.45Å; D287-I291 PolarHBondContact O-N 3.17Å; D287-I291 VanDerWaalsContact O-N 3.14Å; D289-I291 VanDerWaalsContact C-N 3.33Å; D289-I291 PolarHBondContact O-N 3.21Å
292L60.2Low78.3Confident144 Ų14478.6 Ų78.675%0.75438%0.376SS*.G310 helixtrans-70.6-32.3173.2-59.1171.9000112.1D289 E290 R294D289-L292 WeakPolarHBondContact O-CB 3.48Å; D289-L292 PolarHBondContact O-N 2.83Å; E290-L292 PolarHBondContact O-N 2.97Å; L292-R294 PolarHBondContact O-N 2.71Å; L292-R294 VanDerWaalsContact O-N 3.12Å
293D66.3Low78.2Confident82 Ų8280.7 Ų80.744%0.43938%0.384SS..  trans-84.780.3172-174.12.8000111.4E290 H295 S296 T297E290-D293 CarbonylContact O-C 3.59Å; E290-D293 WeakPolarHBondContact O-CA 3.5Å; E290-D293 PolarHBondContact O-N 2.77Å; D293-H295 PolarHBondContact O-N 3.07Å; D293-H295 PolarHBondContact OD1-N 2.9Å; D293-S296 PolarHBondContact O-N 2.97Å; D293-S296 PolarHBondContact O-OG 3.12Å; D293-S296 PolarHBondContact OD1-N 2.75Å; D293-S296 WeakPolarHBondContact OD2-CB 3.39Å; D293-T297 PolarHBondContact O-N 3.3Å
294R67.6Low78.3Confident161 Ų16180.6 Ų80.661%0.60838%0.378SS*.Hα-helixtrans-58.5-29.8178.4-63.8178.5-179.7157.2-0.7113.4L292 T297 A298L292-R294 PolarHBondContact O-N 2.71Å; L292-R294 VanDerWaalsContact O-N 3.12Å; R294-T297 PolarHBondContact O-N 2.93Å; R294-A298 PolarHBondContact O-N 2.91Å
295H73.1Confident78.4Confident157 Ų15780.7 Ų80.773%0.72738%0.381SS*.Hα-helixtrans-70.8-40.8-177.9-72.6-69.2000111.5D293 T297 K299D293-H295 PolarHBondContact O-N 3.07Å; D293-H295 PolarHBondContact OD1-N 2.9Å; H295-T297 VanDerWaalsContact C-N 3.29Å; H295-T297 PolarHBondContact O-N 2.92Å; H295-K299 WeakPolarHBondContact O-CB 3.45Å; H295-K299 PolarHBondContact O-N 2.89Å
296S78.3Confident78.6Confident35 Ų3582.6 Ų82.625%0.24540%0.404CS..Hα-helixtrans-60.3-41.4174.375.50000111.6D293 K299 R300D293-S296 PolarHBondContact O-N 2.97Å; D293-S296 PolarHBondContact O-OG 3.12Å; D293-S296 PolarHBondContact OD1-N 2.75Å; D293-S296 WeakPolarHBondContact OD2-CB 3.39Å; S296-K299 PolarHBondContact O-N 2.82Å; S296-R300 WeakPolarHBondContact O-CG 3.44Å; S296-R300 PolarHBondContact O-N 3.13Å
297T76.5Confident79.1Confident27 Ų2785.5 Ų85.517%0.16642%0.423CS..Hα-helixtrans-63.5-53.9179.3-60.20000111F286 D293 R294 H295 K299 R300 L301F286-T297 HydrophobicContact CE1-CG2 3.84Å; F286-T297 HydrophobicContact CE2-CG2 3.78Å; F286-T297 HydrophobicContact CZ-CG2 3.34Å; D293-T297 PolarHBondContact O-N 3.3Å; R294-T297 PolarHBondContact O-N 2.93Å; H295-T297 VanDerWaalsContact C-N 3.29Å; H295-T297 PolarHBondContact O-N 2.92Å; T297-K299 PolarHBondContact O-N 3.2Å; T297-R300 PolarHBondContact O-N 3.14Å; T297-L301 HydrophobicContact CG2-CD1 4.26Å; T297-L301 WeakPolarHBondContact O-CG 3.36Å; T297-L301 PolarHBondContact O-N 3.29Å
298A82.6Confident79.8Confident18 Ų1887.9 Ų87.915%0.14944%0.442CS..Hα-helixtrans-58.7-37.2178.800000112.1R294 K302R294-A298 PolarHBondContact O-N 2.91Å; A298-K302 VanDerWaalsContact O-CB 3.31Å; A298-K302 WeakPolarHBondContact O-CB 3.33Å; A298-K302 PolarHBondContact O-N 2.83Å
299K86.8Confident80.9Confident139 Ų13986.4 Ų86.460%0.60445%0.447SS*.Hα-helixtrans-64.9-44.6176.4-172.3177.5-178.3179.80112.5H295 S296 T297 K302 N303H295-K299 WeakPolarHBondContact O-CB 3.45Å; H295-K299 PolarHBondContact O-N 2.89Å; S296-K299 PolarHBondContact O-N 2.82Å; T297-K299 PolarHBondContact O-N 3.2Å; K299-K302 PolarHBondContact O-N 2.84Å; K299-N303 WeakPolarHBondContact O-CB 3.44Å; K299-N303 PolarHBondContact O-N 2.78Å; K299-N303 PolarHBondContact O-OD1 2.69Å
300R88.9Confident82.3Confident97 Ų9780.2 Ų80.237%0.36641%0.414SS..Hα-helixtrans-63.7-42.4177.5-71.7177.872.9-168-0.1111.7I284 W285 S296 T297 N303 H304I284-R300 HydrophobicContact CG2-CB 4.28Å; W285-R300 PolarHBondContact O-NH1 3.01Å; S296-R300 WeakPolarHBondContact O-CG 3.44Å; S296-R300 PolarHBondContact O-N 3.13Å; T297-R300 PolarHBondContact O-N 3.14Å; R300-N303 PolarHBondContact O-N 2.84Å; R300-H304 PolarHBondContact O-N 2.89Å
301L91.2Very high84Confident3 Ų379.1 Ų79.12%0.01641%0.409CS..Hα-helixtrans-61.1-45.8174.6-64.4177.9000111.4V262 I284 T297 N303 H304 A305 I313 I315 C334 V337V262-L301 HydrophobicContact CG1-CD2 4.48Å; V262-L301 HydrophobicContact CG2-CD2 3.89Å; I284-L301 HydrophobicContact CD1-CD2 4Å; T297-L301 HydrophobicContact CG2-CD1 4.26Å; T297-L301 WeakPolarHBondContact O-CG 3.36Å; T297-L301 PolarHBondContact O-N 3.29Å; L301-N303 PolarHBondContact O-N 2.81Å; L301-H304 PolarHBondContact O-N 3.36Å; L301-A305 WeakPolarHBondContact O-CB 3.44Å; L301-A305 PolarHBondContact O-N 3.06Å; L301-I313 HydrophobicContact CB-CD1 4.4Å; L301-I313 HydrophobicContact CD2-CD1 4.04Å; L301-I313 HydrophobicContact CD2-CG2 3.99Å; L301-I315 HydrophobicContact CD1-CD1 3.87Å; L301-I315 HydrophobicContact CD2-CD1 3.99Å; L301-C334 HydrophobicContact CD1-CB 4.35Å; L301-V337 HydrophobicContact CB-CG1 4.39Å; L301-V337 HydrophobicContact CB-CG2 3.74Å; L301-V337 HydrophobicContact CD1-CG2 3.99Å
302K91.8Very high85.8Confident131 Ų13176.3 Ų76.357%0.5740%0.396SS*.Hα-helixtrans-61.1-43.8177.3-169.1173.3-178.4174.90112.3A298 K299 A305 A306 V337A298-K302 VanDerWaalsContact O-CB 3.31Å; A298-K302 WeakPolarHBondContact O-CB 3.33Å; A298-K302 PolarHBondContact O-N 2.83Å; K299-K302 PolarHBondContact O-N 2.84Å; K302-A305 PolarHBondContact O-N 3.46Å; K302-A306 WeakPolarHBondContact O-CB 3.45Å; K302-A306 PolarHBondContact O-N 3.45Å; K302-V337 HydrophobicContact CB-CG1 3.93Å; K302-V337 HydrophobicContact CG-CG1 4.38Å
303N93.6Very high87.6Confident93 Ų9369.5 Ų69.550%0.49736%0.36SS..Hα-helixtrans-64.2-42.3179.3-70.6-6.2000112.1K299 R300 L301 A306 T307K299-N303 WeakPolarHBondContact O-CB 3.44Å; K299-N303 PolarHBondContact O-N 2.78Å; K299-N303 PolarHBondContact O-OD1 2.69Å; R300-N303 PolarHBondContact O-N 2.84Å; L301-N303 PolarHBondContact O-N 2.81Å; N303-A306 PolarHBondContact O-N 3.24Å; N303-T307 PolarHBondContact O-N 2.82Å; N303-T307 PolarHBondContact O-OG1 3.04Å
304H94.3Very high89.1Confident31 Ų3165.7 Ų65.714%0.14434%0.339CS..Hα-helixtrans-63.9-48.7174.4-178.195.8000110.9A260 I284 R300 L301 A306 T307 A310 E311 I313A260-H304 WeakPolarHBondContact CB-NE2 3.22Å; I284-H304 HydrophobicContact CD1-CB 4.04Å; R300-H304 PolarHBondContact O-N 2.89Å; L301-H304 PolarHBondContact O-N 3.36Å; H304-A306 PolarHBondContact O-N 3.24Å; H304-T307 VanDerWaalsContact O-CB 3.32Å; H304-T307 WeakPolarHBondContact O-CB 3.24Å; H304-T307 PolarHBondContact O-N 3.46Å; H304-A310 WeakPolarHBondContact O-CB 3.48Å; H304-E311 PolarHBondContact NE2-O 3.02Å; H304-I313 HydrophobicContact CB-CD1 3.99Å; H304-I313 WeakPolarHBondContact CD2-CG1 3.29Å
305A91.9Very high90.5Very high14 Ų1458.8 Ų58.812%0.11632%0.315CS..Hα-helixtrans-62.3-23.9178.600000113.3N237 L301 K302 I313 A339N237-A305 WeakPolarHBondContact CB-O 3.44Å; N237-A305 PolarHBondContact ND2-O 3.43Å; L301-A305 WeakPolarHBondContact O-CB 3.44Å; L301-A305 PolarHBondContact O-N 3.06Å; K302-A305 PolarHBondContact O-N 3.46Å; A305-I313 HydrophobicContact CB-CD1 4.45Å; A305-A339 HydrophobicContact CB-CB 4.3Å
306A93.2Very high91.6Very high76 Ų7653 Ų5363%0.62829%0.287SS*.Hα-helixtrans-83.7-12.3174.600000114K302 N303 H304K302-A306 WeakPolarHBondContact O-CB 3.45Å; K302-A306 PolarHBondContact O-N 3.45Å; N303-A306 PolarHBondContact O-N 3.24Å; H304-A306 PolarHBondContact O-N 3.24Å
307T94.2Very high92.3Very high74 Ų7451.6 Ų51.645%0.45428%0.277SS..SBendtrans-74.3123.1-178.7-63.30000110.1N237 N303 H304 N309 A310N237-T307 PolarHBondContact ND2-O 2.94Å; N303-T307 PolarHBondContact O-N 2.82Å; N303-T307 PolarHBondContact O-OG1 3.04Å; H304-T307 VanDerWaalsContact O-CB 3.32Å; H304-T307 WeakPolarHBondContact O-CB 3.24Å; H304-T307 PolarHBondContact O-N 3.46Å; T307-N309 PolarHBondContact O-N 2.84Å; T307-A310 HydrophobicContact CG2-CB 4.3Å; T307-A310 WeakPolarHBondContact O-CB 3.31Å; T307-A310 PolarHBondContact O-N 3.44Å; T307-A310 VanDerWaalsContact O-N 3.08Å
308P92.6Very high93.1Very high109 Ų10950.4 Ų50.471%0.70827%0.27SS*.THydrogen-bonded Turntrans-54.1131.2-174.9-27.434.6000113.4A310P308-A310 PolarHBondContact O-N 3.13Å
309N91.2Very high93.3Very high142 Ų14252 Ų5276%0.75929%0.288SS*.THydrogen-bonded Turntrans58.621.7-179.7-56.5-44000114.9N237 T307N237-N309 PolarHBondContact OD1-N 2.91Å; T307-N309 PolarHBondContact O-N 2.84Å
310A93.9Very high93.4Very high5 Ų546.2 Ų46.24%0.04126%0.264CS..PPolyproline II helixtrans-65.1141.7176.100000111.3A236 N237 H304 T307 P308A236-A310 CarbonylContact C-O 3.4Å; A236-A310 WeakPolarHBondContact CA-O 3.09Å; A236-A310 WeakPolarHBondContact CB-O 3.42Å; N237-A310 PolarHBondContact N-O 3.19Å; H304-A310 WeakPolarHBondContact O-CB 3.48Å; T307-A310 HydrophobicContact CG2-CB 4.3Å; T307-A310 WeakPolarHBondContact O-CB 3.31Å; T307-A310 PolarHBondContact O-N 3.44Å; T307-A310 VanDerWaalsContact O-N 3.08Å; P308-A310 PolarHBondContact O-N 3.13Å
311E96.2Very high93.6Very high57 Ų5742 Ų4227%0.26625%0.25SC..PPolyproline II helixtrans-58.4145177.8-64.480.4179.300110.9T258 P282 H304 I313T258-E311 HydrophobicContact CG2-CG 4.31Å; P282-E311 WeakPolarHBondContact CG-OE2 3.48Å; H304-E311 PolarHBondContact NE2-O 3.02Å; E311-I313 PolarHBondContact O-N 2.64Å
312P98Very high93.7Very high8 Ų841.9 Ų41.95%0.05225%0.249CC..PPolyproline II helixtrans-54.2137.7174.719.2-29.7000110.6P234 K235 T238 V257 Y259 A260 L314P234-P312 HydrophobicContact CB-CB 3.74Å; P234-P312 HydrophobicContact CB-CG 3.94Å; K235-P312 VanDerWaalsContact O-CB 3.3Å; K235-P312 WeakPolarHBondContact O-CB 3.45Å; T238-P312 WeakPolarHBondContact O-CA 3.35Å; V257-P312 HydrophobicContact CG1-CG 3.93Å; Y259-P312 CarbonylContact C-O 3.54Å; Y259-P312 VanDerWaalsContact CA-O 3.31Å; Y259-P312 WeakPolarHBondContact CA-O 3.47Å; Y259-P312 HydrophobicContact CD1-CB 3.96Å; Y259-P312 HydrophobicContact CD1-CG 3.73Å; Y259-P312 HydrophobicContact CE1-CB 4.2Å; Y259-P312 HydrophobicContact CE1-CG 3.95Å; A260-P312 PolarHBondContact N-O 3.13Å; P312-L314 PolarHBondContact O-N 2.68Å
313I98Very high93.6Very high0 Ų036.3 Ų36.30%023%0.225CC..EExtended strand (participates in β ladder)trans-82.3119.2177.6-52.5179.7000108.6T238 I239 C240 V262 L301 H304 A305 E311 I315T238-I313 PolarHBondContact O-N 3.06Å; I239-I313 CarbonylContact C-O 3.6Å; I239-I313 WeakPolarHBondContact CA-O 3.41Å; I239-I313 HydrophobicContact CG1-CB 4.3Å; I239-I313 HydrophobicContact CG1-CD1 4.38Å; C240-I313 PolarHBondContact N-O 3.35Å; V262-I313 HydrophobicContact CB-CG2 4.48Å; V262-I313 HydrophobicContact CG2-CG2 3.14Å; L301-I313 HydrophobicContact CB-CD1 4.4Å; L301-I313 HydrophobicContact CD2-CD1 4.04Å; L301-I313 HydrophobicContact CD2-CG2 3.99Å; H304-I313 HydrophobicContact CB-CD1 3.99Å; H304-I313 WeakPolarHBondContact CD2-CG1 3.29Å; A305-I313 HydrophobicContact CB-CD1 4.45Å; E311-I313 PolarHBondContact O-N 2.64Å; I313-I315 HydrophobicContact CG2-CD1 4.03Å; I313-I315 HydrophobicContact CG2-CG1 3.84Å
314L97.9Very high93.6Very high2 Ų232.1 Ų32.11%0.0120%0.203CC..EExtended strand (participates in β ladder)trans-88.1123.9173.2179.457.7000110.8C240 A242 W250 L253 Y259 A260 P312 F316C240-L314 HydrophobicContact CB-CD1 4.05Å; A242-L314 HydrophobicContact CB-CD1 4.44Å; W250-L314 HydrophobicContact CB-CD2 4.47Å; W250-L314 HydrophobicContact CG-CD2 4.43Å; L253-L314 HydrophobicContact CB-CD2 4.15Å; L253-L314 HydrophobicContact CD1-CD1 3.54Å; L253-L314 HydrophobicContact CD1-CD2 3.77Å; L253-L314 HydrophobicContact CD1-CG 4.34Å; Y259-L314 HydrophobicContact CD1-CB 3.78Å; Y259-L314 HydrophobicContact CD2-CD2 4.24Å; Y259-L314 HydrophobicContact CG-CB 3.78Å; Y259-L314 HydrophobicContact CG-CD2 4.25Å; A260-L314 PolarHBondContact O-N 3.38Å; P312-L314 PolarHBondContact O-N 2.68Å; L314-F316 HydrophobicContact CD1-CE1 4.49Å; L314-F316 HydrophobicContact CD1-CZ 4.27Å; L314-F316 HydrophobicContact CD2-CE2 4.05Å; L314-F316 HydrophobicContact CD2-CZ 3.82Å; L314-F316 HydrophobicContact CG-CE2 4.09Å; L314-F316 HydrophobicContact CG-CZ 4.06Å
315I96.1Very high93.4Very high17 Ų1731 Ų319%0.08720%0.198CC..EExtended strand (participates in β ladder)trans-129.7135.9179.2-57.5-177.9000109.9I239 C240 V241 A242 V262 L301 I313 P317 C334I239-I315 HydrophobicContact CG2-CD1 3.82Å; I239-I315 HydrophobicContact CG2-CG1 4.18Å; C240-I315 PolarHBondContact O-N 2.68Å; V241-I315 WeakPolarHBondContact CA-O 3.33Å; A242-I315 PolarHBondContact N-O 3.26Å; V262-I315 HydrophobicContact CB-CG1 4.21Å; V262-I315 HydrophobicContact CG2-CD1 4.47Å; V262-I315 HydrophobicContact CG2-CG1 4.02Å; L301-I315 HydrophobicContact CD1-CD1 3.87Å; L301-I315 HydrophobicContact CD2-CD1 3.99Å; I313-I315 HydrophobicContact CG2-CD1 4.03Å; I313-I315 HydrophobicContact CG2-CG1 3.84Å; I315-P317 HydrophobicContact CG2-CB 4.46Å; I315-P317 VanDerWaalsContact O-CD 3.24Å; I315-P317 WeakPolarHBondContact O-CD 3.4Å; I315-C334 HydrophobicContact CD1-CB 3.5Å; I315-C334 HydrophobicContact CG2-CB 4.23Å
