C4PZS5_SCHMA Loading...

60S acidic ribosomal protein P0

Ribosomal protein P0 is the functional equivalent of E.coli protein L10.

AlphaFold DB , UniProt , Accession C4PZS5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 318 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M46.1Very low77.7Confident244 Ų244129.9 Ų129.9100%1.20263%0.625SS**  0119.10-106.7175.5175.200107.9R3M1-R3 PolarHBondContact O-N 3.21Å
2V61.2Low78.7Confident135 Ų135122.5 Ų122.582%0.81861%0.608SS**  trans-53.6129.5172.6178.30000108Q4V2-Q4 VanDerWaalsContact C-N 3.27Å; V2-Q4 PolarHBondContact O-N 2.76Å
3R65Low79.4Confident243 Ų243114.7 Ų114.792%0.91757%0.568SS**  trans-67.890.7176.2-172.5177.7-176.1172.70.6107.3M1M1-R3 PolarHBondContact O-N 3.21Å
4Q77.3Confident80.1Confident115 Ų115109.7 Ų109.754%0.53754%0.541SS..  trans-49.8146174.5-73.1178.1-9.300109.6V2 E8V2-Q4 VanDerWaalsContact C-N 3.27Å; V2-Q4 PolarHBondContact O-N 2.76Å; Q4-E8 HydrophobicContact CB-CB 4.19Å
5S85.3Confident80.8Confident50 Ų50112.5 Ų112.535%0.3555%0.549SS..  trans-59.1148.2172.875.10000109.2S7 E8 W9S5-S7 PolarHBondContact O-N 2.69Å; S5-E8 WeakPolarHBondContact CB-OE1 3.39Å; S5-E8 PolarHBondContact N-OE2 2.84Å; S5-E8 PolarHBondContact O-N 2.97Å; S5-E8 VanDerWaalsContact OG-CG 3.31Å; S5-E8 WeakPolarHBondContact OG-CG 3.49Å; S5-E8 PolarHBondContact OG-N 3.03Å; S5-E8 PolarHBondContact OG-OE1 2.83Å; S5-W9 PolarHBondContact O-N 3.35Å
6R82.3Confident81.4Confident188 Ų188111.8 Ų111.871%0.70954%0.542SS*.Hα-helixtrans-56.2-26.2178.8-174.1178.5-176.7177.42112.1K10R6-K10 VanDerWaalsContact O-CG 3.29Å; R6-K10 WeakPolarHBondContact O-CG 3.42Å; R6-K10 PolarHBondContact O-N 3.35Å
7S86Confident82Confident89 Ų89105.3 Ų105.362%0.62251%0.511SS*.Hα-helixtrans-72.1-48.8176.1-162.40000111.6S5 W9 K10 A11S5-S7 PolarHBondContact O-N 2.69Å; S7-W9 PolarHBondContact O-N 3.27Å; S7-K10 PolarHBondContact O-N 2.9Å; S7-A11 WeakPolarHBondContact O-CB 3.33Å; S7-A11 PolarHBondContact O-N 3.27Å
8E89.5Confident82.4Confident107 Ų107101.8 Ų101.850%0.549%0.494SS..Hα-helixtrans-59.2-44.2175.9-75.6150.7-132.800112.2Q4 S5 K10 A11 G12Q4-E8 HydrophobicContact CB-CB 4.19Å; S5-E8 WeakPolarHBondContact CB-OE1 3.39Å; S5-E8 PolarHBondContact N-OE2 2.84Å; S5-E8 PolarHBondContact O-N 2.97Å; S5-E8 VanDerWaalsContact OG-CG 3.31Å; S5-E8 WeakPolarHBondContact OG-CG 3.49Å; S5-E8 PolarHBondContact OG-N 3.03Å; S5-E8 PolarHBondContact OG-OE1 2.83Å; E8-K10 VanDerWaalsContact C-N 3.32Å; E8-K10 PolarHBondContact O-N 2.88Å; E8-A11 PolarHBondContact O-N 3.37Å; E8-G12 PolarHBondContact O-N 3.41Å
9W86.9Confident82.8Confident142 Ų142102.9 Ų102.954%0.53850%0.496SS..Hα-helixtrans-61.7-41.8178.517976.6000111.9S5 S7 G12 Y13 L60S5-W9 PolarHBondContact O-N 3.35Å; S7-W9 PolarHBondContact O-N 3.27Å; W9-G12 PolarHBondContact O-N 2.88Å; W9-Y13 PolarHBondContact O-N 2.74Å; W9-L60 HydrophobicContact CZ3-CD1 4.44Å
10K86.8Confident83.2Confident70 Ų7098.1 Ų98.130%0.30447%0.473SS..Hα-helixtrans-62.6-50.7173.1-74.8174.3-177.61770110.1R6 S7 E8 G12 Y13 F14 L60R6-K10 VanDerWaalsContact O-CG 3.29Å; R6-K10 WeakPolarHBondContact O-CG 3.42Å; R6-K10 PolarHBondContact O-N 3.35Å; S7-K10 PolarHBondContact O-N 2.9Å; E8-K10 VanDerWaalsContact C-N 3.32Å; E8-K10 PolarHBondContact O-N 2.88Å; K10-G12 VanDerWaalsContact C-N 3.26Å; K10-G12 PolarHBondContact O-N 3.22Å; K10-Y13 CarbonylContact O-C 3.55Å; K10-Y13 WeakPolarHBondContact O-CA 3.46Å; K10-Y13 WeakPolarHBondContact O-CB 3.38Å; K10-Y13 PolarHBondContact O-N 3.01Å; K10-F14 HydrophobicContact CB-CD2 4.5Å; K10-F14 VanDerWaalsContact O-CD2 3.26Å; K10-F14 WeakPolarHBondContact O-CD2 3.43Å; K10-F14 PolarHBondContact O-N 3.46Å; K10-L60 HydrophobicContact CD-CD2 4.26Å; K10-L60 HydrophobicContact CG-CD1 4.26Å; K10-L60 HydrophobicContact CG-CD2 4.37Å
11A88.4Confident83.3Confident46 Ų4694.4 Ų94.438%0.3846%0.455SS..Hα-helixtrans-57.2-39.718000000112.3S7 E8 F14 K15S7-A11 WeakPolarHBondContact O-CB 3.33Å; S7-A11 PolarHBondContact O-N 3.27Å; E8-A11 PolarHBondContact O-N 3.37Å; A11-F14 PolarHBondContact O-N 2.86Å; A11-K15 WeakPolarHBondContact O-CG 2.97Å; A11-K15 PolarHBondContact O-N 3.25Å
12G89.5Confident85.2Confident41 Ų4186.7 Ų86.742%0.42343%0.425SS..Hα-helixtrans-63.8-41.417300000112.7E8 W9 K10 K16E8-G12 PolarHBondContact O-N 3.41Å; W9-G12 PolarHBondContact O-N 2.88Å; K10-G12 VanDerWaalsContact C-N 3.26Å; K10-G12 PolarHBondContact O-N 3.22Å; G12-K16 WeakPolarHBondContact O-CB 3.44Å; G12-K16 PolarHBondContact O-N 3.06Å
13Y88.1Confident86.5Confident21 Ų2184.4 Ų84.48%0.08241%0.405CS..Hα-helixtrans-64-43.5173.6-178.6-98.7000112.7W9 K10 K16 L17 V54 L55 G56 L60 I61W9-Y13 PolarHBondContact O-N 2.74Å; K10-Y13 CarbonylContact O-C 3.55Å; K10-Y13 WeakPolarHBondContact O-CA 3.46Å; K10-Y13 WeakPolarHBondContact O-CB 3.38Å; K10-Y13 PolarHBondContact O-N 3.01Å; Y13-K16 PolarHBondContact O-N 2.9Å; Y13-L17 HydrophobicContact CE1-CD1 3.86Å; Y13-L17 PolarHBondContact O-N 3.39Å; Y13-L17 VanDerWaalsContact OH-CD1 3.31Å; Y13-L17 WeakPolarHBondContact OH-CD1 3.44Å; Y13-V54 HydrophobicContact CE2-CG1 3.88Å; Y13-L55 WeakPolarHBondContact CE2-O 3.49Å; Y13-L55 PolarHBondContact OH-O 3.4Å; Y13-G56 VanDerWaalsContact OH-CA 3.27Å; Y13-G56 WeakPolarHBondContact OH-CA 3.18Å; Y13-G56 PolarHBondContact OH-N 3.44Å; Y13-L60 HydrophobicContact CD1-CB 4.47Å; Y13-L60 HydrophobicContact CE1-CB 4.3Å; Y13-I61 HydrophobicContact CE1-CG1 4.3Å; Y13-I61 VanDerWaalsContact OH-CG1 3.3Å; Y13-I61 WeakPolarHBondContact OH-CG1 3.41Å
14F89.1Confident87.5Confident45 Ų4574.1 Ų74.120%0.19737%0.367CS..Hα-helixtrans-56.2-52.2175.1-90.8-93.5000110.6K10 A11 K16 L17 E18 L60 K63 V64K10-F14 HydrophobicContact CB-CD2 4.5Å; K10-F14 VanDerWaalsContact O-CD2 3.26Å; K10-F14 WeakPolarHBondContact O-CD2 3.43Å; K10-F14 PolarHBondContact O-N 3.46Å; A11-F14 PolarHBondContact O-N 2.86Å; F14-K16 VanDerWaalsContact C-N 3.31Å; F14-K16 PolarHBondContact O-N 3.38Å; F14-L17 PolarHBondContact O-N 2.9Å; F14-E18 WeakPolarHBondContact O-CB 3.42Å; F14-E18 VanDerWaalsContact O-CG 3.32Å; F14-E18 WeakPolarHBondContact O-CG 3.43Å; F14-E18 PolarHBondContact O-N 2.95Å; F14-L60 HydrophobicContact CE2-CD2 3.97Å; F14-L60 HydrophobicContact CZ-CD2 4.42Å; F14-K63 HydrophobicContact CE1-CB 4.06Å; F14-K63 HydrophobicContact CZ-CB 3.95Å; F14-V64 HydrophobicContact CD1-CB 4.3Å; F14-V64 HydrophobicContact CD1-CG2 3.28Å; F14-V64 HydrophobicContact CE1-CB 4.34Å; F14-V64 HydrophobicContact CE1-CG2 3.43Å; F14-V64 VanDerWaalsContact CE1-CG2 3.43Å; F14-V64 HydrophobicContact CG-CG2 3.9Å; F14-V64 HydrophobicContact CZ-CG2 4.17Å
15K91Very high87.9Confident152 Ų15273 Ų7366%0.66137%0.365SS*.Hα-helixtrans-59.6-40.9177.6-71.5-179.8-179.8-173.50112.6A11 K19A11-K15 WeakPolarHBondContact O-CG 2.97Å; A11-K15 PolarHBondContact O-N 3.25Å; K15-K19 WeakPolarHBondContact O-CB 3.42Å; K15-K19 PolarHBondContact O-N 3.39Å
16K90.5Very high88.2Confident100 Ų10072.9 Ų72.944%0.43536%0.358SS..Hα-helixtrans-63.7-46.3178.5-176.4173.8-179.1178.10111.4G12 Y13 F14 K19 H20G12-K16 WeakPolarHBondContact O-CB 3.44Å; G12-K16 PolarHBondContact O-N 3.06Å; Y13-K16 PolarHBondContact O-N 2.9Å; F14-K16 VanDerWaalsContact C-N 3.31Å; F14-K16 PolarHBondContact O-N 3.38Å; K16-K19 PolarHBondContact O-N 2.92Å; K16-H20 WeakPolarHBondContact CE-NE2 3.48Å; K16-H20 WeakPolarHBondContact CG-NE2 3.42Å; K16-H20 PolarHBondContact O-CD2 3.35Å; K16-H20 PolarHBondContact O-N 3.02Å; K16-H20 VanDerWaalsContact O-N 3.12Å
17L90.2Very high88.6Confident2 Ų264 Ų641%0.0133%0.326CS..Hα-helixtrans-70.4-41.1-178.5-161.6153.4000111.6Y13 F14 K19 H20 L21 V54 I61 V64Y13-L17 HydrophobicContact CE1-CD1 3.86Å; Y13-L17 PolarHBondContact O-N 3.39Å; Y13-L17 VanDerWaalsContact OH-CD1 3.31Å; Y13-L17 WeakPolarHBondContact OH-CD1 3.44Å; F14-L17 PolarHBondContact O-N 2.9Å; L17-K19 VanDerWaalsContact C-N 3.32Å; L17-K19 PolarHBondContact O-N 3.35Å; L17-H20 PolarHBondContact O-N 3.18Å; L17-L21 HydrophobicContact CD2-CD1 3.3Å; L17-L21 HydrophobicContact CD2-CD2 4.47Å; L17-L21 HydrophobicContact CD2-CG 3.64Å; L17-L21 WeakPolarHBondContact O-CG 3.5Å; L17-L21 PolarHBondContact O-N 3.29Å; L17-V54 HydrophobicContact CD1-CG1 4.43Å; L17-I61 HydrophobicContact CD1-CG1 4.07Å; L17-I61 HydrophobicContact CD1-CG2 4.48Å; L17-V64 HydrophobicContact CB-CG1 4.22Å; L17-V64 HydrophobicContact CB-CG2 4.47Å; L17-V64 HydrophobicContact CD2-CB 3.86Å; L17-V64 HydrophobicContact CD2-CG1 3.39Å; L17-V64 HydrophobicContact CD2-CG2 4.41Å; L17-V64 HydrophobicContact CG-CG1 4.32Å
18E89.2Confident88.9Confident43 Ų4359.8 Ų59.820%0.20130%0.296CS..Hα-helixtrans-56.7-45.9172.9-73.3174.9-179.600110.9F14 H20 L21 S22 V64 K67F14-E18 WeakPolarHBondContact O-CB 3.42Å; F14-E18 VanDerWaalsContact O-CG 3.32Å; F14-E18 WeakPolarHBondContact O-CG 3.43Å; F14-E18 PolarHBondContact O-N 2.95Å; E18-H20 PolarHBondContact O-N 3.33Å; E18-L21 PolarHBondContact O-N 2.71Å; E18-S22 PolarHBondContact O-N 3.11Å; E18-S22 PolarHBondContact O-OG 3.17Å; E18-V64 HydrophobicContact CG-CG1 3.67Å; E18-K67 WeakPolarHBondContact OE1-CD 3.23Å; E18-K67 IonicContact OE1-NZ 3.65Å; E18-K67 PolarHBondContact OE1-NZ 3.46Å; E18-K67 IonicContact OE2-NZ 2.72Å
19K90.9Very high89Confident123 Ų12354.7 Ų54.754%0.53527%0.272SS..Hα-helixtrans-58.3-46.6176.5-173.4-171.9175.4-160.30112.2K15 K16 L17 S22 E23K15-K19 WeakPolarHBondContact O-CB 3.42Å; K15-K19 PolarHBondContact O-N 3.39Å; K16-K19 PolarHBondContact O-N 2.92Å; L17-K19 VanDerWaalsContact C-N 3.32Å; L17-K19 PolarHBondContact O-N 3.35Å; K19-S22 PolarHBondContact O-N 2.99Å; K19-S22 PolarHBondContact O-OG 2.87Å; K19-E23 VanDerWaalsContact CE-OE2 3.29Å; K19-E23 WeakPolarHBondContact CE-OE2 3.49Å; K19-E23 IonicContact NZ-OE2 2.65Å; K19-E23 WeakPolarHBondContact O-CB 3.47Å; K19-E23 PolarHBondContact O-N 3.36Å
20H90.5Very high89.3Confident6 Ų648 Ų483%0.02825%0.246CC..Hα-helixtrans-70.7-34.9-178.9-66-49.4000113.1K16 L17 E18 S22 E23 F24 E52 V54 F90K16-H20 WeakPolarHBondContact CE-NE2 3.48Å; K16-H20 WeakPolarHBondContact CG-NE2 3.42Å; K16-H20 PolarHBondContact O-CD2 3.35Å; K16-H20 PolarHBondContact O-N 3.02Å; K16-H20 VanDerWaalsContact O-N 3.12Å; L17-H20 PolarHBondContact O-N 3.18Å; E18-H20 PolarHBondContact O-N 3.33Å; H20-S22 VanDerWaalsContact C-N 3.27Å; H20-S22 PolarHBondContact O-N 3.34Å; H20-E23 PolarHBondContact O-N 3.48Å; H20-F24 HydrophobicContact CB-CD2 4.17Å; H20-F24 AromaticContact ND1-CE2 3.59Å; H20-F24 WeakPolarHBondContact O-CB 3.25Å; H20-F24 WeakPolarHBondContact O-CD2 2.86Å; H20-F24 PolarHBondContact O-N 3.22Å; H20-E52 VanDerWaalsContact CE1-CD 3.5Å; H20-E52 IonicContact CE1-OE1 2.88Å; H20-E52 IonicContact CE1-OE2 3.3Å; H20-E52 PolarHBondContact CE1-OE2 2.97Å; H20-E52 IonicContact ND1-OE2 3.96Å; H20-E52 IonicContact NE2-OE2 3.77Å; H20-E52 PolarHBondContact NE2-OE2 3.05Å; H20-V54 VanDerWaalsContact CD2-CG2 3.46Å; H20-V54 WeakPolarHBondContact CD2-CG2 3.28Å; H20-F90 HydrophobicContact CB-CD1 4.37Å; H20-F90 HydrophobicContact CB-CD2 3.63Å; H20-F90 HydrophobicContact CB-CE2 3.76Å; H20-F90 HydrophobicContact CB-CG 3.95Å; H20-F90 HydrophobicContact CB-CZ 4.2Å
21L86.2Confident89.5Confident20 Ų2045.9 Ų45.911%0.10524%0.239CC..Hα-helixtrans-65.1-31.7173.6-75.7176.8000112.4L17 E18 V64 I65 Q68 L75 F90L17-L21 HydrophobicContact CD2-CD1 3.3Å; L17-L21 HydrophobicContact CD2-CD2 4.47Å; L17-L21 HydrophobicContact CD2-CG 3.64Å; L17-L21 WeakPolarHBondContact O-CG 3.5Å; L17-L21 PolarHBondContact O-N 3.29Å; E18-L21 PolarHBondContact O-N 2.71Å; L21-V64 HydrophobicContact CD1-CG1 4.23Å; L21-I65 HydrophobicContact CD1-CG1 4.31Å; L21-Q68 HydrophobicContact CD1-CB 4.37Å; L21-Q68 HydrophobicContact CD1-CG 4.41Å; L21-L75 HydrophobicContact CD1-CD1 4.45Å; L21-L75 HydrophobicContact CD2-CD2 4.31Å; L21-F90 HydrophobicContact CD2-CE1 3.79Å; L21-F90 HydrophobicContact CD2-CZ 3.99Å; L21-F90 HydrophobicContact CG-CE1 4.43Å; L21-F90 HydrophobicContact CG-CZ 4.35Å
22S85.6Confident89.6Confident82 Ų8244.1 Ų44.157%0.57322%0.223SC*.Hα-helixtrans-83.7-26.8177.258.10000114.2E18 K19 H20E18-S22 PolarHBondContact O-N 3.11Å; E18-S22 PolarHBondContact O-OG 3.17Å; K19-S22 PolarHBondContact O-N 2.99Å; K19-S22 PolarHBondContact O-OG 2.87Å; H20-S22 VanDerWaalsContact C-N 3.27Å; H20-S22 PolarHBondContact O-N 3.34Å
23E88.8Confident89.5Confident87 Ų8745.6 Ų45.641%0.40722%0.221SC..Hα-helixtrans-90.7-24-175-176.7173.2-166.600112.8K19 H20 N92K19-E23 VanDerWaalsContact CE-OE2 3.29Å; K19-E23 WeakPolarHBondContact CE-OE2 3.49Å; K19-E23 IonicContact NZ-OE2 2.65Å; K19-E23 WeakPolarHBondContact O-CB 3.47Å; K19-E23 PolarHBondContact O-N 3.36Å; H20-E23 PolarHBondContact O-N 3.48Å; E23-N92 PolarHBondContact O-ND2 3.31Å
24F85.6Confident89.3Confident27 Ų2748.5 Ų48.512%0.11824%0.238CC..  trans-121.9121.4-174.8-62.6-82000112.6H20 F90 N92H20-F24 HydrophobicContact CB-CD2 4.17Å; H20-F24 AromaticContact ND1-CE2 3.59Å; H20-F24 WeakPolarHBondContact O-CB 3.25Å; H20-F24 WeakPolarHBondContact O-CD2 2.86Å; H20-F24 PolarHBondContact O-N 3.22Å; F24-F90 HydrophobicContact CB-CB 3.82Å; F24-F90 HydrophobicContact CB-CD1 4.02Å; F24-F90 HydrophobicContact CB-CG 4.33Å; F24-F90 HydrophobicContact CD1-CB 4.27Å; F24-F90 HydrophobicContact CD2-CB 3.57Å; F24-F90 HydrophobicContact CD2-CG 4.25Å; F24-F90 HydrophobicContact CE2-CB 4.19Å; F24-F90 HydrophobicContact CG-CB 3.63Å; F24-F90 HydrophobicContact CG-CG 4.49Å; F24-N92 VanDerWaalsContact CA-OD1 3.28Å; F24-N92 WeakPolarHBondContact CA-OD1 3.36Å; F24-N92 HydrophobicContact CD1-CB 4.13Å; F24-N92 WeakPolarHBondContact CD1-ND2 3.45Å; F24-N92 VanDerWaalsContact CD1-OD1 3.32Å; F24-N92 WeakPolarHBondContact CD1-OD1 3.29Å; F24-N92 HydrophobicContact CE1-CB 4.41Å
25D85.3Confident89.1Confident92 Ų9247.6 Ų47.649%0.49224%0.236SC..SBendtrans-78.8-25.6179.7-67.8-13.4000112.9N92 Q195D25-N92 PolarHBondContact N-OD1 2.87Å; D25-Q195 HydrophobicContact CB-CG 4.36Å; D25-Q195 PolarHBondContact O-N 3.4Å
26K90.8Very high88.9Confident47 Ų4747.8 Ų47.820%0.20423%0.233CC..EExtended strand (participates in β ladder)trans-116.3138.7-176.5-35.9-171.2-174.9-159.30111T91 L95 F193 E194K26-T91 WeakPolarHBondContact CB-O 3.4Å; K26-T91 PolarHBondContact O-N 3.31Å; K26-T91 VanDerWaalsContact O-O 3.11Å; K26-L95 HydrophobicContact CB-CD2 3.94Å; K26-L95 HydrophobicContact CD-CD1 4.04Å; K26-L95 HydrophobicContact CD-CD2 3.84Å; K26-L95 HydrophobicContact CD-CG 3.89Å; K26-F193 WeakPolarHBondContact CA-O 3.4Å; K26-E194 HydrophobicContact CD-CG 4.28Å; K26-E194 VanDerWaalsContact CE-OE1 3.28Å; K26-E194 WeakPolarHBondContact CE-OE1 3.34Å; K26-E194 HydrophobicContact CG-CG 4.32Å; K26-E194 IonicContact NZ-OE1 2.72Å; K26-E194 PolarHBondContact NZ-OE1 2.88Å
27C91.2Very high88.7Confident3 Ų347.7 Ų47.72%0.0225%0.245CC..EExtended strand (participates in β ladder)trans-145146.2173.1680000113.1V89 F90 F193C27-V89 CarbonylContact C-O 3.49Å; C27-V89 WeakPolarHBondContact CA-O 3.43Å; C27-F90 HydrophobicContact CB-CD1 3.67Å; C27-F90 HydrophobicContact CB-CE1 3.85Å; C27-F90 HydrophobicContact CB-CG 4.48Å; C27-F193 PolarHBondContact N-O 3Å; C27-F193 PolarHBondContact O-N 3.4Å; C27-F193 VanDerWaalsContact SG-CB 3.59Å
28F93Very high88.7Confident0 Ų054.7 Ų54.70%028%0.275CS..EExtended strand (participates in β ladder)trans-95.5132.6167.4-64.4-79.2000110.1V30 F88 V89 T91 L95 I98 I102 I189 V192 L204F28-V30 HydrophobicContact CB-CG2 3.81Å; F28-F88 WeakPolarHBondContact O-CA 3.29Å; F28-V89 HydrophobicContact CB-CB 4.17Å; F28-V89 HydrophobicContact CD2-CB 4.43Å; F28-V89 PolarHBondContact N-O 3.21Å; F28-V89 PolarHBondContact O-N 3.04Å; F28-T91 HydrophobicContact CD2-CG2 4.15Å; F28-T91 HydrophobicContact CE2-CG2 4.19Å; F28-L95 HydrophobicContact CE1-CD2 4.24Å; F28-L95 HydrophobicContact CE2-CD2 3.69Å; F28-L95 HydrophobicContact CZ-CB 3.83Å; F28-L95 HydrophobicContact CZ-CD2 3.49Å; F28-L95 VanDerWaalsContact CZ-CD2 3.49Å; F28-L95 HydrophobicContact CZ-CG 4.26Å; F28-L95 WeakPolarHBondContact CZ-O 3.28Å; F28-I98 HydrophobicContact CD2-CG2 4.26Å; F28-I98 HydrophobicContact CE2-CB 4.11Å; F28-I98 HydrophobicContact CE2-CG2 3.86Å; F28-I102 HydrophobicContact CD2-CD1 4.33Å; F28-I189 HydrophobicContact CB-CG2 4.44Å; F28-I189 HydrophobicContact CD1-CD1 4.26Å; F28-I189 HydrophobicContact CD1-CG2 3.64Å; F28-I189 HydrophobicContact CE1-CD1 4.4Å; F28-I189 HydrophobicContact CE1-CG2 4.35Å; F28-I189 HydrophobicContact CG-CG2 4.45Å; F28-V192 HydrophobicContact CD1-CB 4.24Å; F28-V192 HydrophobicContact CD1-CG1 3.97Å; F28-V192 HydrophobicContact CD1-CG2 3.77Å; F28-V192 HydrophobicContact CE1-CB 4.24Å; F28-V192 HydrophobicContact CE1-CG1 3.71Å; F28-V192 HydrophobicContact CE1-CG2 3.65Å; F28-V192 HydrophobicContact CZ-CG1 4.44Å; F28-L204 HydrophobicContact CE1-CD1 3.95Å; F28-L204 HydrophobicContact CZ-CD1 4.39Å
29I92.4Very high88.5Confident0 Ų053 Ų530%027%0.267CS..EExtended strand (participates in β ladder)trans-86.8117.2164.4-63.6166.9000106.8L78 H81 V86 F88 K190 Q191I29-L78 HydrophobicContact CD1-CD2 3.59Å; I29-L78 HydrophobicContact CG1-CD2 4.26Å; I29-H81 HydrophobicContact CD1-CB 3.77Å; I29-V86 HydrophobicContact CG2-CG1 3.54Å; I29-V86 HydrophobicContact CG2-CG2 4.47Å; I29-F88 HydrophobicContact CG1-CD1 4.43Å; I29-F88 HydrophobicContact CG1-CE1 3.98Å; I29-K190 HydrophobicContact CG2-CB 4.32Å; I29-K190 PolarHBondContact O-N 3.01Å; I29-Q191 HydrophobicContact CB-CB 4.14Å; I29-Q191 HydrophobicContact CD1-CB 3.85Å; I29-Q191 HydrophobicContact CG1-CB 4.45Å; I29-Q191 PolarHBondContact N-O 2.82Å; I29-Q191 PolarHBondContact O-N 3.27Å
30V92.4Very high88.5Confident0 Ų047.7 Ų47.70%025%0.245CC..EExtended strand (participates in β ladder)trans-122.3135.8-173-176.70000110.1F28 V86 G87 V89 L187 V188 I189F28-V30 HydrophobicContact CB-CG2 3.81Å; V30-V86 CarbonylContact O-C 3.5Å; V30-V86 WeakPolarHBondContact O-CA 3.49Å; V30-G87 PolarHBondContact N-O 2.95Å; V30-G87 PolarHBondContact O-N 3.46Å; V30-V89 HydrophobicContact CG2-CG2 3.82Å; V30-L187 HydrophobicContact CG1-CB 3.48Å; V30-L187 VanDerWaalsContact CG1-CB 3.48Å; V30-L187 HydrophobicContact CG1-CD1 4.15Å; V30-L187 HydrophobicContact CG1-CD2 3.62Å; V30-L187 HydrophobicContact CG1-CG 3.9Å; V30-V188 CarbonylContact C-O 3.5Å; V30-V188 WeakPolarHBondContact CA-O 3.4Å; V30-V188 WeakPolarHBondContact CG1-O 3.31Å; V30-I189 HydrophobicContact CG2-CG1 4.41Å
31N91.5Very high88.5Confident26 Ų2652.9 Ų52.914%0.13927%0.269CS..EExtended strand (participates in β ladder)trans-87135.2168.9-169.70.3000110.5D33 N85 V188N31-D33 PolarHBondContact ND2-OD2 2.89Å; N31-D33 VanDerWaalsContact OD1-CG 3.24Å; N31-D33 PolarHBondContact OD1-N 3.07Å; N31-D33 PolarHBondContact OD1-OD2 3.31Å; N31-N85 PolarHBondContact OD1-O 3.46Å; N31-V188 PolarHBondContact N-O 3.43Å; N31-V188 PolarHBondContact O-N 3.46Å
32V89.2Confident88.6Confident10 Ų1055.7 Ų55.76%0.06128%0.282CS..  trans-116.443.2-173.4-163.50000111.3V35 M40 L55 N85 L187V32-V35 HydrophobicContact CG1-CB 3.8Å; V32-V35 HydrophobicContact CG1-CG1 4.41Å; V32-V35 HydrophobicContact CG1-CG2 3.79Å; V32-M40 HydrophobicContact CG1-CE 3.64Å; V32-M40 HydrophobicContact CG1-SD 3.92Å; V32-L55 HydrophobicContact CG1-CD1 4.41Å; V32-L55 HydrophobicContact CG2-CD2 3.81Å; V32-N85 VanDerWaalsContact C-ND2 3.33Å; V32-N85 PolarHBondContact N-O 2.83Å; V32-N85 PolarHBondContact O-ND2 3.13Å; V32-L187 HydrophobicContact CB-CD2 4.25Å; V32-L187 HydrophobicContact CG1-CD2 3.99Å; V32-L187 HydrophobicContact CG2-CD2 3.78Å
33D87.3Confident88.8Confident71 Ų7151.9 Ų51.938%0.3825%0.254SS..THydrogen-bonded Turntrans-79.2135.5179.3-73.7-30.2000113N31 V35 N85N31-D33 PolarHBondContact ND2-OD2 2.89Å; N31-D33 VanDerWaalsContact OD1-CG 3.24Å; N31-D33 PolarHBondContact OD1-N 3.07Å; N31-D33 PolarHBondContact OD1-OD2 3.31Å; D33-V35 WeakPolarHBondContact O-CG2 3.41Å; D33-V35 PolarHBondContact O-N 3.22Å; D33-N85 VanDerWaalsContact OD1-CB 3.25Å; D33-N85 WeakPolarHBondContact OD1-CB 3.11Å; D33-N85 PolarHBondContact OD1-ND2 3.36Å
34N83.9Confident88.9Confident82 Ų8252.7 Ų52.744%0.43925%0.254SS..THydrogen-bonded Turntrans56.715.3-179.1-66.4-57.9000116K112 Y185N34-K112 PolarHBondContact OD1-NZ 3.19Å; N34-Y185 HydrophobicContact CB-CD1 3.7Å; N34-Y185 HydrophobicContact CB-CD2 3.88Å; N34-Y185 HydrophobicContact CB-CE1 3.92Å; N34-Y185 HydrophobicContact CB-CE2 4.14Å; N34-Y185 HydrophobicContact CB-CG 3.7Å; N34-Y185 WeakPolarHBondContact ND2-CE1 3.36Å
35V85.8Confident89.1Confident26 Ų2656.3 Ų56.316%0.15827%0.272CS..  trans-79.1126.3179.3-170.90000110.8V32 D33 Q39 M40 I43 L187V32-V35 HydrophobicContact CG1-CB 3.8Å; V32-V35 HydrophobicContact CG1-CG1 4.41Å; V32-V35 HydrophobicContact CG1-CG2 3.79Å; D33-V35 WeakPolarHBondContact O-CG2 3.41Å; D33-V35 PolarHBondContact O-N 3.22Å; V35-Q39 HydrophobicContact CG1-CB 4.03Å; V35-Q39 HydrophobicContact CG1-CG 3.87Å; V35-M40 HydrophobicContact CB-CG 4.5Å; V35-M40 HydrophobicContact CB-SD 4.39Å; V35-M40 HydrophobicContact CG1-CG 3.68Å; V35-M40 HydrophobicContact CG1-SD 3.58Å; V35-M40 VanDerWaalsContact CG1-SD 3.58Å; V35-I43 HydrophobicContact CG1-CD1 4.45Å; V35-L187 HydrophobicContact CG2-CD2 4.38Å
36R85.9Confident89.3Confident157 Ų15753.9 Ų53.959%0.59227%0.265SS*.  trans-78.2153.6-179.3-65.3-174.4-178.5-162.52.4112.1K38 Q39 M40R36-K38 VanDerWaalsContact C-N 3.28Å; R36-K38 PolarHBondContact O-N 3.01Å; R36-Q39 HydrophobicContact CB-CB 4.47Å; R36-Q39 WeakPolarHBondContact O-CB 3.42Å; R36-Q39 PolarHBondContact O-N 3.33Å; R36-M40 PolarHBondContact O-N 2.89Å
37S87.9Confident89.2Confident97 Ų9751.7 Ų51.768%0.67826%0.256SS*.Hα-helixtrans-55.9-38.8177.2-54.30000113.7M40 Q41S37-M40 PolarHBondContact O-N 2.98Å; S37-Q41 WeakPolarHBondContact O-CG 3.32Å; S37-Q41 PolarHBondContact O-N 3.42Å
38K88.6Confident89.1Confident150 Ų15060.5 Ų60.565%0.65229%0.288SS*.Hα-helixtrans-64.9-41176.2-172.4177.4-179-178.70111.9R36 M40 Q41 Q42R36-K38 VanDerWaalsContact C-N 3.28Å; R36-K38 PolarHBondContact O-N 3.01Å; K38-M40 VanDerWaalsContact C-N 3.34Å; K38-Q41 WeakPolarHBondContact O-CB 3.46Å; K38-Q41 PolarHBondContact O-N 2.96Å; K38-Q42 WeakPolarHBondContact O-CG 3.27Å; K38-Q42 PolarHBondContact O-N 3.1Å
39Q86.2Confident88.7Confident6 Ų664.9 Ų64.93%0.02833%0.334CS..Hα-helixtrans-63.4-42.2175.1-175.4178.8900110.7V35 R36 Q41 Q42 I43 N105 V107 Y185V35-Q39 HydrophobicContact CG1-CB 4.03Å; V35-Q39 HydrophobicContact CG1-CG 3.87Å; R36-Q39 HydrophobicContact CB-CB 4.47Å; R36-Q39 WeakPolarHBondContact O-CB 3.42Å; R36-Q39 PolarHBondContact O-N 3.33Å; Q39-Q41 VanDerWaalsContact C-N 3.27Å; Q39-Q41 PolarHBondContact O-N 3.31Å; Q39-Q42 PolarHBondContact O-N 3.5Å; Q39-Q42 VanDerWaalsContact O-N 3.12Å; Q39-I43 HydrophobicContact CG-CD1 3.85Å; Q39-I43 HydrophobicContact CG-CG1 4.48Å; Q39-I43 WeakPolarHBondContact O-CG1 3.47Å; Q39-I43 PolarHBondContact O-N 2.77Å; Q39-N105 PolarHBondContact NE2-O 2.98Å; Q39-N105 VanDerWaalsContact NE2-O 3.13Å; Q39-V107 HydrophobicContact CB-CG2 4.14Å; Q39-V107 HydrophobicContact CG-CG2 3.68Å; Q39-Y185 PolarHBondContact NE2-O 2.91Å
40M89.6Confident88.5Confident13 Ų1366.7 Ų66.76%0.06435%0.347CS..Hα-helixtrans-63.1-32.7175.2-69.4-63.1-9300113.2V32 V35 R36 S37 K38 I43 R44 L53 L55 L187V32-M40 HydrophobicContact CG1-CE 3.64Å; V32-M40 HydrophobicContact CG1-SD 3.92Å; V35-M40 HydrophobicContact CB-CG 4.5Å; V35-M40 HydrophobicContact CB-SD 4.39Å; V35-M40 HydrophobicContact CG1-CG 3.68Å; V35-M40 HydrophobicContact CG1-SD 3.58Å; V35-M40 VanDerWaalsContact CG1-SD 3.58Å; R36-M40 PolarHBondContact O-N 2.89Å; S37-M40 PolarHBondContact O-N 2.98Å; K38-M40 VanDerWaalsContact C-N 3.34Å; M40-I43 HydrophobicContact SD-CD1 4.26Å; M40-R44 WeakPolarHBondContact O-CB 3.09Å; M40-R44 WeakPolarHBondContact O-CG 3.33Å; M40-R44 PolarHBondContact O-N 3.47Å; M40-R44 PolarHBondContact O-NE 3.26Å; M40-L53 HydrophobicContact CE-CD2 3.55Å; M40-L53 HydrophobicContact SD-CD2 4.09Å; M40-L55 HydrophobicContact CE-CD1 3.11Å; M40-L55 HydrophobicContact CE-CD2 4.3Å; M40-L55 HydrophobicContact CE-CG 3.97Å; M40-L187 HydrophobicContact SD-CD2 4.33Å
41Q90.5Very high88.3Confident114 Ų11467.1 Ų67.153%0.53335%0.35SS..Hα-helixtrans-68.4-44.6171.9-70.8171.7-7.400111.2S37 K38 Q39 R44 M45S37-Q41 WeakPolarHBondContact O-CG 3.32Å; S37-Q41 PolarHBondContact O-N 3.42Å; K38-Q41 WeakPolarHBondContact O-CB 3.46Å; K38-Q41 PolarHBondContact O-N 2.96Å; Q39-Q41 VanDerWaalsContact C-N 3.27Å; Q39-Q41 PolarHBondContact O-N 3.31Å; Q41-R44 PolarHBondContact O-N 3.23Å; Q41-M45 WeakPolarHBondContact O-CG 3.3Å; Q41-M45 PolarHBondContact O-N 2.88Å
42Q89.4Confident88.3Confident80 Ų8069.8 Ų69.837%0.37436%0.361SS..Hα-helixtrans-61.1-45.9176.6-72.3171.4-35.400112.5K38 Q39 R44 M45 A46K38-Q42 WeakPolarHBondContact O-CG 3.27Å; K38-Q42 PolarHBondContact O-N 3.1Å; Q39-Q42 PolarHBondContact O-N 3.5Å; Q39-Q42 VanDerWaalsContact O-N 3.12Å; Q42-R44 VanDerWaalsContact C-N 3.34Å; Q42-R44 PolarHBondContact O-N 3.35Å; Q42-M45 HydrophobicContact CB-CE 4.45Å; Q42-M45 HydrophobicContact CG-CE 4.07Å; Q42-M45 WeakPolarHBondContact O-CB 3.35Å; Q42-M45 PolarHBondContact O-N 3.49Å; Q42-M45 VanDerWaalsContact O-N 3.09Å; Q42-A46 PolarHBondContact O-N 3.22Å
43I90Very high88.4Confident1 Ų170.1 Ų70.11%0.00536%0.363CS..Hα-helixtrans-60.1-46.5174.9-66.8158.8000110.2V35 Q39 M40 M45 A46 L47 N105 L187V35-I43 HydrophobicContact CG1-CD1 4.45Å; Q39-I43 HydrophobicContact CG-CD1 3.85Å; Q39-I43 HydrophobicContact CG-CG1 4.48Å; Q39-I43 WeakPolarHBondContact O-CG1 3.47Å; Q39-I43 PolarHBondContact O-N 2.77Å; M40-I43 HydrophobicContact SD-CD1 4.26Å; I43-M45 PolarHBondContact O-N 3.03Å; I43-A46 PolarHBondContact O-N 3.25Å; I43-L47 HydrophobicContact CG2-CD1 3.61Å; I43-L47 HydrophobicContact CG2-CG 4.08Å; I43-L47 WeakPolarHBondContact O-CB 3.29Å; I43-L47 VanDerWaalsContact O-CG 3.29Å; I43-L47 WeakPolarHBondContact O-CG 3.41Å; I43-L47 PolarHBondContact O-N 3.46Å; I43-N105 HydrophobicContact CG1-CB 3.74Å; I43-L187 HydrophobicContact CD1-CD1 3.8Å; I43-L187 HydrophobicContact CD1-CG 3.77Å; I43-L187 HydrophobicContact CG1-CD1 4.48Å; I43-L187 HydrophobicContact CG2-CD1 3.72Å
44R90.5Very high88.6Confident105 Ų10567 Ų6740%0.39635%0.346SS..Hα-helixtrans-61.9-29.8176.4-80.7-171.4-68.6-92-1.4113.2M40 Q41 Q42 R48 L53M40-R44 WeakPolarHBondContact O-CB 3.09Å; M40-R44 WeakPolarHBondContact O-CG 3.33Å; M40-R44 PolarHBondContact O-N 3.47Å; M40-R44 PolarHBondContact O-NE 3.26Å; Q41-R44 PolarHBondContact O-N 3.23Å; Q42-R44 VanDerWaalsContact C-N 3.34Å; Q42-R44 PolarHBondContact O-N 3.35Å; R44-R48 WeakPolarHBondContact O-CG 3.47Å; R44-L53 HydrophobicContact CG-CB 4.41Å; R44-L53 HydrophobicContact CG-CD2 4.28Å
45M90.3Very high88.9Confident102 Ų10266.1 Ų66.150%0.50234%0.341SS..Hα-helixtrans-72.6-44.9173-69.5-172-54.200111.6Q41 Q42 I43 L47 R48Q41-M45 WeakPolarHBondContact O-CG 3.3Å; Q41-M45 PolarHBondContact O-N 2.88Å; Q42-M45 HydrophobicContact CB-CE 4.45Å; Q42-M45 HydrophobicContact CG-CE 4.07Å; Q42-M45 WeakPolarHBondContact O-CB 3.35Å; Q42-M45 PolarHBondContact O-N 3.49Å; Q42-M45 VanDerWaalsContact O-N 3.09Å; I43-M45 PolarHBondContact O-N 3.03Å; M45-L47 VanDerWaalsContact C-N 3.28Å; M45-L47 PolarHBondContact O-N 3.08Å; M45-R48 WeakPolarHBondContact O-CB 3.49Å; M45-R48 WeakPolarHBondContact O-CG 3.33Å; M45-R48 PolarHBondContact O-N 3.35Å
46A88.8Confident89Confident41 Ų4166.1 Ų66.134%0.33935%0.346SS..Hα-helixtrans-65.7-30.3179.400000113Q42 I43 N105Q42-A46 PolarHBondContact O-N 3.22Å; I43-A46 PolarHBondContact O-N 3.25Å; A46-N105 WeakPolarHBondContact CB-ND2 3.43Å
47L88.8Confident89.2Confident2 Ų264.9 Ų64.91%0.0135%0.345CS..THydrogen-bonded Turntrans-85.4-7.5178.2-67.6-178.8000113.7I43 M45 G49 S50 A51 L53 V89 I98 K101 I102I43-L47 HydrophobicContact CG2-CD1 3.61Å; I43-L47 HydrophobicContact CG2-CG 4.08Å; I43-L47 WeakPolarHBondContact O-CB 3.29Å; I43-L47 VanDerWaalsContact O-CG 3.29Å; I43-L47 WeakPolarHBondContact O-CG 3.41Å; I43-L47 PolarHBondContact O-N 3.46Å; M45-L47 VanDerWaalsContact C-N 3.28Å; M45-L47 PolarHBondContact O-N 3.08Å; L47-G49 PolarHBondContact O-N 2.96Å; L47-S50 PolarHBondContact O-N 2.8Å; L47-S50 VanDerWaalsContact O-N 3.1Å; L47-A51 HydrophobicContact CB-CB 4.11Å; L47-A51 HydrophobicContact CD1-CB 4.4Å; L47-A51 HydrophobicContact CD2-CB 4.01Å; L47-A51 HydrophobicContact CG-CB 4.38Å; L47-A51 PolarHBondContact O-N 3.36Å; L47-L53 HydrophobicContact CD1-CB 4.49Å; L47-V89 HydrophobicContact CD1-CG1 4.14Å; L47-I98 HydrophobicContact CD2-CG2 4.18Å; L47-K101 HydrophobicContact CD2-CB 4.24Å; L47-I102 HydrophobicContact CD2-CG1 4.19Å
48R88.6Confident89.3Confident187 Ų18762 Ų6271%0.70632%0.323SS*.THydrogen-bonded Turntrans-55.2129.8-178.4-70.5-175.7179.1162.4-2.4111.1R44 M45 S50R44-R48 WeakPolarHBondContact O-CG 3.47Å; M45-R48 WeakPolarHBondContact O-CB 3.49Å; M45-R48 WeakPolarHBondContact O-CG 3.33Å; M45-R48 PolarHBondContact O-N 3.35Å; R48-S50 PolarHBondContact O-N 3.32Å
49G85.9Confident89.4Confident92 Ų9258.6 Ų58.695%0.94831%0.314SS*.THydrogen-bonded Turntrans83.4-24.3178.600000114.9L47L47-G49 PolarHBondContact O-N 2.96Å
50S86.7Confident89.5Confident39 Ų3959.2 Ų59.227%0.27332%0.317SS..THydrogen-bonded Turntrans-100.8-34.9177-54.60000113.2L47 R48 K101L47-S50 PolarHBondContact O-N 2.8Å; L47-S50 VanDerWaalsContact O-N 3.1Å; R48-S50 PolarHBondContact O-N 3.32Å; S50-K101 PolarHBondContact OG-NZ 2.91Å
51A90.2Very high89.6Confident8 Ų858.6 Ų58.67%0.06631%0.314CS..EExtended strand (participates in β ladder)trans-154.5151.8-171.700000113.2L47 V89 F90 T91 I98L47-A51 HydrophobicContact CB-CB 4.11Å; L47-A51 HydrophobicContact CD1-CB 4.4Å; L47-A51 HydrophobicContact CD2-CB 4.01Å; L47-A51 HydrophobicContact CG-CB 4.38Å; L47-A51 PolarHBondContact O-N 3.36Å; A51-V89 HydrophobicContact CB-CG1 3.66Å; A51-F90 CarbonylContact C-O 3.55Å; A51-F90 WeakPolarHBondContact CA-O 3.35Å; A51-T91 HydrophobicContact CB-CG2 3.63Å; A51-I98 HydrophobicContact CB-CD1 4.36Å; A51-I98 HydrophobicContact CB-CG2 4.15Å
52E91.3Very high89.6Confident82 Ų8257.6 Ų57.638%0.38331%0.306SS..EExtended strand (participates in β ladder)trans-116.9123.7173.4-70.8-153.5-160.600112.3H20 V89 F90H20-E52 VanDerWaalsContact CE1-CD 3.5Å; H20-E52 IonicContact CE1-OE1 2.88Å; H20-E52 IonicContact CE1-OE2 3.3Å; H20-E52 PolarHBondContact CE1-OE2 2.97Å; H20-E52 IonicContact ND1-OE2 3.96Å; H20-E52 IonicContact NE2-OE2 3.77Å; H20-E52 PolarHBondContact NE2-OE2 3.05Å; E52-V89 CarbonylContact O-C 3.49Å; E52-V89 WeakPolarHBondContact O-CA 3.49Å; E52-F90 PolarHBondContact N-O 2.88Å; E52-F90 PolarHBondContact O-N 3.47Å
53L90.4Very high89.6Confident18 Ų1860 Ų609%0.09432%0.315CS..EExtended strand (participates in β ladder)trans-90.8117.1176.5-179.674.6000110.6M40 R44 L47 L55 F88 V89 L187M40-L53 HydrophobicContact CE-CD2 3.55Å; M40-L53 HydrophobicContact SD-CD2 4.09Å; R44-L53 HydrophobicContact CG-CB 4.41Å; R44-L53 HydrophobicContact CG-CD2 4.28Å; L47-L53 HydrophobicContact CD1-CB 4.49Å; L53-L55 HydrophobicContact CD1-CD2 4.13Å; L53-L55 HydrophobicContact CG-CD2 4.34Å; L53-F88 CarbonylContact C-O 3.39Å; L53-F88 WeakPolarHBondContact CA-O 3.34Å; L53-V89 HydrophobicContact CD1-CG2 3.4Å; L53-V89 VanDerWaalsContact CD1-CG2 3.4Å; L53-L187 HydrophobicContact CD1-CD1 4.48Å
54V91.4Very high89.5Confident4 Ų460 Ų602%0.02432%0.315CS..EExtended strand (participates in β ladder)trans-116.9120.4176.5-177.80000109.4Y13 L17 H20 F88 F90Y13-V54 HydrophobicContact CE2-CG1 3.88Å; L17-V54 HydrophobicContact CD1-CG1 4.43Å; H20-V54 VanDerWaalsContact CD2-CG2 3.46Å; H20-V54 WeakPolarHBondContact CD2-CG2 3.28Å; V54-F88 PolarHBondContact N-O 3.22Å; V54-F88 PolarHBondContact O-N 3.47Å; V54-F90 HydrophobicContact CB-CD2 4.31Å; V54-F90 HydrophobicContact CB-CE2 3.98Å; V54-F90 HydrophobicContact CG2-CD2 3.86Å; V54-F90 HydrophobicContact CG2-CE2 3.89Å
55L90.2Very high89.4Confident64 Ų6455 Ų5534%0.33530%0.296SS..EExtended strand (participates in β ladder)trans-111.7149.6172.9-57.1-172.6000110.5Y13 V32 M40 L53Y13-L55 WeakPolarHBondContact CE2-O 3.49Å; Y13-L55 PolarHBondContact OH-O 3.4Å; V32-L55 HydrophobicContact CG1-CD1 4.41Å; V32-L55 HydrophobicContact CG2-CD2 3.81Å; M40-L55 HydrophobicContact CE-CD1 3.11Å; M40-L55 HydrophobicContact CE-CD2 4.3Å; M40-L55 HydrophobicContact CE-CG 3.97Å; L53-L55 HydrophobicContact CD1-CD2 4.13Å; L53-L55 HydrophobicContact CG-CD2 4.34Å
56G87.7Confident89.3Confident26 Ų2655.2 Ų55.227%0.26830%0.296SS..  trans-170.3-178.4168.900000112.8Y13 N58 I61Y13-G56 VanDerWaalsContact OH-CA 3.27Å; Y13-G56 WeakPolarHBondContact OH-CA 3.18Å; Y13-G56 PolarHBondContact OH-N 3.44Å; G56-N58 PolarHBondContact O-N 3.48Å; G56-I61 WeakPolarHBondContact O-CD1 3.43Å