316F95.9Very high93.3Very high34 Ų3430.3 Ų30.315%0.14919%0.193CC..  trans-105.984.5171.6-64.4-69.1000109.2A242 N243 H244 D249 W250 L314 E318 G319 I346A242-F316 HydrophobicContact CB-CD1 4.09Å; A242-F316 HydrophobicContact CB-CE1 3.85Å; N243-F316 WeakPolarHBondContact O-CD1 3.21Å; H244-F316 HydrophobicContact CB-CB 3.82Å; H244-F316 HydrophobicContact CB-CD1 3.8Å; H244-F316 HydrophobicContact CB-CG 4.02Å; H244-F316 AromaticContact CE1-CD2 3.96Å; H244-F316 AromaticContact CG-CD1 3.8Å; H244-F316 AromaticContact CG-CG 3.68Å; H244-F316 AromaticContact ND1-CD1 3.65Å; H244-F316 AromaticContact ND1-CE1 3.97Å; H244-F316 AromaticContact ND1-CG 3.67Å; D249-F316 HydrophobicContact CB-CE1 3.6Å; D249-F316 HydrophobicContact CB-CE2 4.38Å; D249-F316 HydrophobicContact CB-CZ 3.46Å; D249-F316 VanDerWaalsContact CB-CZ 3.46Å; W250-F316 HydrophobicContact CB-CE2 4.43Å; L314-F316 HydrophobicContact CD1-CE1 4.49Å; L314-F316 HydrophobicContact CD1-CZ 4.27Å; L314-F316 HydrophobicContact CD2-CE2 4.05Å; L314-F316 HydrophobicContact CD2-CZ 3.82Å; L314-F316 HydrophobicContact CG-CE2 4.09Å; L314-F316 HydrophobicContact CG-CZ 4.06Å; F316-E318 PolarHBondContact O-N 3.14Å; F316-E318 VanDerWaalsContact O-N 3.14Å; F316-G319 PolarHBondContact O-N 3.38Å; F316-G319 VanDerWaalsContact O-N 3.13Å; F316-I346 HydrophobicContact CE1-CD1 4.29Å
317P94Very high93.3Very high6 Ų626.7 Ų26.74%0.03916%0.163CC..THydrogen-bonded Turntrans-72.4-7.8-16631.4-39.5000114.5V241 A242 I315 G319 F330 K331 F335V241-P317 HydrophobicContact CG1-CG 3.53Å; A242-P317 WeakPolarHBondContact O-CD 3.32Å; I315-P317 HydrophobicContact CG2-CB 4.46Å; I315-P317 VanDerWaalsContact O-CD 3.24Å; I315-P317 WeakPolarHBondContact O-CD 3.4Å; P317-G319 PolarHBondContact O-N 2.92Å; P317-F330 HydrophobicContact CB-CB 3.99Å; P317-F330 HydrophobicContact CB-CD1 4.29Å; P317-F330 HydrophobicContact CB-CD2 4.4Å; P317-F330 HydrophobicContact CB-CG 4Å; P317-F330 HydrophobicContact CG-CB 3.99Å; P317-F330 HydrophobicContact CG-CD1 3.58Å; P317-F330 HydrophobicContact CG-CD2 3.54Å; P317-F330 HydrophobicContact CG-CE1 3.79Å; P317-F330 HydrophobicContact CG-CE2 3.75Å; P317-F330 HydrophobicContact CG-CG 3.43Å; P317-F330 VanDerWaalsContact CG-CG 3.43Å; P317-F330 HydrophobicContact CG-CZ 3.86Å; P317-K331 WeakPolarHBondContact O-CB 3.24Å; P317-K331 VanDerWaalsContact O-CG 3.31Å; P317-K331 WeakPolarHBondContact O-CG 3.06Å; P317-K331 PolarHBondContact O-N 2.76Å; P317-F335 HydrophobicContact CB-CE2 4.21Å; P317-F335 HydrophobicContact CG-CE2 4.47Å
318E92Very high93.3Very high2 Ų223.2 Ų23.21%0.00914%0.141CC..THydrogen-bonded Turntrans-61.2-27.8169.1-61.9-175.4-110.700111.4N243 H244 F316 T320 I322 V327 M328 F330N243-E318 WeakPolarHBondContact CA-OE1 3.31Å; N243-E318 VanDerWaalsContact CB-OE1 3.27Å; N243-E318 WeakPolarHBondContact CB-OE1 3.17Å; H244-E318 PolarHBondContact N-OE1 2.97Å; F316-E318 PolarHBondContact O-N 3.14Å; F316-E318 VanDerWaalsContact O-N 3.14Å; E318-T320 PolarHBondContact O-N 3.38Å; E318-I322 WeakPolarHBondContact OE2-CG1 3.47Å; E318-V327 HydrophobicContact CG-CG1 4.48Å; E318-M328 HydrophobicContact CB-CB 4.42Å; E318-M328 HydrophobicContact CG-CB 4.23Å; E318-M328 WeakPolarHBondContact OE2-CB 3.42Å; E318-M328 PolarHBondContact OE2-N 3.38Å; E318-F330 HydrophobicContact CG-CD1 3.83Å; E318-F330 HydrophobicContact CG-CE1 3.62Å
319G86.7Confident93.2Very high51 Ų5120.1 Ų20.153%0.52612%0.117SC..SBendtrans70.25.4179.600000114.6F316 P317F316-G319 PolarHBondContact O-N 3.38Å; F316-G319 VanDerWaalsContact O-N 3.13Å; P317-G319 PolarHBondContact O-N 2.92Å
320T89.6Confident93.4Very high18 Ų1813.6 Ų13.611%0.118%0.082CC..SBendtrans-154155.1176.1-1790000109.6F128 E318 I322F128-T320 HydrophobicContact CE1-CG2 3.77Å; F128-T320 HydrophobicContact CZ-CG2 4.22Å; E318-T320 PolarHBondContact O-N 3.38Å; T320-I322 HydrophobicContact CG2-CD1 3.84Å; T320-I322 HydrophobicContact CG2-CG1 4.46Å
321C93.6Very high93.1Very high9 Ų916.8 Ų16.86%0.06110%0.095CC..  trans-74.8140168.7-600000110.5H244 T245 F356H244-C321 WeakPolarHBondContact O-CA 3.41Å; T245-C321 WeakPolarHBondContact O-CB 3.31Å; C321-F356 HydrophobicContact CB-CE2 4.36Å; C321-F356 WeakPolarHBondContact O-CE2 3.33Å
322I92.5Very high92.5Very high1 Ų117.8 Ų17.81%0.00510%0.098CC..  trans-125.1154178.4-56.6-59.9000109.7R127 F128 H244 T245 E318 T320 N324 S326 M328R127-I322 HydrophobicContact CB-CG2 4.15Å; F128-I322 HydrophobicContact CD1-CD1 3.7Å; F128-I322 HydrophobicContact CE1-CD1 3.06Å; F128-I322 HydrophobicContact CE2-CD1 4.27Å; F128-I322 HydrophobicContact CZ-CD1 3.39Å; H244-I322 PolarHBondContact O-N 2.92Å; T245-I322 VanDerWaalsContact CA-O 3.24Å; T245-I322 WeakPolarHBondContact CA-O 3.47Å; T245-I322 WeakPolarHBondContact CB-O 3.43Å; T245-I322 WeakPolarHBondContact CG2-O 3.46Å; T245-I322 PolarHBondContact OG1-O 3.39Å; E318-I322 WeakPolarHBondContact OE2-CG1 3.47Å; T320-I322 HydrophobicContact CG2-CD1 3.84Å; T320-I322 HydrophobicContact CG2-CG1 4.46Å; I322-N324 PolarHBondContact O-N 3.05Å; I322-S326 WeakPolarHBondContact CG2-O 3.35Å; I322-M328 HydrophobicContact CD1-CB 4.47Å; I322-M328 HydrophobicContact CD1-CE 4.17Å; I322-M328 HydrophobicContact CD1-CG 3.45Å; I322-M328 VanDerWaalsContact CD1-CG 3.45Å; I322-M328 HydrophobicContact CG1-CB 4.39Å; I322-M328 HydrophobicContact CG1-CG 3.67Å; I322-M328 HydrophobicContact CG2-CE 4.5Å
323N91.3Very high91.9Very high13 Ų1318.5 Ų18.57%0.0711%0.107CC..  trans-6914.6-175.274.9-0.2000116.4K126 R127 T129 T325 F356K126-N323 PolarHBondContact O-ND2 2.9Å; K126-N323 VanDerWaalsContact O-ND2 3.13Å; R127-N323 WeakPolarHBondContact O-CB 3.38Å; R127-N323 PolarHBondContact O-N 3.48Å; R127-N323 PolarHBondContact O-OD1 3.32Å; T129-N323 WeakPolarHBondContact O-CB 3.32Å; T129-N323 PolarHBondContact O-ND2 3.39Å; N323-T325 PolarHBondContact O-N 2.85Å; N323-T325 WeakPolarHBondContact OD1-CB 3.24Å; N323-T325 WeakPolarHBondContact OD1-CG2 3.47Å; N323-T325 PolarHBondContact OD1-N 2.92Å; N323-T325 VanDerWaalsContact OD1-N 3.11Å; N323-T325 PolarHBondContact OD1-OG1 2.92Å; N323-F356 HydrophobicContact CB-CB 4.15Å; N323-F356 HydrophobicContact CB-CD1 4.19Å; N323-F356 HydrophobicContact CB-CD2 4.15Å; N323-F356 HydrophobicContact CB-CG 3.88Å
324N93.6Very high91.4Very high6 Ų619 Ų193%0.03211%0.11CC..SBendtrans6610.3178.2-154.9-113.9000115.3N243 T245 I322 I346 R347 Y348 M412N243-N324 PolarHBondContact ND2-ND2 3.5Å; T245-N324 HydrophobicContact CG2-CB 3.83Å; T245-N324 VanDerWaalsContact OG1-CB 3.31Å; T245-N324 WeakPolarHBondContact OG1-CB 3.46Å; T245-N324 PolarHBondContact OG1-ND2 3.07Å; I322-N324 PolarHBondContact O-N 3.05Å; N324-I346 PolarHBondContact ND2-O 3.23Å; N324-R347 PolarHBondContact O-NH1 3.06Å; N324-R347 WeakPolarHBondContact OD1-CA 3.22Å; N324-R347 VanDerWaalsContact OD1-CD 3.29Å; N324-R347 WeakPolarHBondContact OD1-CD 3.17Å; N324-Y348 PolarHBondContact OD1-N 3Å; N324-M412 WeakPolarHBondContact O-CG 3.45Å
325T89.2Confident91.1Very high6 Ų619.1 Ų19.14%0.03711%0.111CC..SBendtrans-89.5-19172.466.80000113Y74 R127 A131 N323 I413Y74-T325 HydrophobicContact CD1-CG2 4.15Å; Y74-T325 HydrophobicContact CE1-CG2 3.98Å; R127-T325 WeakPolarHBondContact CD-OG1 3.41Å; R127-T325 PolarHBondContact NH1-OG1 2.94Å; A131-T325 HydrophobicContact CB-CG2 3.88Å; N323-T325 PolarHBondContact O-N 2.85Å; N323-T325 WeakPolarHBondContact OD1-CB 3.24Å; N323-T325 WeakPolarHBondContact OD1-CG2 3.47Å; N323-T325 PolarHBondContact OD1-N 2.92Å; N323-T325 VanDerWaalsContact OD1-N 3.11Å; N323-T325 PolarHBondContact OD1-OG1 2.92Å; T325-I413 PolarHBondContact O-N 3.21Å
326S90.2Very high90.8Very high1 Ų122.1 Ų22.11%0.00712%0.124CC..EExtended strand (participates in β ladder)trans-146.9162.5-178.768.40000110.5R127 I322 I413R127-S326 WeakPolarHBondContact CD-OG 3.41Å; R127-S326 WeakPolarHBondContact CG-OG 3.41Å; I322-S326 WeakPolarHBondContact CG2-O 3.35Å; S326-I413 CarbonylContact C-O 3.58Å; S326-I413 WeakPolarHBondContact CA-O 3.47Å; S326-I413 WeakPolarHBondContact CB-O 3.4Å
327V93.7Very high90.4Very high0 Ų021.1 Ų21.10%012%0.121CC..EExtended strand (participates in β ladder)trans-112.8117.3172-175.20000107.5N243 E318 F330 Q403 I406 A407 M412 I413 M415N243-V327 HydrophobicContact CB-CG1 4.11Å; N243-V327 HydrophobicContact CB-CG2 3.97Å; E318-V327 HydrophobicContact CG-CG1 4.48Å; V327-F330 HydrophobicContact CG1-CD1 4.27Å; V327-F330 HydrophobicContact CG1-CE1 3.36Å; V327-F330 HydrophobicContact CG1-CZ 3.81Å; V327-Q403 HydrophobicContact CB-CG 4.35Å; V327-Q403 HydrophobicContact CG1-CG 3.72Å; V327-Q403 PolarHBondContact O-NE2 3.45Å; V327-I406 HydrophobicContact CG2-CG2 4.29Å; V327-A407 HydrophobicContact CB-CB 4.01Å; V327-A407 HydrophobicContact CG2-CB 3.75Å; V327-M412 HydrophobicContact CG2-CB 4.09Å; V327-M412 HydrophobicContact CG2-CE 3.55Å; V327-M412 HydrophobicContact CG2-SD 3.89Å; V327-I413 PolarHBondContact N-O 3.33Å; V327-M415 PolarHBondContact O-N 2.87Å
328M92.6Very high90.1Very high0 Ų023.8 Ų23.80%015%0.15CC..PPolyproline II helixtrans-70.9166.2178.5-70.2-63.6165.900112R127 F128 E318 I322 F330 Q403 M415R127-M328 HydrophobicContact CB-CE 3.39Å; R127-M328 HydrophobicContact CG-CE 3.65Å; F128-M328 HydrophobicContact CE2-CE 4.22Å; F128-M328 HydrophobicContact CZ-CE 4.46Å; E318-M328 HydrophobicContact CB-CB 4.42Å; E318-M328 HydrophobicContact CG-CB 4.23Å; E318-M328 WeakPolarHBondContact OE2-CB 3.42Å; E318-M328 PolarHBondContact OE2-N 3.38Å; I322-M328 HydrophobicContact CD1-CB 4.47Å; I322-M328 HydrophobicContact CD1-CE 4.17Å; I322-M328 HydrophobicContact CD1-CG 3.45Å; I322-M328 VanDerWaalsContact CD1-CG 3.45Å; I322-M328 HydrophobicContact CG1-CB 4.39Å; I322-M328 HydrophobicContact CG1-CG 3.67Å; I322-M328 HydrophobicContact CG2-CE 4.5Å; M328-F330 WeakPolarHBondContact O-CD1 3.43Å; M328-F330 PolarHBondContact O-N 3.21Å; M328-Q403 PolarHBondContact O-NE2 3.37Å; M328-M415 HydrophobicContact CE-CE 4.45Å; M328-M415 HydrophobicContact CE-CG 4.24Å; M328-M415 HydrophobicContact SD-CB 3.81Å; M328-M415 HydrophobicContact SD-CG 4.07Å
329K91.9Very high90.2Very high44 Ų4424.6 Ų24.619%0.19116%0.157CC..PPolyproline II helixtrans-55.9131.1177.2-178.2178.2173.7174.90110.4E87 M415 W417E87-K329 IonicContact OE1-NZ 3.28Å; E87-K329 PolarHBondContact OE1-NZ 2.92Å; E87-K329 IonicContact OE2-NZ 3.68Å; E87-K329 PolarHBondContact OE2-NZ 3.31Å; K329-M415 PolarHBondContact N-O 3.26Å; K329-W417 WeakPolarHBondContact CB-O 3.41Å; K329-W417 PolarHBondContact N-O 3.19Å
330F94.2Very high90.6Very high6 Ų624.2 Ų24.23%0.02614%0.141CC..PPolyproline II helixtrans-78.2135.9177.5-75.11000112.1V241 P317 E318 V327 M328 K332 F335 A399 V402 Q403 I406V241-F330 HydrophobicContact CG1-CD2 4.06Å; V241-F330 HydrophobicContact CG1-CE2 3.44Å; V241-F330 VanDerWaalsContact CG1-CE2 3.44Å; V241-F330 HydrophobicContact CG1-CZ 4.03Å; P317-F330 HydrophobicContact CB-CB 3.99Å; P317-F330 HydrophobicContact CB-CD1 4.29Å; P317-F330 HydrophobicContact CB-CD2 4.4Å; P317-F330 HydrophobicContact CB-CG 4Å; P317-F330 HydrophobicContact CG-CB 3.99Å; P317-F330 HydrophobicContact CG-CD1 3.58Å; P317-F330 HydrophobicContact CG-CD2 3.54Å; P317-F330 HydrophobicContact CG-CE1 3.79Å; P317-F330 HydrophobicContact CG-CE2 3.75Å; P317-F330 HydrophobicContact CG-CG 3.43Å; P317-F330 VanDerWaalsContact CG-CG 3.43Å; P317-F330 HydrophobicContact CG-CZ 3.86Å; E318-F330 HydrophobicContact CG-CD1 3.83Å; E318-F330 HydrophobicContact CG-CE1 3.62Å; V327-F330 HydrophobicContact CG1-CD1 4.27Å; V327-F330 HydrophobicContact CG1-CE1 3.36Å; V327-F330 HydrophobicContact CG1-CZ 3.81Å; M328-F330 WeakPolarHBondContact O-CD1 3.43Å; M328-F330 PolarHBondContact O-N 3.21Å; F330-K332 PolarHBondContact O-N 3.26Å; F330-F335 HydrophobicContact CB-CE2 4.03Å; F330-F335 HydrophobicContact CB-CZ 4.42Å; F330-F335 HydrophobicContact CD2-CE2 4.15Å; F330-F335 AromaticContact CD2-CZ 3.72Å; F330-F335 HydrophobicContact CD2-CZ 3.72Å; F330-F335 HydrophobicContact CE2-CZ 4.47Å; F330-A399 HydrophobicContact CB-CB 4.17Å; F330-V402 HydrophobicContact CE2-CG1 4.1Å; F330-Q403 HydrophobicContact CB-CB 4.49Å; F330-Q403 HydrophobicContact CD1-CB 4.11Å; F330-Q403 HydrophobicContact CD1-CG 3.94Å; F330-Q403 HydrophobicContact CD2-CB 3.66Å; F330-Q403 HydrophobicContact CD2-CG 4.39Å; F330-Q403 HydrophobicContact CE1-CB 4.3Å; F330-Q403 HydrophobicContact CE1-CG 4.04Å; F330-Q403 VanDerWaalsContact CE2-CA 3.5Å; F330-Q403 HydrophobicContact CE2-CB 3.88Å; F330-Q403 HydrophobicContact CE2-CG 4.49Å; F330-Q403 HydrophobicContact CG-CB 3.82Å; F330-Q403 HydrophobicContact CG-CG 4.15Å; F330-Q403 HydrophobicContact CZ-CB 4.21Å; F330-Q403 HydrophobicContact CZ-CG 4.33Å; F330-I406 HydrophobicContact CE2-CD1 3.85Å; F330-I406 HydrophobicContact CZ-CD1 3.84Å
331K88.4Confident91Very high72 Ų7223.4 Ų23.431%0.31314%0.136SC..PPolyproline II helixtrans-69.6127.3171.1-67.6-175.5175.7-162.50110.2P317 G333 E420P317-K331 WeakPolarHBondContact O-CB 3.24Å; P317-K331 VanDerWaalsContact O-CG 3.31Å; P317-K331 WeakPolarHBondContact O-CG 3.06Å; P317-K331 PolarHBondContact O-N 2.76Å; K331-G333 VanDerWaalsContact C-N 3.27Å; K331-G333 PolarHBondContact O-N 3.33Å; K331-E420 IonicContact NZ-OE1 3.12Å; K331-E420 PolarHBondContact NZ-OE1 3.15Å
332K84Confident91.3Very high78 Ų7823 Ų2334%0.33913%0.133SC..G310 helixtrans-65.3-17.8-174.269.5173.5-171.4138.50116F330 C334 F335 E336 I396F330-K332 PolarHBondContact O-N 3.26Å; K332-C334 PolarHBondContact O-N 2.86Å; K332-F335 WeakPolarHBondContact O-CA 3.08Å; K332-F335 WeakPolarHBondContact O-CB 3.27Å; K332-F335 PolarHBondContact O-N 2.9Å; K332-E336 WeakPolarHBondContact CD-OE1 3.38Å; K332-E336 VanDerWaalsContact CE-OE1 3.27Å; K332-E336 WeakPolarHBondContact CE-OE1 3.26Å; K332-E336 IonicContact NZ-OE1 2.79Å; K332-E336 PolarHBondContact NZ-OE1 3.43Å; K332-E336 PolarHBondContact O-N 2.97Å; K332-I396 HydrophobicContact CB-CG1 4.39Å; K332-I396 HydrophobicContact CD-CD1 4.37Å; K332-I396 HydrophobicContact CD-CG1 3.91Å
333G85Confident91.6Very high23 Ų2323 Ų2324%0.23713%0.134CC..G310 helixtrans-59-39.1-167.400000114.9K331 F335 E336K331-G333 VanDerWaalsContact C-N 3.27Å; K331-G333 PolarHBondContact O-N 3.33Å; G333-F335 VanDerWaalsContact C-N 3.29Å; G333-F335 PolarHBondContact O-N 3.46Å; G333-E336 PolarHBondContact O-N 2.65Å