57K90.7Very high89.2Confident131 Ų13159.4 Ų59.457%0.5731%0.307SS*.  trans-72.1130.9179.8-172.1173.1-179.7169.90109.6T59 L60 I61K57-T59 WeakPolarHBondContact CD-OG1 3.34Å; K57-T59 WeakPolarHBondContact CE-OG1 3.48Å; K57-T59 PolarHBondContact O-N 3.35Å; K57-L60 HydrophobicContact CB-CB 4.47Å; K57-L60 HydrophobicContact CB-CD1 4.13Å; K57-L60 HydrophobicContact CB-CG 4.17Å; K57-L60 WeakPolarHBondContact O-CA 3.3Å; K57-L60 WeakPolarHBondContact O-CB 3.18Å; K57-L60 PolarHBondContact O-N 3.41Å; K57-I61 PolarHBondContact O-N 3.3Å
58N90.2Very high88.9Confident38 Ų3860.6 Ų60.620%0.20331%0.312CS..Hα-helixtrans-48-41.2178.8-63.2-0.9000113.3G56 L60 I61 R62 I82 E84G56-N58 PolarHBondContact O-N 3.48Å; N58-L60 VanDerWaalsContact C-N 3.3Å; N58-L60 PolarHBondContact O-N 3.36Å; N58-I61 PolarHBondContact O-N 2.91Å; N58-R62 WeakPolarHBondContact O-CB 3.2Å; N58-R62 VanDerWaalsContact O-CG 3.27Å; N58-R62 WeakPolarHBondContact O-CG 3.44Å; N58-R62 PolarHBondContact O-N 3.48Å; N58-I82 HydrophobicContact CB-CG2 3.97Å; N58-E84 PolarHBondContact ND2-O 2.93Å; N58-E84 PolarHBondContact OD1-O 3.5Å
59T89.9Confident88.2Confident78 Ų7854 Ų5448%0.47929%0.29SS..Hα-helixtrans-67.8-28179.260.80000113.6K57 K63K57-T59 WeakPolarHBondContact CD-OG1 3.34Å; K57-T59 WeakPolarHBondContact CE-OG1 3.48Å; K57-T59 PolarHBondContact O-N 3.35Å; T59-K63 WeakPolarHBondContact O-CG 3.49Å
60L89.6Confident87.7Confident18 Ų1853.1 Ų53.19%0.09428%0.281CS..Hα-helixtrans-78.8-45.8174-65.6177000110.4W9 K10 Y13 F14 K57 N58 R62 K63 V64W9-L60 HydrophobicContact CZ3-CD1 4.44Å; K10-L60 HydrophobicContact CD-CD2 4.26Å; K10-L60 HydrophobicContact CG-CD1 4.26Å; K10-L60 HydrophobicContact CG-CD2 4.37Å; Y13-L60 HydrophobicContact CD1-CB 4.47Å; Y13-L60 HydrophobicContact CE1-CB 4.3Å; F14-L60 HydrophobicContact CE2-CD2 3.97Å; F14-L60 HydrophobicContact CZ-CD2 4.42Å; K57-L60 HydrophobicContact CB-CB 4.47Å; K57-L60 HydrophobicContact CB-CD1 4.13Å; K57-L60 HydrophobicContact CB-CG 4.17Å; K57-L60 WeakPolarHBondContact O-CA 3.3Å; K57-L60 WeakPolarHBondContact O-CB 3.18Å; K57-L60 PolarHBondContact O-N 3.41Å; N58-L60 VanDerWaalsContact C-N 3.3Å; N58-L60 PolarHBondContact O-N 3.36Å; L60-R62 VanDerWaalsContact C-N 3.34Å; L60-R62 PolarHBondContact O-N 3.39Å; L60-K63 WeakPolarHBondContact O-CB 3.42Å; L60-K63 PolarHBondContact O-N 3.48Å; L60-K63 VanDerWaalsContact O-N 3.13Å; L60-V64 WeakPolarHBondContact O-CG2 3.45Å; L60-V64 PolarHBondContact O-N 3.05Å; L60-V64 VanDerWaalsContact O-N 3.1Å
61I90.5Very high86.9Confident0 Ų058 Ų580%030%0.299CS..Hα-helixtrans-56.7-48.7178.2-64.8171.4000110.5Y13 L17 G56 K57 N58 K63 V64 I65 I82 F88Y13-I61 HydrophobicContact CE1-CG1 4.3Å; Y13-I61 VanDerWaalsContact OH-CG1 3.3Å; Y13-I61 WeakPolarHBondContact OH-CG1 3.41Å; L17-I61 HydrophobicContact CD1-CG1 4.07Å; L17-I61 HydrophobicContact CD1-CG2 4.48Å; G56-I61 WeakPolarHBondContact O-CD1 3.43Å; K57-I61 PolarHBondContact O-N 3.3Å; N58-I61 PolarHBondContact O-N 2.91Å; I61-K63 VanDerWaalsContact C-N 3.27Å; I61-K63 PolarHBondContact O-N 3.16Å; I61-V64 PolarHBondContact O-N 2.89Å; I61-V64 VanDerWaalsContact O-N 3.12Å; I61-I65 HydrophobicContact CG2-CD1 3.75Å; I61-I65 HydrophobicContact CG2-CG1 4.45Å; I61-I65 WeakPolarHBondContact O-CG1 3.33Å; I61-I65 PolarHBondContact O-N 2.89Å; I61-I82 HydrophobicContact CG2-CD1 3.89Å; I61-I82 HydrophobicContact CG2-CG2 4.32Å; I61-F88 HydrophobicContact CD1-CD2 4.34Å; I61-F88 HydrophobicContact CD1-CE2 4Å; I61-F88 HydrophobicContact CG2-CD2 4.38Å; I61-F88 HydrophobicContact CG2-CE2 3.45Å; I61-F88 VanDerWaalsContact CG2-CE2 3.45Å; I61-F88 HydrophobicContact CG2-CZ 3.95Å
62R90.5Very high86.2Confident94 Ų9461.3 Ų61.336%0.35532%0.315SS..Hα-helixtrans-57.4-38.6177.9-73.3178.6-170.4-153.94.6112.6N58 L60 Q66 L79 I82N58-R62 WeakPolarHBondContact O-CB 3.2Å; N58-R62 VanDerWaalsContact O-CG 3.27Å; N58-R62 WeakPolarHBondContact O-CG 3.44Å; N58-R62 PolarHBondContact O-N 3.48Å; L60-R62 VanDerWaalsContact C-N 3.34Å; L60-R62 PolarHBondContact O-N 3.39Å; R62-Q66 VanDerWaalsContact O-CB 3.29Å; R62-Q66 WeakPolarHBondContact O-CB 3.49Å; R62-Q66 WeakPolarHBondContact O-CG 3.42Å; R62-Q66 PolarHBondContact O-N 3.44Å; R62-L79 HydrophobicContact CB-CD2 4.34Å; R62-L79 HydrophobicContact CG-CD2 4.13Å; R62-I82 HydrophobicContact CG-CG2 4.47Å; R62-I82 PolarHBondContact NH2-O 2.84Å
63K89.5Confident85.6Confident131 Ų13162.4 Ų62.457%0.5733%0.328SS*.Hα-helixtrans-67.4-39.5177.2-74.9-175.5176.9-160.50112.6F14 T59 L60 I61 K67F14-K63 HydrophobicContact CE1-CB 4.06Å; F14-K63 HydrophobicContact CZ-CB 3.95Å; T59-K63 WeakPolarHBondContact O-CG 3.49Å; L60-K63 WeakPolarHBondContact O-CB 3.42Å; L60-K63 PolarHBondContact O-N 3.48Å; L60-K63 VanDerWaalsContact O-N 3.13Å; I61-K63 VanDerWaalsContact C-N 3.27Å; I61-K63 PolarHBondContact O-N 3.16Å; K63-K67 WeakPolarHBondContact O-CB 3.42Å; K63-K67 PolarHBondContact O-N 3.2Å; K63-K67 VanDerWaalsContact O-N 3.1Å
64V88.7Confident85Confident0 Ų064.5 Ų64.50%034%0.342CS..Hα-helixtrans-65-49176.6-177.70000109.9F14 L17 E18 L21 L60 I61 Q66 K67 Q68F14-V64 HydrophobicContact CD1-CB 4.3Å; F14-V64 HydrophobicContact CD1-CG2 3.28Å; F14-V64 HydrophobicContact CE1-CB 4.34Å; F14-V64 HydrophobicContact CE1-CG2 3.43Å; F14-V64 VanDerWaalsContact CE1-CG2 3.43Å; F14-V64 HydrophobicContact CG-CG2 3.9Å; F14-V64 HydrophobicContact CZ-CG2 4.17Å; L17-V64 HydrophobicContact CB-CG1 4.22Å; L17-V64 HydrophobicContact CB-CG2 4.47Å; L17-V64 HydrophobicContact CD2-CB 3.86Å; L17-V64 HydrophobicContact CD2-CG1 3.39Å; L17-V64 HydrophobicContact CD2-CG2 4.41Å; L17-V64 HydrophobicContact CG-CG1 4.32Å; E18-V64 HydrophobicContact CG-CG1 3.67Å; L21-V64 HydrophobicContact CD1-CG1 4.23Å; L60-V64 WeakPolarHBondContact O-CG2 3.45Å; L60-V64 PolarHBondContact O-N 3.05Å; L60-V64 VanDerWaalsContact O-N 3.1Å; I61-V64 PolarHBondContact O-N 2.89Å; I61-V64 VanDerWaalsContact O-N 3.12Å; V64-Q66 VanDerWaalsContact C-N 3.35Å; V64-Q66 PolarHBondContact O-N 3.31Å; V64-K67 WeakPolarHBondContact O-CB 3.27Å; V64-K67 PolarHBondContact O-N 3.23Å; V64-K67 VanDerWaalsContact O-N 3.16Å; V64-Q68 PolarHBondContact O-N 3.45Å
65I88.2Confident84.4Confident1 Ų164.9 Ų64.91%0.00534%0.343CS..Hα-helixtrans-59.8-47.3179.1-68171.5000110.1L21 I61 K67 Q68 M69 L75 L78 L79 I82 F88L21-I65 HydrophobicContact CD1-CG1 4.31Å; I61-I65 HydrophobicContact CG2-CD1 3.75Å; I61-I65 HydrophobicContact CG2-CG1 4.45Å; I61-I65 WeakPolarHBondContact O-CG1 3.33Å; I61-I65 PolarHBondContact O-N 2.89Å; I65-K67 VanDerWaalsContact C-N 3.25Å; I65-K67 PolarHBondContact O-N 2.98Å; I65-Q68 CarbonylContact O-C 3.59Å; I65-Q68 PolarHBondContact O-N 2.91Å; I65-M69 HydrophobicContact CG2-CG 4.33Å; I65-M69 HydrophobicContact CG2-SD 4.42Å; I65-M69 VanDerWaalsContact O-CG 3.28Å; I65-M69 WeakPolarHBondContact O-CG 3.28Å; I65-M69 PolarHBondContact O-N 3.44Å; I65-L75 HydrophobicContact CG2-CB 3.98Å; I65-L78 HydrophobicContact CD1-CB 4.45Å; I65-L79 HydrophobicContact CB-CD2 4.19Å; I65-L79 HydrophobicContact CG2-CD2 3.82Å; I65-L79 HydrophobicContact CG2-CG 4.3Å; I65-I82 HydrophobicContact CD1-CD1 3.34Å; I65-F88 HydrophobicContact CD1-CZ 4.31Å
66Q87.3Confident84.1Confident106 Ų10667.2 Ų67.250%0.49535%0.353SS..Hα-helixtrans-59.6-34.2177.9-77.7173.8-18.500113.7R62 V64 M69 L79R62-Q66 VanDerWaalsContact O-CB 3.29Å; R62-Q66 WeakPolarHBondContact O-CB 3.49Å; R62-Q66 WeakPolarHBondContact O-CG 3.42Å; R62-Q66 PolarHBondContact O-N 3.44Å; V64-Q66 VanDerWaalsContact C-N 3.35Å; V64-Q66 PolarHBondContact O-N 3.31Å; Q66-M69 HydrophobicContact CB-CE 4.19Å; Q66-M69 HydrophobicContact CG-CE 3.94Å; Q66-M69 HydrophobicContact CG-SD 4.33Å; Q66-L79 HydrophobicContact CG-CD1 4.37Å
67K86.7Confident84Confident129 Ų12971.5 Ų71.556%0.56136%0.364SS*.Hα-helixtrans-70.5-40.7174.1-175-175.8166.1-153.80111.1E18 K63 V64 I65 M69 G70E18-K67 WeakPolarHBondContact OE1-CD 3.23Å; E18-K67 IonicContact OE1-NZ 3.65Å; E18-K67 PolarHBondContact OE1-NZ 3.46Å; E18-K67 IonicContact OE2-NZ 2.72Å; K63-K67 WeakPolarHBondContact O-CB 3.42Å; K63-K67 PolarHBondContact O-N 3.2Å; K63-K67 VanDerWaalsContact O-N 3.1Å; V64-K67 WeakPolarHBondContact O-CB 3.27Å; V64-K67 PolarHBondContact O-N 3.23Å; V64-K67 VanDerWaalsContact O-N 3.16Å; I65-K67 VanDerWaalsContact C-N 3.25Å; I65-K67 PolarHBondContact O-N 2.98Å; K67-M69 VanDerWaalsContact C-N 3.32Å; K67-G70 PolarHBondContact O-N 3.31Å
68Q82Confident83.8Confident26 Ų2665.2 Ų65.212%0.12134%0.337CS..Hα-helixtrans-73.5-20.9178-163.863.418.200113.2L21 V64 I65 G70 H71 D72 L75L21-Q68 HydrophobicContact CD1-CB 4.37Å; L21-Q68 HydrophobicContact CD1-CG 4.41Å; V64-Q68 PolarHBondContact O-N 3.45Å; I65-Q68 CarbonylContact O-C 3.59Å; I65-Q68 PolarHBondContact O-N 2.91Å; Q68-G70 PolarHBondContact O-N 3.48Å; Q68-G70 VanDerWaalsContact O-N 3.13Å; Q68-H71 WeakPolarHBondContact O-CA 3.34Å; Q68-H71 WeakPolarHBondContact O-CB 3.1Å; Q68-H71 PolarHBondContact O-N 2.95Å; Q68-D72 PolarHBondContact O-N 2.99Å; Q68-L75 HydrophobicContact CB-CD1 3.89Å; Q68-L75 HydrophobicContact CG-CD1 3.57Å
69M74.7Confident83.6Confident50 Ų5064.9 Ų64.925%0.24633%0.334CS..THydrogen-bonded Turntrans-58.7-22.9173.5-75.2175.3-7.700113.1I65 Q66 K67 H71 D72 L75 E76 L79I65-M69 HydrophobicContact CG2-CG 4.33Å; I65-M69 HydrophobicContact CG2-SD 4.42Å; I65-M69 VanDerWaalsContact O-CG 3.28Å; I65-M69 WeakPolarHBondContact O-CG 3.28Å; I65-M69 PolarHBondContact O-N 3.44Å; Q66-M69 HydrophobicContact CB-CE 4.19Å; Q66-M69 HydrophobicContact CG-CE 3.94Å; Q66-M69 HydrophobicContact CG-SD 4.33Å; K67-M69 VanDerWaalsContact C-N 3.32Å; M69-H71 PolarHBondContact O-N 3.33Å; M69-D72 WeakPolarHBondContact CA-O 3.39Å; M69-L75 HydrophobicContact CG-CB 4.46Å; M69-E76 HydrophobicContact SD-CB 4.04Å; M69-E76 HydrophobicContact SD-CG 4.29Å; M69-L79 HydrophobicContact SD-CD1 3.77Å
70G74.7Confident83.5Confident73 Ų7364.8 Ų64.875%0.75334%0.335SS*.THydrogen-bonded Turntrans-66.9-20.5171.400000113.7K67 Q68K67-G70 PolarHBondContact O-N 3.31Å; Q68-G70 PolarHBondContact O-N 3.48Å; Q68-G70 VanDerWaalsContact O-N 3.13Å
71H71.2Confident83.4Confident140 Ų14066.4 Ų66.465%0.64834%0.342SS*.THydrogen-bonded Turntrans-97.2-51.8174.1-60.6-68.8000110.8Q68 M69Q68-H71 WeakPolarHBondContact O-CA 3.34Å; Q68-H71 WeakPolarHBondContact O-CB 3.1Å; Q68-H71 PolarHBondContact O-N 2.95Å; M69-H71 PolarHBondContact O-N 3.33Å
72D74.7Confident83.3Confident78 Ų7866.4 Ų66.442%0.41734%0.342SS..  trans-125.5102.1-176.5-63.4-47.9000111.2Q68 M69 T74 L75Q68-D72 PolarHBondContact O-N 2.99Å; M69-D72 WeakPolarHBondContact CA-O 3.39Å; D72-T74 PolarHBondContact O-N 2.93Å; D72-T74 VanDerWaalsContact O-N 3.15Å; D72-L75 HydrophobicContact CB-CD1 4.25Å; D72-L75 HydrophobicContact CB-CG 4.25Å; D72-L75 PolarHBondContact O-N 3.33Å
73T78.3Confident83.1Confident105 Ų10567.7 Ų67.764%0.64435%0.35SS*.G310 helixtrans-63.7-20.2178.9-42.40000112.5L75 E76T73-L75 PolarHBondContact O-N 3.39Å; T73-E76 WeakPolarHBondContact O-CB 3.47Å; T73-E76 PolarHBondContact O-N 3.34Å
74T77.8Confident83.1Confident63 Ų6367.3 Ų67.339%0.38735%0.35SS..G310 helixtrans-61.6-26.2-179.954.40000113.7D72 E76D72-T74 PolarHBondContact O-N 2.93Å; D72-T74 VanDerWaalsContact O-N 3.15Å; T74-E76 PolarHBondContact O-N 3.3Å
75L80.5Confident83.2Confident11 Ų1170.9 Ų70.96%0.05837%0.37CS..G310 helixtrans-71.1-14.1-179.7-61.6175.2000113.6L21 I65 Q68 M69 D72 T73 K77 L78 F193L21-L75 HydrophobicContact CD1-CD1 4.45Å; L21-L75 HydrophobicContact CD2-CD2 4.31Å; I65-L75 HydrophobicContact CG2-CB 3.98Å; Q68-L75 HydrophobicContact CB-CD1 3.89Å; Q68-L75 HydrophobicContact CG-CD1 3.57Å; M69-L75 HydrophobicContact CG-CB 4.46Å; D72-L75 HydrophobicContact CB-CD1 4.25Å; D72-L75 HydrophobicContact CB-CG 4.25Å; D72-L75 PolarHBondContact O-N 3.33Å; T73-L75 PolarHBondContact O-N 3.39Å; L75-K77 PolarHBondContact O-N 3.33Å; L75-L78 HydrophobicContact CD2-CD1 3.8Å; L75-L78 WeakPolarHBondContact O-CB 3.49Å; L75-L78 PolarHBondContact O-N 3.31Å; L75-F193 HydrophobicContact CD2-CE1 4.1Å; L75-F193 HydrophobicContact CD2-CZ 3.8Å
76E83.8Confident83.3Confident114 Ų11471 Ų7153%0.53337%0.37SS..G310 helixtrans-58.2-35.2177.7-173.5175.1-170.600111.8M69 T73 T74 L78 L79M69-E76 HydrophobicContact SD-CB 4.04Å; M69-E76 HydrophobicContact SD-CG 4.29Å; T73-E76 WeakPolarHBondContact O-CB 3.47Å; T73-E76 PolarHBondContact O-N 3.34Å; T74-E76 PolarHBondContact O-N 3.3Å; E76-L78 PolarHBondContact O-N 3.32Å; E76-L78 VanDerWaalsContact O-N 3.08Å; E76-L79 HydrophobicContact CG-CD1 4.4Å; E76-L79 WeakPolarHBondContact O-CB 3.36Å; E76-L79 PolarHBondContact O-N 3.32Å
77K85.1Confident83.6Confident115 Ų11566 Ų6650%0.535%0.347SS..G310 helixtrans-61.8-18178.2-62.8-175.2-171.2170.50113.4L75 P80 H81 G196 V198L75-K77 PolarHBondContact O-N 3.33Å; K77-P80 WeakPolarHBondContact O-CD 3.32Å; K77-H81 PolarHBondContact O-CD2 2.78Å; K77-H81 VanDerWaalsContact O-CD2 3.24Å; K77-G196 VanDerWaalsContact CD-O 3.27Å; K77-G196 WeakPolarHBondContact CD-O 3.46Å; K77-G196 WeakPolarHBondContact CE-O 3.17Å; K77-G196 PolarHBondContact NZ-O 3.06Å; K77-V198 HydrophobicContact CB-CG2 3.78Å
78L86Confident83.8Confident0 Ų060 Ų600%032%0.321CS..G310 helixtrans-77.8-28.9176.4-64.2171.8000112.7I29 I65 L75 E76 P80 H81 I82 F193 V198I29-L78 HydrophobicContact CD1-CD2 3.59Å; I29-L78 HydrophobicContact CG1-CD2 4.26Å; I65-L78 HydrophobicContact CD1-CB 4.45Å; L75-L78 HydrophobicContact CD2-CD1 3.8Å; L75-L78 WeakPolarHBondContact O-CB 3.49Å; L75-L78 PolarHBondContact O-N 3.31Å; E76-L78 PolarHBondContact O-N 3.32Å; E76-L78 VanDerWaalsContact O-N 3.08Å; L78-P80 VanDerWaalsContact C-CD 3.46Å; L78-H81 PolarHBondContact O-N 3.46Å; L78-H81 VanDerWaalsContact O-N 3.1Å; L78-I82 HydrophobicContact CB-CD1 4.48Å; L78-I82 WeakPolarHBondContact O-CG1 3.42Å; L78-I82 PolarHBondContact O-N 3.41Å; L78-F193 HydrophobicContact CD1-CD2 4.26Å; L78-F193 HydrophobicContact CD1-CE2 4.33Å; L78-F193 HydrophobicContact CD1-CG 4.41Å; L78-F193 HydrophobicContact CD2-CB 3.75Å; L78-F193 HydrophobicContact CD2-CD2 3.59Å; L78-F193 HydrophobicContact CD2-CE2 4.35Å; L78-F193 HydrophobicContact CD2-CG 3.78Å; L78-F193 HydrophobicContact CG-CD2 3.89Å; L78-F193 HydrophobicContact CG-CE2 4.15Å; L78-F193 HydrophobicContact CG-CG 4.37Å; L78-V198 HydrophobicContact CD2-CG2 4.28Å
79L86.5Confident84.4Confident30 Ų3058.8 Ų58.816%0.15732%0.315CS..G310 helixtrans-56.4-41.1-172.6-65.1177.9000114.5R62 I65 Q66 M69 E76 H81 I82R62-L79 HydrophobicContact CB-CD2 4.34Å; R62-L79 HydrophobicContact CG-CD2 4.13Å; I65-L79 HydrophobicContact CB-CD2 4.19Å; I65-L79 HydrophobicContact CG2-CD2 3.82Å; I65-L79 HydrophobicContact CG2-CG 4.3Å; Q66-L79 HydrophobicContact CG-CD1 4.37Å; M69-L79 HydrophobicContact SD-CD1 3.77Å; E76-L79 HydrophobicContact CG-CD1 4.4Å; E76-L79 WeakPolarHBondContact O-CB 3.36Å; E76-L79 PolarHBondContact O-N 3.32Å; L79-H81 VanDerWaalsContact C-N 3.28Å; L79-H81 PolarHBondContact O-N 3.31Å; L79-I82 PolarHBondContact O-N 3.03Å
80P88.3Confident85.2Confident76 Ų7656.5 Ų56.549%0.49430%0.304SS..G310 helixtrans-64.7-30178.7-2335.6000113.7K77 L78 K83K77-P80 WeakPolarHBondContact O-CD 3.32Å; L78-P80 VanDerWaalsContact C-CD 3.46Å; P80-K83 VanDerWaalsContact O-CE 3.28Å; P80-K83 WeakPolarHBondContact O-CE 3.43Å
81H87.5Confident86Confident53 Ų5353 Ų5325%0.24527%0.268CS..G310 helixtrans-86-14.3-174.7-58.7-72.5000113.4I29 K77 L78 L79 K83 Q191I29-H81 HydrophobicContact CD1-CB 3.77Å; K77-H81 PolarHBondContact O-CD2 2.78Å; K77-H81 VanDerWaalsContact O-CD2 3.24Å; L78-H81 PolarHBondContact O-N 3.46Å; L78-H81 VanDerWaalsContact O-N 3.1Å; L79-H81 VanDerWaalsContact C-N 3.28Å; L79-H81 PolarHBondContact O-N 3.31Å; H81-K83 PolarHBondContact O-N 2.95Å; H81-Q191 HydrophobicContact CB-CG 4.43Å
82I87.6Confident86.8Confident0 Ų050.5 Ų50.50%026%0.26CS..  trans-80.269.7177.2-55.3161.2000109.8N58 I61 R62 I65 L78 L79 F88N58-I82 HydrophobicContact CB-CG2 3.97Å; I61-I82 HydrophobicContact CG2-CD1 3.89Å; I61-I82 HydrophobicContact CG2-CG2 4.32Å; R62-I82 HydrophobicContact CG-CG2 4.47Å; R62-I82 PolarHBondContact NH2-O 2.84Å; I65-I82 HydrophobicContact CD1-CD1 3.34Å; L78-I82 HydrophobicContact CB-CD1 4.48Å; L78-I82 WeakPolarHBondContact O-CG1 3.42Å; L78-I82 PolarHBondContact O-N 3.41Å; L79-I82 PolarHBondContact O-N 3.03Å; I82-F88 HydrophobicContact CD1-CZ 3.89Å; I82-F88 HydrophobicContact CG1-CE2 4.47Å; I82-F88 HydrophobicContact CG1-CZ 3.83Å
83K87.1Confident87.3Confident121 Ų12148.5 Ų48.553%0.52626%0.257SS..  trans-129.3149.6175.3-64.7177.5-177.5174.40108.3P80 H81 V86P80-K83 VanDerWaalsContact O-CE 3.28Å; P80-K83 WeakPolarHBondContact O-CE 3.43Å; H81-K83 PolarHBondContact O-N 2.95Å; K83-V86 WeakPolarHBondContact O-CG2 3.28Å