334C87.2Confident91.9Very high10 Ų1022.4 Ų22.47%0.06813%0.13CC..G310 helixtrans-73.5-20.9176.761.20000113.6L301 I315 K332 E336 V337L301-C334 HydrophobicContact CD1-CB 4.35Å; I315-C334 HydrophobicContact CD1-CB 3.5Å; I315-C334 HydrophobicContact CG2-CB 4.23Å; K332-C334 PolarHBondContact O-N 2.86Å; C334-E336 VanDerWaalsContact C-N 3.33Å; C334-V337 WeakPolarHBondContact O-CG2 3.47Å
335F91.7Very high92.2Very high5 Ų522.1 Ų22.12%0.02213%0.129CC..G310 helixtrans-83-10.1178.6-60.4-87.3000112.9V241 P317 F330 K332 G333 I341 F398 A399 V402V241-F335 HydrophobicContact CG1-CZ 4.19Å; V241-F335 HydrophobicContact CG2-CE1 4.49Å; V241-F335 HydrophobicContact CG2-CZ 4.16Å; P317-F335 HydrophobicContact CB-CE2 4.21Å; P317-F335 HydrophobicContact CG-CE2 4.47Å; F330-F335 HydrophobicContact CB-CE2 4.03Å; F330-F335 HydrophobicContact CB-CZ 4.42Å; F330-F335 HydrophobicContact CD2-CE2 4.15Å; F330-F335 AromaticContact CD2-CZ 3.72Å; F330-F335 HydrophobicContact CD2-CZ 3.72Å; F330-F335 HydrophobicContact CE2-CZ 4.47Å; K332-F335 WeakPolarHBondContact O-CA 3.08Å; K332-F335 WeakPolarHBondContact O-CB 3.27Å; K332-F335 PolarHBondContact O-N 2.9Å; G333-F335 VanDerWaalsContact C-N 3.29Å; G333-F335 PolarHBondContact O-N 3.46Å; F335-I341 HydrophobicContact CD1-CD1 4.25Å; F335-I341 HydrophobicContact CD1-CG1 4.21Å; F335-I341 HydrophobicContact CE1-CD1 4.3Å; F335-I341 HydrophobicContact CE1-CG1 4.3Å; F335-I341 HydrophobicContact CE1-CG2 4.33Å; F335-F398 HydrophobicContact CB-CD1 4.01Å; F335-F398 AromaticContact CD1-CD1 3.63Å; F335-F398 HydrophobicContact CD1-CD1 3.63Å; F335-F398 AromaticContact CD1-CE1 3.75Å; F335-F398 HydrophobicContact CD1-CE1 3.75Å; F335-F398 HydrophobicContact CD1-CG 4.15Å; F335-F398 HydrophobicContact CD1-CZ 4.35Å; F335-F398 HydrophobicContact CG-CD1 4.29Å; F335-A399 HydrophobicContact CD1-CB 4.24Å; F335-A399 HydrophobicContact CD2-CB 3.49Å; F335-A399 VanDerWaalsContact CD2-CB 3.49Å; F335-A399 HydrophobicContact CE1-CB 4.35Å; F335-A399 HydrophobicContact CE2-CB 3.62Å; F335-A399 HydrophobicContact CG-CB 3.82Å; F335-A399 HydrophobicContact CZ-CB 4.06Å; F335-V402 HydrophobicContact CE1-CB 3.86Å; F335-V402 HydrophobicContact CE1-CG1 4.06Å; F335-V402 HydrophobicContact CE1-CG2 3.89Å; F335-V402 HydrophobicContact CZ-CB 4.29Å; F335-V402 HydrophobicContact CZ-CG1 4.29Å
336E89.1Confident92.6Very high79 Ų7921.9 Ų21.937%0.36913%0.127SC..G310 helixtrans-88-6.2176-70.1173.7168.200112.9K332 G333 C334 G338 S395K332-E336 WeakPolarHBondContact CD-OE1 3.38Å; K332-E336 VanDerWaalsContact CE-OE1 3.27Å; K332-E336 WeakPolarHBondContact CE-OE1 3.26Å; K332-E336 IonicContact NZ-OE1 2.79Å; K332-E336 PolarHBondContact NZ-OE1 3.43Å; K332-E336 PolarHBondContact O-N 2.97Å; G333-E336 PolarHBondContact O-N 2.65Å; C334-E336 VanDerWaalsContact C-N 3.33Å; E336-G338 VanDerWaalsContact C-N 3.34Å; E336-G338 PolarHBondContact O-N 3.44Å; E336-S395 WeakPolarHBondContact CG-OG 3.18Å
337V88.9Confident92.9Very high13 Ų1322.5 Ų22.58%0.07913%0.129CC..SBendtrans-71.6-28.4-175.81790000112.5I239 L301 K302 C334 A339I239-V337 HydrophobicContact CD1-CB 3.97Å; I239-V337 HydrophobicContact CD1-CG1 4.07Å; I239-V337 HydrophobicContact CD1-CG2 4.11Å; L301-V337 HydrophobicContact CB-CG1 4.39Å; L301-V337 HydrophobicContact CB-CG2 3.74Å; L301-V337 HydrophobicContact CD1-CG2 3.99Å; K302-V337 HydrophobicContact CB-CG1 3.93Å; K302-V337 HydrophobicContact CG-CG1 4.38Å; C334-V337 WeakPolarHBondContact O-CG2 3.47Å; V337-A339 VanDerWaalsContact C-N 3.3Å; V337-A339 HydrophobicContact CG1-CB 4.16Å
338G87.8Confident93Very high62 Ų6222.8 Ų22.864%0.63913%0.131SC*.  trans80.93.5-175.600000114.9E336E336-G338 VanDerWaalsContact C-N 3.34Å; E336-G338 PolarHBondContact O-N 3.44Å
339A92.7Very high92.9Very high19 Ų1923.7 Ų23.716%0.15714%0.135CC..PPolyproline II helixtrans-74.3157.8172.200000111.4I239 A305 V337I239-A339 HydrophobicContact CD1-CB 3.89Å; I239-A339 HydrophobicContact CG1-CB 3.93Å; A305-A339 HydrophobicContact CB-CB 4.3Å; V337-A339 VanDerWaalsContact C-N 3.3Å; V337-A339 HydrophobicContact CG1-CB 4.16Å
340E96.4Very high92.7Very high43 Ų4323.1 Ų23.120%0.20114%0.136CC..PPolyproline II helixtrans-65.5135.1171.3-166160.194.500110.5T238 I239 H342 P386 R388T238-E340 WeakPolarHBondContact CB-O 3.42Å; T238-E340 HydrophobicContact CG2-CB 4.05Å; I239-E340 PolarHBondContact N-O 3.05Å; E340-H342 IonicContact OE1-NE2 2.74Å; E340-P386 HydrophobicContact CG-CB 3.87Å; E340-R388 HydrophobicContact CB-CG 4.39Å; E340-R388 HydrophobicContact CG-CG 4.15Å; E340-R388 IonicContact OE2-CZ 3.77Å; E340-R388 VanDerWaalsContact OE2-CZ 3.28Å; E340-R388 IonicContact OE2-NE 3.94Å; E340-R388 PolarHBondContact OE2-NE 2.92Å; E340-R388 IonicContact OE2-NH2 3.66Å; E340-R388 PolarHBondContact OE2-NH2 3.15Å
341I98.1Very high92.3Very high1 Ų123.7 Ų23.71%0.00514%0.139CC..EExtended strand (participates in β ladder)trans-100.6125.4178.5-59.9-72.3000108.3I239 V241 F335 P343 P386 T387 F398 V402I239-I341 HydrophobicContact CB-CD1 3.83Å; I239-I341 HydrophobicContact CD1-CD1 4.5Å; I239-I341 HydrophobicContact CG2-CD1 3.88Å; I239-I341 CarbonylContact O-C 3.59Å; I239-I341 WeakPolarHBondContact O-CA 3.07Å; V241-I341 HydrophobicContact CB-CG2 3.98Å; V241-I341 HydrophobicContact CG2-CD1 4.03Å; V241-I341 HydrophobicContact CG2-CG2 3.81Å; F335-I341 HydrophobicContact CD1-CD1 4.25Å; F335-I341 HydrophobicContact CD1-CG1 4.21Å; F335-I341 HydrophobicContact CE1-CD1 4.3Å; F335-I341 HydrophobicContact CE1-CG1 4.3Å; F335-I341 HydrophobicContact CE1-CG2 4.33Å; I341-P343 HydrophobicContact CG2-CG 4.47Å; I341-P343 WeakPolarHBondContact O-CD 3.44Å; I341-P386 CarbonylContact O-C 3.33Å; I341-P386 WeakPolarHBondContact O-CA 3.36Å; I341-T387 HydrophobicContact CB-CG2 4.34Å; I341-T387 PolarHBondContact N-O 3.3Å; I341-T387 PolarHBondContact O-N 2.83Å; I341-F398 HydrophobicContact CB-CZ 3.96Å; I341-F398 HydrophobicContact CG1-CE1 3.7Å; I341-F398 HydrophobicContact CG1-CZ 3.6Å; I341-V402 HydrophobicContact CG2-CG1 4.08Å; I341-V402 HydrophobicContact CG2-CG2 4.35Å
342H98.6Very high92.4Very high1 Ų120.4 Ų20.41%0.00513%0.125CC..EExtended strand (participates in β ladder)trans-100.4104.3166.4-76-110.7000108.6N232 R233 P234 T238 I239 C240 V241 E340N232-H342 PolarHBondContact O-ND1 2.78Å; R233-H342 PolarHBondContact O-CE1 3.27Å; R233-H342 PolarHBondContact O-ND1 3.23Å; P234-H342 WeakPolarHBondContact CA-ND1 3.04Å; P234-H342 HydrophobicContact CB-CB 4.15Å; P234-H342 HydrophobicContact CG-CB 3.84Å; T238-H342 PolarHBondContact OG1-CD2 2.89Å; T238-H342 VanDerWaalsContact OG1-CD2 3.3Å; I239-H342 PolarHBondContact O-N 2.98Å; C240-H342 WeakPolarHBondContact CA-O 3.23Å; V241-H342 PolarHBondContact N-O 3.19Å; E340-H342 IonicContact OE1-NE2 2.74Å
343P98.8Very high92.8Very high2 Ų216.7 Ų16.71%0.01311%0.109CC..EExtended strand (participates in β ladder)trans-74142.6176.7-7.525000110.5V241 I341 L384 P385 T387 V402 I406V241-P343 CarbonylContact O-C 3.54Å; V241-P343 WeakPolarHBondContact O-CA 3.42Å; I341-P343 HydrophobicContact CG2-CG 4.47Å; I341-P343 WeakPolarHBondContact O-CD 3.44Å; P343-L384 HydrophobicContact CB-CB 3.96Å; P343-L384 HydrophobicContact CB-CD2 4.26Å; P343-L384 HydrophobicContact CG-CB 4.18Å; P343-L384 WeakPolarHBondContact O-CB 3.46Å; P343-L384 PolarHBondContact O-N 3.41Å; P343-P385 WeakPolarHBondContact CD-O 3.15Å; P343-T387 HydrophobicContact CG-CG2 4.04Å; P343-V402 HydrophobicContact CB-CG1 3.92Å; P343-V402 HydrophobicContact CG-CG1 4.03Å; P343-I406 HydrophobicContact CB-CD1 3.84Å; P343-I406 HydrophobicContact CB-CG1 3.71Å
344V98.8Very high93Very high0 Ų017.6 Ų17.60%011%0.108CC..EExtended strand (participates in β ladder)trans-135.5127.1178.1-179.90000109.6C240 V241 A242 L253 I346 V381 W382 Y383C240-V344 WeakPolarHBondContact SG-CG2 3.02Å; V241-V344 PolarHBondContact O-N 3.32Å; A242-V344 VanDerWaalsContact CA-O 3.29Å; A242-V344 WeakPolarHBondContact CA-O 3.38Å; A242-V344 HydrophobicContact CB-CB 4.06Å; L253-V344 HydrophobicContact CD1-CG1 4.43Å; L253-V344 HydrophobicContact CD2-CG1 3.79Å; V344-I346 HydrophobicContact CG1-CG1 4.35Å; V344-V381 HydrophobicContact CG1-CG1 3.58Å; V344-W382 WeakPolarHBondContact CA-O 3.36Å; V344-Y383 HydrophobicContact CG1-CD1 4.35Å; V344-Y383 HydrophobicContact CG1-CE1 4.4Å; V344-Y383 HydrophobicContact CG2-CD1 3.66Å; V344-Y383 HydrophobicContact CG2-CE1 4.07Å
345A98.7Very high93.4Very high0 Ų017.3 Ų17.30%011%0.107CC..EExtended strand (participates in β ladder)trans-97.4128.417200000110.2V381 W382 L384 I406 C409A345-V381 CarbonylContact O-C 3.52Å; A345-V381 VanDerWaalsContact O-CA 3.32Å; A345-V381 WeakPolarHBondContact O-CA 3.4Å; A345-W382 HydrophobicContact CB-CB 4.42Å; A345-W382 HydrophobicContact CB-CE3 4.42Å; A345-W382 PolarHBondContact N-O 3.36Å; A345-W382 PolarHBondContact O-N 3.47Å; A345-L384 HydrophobicContact CB-CD1 4.14Å; A345-I406 HydrophobicContact CB-CG2 4.06Å; A345-C409 HydrophobicContact CB-CB 4.2Å
346I98.5Very high93.5Very high0 Ų017.6 Ų17.60%011%0.108CC..EExtended strand (participates in β ladder)trans-114.3114.1176-51.9178.1000107.9A242 N243 D249 L253 F316 N324 V344 Y348 V379A242-I346 HydrophobicContact CB-CD1 3.97Å; A242-I346 HydrophobicContact CB-CG1 4.33Å; N243-I346 PolarHBondContact ND2-O 2.67Å; N243-I346 PolarHBondContact OD1-N 2.79Å; D249-I346 HydrophobicContact CB-CD1 4.02Å; L253-I346 HydrophobicContact CD1-CD1 3.97Å; L253-I346 HydrophobicContact CD2-CD1 4.11Å; L253-I346 HydrophobicContact CD2-CG1 4.26Å; L253-I346 HydrophobicContact CG-CD1 4.01Å; F316-I346 HydrophobicContact CE1-CD1 4.29Å; N324-I346 PolarHBondContact ND2-O 3.23Å; V344-I346 HydrophobicContact CG1-CG1 4.35Å; I346-Y348 HydrophobicContact CG2-CD2 4.15Å; I346-Y348 HydrophobicContact CG2-CE2 3.55Å; I346-V379 HydrophobicContact CG2-CG2 3.51Å
347R96.2Very high93.8Very high14 Ų1415.4 Ų15.45%0.05310%0.096CC..EExtended strand (participates in β ladder)trans-117.1118.5176.5-16858155.8131-3.4109.9N324 V379 D380 W382 G410 G411N324-R347 PolarHBondContact O-NH1 3.06Å; N324-R347 WeakPolarHBondContact OD1-CA 3.22Å; N324-R347 VanDerWaalsContact OD1-CD 3.29Å; N324-R347 WeakPolarHBondContact OD1-CD 3.17Å; R347-V379 WeakPolarHBondContact O-CA 3.49Å; R347-V379 WeakPolarHBondContact O-CG2 3.39Å; R347-D380 PolarHBondContact N-O 3.31Å; R347-D380 PolarHBondContact O-N 2.76Å; R347-W382 HydrophobicContact CB-CH2 4.1Å; R347-W382 HydrophobicContact CB-CZ3 3.58Å; R347-G410 WeakPolarHBondContact CD-O 3.45Å; R347-G410 PolarHBondContact NE-O 2.85Å; R347-G411 PolarHBondContact NH2-O 2.88Å
348Y94.5Very high93.9Very high7 Ų715.9 Ų15.93%0.02710%0.098CC..EExtended strand (participates in β ladder)trans-89.7139.3173.4-70.8-83.5000110T245 T246 D249 N324 I346 P350 C355 I377 V379T245-Y348 HydrophobicContact CG2-CD2 3.82Å; T245-Y348 HydrophobicContact CG2-CE2 4.02Å; T246-Y348 HydrophobicContact CG2-CE1 4.45Å; T246-Y348 HydrophobicContact CG2-CE2 4.04Å; T246-Y348 WeakPolarHBondContact CG2-OH 3.47Å; D249-Y348 WeakPolarHBondContact OD1-CE2 3.31Å; D249-Y348 VanDerWaalsContact OD1-CZ 3.26Å; D249-Y348 PolarHBondContact OD1-OH 3.33Å; N324-Y348 PolarHBondContact OD1-N 3Å; I346-Y348 HydrophobicContact CG2-CD2 4.15Å; I346-Y348 HydrophobicContact CG2-CE2 3.55Å; Y348-P350 VanDerWaalsContact O-CD 3.31Å; Y348-P350 WeakPolarHBondContact O-CD 3.16Å; Y348-C355 HydrophobicContact CD1-CB 3.63Å; Y348-C355 WeakPolarHBondContact CD1-SG 3.44Å; Y348-C355 HydrophobicContact CD2-CB 4.19Å; Y348-C355 HydrophobicContact CE1-CB 4.06Å; Y348-C355 HydrophobicContact CG-CB 3.7Å; Y348-I377 HydrophobicContact CD1-CG2 3.9Å; Y348-I377 HydrophobicContact CE1-CG2 3.62Å; Y348-V379 HydrophobicContact CD1-CB 3.68Å; Y348-V379 HydrophobicContact CD1-CG2 3.86Å; Y348-V379 HydrophobicContact CD2-CG2 4.46Å; Y348-V379 HydrophobicContact CE1-CB 3.7Å; Y348-V379 HydrophobicContact CE1-CG1 4.26Å; Y348-V379 HydrophobicContact CE1-CG2 3.72Å; Y348-V379 HydrophobicContact CE2-CG2 4.34Å; Y348-V379 HydrophobicContact CG-CB 4.41Å; Y348-V379 HydrophobicContact CG-CG2 4.24Å
349N90.8Very high93.9Very high18 Ų1815 Ų1510%0.0968%0.083CC..  trans-84110.1167.7-174.1-24.5000109.2L351 F352 M378N349-L351 PolarHBondContact O-N 2.93Å; N349-L351 VanDerWaalsContact O-N 3.16Å; N349-L351 WeakPolarHBondContact OD1-CB 3.34Å; N349-L351 PolarHBondContact OD1-N 3.27Å; N349-F352 HydrophobicContact CB-CD2 4.37Å; N349-M378 HydrophobicContact CB-CB 4.18Å; N349-M378 HydrophobicContact CB-CE 4.18Å; N349-M378 HydrophobicContact CB-CG 4.42Å; N349-M378 HydrophobicContact CB-SD 3.67Å; N349-M378 PolarHBondContact N-O 3.15Å
350P87.7Confident93.6Very high32 Ų3218 Ų1821%0.20810%0.102CC..THydrogen-bonded Turntrans-70.9-12.3-173.932.9-37.7000112.8L133 Y348 F352L133-P350 WeakPolarHBondContact CD1-O 3.4Å; L133-P350 HydrophobicContact CD2-CB 3.77Å; L133-P350 HydrophobicContact CD2-CG 3.81Å; Y348-P350 VanDerWaalsContact O-CD 3.31Å; Y348-P350 WeakPolarHBondContact O-CD 3.16Å; P350-F352 VanDerWaalsContact C-N 3.27Å; P350-F352 PolarHBondContact O-N 2.56Å
351L86.4Confident93.2Very high18 Ų1821.8 Ų21.89%0.09412%0.123CC..THydrogen-bonded Turntrans-61.4-32.2-177.7-177.760.7000112.9F46 V135 N137 N349F46-L351 HydrophobicContact CD2-CD1 3.92Å; F46-L351 HydrophobicContact CD2-CD2 4.05Å; F46-L351 HydrophobicContact CD2-CG 3.78Å; F46-L351 HydrophobicContact CE2-CG 4.16Å; V135-L351 HydrophobicContact CB-CD1 3.97Å; V135-L351 HydrophobicContact CG1-CD1 3.53Å; N137-L351 HydrophobicContact CB-CD1 4.28Å; N137-L351 PolarHBondContact ND2-O 3.4Å; N349-L351 PolarHBondContact O-N 2.93Å; N349-L351 VanDerWaalsContact O-N 3.16Å; N349-L351 WeakPolarHBondContact OD1-CB 3.34Å; N349-L351 PolarHBondContact OD1-N 3.27Å