84E88.6Confident87.8Confident122 Ų12247.5 Ų47.557%0.5725%0.248SC*.SBendtrans69.4-153.8-175.8-51.3153.7162.900112.3N58 V86 K190N58-E84 PolarHBondContact ND2-O 2.93Å; N58-E84 PolarHBondContact OD1-O 3.5Å; E84-V86 PolarHBondContact O-N 3.4Å; E84-K190 IonicContact OE2-NZ 3.85Å; E84-K190 PolarHBondContact OE2-NZ 2.88Å
85N90.4Very high88.3Confident76 Ų7644.8 Ų44.841%0.40623%0.231SC..SBendtrans-90.174.9-174.4-173.614.5000111.1N31 V32 D33N31-N85 PolarHBondContact OD1-O 3.46Å; V32-N85 VanDerWaalsContact C-ND2 3.33Å; V32-N85 PolarHBondContact N-O 2.83Å; V32-N85 PolarHBondContact O-ND2 3.13Å; D33-N85 VanDerWaalsContact OD1-CB 3.25Å; D33-N85 WeakPolarHBondContact OD1-CB 3.11Å; D33-N85 PolarHBondContact OD1-ND2 3.36Å
86V91.1Very high88.7Confident3 Ų346.8 Ų46.82%0.01824%0.243CC..EExtended strand (participates in β ladder)trans-96.4141.2-172.1172.50000112.5I29 V30 K83 E84 F88I29-V86 HydrophobicContact CG2-CG1 3.54Å; I29-V86 HydrophobicContact CG2-CG2 4.47Å; V30-V86 CarbonylContact O-C 3.5Å; V30-V86 WeakPolarHBondContact O-CA 3.49Å; K83-V86 WeakPolarHBondContact O-CG2 3.28Å; E84-V86 PolarHBondContact O-N 3.4Å; V86-F88 HydrophobicContact CG1-CE2 4.46Å
87G92Very high88.9Confident0 Ų045.4 Ų45.40%024%0.24CC..EExtended strand (participates in β ladder)trans-123.5161169.200000112.4V30V30-G87 PolarHBondContact N-O 2.95Å; V30-G87 PolarHBondContact O-N 3.46Å
88F92.5Very high89.1Confident4 Ų440 Ų402%0.01822%0.217CC..EExtended strand (participates in β ladder)trans-111.7132.9173.4-68.3-89.4000109.8F28 I29 L53 V54 I61 I65 I82 V86 F90F28-F88 WeakPolarHBondContact O-CA 3.29Å; I29-F88 HydrophobicContact CG1-CD1 4.43Å; I29-F88 HydrophobicContact CG1-CE1 3.98Å; L53-F88 CarbonylContact C-O 3.39Å; L53-F88 WeakPolarHBondContact CA-O 3.34Å; V54-F88 PolarHBondContact N-O 3.22Å; V54-F88 PolarHBondContact O-N 3.47Å; I61-F88 HydrophobicContact CD1-CD2 4.34Å; I61-F88 HydrophobicContact CD1-CE2 4Å; I61-F88 HydrophobicContact CG2-CD2 4.38Å; I61-F88 HydrophobicContact CG2-CE2 3.45Å; I61-F88 VanDerWaalsContact CG2-CE2 3.45Å; I61-F88 HydrophobicContact CG2-CZ 3.95Å; I65-F88 HydrophobicContact CD1-CZ 4.31Å; I82-F88 HydrophobicContact CD1-CZ 3.89Å; I82-F88 HydrophobicContact CG1-CE2 4.47Å; I82-F88 HydrophobicContact CG1-CZ 3.83Å; V86-F88 HydrophobicContact CG1-CE2 4.46Å; F88-F90 HydrophobicContact CB-CD2 4.23Å; F88-F90 HydrophobicContact CB-CE2 3.63Å; F88-F90 HydrophobicContact CB-CZ 3.82Å; F88-F90 HydrophobicContact CD1-CZ 4.44Å; F88-F90 HydrophobicContact CG-CE2 4.44Å; F88-F90 HydrophobicContact CG-CZ 4.21Å
89V93.2Very high89.2Confident0 Ų041.9 Ų41.90%022%0.224CC..EExtended strand (participates in β ladder)trans-110.3111.3165.7-178.30000107.2C27 F28 V30 L47 A51 E52 L53 T91 I98 I102C27-V89 CarbonylContact C-O 3.49Å; C27-V89 WeakPolarHBondContact CA-O 3.43Å; F28-V89 HydrophobicContact CB-CB 4.17Å; F28-V89 HydrophobicContact CD2-CB 4.43Å; F28-V89 PolarHBondContact N-O 3.21Å; F28-V89 PolarHBondContact O-N 3.04Å; V30-V89 HydrophobicContact CG2-CG2 3.82Å; L47-V89 HydrophobicContact CD1-CG1 4.14Å; A51-V89 HydrophobicContact CB-CG1 3.66Å; E52-V89 CarbonylContact O-C 3.49Å; E52-V89 WeakPolarHBondContact O-CA 3.49Å; L53-V89 HydrophobicContact CD1-CG2 3.4Å; L53-V89 VanDerWaalsContact CD1-CG2 3.4Å; V89-T91 HydrophobicContact CG1-CG2 3.91Å; V89-I98 HydrophobicContact CG1-CG2 4.38Å; V89-I102 HydrophobicContact CG1-CD1 4.31Å; V89-I102 HydrophobicContact CG2-CD1 4.25Å
90F93Very high89.4Confident2 Ų245.1 Ų45.11%0.00924%0.238CC..EExtended strand (participates in β ladder)trans-89.8136.8178.9-68.2-74.5000110.6H20 L21 F24 C27 A51 E52 V54 F88H20-F90 HydrophobicContact CB-CD1 4.37Å; H20-F90 HydrophobicContact CB-CD2 3.63Å; H20-F90 HydrophobicContact CB-CE2 3.76Å; H20-F90 HydrophobicContact CB-CG 3.95Å; H20-F90 HydrophobicContact CB-CZ 4.2Å; L21-F90 HydrophobicContact CD2-CE1 3.79Å; L21-F90 HydrophobicContact CD2-CZ 3.99Å; L21-F90 HydrophobicContact CG-CE1 4.43Å; L21-F90 HydrophobicContact CG-CZ 4.35Å; F24-F90 HydrophobicContact CB-CB 3.82Å; F24-F90 HydrophobicContact CB-CD1 4.02Å; F24-F90 HydrophobicContact CB-CG 4.33Å; F24-F90 HydrophobicContact CD1-CB 4.27Å; F24-F90 HydrophobicContact CD2-CB 3.57Å; F24-F90 HydrophobicContact CD2-CG 4.25Å; F24-F90 HydrophobicContact CE2-CB 4.19Å; F24-F90 HydrophobicContact CG-CB 3.63Å; F24-F90 HydrophobicContact CG-CG 4.49Å; C27-F90 HydrophobicContact CB-CD1 3.67Å; C27-F90 HydrophobicContact CB-CE1 3.85Å; C27-F90 HydrophobicContact CB-CG 4.48Å; A51-F90 CarbonylContact C-O 3.55Å; A51-F90 WeakPolarHBondContact CA-O 3.35Å; E52-F90 PolarHBondContact N-O 2.88Å; E52-F90 PolarHBondContact O-N 3.47Å; V54-F90 HydrophobicContact CB-CD2 4.31Å; V54-F90 HydrophobicContact CB-CE2 3.98Å; V54-F90 HydrophobicContact CG2-CD2 3.86Å; V54-F90 HydrophobicContact CG2-CE2 3.89Å; F88-F90 HydrophobicContact CB-CD2 4.23Å; F88-F90 HydrophobicContact CB-CE2 3.63Å; F88-F90 HydrophobicContact CB-CZ 3.82Å; F88-F90 HydrophobicContact CD1-CZ 4.44Å; F88-F90 HydrophobicContact CG-CE2 4.44Å; F88-F90 HydrophobicContact CG-CZ 4.21Å
91T91Very high89.4Confident0 Ų045 Ų450%023%0.229CC..EExtended strand (participates in β ladder)trans-151135.3-169.864.70000111.3K26 F28 A51 V89 I98K26-T91 WeakPolarHBondContact CB-O 3.4Å; K26-T91 PolarHBondContact O-N 3.31Å; K26-T91 VanDerWaalsContact O-O 3.11Å; F28-T91 HydrophobicContact CD2-CG2 4.15Å; F28-T91 HydrophobicContact CE2-CG2 4.19Å; A51-T91 HydrophobicContact CB-CG2 3.63Å; V89-T91 HydrophobicContact CG1-CG2 3.91Å; T91-I98 HydrophobicContact CG2-CB 4.41Å; T91-I98 HydrophobicContact CG2-CD1 3.34Å; T91-I98 HydrophobicContact CG2-CG1 4.36Å; T91-I98 HydrophobicContact CG2-CG2 3.83Å
92N87.9Confident89.4Confident88 Ų8842.5 Ų42.547%0.47122%0.218SC..SBendtrans-105.1-8.3168-75.4-19.1000112.7E23 F24 D25E23-N92 PolarHBondContact O-ND2 3.31Å; F24-N92 VanDerWaalsContact CA-OD1 3.28Å; F24-N92 WeakPolarHBondContact CA-OD1 3.36Å; F24-N92 HydrophobicContact CD1-CB 4.13Å; F24-N92 WeakPolarHBondContact CD1-ND2 3.45Å; F24-N92 VanDerWaalsContact CD1-OD1 3.32Å; F24-N92 WeakPolarHBondContact CD1-OD1 3.29Å; F24-N92 HydrophobicContact CE1-CB 4.41Å; D25-N92 PolarHBondContact N-OD1 2.87Å
93G85.2Confident89.4Confident35 Ų3545.3 Ų45.336%0.36123%0.233SC..SBendtrans-86.5-165.5-179.700000113.8
94D88.9Confident89.4Confident84 Ų8446.5 Ų46.545%0.44924%0.238SC..  trans-65.4134.1174.5-164.6-8.3000111.3T96 D97 I98D94-T96 VanDerWaalsContact C-N 3.33Å; D94-T96 PolarHBondContact OD1-N 3.32Å; D94-T96 VanDerWaalsContact OD1-N 3.11Å; D94-T96 PolarHBondContact OD1-OG1 3.24Å; D94-T96 PolarHBondContact OD2-OG1 2.91Å; D94-D97 HydrophobicContact CB-CB 4.34Å; D94-I98 VanDerWaalsContact O-CD1 3.31Å; D94-I98 WeakPolarHBondContact O-CD1 3.32Å; D94-I98 VanDerWaalsContact O-CG1 3.29Å; D94-I98 WeakPolarHBondContact O-CG1 3.21Å; D94-I98 PolarHBondContact O-N 3.27Å
95L87.8Confident89.2Confident6 Ų642.8 Ų42.83%0.03122%0.222CC..Hα-helixtrans-70.6-33.1179-66.4174.5000111.1K26 F28 R99 V192 Y199 L204K26-L95 HydrophobicContact CB-CD2 3.94Å; K26-L95 HydrophobicContact CD-CD1 4.04Å; K26-L95 HydrophobicContact CD-CD2 3.84Å; K26-L95 HydrophobicContact CD-CG 3.89Å; F28-L95 HydrophobicContact CE1-CD2 4.24Å; F28-L95 HydrophobicContact CE2-CD2 3.69Å; F28-L95 HydrophobicContact CZ-CB 3.83Å; F28-L95 HydrophobicContact CZ-CD2 3.49Å; F28-L95 VanDerWaalsContact CZ-CD2 3.49Å; F28-L95 HydrophobicContact CZ-CG 4.26Å; F28-L95 WeakPolarHBondContact CZ-O 3.28Å; L95-R99 VanDerWaalsContact O-CB 3.27Å; L95-R99 WeakPolarHBondContact O-CB 3.41Å; L95-R99 PolarHBondContact O-N 3.24Å; L95-V192 HydrophobicContact CD1-CG1 4Å; L95-V192 HydrophobicContact CD2-CG1 4.2Å; L95-Y199 WeakPolarHBondContact CD1-OH 3.48Å; L95-L204 HydrophobicContact CB-CD1 4.13Å; L95-L204 HydrophobicContact CB-CD2 4.03Å; L95-L204 HydrophobicContact CD1-CD2 4.06Å
96T88.6Confident88.9Confident53 Ų5344.5 Ų44.533%0.32522%0.223SC..Hα-helixtrans-67.6-52.1-178.263.80000111.1D94 I98 R99 E100D94-T96 VanDerWaalsContact C-N 3.33Å; D94-T96 PolarHBondContact OD1-N 3.32Å; D94-T96 VanDerWaalsContact OD1-N 3.11Å; D94-T96 PolarHBondContact OD1-OG1 3.24Å; D94-T96 PolarHBondContact OD2-OG1 2.91Å; T96-I98 VanDerWaalsContact C-N 3.29Å; T96-I98 PolarHBondContact O-N 3.39Å; T96-R99 WeakPolarHBondContact O-CB 3.29Å; T96-R99 PolarHBondContact O-N 3.35Å; T96-E100 PolarHBondContact O-N 3.29Å
97D88.7Confident88.5Confident85 Ų8546.7 Ų46.746%0.45524%0.236SC..Hα-helixtrans-55-43176.5-79.7-17.2000112.7D94 E100 K101D94-D97 HydrophobicContact CB-CB 4.34Å; D97-E100 PolarHBondContact O-N 2.69Å; D97-K101 WeakPolarHBondContact O-CG 3.44Å; D97-K101 PolarHBondContact O-N 2.99Å
98I89.3Confident88.1Confident3 Ų352.9 Ų52.92%0.01527%0.265CS..Hα-helixtrans-73.8-39.4-177.2-64.2167.7000110.2F28 L47 A51 V89 T91 D94 T96 E100 K101 I102F28-I98 HydrophobicContact CD2-CG2 4.26Å; F28-I98 HydrophobicContact CE2-CB 4.11Å; F28-I98 HydrophobicContact CE2-CG2 3.86Å; L47-I98 HydrophobicContact CD2-CG2 4.18Å; A51-I98 HydrophobicContact CB-CD1 4.36Å; A51-I98 HydrophobicContact CB-CG2 4.15Å; V89-I98 HydrophobicContact CG1-CG2 4.38Å; T91-I98 HydrophobicContact CG2-CB 4.41Å; T91-I98 HydrophobicContact CG2-CD1 3.34Å; T91-I98 HydrophobicContact CG2-CG1 4.36Å; T91-I98 HydrophobicContact CG2-CG2 3.83Å; D94-I98 VanDerWaalsContact O-CD1 3.31Å; D94-I98 WeakPolarHBondContact O-CD1 3.32Å; D94-I98 VanDerWaalsContact O-CG1 3.29Å; D94-I98 WeakPolarHBondContact O-CG1 3.21Å; D94-I98 PolarHBondContact O-N 3.27Å; T96-I98 VanDerWaalsContact C-N 3.29Å; T96-I98 PolarHBondContact O-N 3.39Å; I98-E100 VanDerWaalsContact C-N 3.3Å; I98-E100 PolarHBondContact O-N 2.85Å; I98-K101 PolarHBondContact O-N 3.13Å; I98-I102 HydrophobicContact CG2-CD1 3.8Å; I98-I102 HydrophobicContact CG2-CG1 4.31Å; I98-I102 WeakPolarHBondContact O-CB 3.35Å; I98-I102 WeakPolarHBondContact O-CG1 3.31Å; I98-I102 PolarHBondContact O-N 3.47Å
99R88.8Confident87.8Confident39 Ų3953.2 Ų53.215%0.14727%0.268CS..Hα-helixtrans-57.2-44.8170.9169.5168.1-177.2-154.32.7111.1L95 T96 I102 L103 I189 P201 D205L95-R99 VanDerWaalsContact O-CB 3.27Å; L95-R99 WeakPolarHBondContact O-CB 3.41Å; L95-R99 PolarHBondContact O-N 3.24Å; T96-R99 WeakPolarHBondContact O-CB 3.29Å; T96-R99 PolarHBondContact O-N 3.35Å; R99-I102 PolarHBondContact O-N 3.21Å; R99-L103 HydrophobicContact CG-CD1 3.73Å; R99-L103 HydrophobicContact CG-CG 4.29Å; R99-L103 WeakPolarHBondContact O-CB 3.32Å; R99-L103 VanDerWaalsContact O-CG 3.29Å; R99-L103 WeakPolarHBondContact O-CG 3.44Å; R99-L103 PolarHBondContact O-N 3.15Å; R99-I189 HydrophobicContact CB-CD1 3.9Å; R99-I189 HydrophobicContact CG-CD1 3.66Å; R99-P201 PolarHBondContact NH1-O 2.89Å; R99-D205 IonicContact CZ-OD1 3.41Å; R99-D205 IonicContact CZ-OD2 2.73Å; R99-D205 IonicContact NH1-OD1 3.15Å; R99-D205 PolarHBondContact NH1-OD1 2.94Å; R99-D205 IonicContact NH1-OD2 3.2Å; R99-D205 PolarHBondContact NH1-OD2 2.84Å; R99-D205 VanDerWaalsContact NH1-OD2 3.15Å; R99-D205 IonicContact NH2-OD1 2.75Å; R99-D205 PolarHBondContact NH2-OD1 2.8Å; R99-D205 IonicContact NH2-OD2 3.2Å; R99-D205 PolarHBondContact NH2-OD2 3.22Å
100E89.4Confident87.5Confident98 Ų9855.1 Ų55.146%0.45828%0.281SS..Hα-helixtrans-61.1-46.5175.5-73-165.5-175.600112.3T96 D97 I98 I102 L103 K104T96-E100 PolarHBondContact O-N 3.29Å; D97-E100 PolarHBondContact O-N 2.69Å; I98-E100 VanDerWaalsContact C-N 3.3Å; I98-E100 PolarHBondContact O-N 2.85Å; E100-I102 VanDerWaalsContact C-N 3.26Å; E100-I102 PolarHBondContact O-N 2.93Å; E100-L103 PolarHBondContact O-N 3.1Å; E100-K104 VanDerWaalsContact O-CB 3.32Å; E100-K104 WeakPolarHBondContact O-CB 3.19Å; E100-K104 WeakPolarHBondContact O-CD 3.27Å; E100-K104 WeakPolarHBondContact O-CG 3.37Å; E100-K104 PolarHBondContact O-N 2.81Å; E100-K104 IonicContact OE2-NZ 2.89Å; E100-K104 PolarHBondContact OE2-NZ 3.44Å
101K88.6Confident87.2Confident72 Ų7255.6 Ų55.631%0.31329%0.285SS..Hα-helixtrans-60.6-35.5177.2-73.5174.8-175.9175.90112.3L47 S50 D97 I98 N105L47-K101 HydrophobicContact CD2-CB 4.24Å; S50-K101 PolarHBondContact OG-NZ 2.91Å; D97-K101 WeakPolarHBondContact O-CG 3.44Å; D97-K101 PolarHBondContact O-N 2.99Å; I98-K101 PolarHBondContact O-N 3.13Å; K101-N105 PolarHBondContact O-ND2 2.72Å
102I88.5Confident86.9Confident1 Ų161 Ų611%0.00531%0.308CS..Hα-helixtrans-69-47175.4-68.5167.5000110.4F28 L47 V89 I98 R99 E100 N105 L187 I189F28-I102 HydrophobicContact CD2-CD1 4.33Å; L47-I102 HydrophobicContact CD2-CG1 4.19Å; V89-I102 HydrophobicContact CG1-CD1 4.31Å; V89-I102 HydrophobicContact CG2-CD1 4.25Å; I98-I102 HydrophobicContact CG2-CD1 3.8Å; I98-I102 HydrophobicContact CG2-CG1 4.31Å; I98-I102 WeakPolarHBondContact O-CB 3.35Å; I98-I102 WeakPolarHBondContact O-CG1 3.31Å; I98-I102 PolarHBondContact O-N 3.47Å; R99-I102 PolarHBondContact O-N 3.21Å; E100-I102 VanDerWaalsContact C-N 3.26Å; E100-I102 PolarHBondContact O-N 2.93Å; I102-N105 PolarHBondContact O-N 2.69Å; I102-L187 HydrophobicContact CG2-CB 3.52Å; I102-L187 HydrophobicContact CG2-CD1 4.17Å; I102-L187 HydrophobicContact CG2-CG 4.5Å; I102-I189 HydrophobicContact CD1-CD1 4.36Å; I102-I189 HydrophobicContact CG2-CD1 4.39Å; I102-I189 HydrophobicContact CG2-CG1 4.27Å
103L86.9Confident86.9Confident59 Ų5958.8 Ų58.831%0.30930%0.303SS..Hα-helixtrans-71-31.3-177.6-71.5174.7000113.6R99 E100 N105 R106R99-L103 HydrophobicContact CG-CD1 3.73Å; R99-L103 HydrophobicContact CG-CG 4.29Å; R99-L103 WeakPolarHBondContact O-CB 3.32Å; R99-L103 VanDerWaalsContact O-CG 3.29Å; R99-L103 WeakPolarHBondContact O-CG 3.44Å; R99-L103 PolarHBondContact O-N 3.15Å; E100-L103 PolarHBondContact O-N 3.1Å; L103-N105 PolarHBondContact O-N 3.03Å; L103-R106 WeakPolarHBondContact O-CG 3.45Å
104K88.1Confident87Confident147 Ų14759.7 Ų59.764%0.63931%0.312SS*.Hα-helixtrans-63.3-29.9176.1-76.9166.1-173.8164.80112.1E100 R106E100-K104 VanDerWaalsContact O-CB 3.32Å; E100-K104 WeakPolarHBondContact O-CB 3.19Å; E100-K104 WeakPolarHBondContact O-CD 3.27Å; E100-K104 WeakPolarHBondContact O-CG 3.37Å; E100-K104 PolarHBondContact O-N 2.81Å; E100-K104 IonicContact OE2-NZ 2.89Å; E100-K104 PolarHBondContact OE2-NZ 3.44Å; K104-R106 VanDerWaalsContact C-N 3.3Å; K104-R106 PolarHBondContact O-N 2.95Å; K104-R106 VanDerWaalsContact O-N 3.08Å
105N84.1Confident86.8Confident44 Ų4457 Ų5724%0.23530%0.302CS..  trans-87.756.8-177.4-74.4-58.2000113.3Q39 I43 A46 K101 I102 L103Q39-N105 PolarHBondContact NE2-O 2.98Å; Q39-N105 VanDerWaalsContact NE2-O 3.13Å; I43-N105 HydrophobicContact CG1-CB 3.74Å; A46-N105 WeakPolarHBondContact CB-ND2 3.43Å; K101-N105 PolarHBondContact O-ND2 2.72Å; I102-N105 PolarHBondContact O-N 2.69Å; L103-N105 PolarHBondContact O-N 3.03Å
106R83.8Confident86.8Confident112 Ų11260.6 Ų60.642%0.42332%0.323SS..  trans-92139.4171.5-74.2178-171.3-93.42.6110.7L103 K104L103-R106 WeakPolarHBondContact O-CG 3.45Å; K104-R106 VanDerWaalsContact C-N 3.3Å; K104-R106 PolarHBondContact O-N 2.95Å; K104-R106 VanDerWaalsContact O-N 3.08Å
107V82Confident86.7Confident48 Ų4858 Ų5829%0.29131%0.308SS..EExtended strand (participates in β ladder)trans-118132.6178.1175.50000109.1Q39 T184 Y185Q39-V107 HydrophobicContact CB-CG2 4.14Å; Q39-V107 HydrophobicContact CG-CG2 3.68Å; V107-T184 WeakPolarHBondContact O-CA 3.29Å; V107-Y185 PolarHBondContact N-O 2.9Å; V107-Y185 PolarHBondContact O-N 3.18Å
108E84.7Confident86.6Confident131 Ų13156.8 Ų56.861%0.61230%0.304SS*.EExtended strand (participates in β ladder)trans-66.1135.1171.6-61.7177.6-175.900110.6H181 F183E108-H181 HydrophobicContact CB-CB 3.71Å; E108-F183 CarbonylContact C-O 3.53Å; E108-F183 WeakPolarHBondContact CA-O 3.45Å
109A85Confident86.4Confident10 Ų1059.7 Ų59.78%0.08332%0.324CS..EExtended strand (participates in β ladder)trans-132147.6-177.300000111.5H181 F183 Y185A109-H181 CarbonylContact O-C 3.59Å; A109-H181 WeakPolarHBondContact O-CA 3.47Å; A109-F183 PolarHBondContact N-O 2.83Å; A109-F183 PolarHBondContact O-N 2.8Å; A109-Y185 HydrophobicContact CB-CD2 3.23Å; A109-Y185 HydrophobicContact CB-CE2 3.46Å; A109-Y185 VanDerWaalsContact CB-CE2 3.46Å; A109-Y185 HydrophobicContact CB-CG 4.47Å
110P86.4Confident86.5Confident41 Ų4162.3 Ų62.327%0.26634%0.341SS..PPolyproline II helixtrans-66.3146177.228.6-34.9000110.4K112P110-K112 PolarHBondContact O-N 2.97Å