352F90.4Very high92.8Very high4 Ų422.7 Ų22.72%0.01813%0.128CC..THydrogen-bonded Turntrans-99.8-29.6-175-58.9-78.9000113.2I39 L42 F46 N349 P350 W375 A376 M378I39-F352 HydrophobicContact CD1-CD1 3.8Å; I39-F352 HydrophobicContact CD1-CD2 4.45Å; I39-F352 HydrophobicContact CD1-CE1 3.94Å; I39-F352 HydrophobicContact CD1-CG 4.09Å; I39-F352 HydrophobicContact CD1-CZ 4.33Å; I39-F352 HydrophobicContact CG2-CE1 4.08Å; I39-F352 HydrophobicContact CG2-CE2 4.21Å; I39-F352 HydrophobicContact CG2-CZ 3.69Å; L42-F352 HydrophobicContact CB-CD1 4.36Å; L42-F352 HydrophobicContact CB-CE1 3.87Å; L42-F352 HydrophobicContact CD1-CD1 3.96Å; L42-F352 HydrophobicContact CD1-CE1 4.24Å; F46-F352 HydrophobicContact CD2-CE1 4.26Å; F46-F352 AromaticContact CE2-CD1 3.74Å; F46-F352 HydrophobicContact CE2-CD1 3.74Å; F46-F352 AromaticContact CE2-CE1 3.74Å; F46-F352 HydrophobicContact CE2-CE1 3.74Å; N349-F352 HydrophobicContact CB-CD2 4.37Å; P350-F352 VanDerWaalsContact C-N 3.27Å; P350-F352 PolarHBondContact O-N 2.56Å; F352-W375 HydrophobicContact CB-CB 4.37Å; F352-W375 WeakPolarHBondContact O-CB 3.36Å; F352-W375 PolarHBondContact O-N 2.93Å; F352-A376 CarbonylContact C-O 3.51Å; F352-A376 HydrophobicContact CB-CB 4.31Å; F352-A376 WeakPolarHBondContact CB-O 3.43Å; F352-M378 HydrophobicContact CD2-CB 3.83Å; F352-M378 HydrophobicContact CD2-CG 4.38Å; F352-M378 HydrophobicContact CE2-CB 4.4Å; F352-M378 HydrophobicContact CE2-CG 4.47Å
353A91.6Very high92.5Very high0 Ų025.3 Ų25.30%015%0.147CC..  trans-157.9144.4176.700000110.5C355 A376A353-C355 PolarHBondContact O-N 3.03Å; A353-A376 VanDerWaalsContact CB-O 3.28Å; A353-A376 WeakPolarHBondContact CB-O 3.46Å
354D90.2Very high92.2Very high41 Ų4125.9 Ų25.922%0.21915%0.149CC..  trans-78.2101.3162.4-178.913.1000108.9A130 F356 I371A130-D354 WeakPolarHBondContact CB-OD2 3.27Å; D354-F356 VanDerWaalsContact C-N 3.28Å; D354-F356 WeakPolarHBondContact OD1-CB 3.34Å; D354-F356 PolarHBondContact OD1-N 2.83Å; D354-F356 VanDerWaalsContact OD1-N 3.13Å; D354-I371 VanDerWaalsContact O-CD1 3.32Å; D354-I371 WeakPolarHBondContact O-CD1 3.24Å
355C94.6Very high91.9Very high5 Ų529.5 Ų29.53%0.03417%0.165CC..  trans-84.1-4.1-177.7-62.80000112.2T245 T246 Y348 A353 W357 Y367T245-C355 HydrophobicContact CG2-CB 4.32Å; T246-C355 WeakPolarHBondContact CB-O 3.34Å; Y348-C355 HydrophobicContact CD1-CB 3.63Å; Y348-C355 WeakPolarHBondContact CD1-SG 3.44Å; Y348-C355 HydrophobicContact CD2-CB 4.19Å; Y348-C355 HydrophobicContact CE1-CB 4.06Å; Y348-C355 HydrophobicContact CG-CB 3.7Å; A353-C355 PolarHBondContact O-N 3.03Å; C355-W357 PolarHBondContact O-N 3.38Å; C355-Y367 PolarHBondContact O-OH 3.43Å
356F94.7Very high91.7Very high11 Ų1134.1 Ų34.15%0.04819%0.187CC..  trans-67.7122.2178.4173.4-128.2000111.8F128 C321 N323 D354 N358F128-F356 VanDerWaalsContact C-CE1 3.43Å; F128-F356 HydrophobicContact CB-CZ 4.42Å; F128-F356 WeakPolarHBondContact O-CE1 3.48Å; F128-F356 VanDerWaalsContact O-CZ 3.26Å; F128-F356 WeakPolarHBondContact O-CZ 3.36Å; C321-F356 HydrophobicContact CB-CE2 4.36Å; C321-F356 WeakPolarHBondContact O-CE2 3.33Å; N323-F356 HydrophobicContact CB-CB 4.15Å; N323-F356 HydrophobicContact CB-CD1 4.19Å; N323-F356 HydrophobicContact CB-CD2 4.15Å; N323-F356 HydrophobicContact CB-CG 3.88Å; D354-F356 VanDerWaalsContact C-N 3.28Å; D354-F356 WeakPolarHBondContact OD1-CB 3.34Å; D354-F356 PolarHBondContact OD1-N 2.83Å; D354-F356 VanDerWaalsContact OD1-N 3.13Å; F356-N358 HydrophobicContact CD1-CB 4.47Å; F356-N358 HydrophobicContact CE1-CB 3.75Å; F356-N358 HydrophobicContact CZ-CB 4.02Å
357W94.6Very high91.6Very high32 Ų3234.2 Ų34.212%0.12119%0.187CC..  trans-91.8108.8172.1-177.743.2000112.1T245 P247 F270 C355 S359 D362 Y367T245-W357 PolarHBondContact O-N 3.31Å; P247-W357 HydrophobicContact CB-CE3 4.23Å; P247-W357 HydrophobicContact CB-CZ3 4.29Å; P247-W357 VanDerWaalsContact CD-CB 3.49Å; P247-W357 VanDerWaalsContact CD-CE3 3.4Å; P247-W357 HydrophobicContact CG-CD2 3.89Å; P247-W357 HydrophobicContact CG-CE3 3.79Å; P247-W357 HydrophobicContact CG-CG 4.24Å; P247-W357 HydrophobicContact CG-CZ3 4.23Å; F270-W357 AromaticContact CD2-CH2 3.71Å; F270-W357 HydrophobicContact CD2-CH2 3.71Å; F270-W357 HydrophobicContact CD2-CZ2 4.33Å; F270-W357 HydrophobicContact CD2-CZ3 4.48Å; F270-W357 AromaticContact CE2-CH2 3.37Å; F270-W357 HydrophobicContact CE2-CH2 3.37Å; F270-W357 HydrophobicContact CE2-CZ2 4.25Å; F270-W357 AromaticContact CE2-CZ3 3.69Å; F270-W357 HydrophobicContact CE2-CZ3 3.69Å; F270-W357 HydrophobicContact CZ-CH2 4.5Å; C355-W357 PolarHBondContact O-N 3.38Å; W357-S359 PolarHBondContact O-N 3.46Å; W357-D362 PolarHBondContact NE1-O 2.64Å; W357-Y367 HydrophobicContact CB-CD1 4.41Å; W357-Y367 HydrophobicContact CB-CD2 4.08Å; W357-Y367 HydrophobicContact CB-CE1 4.21Å; W357-Y367 HydrophobicContact CB-CE2 3.86Å; W357-Y367 HydrophobicContact CB-CG 4.35Å; W357-Y367 AromaticContact CD1-CD1 3.97Å; W357-Y367 AromaticContact CD1-CD2 3.53Å; W357-Y367 AromaticContact CD1-CG 3.39Å; W357-Y367 HydrophobicContact CG-CD1 4.22Å; W357-Y367 HydrophobicContact CG-CD2 4.11Å; W357-Y367 HydrophobicContact CG-CE1 4.48Å; W357-Y367 HydrophobicContact CG-CE2 4.38Å; W357-Y367 HydrophobicContact CG-CG 4.02Å
358N91.2Very high91.6Very high23 Ų2333.7 Ų33.712%0.12319%0.185CC..  trans-90.493.5169-164.6-9.8000111.3F356 S360 L361 D362 K422F356-N358 HydrophobicContact CD1-CB 4.47Å; F356-N358 HydrophobicContact CE1-CB 3.75Å; F356-N358 HydrophobicContact CZ-CB 4.02Å; N358-S360 PolarHBondContact O-N 3.16Å; N358-S360 PolarHBondContact OD1-N 3.1Å; N358-L361 HydrophobicContact CB-CB 4.42Å; N358-L361 HydrophobicContact CB-CD1 4.29Å; N358-L361 HydrophobicContact CB-CG 4.39Å; N358-L361 WeakPolarHBondContact ND2-CD1 3.3Å; N358-L361 PolarHBondContact O-N 3.09Å; N358-D362 PolarHBondContact O-N 2.65Å; N358-K422 PolarHBondContact OD1-NZ 3.38Å
359S87.4Confident91.6Very high45 Ų4535.9 Ų35.932%0.31520%0.197SC..THydrogen-bonded Turntrans-59.7-16-179.678.30000114.8W357 R423W357-S359 PolarHBondContact O-N 3.46Å; S359-R423 PolarHBondContact OG-NH2 2.9Å; S359-R423 VanDerWaalsContact OG-NH2 3.12Å
360S87Confident91.8Very high81 Ų8139.8 Ų39.857%0.56621%0.213SC*.THydrogen-bonded Turntrans-80.8-19.7176.3-58.60000112.6N358N358-S360 PolarHBondContact O-N 3.16Å; N358-S360 PolarHBondContact OD1-N 3.1Å
361L87.7Confident92.2Very high122 Ų12238.3 Ų38.364%0.63920%0.204SC*.THydrogen-bonded Turntrans-107.5-35.6-178.7-61.5179.5000112N358N358-L361 HydrophobicContact CB-CB 4.42Å; N358-L361 HydrophobicContact CB-CD1 4.29Å; N358-L361 HydrophobicContact CB-CG 4.39Å; N358-L361 WeakPolarHBondContact ND2-CD1 3.3Å; N358-L361 PolarHBondContact O-N 3.09Å
362D89.7Confident92.7Very high20 Ų2037.5 Ų37.511%0.10720%0.2CC..  trans-125.9129.9-172.4-61.9-48.6000112.6W357 N358 Q366 K370W357-D362 PolarHBondContact NE1-O 2.64Å; N358-D362 PolarHBondContact O-N 2.65Å; D362-Q366 HydrophobicContact CB-CB 4.33Å; D362-K370 WeakPolarHBondContact OD1-CE 3.41Å; D362-K370 IonicContact OD1-NZ 2.68Å; D362-K370 PolarHBondContact OD1-NZ 3.39Å; D362-K370 WeakPolarHBondContact OD2-CE 3.31Å; D362-K370 IonicContact OD2-NZ 4Å; D362-K370 PolarHBondContact OD2-NZ 3.32Å
363S92.3Very high92.9Very high57 Ų5738 Ų3840%0.39920%0.203SC..  trans-63.7160.915865.70000110.9F365 Q366 Y367S363-F365 PolarHBondContact O-N 3.03Å; S363-Q366 PolarHBondContact O-N 3.03Å; S363-Q366 WeakPolarHBondContact OG-CG 3.34Å; S363-Q366 PolarHBondContact OG-N 3.07Å; S363-Q366 PolarHBondContact OG-OE1 3.17Å; S363-Y367 WeakPolarHBondContact O-CB 3.33Å; S363-Y367 PolarHBondContact O-N 3.45Å
364L92.6Very high93Very high13 Ų1338.8 Ų38.87%0.06821%0.208CC..Hα-helixtrans-55.3-38.6176.6-179.563.4000112.2P247 F248 F269 F270 A273 S368P247-L364 HydrophobicContact CB-CD1 3.92Å; P247-L364 HydrophobicContact CG-CD1 3.45Å; P247-L364 VanDerWaalsContact CG-CD1 3.45Å; F248-L364 HydrophobicContact CE1-CD1 4.3Å; F248-L364 HydrophobicContact CZ-CD1 4.26Å; F269-L364 HydrophobicContact CD1-CB 4.27Å; F269-L364 HydrophobicContact CD1-CD2 3.96Å; F269-L364 HydrophobicContact CD1-CG 4.11Å; F269-L364 HydrophobicContact CE1-CD2 4.26Å; F269-L364 HydrophobicContact CE1-CG 4.38Å; F270-L364 HydrophobicContact CB-CB 4.5Å; F270-L364 HydrophobicContact CB-CD2 4.22Å; F270-L364 HydrophobicContact CD2-CB 3.82Å; F270-L364 HydrophobicContact CD2-CD1 4.42Å; F270-L364 HydrophobicContact CD2-CD2 3.76Å; F270-L364 HydrophobicContact CD2-CG 4.22Å; F270-L364 HydrophobicContact CE2-CB 4.48Å; F270-L364 HydrophobicContact CE2-CD1 4.3Å; F270-L364 HydrophobicContact CE2-CD2 4.17Å; F270-L364 HydrophobicContact CG-CD2 3.96Å; A273-L364 HydrophobicContact CB-CD2 4.19Å; L364-S368 WeakPolarHBondContact O-CB 3.36Å; L364-S368 PolarHBondContact O-N 2.81Å; L364-S368 PolarHBondContact O-OG 3.05Å
365F93.5Very high93.3Very high76 Ų7637.2 Ų37.233%0.33320%0.2SC..Hα-helixtrans-68.4-46.1179.5-176.6-106.9000112.1F180 F269 S363 Y367 S368 L369F180-F365 HydrophobicContact CZ-CE2 4.32Å; F269-F365 HydrophobicContact CD1-CB 4.08Å; F269-F365 HydrophobicContact CE1-CB 4.5Å; F269-F365 HydrophobicContact CE1-CD2 4.38Å; F269-F365 HydrophobicContact CE2-CD2 4.27Å; F269-F365 HydrophobicContact CG-CB 4.21Å; F269-F365 HydrophobicContact CZ-CD2 4.19Å; S363-F365 PolarHBondContact O-N 3.03Å; F365-Y367 VanDerWaalsContact C-N 3.33Å; F365-Y367 PolarHBondContact O-N 3.27Å; F365-S368 WeakPolarHBondContact O-CB 3.4Å; F365-S368 PolarHBondContact O-N 3.39Å; F365-L369 HydrophobicContact CD1-CD1 4.13Å; F365-L369 HydrophobicContact CE1-CD1 3.61Å; F365-L369 HydrophobicContact CE1-CG 4.3Å; F365-L369 HydrophobicContact CZ-CD1 3.98Å; F365-L369 HydrophobicContact CZ-CD2 4.46Å; F365-L369 HydrophobicContact CZ-CG 4.32Å; F365-L369 PolarHBondContact O-N 3.2Å
366Q94.3Very high93.3Very high97 Ų9737 Ų3745%0.45320%0.198SC..Hα-helixtrans-60.9-44.2175.3-73.7163.6-46.400111.4D362 S363 S368 L369 K370D362-Q366 HydrophobicContact CB-CB 4.33Å; S363-Q366 PolarHBondContact O-N 3.03Å; S363-Q366 WeakPolarHBondContact OG-CG 3.34Å; S363-Q366 PolarHBondContact OG-N 3.07Å; S363-Q366 PolarHBondContact OG-OE1 3.17Å; Q366-S368 VanDerWaalsContact C-N 3.34Å; Q366-S368 PolarHBondContact O-N 3.47Å; Q366-L369 PolarHBondContact O-N 3.45Å; Q366-K370 WeakPolarHBondContact O-CG 3.33Å; Q366-K370 PolarHBondContact O-N 3.02Å
367Y95.5Very high93.3Very high3 Ų336.5 Ų36.51%0.01220%0.196CC..Hα-helixtrans-62-41.7175.5175.6-102.5000111.8T246 P247 F248 C355 W357 S363 F365 L369 K370 I371T246-Y367 VanDerWaalsContact CB-OH 3.24Å; T246-Y367 WeakPolarHBondContact CB-OH 3.43Å; T246-Y367 WeakPolarHBondContact OG1-CE1 3.42Å; T246-Y367 PolarHBondContact OG1-OH 2.88Å; P247-Y367 HydrophobicContact CG-CD1 4.2Å; P247-Y367 HydrophobicContact CG-CE1 4.15Å; F248-Y367 HydrophobicContact CD2-CD1 4.36Å; F248-Y367 AromaticContact CD2-CE1 3.6Å; F248-Y367 HydrophobicContact CD2-CE1 3.6Å; F248-Y367 AromaticContact CE2-CD1 3.74Å; F248-Y367 HydrophobicContact CE2-CD1 3.74Å; F248-Y367 AromaticContact CE2-CE1 3.41Å; F248-Y367 HydrophobicContact CE2-CE1 3.41Å; F248-Y367 VanDerWaalsContact CE2-CE1 3.41Å; F248-Y367 HydrophobicContact CZ-CD1 4.36Å; F248-Y367 HydrophobicContact CZ-CE1 4.39Å; C355-Y367 PolarHBondContact O-OH 3.43Å; W357-Y367 HydrophobicContact CB-CD1 4.41Å; W357-Y367 HydrophobicContact CB-CD2 4.08Å; W357-Y367 HydrophobicContact CB-CE1 4.21Å; W357-Y367 HydrophobicContact CB-CE2 3.86Å; W357-Y367 HydrophobicContact CB-CG 4.35Å; W357-Y367 AromaticContact CD1-CD1 3.97Å; W357-Y367 AromaticContact CD1-CD2 3.53Å; W357-Y367 AromaticContact CD1-CG 3.39Å; W357-Y367 HydrophobicContact CG-CD1 4.22Å; W357-Y367 HydrophobicContact CG-CD2 4.11Å; W357-Y367 HydrophobicContact CG-CE1 4.48Å; W357-Y367 HydrophobicContact CG-CE2 4.38Å; W357-Y367 HydrophobicContact CG-CG 4.02Å; S363-Y367 WeakPolarHBondContact O-CB 3.33Å; S363-Y367 PolarHBondContact O-N 3.45Å; F365-Y367 VanDerWaalsContact C-N 3.33Å; F365-Y367 PolarHBondContact O-N 3.27Å; Y367-L369 VanDerWaalsContact C-N 3.31Å; Y367-L369 PolarHBondContact O-N 3.45Å; Y367-K370 WeakPolarHBondContact O-CB 3.48Å; Y367-K370 PolarHBondContact O-N 3.41Å; Y367-K370 VanDerWaalsContact O-N 3.09Å; Y367-I371 HydrophobicContact CD1-CG1 4.36Å; Y367-I371 HydrophobicContact CD2-CG1 4.43Å; Y367-I371 HydrophobicContact CE1-CD1 4.49Å; Y367-I371 HydrophobicContact CE1-CG1 3.84Å; Y367-I371 HydrophobicContact CE2-CD1 3.85Å; Y367-I371 HydrophobicContact CE2-CG1 3.93Å; Y367-I371 WeakPolarHBondContact O-CG1 3.32Å; Y367-I371 PolarHBondContact O-N 2.95Å
368S96Very high93.3Very high2 Ų235.7 Ų35.71%0.01419%0.194CC..Hα-helixtrans-56.5-45.4174.2-56.20000111.3F248 L364 F365 Q366 I371 M372F248-S368 WeakPolarHBondContact CZ-OG 3.45Å; L364-S368 WeakPolarHBondContact O-CB 3.36Å; L364-S368 PolarHBondContact O-N 2.81Å; L364-S368 PolarHBondContact O-OG 3.05Å; F365-S368 WeakPolarHBondContact O-CB 3.4Å; F365-S368 PolarHBondContact O-N 3.39Å; Q366-S368 VanDerWaalsContact C-N 3.34Å; Q366-S368 PolarHBondContact O-N 3.47Å; S368-I371 PolarHBondContact O-N 3.14Å; S368-M372 WeakPolarHBondContact O-CB 3.48Å; S368-M372 VanDerWaalsContact O-CG 3.28Å; S368-M372 WeakPolarHBondContact O-CG 3.05Å; S368-M372 PolarHBondContact O-N 2.83Å