111A86.9Confident86.5Confident12 Ų1257.8 Ų57.810%0.09932%0.32CS..PPolyproline II helixtrans-63.8131.3169.200000109.6V167 A172 L175 P182 F183A111-V167 HydrophobicContact CB-CG1 4.19Å; A111-A172 HydrophobicContact CB-CB 4.39Å; A111-L175 HydrophobicContact CB-CD1 3.83Å; A111-P182 HydrophobicContact CB-CG 4.29Å; A111-F183 HydrophobicContact CB-CD2 4.3Å; A111-F183 HydrophobicContact CB-CE2 3.8Å; A111-F183 HydrophobicContact CB-CZ 4.18Å
112K85.6Confident86.6Confident112 Ų11258 Ų5849%0.48732%0.324SS..PPolyproline II helixtrans-101.9133.3175.7-69.2179.6-177.8171.80108.6N34 P110 G114 A115N34-K112 PolarHBondContact OD1-NZ 3.19Å; P110-K112 PolarHBondContact O-N 2.97Å; K112-G114 PolarHBondContact O-N 3.26Å; K112-A115 HydrophobicContact CB-CB 4.13Å; K112-A115 WeakPolarHBondContact O-CB 3.45Å; K112-A115 PolarHBondContact O-N 3.37Å; K112-A115 VanDerWaalsContact O-N 3.14Å
113A86.8Confident86.7Confident43 Ų4358 Ų5836%0.35532%0.324SS..THydrogen-bonded Turntrans-58133.4175.600000110.9A115 M169 A172A113-A115 PolarHBondContact O-N 3.32Å; A113-M169 HydrophobicContact CB-CB 4.39Å; A113-M169 HydrophobicContact CB-CE 3.55Å; A113-M169 HydrophobicContact CB-SD 3.59Å; A113-M169 VanDerWaalsContact CB-SD 3.59Å; A113-A172 HydrophobicContact CB-CB 4.39Å
114G87.5Confident86.9Confident54 Ų5458.1 Ų58.156%0.55733%0.328SS*.THydrogen-bonded Turntrans78-4.4-178.800000115.5K112 V167K112-G114 PolarHBondContact O-N 3.26Å; G114-V167 PolarHBondContact N-O 2.66Å
115A85.7Confident87Confident28 Ų2853.2 Ų53.223%0.23132%0.315CS..PPolyproline II helixtrans-73.9146.9170.300000110.4K112 A113 V167K112-A115 HydrophobicContact CB-CB 4.13Å; K112-A115 WeakPolarHBondContact O-CB 3.45Å; K112-A115 PolarHBondContact O-N 3.37Å; K112-A115 VanDerWaalsContact O-N 3.14Å; A113-A115 PolarHBondContact O-N 3.32Å; A115-V167 PolarHBondContact O-N 3.41Å
116V88.1Confident87.3Confident80 Ų8057 Ų5749%0.48533%0.332SS..BIsolated β-bridgetrans-76.6130171.7-179.90000108.6P118 D164V116-P118 WeakPolarHBondContact O-CD 3.48Å; V116-D164 HydrophobicContact CG1-CB 4.42Å
117A86.5Confident87.7Confident0 Ų054.8 Ų54.80%033%0.328CS..PPolyproline II helixtrans-74.3120179.900000111.3C119 V161 D164 E165 V167 F183A117-C119 VanDerWaalsContact C-N 3.31Å; A117-C119 PolarHBondContact O-N 3.11Å; A117-V161 HydrophobicContact CB-CG1 3.63Å; A117-D164 PolarHBondContact O-N 2.92Å; A117-E165 PolarHBondContact N-O 3.04Å; A117-V167 HydrophobicContact CB-CG2 4.29Å; A117-F183 HydrophobicContact CB-CE1 3.87Å; A117-F183 HydrophobicContact CB-CZ 3.86Å
118P85.8Confident87.9Confident58 Ų5853.7 Ų53.738%0.37732%0.322SS..SBendtrans-74.1-20.8177.429.6-36.1000113.7V116 F183V116-P118 WeakPolarHBondContact O-CD 3.48Å; P118-F183 HydrophobicContact CG-CD1 3.94Å; P118-F183 HydrophobicContact CG-CE1 4.37Å; P118-F183 HydrophobicContact CG-CG 4.33Å
119C86.2Confident88.1Confident65 Ų6550.4 Ų50.444%0.43932%0.323SS..SBendtrans-141156.2-178.4-57.60000109.7A117A117-C119 VanDerWaalsContact C-N 3.31Å; A117-C119 PolarHBondContact O-N 3.11Å
120D90.6Very high88.3Confident93 Ų9351.2 Ų51.250%0.49733%0.326SS..  trans-62.4135.9173.4-61.5-52.6000110.8R162 K163D120-R162 WeakPolarHBondContact OD1-CA 3.26Å; D120-K163 PolarHBondContact OD1-N 3.13Å
121V89.6Confident88.4Confident3 Ų351 Ų512%0.01833%0.331CS..EExtended strand (participates in β ladder)trans-108.6108.9179.3-174.40000109.6L160 V161 L175 P182 F183V121-L160 PolarHBondContact O-N 3.1Å; V121-V161 HydrophobicContact CB-CB 4.12Å; V121-V161 HydrophobicContact CB-CG2 4.49Å; V121-V161 HydrophobicContact CG2-CB 4.19Å; V121-V161 PolarHBondContact N-O 3.25Å; V121-V161 PolarHBondContact O-N 3.12Å; V121-L175 HydrophobicContact CG1-CD1 3.88Å; V121-L175 HydrophobicContact CG1-CD2 3.72Å; V121-L175 HydrophobicContact CG1-CG 4.45Å; V121-P182 HydrophobicContact CB-CB 4.28Å; V121-P182 HydrophobicContact CG1-CB 3.69Å; V121-P182 HydrophobicContact CG1-CG 3.84Å; V121-P182 HydrophobicContact CG2-CB 3.74Å; V121-P182 HydrophobicContact CG2-CG 3.89Å; V121-F183 HydrophobicContact CG2-CE1 3.89Å
122I90.9Very high88.5Confident77 Ų7753.4 Ų53.440%0.39535%0.346SS..EExtended strand (participates in β ladder)trans-107.3129.1176.6-51.2176.9000108D157 H159I122-D157 HydrophobicContact CG2-CB 4.06Å; I122-H159 WeakPolarHBondContact CD1-CE1 3.18Å
123V90.2Very high88.8Confident1 Ų156.8 Ų56.81%0.00636%0.363CS..EExtended strand (participates in β ladder)trans-94.4120171175.90000108.7I154 D157 V158 L160 L175 L178 I180V123-I154 HydrophobicContact CG1-CD1 3.49Å; V123-I154 VanDerWaalsContact CG1-CD1 3.49Å; V123-D157 WeakPolarHBondContact O-CA 3.47Å; V123-V158 PolarHBondContact N-O 2.9Å; V123-V158 PolarHBondContact O-N 3.04Å; V123-V158 VanDerWaalsContact O-N 3.17Å; V123-L160 HydrophobicContact CB-CD1 4.42Å; V123-L160 HydrophobicContact CG2-CD1 3.31Å; V123-L160 HydrophobicContact CG2-CG 3.82Å; V123-L175 HydrophobicContact CG2-CD2 3.9Å; V123-L178 HydrophobicContact CG1-CD1 3.78Å; V123-I180 HydrophobicContact CG1-CD1 4.3Å
124P90.3Very high88.8Confident61 Ų6158.3 Ų58.340%0.39636%0.362SS..  trans-73.2154.1-178.930-34.7000112.2Q126 D157P124-Q126 PolarHBondContact O-N 3.24Å; P124-D157 VanDerWaalsContact CA-OD1 3.27Å; P124-D157 WeakPolarHBondContact CA-OD1 3.38Å
125A91.1Very high88.8Confident45 Ų4557.4 Ų57.437%0.37235%0.345SS..SBendtrans-63.2100.4169.800000109.7I154 D157A125-I154 WeakPolarHBondContact CA-O 3.29Å; A125-D157 PolarHBondContact N-OD1 2.65Å
126Q90.8Very high88.9Confident123 Ų12358.9 Ų58.958%0.57536%0.358SS*.  trans-147.6148.5-175.6-176.556.446.300110.1P124 T128 I154P124-Q126 PolarHBondContact O-N 3.24Å; Q126-T128 PolarHBondContact O-N 3.17Å; Q126-I154 PolarHBondContact O-N 3.06Å
127N90.6Very high88.9Confident65 Ų6560.5 Ų60.535%0.34836%0.358SS..BIsolated β-bridgetrans-68.4117.9167.4-174-11.3000109.4G129 A151 I152N127-G129 VanDerWaalsContact C-N 3.32Å; N127-G129 PolarHBondContact O-N 3.08Å; N127-G129 PolarHBondContact OD1-N 3.18Å; N127-G129 VanDerWaalsContact OD1-N 3.13Å; N127-A151 WeakPolarHBondContact OD1-CB 3.21Å; N127-I152 PolarHBondContact OD1-O 3.24Å
128T87Confident89Confident26 Ų2660.6 Ų60.616%0.1636%0.359CS..  trans-77.5-17.3-172.266.80000113.3Q126 L130 F138 I152 I154 L178Q126-T128 PolarHBondContact O-N 3.17Å; T128-L130 PolarHBondContact O-N 3Å; T128-L130 PolarHBondContact OG1-N 3.01Å; T128-F138 HydrophobicContact CG2-CE1 4.06Å; T128-F138 HydrophobicContact CG2-CZ 3.83Å; T128-I152 WeakPolarHBondContact CB-O 3.4Å; T128-I152 WeakPolarHBondContact CG2-O 3.46Å; T128-I152 PolarHBondContact N-O 3.49Å; T128-I152 PolarHBondContact OG1-O 2.87Å; T128-I154 HydrophobicContact CG2-CD1 3.75Å; T128-I154 HydrophobicContact CG2-CG1 3.79Å; T128-L178 HydrophobicContact CG2-CD2 3.46Å; T128-L178 VanDerWaalsContact CG2-CD2 3.46Å
129G88.8Confident89.2Confident62 Ų6264.3 Ų64.364%0.63937%0.371SS*.  trans67.85.5-174.800000114.5N127N127-G129 VanDerWaalsContact C-N 3.32Å; N127-G129 PolarHBondContact O-N 3.08Å; N127-G129 PolarHBondContact OD1-N 3.18Å; N127-G129 VanDerWaalsContact OD1-N 3.13Å
130L88.4Confident89.3Confident27 Ų2765.1 Ų65.114%0.14138%0.383CS..  trans-84.6141.2174.8-62.1176.8000110.2T128 K134 F138 A151 I152 M177T128-L130 PolarHBondContact O-N 3Å; T128-L130 PolarHBondContact OG1-N 3.01Å; L130-K134 HydrophobicContact CB-CD 4.48Å; L130-K134 HydrophobicContact CD1-CD 4.24Å; L130-K134 HydrophobicContact CD2-CD 4.19Å; L130-F138 HydrophobicContact CD1-CE2 4.04Å; L130-F138 HydrophobicContact CD1-CZ 4.02Å; L130-A151 WeakPolarHBondContact O-CA 3.39Å; L130-I152 HydrophobicContact CB-CD1 4.44Å; L130-I152 PolarHBondContact O-N 2.86Å; L130-M177 HydrophobicContact CD1-CB 4.3Å; L130-M177 HydrophobicContact CD1-SD 4.49Å
131G90.1Very high89.2Confident36 Ų3662.2 Ų62.237%0.37137%0.367SS..  trans-68.9164.3176.100000113.2E133 K134 I152G131-E133 PolarHBondContact O-N 2.82Å; G131-E133 VanDerWaalsContact O-N 3.11Å; G131-K134 PolarHBondContact O-N 3.44Å; G131-I152 VanDerWaalsContact O-CD1 3.31Å; G131-I152 WeakPolarHBondContact O-CD1 3.41Å
132P89.1Confident89Confident63 Ų6367.1 Ų67.141%0.40940%0.401SS..G310 helixtrans-65.1-18.8-17227.3-35.6000113.9K134 T135 I147 G150P132-K134 PolarHBondContact O-N 3.32Å; P132-T135 WeakPolarHBondContact O-CB 3.27Å; P132-T135 WeakPolarHBondContact O-CG2 3.28Å; P132-T135 PolarHBondContact O-N 2.87Å; P132-T135 VanDerWaalsContact O-N 3.15Å; P132-T135 PolarHBondContact O-OG1 2.97Å; P132-I147 HydrophobicContact CB-CD1 4.21Å; P132-G150 WeakPolarHBondContact CD-O 3.02Å
133E90.7Very high89Confident182 Ų18263.7 Ų63.785%0.8538%0.384SS*.G310 helixtrans-56.7-30.7176-62.7177179.800112.9G131 T135G131-E133 PolarHBondContact O-N 2.82Å; G131-E133 VanDerWaalsContact O-N 3.11Å; E133-T135 VanDerWaalsContact C-N 3.35Å
134K86.6Confident89Confident76 Ų7666.3 Ų66.333%0.3340%0.401SS..G310 helixtrans-90.16.5-177.1-65.4-172.9177.5-174.70114L130 G131 P132 A136 F137 I152 M177L130-K134 HydrophobicContact CB-CD 4.48Å; L130-K134 HydrophobicContact CD1-CD 4.24Å; L130-K134 HydrophobicContact CD2-CD 4.19Å; G131-K134 PolarHBondContact O-N 3.44Å; P132-K134 PolarHBondContact O-N 3.32Å; K134-A136 PolarHBondContact O-N 3.06Å; K134-F137 HydrophobicContact CB-CD2 4.07Å; K134-F137 HydrophobicContact CG-CD2 4.33Å; K134-F137 HydrophobicContact CG-CE2 4.48Å; K134-F137 WeakPolarHBondContact O-CB 3.43Å; K134-F137 PolarHBondContact O-N 2.98Å; K134-F137 VanDerWaalsContact O-N 3.08Å; K134-I152 HydrophobicContact CB-CD1 4.25Å; K134-M177 HydrophobicContact CD-SD 3.97Å; K134-M177 PolarHBondContact NZ-SD 3.45Å; K134-M177 VanDerWaalsContact NZ-SD 3.4Å
135T87.6Confident89Confident34 Ų3465 Ų6521%0.20939%0.392CS..Hα-helixtrans-57.1-33.5179.1460000113P132 E133 F137 F138 Q139 I147 I152P132-T135 WeakPolarHBondContact O-CB 3.27Å; P132-T135 WeakPolarHBondContact O-CG2 3.28Å; P132-T135 PolarHBondContact O-N 2.87Å; P132-T135 VanDerWaalsContact O-N 3.15Å; P132-T135 PolarHBondContact O-OG1 2.97Å; E133-T135 VanDerWaalsContact C-N 3.35Å; T135-F137 PolarHBondContact O-N 3.11Å; T135-F138 PolarHBondContact O-N 3.44Å; T135-F138 VanDerWaalsContact O-N 3.16Å; T135-Q139 PolarHBondContact O-N 3.02Å; T135-Q139 VanDerWaalsContact O-N 3.14Å; T135-I147 HydrophobicContact CG2-CD1 4.23Å; T135-I147 HydrophobicContact CG2-CG1 4.3Å; T135-I152 HydrophobicContact CG2-CD1 3.62Å; T135-I152 HydrophobicContact CG2-CG1 3.74Å
136A89.1Confident89.1Confident60 Ų6069.5 Ų69.550%0.49640%0.403SS..Hα-helixtrans-57.4-33176.600000113.5K134 A140K134-A136 PolarHBondContact O-N 3.06Å; A136-A140 WeakPolarHBondContact O-CB 3.38Å; A136-A140 PolarHBondContact O-N 3.17Å
137F86.4Confident89.1Confident114 Ų11468.3 Ų68.350%0.540%0.399SS..Hα-helixtrans-68.9-38178.6-71.8-79.6000112.5K134 T135 L141K134-F137 HydrophobicContact CB-CD2 4.07Å; K134-F137 HydrophobicContact CG-CD2 4.33Å; K134-F137 HydrophobicContact CG-CE2 4.48Å; K134-F137 WeakPolarHBondContact O-CB 3.43Å; K134-F137 PolarHBondContact O-N 2.98Å; K134-F137 VanDerWaalsContact O-N 3.08Å; T135-F137 PolarHBondContact O-N 3.11Å; F137-L141 PolarHBondContact O-N 3.44Å
138F90Very high89Confident1 Ų166.3 Ų66.30%0.00439%0.392CS..Hα-helixtrans-72.5-36.9178.1-68.5-86.9000111.6T128 L130 T135 L141 S142 I143 T145 I152 I154 L174 L178T128-F138 HydrophobicContact CG2-CE1 4.06Å; T128-F138 HydrophobicContact CG2-CZ 3.83Å; L130-F138 HydrophobicContact CD1-CE2 4.04Å; L130-F138 HydrophobicContact CD1-CZ 4.02Å; T135-F138 PolarHBondContact O-N 3.44Å; T135-F138 VanDerWaalsContact O-N 3.16Å; F138-L141 PolarHBondContact O-N 3.06Å; F138-S142 PolarHBondContact O-N 3.43Å; F138-I143 HydrophobicContact CB-CB 4.41Å; F138-I143 HydrophobicContact CD1-CB 4.33Å; F138-I143 HydrophobicContact CD1-CD1 4.02Å; F138-I143 HydrophobicContact CD1-CG2 4.25Å; F138-I143 PolarHBondContact O-N 3.44Å; F138-T145 HydrophobicContact CB-CG2 3.64Å; F138-T145 HydrophobicContact CD1-CG2 3.74Å; F138-T145 HydrophobicContact CG-CG2 3.75Å; F138-I152 HydrophobicContact CD2-CD1 3.88Å; F138-I152 HydrophobicContact CD2-CG2 3.99Å; F138-I152 HydrophobicContact CE2-CB 4.43Å; F138-I152 HydrophobicContact CE2-CD1 3.75Å; F138-I152 HydrophobicContact CE2-CG2 4.04Å; F138-I152 HydrophobicContact CG-CG2 4.39Å; F138-I152 HydrophobicContact CZ-CG2 4.47Å; F138-I154 HydrophobicContact CE1-CD1 4.06Å; F138-I154 HydrophobicContact CE1-CG1 4.23Å; F138-L174 HydrophobicContact CD1-CD1 4.14Å; F138-L174 HydrophobicContact CE1-CD1 3.55Å; F138-L174 HydrophobicContact CE1-CD2 4.43Å; F138-L174 HydrophobicContact CE2-CD1 4.36Å; F138-L174 HydrophobicContact CZ-CD1 3.67Å; F138-L178 HydrophobicContact CZ-CD2 4.37Å
139Q88.8Confident89.1Confident137 Ų13777.5 Ų77.564%0.6443%0.431SS*.Hα-helixtrans-64.2-41.2174.2-69.3177.6-7.400112.1T135 L141 S142T135-Q139 PolarHBondContact O-N 3.02Å; T135-Q139 VanDerWaalsContact O-N 3.14Å; Q139-L141 PolarHBondContact O-N 3.34Å; Q139-S142 PolarHBondContact O-N 2.91Å
140A89.1Confident89.1Confident82 Ų8276.9 Ų76.968%0.67843%0.425SS*.Hα-helixtrans-62.8-29.8177.700000113.2A136 S142A136-A140 WeakPolarHBondContact O-CB 3.38Å; A136-A140 PolarHBondContact O-N 3.17Å; A140-S142 VanDerWaalsContact C-N 3.33Å
141L87.2Confident89.2Confident32 Ų3276.3 Ų76.317%0.16842%0.424CS..THydrogen-bonded Turntrans-92.38.8176.2-68.4172.4000113.1F137 F138 Q139 I143 E171 L174F137-L141 PolarHBondContact O-N 3.44Å; F138-L141 PolarHBondContact O-N 3.06Å; Q139-L141 PolarHBondContact O-N 3.34Å; L141-I143 HydrophobicContact CB-CD1 3.96Å; L141-I143 HydrophobicContact CB-CG1 4.01Å; L141-I143 HydrophobicContact CD1-CD1 4.44Å; L141-I143 PolarHBondContact O-N 2.91Å; L141-E171 HydrophobicContact CD2-CG 3.86Å; L141-L174 HydrophobicContact CD1-CB 3.89Å; L141-L174 HydrophobicContact CD1-CD2 3.49Å; L141-L174 VanDerWaalsContact CD1-CD2 3.49Å; L141-L174 HydrophobicContact CD1-CG 4.24Å
142S86.9Confident89.2Confident105 Ų10574.6 Ų74.673%0.73441%0.406SS*.THydrogen-bonded Turntrans5631.5-178.6-55.40000114.1F138 Q139 A140F138-S142 PolarHBondContact O-N 3.43Å; Q139-S142 PolarHBondContact O-N 2.91Å; A140-S142 VanDerWaalsContact C-N 3.33Å
143I89.6Confident89.3Confident6 Ų675.3 Ų75.33%0.03140%0.404CS..  trans-88.7121.1177.5-57.2170.9000108.5F138 L141 T145 I154 V158 L160 L174F138-I143 HydrophobicContact CB-CB 4.41Å; F138-I143 HydrophobicContact CD1-CB 4.33Å; F138-I143 HydrophobicContact CD1-CD1 4.02Å; F138-I143 HydrophobicContact CD1-CG2 4.25Å; F138-I143 PolarHBondContact O-N 3.44Å; L141-I143 HydrophobicContact CB-CD1 3.96Å; L141-I143 HydrophobicContact CB-CG1 4.01Å; L141-I143 HydrophobicContact CD1-CD1 4.44Å; L141-I143 PolarHBondContact O-N 2.91Å; I143-T145 HydrophobicContact CG2-CG2 4.04Å; I143-T145 PolarHBondContact O-N 3.24Å; I143-I154 HydrophobicContact CG2-CG1 4.28Å; I143-I154 HydrophobicContact CG2-CG2 3.91Å; I143-V158 HydrophobicContact CG1-CG1 4.47Å; I143-V158 HydrophobicContact CG2-CG2 4.18Å; I143-L160 HydrophobicContact CD1-CD2 3.75Å; I143-L160 HydrophobicContact CG1-CD2 4.01Å; I143-L174 HydrophobicContact CD1-CD2 3.31Å
144P91.4Very high89.3Confident56 Ų5666.9 Ų66.936%0.36437%0.365SS..  trans-71.5114.2176.829.3-31.6000110I155 V158P144-I155 HydrophobicContact CB-CD1 4.42Å; P144-I155 PolarHBondContact O-N 3.2Å; P144-I155 VanDerWaalsContact O-N 3.09Å; P144-V158 HydrophobicContact CG-CG2 4.43Å
145T90Very high89.6Confident34 Ų3467.5 Ų67.521%0.20937%0.371CS..EExtended strand (participates in β ladder)trans-123.9148.5-179.760.40000112F138 I143 I152 E153 I154F138-T145 HydrophobicContact CB-CG2 3.64Å; F138-T145 HydrophobicContact CD1-CG2 3.74Å; F138-T145 HydrophobicContact CG-CG2 3.75Å; I143-T145 HydrophobicContact CG2-CG2 4.04Å; I143-T145 PolarHBondContact O-N 3.24Å; T145-I152 HydrophobicContact CG2-CG2 3.7Å; T145-E153 CarbonylContact C-O 3.5Å; T145-E153 VanDerWaalsContact CA-O 3.22Å; T145-E153 WeakPolarHBondContact CA-O 3.41Å; T145-E153 WeakPolarHBondContact CB-O 3.19Å; T145-I154 HydrophobicContact CG2-CG1 4.2Å
146K92.4Very high89.7Confident139 Ų13970.8 Ų70.860%0.60439%0.387SS*.EExtended strand (participates in β ladder)trans-121.3144.1171.9-172.9176.4179.1-179.10109.5A148 E153 I155K146-A148 PolarHBondContact O-N 3.12Å; K146-E153 PolarHBondContact N-O 2.75Å; K146-E153 PolarHBondContact O-N 2.81Å; K146-I155 HydrophobicContact CB-CD1 4.12Å; K146-I155 HydrophobicContact CB-CG1 4.12Å
147I90.6Very high89.8Confident97 Ų9772.8 Ų72.850%0.49739%0.389SS..EExtended strand (participates in β ladder)trans-85115.1173.5-56.7171.7000107.7P132 T135 A151P132-I147 HydrophobicContact CB-CD1 4.21Å; T135-I147 HydrophobicContact CG2-CD1 4.23Å; T135-I147 HydrophobicContact CG2-CG1 4.3Å; I147-A151 WeakPolarHBondContact CA-O 3.35Å