369L95.7Very high93.6Very high53 Ų5334.6 Ų34.628%0.27719%0.188SC..Hα-helixtrans-64.4-38.4175.9-67.6176.6000112.3L172 L176 F365 Q366 Y367 I371 M372 T373L172-L369 HydrophobicContact CD1-CD2 4.4Å; L176-L369 HydrophobicContact CD2-CD2 3.85Å; F365-L369 HydrophobicContact CD1-CD1 4.13Å; F365-L369 HydrophobicContact CE1-CD1 3.61Å; F365-L369 HydrophobicContact CE1-CG 4.3Å; F365-L369 HydrophobicContact CZ-CD1 3.98Å; F365-L369 HydrophobicContact CZ-CD2 4.46Å; F365-L369 HydrophobicContact CZ-CG 4.32Å; F365-L369 PolarHBondContact O-N 3.2Å; Q366-L369 PolarHBondContact O-N 3.45Å; Y367-L369 VanDerWaalsContact C-N 3.31Å; Y367-L369 PolarHBondContact O-N 3.45Å; L369-I371 PolarHBondContact O-N 3.26Å; L369-M372 PolarHBondContact O-N 2.67Å; L369-T373 WeakPolarHBondContact O-CB 3.14Å; L369-T373 WeakPolarHBondContact O-CG2 3.31Å; L369-T373 PolarHBondContact O-N 3.09Å; L369-T373 PolarHBondContact O-OG1 3.32Å
370K94.3Very high94Very high100 Ų10032.4 Ų32.444%0.43517%0.173SC..Hα-helixtrans-61.1-43.8175-72.5-176.6-177.4-174.80111.8D362 Q366 Y367 T373 S374D362-K370 WeakPolarHBondContact OD1-CE 3.41Å; D362-K370 IonicContact OD1-NZ 2.68Å; D362-K370 PolarHBondContact OD1-NZ 3.39Å; D362-K370 WeakPolarHBondContact OD2-CE 3.31Å; D362-K370 IonicContact OD2-NZ 4Å; D362-K370 PolarHBondContact OD2-NZ 3.32Å; Q366-K370 WeakPolarHBondContact O-CG 3.33Å; Q366-K370 PolarHBondContact O-N 3.02Å; Y367-K370 WeakPolarHBondContact O-CB 3.48Å; Y367-K370 PolarHBondContact O-N 3.41Å; Y367-K370 VanDerWaalsContact O-N 3.09Å; K370-T373 WeakPolarHBondContact CA-OG1 3.33Å; K370-T373 CarbonylContact O-C 3.59Å; K370-T373 PolarHBondContact O-N 2.9Å; K370-T373 PolarHBondContact O-OG1 3.08Å; K370-T373 VanDerWaalsContact O-OG1 3.08Å; K370-S374 PolarHBondContact O-N 3.33Å; K370-S374 PolarHBondContact O-OG 3.46Å
371I96.3Very high94.6Very high2 Ų228.6 Ų28.61%0.0115%0.146CC..Hα-helixtrans-67.9-43.4175.6-60.8-54.1000111.1F221 F248 D354 Y367 S368 L369 T373 S374 I377F221-I371 HydrophobicContact CB-CG2 3.7Å; F221-I371 HydrophobicContact CD1-CB 3.97Å; F221-I371 HydrophobicContact CD1-CG2 3.4Å; F221-I371 HydrophobicContact CE1-CB 4.35Å; F221-I371 HydrophobicContact CE1-CG2 4.2Å; F221-I371 HydrophobicContact CG-CG2 3.7Å; F248-I371 HydrophobicContact CE2-CG1 4.43Å; D354-I371 VanDerWaalsContact O-CD1 3.32Å; D354-I371 WeakPolarHBondContact O-CD1 3.24Å; Y367-I371 HydrophobicContact CD1-CG1 4.36Å; Y367-I371 HydrophobicContact CD2-CG1 4.43Å; Y367-I371 HydrophobicContact CE1-CD1 4.49Å; Y367-I371 HydrophobicContact CE1-CG1 3.84Å; Y367-I371 HydrophobicContact CE2-CD1 3.85Å; Y367-I371 HydrophobicContact CE2-CG1 3.93Å; Y367-I371 WeakPolarHBondContact O-CG1 3.32Å; Y367-I371 PolarHBondContact O-N 2.95Å; S368-I371 PolarHBondContact O-N 3.14Å; L369-I371 PolarHBondContact O-N 3.26Å; I371-T373 PolarHBondContact O-N 3.17Å; I371-S374 WeakPolarHBondContact O-CB 3.44Å; I371-S374 PolarHBondContact O-N 3.48Å; I371-I377 HydrophobicContact CG2-CD1 3.62Å; I371-I377 HydrophobicContact CG2-CG1 3.74Å
372M96.7Very high95.1Very high1 Ų124.7 Ų24.71%0.00512%0.123CC..Hα-helixtrans-64.1-20.5176.4-72.6179.6-161.200113.9L172 R175 L176 F179 F221 S368 L369L172-M372 HydrophobicContact CD1-CB 3.89Å; R175-M372 HydrophobicContact CB-CB 4.39Å; R175-M372 HydrophobicContact CB-CG 4.24Å; R175-M372 HydrophobicContact CB-SD 4.41Å; R175-M372 WeakPolarHBondContact CD-O 3.41Å; R175-M372 PolarHBondContact NH1-O 2.85Å; L176-M372 HydrophobicContact CD2-SD 3.85Å; L176-M372 HydrophobicContact CG-SD 4.36Å; F179-M372 HydrophobicContact CB-CE 3.42Å; F179-M372 VanDerWaalsContact CB-CE 3.42Å; F179-M372 HydrophobicContact CB-SD 4.43Å; F179-M372 HydrophobicContact CD1-CE 3.66Å; F179-M372 HydrophobicContact CD2-CE 3.31Å; F179-M372 HydrophobicContact CE1-CE 4.19Å; F179-M372 HydrophobicContact CE2-CE 3.9Å; F179-M372 HydrophobicContact CG-CE 3.17Å; F179-M372 HydrophobicContact CZ-CE 4.29Å; F221-M372 HydrophobicContact CD1-CE 4.48Å; F221-M372 HydrophobicContact CD1-CG 3.8Å; F221-M372 HydrophobicContact CE1-CE 3.65Å; F221-M372 HydrophobicContact CE1-CG 3.74Å; F221-M372 HydrophobicContact CZ-CE 4.18Å; S368-M372 WeakPolarHBondContact O-CB 3.48Å; S368-M372 VanDerWaalsContact O-CG 3.28Å; S368-M372 WeakPolarHBondContact O-CG 3.05Å; S368-M372 PolarHBondContact O-N 2.83Å; L369-M372 PolarHBondContact O-N 2.67Å
373T95.1Very high95.6Very high15 Ų1523.8 Ų23.89%0.09212%0.118CC..THydrogen-bonded Turntrans-99.1-2.3174.2530000112.6R167 Y168 L172 L369 K370 I371R167-T373 VanDerWaalsContact CD-O 3.3Å; R167-T373 WeakPolarHBondContact CD-O 3.47Å; R167-T373 PolarHBondContact NH1-O 2.92Å; Y168-T373 HydrophobicContact CD1-CG2 3.91Å; Y168-T373 HydrophobicContact CE1-CG2 3.49Å; Y168-T373 VanDerWaalsContact CE1-CG2 3.49Å; Y168-T373 HydrophobicContact CE2-CG2 4.44Å; L172-T373 HydrophobicContact CB-CG2 4.48Å; L172-T373 HydrophobicContact CD1-CG2 3.89Å; L172-T373 HydrophobicContact CD2-CG2 3.9Å; L172-T373 HydrophobicContact CG-CG2 4.31Å; L369-T373 WeakPolarHBondContact O-CB 3.14Å; L369-T373 WeakPolarHBondContact O-CG2 3.31Å; L369-T373 PolarHBondContact O-N 3.09Å; L369-T373 PolarHBondContact O-OG1 3.32Å; K370-T373 WeakPolarHBondContact CA-OG1 3.33Å; K370-T373 CarbonylContact O-C 3.59Å; K370-T373 PolarHBondContact O-N 2.9Å; K370-T373 PolarHBondContact O-OG1 3.08Å; K370-T373 VanDerWaalsContact O-OG1 3.08Å; I371-T373 PolarHBondContact O-N 3.17Å
374S94.7Very high95.9Very high15 Ų1521.8 Ų21.811%0.10510%0.103CC..SBendtrans-81.6177.4168.6-61.20000110.7R175 K370 I371R175-S374 PolarHBondContact NH1-O 3.49Å; K370-S374 PolarHBondContact O-N 3.33Å; K370-S374 PolarHBondContact O-OG 3.46Å; I371-S374 WeakPolarHBondContact O-CB 3.44Å; I371-S374 PolarHBondContact O-N 3.48Å
375W95.1Very high96.2Very high9 Ų925.2 Ų25.23%0.03413%0.125CC..SBendtrans-76.2-55.8-176.8-66.5113.8000112.6Y38 L42 F46 N137 F138 V166 R167 R175 F352Y38-W375 PolarHBondContact OH-O 3.36Å; L42-W375 HydrophobicContact CD1-CB 3.72Å; L42-W375 HydrophobicContact CD1-CD2 4.31Å; L42-W375 HydrophobicContact CD1-CE3 4.37Å; L42-W375 HydrophobicContact CD1-CG 4.13Å; L42-W375 HydrophobicContact CD2-CD2 4.01Å; L42-W375 HydrophobicContact CD2-CE3 3.91Å; L42-W375 HydrophobicContact CD2-CH2 4.37Å; L42-W375 HydrophobicContact CD2-CZ3 4.07Å; F46-W375 HydrophobicContact CE1-CZ2 4.5Å; F46-W375 AromaticContact CE1-NE1 3.78Å; F46-W375 AromaticContact CZ-CD1 3.49Å; F46-W375 VanDerWaalsContact CZ-CD1 3.49Å; F46-W375 HydrophobicContact CZ-CD2 4.32Å; F46-W375 AromaticContact CZ-CG 3.97Å; F46-W375 HydrophobicContact CZ-CG 3.97Å; F46-W375 AromaticContact CZ-NE1 3.52Å; N137-W375 PolarHBondContact O-NE1 3.17Å; F138-W375 HydrophobicContact CB-CZ2 4.16Å; F138-W375 HydrophobicContact CD2-CZ2 4.04Å; V166-W375 HydrophobicContact CG1-CZ3 4.37Å; R167-W375 HydrophobicContact CG-CD2 4.28Å; R167-W375 HydrophobicContact CG-CE3 3.68Å; R167-W375 HydrophobicContact CG-CH2 4.02Å; R167-W375 HydrophobicContact CG-CZ2 4.47Å; R167-W375 HydrophobicContact CG-CZ3 3.57Å; R175-W375 PolarHBondContact NH2-O 3.4Å; F352-W375 HydrophobicContact CB-CB 4.37Å; F352-W375 WeakPolarHBondContact O-CB 3.36Å; F352-W375 PolarHBondContact O-N 2.93Å
376A95.1Very high96.4Very high1 Ų123.9 Ų23.91%0.00813%0.125CC..  trans-165.1151.3178.600000109.6Y38 I39 S222 F352 A353Y38-A376 HydrophobicContact CE1-CB 4.35Å; I39-A376 HydrophobicContact CD1-CB 3.55Å; S222-A376 WeakPolarHBondContact O-CB 3.45Å; F352-A376 CarbonylContact C-O 3.51Å; F352-A376 HydrophobicContact CB-CB 4.31Å; F352-A376 WeakPolarHBondContact CB-O 3.43Å; A353-A376 VanDerWaalsContact CB-O 3.28Å; A353-A376 WeakPolarHBondContact CB-O 3.46Å
377I95.5Very high96.5Very high0 Ų020.6 Ų20.60%011%0.111CC..  trans-78.3122.9159.4-67.2-177.6000107.6F221 A223 V224 Y348 I371 V379F221-I377 HydrophobicContact CB-CD1 3.8Å; F221-I377 HydrophobicContact CB-CG1 4.11Å; F221-I377 HydrophobicContact CD2-CD1 4.45Å; F221-I377 HydrophobicContact CG-CD1 4.24Å; F221-I377 PolarHBondContact O-N 2.65Å; F221-I377 VanDerWaalsContact O-N 3.16Å; A223-I377 CarbonylContact C-O 3.56Å; A223-I377 WeakPolarHBondContact CA-O 3.44Å; A223-I377 HydrophobicContact CB-CB 4.06Å; A223-I377 HydrophobicContact CB-CG2 4.35Å; V224-I377 PolarHBondContact N-O 3.3Å; Y348-I377 HydrophobicContact CD1-CG2 3.9Å; Y348-I377 HydrophobicContact CE1-CG2 3.62Å; I371-I377 HydrophobicContact CG2-CD1 3.62Å; I371-I377 HydrophobicContact CG2-CG1 3.74Å; I377-V379 HydrophobicContact CG2-CB 4.35Å; I377-V379 HydrophobicContact CG2-CG1 4.08Å
378M94.3Very high96.6Very high14 Ų1427.1 Ų27.17%0.06914%0.136CC..EExtended strand (participates in β ladder)trans-122.4120170.9-169.9-76.4-134.600107.4N349 F352N349-M378 HydrophobicContact CB-CB 4.18Å; N349-M378 HydrophobicContact CB-CE 4.18Å; N349-M378 HydrophobicContact CB-CG 4.42Å; N349-M378 HydrophobicContact CB-SD 3.67Å; N349-M378 PolarHBondContact N-O 3.15Å; F352-M378 HydrophobicContact CD2-CB 3.83Å; F352-M378 HydrophobicContact CD2-CG 4.38Å; F352-M378 HydrophobicContact CE2-CB 4.4Å; F352-M378 HydrophobicContact CE2-CG 4.47Å
379V96.1Very high96.6Very high0 Ų031.2 Ų31.20%015%0.153CC..EExtended strand (participates in β ladder)trans-142.4138.2-169.359.20000111.2V224 I225 R226 V252 I346 R347 Y348 I377 V381V224-V379 PolarHBondContact O-N 2.89Å; I225-V379 WeakPolarHBondContact CA-O 3.45Å; I225-V379 HydrophobicContact CB-CG1 4.14Å; I225-V379 HydrophobicContact CG1-CG1 3.67Å; I225-V379 HydrophobicContact CG2-CG1 4.02Å; R226-V379 PolarHBondContact N-O 3.26Å; V252-V379 HydrophobicContact CG1-CG1 3.9Å; V252-V379 HydrophobicContact CG1-CG2 4.2Å; V252-V379 HydrophobicContact CG2-CG1 4.24Å; I346-V379 HydrophobicContact CG2-CG2 3.51Å; R347-V379 WeakPolarHBondContact O-CA 3.49Å; R347-V379 WeakPolarHBondContact O-CG2 3.39Å; Y348-V379 HydrophobicContact CD1-CB 3.68Å; Y348-V379 HydrophobicContact CD1-CG2 3.86Å; Y348-V379 HydrophobicContact CD2-CG2 4.46Å; Y348-V379 HydrophobicContact CE1-CB 3.7Å; Y348-V379 HydrophobicContact CE1-CG1 4.26Å; Y348-V379 HydrophobicContact CE1-CG2 3.72Å; Y348-V379 HydrophobicContact CE2-CG2 4.34Å; Y348-V379 HydrophobicContact CG-CB 4.41Å; Y348-V379 HydrophobicContact CG-CG2 4.24Å; I377-V379 HydrophobicContact CG2-CB 4.35Å; I377-V379 HydrophobicContact CG2-CG1 4.08Å; V379-V381 HydrophobicContact CG2-CG2 4.32Å
380D97.7Very high96.4Very high0 Ų031.1 Ų31.10%016%0.157CC..EExtended strand (participates in β ladder)trans-109.6135.4171.8-72.2-96.3000109.4F68 R226 H228 R347 W382F68-D380 HydrophobicContact CE2-CB 4.25Å; F68-D380 WeakPolarHBondContact CE2-OD2 3.26Å; F68-D380 HydrophobicContact CZ-CB 4.02Å; F68-D380 VanDerWaalsContact CZ-OD2 3.31Å; F68-D380 WeakPolarHBondContact CZ-OD2 3.41Å; R226-D380 VanDerWaalsContact CB-OD1 3.26Å; R226-D380 WeakPolarHBondContact CB-OD1 3.49Å; R226-D380 IonicContact CZ-OD1 3.34Å; R226-D380 IonicContact CZ-OD2 2.79Å; R226-D380 IonicContact NE-OD1 2.78Å; R226-D380 PolarHBondContact NE-OD1 2.99Å; R226-D380 IonicContact NE-OD2 3.89Å; R226-D380 PolarHBondContact NE-OD2 2.78Å; R226-D380 IonicContact NH2-OD1 2.9Å; R226-D380 PolarHBondContact NH2-OD1 3.21Å; R226-D380 IonicContact NH2-OD2 3.62Å; R226-D380 PolarHBondContact NH2-OD2 3.34Å; R226-D380 CarbonylContact O-C 3.48Å; R226-D380 WeakPolarHBondContact O-CA 3.26Å; H228-D380 IonicContact CD2-OD1 2.65Å; H228-D380 IonicContact CE1-OD1 3.46Å; H228-D380 IonicContact NE2-OD1 3.55Å; H228-D380 PolarHBondContact NE2-OD1 2.86Å; R347-D380 PolarHBondContact N-O 3.31Å; R347-D380 PolarHBondContact O-N 2.76Å; D380-W382 HydrophobicContact CB-CE3 4.04Å; D380-W382 HydrophobicContact CB-CH2 3.15Å; D380-W382 HydrophobicContact CB-CZ2 3.84Å; D380-W382 HydrophobicContact CB-CZ3 3.25Å; D380-W382 WeakPolarHBondContact O-CZ3 3.48Å
381V98.7Very high96.2Very high0 Ų034.4 Ų34.40%018%0.179CC..EExtended strand (participates in β ladder)trans-124.2117.5-177.7178.40000107.9I225 R226 F227 H228 V252 L253 V344 A345 V379 Y383I225-V381 HydrophobicContact CG2-CG2 4.1Å; R226-V381 PolarHBondContact O-N 2.53Å; F227-V381 CarbonylContact C-O 3.58Å; F227-V381 WeakPolarHBondContact CA-O 3.1Å; F227-V381 HydrophobicContact CD1-CB 3.64Å; F227-V381 HydrophobicContact CD1-CG1 3.77Å; F227-V381 HydrophobicContact CD1-CG2 4.22Å; F227-V381 HydrophobicContact CE1-CB 3.89Å; F227-V381 HydrophobicContact CE1-CG1 3.93Å; F227-V381 HydrophobicContact CE1-CG2 3.98Å; H228-V381 PolarHBondContact N-O 2.64Å; V252-V381 HydrophobicContact CG1-CG2 3.7Å; L253-V381 HydrophobicContact CD2-CG1 3.5Å; L253-V381 VanDerWaalsContact CD2-CG1 3.5Å; L253-V381 HydrophobicContact CD2-CG2 4.17Å; V344-V381 HydrophobicContact CG1-CG1 3.58Å; A345-V381 CarbonylContact O-C 3.52Å; A345-V381 VanDerWaalsContact O-CA 3.32Å; A345-V381 WeakPolarHBondContact O-CA 3.4Å; V379-V381 HydrophobicContact CG2-CG2 4.32Å; V381-Y383 HydrophobicContact CG1-CE1 4.3Å
382W98.8Very high96Very high41 Ų4143.7 Ų43.716%0.15522%0.222CC..EExtended strand (participates in β ladder)trans-106.1122.9174.2-66.3-102.8000109.8F68 H228 V344 A345 R347 D380 L384 C409F68-W382 HydrophobicContact CE1-CZ2 4.41Å; F68-W382 HydrophobicContact CE2-CH2 4.43Å; F68-W382 AromaticContact CZ-CH2 3.72Å; F68-W382 HydrophobicContact CZ-CH2 3.72Å; F68-W382 AromaticContact CZ-CZ2 3.91Å; F68-W382 HydrophobicContact CZ-CZ2 3.91Å; H228-W382 HydrophobicContact CB-CB 4.43Å; H228-W382 HydrophobicContact CB-CD2 4.46Å; H228-W382 HydrophobicContact CB-CG 3.83Å; H228-W382 AromaticContact CD2-CD1 3.84Å; H228-W382 AromaticContact CD2-CD2 3.71Å; H228-W382 AromaticContact CD2-CE2 3.4Å; H228-W382 AromaticContact CD2-CG 3.99Å; H228-W382 AromaticContact CD2-CZ2 3.88Å; H228-W382 AromaticContact CD2-NE1 3.44Å; H228-W382 PolarHBondContact CD2-NE1 2.66Å; H228-W382 AromaticContact CG-CD1 3.67Å; H228-W382 AromaticContact CG-CE2 3.92Å; H228-W382 AromaticContact CG-NE1 3.44Å; H228-W382 AromaticContact NE2-CE2 3.87Å; H228-W382 AromaticContact NE2-CZ2 3.89Å; V344-W382 WeakPolarHBondContact CA-O 3.36Å; A345-W382 HydrophobicContact CB-CB 4.42Å; A345-W382 HydrophobicContact CB-CE3 4.42Å; A345-W382 PolarHBondContact N-O 3.36Å; A345-W382 PolarHBondContact O-N 3.47Å; R347-W382 HydrophobicContact CB-CH2 4.1Å; R347-W382 HydrophobicContact CB-CZ3 3.58Å; D380-W382 HydrophobicContact CB-CE3 4.04Å; D380-W382 HydrophobicContact CB-CH2 3.15Å; D380-W382 HydrophobicContact CB-CZ2 3.84Å; D380-W382 HydrophobicContact CB-CZ3 3.25Å; D380-W382 WeakPolarHBondContact O-CZ3 3.48Å; W382-L384 HydrophobicContact CB-CD1 4.13Å; W382-L384 WeakPolarHBondContact O-CD1 3.3Å; W382-C409 VanDerWaalsContact CB-SG 3.58Å
383Y98.9Very high95.8Very high0 Ų044.8 Ų44.80%023%0.228CC..EExtended strand (participates in β ladder)trans-84.4112167.9-61.1-68.5000109.1F227 H228 N229 N232 R233 P234 D256 V344 V381F227-Y383 HydrophobicContact CB-CE2 4.23Å; F227-Y383 AromaticContact CD1-CE2 3.64Å; F227-Y383 HydrophobicContact CD1-CE2 3.64Å; F227-Y383 AromaticContact CD1-CZ 3.78Å; F227-Y383 VanDerWaalsContact CD1-OH 3.31Å; F227-Y383 WeakPolarHBondContact CD1-OH 3.33Å; F227-Y383 HydrophobicContact CE1-CE2 4.45Å; F227-Y383 VanDerWaalsContact CE1-OH 3.3Å; F227-Y383 WeakPolarHBondContact CE1-OH 3.15Å; F227-Y383 HydrophobicContact CG-CE2 4.32Å; H228-Y383 WeakPolarHBondContact O-CD2 3.47Å; H228-Y383 PolarHBondContact O-N 2.9Å; N229-Y383 WeakPolarHBondContact CB-O 3.28Å; N229-Y383 WeakPolarHBondContact O-CB 3.47Å; N232-Y383 WeakPolarHBondContact CB-O 3.36Å; N232-Y383 PolarHBondContact ND2-O 3.48Å; R233-Y383 HydrophobicContact CG-CD1 4.48Å; R233-Y383 HydrophobicContact CG-CD2 3.88Å; R233-Y383 HydrophobicContact CG-CE1 4.38Å; R233-Y383 HydrophobicContact CG-CE2 3.72Å; R233-Y383 HydrophobicContact CG-CG 4.26Å; P234-Y383 HydrophobicContact CG-CD1 4.49Å; D256-Y383 PolarHBondContact OD2-OH 2.7Å; V344-Y383 HydrophobicContact CG1-CD1 4.35Å; V344-Y383 HydrophobicContact CG1-CE1 4.4Å; V344-Y383 HydrophobicContact CG2-CD1 3.66Å; V344-Y383 HydrophobicContact CG2-CE1 4.07Å; V381-Y383 HydrophobicContact CG1-CE1 4.3Å
384L98.7Very high95.6Very high16 Ų1648.4 Ų48.48%0.08425%0.247CC..PPolyproline II helixtrans-84156.9178.2-76.671.2000110.3N232 P343 A345 W382 S405 C409N232-L384 WeakPolarHBondContact CB-O 3.48Å; P343-L384 HydrophobicContact CB-CB 3.96Å; P343-L384 HydrophobicContact CB-CD2 4.26Å; P343-L384 HydrophobicContact CG-CB 4.18Å; P343-L384 WeakPolarHBondContact O-CB 3.46Å; P343-L384 PolarHBondContact O-N 3.41Å; A345-L384 HydrophobicContact CB-CD1 4.14Å; W382-L384 HydrophobicContact CB-CD1 4.13Å; W382-L384 WeakPolarHBondContact O-CD1 3.3Å; L384-S405 WeakPolarHBondContact CD2-O 3.46Å; L384-C409 HydrophobicContact CD1-CB 3.95Å; L384-C409 HydrophobicContact CD2-CB 3.97Å; L384-C409 HydrophobicContact CG-CB 4.23Å
385P98.5Very high95.4Very high84 Ų8448.8 Ų48.855%0.54525%0.249SC..PPolyproline II helixtrans-52.9136.9176.3-27.335.6000112.1P343P343-P385 WeakPolarHBondContact CD-O 3.15Å
386P98.3Very high95.2Very high49 Ų4952.3 Ų52.332%0.31827%0.268SS..PPolyproline II helixtrans-61.3146.4176.925-32.8000111E340 I341E340-P386 HydrophobicContact CG-CB 3.87Å; I341-P386 CarbonylContact O-C 3.33Å; I341-P386 WeakPolarHBondContact O-CA 3.36Å
387T97.7Very high95.1Very high27 Ų2754.2 Ų54.217%0.16628%0.284CS..BIsolated β-bridgetrans-138.6150.3-178.6179.90000111.2I341 P343 F398 R401 V402I341-T387 HydrophobicContact CB-CG2 4.34Å; I341-T387 PolarHBondContact N-O 3.3Å; I341-T387 PolarHBondContact O-N 2.83Å; P343-T387 HydrophobicContact CG-CG2 4.04Å; T387-F398 HydrophobicContact CG2-CE2 3.74Å; T387-F398 HydrophobicContact CG2-CZ 4.1Å; T387-R401 PolarHBondContact OG1-NH1 2.75Å; T387-R401 PolarHBondContact OG1-NH2 3.22Å; T387-V402 HydrophobicContact CG2-CG2 3.85Å
388R96.7Very high95.1Very high140 Ų14054.4 Ų54.453%0.52828%0.284SS..  trans-114.7163170.3-67.8-179.5179.5-100.21.8110.3E340 R401E340-R388 HydrophobicContact CB-CG 4.39Å; E340-R388 HydrophobicContact CG-CG 4.15Å; E340-R388 IonicContact OE2-CZ 3.77Å; E340-R388 VanDerWaalsContact OE2-CZ 3.28Å; E340-R388 IonicContact OE2-NE 3.94Å; E340-R388 PolarHBondContact OE2-NE 2.92Å; E340-R388 IonicContact OE2-NH2 3.66Å; E340-R388 PolarHBondContact OE2-NH2 3.15Å; R388-R401 PolarHBondContact O-NH2 3.5Å
389K95Very high95.2Very high89 Ų8953.9 Ų53.939%0.38728%0.282SS..  trans-66.5129.8169.7-162.817880.366.60108.7E393 F398K389-E393 VanDerWaalsContact CA-OE1 3.26Å; K389-E393 WeakPolarHBondContact CA-OE1 3.14Å; K389-E393 HydrophobicContact CG-CG 3.68Å; K389-E393 PolarHBondContact NZ-O 3.08Å; K389-F398 HydrophobicContact CB-CD1 3.6Å; K389-F398 HydrophobicContact CB-CE1 3.92Å; K389-F398 HydrophobicContact CB-CG 4.07Å; K389-F398 HydrophobicContact CD-CB 4.45Å; K389-F398 HydrophobicContact CD-CD1 4.36Å; K389-F398 HydrophobicContact CG-CB 3.92Å; K389-F398 HydrophobicContact CG-CD1 3.85Å; K389-F398 HydrophobicContact CG-CG 4Å
390S93Very high95.1Very high51 Ų5159.1 Ų59.136%0.35730%0.302SS..  trans-75.916417175.50000111.2Q392 E393S390-Q392 VanDerWaalsContact C-N 3.25Å; S390-Q392 PolarHBondContact O-N 3.47Å; S390-E393 PolarHBondContact N-OE1 3.08Å; S390-E393 WeakPolarHBondContact OG-CB 3.1Å; S390-E393 VanDerWaalsContact OG-CG 3.28Å; S390-E393 WeakPolarHBondContact OG-CG 3.48Å; S390-E393 PolarHBondContact OG-N 3.24Å
391D90.2Very high95Very high168 Ų16863.7 Ų63.790%0.89832%0.319SS*.SBendtrans-69.6-26.4177.9-61.6-37.1000112.3
392Q91.6Very high95Very high197 Ų19763.8 Ų63.892%0.92132%0.32SS*.SBendtrans-88.2-14.3-176.9-63.7179.2-4.500113.6S390S390-Q392 VanDerWaalsContact C-N 3.25Å; S390-Q392 PolarHBondContact O-N 3.47Å
393E91.9Very high94.9Very high24 Ų2461.9 Ų61.911%0.11231%0.313CS..  trans-106141.9-178.483-170.5152.200111.8K389 S390 A397 F398 R401K389-E393 VanDerWaalsContact CA-OE1 3.26Å; K389-E393 WeakPolarHBondContact CA-OE1 3.14Å; K389-E393 HydrophobicContact CG-CG 3.68Å; K389-E393 PolarHBondContact NZ-O 3.08Å; S390-E393 PolarHBondContact N-OE1 3.08Å; S390-E393 WeakPolarHBondContact OG-CB 3.1Å; S390-E393 VanDerWaalsContact OG-CG 3.28Å; S390-E393 WeakPolarHBondContact OG-CG 3.48Å; S390-E393 PolarHBondContact OG-N 3.24Å; E393-A397 HydrophobicContact CB-CB 3.97Å; E393-F398 HydrophobicContact CG-CB 4.03Å; E393-F398 WeakPolarHBondContact OE2-CA 3.31Å; E393-R401 IonicContact OE1-CZ 3.75Å; E393-R401 IonicContact OE1-NE 2.71Å; E393-R401 IonicContact OE1-NH2 2.71Å; E393-R401 PolarHBondContact OE1-NH2 3.01Å; E393-R401 IonicContact OE2-CZ 2.76Å; E393-R401 IonicContact OE2-NE 3.85Å; E393-R401 PolarHBondContact OE2-NE 2.74Å; E393-R401 IonicContact OE2-NH2 3.62Å; E393-R401 PolarHBondContact OE2-NH2 3.37Å
394D92.1Very high94.7Very high92 Ų9265.5 Ų65.549%0.49233%0.327SS..  trans-81.3174168.674.29.7000111I396 A397 F398D394-I396 PolarHBondContact O-N 3.36Å; D394-I396 WeakPolarHBondContact OD1-CA 3.33Å; D394-I396 WeakPolarHBondContact OD1-CB 3.27Å; D394-I396 PolarHBondContact OD1-N 3.39Å; D394-A397 PolarHBondContact O-N 3.44Å; D394-A397 WeakPolarHBondContact OD1-CB 3.39Å; D394-A397 PolarHBondContact OD1-N 3.49Å; D394-F398 WeakPolarHBondContact O-CB 3.33Å; D394-F398 PolarHBondContact O-N 3.04Å
395S90.2Very high94.6Very high22 Ų2266.5 Ų66.515%0.15434%0.335CS..Hα-helixtrans-65.7-21-178.4-50.30000113.3E336 A399E336-S395 WeakPolarHBondContact CG-OG 3.18Å; S395-A399 VanDerWaalsContact O-CB 3.26Å; S395-A399 WeakPolarHBondContact O-CB 3.4Å; S395-A399 PolarHBondContact O-N 2.63Å; S395-A399 VanDerWaalsContact O-N 3.08Å
396I90.5Very high94.6Very high83 Ų8362.5 Ų62.543%0.42631%0.309SS..Hα-helixtrans-79-47178.7-61.1174.6000109.3K332 D394 F398 A399 R400K332-I396 HydrophobicContact CB-CG1 4.39Å; K332-I396 HydrophobicContact CD-CD1 4.37Å; K332-I396 HydrophobicContact CD-CG1 3.91Å; D394-I396 PolarHBondContact O-N 3.36Å; D394-I396 WeakPolarHBondContact OD1-CA 3.33Å; D394-I396 WeakPolarHBondContact OD1-CB 3.27Å; D394-I396 PolarHBondContact OD1-N 3.39Å; I396-F398 VanDerWaalsContact C-N 3.31Å; I396-F398 PolarHBondContact O-N 2.86Å; I396-A399 PolarHBondContact O-N 3.12Å; I396-R400 WeakPolarHBondContact O-CB 3.48Å; I396-R400 PolarHBondContact O-N 3.12Å
397A92.6Very high94.5Very high42 Ų4260.3 Ų60.335%0.34730%0.295SS..Hα-helixtrans-60.3-41.4174.100000111.1E393 D394 R400 R401E393-A397 HydrophobicContact CB-CB 3.97Å; D394-A397 PolarHBondContact O-N 3.44Å; D394-A397 WeakPolarHBondContact OD1-CB 3.39Å; D394-A397 PolarHBondContact OD1-N 3.49Å; A397-R400 PolarHBondContact O-N 2.86Å; A397-R401 WeakPolarHBondContact O-CB 3.36Å; A397-R401 PolarHBondContact O-N 3.22Å
398F96Very high94.3Very high3 Ų366.9 Ų66.91%0.01332%0.324CS..Hα-helixtrans-63.8-48.2174.8-177.3-148.4000112.5F335 I341 T387 K389 E393 D394 I396 R400 R401 V402F335-F398 HydrophobicContact CB-CD1 4.01Å; F335-F398 AromaticContact CD1-CD1 3.63Å; F335-F398 HydrophobicContact CD1-CD1 3.63Å; F335-F398 AromaticContact CD1-CE1 3.75Å; F335-F398 HydrophobicContact CD1-CE1 3.75Å; F335-F398 HydrophobicContact CD1-CG 4.15Å; F335-F398 HydrophobicContact CD1-CZ 4.35Å; F335-F398 HydrophobicContact CG-CD1 4.29Å; I341-F398 HydrophobicContact CB-CZ 3.96Å; I341-F398 HydrophobicContact CG1-CE1 3.7Å; I341-F398 HydrophobicContact CG1-CZ 3.6Å; T387-F398 HydrophobicContact CG2-CE2 3.74Å; T387-F398 HydrophobicContact CG2-CZ 4.1Å; K389-F398 HydrophobicContact CB-CD1 3.6Å; K389-F398 HydrophobicContact CB-CE1 3.92Å; K389-F398 HydrophobicContact CB-CG 4.07Å; K389-F398 HydrophobicContact CD-CB 4.45Å; K389-F398 HydrophobicContact CD-CD1 4.36Å; K389-F398 HydrophobicContact CG-CB 3.92Å; K389-F398 HydrophobicContact CG-CD1 3.85Å; K389-F398 HydrophobicContact CG-CG 4Å; E393-F398 HydrophobicContact CG-CB 4.03Å; E393-F398 WeakPolarHBondContact OE2-CA 3.31Å; D394-F398 WeakPolarHBondContact O-CB 3.33Å; D394-F398 PolarHBondContact O-N 3.04Å; I396-F398 VanDerWaalsContact C-N 3.31Å; I396-F398 PolarHBondContact O-N 2.86Å; F398-R400 VanDerWaalsContact C-N 3.26Å; F398-R400 PolarHBondContact O-N 3.43Å; F398-R401 VanDerWaalsContact CE2-NH2 3.29Å; F398-R401 PolarHBondContact O-N 3.12Å; F398-V402 HydrophobicContact CD2-CG2 3.82Å; F398-V402 HydrophobicContact CE2-CG2 3.46Å; F398-V402 VanDerWaalsContact CE2-CG2 3.46Å; F398-V402 HydrophobicContact CZ-CG2 4.12Å; F398-V402 WeakPolarHBondContact O-CG2 3.16Å; F398-V402 PolarHBondContact O-N 2.96Å
399A95.2Very high94.2Very high3 Ų362.3 Ų62.33%0.02531%0.313CS..Hα-helixtrans-57.3-42.6176.400000111.6F330 F335 S395 I396 V402 Q403F330-A399 HydrophobicContact CB-CB 4.17Å; F335-A399 HydrophobicContact CD1-CB 4.24Å; F335-A399 HydrophobicContact CD2-CB 3.49Å; F335-A399 VanDerWaalsContact CD2-CB 3.49Å; F335-A399 HydrophobicContact CE1-CB 4.35Å; F335-A399 HydrophobicContact CE2-CB 3.62Å; F335-A399 HydrophobicContact CG-CB 3.82Å; F335-A399 HydrophobicContact CZ-CB 4.06Å; S395-A399 VanDerWaalsContact O-CB 3.26Å; S395-A399 WeakPolarHBondContact O-CB 3.4Å; S395-A399 PolarHBondContact O-N 2.63Å; S395-A399 VanDerWaalsContact O-N 3.08Å; I396-A399 PolarHBondContact O-N 3.12Å; A399-V402 PolarHBondContact O-N 3.45Å; A399-Q403 WeakPolarHBondContact O-CB 3.38Å; A399-Q403 PolarHBondContact O-N 2.79Å
400R94.3Very high94Very high110 Ų11058.3 Ų58.342%0.41530%0.297SS..Hα-helixtrans-64-45.7176.9-170172.2-168.1-126-1111.6I396 A397 F398 V402 Q403 Y404 D416I396-R400 WeakPolarHBondContact O-CB 3.48Å; I396-R400 PolarHBondContact O-N 3.12Å; A397-R400 PolarHBondContact O-N 2.86Å; F398-R400 VanDerWaalsContact C-N 3.26Å; F398-R400 PolarHBondContact O-N 3.43Å; R400-V402 VanDerWaalsContact C-N 3.34Å; R400-V402 PolarHBondContact O-N 3.44Å; R400-Q403 WeakPolarHBondContact O-CB 3.45Å; R400-Q403 PolarHBondContact O-N 3.44Å; R400-Y404 HydrophobicContact CG-CD2 3.69Å; R400-Y404 HydrophobicContact CG-CE2 3.55Å; R400-Y404 PolarHBondContact NH2-OH 3.29Å; R400-Y404 VanDerWaalsContact O-CD2 3.24Å; R400-Y404 WeakPolarHBondContact O-CD2 3.49Å; R400-Y404 PolarHBondContact O-N 2.85Å; R400-D416 IonicContact CZ-OD1 3.43Å; R400-D416 IonicContact NE-OD1 2.64Å; R400-D416 PolarHBondContact NE-OD1 2.81Å; R400-D416 VanDerWaalsContact NE-OD1 3.15Å; R400-D416 IonicContact NH2-OD1 3.88Å; R400-D416 PolarHBondContact NH2-OD1 3.3Å; R400-D416 IonicContact NH2-OD2 2.83Å; R400-D416 PolarHBondContact NH2-OD2 3.18Å
401R95.7Very high93.8Very high97 Ų9756.6 Ų56.637%0.36629%0.288SS..Hα-helixtrans-58.8-44.7176.5-178.3168.160.681.4-9111.9T387 R388 E393 A397 F398 S405T387-R401 PolarHBondContact OG1-NH1 2.75Å; T387-R401 PolarHBondContact OG1-NH2 3.22Å; R388-R401 PolarHBondContact O-NH2 3.5Å; E393-R401 IonicContact OE1-CZ 3.75Å; E393-R401 IonicContact OE1-NE 2.71Å; E393-R401 IonicContact OE1-NH2 2.71Å; E393-R401 PolarHBondContact OE1-NH2 3.01Å; E393-R401 IonicContact OE2-CZ 2.76Å; E393-R401 IonicContact OE2-NE 3.85Å; E393-R401 PolarHBondContact OE2-NE 2.74Å; E393-R401 IonicContact OE2-NH2 3.62Å; E393-R401 PolarHBondContact OE2-NH2 3.37Å; A397-R401 WeakPolarHBondContact O-CB 3.36Å; A397-R401 PolarHBondContact O-N 3.22Å; F398-R401 VanDerWaalsContact CE2-NH2 3.29Å; F398-R401 PolarHBondContact O-N 3.12Å; R401-S405 PolarHBondContact O-N 3.3Å