148A89.5Confident90Very high23 Ų2368.8 Ų68.819%0.1937%0.374CS..EExtended strand (participates in β ladder)trans-124.9126177.800000109.5K146 G150 A151 E153K146-A148 PolarHBondContact O-N 3.12Å; A148-G150 PolarHBondContact O-N 2.97Å; A148-G150 VanDerWaalsContact O-N 3.11Å; A148-A151 PolarHBondContact N-O 3.43Å; A148-A151 PolarHBondContact O-N 2.73Å; A148-A151 VanDerWaalsContact O-O 3.12Å; A148-E153 HydrophobicContact CB-CB 4.29Å; A148-E153 WeakPolarHBondContact CB-OE2 3.47Å
149R88.5Confident90Very high261 Ų26174.6 Ų74.699%0.98540%0.401SS*.THydrogen-bonded Turntrans52.335178.2-55.6179.7179.5177.90.4113.9A151R149-A151 VanDerWaalsContact C-N 3.33Å; R149-A151 PolarHBondContact O-N 3.16Å
150G89.6Confident89.9Confident50 Ų5069.1 Ų69.152%0.51538%0.376SS..THydrogen-bonded Turntrans81.11.617900000115.7P132 A148P132-G150 WeakPolarHBondContact CD-O 3.02Å; A148-G150 PolarHBondContact O-N 2.97Å; A148-G150 VanDerWaalsContact O-N 3.11Å
151A90.3Very high90Very high14 Ų1465.2 Ų65.212%0.11634%0.344CS..EExtended strand (participates in β ladder)trans-117.6158.8174.100000111.6N127 L130 I147 A148 R149N127-A151 WeakPolarHBondContact OD1-CB 3.21Å; L130-A151 WeakPolarHBondContact O-CA 3.39Å; I147-A151 WeakPolarHBondContact CA-O 3.35Å; A148-A151 PolarHBondContact N-O 3.43Å; A148-A151 PolarHBondContact O-N 2.73Å; A148-A151 VanDerWaalsContact O-O 3.12Å; R149-A151 VanDerWaalsContact C-N 3.33Å; R149-A151 PolarHBondContact O-N 3.16Å
152I90.3Very high90.1Very high0 Ų072.6 Ų72.60%037%0.37CS..EExtended strand (participates in β ladder)trans-81.5121.9176.2-54.8169.3000109.2N127 T128 L130 G131 K134 T135 F138 T145N127-I152 PolarHBondContact OD1-O 3.24Å; T128-I152 WeakPolarHBondContact CB-O 3.4Å; T128-I152 WeakPolarHBondContact CG2-O 3.46Å; T128-I152 PolarHBondContact N-O 3.49Å; T128-I152 PolarHBondContact OG1-O 2.87Å; L130-I152 HydrophobicContact CB-CD1 4.44Å; L130-I152 PolarHBondContact O-N 2.86Å; G131-I152 VanDerWaalsContact O-CD1 3.31Å; G131-I152 WeakPolarHBondContact O-CD1 3.41Å; K134-I152 HydrophobicContact CB-CD1 4.25Å; T135-I152 HydrophobicContact CG2-CD1 3.62Å; T135-I152 HydrophobicContact CG2-CG1 3.74Å; F138-I152 HydrophobicContact CD2-CD1 3.88Å; F138-I152 HydrophobicContact CD2-CG2 3.99Å; F138-I152 HydrophobicContact CE2-CB 4.43Å; F138-I152 HydrophobicContact CE2-CD1 3.75Å; F138-I152 HydrophobicContact CE2-CG2 4.04Å; F138-I152 HydrophobicContact CG-CG2 4.39Å; F138-I152 HydrophobicContact CZ-CG2 4.47Å; T145-I152 HydrophobicContact CG2-CG2 3.7Å
153E91Very high90.2Very high79 Ų7973.3 Ų73.337%0.36936%0.359SS..EExtended strand (participates in β ladder)trans-109.5130.3175.4-173.3172.1-154.700110.1T145 K146 A148T145-E153 CarbonylContact C-O 3.5Å; T145-E153 VanDerWaalsContact CA-O 3.22Å; T145-E153 WeakPolarHBondContact CA-O 3.41Å; T145-E153 WeakPolarHBondContact CB-O 3.19Å; K146-E153 PolarHBondContact N-O 2.75Å; K146-E153 PolarHBondContact O-N 2.81Å; A148-E153 HydrophobicContact CB-CB 4.29Å; A148-E153 WeakPolarHBondContact CB-OE2 3.47Å
154I91.2Very high90.2Very high4 Ų478.4 Ų78.42%0.02139%0.387CS..EExtended strand (participates in β ladder)trans-82.8126.4175.3-60.6172.7000108V123 A125 Q126 T128 F138 I143 T145 N156 L178V123-I154 HydrophobicContact CG1-CD1 3.49Å; V123-I154 VanDerWaalsContact CG1-CD1 3.49Å; A125-I154 WeakPolarHBondContact CA-O 3.29Å; Q126-I154 PolarHBondContact O-N 3.06Å; T128-I154 HydrophobicContact CG2-CD1 3.75Å; T128-I154 HydrophobicContact CG2-CG1 3.79Å; F138-I154 HydrophobicContact CE1-CD1 4.06Å; F138-I154 HydrophobicContact CE1-CG1 4.23Å; I143-I154 HydrophobicContact CG2-CG1 4.28Å; I143-I154 HydrophobicContact CG2-CG2 3.91Å; T145-I154 HydrophobicContact CG2-CG1 4.2Å; I154-N156 VanDerWaalsContact CG2-O 3.23Å; I154-N156 WeakPolarHBondContact CG2-O 3.41Å; I154-L178 HydrophobicContact CD1-CD1 4.36Å
155I91.7Very high90.1Very high90 Ų9080.2 Ų80.246%0.46239%0.39SS..  trans-76.9-44.9-172-58.1174.4000111.6P144 K146P144-I155 HydrophobicContact CB-CD1 4.42Å; P144-I155 PolarHBondContact O-N 3.2Å; P144-I155 VanDerWaalsContact O-N 3.09Å; K146-I155 HydrophobicContact CB-CD1 4.12Å; K146-I155 HydrophobicContact CB-CG1 4.12Å
156N90.8Very high90.2Very high102 Ų10286 Ų8655%0.54541%0.413SS..SBendtrans-132.8156.3-173.7-67.1-27.9000110.5I154 V158I154-N156 VanDerWaalsContact CG2-O 3.23Å; I154-N156 WeakPolarHBondContact CG2-O 3.41Å; N156-V158 PolarHBondContact O-N 3.15Å
157D90.9Very high90Very high102 Ų10279.6 Ų79.655%0.54539%0.385SS..  trans-64.3125.4171.8-63.9-5.9000110I122 V123 P124 A125I122-D157 HydrophobicContact CG2-CB 4.06Å; V123-D157 WeakPolarHBondContact O-CA 3.47Å; P124-D157 VanDerWaalsContact CA-OD1 3.27Å; P124-D157 WeakPolarHBondContact CA-OD1 3.38Å; A125-D157 PolarHBondContact N-OD1 2.65Å
158V90.5Very high90Very high30 Ų3076.1 Ų76.118%0.18237%0.373CS..EExtended strand (participates in β ladder)trans-118.1128.3179.8-177.90000110V123 I143 P144 N156 L160V123-V158 PolarHBondContact N-O 2.9Å; V123-V158 PolarHBondContact O-N 3.04Å; V123-V158 VanDerWaalsContact O-N 3.17Å; I143-V158 HydrophobicContact CG1-CG1 4.47Å; I143-V158 HydrophobicContact CG2-CG2 4.18Å; P144-V158 HydrophobicContact CG-CG2 4.43Å; N156-V158 PolarHBondContact O-N 3.15Å; V158-L160 HydrophobicContact CG1-CD2 4.17Å; V158-L160 PolarHBondContact O-N 2.96Å
159H89.5Confident90.1Very high124 Ų12481.4 Ų81.457%0.57440%0.396SS*.EExtended strand (participates in β ladder)trans-72.8111167.9-68.4-93.8000109.1I122I122-H159 WeakPolarHBondContact CD1-CE1 3.18Å
160L87.5Confident90.1Very high21 Ų2172.1 Ų72.111%0.1137%0.371CS..EExtended strand (participates in β ladder)trans-87.5-44.7177.7-66.9-172.7000112.4V121 V123 I143 V158 L174 L175V121-L160 PolarHBondContact O-N 3.1Å; V123-L160 HydrophobicContact CB-CD1 4.42Å; V123-L160 HydrophobicContact CG2-CD1 3.31Å; V123-L160 HydrophobicContact CG2-CG 3.82Å; I143-L160 HydrophobicContact CD1-CD2 3.75Å; I143-L160 HydrophobicContact CG1-CD2 4.01Å; V158-L160 HydrophobicContact CG1-CD2 4.17Å; V158-L160 PolarHBondContact O-N 2.96Å; L160-L174 HydrophobicContact CD1-CD2 3.96Å; L160-L175 HydrophobicContact CD1-CD2 4.3Å; L160-L175 HydrophobicContact CD1-CG 4.41Å
161V89.9Confident90.1Very high1 Ų171.4 Ų71.41%0.00635%0.354CS..EExtended strand (participates in β ladder)trans-135.5127.6-174-171.20000108.9A117 V121 E165 V167 E171A117-V161 HydrophobicContact CB-CG1 3.63Å; V121-V161 HydrophobicContact CB-CB 4.12Å; V121-V161 HydrophobicContact CB-CG2 4.49Å; V121-V161 HydrophobicContact CG2-CB 4.19Å; V121-V161 PolarHBondContact N-O 3.25Å; V121-V161 PolarHBondContact O-N 3.12Å; V161-E165 HydrophobicContact CG1-CB 3.98Å; V161-E165 HydrophobicContact CG1-CG 4.47Å; V161-V167 HydrophobicContact CG1-CG2 4.28Å; V161-E171 HydrophobicContact CG2-CB 4.45Å; V161-E171 HydrophobicContact CG2-CG 4.49Å; V161-E171 VanDerWaalsContact CG2-OE2 3.3Å; V161-E171 WeakPolarHBondContact CG2-OE2 3.44Å
162R89.8Confident90.1Very high186 Ų18671.3 Ų71.370%0.70235%0.353SS*.  trans-82.1158.8171.5-68.2-176.9177.7-176-0.2111D120 D164 E165D120-R162 WeakPolarHBondContact OD1-CA 3.26Å; R162-D164 PolarHBondContact O-N 3.42Å; R162-E165 PolarHBondContact N-OE2 3.1Å; R162-E165 VanDerWaalsContact O-CB 3.24Å; R162-E165 WeakPolarHBondContact O-CB 3.46Å; R162-E165 PolarHBondContact O-N 3.28Å; R162-E165 VanDerWaalsContact O-N 3.15Å
163K89.8Confident90.1Very high120 Ų12074.2 Ų74.252%0.52237%0.371SS..THydrogen-bonded Turntrans-54.3137.8171.8-169.4-174.8172.3-1730110.1D120 E165D120-K163 PolarHBondContact OD1-N 3.13Å; K163-E165 PolarHBondContact O-N 3.43Å
164D88.4Confident90Very high113 Ų11370.9 Ų70.960%0.60436%0.356SS*.THydrogen-bonded Turntrans68.16.2-179.9-54.6-51.3000115.3V116 A117 R162V116-D164 HydrophobicContact CG1-CB 4.42Å; A117-D164 PolarHBondContact O-N 2.92Å; R162-D164 PolarHBondContact O-N 3.42Å
165E90.7Very high89.9Confident94 Ų9470.7 Ų70.744%0.43936%0.355SS..PPolyproline II helixtrans-83.8150.7171.4-168.1167.6-163.200111.5A117 V161 R162 K163A117-E165 PolarHBondContact N-O 3.04Å; V161-E165 HydrophobicContact CG1-CB 3.98Å; V161-E165 HydrophobicContact CG1-CG 4.47Å; R162-E165 PolarHBondContact N-OE2 3.1Å; R162-E165 VanDerWaalsContact O-CB 3.24Å; R162-E165 WeakPolarHBondContact O-CB 3.46Å; R162-E165 PolarHBondContact O-N 3.28Å; R162-E165 VanDerWaalsContact O-N 3.15Å; K163-E165 PolarHBondContact O-N 3.43Å
166K90.6Very high89.8Confident157 Ų15768.3 Ų68.368%0.68335%0.352SS*.BIsolated β-bridgetrans-80.5125175.8-70.4-177.7-179.6176.70109.5G168K166-G168 PolarHBondContact O-N 3.1Å
167V90Very high89.6Confident4 Ų466.5 Ų66.52%0.02434%0.341CS..PPolyproline II helixtrans-67124.1177.1-174.30000110.6A111 G114 A115 A117 V161 E171 A172 F183A111-V167 HydrophobicContact CB-CG1 4.19Å; G114-V167 PolarHBondContact N-O 2.66Å; A115-V167 PolarHBondContact O-N 3.41Å; A117-V167 HydrophobicContact CB-CG2 4.29Å; V161-V167 HydrophobicContact CG1-CG2 4.28Å; V167-E171 HydrophobicContact CG1-CB 4.15Å; V167-A172 HydrophobicContact CG1-CB 3.85Å; V167-F183 HydrophobicContact CG2-CE2 4.15Å; V167-F183 HydrophobicContact CG2-CZ 3.65Å
168G90.6Very high89.5Confident24 Ų2463 Ų6325%0.24732%0.322CS..PPolyproline II helixtrans-67.9158.2173.100000113K166 S170 E171 A172K166-G168 PolarHBondContact O-N 3.1Å; G168-S170 VanDerWaalsContact C-N 3.34Å; G168-S170 PolarHBondContact O-N 3.4Å; G168-E171 PolarHBondContact N-OE2 2.9Å; G168-E171 PolarHBondContact O-N 3.48Å; G168-A172 WeakPolarHBondContact O-CB 3.39Å; G168-A172 PolarHBondContact O-N 3.37Å
169M90.8Very high89.3Confident133 Ų13369.9 Ų69.966%0.65535%0.35SS*.Hα-helixtrans-64-39.7177.2-174.56572.100112.1A113 T173A113-M169 HydrophobicContact CB-CB 4.39Å; A113-M169 HydrophobicContact CB-CE 3.55Å; A113-M169 HydrophobicContact CB-SD 3.59Å; A113-M169 VanDerWaalsContact CB-SD 3.59Å; M169-T173 WeakPolarHBondContact O-CB 3.41Å; M169-T173 PolarHBondContact O-N 3.27Å; M169-T173 VanDerWaalsContact O-N 3.1Å; M169-T173 PolarHBondContact O-OG1 3.3Å
170S89.2Confident89.3Confident66 Ų6666.3 Ų66.346%0.46233%0.334SS..Hα-helixtrans-64.8-45.1177.942.50000111.9G168 T173 L174G168-S170 VanDerWaalsContact C-N 3.34Å; G168-S170 PolarHBondContact O-N 3.4Å; S170-T173 PolarHBondContact O-N 3.1Å; S170-L174 WeakPolarHBondContact O-CB 3.31Å; S170-L174 PolarHBondContact O-N 2.88Å
171E89.3Confident89.4Confident35 Ų3568.7 Ų68.716%0.16435%0.345CS..Hα-helixtrans-63.3-48.4177.7-67.4156.6-163.200112.1L141 V161 V167 G168 T173 L174 L175L141-E171 HydrophobicContact CD2-CG 3.86Å; V161-E171 HydrophobicContact CG2-CB 4.45Å; V161-E171 HydrophobicContact CG2-CG 4.49Å; V161-E171 VanDerWaalsContact CG2-OE2 3.3Å; V161-E171 WeakPolarHBondContact CG2-OE2 3.44Å; V167-E171 HydrophobicContact CG1-CB 4.15Å; G168-E171 PolarHBondContact N-OE2 2.9Å; G168-E171 PolarHBondContact O-N 3.48Å; E171-T173 VanDerWaalsContact C-N 3.27Å; E171-T173 PolarHBondContact O-N 2.98Å; E171-L174 PolarHBondContact O-N 2.9Å; E171-L175 WeakPolarHBondContact O-CG 3.38Å; E171-L175 PolarHBondContact O-N 2.97Å
172A90.2Very high89.2Confident12 Ų1270.2 Ų70.210%0.09936%0.355CS..Hα-helixtrans-59.9-40.1177.400000111.8A111 A113 V167 G168 G176A111-A172 HydrophobicContact CB-CB 4.39Å; A113-A172 HydrophobicContact CB-CB 4.39Å; V167-A172 HydrophobicContact CG1-CB 3.85Å; G168-A172 WeakPolarHBondContact O-CB 3.39Å; G168-A172 PolarHBondContact O-N 3.37Å; A172-G176 PolarHBondContact O-N 2.72Å
173T90Very high89Confident62 Ų6261.4 Ų61.438%0.3832%0.322SS..Hα-helixtrans-67.5-43.1178-54.30000111.1M169 S170 E171 G176 M177M169-T173 WeakPolarHBondContact O-CB 3.41Å; M169-T173 PolarHBondContact O-N 3.27Å; M169-T173 VanDerWaalsContact O-N 3.1Å; M169-T173 PolarHBondContact O-OG1 3.3Å; S170-T173 PolarHBondContact O-N 3.1Å; E171-T173 VanDerWaalsContact C-N 3.27Å; E171-T173 PolarHBondContact O-N 2.98Å; T173-G176 PolarHBondContact O-N 3.02Å; T173-M177 HydrophobicContact CG2-CE 3.75Å; T173-M177 WeakPolarHBondContact O-CG 3.33Å; T173-M177 PolarHBondContact O-N 3.27Å
174L88.5Confident88.7Confident8 Ų858.6 Ų58.64%0.04232%0.315CS..Hα-helixtrans-60.1-49.6176.5178.567.7000111.4F138 L141 I143 L160 S170 E171 G176 M177 L178F138-L174 HydrophobicContact CD1-CD1 4.14Å; F138-L174 HydrophobicContact CE1-CD1 3.55Å; F138-L174 HydrophobicContact CE1-CD2 4.43Å; F138-L174 HydrophobicContact CE2-CD1 4.36Å; F138-L174 HydrophobicContact CZ-CD1 3.67Å; L141-L174 HydrophobicContact CD1-CB 3.89Å; L141-L174 HydrophobicContact CD1-CD2 3.49Å; L141-L174 VanDerWaalsContact CD1-CD2 3.49Å; L141-L174 HydrophobicContact CD1-CG 4.24Å; I143-L174 HydrophobicContact CD1-CD2 3.31Å; L160-L174 HydrophobicContact CD1-CD2 3.96Å; S170-L174 WeakPolarHBondContact O-CB 3.31Å; S170-L174 PolarHBondContact O-N 2.88Å; E171-L174 PolarHBondContact O-N 2.9Å; L174-G176 PolarHBondContact O-N 3.4Å; L174-M177 PolarHBondContact O-N 2.89Å; L174-L178 HydrophobicContact CD1-CD1 4.2Å; L174-L178 HydrophobicContact CD1-CG 4.27Å; L174-L178 HydrophobicContact CG-CD1 4.07Å; L174-L178 HydrophobicContact CG-CG 4.45Å; L174-L178 WeakPolarHBondContact O-CG 3.44Å; L174-L178 PolarHBondContact O-N 3.27Å
175L90.2Very high88.5Confident1 Ų155.1 Ų55.11%0.00529%0.293CS..Hα-helixtrans-59.2-38.4177.7-69.5163.9000111.4A111 V121 V123 L160 E171 L178 K179 I180 P182A111-L175 HydrophobicContact CB-CD1 3.83Å; V121-L175 HydrophobicContact CG1-CD1 3.88Å; V121-L175 HydrophobicContact CG1-CD2 3.72Å; V121-L175 HydrophobicContact CG1-CG 4.45Å; V123-L175 HydrophobicContact CG2-CD2 3.9Å; L160-L175 HydrophobicContact CD1-CD2 4.3Å; L160-L175 HydrophobicContact CD1-CG 4.41Å; E171-L175 WeakPolarHBondContact O-CG 3.38Å; E171-L175 PolarHBondContact O-N 2.97Å; L175-L178 PolarHBondContact O-N 3.41Å; L175-K179 PolarHBondContact O-N 2.92Å; L175-I180 HydrophobicContact CD2-CB 4.27Å; L175-I180 HydrophobicContact CD2-CG2 4.24Å; L175-I180 PolarHBondContact O-N 2.98Å; L175-I180 VanDerWaalsContact O-O 3.12Å; L175-P182 HydrophobicContact CD1-CG 4.12Å
176G88.5Confident88.3Confident39 Ų3950.9 Ų50.940%0.40228%0.275SS..Hα-helixtrans-62.2-42.7171.800000113.6A172 T173 L174 K179A172-G176 PolarHBondContact O-N 2.72Å; T173-G176 PolarHBondContact O-N 3.02Å; L174-G176 PolarHBondContact O-N 3.4Å; G176-K179 PolarHBondContact O-N 2.97Å
177M87.6Confident88.1Confident64 Ų6443.5 Ų43.532%0.31524%0.243SC..Hα-helixtrans-67.6-38.3177.7-66.8-158.7-161.400112.4L130 K134 T173 L174 K179L130-M177 HydrophobicContact CD1-CB 4.3Å; L130-M177 HydrophobicContact CD1-SD 4.49Å; K134-M177 HydrophobicContact CD-SD 3.97Å; K134-M177 PolarHBondContact NZ-SD 3.45Å; K134-M177 VanDerWaalsContact NZ-SD 3.4Å; T173-M177 HydrophobicContact CG2-CE 3.75Å; T173-M177 WeakPolarHBondContact O-CG 3.33Å; T173-M177 PolarHBondContact O-N 3.27Å; L174-M177 PolarHBondContact O-N 2.89Å; M177-K179 PolarHBondContact O-N 3.37Å
178L88.5Confident88.1Confident29 Ų2947 Ų4715%0.15227%0.265CS..THydrogen-bonded Turntrans-75-4.6177-64.4178.9000113.3V123 T128 F138 I154 L174 L175 I180V123-L178 HydrophobicContact CG1-CD1 3.78Å; T128-L178 HydrophobicContact CG2-CD2 3.46Å; T128-L178 VanDerWaalsContact CG2-CD2 3.46Å; F138-L178 HydrophobicContact CZ-CD2 4.37Å; I154-L178 HydrophobicContact CD1-CD1 4.36Å; L174-L178 HydrophobicContact CD1-CD1 4.2Å; L174-L178 HydrophobicContact CD1-CG 4.27Å; L174-L178 HydrophobicContact CG-CD1 4.07Å; L174-L178 HydrophobicContact CG-CG 4.45Å; L174-L178 WeakPolarHBondContact O-CG 3.44Å; L174-L178 PolarHBondContact O-N 3.27Å; L175-L178 PolarHBondContact O-N 3.41Å; L178-I180 HydrophobicContact CB-CD1 3.89Å; L178-I180 HydrophobicContact CB-CG1 3.9Å; L178-I180 HydrophobicContact CD1-CD1 4.1Å; L178-I180 PolarHBondContact O-N 3.26Å
179K86.8Confident88.1Confident175 Ų17546.6 Ų46.676%0.76126%0.256SS*.THydrogen-bonded Turntrans55.926.6-172.7-54.9177-178.5172.70112.9L175 G176 M177L175-K179 PolarHBondContact O-N 2.92Å; G176-K179 PolarHBondContact O-N 2.97Å; M177-K179 PolarHBondContact O-N 3.37Å
180I89.3Confident88.2Confident48 Ų4843.5 Ų43.525%0.24624%0.239CC..  trans-90.8123.4174.3-59.8173.5000107V123 L175 L178 P182V123-I180 HydrophobicContact CG1-CD1 4.3Å; L175-I180 HydrophobicContact CD2-CB 4.27Å; L175-I180 HydrophobicContact CD2-CG2 4.24Å; L175-I180 PolarHBondContact O-N 2.98Å; L175-I180 VanDerWaalsContact O-O 3.12Å; L178-I180 HydrophobicContact CB-CD1 3.89Å; L178-I180 HydrophobicContact CB-CG1 3.9Å; L178-I180 HydrophobicContact CD1-CD1 4.1Å; L178-I180 PolarHBondContact O-N 3.26Å; I180-P182 VanDerWaalsContact O-CD 3.28Å; I180-P182 WeakPolarHBondContact O-CD 3Å