402V98.2Very high93.9Very high1 Ų149.3 Ų49.31%0.00625%0.248CC..Hα-helixtrans-65.5-45.7177176.20000111.1V241 F330 F335 I341 P343 T387 F398 A399 R400 Y404 S405 I406V241-V402 HydrophobicContact CG1-CG1 4.14Å; F330-V402 HydrophobicContact CE2-CG1 4.1Å; F335-V402 HydrophobicContact CE1-CB 3.86Å; F335-V402 HydrophobicContact CE1-CG1 4.06Å; F335-V402 HydrophobicContact CE1-CG2 3.89Å; F335-V402 HydrophobicContact CZ-CB 4.29Å; F335-V402 HydrophobicContact CZ-CG1 4.29Å; I341-V402 HydrophobicContact CG2-CG1 4.08Å; I341-V402 HydrophobicContact CG2-CG2 4.35Å; P343-V402 HydrophobicContact CB-CG1 3.92Å; P343-V402 HydrophobicContact CG-CG1 4.03Å; T387-V402 HydrophobicContact CG2-CG2 3.85Å; F398-V402 HydrophobicContact CD2-CG2 3.82Å; F398-V402 HydrophobicContact CE2-CG2 3.46Å; F398-V402 VanDerWaalsContact CE2-CG2 3.46Å; F398-V402 HydrophobicContact CZ-CG2 4.12Å; F398-V402 WeakPolarHBondContact O-CG2 3.16Å; F398-V402 PolarHBondContact O-N 2.96Å; A399-V402 PolarHBondContact O-N 3.45Å; R400-V402 VanDerWaalsContact C-N 3.34Å; R400-V402 PolarHBondContact O-N 3.44Å; V402-Y404 PolarHBondContact O-N 2.76Å; V402-S405 PolarHBondContact O-N 2.6Å; V402-S405 PolarHBondContact O-OG 2.83Å; V402-I406 HydrophobicContact CG1-CD1 4.13Å; V402-I406 PolarHBondContact O-N 2.82Å
403Q96.8Very high93.7Very high1 Ų143 Ų431%0.00522%0.22CC..Hα-helixtrans-54.3-51.7175.1-177.7-149.8-11.600111.8V327 M328 F330 A399 R400 S405 I406 A407 M415V327-Q403 HydrophobicContact CB-CG 4.35Å; V327-Q403 HydrophobicContact CG1-CG 3.72Å; V327-Q403 PolarHBondContact O-NE2 3.45Å; M328-Q403 PolarHBondContact O-NE2 3.37Å; F330-Q403 HydrophobicContact CB-CB 4.49Å; F330-Q403 HydrophobicContact CD1-CB 4.11Å; F330-Q403 HydrophobicContact CD1-CG 3.94Å; F330-Q403 HydrophobicContact CD2-CB 3.66Å; F330-Q403 HydrophobicContact CD2-CG 4.39Å; F330-Q403 HydrophobicContact CE1-CB 4.3Å; F330-Q403 HydrophobicContact CE1-CG 4.04Å; F330-Q403 VanDerWaalsContact CE2-CA 3.5Å; F330-Q403 HydrophobicContact CE2-CB 3.88Å; F330-Q403 HydrophobicContact CE2-CG 4.49Å; F330-Q403 HydrophobicContact CG-CB 3.82Å; F330-Q403 HydrophobicContact CG-CG 4.15Å; F330-Q403 HydrophobicContact CZ-CB 4.21Å; F330-Q403 HydrophobicContact CZ-CG 4.33Å; A399-Q403 WeakPolarHBondContact O-CB 3.38Å; A399-Q403 PolarHBondContact O-N 2.79Å; R400-Q403 WeakPolarHBondContact O-CB 3.45Å; R400-Q403 PolarHBondContact O-N 3.44Å; Q403-S405 VanDerWaalsContact C-N 3.32Å; Q403-S405 PolarHBondContact O-N 3Å; Q403-I406 PolarHBondContact O-N 2.93Å; Q403-A407 WeakPolarHBondContact O-CB 3.43Å; Q403-A407 PolarHBondContact O-N 3.08Å; Q403-M415 PolarHBondContact NE2-O 2.94Å
404Y95.7Very high93.5Very high77 Ų7742.6 Ų42.630%0.30222%0.223SC..Hα-helixtrans-63.7-37.3180-85.2-72000112.4R400 V402 I406 A407 Q408 D416R400-Y404 HydrophobicContact CG-CD2 3.69Å; R400-Y404 HydrophobicContact CG-CE2 3.55Å; R400-Y404 PolarHBondContact NH2-OH 3.29Å; R400-Y404 VanDerWaalsContact O-CD2 3.24Å; R400-Y404 WeakPolarHBondContact O-CD2 3.49Å; R400-Y404 PolarHBondContact O-N 2.85Å; V402-Y404 PolarHBondContact O-N 2.76Å; Y404-I406 VanDerWaalsContact C-N 3.33Å; Y404-I406 PolarHBondContact O-N 3.29Å; Y404-A407 PolarHBondContact O-N 3.44Å; Y404-Q408 WeakPolarHBondContact O-CB 3.38Å; Y404-Q408 PolarHBondContact O-N 3.41Å; Y404-D416 PolarHBondContact OH-OD1 3.39Å
405S97.4Very high93.4Very high37 Ų3739 Ų3926%0.25920%0.203SC..Hα-helixtrans-61.9-41.8175.673.50000112.1L384 R401 V402 Q403 C409L384-S405 WeakPolarHBondContact CD2-O 3.46Å; R401-S405 PolarHBondContact O-N 3.3Å; V402-S405 PolarHBondContact O-N 2.6Å; V402-S405 PolarHBondContact O-OG 2.83Å; Q403-S405 VanDerWaalsContact C-N 3.32Å; Q403-S405 PolarHBondContact O-N 3Å; S405-C409 VanDerWaalsContact O-CB 3.24Å; S405-C409 WeakPolarHBondContact O-CB 2.84Å; S405-C409 PolarHBondContact O-N 3.13Å
406I98.1Very high93.1Very high0 Ų039.1 Ų39.10%020%0.202CC..Hα-helixtrans-66.9-45.6176.5-72.4172.3000110.6V241 N243 V327 F330 P343 A345 V402 Q403 Y404 C409 G410V241-I406 HydrophobicContact CG1-CD1 4.03Å; V241-I406 WeakPolarHBondContact O-CD1 3.48Å; N243-I406 HydrophobicContact CB-CG2 3.96Å; V327-I406 HydrophobicContact CG2-CG2 4.29Å; F330-I406 HydrophobicContact CE2-CD1 3.85Å; F330-I406 HydrophobicContact CZ-CD1 3.84Å; P343-I406 HydrophobicContact CB-CD1 3.84Å; P343-I406 HydrophobicContact CB-CG1 3.71Å; A345-I406 HydrophobicContact CB-CG2 4.06Å; V402-I406 HydrophobicContact CG1-CD1 4.13Å; V402-I406 PolarHBondContact O-N 2.82Å; Q403-I406 PolarHBondContact O-N 2.93Å; Y404-I406 VanDerWaalsContact C-N 3.33Å; Y404-I406 PolarHBondContact O-N 3.29Å; I406-C409 PolarHBondContact O-N 3.15Å; I406-G410 PolarHBondContact O-N 2.88Å
407A94.9Very high92.8Very high2 Ų236.6 Ų36.62%0.01719%0.187CC..Hα-helixtrans-60.4-50.117900000111.2V327 Q403 Y404 G410 G411 M412V327-A407 HydrophobicContact CB-CB 4.01Å; V327-A407 HydrophobicContact CG2-CB 3.75Å; Q403-A407 WeakPolarHBondContact O-CB 3.43Å; Q403-A407 PolarHBondContact O-N 3.08Å; Y404-A407 PolarHBondContact O-N 3.44Å; A407-G410 PolarHBondContact O-N 2.99Å; A407-G411 PolarHBondContact O-N 3.33Å; A407-M412 CarbonylContact C-O 3.37Å; A407-M412 WeakPolarHBondContact CB-O 3.39Å; A407-M412 PolarHBondContact O-N 3.19Å; A407-M412 VanDerWaalsContact O-O 3.06Å
408Q93.7Very high92.4Very high165 Ų16537 Ų3777%0.77118%0.183SC*.Hα-helixtrans-61.3-46.8178.6-174.6179.620.600111.9Y404 G410 G411Y404-Q408 WeakPolarHBondContact O-CB 3.38Å; Y404-Q408 PolarHBondContact O-N 3.41Å; Q408-G410 VanDerWaalsContact C-N 3.3Å; Q408-G410 PolarHBondContact O-N 3.5Å; Q408-G411 PolarHBondContact O-N 3.16Å
409C94.7Very high91.8Very high44 Ų4437 Ų3730%0.29718%0.184SC..Hα-helixtrans-64.9-34.2179.4-174.70000112.6A345 W382 L384 S405 I406A345-C409 HydrophobicContact CB-CB 4.2Å; W382-C409 VanDerWaalsContact CB-SG 3.58Å; L384-C409 HydrophobicContact CD1-CB 3.95Å; L384-C409 HydrophobicContact CD2-CB 3.97Å; L384-C409 HydrophobicContact CG-CB 4.23Å; S405-C409 VanDerWaalsContact O-CB 3.24Å; S405-C409 WeakPolarHBondContact O-CB 2.84Å; S405-C409 PolarHBondContact O-N 3.13Å; I406-C409 PolarHBondContact O-N 3.15Å
410G91.8Very high91.2Very high5 Ų540.9 Ų40.95%0.05220%0.202CC..THydrogen-bonded Turntrans-85.90.6-179.700000115.1R347 I406 A407 Q408 M412R347-G410 WeakPolarHBondContact CD-O 3.45Å; R347-G410 PolarHBondContact NE-O 2.85Å; I406-G410 PolarHBondContact O-N 2.88Å; A407-G410 PolarHBondContact O-N 2.99Å; Q408-G410 VanDerWaalsContact C-N 3.3Å; Q408-G410 PolarHBondContact O-N 3.5Å; G410-M412 VanDerWaalsContact C-N 3.32Å; G410-M412 PolarHBondContact O-N 2.9Å
411G89Confident90.6Very high16 Ų1637.7 Ų37.717%0.16519%0.193CC..THydrogen-bonded Turntrans61.241.5-173.200000112.3D72 R347 A407 Q408D72-G411 WeakPolarHBondContact OD1-CA 3.49Å; R347-G411 PolarHBondContact NH2-O 2.88Å; A407-G411 PolarHBondContact O-N 3.33Å; Q408-G411 PolarHBondContact O-N 3.16Å
412M90.8Very high89.8Confident14 Ų1435.3 Ų35.37%0.06919%0.185CC..  trans-123.2156.8-178.5-65.8-179.5-75.700110.7N243 N324 V327 A407 G410N243-M412 HydrophobicContact CB-CE 4.37Å; N324-M412 WeakPolarHBondContact O-CG 3.45Å; V327-M412 HydrophobicContact CG2-CB 4.09Å; V327-M412 HydrophobicContact CG2-CE 3.55Å; V327-M412 HydrophobicContact CG2-SD 3.89Å; A407-M412 CarbonylContact C-O 3.37Å; A407-M412 WeakPolarHBondContact CB-O 3.39Å; A407-M412 PolarHBondContact O-N 3.19Å; A407-M412 VanDerWaalsContact O-O 3.06Å; G410-M412 VanDerWaalsContact C-N 3.32Å; G410-M412 PolarHBondContact O-N 2.9Å
413I88.1Confident88.8Confident65 Ų6542.7 Ų42.733%0.33321%0.213SC..EExtended strand (participates in β ladder)trans-82.8125.6179.2-59.5169.8000110.4T325 S326 V327 M415T325-I413 PolarHBondContact O-N 3.21Å; S326-I413 CarbonylContact C-O 3.58Å; S326-I413 WeakPolarHBondContact CA-O 3.47Å; S326-I413 WeakPolarHBondContact CB-O 3.4Å; V327-I413 PolarHBondContact N-O 3.33Å; I413-M415 HydrophobicContact CG2-SD 3.9Å; I413-M415 PolarHBondContact O-N 3.08Å
414G88.5Confident88Confident16 Ų1647 Ų4717%0.16524%0.236CC..EExtended strand (participates in β ladder)trans-78.3112.9171.500000111.5
415M88.3Confident87.3Confident15 Ų1554.9 Ų54.97%0.07427%0.265CS..  trans-95.9137.9-175.9-60.1-71.1-81.900111.9S123 R127 V327 M328 K329 Q403 I413 W417S123-M415 WeakPolarHBondContact O-CE 3.34Å; R127-M415 HydrophobicContact CG-CE 4.34Å; V327-M415 PolarHBondContact O-N 2.87Å; M328-M415 HydrophobicContact CE-CE 4.45Å; M328-M415 HydrophobicContact CE-CG 4.24Å; M328-M415 HydrophobicContact SD-CB 3.81Å; M328-M415 HydrophobicContact SD-CG 4.07Å; K329-M415 PolarHBondContact N-O 3.26Å; Q403-M415 PolarHBondContact NE2-O 2.94Å; I413-M415 HydrophobicContact CG2-SD 3.9Å; I413-M415 PolarHBondContact O-N 3.08Å; M415-W417 PolarHBondContact O-N 3.14Å
416D83.7Confident86.3Confident25 Ų2556 Ų5613%0.13428%0.277CS..  trans-81.24.8174.5-69.7-47000112.9R400 Y404R400-D416 IonicContact CZ-OD1 3.43Å; R400-D416 IonicContact NE-OD1 2.64Å; R400-D416 PolarHBondContact NE-OD1 2.81Å; R400-D416 VanDerWaalsContact NE-OD1 3.15Å; R400-D416 IonicContact NH2-OD1 3.88Å; R400-D416 PolarHBondContact NH2-OD1 3.3Å; R400-D416 IonicContact NH2-OD2 2.83Å; R400-D416 PolarHBondContact NH2-OD2 3.18Å; Y404-D416 PolarHBondContact OH-OD1 3.39Å
417W85.3Confident85.5Confident31 Ų3162.7 Ų62.712%0.11731%0.306CS..SBendtrans-99.1141.6-173.3-62111000113.1L85 V124 K329 M415 L421 L430L85-W417 HydrophobicContact CB-CH2 4.24Å; L85-W417 HydrophobicContact CB-CZ2 4.09Å; L85-W417 WeakPolarHBondContact O-CZ2 3.46Å; V124-W417 HydrophobicContact CG2-CB 3.99Å; V124-W417 VanDerWaalsContact CG2-CD1 3.45Å; V124-W417 HydrophobicContact CG2-CD2 4.01Å; V124-W417 HydrophobicContact CG2-CG 3.54Å; K329-W417 WeakPolarHBondContact CB-O 3.41Å; K329-W417 PolarHBondContact N-O 3.19Å; M415-W417 PolarHBondContact O-N 3.14Å; W417-L421 HydrophobicContact CB-CD1 4.22Å; W417-L421 HydrophobicContact CD2-CD1 4.3Å; W417-L421 HydrophobicContact CE3-CD1 3.67Å; W417-L421 HydrophobicContact CZ3-CD1 4.43Å; W417-L430 HydrophobicContact CZ3-CD1 4.31Å
418D84.8Confident84.8Confident49 Ų4967.7 Ų67.726%0.26233%0.332SS..  trans-75.6133.1173.1-166.2-39.1000110.4E420 L421D418-E420 PolarHBondContact O-N 3.28Å; D418-E420 PolarHBondContact OD1-N 3.37Å; D418-L421 WeakPolarHBondContact O-CB 3.21Å; D418-L421 WeakPolarHBondContact O-CG 3.16Å; D418-L421 PolarHBondContact O-N 3.08Å; D418-L421 VanDerWaalsContact O-N 3.15Å
419G82.8Confident84.2Confident3 Ų364.4 Ų64.43%0.03132%0.323CS..G310 helixtrans-64.2-17.8179.300000114.4F128 L421 K422F128-G419 WeakPolarHBondContact CZ-O 3.43Å; G419-L421 PolarHBondContact O-N 3.32Å; G419-K422 WeakPolarHBondContact O-CB 3.31Å; G419-K422 PolarHBondContact O-N 3.46Å
420E82.1Confident83.4Confident86 Ų8663.3 Ų63.340%0.40232%0.315SS..G310 helixtrans-65.3-18.6174.1-73-177.1-171.600113.7K331 D418 K422 R423 N424K331-E420 IonicContact NZ-OE1 3.12Å; K331-E420 PolarHBondContact NZ-OE1 3.15Å; D418-E420 PolarHBondContact O-N 3.28Å; D418-E420 PolarHBondContact OD1-N 3.37Å; E420-K422 PolarHBondContact O-N 3.34Å; E420-K422 VanDerWaalsContact O-N 3.09Å; E420-R423 PolarHBondContact O-N 3.13Å; E420-N424 PolarHBondContact O-N 3.2Å
421L82.8Confident82.9Confident43 Ų4368.6 Ų68.623%0.22534%0.336CS..G310 helixtrans-60.4-17.8173.4-67.8174.3000112.9V124 W417 D418 G419 R423 N424 A426V124-L421 HydrophobicContact CG1-CB 4.29Å; W417-L421 HydrophobicContact CB-CD1 4.22Å; W417-L421 HydrophobicContact CD2-CD1 4.3Å; W417-L421 HydrophobicContact CE3-CD1 3.67Å; W417-L421 HydrophobicContact CZ3-CD1 4.43Å; D418-L421 WeakPolarHBondContact O-CB 3.21Å; D418-L421 WeakPolarHBondContact O-CG 3.16Å; D418-L421 PolarHBondContact O-N 3.08Å; D418-L421 VanDerWaalsContact O-N 3.15Å; G419-L421 PolarHBondContact O-N 3.32Å; L421-R423 PolarHBondContact O-N 3.37Å; L421-N424 WeakPolarHBondContact CA-O 3.36Å; L421-A426 HydrophobicContact CD2-CB 4.02Å
422K78Confident82.6Confident47 Ų4774.7 Ų74.720%0.20436%0.355CS..G310 helixtrans-57.3-35.2169.1-172.9-166.4-175.7169.40112.5F128 N358 G419 E420F128-K422 HydrophobicContact CB-CD 4.25Å; F128-K422 HydrophobicContact CB-CG 4.27Å; F128-K422 HydrophobicContact CD1-CB 4.18Å; F128-K422 HydrophobicContact CD1-CD 3.45Å; F128-K422 VanDerWaalsContact CD1-CD 3.45Å; F128-K422 HydrophobicContact CD1-CG 3.89Å; F128-K422 HydrophobicContact CD2-CB 4.09Å; F128-K422 HydrophobicContact CD2-CG 4.12Å; F128-K422 HydrophobicContact CE1-CB 3.92Å; F128-K422 HydrophobicContact CE1-CD 3.77Å; F128-K422 HydrophobicContact CE1-CG 4.13Å; F128-K422 HydrophobicContact CE2-CB 3.9Å; F128-K422 HydrophobicContact CE2-CG 4.41Å; F128-K422 HydrophobicContact CG-CB 4.21Å; F128-K422 HydrophobicContact CG-CD 3.86Å; F128-K422 HydrophobicContact CG-CG 3.83Å; F128-K422 HydrophobicContact CZ-CB 3.8Å; F128-K422 HydrophobicContact CZ-CG 4.41Å; N358-K422 PolarHBondContact OD1-NZ 3.38Å; G419-K422 WeakPolarHBondContact O-CB 3.31Å; G419-K422 PolarHBondContact O-N 3.46Å; E420-K422 PolarHBondContact O-N 3.34Å; E420-K422 VanDerWaalsContact O-N 3.09Å
423R77.2Confident82.1Confident156 Ų15675.5 Ų75.559%0.58936%0.364SS*.THydrogen-bonded Turntrans-116.7-24.3-170.8-63.4180-178.5146.71.4112.9S359 E420 L421S359-R423 PolarHBondContact OG-NH2 2.9Å; S359-R423 VanDerWaalsContact OG-NH2 3.12Å; E420-R423 PolarHBondContact O-N 3.13Å; L421-R423 PolarHBondContact O-N 3.37Å
424N81Confident81.6Confident92 Ų9274.5 Ų74.549%0.49236%0.358SS..SBendtrans-116.8149-174.3-64.9-32.3000110.8E420 L421E420-N424 PolarHBondContact O-N 3.2Å; L421-N424 WeakPolarHBondContact CA-O 3.36Å
425R79.8Confident81.4Confident241 Ų24178.4 Ų78.491%0.90937%0.372SS*.PPolyproline II helixtrans-64.7149.9169.9-69.4-175.5176.9-175.4-0.8110.4K427R425-K427 PolarHBondContact O-N 2.95Å
426A77.3Confident81.1Confident61 Ų6184.1 Ų84.150%0.50440%0.397SS..PPolyproline II helixtrans-55.3137.5170.400000110.5L421 L430L421-A426 HydrophobicContact CD2-CB 4.02Å; A426-L430 HydrophobicContact CB-CD1 4.22Å
427K80.1Confident80.9Confident141 Ų14185.1 Ų85.161%0.61340%0.399SS*.PPolyproline II helixtrans-64.3143.5177.6-65.4178.1-178171.50109.9R425 T429 L430R425-K427 PolarHBondContact O-N 2.95Å; K427-T429 WeakPolarHBondContact CB-OG1 3.47Å; K427-T429 PolarHBondContact O-N 3.32Å; K427-T429 VanDerWaalsContact O-N 3.07Å; K427-L430 WeakPolarHBondContact O-CB 3Å; K427-L430 PolarHBondContact O-N 3.49Å
428D81.8Confident80.6Confident106 Ų10685.8 Ų85.857%0.56741%0.406SS*.Hα-helixtrans-57.4-28.1177.6-69.9-37.9000112.5L430 K431 Y432D428-L430 VanDerWaalsContact C-N 3.25Å; D428-L430 PolarHBondContact O-N 3.07Å; D428-K431 WeakPolarHBondContact O-CB 3.27Å; D428-K431 PolarHBondContact O-N 3.47Å; D428-K431 VanDerWaalsContact O-N 3.14Å; D428-Y432 HydrophobicContact CB-CD2 4.16Å; D428-Y432 HydrophobicContact CB-CE2 3.78Å; D428-Y432 WeakPolarHBondContact O-CD2 3.3Å; D428-Y432 PolarHBondContact O-N 2.84Å
429T80.8Confident80.4Confident96 Ų9685.7 Ų85.759%0.58941%0.409SS*.Hα-helixtrans-57-35.817455.20000113.4K427 Y432 A433K427-T429 WeakPolarHBondContact CB-OG1 3.47Å; K427-T429 PolarHBondContact O-N 3.32Å; K427-T429 VanDerWaalsContact O-N 3.07Å; T429-Y432 PolarHBondContact O-N 3.37Å; T429-A433 WeakPolarHBondContact O-CB 2.99Å; T429-A433 PolarHBondContact O-N 3.45Å
430L77.2Confident80.2Confident21 Ų2189.1 Ų89.111%0.1142%0.424CS..Hα-helixtrans-70.4-43177.5-60.6172.7000110.7E87 W417 A426 K427 D428 Y432 A433 Q434E87-L430 HydrophobicContact CB-CD2 4.2Å; E87-L430 HydrophobicContact CG-CD2 3.38Å; W417-L430 HydrophobicContact CZ3-CD1 4.31Å; A426-L430 HydrophobicContact CB-CD1 4.22Å; K427-L430 WeakPolarHBondContact O-CB 3Å; K427-L430 PolarHBondContact O-N 3.49Å; D428-L430 VanDerWaalsContact C-N 3.25Å; D428-L430 PolarHBondContact O-N 3.07Å; L430-Y432 VanDerWaalsContact C-N 3.33Å; L430-Y432 PolarHBondContact O-N 3.48Å; L430-A433 PolarHBondContact O-N 2.94Å; L430-Q434 WeakPolarHBondContact O-CG 3.47Å; L430-Q434 PolarHBondContact O-N 3.43Å; L430-Q434 VanDerWaalsContact O-N 3.08Å
431K81.4Confident79.9Confident116 Ų11687.7 Ų87.750%0.50442%0.416SS..Hα-helixtrans-59.7-44.9173.6-179.3-177.9175.6-174.40110.8D428 Q434 Q435D428-K431 WeakPolarHBondContact O-CB 3.27Å; D428-K431 PolarHBondContact O-N 3.47Å; D428-K431 VanDerWaalsContact O-N 3.14Å; K431-Q434 PolarHBondContact O-N 2.91Å; K431-Q435 WeakPolarHBondContact O-CG 3.47Å; K431-Q435 PolarHBondContact O-N 3.37Å; K431-Q435 VanDerWaalsContact O-CG 3.3Å
432Y83.1Confident79.6Confident144 Ų14488 Ų8857%0.56542%0.419SS*.Hα-helixtrans-64.6-38.7176.7-70.2-55.5000112.8D428 T429 L430 Q434 Q435 K436D428-Y432 HydrophobicContact CB-CD2 4.16Å; D428-Y432 HydrophobicContact CB-CE2 3.78Å; D428-Y432 WeakPolarHBondContact O-CD2 3.3Å; D428-Y432 PolarHBondContact O-N 2.84Å; T429-Y432 PolarHBondContact O-N 3.37Å; L430-Y432 VanDerWaalsContact C-N 3.33Å; L430-Y432 PolarHBondContact O-N 3.48Å; Y432-Q434 VanDerWaalsContact C-N 3.32Å; Y432-Q434 PolarHBondContact O-N 3.24Å; Y432-Q435 PolarHBondContact O-N 2.98Å; Y432-K436 VanDerWaalsContact O-CB 3.27Å; Y432-K436 WeakPolarHBondContact O-CB 3.32Å; Y432-K436 PolarHBondContact O-N 3.46Å
433A79.6Confident79.6Confident31 Ų3189 Ų8926%0.25643%0.426SS..Hα-helixtrans-61.3-41.9175.600000111.6T429 L430 K436 Y437T429-A433 WeakPolarHBondContact O-CB 2.99Å; T429-A433 PolarHBondContact O-N 3.45Å; L430-A433 PolarHBondContact O-N 2.94Å; A433-K436 PolarHBondContact O-N 2.82Å; A433-Y437 PolarHBondContact O-N 3.34Å
434Q78.7Confident79.2Confident45 Ų4584.6 Ų84.621%0.2142%0.418CS..Hα-helixtrans-67.1-44.4175.5-65.9170.25.200112L85 V90 L430 K431 Y432 K436 Y437 V438L85-Q434 HydrophobicContact CD2-CG 3.99Å; V90-Q434 HydrophobicContact CG2-CB 4.31Å; V90-Q434 HydrophobicContact CG2-CG 4.18Å; L430-Q434 WeakPolarHBondContact O-CG 3.47Å; L430-Q434 PolarHBondContact O-N 3.43Å; L430-Q434 VanDerWaalsContact O-N 3.08Å; K431-Q434 PolarHBondContact O-N 2.91Å; Y432-Q434 VanDerWaalsContact C-N 3.32Å; Y432-Q434 PolarHBondContact O-N 3.24Å; Q434-K436 VanDerWaalsContact C-N 3.31Å; Q434-K436 PolarHBondContact O-N 3.3Å; Q434-Y437 WeakPolarHBondContact O-CB 3.44Å; Q434-Y437 PolarHBondContact O-N 3.38Å; Q434-V438 WeakPolarHBondContact O-CG2 3.46Å; Q434-V438 PolarHBondContact O-N 3.25Å
435Q83.4Confident78.5Confident97 Ų9782.7 Ų82.745%0.45342%0.415SS..Hα-helixtrans-60.9-40.8175.6-73.7176.4-19.400112K431 Y432 V438 S439K431-Q435 WeakPolarHBondContact O-CG 3.47Å; K431-Q435 PolarHBondContact O-N 3.37Å; K431-Q435 VanDerWaalsContact O-CG 3.3Å; Y432-Q435 PolarHBondContact O-N 2.98Å; Q435-V438 PolarHBondContact O-N 3.17Å; Q435-S439 WeakPolarHBondContact O-CB 3.28Å; Q435-S439 PolarHBondContact O-OG 3.22Å; Q435-S439 PolarHBondContact O-N 3.05Å
436K83.3Confident77.8Confident136 Ų13677.6 Ų77.659%0.59141%0.406SS*.Hα-helixtrans-64.6-40.1175.5-176.7177.3179.6179.30111.8Y432 A433 Q434 S439 Q440Y432-K436 VanDerWaalsContact O-CB 3.27Å; Y432-K436 WeakPolarHBondContact O-CB 3.32Å; Y432-K436 PolarHBondContact O-N 3.46Å; A433-K436 PolarHBondContact O-N 2.82Å; Q434-K436 VanDerWaalsContact C-N 3.31Å; Q434-K436 PolarHBondContact O-N 3.3Å; K436-S439 PolarHBondContact O-N 2.96Å; K436-S439 PolarHBondContact O-OG 3.5Å; K436-Q440 WeakPolarHBondContact O-CG 3.4Å; K436-Q440 PolarHBondContact O-N 2.89Å
437Y78.7Confident76.8Confident45 Ų4577.3 Ų77.318%0.17640%0.4CS..Hα-helixtrans-61.4-50.3174.1-179.3-86.7000110.8V90 V92 A433 Q434 S439 Q440 Y441V90-Y437 HydrophobicContact CB-CD1 3.42Å; V90-Y437 VanDerWaalsContact CB-CD1 3.42Å; V90-Y437 HydrophobicContact CB-CD2 4.07Å; V90-Y437 HydrophobicContact CB-CE1 3.58Å; V90-Y437 HydrophobicContact CB-CE2 4.21Å; V90-Y437 HydrophobicContact CB-CG 3.66Å; V90-Y437 HydrophobicContact CG1-CD1 4.07Å; V90-Y437 HydrophobicContact CG1-CE1 3.88Å; V90-Y437 HydrophobicContact CG2-CD1 3.64Å; V90-Y437 HydrophobicContact CG2-CE1 4.29Å; V90-Y437 HydrophobicContact CG2-CG 3.79Å; V90-Y437 WeakPolarHBondContact O-CE2 3.43Å; V92-Y437 HydrophobicContact CG2-CE1 3.8Å; V92-Y437 WeakPolarHBondContact CG2-OH 3.41Å; A433-Y437 PolarHBondContact O-N 3.34Å; Q434-Y437 WeakPolarHBondContact O-CB 3.44Å; Q434-Y437 PolarHBondContact O-N 3.38Å; Y437-S439 VanDerWaalsContact C-N 3.31Å; Y437-S439 PolarHBondContact O-N 2.97Å; Y437-Q440 PolarHBondContact O-N 3.49Å; Y437-Q440 WeakPolarHBondContact O-CB 3.32Å; Y437-Y441 PolarHBondContact OH-OH 2.97Å; Y437-Y441 WeakPolarHBondContact O-CD2 3.42Å; Y437-Y441 VanDerWaalsContact O-CD2 3.28Å; Y437-Y441 AromaticContact CZ-CZ 3.98Å; Y437-Y441 AromaticContact CZ-CE2 3.38Å; Y437-Y441 HydrophobicContact CG-CE2 4.42Å; Y437-Y441 HydrophobicContact CE2-CE2 3.81Å; Y437-Y441 VanDerWaalsContact CE1-CE2 3.49Å; Y437-Y441 HydrophobicContact CE1-CE2 3.49Å; Y437-Y441 AromaticContact CE2-CE2 3.81Å; Y437-Y441 HydrophobicContact CD1-CD2 4.24Å; Y437-Y441 HydrophobicContact CD1-CE2 4.03Å; Y437-Y441 HydrophobicContact CD2-CE2 4.3Å; Y437-Y441 AromaticContact CE1-CD2 3.94Å; Y437-Y441 HydrophobicContact CE1-CD2 3.94Å; Y437-Y441 AromaticContact CE1-CE2 3.49Å
438V78.6Confident75.4Confident45 Ų4575.2 Ų75.227%0.27339%0.392SS..Hα-helixtrans-61.2-40.7-1801730000111.3L111 Q434 Q435 Q440 Y441 V442L111-V438 HydrophobicContact CD1-CG1 3.93Å; L111-V438 HydrophobicContact CD2-CG2 3.99Å; Q434-V438 WeakPolarHBondContact O-CG2 3.46Å; Q434-V438 PolarHBondContact O-N 3.25Å; Q435-V438 PolarHBondContact O-N 3.17Å; V438-Q440 VanDerWaalsContact C-N 3.27Å; V438-Q440 PolarHBondContact O-N 3.31Å; V438-Y441 PolarHBondContact O-N 3.4Å; V438-V442 HydrophobicContact CG1-CG2 4.1Å; V438-V442 VanDerWaalsContact O-CG2 3.32Å; V438-V442 WeakPolarHBondContact O-CG2 3.2Å; V438-V442 PolarHBondContact O-N 2.99Å
439S81.8Confident74.1Confident47 Ų4774.2 Ų74.233%0.32939%0.394SS..Hα-helixtrans-63.8-31-179.472.20000113.2Q435 K436 Y437 Y441 V442 I443Q435-S439 WeakPolarHBondContact O-CB 3.28Å; Q435-S439 PolarHBondContact O-OG 3.22Å; Q435-S439 PolarHBondContact O-N 3.05Å; K436-S439 PolarHBondContact O-N 2.96Å; K436-S439 PolarHBondContact O-OG 3.5Å; Y437-S439 VanDerWaalsContact C-N 3.31Å; Y437-S439 PolarHBondContact O-N 2.97Å; S439-Y441 PolarHBondContact O-N 3.25Å; S439-V442 PolarHBondContact O-N 3.29Å; S439-I443 PolarHBondContact O-N 3.38Å; S439-I443 WeakPolarHBondContact O-CG1 3.3Å; S439-I443 WeakPolarHBondContact O-CB 3.41Å; S439-I443 VanDerWaalsContact O-CG1 3.28Å
440Q78.7Confident72.6Confident75 Ų7574.2 Ų74.235%0.3540%0.398SS..Hα-helixtrans-63.3-24.7177-72.4170.3-7.800113.7R101 K436 Y437 V438R101-Q440 VanDerWaalsContact CD-O 3.3Å; R101-Q440 WeakPolarHBondContact CD-O 3.39Å; K436-Q440 WeakPolarHBondContact O-CG 3.4Å; K436-Q440 PolarHBondContact O-N 2.89Å; Y437-Q440 PolarHBondContact O-N 3.49Å; Y437-Q440 WeakPolarHBondContact O-CB 3.32Å; V438-Q440 VanDerWaalsContact C-N 3.27Å; V438-Q440 PolarHBondContact O-N 3.31Å
441Y74.6Confident71Confident57 Ų5777.9 Ų77.922%0.22443%0.425CS..Hα-helixtrans-95.9-25.3178-67.8-81.2000113.1V97 P98 G102 Y437 V438 S439V97-Y441 HydrophobicContact CG1-CE1 3.8Å; P98-Y441 HydrophobicContact CG-CD1 3.72Å; P98-Y441 HydrophobicContact CG-CE1 4.36Å; G102-Y441 PolarHBondContact N-O 3.07Å; Y437-Y441 PolarHBondContact OH-OH 2.97Å; Y437-Y441 WeakPolarHBondContact O-CD2 3.42Å; Y437-Y441 VanDerWaalsContact O-CD2 3.28Å; Y437-Y441 AromaticContact CZ-CZ 3.98Å; Y437-Y441 AromaticContact CZ-CE2 3.38Å; Y437-Y441 HydrophobicContact CG-CE2 4.42Å; Y437-Y441 HydrophobicContact CE2-CE2 3.81Å; Y437-Y441 VanDerWaalsContact CE1-CE2 3.49Å; Y437-Y441 HydrophobicContact CE1-CE2 3.49Å; Y437-Y441 AromaticContact CE2-CE2 3.81Å; Y437-Y441 HydrophobicContact CD1-CD2 4.24Å; Y437-Y441 HydrophobicContact CD1-CE2 4.03Å; Y437-Y441 HydrophobicContact CD2-CE2 4.3Å; Y437-Y441 AromaticContact CE1-CD2 3.94Å; Y437-Y441 HydrophobicContact CE1-CD2 3.94Å; Y437-Y441 AromaticContact CE1-CE2 3.49Å; V438-Y441 PolarHBondContact O-N 3.4Å; S439-Y441 PolarHBondContact O-N 3.25Å
442V76.9Confident69Low48 Ų4881.2 Ų81.229%0.29146%0.456SS..Hα-helixtrans-78.3-31.6179175.50000111.3G102 F103 V438 S439G102-V442 CarbonylContact C-O 3.58Å; G102-V442 WeakPolarHBondContact CA-O 3.28Å; F103-V442 HydrophobicContact CB-CG1 4.08Å; F103-V442 HydrophobicContact CD2-CG1 4.11Å; F103-V442 PolarHBondContact N-O 2.92Å; V438-V442 HydrophobicContact CG1-CG2 4.1Å; V438-V442 VanDerWaalsContact O-CG2 3.32Å; V438-V442 WeakPolarHBondContact O-CG2 3.2Å; V438-V442 PolarHBondContact O-N 2.99Å; S439-V442 PolarHBondContact O-N 3.29Å
443I76.8Confident68.3Low69 Ų6978.1 Ų78.135%0.35445%0.45SS..SBendtrans-88.4121.1-177.7-62.6170.1000110.2R101 S439 S447R101-I443 WeakPolarHBondContact CB-O 3.45Å; S439-I443 PolarHBondContact O-N 3.38Å; S439-I443 WeakPolarHBondContact O-CG1 3.3Å; S439-I443 WeakPolarHBondContact O-CB 3.41Å; S439-I443 VanDerWaalsContact O-CG1 3.28Å; I443-S447 WeakPolarHBondContact CG2-OG 3.05Å
444P70.3Confident67.7Low63 Ų6380.6 Ų80.641%0.40946%0.46SS..  trans-58.4145.2177.3-21.732000112.8D446 S447P444-D446 VanDerWaalsContact C-N 3.31Å; P444-D446 PolarHBondContact O-N 3.31Å; P444-S447 PolarHBondContact O-N 2.66Å; P444-S447 PolarHBondContact O-OG 3.23Å
445A66.6Low67.1Low53 Ų5382.6 Ų82.644%0.43847%0.474SS..THydrogen-bonded Turntrans-58.1-40.6-177.600000113S447 Q448A445-S447 PolarHBondContact O-N 3.09Å; A445-S447 VanDerWaalsContact O-N 3.09Å; A445-Q448 PolarHBondContact O-N 2.88Å
446D63.7Low66.1Low134 Ų13481.7 Ų81.772%0.71748%0.475SS*.Hα-helixtrans-61-23.3-177-57-22000113.5P444 Q448 S449P444-D446 VanDerWaalsContact C-N 3.31Å; P444-D446 PolarHBondContact O-N 3.31Å; D446-Q448 VanDerWaalsContact C-N 3.32Å; D446-Q448 PolarHBondContact O-N 3.35Å; D446-S449 PolarHBondContact O-OG 3.31Å
447S56.2Low65.1Low55 Ų5578.3 Ų78.339%0.38547%0.468SS..Hα-helixtrans-78.1-12.9178.464.70000114.2I443 P444 A445 S450I443-S447 WeakPolarHBondContact CG2-OG 3.05Å; P444-S447 PolarHBondContact O-N 2.66Å; P444-S447 PolarHBondContact O-OG 3.23Å; A445-S447 PolarHBondContact O-N 3.09Å; A445-S447 VanDerWaalsContact O-N 3.09Å; S447-S450 PolarHBondContact O-OG 3.02Å
448Q52.4Low64.2Low96 Ų9680.5 Ų80.545%0.44949%0.488SS..Hα-helixtrans-85.6-32.2174.1-69.6-173.5-7.200112.2A445 D446 S450 S451A445-Q448 PolarHBondContact O-N 2.88Å; D446-Q448 VanDerWaalsContact C-N 3.32Å; D446-Q448 PolarHBondContact O-N 3.35Å; Q448-S450 VanDerWaalsContact C-N 3.25Å; Q448-S450 PolarHBondContact O-N 3.49Å; Q448-S451 PolarHBondContact O-N 3.34Å; Q448-S451 PolarHBondContact O-OG 2.93Å
449S52.9Low63.1Low85 Ų8583.1 Ų83.159%0.59450%0.503SS*.Hα-helixtrans-69.9-16.7179.241.50000114.5D446 S451D446-S449 PolarHBondContact O-OG 3.31Å; S449-S451 VanDerWaalsContact C-N 3.32Å
450S50.7Low61.7Low97 Ų9785.8 Ų85.868%0.67852%0.516SS*.THydrogen-bonded Turntrans-88.78.2177.3470000114.1S447 Q448S447-S450 PolarHBondContact O-OG 3.02Å; Q448-S450 VanDerWaalsContact C-N 3.25Å; Q448-S450 PolarHBondContact O-N 3.49Å
451S43Very low60.3Low97 Ų9786.8 Ų86.868%0.67853%0.53SS*.THydrogen-bonded Turntrans-115.59.6-17665.80000116Q448 S449Q448-S451 PolarHBondContact O-N 3.34Å; Q448-S451 PolarHBondContact O-OG 2.93Å; S449-S451 VanDerWaalsContact C-N 3.32Å
452T39.6Very low59Low187 Ų18789.5 Ų89.5100%1.14756%0.558SS**  trans-105.70161.246.70000109.2

Retrieved 452 of 452 residues in 528.8 ms (Link to these results)

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