181H88.8Confident88.3Confident71 Ų7141.5 Ų41.533%0.32922%0.222SC..  trans-114.282.2-178.8-69.3-26.8000109.2E108 A109 F183E108-H181 HydrophobicContact CB-CB 3.71Å; A109-H181 CarbonylContact O-C 3.59Å; A109-H181 WeakPolarHBondContact O-CA 3.47Å; H181-F183 VanDerWaalsContact C-N 3.29Å; H181-F183 PolarHBondContact O-N 2.85Å
182P84.7Confident88.4Confident33 Ų3339.8 Ų39.821%0.21422%0.215CC..  trans-73.7-19.1-165.730.3-37.7000114A111 V121 L175 I180A111-P182 HydrophobicContact CB-CG 4.29Å; V121-P182 HydrophobicContact CB-CB 4.28Å; V121-P182 HydrophobicContact CG1-CB 3.69Å; V121-P182 HydrophobicContact CG1-CG 3.84Å; V121-P182 HydrophobicContact CG2-CB 3.74Å; V121-P182 HydrophobicContact CG2-CG 3.89Å; L175-P182 HydrophobicContact CD1-CG 4.12Å; I180-P182 VanDerWaalsContact O-CD 3.28Å; I180-P182 WeakPolarHBondContact O-CD 3Å
183F86.4Confident88.4Confident2 Ų239.8 Ų39.81%0.00921%0.212CC..EExtended strand (participates in β ladder)trans-91.3127.4-176.6-60.3-24.6000110.6E108 A109 A111 A117 P118 V121 V167 H181 Y185E108-F183 CarbonylContact C-O 3.53Å; E108-F183 WeakPolarHBondContact CA-O 3.45Å; A109-F183 PolarHBondContact N-O 2.83Å; A109-F183 PolarHBondContact O-N 2.8Å; A111-F183 HydrophobicContact CB-CD2 4.3Å; A111-F183 HydrophobicContact CB-CE2 3.8Å; A111-F183 HydrophobicContact CB-CZ 4.18Å; A117-F183 HydrophobicContact CB-CE1 3.87Å; A117-F183 HydrophobicContact CB-CZ 3.86Å; P118-F183 HydrophobicContact CG-CD1 3.94Å; P118-F183 HydrophobicContact CG-CE1 4.37Å; P118-F183 HydrophobicContact CG-CG 4.33Å; V121-F183 HydrophobicContact CG2-CE1 3.89Å; V167-F183 HydrophobicContact CG2-CE2 4.15Å; V167-F183 HydrophobicContact CG2-CZ 3.65Å; H181-F183 VanDerWaalsContact C-N 3.29Å; H181-F183 PolarHBondContact O-N 2.85Å; F183-Y185 HydrophobicContact CB-CE2 3.91Å
184T84.4Confident88.3Confident61 Ų6139.4 Ų39.437%0.37421%0.206SC..EExtended strand (participates in β ladder)trans-98112.7170.257.70000109.4V107V107-T184 WeakPolarHBondContact O-CA 3.29Å
185Y83.5Confident88Confident39 Ų3945.6 Ų45.615%0.15324%0.235CC..EExtended strand (participates in β ladder)trans-97.2132.8169.6-63.9-69.5000109.4N34 Q39 V107 A109 F183N34-Y185 HydrophobicContact CB-CD1 3.7Å; N34-Y185 HydrophobicContact CB-CD2 3.88Å; N34-Y185 HydrophobicContact CB-CE1 3.92Å; N34-Y185 HydrophobicContact CB-CE2 4.14Å; N34-Y185 HydrophobicContact CB-CG 3.7Å; N34-Y185 WeakPolarHBondContact ND2-CE1 3.36Å; Q39-Y185 PolarHBondContact NE2-O 2.91Å; V107-Y185 PolarHBondContact N-O 2.9Å; V107-Y185 PolarHBondContact O-N 3.18Å; A109-Y185 HydrophobicContact CB-CD2 3.23Å; A109-Y185 HydrophobicContact CB-CE2 3.46Å; A109-Y185 VanDerWaalsContact CB-CE2 3.46Å; A109-Y185 HydrophobicContact CB-CG 4.47Å; F183-Y185 HydrophobicContact CB-CE2 3.91Å
186G85.6Confident87.6Confident6 Ų645.7 Ų45.76%0.06224%0.236CC..  trans-148.4175.1177.500000109.7V188G186-V188 PolarHBondContact O-N 3.23Å
187L87.9Confident87.5Confident1 Ų147.2 Ų47.21%0.00524%0.24CC..PPolyproline II helixtrans-66.6120.3168.2-76.2-173.8000109.2V30 V32 V35 M40 I43 L53 I102V30-L187 HydrophobicContact CG1-CB 3.48Å; V30-L187 VanDerWaalsContact CG1-CB 3.48Å; V30-L187 HydrophobicContact CG1-CD1 4.15Å; V30-L187 HydrophobicContact CG1-CD2 3.62Å; V30-L187 HydrophobicContact CG1-CG 3.9Å; V32-L187 HydrophobicContact CB-CD2 4.25Å; V32-L187 HydrophobicContact CG1-CD2 3.99Å; V32-L187 HydrophobicContact CG2-CD2 3.78Å; V35-L187 HydrophobicContact CG2-CD2 4.38Å; M40-L187 HydrophobicContact SD-CD2 4.33Å; I43-L187 HydrophobicContact CD1-CD1 3.8Å; I43-L187 HydrophobicContact CD1-CG 3.77Å; I43-L187 HydrophobicContact CG1-CD1 4.48Å; I43-L187 HydrophobicContact CG2-CD1 3.72Å; L53-L187 HydrophobicContact CD1-CD1 4.48Å; I102-L187 HydrophobicContact CG2-CB 3.52Å; I102-L187 HydrophobicContact CG2-CD1 4.17Å; I102-L187 HydrophobicContact CG2-CG 4.5Å
188V89.1Confident87.6Confident79 Ų7946 Ų4648%0.47924%0.236SC..EExtended strand (participates in β ladder)trans-99118.1176.8-178.40000108.5V30 N31 G186 K190V30-V188 CarbonylContact C-O 3.5Å; V30-V188 WeakPolarHBondContact CA-O 3.4Å; V30-V188 WeakPolarHBondContact CG1-O 3.31Å; N31-V188 PolarHBondContact N-O 3.43Å; N31-V188 PolarHBondContact O-N 3.46Å; G186-V188 PolarHBondContact O-N 3.23Å; V188-K190 PolarHBondContact O-N 2.92Å
189I91.4Very high87.8Confident15 Ų1546.5 Ų46.58%0.07724%0.236CC..EExtended strand (participates in β ladder)trans-74.2118.8175.5-57.3169.3000107.6F28 V30 R99 I102 V192 P201F28-I189 HydrophobicContact CB-CG2 4.44Å; F28-I189 HydrophobicContact CD1-CD1 4.26Å; F28-I189 HydrophobicContact CD1-CG2 3.64Å; F28-I189 HydrophobicContact CE1-CD1 4.4Å; F28-I189 HydrophobicContact CE1-CG2 4.35Å; F28-I189 HydrophobicContact CG-CG2 4.45Å; V30-I189 HydrophobicContact CG2-CG1 4.41Å; R99-I189 HydrophobicContact CB-CD1 3.9Å; R99-I189 HydrophobicContact CG-CD1 3.66Å; I102-I189 HydrophobicContact CD1-CD1 4.36Å; I102-I189 HydrophobicContact CG2-CD1 4.39Å; I102-I189 HydrophobicContact CG2-CG1 4.27Å; I189-V192 HydrophobicContact CG2-CG2 4.36Å; I189-P201 HydrophobicContact CB-CB 4.46Å; I189-P201 HydrophobicContact CG2-CB 4.02Å; I189-P201 HydrophobicContact CG2-CG 4.39Å
190K91.2Very high87.9Confident68 Ų6842.5 Ų42.530%0.29622%0.223SC..EExtended strand (participates in β ladder)trans-91.9-43.8-179.8-169.4172.9-172.3165.20111.3I29 E84 V188I29-K190 HydrophobicContact CG2-CB 4.32Å; I29-K190 PolarHBondContact O-N 3.01Å; E84-K190 IonicContact OE2-NZ 3.85Å; E84-K190 PolarHBondContact OE2-NZ 2.88Å; V188-K190 PolarHBondContact O-N 2.92Å
191Q91.4Very high87.8Confident23 Ų2341.4 Ų41.411%0.10722%0.219CC..EExtended strand (participates in β ladder)trans-149.8155-179.6-66.3-63.6-41.600109.6I29 H81 V198 Y199 D200I29-Q191 HydrophobicContact CB-CB 4.14Å; I29-Q191 HydrophobicContact CD1-CB 3.85Å; I29-Q191 HydrophobicContact CG1-CB 4.45Å; I29-Q191 PolarHBondContact N-O 2.82Å; I29-Q191 PolarHBondContact O-N 3.27Å; H81-Q191 HydrophobicContact CB-CG 4.43Å; Q191-V198 HydrophobicContact CB-CG1 3.85Å; Q191-V198 HydrophobicContact CG-CG1 4Å; Q191-Y199 PolarHBondContact OE1-O 2.8Å; Q191-D200 PolarHBondContact NE2-OD1 2.76Å; Q191-D200 PolarHBondContact OE1-OD1 2.91Å
192V92.2Very high87.7Confident0 Ų041 Ų410%023%0.228CC..EExtended strand (participates in β ladder)trans-112137.2171.8-167.80000107.6F28 L95 I189 V198 Y199 P201 L204F28-V192 HydrophobicContact CD1-CB 4.24Å; F28-V192 HydrophobicContact CD1-CG1 3.97Å; F28-V192 HydrophobicContact CD1-CG2 3.77Å; F28-V192 HydrophobicContact CE1-CB 4.24Å; F28-V192 HydrophobicContact CE1-CG1 3.71Å; F28-V192 HydrophobicContact CE1-CG2 3.65Å; F28-V192 HydrophobicContact CZ-CG1 4.44Å; L95-V192 HydrophobicContact CD1-CG1 4Å; L95-V192 HydrophobicContact CD2-CG1 4.2Å; I189-V192 HydrophobicContact CG2-CG2 4.36Å; V192-V198 VanDerWaalsContact O-CA 3.32Å; V192-V198 WeakPolarHBondContact O-CA 3.48Å; V192-Y199 HydrophobicContact CB-CD2 3.82Å; V192-Y199 HydrophobicContact CB-CE2 3.48Å; V192-Y199 VanDerWaalsContact CB-CE2 3.48Å; V192-Y199 HydrophobicContact CG1-CD2 4.49Å; V192-Y199 HydrophobicContact CG1-CE2 3.68Å; V192-Y199 HydrophobicContact CG2-CD2 4.17Å; V192-Y199 HydrophobicContact CG2-CE2 3.91Å; V192-Y199 PolarHBondContact N-O 2.88Å; V192-Y199 PolarHBondContact O-N 2.95Å; V192-P201 HydrophobicContact CG2-CB 4.37Å; V192-L204 HydrophobicContact CG1-CD1 4.49Å; V192-L204 HydrophobicContact CG2-CD1 3.82Å; V192-L204 HydrophobicContact CG2-CG 4.47Å
193F90.1Very high87.8Confident12 Ų1243 Ų435%0.05324%0.24CC..EExtended strand (participates in β ladder)trans-117.7128.5172.7174.9-90.6000109.4K26 C27 L75 L78 C197 V198K26-F193 WeakPolarHBondContact CA-O 3.4Å; C27-F193 PolarHBondContact N-O 3Å; C27-F193 PolarHBondContact O-N 3.4Å; C27-F193 VanDerWaalsContact SG-CB 3.59Å; L75-F193 HydrophobicContact CD2-CE1 4.1Å; L75-F193 HydrophobicContact CD2-CZ 3.8Å; L78-F193 HydrophobicContact CD1-CD2 4.26Å; L78-F193 HydrophobicContact CD1-CE2 4.33Å; L78-F193 HydrophobicContact CD1-CG 4.41Å; L78-F193 HydrophobicContact CD2-CB 3.75Å; L78-F193 HydrophobicContact CD2-CD2 3.59Å; L78-F193 HydrophobicContact CD2-CE2 4.35Å; L78-F193 HydrophobicContact CD2-CG 3.78Å; L78-F193 HydrophobicContact CG-CD2 3.89Å; L78-F193 HydrophobicContact CG-CE2 4.15Å; L78-F193 HydrophobicContact CG-CG 4.37Å; F193-C197 WeakPolarHBondContact CA-O 3.32Å; F193-V198 HydrophobicContact CD2-CG2 3.76Å
194E88.6Confident87.6Confident53 Ų5344.7 Ų44.725%0.24825%0.248CC..EExtended strand (participates in β ladder)trans-140.9118176.9-179.6169-146.500108.3K26 G196 C197 Y199K26-E194 HydrophobicContact CD-CG 4.28Å; K26-E194 VanDerWaalsContact CE-OE1 3.28Å; K26-E194 WeakPolarHBondContact CE-OE1 3.34Å; K26-E194 HydrophobicContact CG-CG 4.32Å; K26-E194 IonicContact NZ-OE1 2.72Å; K26-E194 PolarHBondContact NZ-OE1 2.88Å; E194-G196 PolarHBondContact O-N 2.81Å; E194-C197 PolarHBondContact N-O 3.36Å; E194-C197 PolarHBondContact O-N 2.82Å; E194-Y199 HydrophobicContact CB-CE1 3.92Å; E194-Y199 PolarHBondContact OE2-OH 3.45Å
195Q81.7Confident87.6Confident138 Ų13845.9 Ų45.965%0.64525%0.252SS*.THydrogen-bonded Turntrans45.640.4170.8-61.6-177.1-13.700114.2D25D25-Q195 HydrophobicContact CB-CG 4.36Å; D25-Q195 PolarHBondContact O-N 3.4Å
196G82.1Confident87.7Confident3 Ų348.3 Ų48.33%0.03127%0.267CS..THydrogen-bonded Turntrans87.23.7177.900000116.7K77 E194K77-G196 VanDerWaalsContact CD-O 3.27Å; K77-G196 WeakPolarHBondContact CD-O 3.46Å; K77-G196 WeakPolarHBondContact CE-O 3.17Å; K77-G196 PolarHBondContact NZ-O 3.06Å; E194-G196 PolarHBondContact O-N 2.81Å
197C87.1Confident87.7Confident72 Ų7250.9 Ų50.949%0.48628%0.282SS..EExtended strand (participates in β ladder)trans-101.7134.1166.7-71.70000109.6F193 E194 Y199F193-C197 WeakPolarHBondContact CA-O 3.32Å; E194-C197 PolarHBondContact N-O 3.36Å; E194-C197 PolarHBondContact O-N 2.82Å; C197-Y199 HydrophobicContact CB-CD1 4.45Å
198V89.6Confident87.6Confident37 Ų3755.8 Ų55.822%0.22431%0.314CS..EExtended strand (participates in β ladder)trans-109.9126.2170.9-1800000107K77 L78 Q191 V192 F193K77-V198 HydrophobicContact CB-CG2 3.78Å; L78-V198 HydrophobicContact CD2-CG2 4.28Å; Q191-V198 HydrophobicContact CB-CG1 3.85Å; Q191-V198 HydrophobicContact CG-CG1 4Å; V192-V198 VanDerWaalsContact O-CA 3.32Å; V192-V198 WeakPolarHBondContact O-CA 3.48Å; F193-V198 HydrophobicContact CD2-CG2 3.76Å
199Y91.2Very high87.7Confident41 Ų4158.6 Ų58.616%0.16132%0.321CS..EExtended strand (participates in β ladder)trans-140.6156.5178.653.6-97.9000112.1L95 Q191 V192 E194 C197 V203 L204L95-Y199 WeakPolarHBondContact CD1-OH 3.48Å; Q191-Y199 PolarHBondContact OE1-O 2.8Å; V192-Y199 HydrophobicContact CB-CD2 3.82Å; V192-Y199 HydrophobicContact CB-CE2 3.48Å; V192-Y199 VanDerWaalsContact CB-CE2 3.48Å; V192-Y199 HydrophobicContact CG1-CD2 4.49Å; V192-Y199 HydrophobicContact CG1-CE2 3.68Å; V192-Y199 HydrophobicContact CG2-CD2 4.17Å; V192-Y199 HydrophobicContact CG2-CE2 3.91Å; V192-Y199 PolarHBondContact N-O 2.88Å; V192-Y199 PolarHBondContact O-N 2.95Å; E194-Y199 HydrophobicContact CB-CE1 3.92Å; E194-Y199 PolarHBondContact OE2-OH 3.45Å; C197-Y199 HydrophobicContact CB-CD1 4.45Å; Y199-V203 HydrophobicContact CD2-CB 3.99Å; Y199-V203 HydrophobicContact CD2-CG1 4.42Å; Y199-V203 HydrophobicContact CD2-CG2 4.48Å; Y199-L204 HydrophobicContact CE2-CD2 3.87Å; Y199-L204 HydrophobicContact CE2-CG 3.99Å
200D90.5Very high87.6Confident91 Ų9162 Ų6249%0.48734%0.338SS..  trans-67.2146.8176.5-74.4-40.2000111Q191 A202 V203Q191-D200 PolarHBondContact NE2-OD1 2.76Å; Q191-D200 PolarHBondContact OE1-OD1 2.91Å; D200-A202 PolarHBondContact O-N 2.76Å; D200-V203 PolarHBondContact O-N 3.26Å
201P86.9Confident87.7Confident25 Ų2563.8 Ų63.816%0.16235%0.35CS..G310 helixtrans-61.3-16178.427.3-36.4000113.5R99 I189 V192 V203 L204R99-P201 PolarHBondContact NH1-O 2.89Å; I189-P201 HydrophobicContact CB-CB 4.46Å; I189-P201 HydrophobicContact CG2-CB 4.02Å; I189-P201 HydrophobicContact CG2-CG 4.39Å; V192-P201 HydrophobicContact CG2-CB 4.37Å; P201-V203 PolarHBondContact O-N 3.25Å; P201-L204 WeakPolarHBondContact O-CB 3.27Å; P201-L204 PolarHBondContact O-N 3.29Å
202A86.7Confident87.7Confident63 Ų6366 Ų6652%0.52137%0.368SS..G310 helixtrans-65.9-26.5175.300000112.8D200 L204 D205D200-A202 PolarHBondContact O-N 2.76Å; A202-L204 PolarHBondContact O-N 3.49Å; A202-D205 WeakPolarHBondContact O-CB 3.37Å; A202-D205 PolarHBondContact O-N 2.82Å; A202-D205 VanDerWaalsContact O-N 3.11Å
203V86.1Confident87.8Confident75 Ų7572.2 Ų72.246%0.45540%0.397SS..G310 helixtrans-65.3-31.8176.4-179.30000110.9Y199 D200 P201 D205 I206Y199-V203 HydrophobicContact CD2-CB 3.99Å; Y199-V203 HydrophobicContact CD2-CG1 4.42Å; Y199-V203 HydrophobicContact CD2-CG2 4.48Å; D200-V203 PolarHBondContact O-N 3.26Å; P201-V203 PolarHBondContact O-N 3.25Å; V203-D205 PolarHBondContact O-N 3.4Å; V203-I206 HydrophobicContact CG1-CD1 4.29Å; V203-I206 WeakPolarHBondContact O-CB 3.44Å; V203-I206 WeakPolarHBondContact O-CG1 3.11Å; V203-I206 PolarHBondContact O-N 2.89Å
204L83Confident87.9Confident36 Ų3678.9 Ų78.919%0.18843%0.426CS..G310 helixtrans-69.3-17.2175.8-64176.1000113.4F28 L95 V192 Y199 P201 A202 I206F28-L204 HydrophobicContact CE1-CD1 3.95Å; F28-L204 HydrophobicContact CZ-CD1 4.39Å; L95-L204 HydrophobicContact CB-CD1 4.13Å; L95-L204 HydrophobicContact CB-CD2 4.03Å; L95-L204 HydrophobicContact CD1-CD2 4.06Å; V192-L204 HydrophobicContact CG1-CD1 4.49Å; V192-L204 HydrophobicContact CG2-CD1 3.82Å; V192-L204 HydrophobicContact CG2-CG 4.47Å; Y199-L204 HydrophobicContact CE2-CD2 3.87Å; Y199-L204 HydrophobicContact CE2-CG 3.99Å; P201-L204 WeakPolarHBondContact O-CB 3.27Å; P201-L204 PolarHBondContact O-N 3.29Å; A202-L204 PolarHBondContact O-N 3.49Å; L204-I206 VanDerWaalsContact C-N 3.27Å
205D84Confident88.2Confident86 Ų8683 Ų8346%0.4644%0.443SS..G310 helixtrans-82.7-7.3175.9-61.5-44.2000112.2R99 A202 V203 T207 M210R99-D205 IonicContact CZ-OD1 3.41Å; R99-D205 IonicContact CZ-OD2 2.73Å; R99-D205 IonicContact NH1-OD1 3.15Å; R99-D205 PolarHBondContact NH1-OD1 2.94Å; R99-D205 IonicContact NH1-OD2 3.2Å; R99-D205 PolarHBondContact NH1-OD2 2.84Å; R99-D205 VanDerWaalsContact NH1-OD2 3.15Å; R99-D205 IonicContact NH2-OD1 2.75Å; R99-D205 PolarHBondContact NH2-OD1 2.8Å; R99-D205 IonicContact NH2-OD2 3.2Å; R99-D205 PolarHBondContact NH2-OD2 3.22Å; A202-D205 WeakPolarHBondContact O-CB 3.37Å; A202-D205 PolarHBondContact O-N 2.82Å; A202-D205 VanDerWaalsContact O-N 3.11Å; V203-D205 PolarHBondContact O-N 3.4Å; D205-T207 PolarHBondContact O-N 2.8Å; D205-T207 VanDerWaalsContact O-N 3.1Å; D205-M210 WeakPolarHBondContact O-CE 3.3Å
206I84.9Confident88.7Confident91 Ų9178.7 Ų78.747%0.46743%0.431SS..  trans-75.4103.1179.5-55.7174000109V203 L204 I211V203-I206 HydrophobicContact CG1-CD1 4.29Å; V203-I206 WeakPolarHBondContact O-CB 3.44Å; V203-I206 WeakPolarHBondContact O-CG1 3.11Å; V203-I206 PolarHBondContact O-N 2.89Å; L204-I206 VanDerWaalsContact C-N 3.27Å; I206-I211 HydrophobicContact CG2-CD1 3.85Å; I206-I211 HydrophobicContact CG2-CG1 3.69Å
207T85.9Confident89.2Confident59 Ų5980.4 Ų80.436%0.36245%0.445SS..  trans-76.2150.8173.162.80000111.2D205 E209 M210 I211D205-T207 PolarHBondContact O-N 2.8Å; D205-T207 VanDerWaalsContact O-N 3.1Å; T207-E209 PolarHBondContact O-N 3.4Å; T207-M210 HydrophobicContact CG2-CE 4.37Å; T207-M210 PolarHBondContact O-N 3.33Å; T207-M210 PolarHBondContact OG1-N 2.9Å; T207-I211 PolarHBondContact O-N 2.83Å
208P87Confident89.6Confident105 Ų10581.3 Ų81.368%0.68244%0.444SS*.Hα-helixtrans-61.3-27.2174.325.3-34.3000112.3I211 S212P208-I211 WeakPolarHBondContact O-CB 3.41Å; P208-I211 PolarHBondContact O-N 3.22Å; P208-S212 PolarHBondContact O-N 3.19Å
209E91.1Very high89.7Confident137 Ų13782.2 Ų82.264%0.6445%0.45SS*.Hα-helixtrans-63.6-48.9175.4-65175.8178.100111.4T207 I211 S212 E213T207-E209 PolarHBondContact O-N 3.4Å; E209-I211 PolarHBondContact O-N 3.43Å; E209-S212 PolarHBondContact O-N 3Å; E209-S212 PolarHBondContact O-OG 3.3Å; E209-E213 PolarHBondContact O-N 3Å
210M89.3Confident89.6Confident88 Ų8886.4 Ų86.443%0.43347%0.471SS..Hα-helixtrans-59.2-36.3174.8-80.2-167.8-70.900112.1D205 T207 K214D205-M210 WeakPolarHBondContact O-CE 3.3Å; T207-M210 HydrophobicContact CG2-CE 4.37Å; T207-M210 PolarHBondContact O-N 3.33Å; T207-M210 PolarHBondContact OG1-N 2.9Å; M210-K214 WeakPolarHBondContact O-CB 3.39Å; M210-K214 VanDerWaalsContact O-CG 3.23Å; M210-K214 WeakPolarHBondContact O-CG 3.46Å; M210-K214 PolarHBondContact O-N 3.43Å
211I91.5Very high89.6Confident104 Ų10486.9 Ų86.953%0.53347%0.473SS..Hα-helixtrans-64.6-44.5175.2-61.1173.2000110I206 T207 P208 E209 K214 F215I206-I211 HydrophobicContact CG2-CD1 3.85Å; I206-I211 HydrophobicContact CG2-CG1 3.69Å; T207-I211 PolarHBondContact O-N 2.83Å; P208-I211 WeakPolarHBondContact O-CB 3.41Å; P208-I211 PolarHBondContact O-N 3.22Å; E209-I211 PolarHBondContact O-N 3.43Å; I211-K214 PolarHBondContact O-N 2.86Å; I211-F215 WeakPolarHBondContact O-CB 3.25Å; I211-F215 PolarHBondContact O-N 3.24Å
212S92.3Very high89.7Confident69 Ų6989.7 Ų89.748%0.48349%0.486SS..Hα-helixtrans-65-39.4179.474.20000113P208 E209 F215 A216P208-S212 PolarHBondContact O-N 3.19Å; E209-S212 PolarHBondContact O-N 3Å; E209-S212 PolarHBondContact O-OG 3.3Å; S212-F215 PolarHBondContact O-N 3.41Å; S212-A216 WeakPolarHBondContact O-CB 3.42Å; S212-A216 PolarHBondContact O-N 2.76Å
213E94.2Very high89.8Confident132 Ų13287 Ų8762%0.61746%0.463SS*.Hα-helixtrans-66.1-46.4176.3-71.9-178.5174.200111.6E209 F215 A216 A217E209-E213 PolarHBondContact O-N 3Å; E213-F215 VanDerWaalsContact C-N 3.31Å; E213-F215 PolarHBondContact O-N 3.35Å; E213-A216 PolarHBondContact O-N 3.2Å; E213-A217 WeakPolarHBondContact O-CB 3.29Å; E213-A217 PolarHBondContact O-N 2.94Å
214K92.8Very high89.8Confident152 Ų15287.2 Ų87.266%0.66147%0.468SS*.Hα-helixtrans-63.7-40175.8-67.3-63.8180-170.40111.2M210 I211 A217 I218M210-K214 WeakPolarHBondContact O-CB 3.39Å; M210-K214 VanDerWaalsContact O-CG 3.23Å; M210-K214 WeakPolarHBondContact O-CG 3.46Å; M210-K214 PolarHBondContact O-N 3.43Å; I211-K214 PolarHBondContact O-N 2.86Å; K214-A217 PolarHBondContact O-N 2.95Å; K214-I218 WeakPolarHBondContact O-CB 3.44Å; K214-I218 WeakPolarHBondContact O-CD1 3.43Å; K214-I218 WeakPolarHBondContact O-CG1 3.37Å; K214-I218 PolarHBondContact O-N 3.15Å
215F94.6Very high90.1Very high139 Ų13990.9 Ų90.961%0.6149%0.487SS*.Hα-helixtrans-63.4-46175.9-173.6-98.6000111.6I211 S212 E213 A217 I218 V219I211-F215 WeakPolarHBondContact O-CB 3.25Å; I211-F215 PolarHBondContact O-N 3.24Å; S212-F215 PolarHBondContact O-N 3.41Å; E213-F215 VanDerWaalsContact C-N 3.31Å; E213-F215 PolarHBondContact O-N 3.35Å; F215-A217 PolarHBondContact O-N 3.49Å; F215-I218 PolarHBondContact O-N 2.84Å; F215-V219 HydrophobicContact CD1-CG2 4.06Å; F215-V219 HydrophobicContact CE1-CG2 3.72Å; F215-V219 HydrophobicContact CZ-CG2 3.98Å; F215-V219 WeakPolarHBondContact O-CG2 3.42Å; F215-V219 PolarHBondContact O-N 2.88Å
216A92.2Very high90.4Very high47 Ų4787.2 Ų87.239%0.38847%0.468SS..Hα-helixtrans-60.7-43.9176.700000112S212 E213 I218 V219 Q220S212-A216 WeakPolarHBondContact O-CB 3.42Å; S212-A216 PolarHBondContact O-N 2.76Å; E213-A216 PolarHBondContact O-N 3.2Å; A216-I218 VanDerWaalsContact C-N 3.34Å; A216-I218 PolarHBondContact O-N 3.27Å; A216-V219 PolarHBondContact O-N 3.45Å; A216-Q220 WeakPolarHBondContact O-CG 3.31Å; A216-Q220 PolarHBondContact O-N 3.42Å
217A93.2Very high90.4Very high40 Ų4085.2 Ų85.233%0.33146%0.458SS..Hα-helixtrans-62.1-40.1175.600000112.2E213 K214 F215 Q220 N221E213-A217 WeakPolarHBondContact O-CB 3.29Å; E213-A217 PolarHBondContact O-N 2.94Å; K214-A217 PolarHBondContact O-N 2.95Å; F215-A217 PolarHBondContact O-N 3.49Å; A217-Q220 PolarHBondContact O-N 3.06Å; A217-N221 WeakPolarHBondContact O-CB 3.19Å; A217-N221 PolarHBondContact O-N 3.24Å; A217-N221 PolarHBondContact O-ND2 3.31Å
218I93.9Very high90.5Very high91 Ų9186.2 Ų86.247%0.46747%0.472SS..Hα-helixtrans-65.5-44.9175.9-69.6164.3000110.7K214 F215 A216 Q220 N221 I222K214-I218 WeakPolarHBondContact O-CB 3.44Å; K214-I218 WeakPolarHBondContact O-CD1 3.43Å; K214-I218 WeakPolarHBondContact O-CG1 3.37Å; K214-I218 PolarHBondContact O-N 3.15Å; F215-I218 PolarHBondContact O-N 2.84Å; A216-I218 VanDerWaalsContact C-N 3.34Å; A216-I218 PolarHBondContact O-N 3.27Å; I218-Q220 VanDerWaalsContact C-N 3.33Å; I218-Q220 PolarHBondContact O-N 2.92Å; I218-N221 PolarHBondContact O-N 3.09Å; I218-I222 HydrophobicContact CG2-CD1 3.68Å; I218-I222 HydrophobicContact CG2-CG1 4.32Å; I218-I222 VanDerWaalsContact O-CG1 3.28Å; I218-I222 WeakPolarHBondContact O-CG1 3.35Å; I218-I222 PolarHBondContact O-N 3.18Å
219V91.8Very high90.6Very high55 Ų5587.7 Ų87.733%0.33347%0.474SS..Hα-helixtrans-61.1-41.9177.8171.90000111.2F215 A216 I222 A223 A235F215-V219 HydrophobicContact CD1-CG2 4.06Å; F215-V219 HydrophobicContact CE1-CG2 3.72Å; F215-V219 HydrophobicContact CZ-CG2 3.98Å; F215-V219 WeakPolarHBondContact O-CG2 3.42Å; F215-V219 PolarHBondContact O-N 2.88Å; A216-V219 PolarHBondContact O-N 3.45Å; V219-I222 PolarHBondContact O-N 3.23Å; V219-A223 WeakPolarHBondContact O-CB 3.32Å; V219-A223 PolarHBondContact O-N 2.69Å; V219-A235 HydrophobicContact CG1-CB 4.24Å
220Q89.5Confident90.1Very high129 Ų12988.3 Ų88.360%0.60348%0.481SS*.Hα-helixtrans-61.6-46.1174.4-73.8174.4-4.900111.9A216 A217 I218 I222 A223 C224A216-Q220 WeakPolarHBondContact O-CG 3.31Å; A216-Q220 PolarHBondContact O-N 3.42Å; A217-Q220 PolarHBondContact O-N 3.06Å; I218-Q220 VanDerWaalsContact C-N 3.33Å; I218-Q220 PolarHBondContact O-N 2.92Å; Q220-I222 VanDerWaalsContact C-N 3.34Å; Q220-I222 PolarHBondContact O-N 2.84Å; Q220-A223 WeakPolarHBondContact O-CB 3.36Å; Q220-A223 PolarHBondContact O-N 3.23Å; Q220-C224 PolarHBondContact O-N 3.38Å; Q220-C224 PolarHBondContact O-SG 3.08Å
221N90.3Very high89.9Confident102 Ų10292 Ų9255%0.54549%0.491SS..Hα-helixtrans-62.4-41.3177.8-71.6-19.6000112A217 I218 C224 L225A217-N221 WeakPolarHBondContact O-CB 3.19Å; A217-N221 PolarHBondContact O-N 3.24Å; A217-N221 PolarHBondContact O-ND2 3.31Å; I218-N221 PolarHBondContact O-N 3.09Å; N221-C224 PolarHBondContact O-N 3.05Å; N221-L225 WeakPolarHBondContact O-CB 3.5Å; N221-L225 WeakPolarHBondContact O-CG 3.32Å; N221-L225 PolarHBondContact O-N 3.03Å
222I89.9Confident89.5Confident83 Ų8391.5 Ų91.543%0.42649%0.494SS..Hα-helixtrans-64.1-43175.2-67.8168000110.5I218 V219 Q220 C224 L225 S226I218-I222 HydrophobicContact CG2-CD1 3.68Å; I218-I222 HydrophobicContact CG2-CG1 4.32Å; I218-I222 VanDerWaalsContact O-CG1 3.28Å; I218-I222 WeakPolarHBondContact O-CG1 3.35Å; I218-I222 PolarHBondContact O-N 3.18Å; V219-I222 PolarHBondContact O-N 3.23Å; Q220-I222 VanDerWaalsContact C-N 3.34Å; Q220-I222 PolarHBondContact O-N 2.84Å; I222-C224 PolarHBondContact O-N 3.02Å; I222-L225 PolarHBondContact O-N 3.13Å; I222-S226 VanDerWaalsContact O-CB 3.3Å; I222-S226 WeakPolarHBondContact O-CB 3.37Å; I222-S226 PolarHBondContact O-N 3.05Å; I222-S226 PolarHBondContact O-OG 3.49Å
223A88.2Confident89.2Confident6 Ų689.9 Ų89.95%0.0548%0.481CS..Hα-helixtrans-59.4-48.1176.100000111V219 Q220 L225 S226 L227 A235V219-A223 WeakPolarHBondContact O-CB 3.32Å; V219-A223 PolarHBondContact O-N 2.69Å; Q220-A223 WeakPolarHBondContact O-CB 3.36Å; Q220-A223 PolarHBondContact O-N 3.23Å; A223-L225 PolarHBondContact O-N 2.84Å; A223-S226 PolarHBondContact O-N 2.97Å; A223-S226 PolarHBondContact O-OG 2.92Å; A223-L227 WeakPolarHBondContact O-CG 3.24Å; A223-L227 PolarHBondContact O-N 3.42Å; A223-A235 HydrophobicContact CB-CB 4.21Å
224C87.4Confident88.8Confident80 Ų8091.4 Ų91.454%0.54149%0.492SS..Hα-helixtrans-59.5-45.2176.1-69.10000112.9Q220 N221 I222 S226 L227 A228Q220-C224 PolarHBondContact O-N 3.38Å; Q220-C224 PolarHBondContact O-SG 3.08Å; N221-C224 PolarHBondContact O-N 3.05Å; I222-C224 PolarHBondContact O-N 3.02Å; C224-S226 VanDerWaalsContact C-N 3.34Å; C224-S226 PolarHBondContact O-N 3.27Å; C224-L227 PolarHBondContact O-N 2.94Å; C224-A228 PolarHBondContact O-N 2.69Å; C224-A228 VanDerWaalsContact O-N 3.08Å
225L89.3Confident88.3Confident114 Ų11485.7 Ų85.760%0.59747%0.474SS*.Hα-helixtrans-62.3-42.8176.5-75.4171.9000111.8N221 I222 A223 L227 A228 L229N221-L225 WeakPolarHBondContact O-CB 3.5Å; N221-L225 WeakPolarHBondContact O-CG 3.32Å; N221-L225 PolarHBondContact O-N 3.03Å; I222-L225 PolarHBondContact O-N 3.13Å; A223-L225 PolarHBondContact O-N 2.84Å; L225-L227 VanDerWaalsContact C-N 3.32Å; L225-L227 PolarHBondContact O-N 3.02Å; L225-A228 PolarHBondContact O-N 3.45Å; L225-L229 WeakPolarHBondContact O-CG 3.47Å; L225-L229 PolarHBondContact O-N 2.78Å
226S89.2Confident87.8Confident8 Ų879.1 Ų79.16%0.05645%0.445CS..Hα-helixtrans-67.8-32.3-18075.20000112.5I222 A223 C224 D230 Y231 T233 S236I222-S226 VanDerWaalsContact O-CB 3.3Å; I222-S226 WeakPolarHBondContact O-CB 3.37Å; I222-S226 PolarHBondContact O-N 3.05Å; I222-S226 PolarHBondContact O-OG 3.49Å; A223-S226 PolarHBondContact O-N 2.97Å; A223-S226 PolarHBondContact O-OG 2.92Å; C224-S226 VanDerWaalsContact C-N 3.34Å; C224-S226 PolarHBondContact O-N 3.27Å; S226-D230 PolarHBondContact O-N 3.15Å; S226-Y231 CarbonylContact C-O 3.59Å; S226-Y231 VanDerWaalsContact CB-O 3.25Å; S226-Y231 WeakPolarHBondContact CB-O 3.34Å; S226-Y231 PolarHBondContact O-N 3.22Å; S226-Y231 VanDerWaalsContact O-O 3.08Å; S226-T233 PolarHBondContact OG-OG1 3.2Å; S226-S236 WeakPolarHBondContact OG-CB 3.34Å; S226-S236 PolarHBondContact OG-OG 3.04Å; S226-S236 VanDerWaalsContact OG-OG 3.1Å
227L85.6Confident87.6Confident49 Ų4980.9 Ų80.926%0.25745%0.447SS..Hα-helixtrans-68.4-36.9171.5-71.2171.8000112.5A223 C224 L225 H239 V240A223-L227 WeakPolarHBondContact O-CG 3.24Å; A223-L227 PolarHBondContact O-N 3.42Å; C224-L227 PolarHBondContact O-N 2.94Å; L225-L227 VanDerWaalsContact C-N 3.32Å; L225-L227 PolarHBondContact O-N 3.02Å; L227-H239 HydrophobicContact CD1-CB 3.7Å; L227-H239 HydrophobicContact CD2-CB 3.93Å; L227-H239 HydrophobicContact CG-CB 4.36Å; L227-V240 HydrophobicContact CD2-CG2 3.45Å; L227-V240 VanDerWaalsContact CD2-CG2 3.45Å
228A86.8Confident87.2Confident81 Ų8182.8 Ų82.867%0.66946%0.456SS*.Hα-helixtrans-74.8-28.8178.700000113.3C224 L225C224-A228 PolarHBondContact O-N 2.69Å; C224-A228 VanDerWaalsContact O-N 3.08Å; L225-A228 PolarHBondContact O-N 3.45Å
229L88.7Confident86.9Confident135 Ų13583.1 Ų83.171%0.70746%0.455SS*.THydrogen-bonded Turntrans-90.73.2178-66.7175.5000113.4L225 Y231L225-L229 WeakPolarHBondContact O-CG 3.47Å; L225-L229 PolarHBondContact O-N 2.78Å; L229-Y231 PolarHBondContact O-N 3.27Å
230D81.5Confident86.7Confident150 Ų15083.4 Ų83.480%0.80246%0.457SS*.THydrogen-bonded Turntrans51.926.6-171.9-62.6-46000113.6S226S226-D230 PolarHBondContact O-N 3.15Å
231Y84.5Confident86.6Confident165 Ų16583 Ų8365%0.64746%0.458SS*.  trans-97.6114.8178.2-167.2-100.7000109.5S226 L229 T233S226-Y231 CarbonylContact C-O 3.59Å; S226-Y231 VanDerWaalsContact CB-O 3.25Å; S226-Y231 WeakPolarHBondContact CB-O 3.34Å; S226-Y231 PolarHBondContact O-N 3.22Å; S226-Y231 VanDerWaalsContact O-O 3.08Å; L229-Y231 PolarHBondContact O-N 3.27Å; Y231-T233 HydrophobicContact CD1-CG2 3.76Å; Y231-T233 HydrophobicContact CE1-CG2 4.05Å; Y231-T233 PolarHBondContact O-N 2.84Å
232T84.5Confident86.5Confident94 Ų9480.3 Ų80.358%0.57745%0.45SS*.  trans-78.6117.6-177.142.30000110.9V240T232-V240 HydrophobicContact CG2-CG2 4.32Å
233T85.9Confident86.4Confident36 Ų3679.8 Ų79.822%0.22145%0.449CS..  trans-117.3161.5173.665.40000109.6S226 Y231 A235 S236 I237S226-T233 PolarHBondContact OG-OG1 3.2Å; Y231-T233 HydrophobicContact CD1-CG2 3.76Å; Y231-T233 HydrophobicContact CE1-CG2 4.05Å; Y231-T233 PolarHBondContact O-N 2.84Å; T233-A235 PolarHBondContact O-N 3.04Å; T233-S236 PolarHBondContact N-OG 3.12Å; T233-S236 PolarHBondContact O-N 2.99Å; T233-S236 PolarHBondContact O-OG 3.33Å; T233-S236 PolarHBondContact OG1-N 3.34Å; T233-S236 PolarHBondContact OG1-OG 3.22Å; T233-I237 WeakPolarHBondContact O-CG1 3.44Å; T233-I237 PolarHBondContact O-N 2.71Å; T233-I237 VanDerWaalsContact O-N 3.13Å
234L85.4Confident86.3Confident163 Ų16381 Ų8185%0.85346%0.462SS*.THydrogen-bonded Turntrans-54.8-31179.7-172.3141.1000112.9
235A81.5Confident86.4Confident33 Ų3380.7 Ų80.727%0.27345%0.451SS..THydrogen-bonded Turntrans-77.3-27.2175.900000113.8V219 A223 T233V219-A235 HydrophobicContact CG1-CB 4.24Å; A223-A235 HydrophobicContact CB-CB 4.21Å; T233-A235 PolarHBondContact O-N 3.04Å
236S84.9Confident86.2Confident0 Ų081.4 Ų81.40%045%0.45CS..THydrogen-bonded Turntrans-93.8-17.7-177.559.50000115.4S226 T233 P238 H239 V240S226-S236 WeakPolarHBondContact OG-CB 3.34Å; S226-S236 PolarHBondContact OG-OG 3.04Å; S226-S236 VanDerWaalsContact OG-OG 3.1Å; T233-S236 PolarHBondContact N-OG 3.12Å; T233-S236 PolarHBondContact O-N 2.99Å; T233-S236 PolarHBondContact O-OG 3.33Å; T233-S236 PolarHBondContact OG1-N 3.34Å; T233-S236 PolarHBondContact OG1-OG 3.22Å; S236-P238 VanDerWaalsContact C-CD 3.46Å; S236-H239 PolarHBondContact O-N 3.17Å; S236-V240 WeakPolarHBondContact O-CG2 3.43Å; S236-V240 PolarHBondContact O-N 2.97Å
237I87Confident86.1Confident85 Ų8586.3 Ų86.344%0.43648%0.475SS..Hα-helixtrans-48.4-48.6179.1-68.7164.9000113T233 H239 V240 L241T233-I237 WeakPolarHBondContact O-CG1 3.44Å; T233-I237 PolarHBondContact O-N 2.71Å; T233-I237 VanDerWaalsContact O-N 3.13Å; I237-H239 VanDerWaalsContact C-N 3.27Å; I237-H239 PolarHBondContact O-N 3.48Å; I237-V240 PolarHBondContact O-N 3.21Å; I237-L241 HydrophobicContact CG2-CD1 3.83Å; I237-L241 HydrophobicContact CG2-CG 4.41Å; I237-L241 WeakPolarHBondContact O-CG 3.47Å; I237-L241 PolarHBondContact O-N 3.34Å
238P85.7Confident86.1Confident80 Ų8088.7 Ų88.752%0.51949%0.487SS..Hα-helixtrans-61.9-36.2-179.6-2234.4000112.7S236 A242S236-P238 VanDerWaalsContact C-CD 3.46Å; P238-A242 VanDerWaalsContact O-CB 3.27Å; P238-A242 WeakPolarHBondContact O-CB 3.49Å; P238-A242 PolarHBondContact O-N 2.89Å
239H87.2Confident85.9Confident97 Ų9785.9 Ų85.945%0.44946%0.461SS..Hα-helixtrans-75.1-38.4180-62.6-62.8000112.3L227 S236 I237 A242 N243L227-H239 HydrophobicContact CD1-CB 3.7Å; L227-H239 HydrophobicContact CD2-CB 3.93Å; L227-H239 HydrophobicContact CG-CB 4.36Å; S236-H239 PolarHBondContact O-N 3.17Å; I237-H239 VanDerWaalsContact C-N 3.27Å; I237-H239 PolarHBondContact O-N 3.48Å; H239-A242 PolarHBondContact O-N 3.41Å; H239-N243 WeakPolarHBondContact O-CB 3.45Å; H239-N243 VanDerWaalsContact O-CG 3.23Å; H239-N243 PolarHBondContact O-N 3.29Å; H239-N243 PolarHBondContact O-ND2 3.45Å
240V88.1Confident85.5Confident61 Ų6182 Ų8237%0.3745%0.449SS..Hα-helixtrans-63.5-45.4174.6176.30000110.6L227 T232 S236 I237 N243 G244L227-V240 HydrophobicContact CD2-CG2 3.45Å; L227-V240 VanDerWaalsContact CD2-CG2 3.45Å; T232-V240 HydrophobicContact CG2-CG2 4.32Å; S236-V240 WeakPolarHBondContact O-CG2 3.43Å; S236-V240 PolarHBondContact O-N 2.97Å; I237-V240 PolarHBondContact O-N 3.21Å; V240-N243 PolarHBondContact O-N 2.96Å; V240-G244 PolarHBondContact O-N 3.01Å
241L87.8Confident85.6Confident121 Ų12180 Ų8063%0.63444%0.437SS*.Hα-helixtrans-63.6-43.2176.7-71.5172000111.8I237 G244 F245I237-L241 HydrophobicContact CG2-CD1 3.83Å; I237-L241 HydrophobicContact CG2-CG 4.41Å; I237-L241 WeakPolarHBondContact O-CG 3.47Å; I237-L241 PolarHBondContact O-N 3.34Å; L241-G244 PolarHBondContact O-N 3.32Å; L241-F245 WeakPolarHBondContact O-CB 3.35Å; L241-F245 PolarHBondContact O-N 3.34Å
242A87Confident85.5Confident45 Ų4572.4 Ų72.437%0.37241%0.408SS..Hα-helixtrans-64.1-39.9176.600000112.6P238 H239 F245 K246P238-A242 VanDerWaalsContact O-CB 3.27Å; P238-A242 WeakPolarHBondContact O-CB 3.49Å; P238-A242 PolarHBondContact O-N 2.89Å; H239-A242 PolarHBondContact O-N 3.41Å; A242-F245 PolarHBondContact O-N 2.74Å; A242-K246 WeakPolarHBondContact O-CG 3.3Å; A242-K246 PolarHBondContact O-N 2.85Å
243N87.6Confident85.1Confident73 Ų7372.1 Ų72.139%0.3940%0.403SS..Hα-helixtrans-68.5-40.8175.6-73.3-13.9000111.6H239 V240 F245 K246 N247H239-N243 WeakPolarHBondContact O-CB 3.45Å; H239-N243 VanDerWaalsContact O-CG 3.23Å; H239-N243 PolarHBondContact O-N 3.29Å; H239-N243 PolarHBondContact O-ND2 3.45Å; V240-N243 PolarHBondContact O-N 2.96Å; N243-F245 VanDerWaalsContact C-N 3.33Å; N243-F245 PolarHBondContact O-N 3.4Å; N243-K246 PolarHBondContact O-N 3.49Å; N243-N247 PolarHBondContact O-N 3.47Å
244G87.7Confident84.8Confident32 Ų3278.5 Ų78.533%0.3343%0.432SS..Hα-helixtrans-58-45.5172.400000111.8V240 L241 N247 L248V240-G244 PolarHBondContact O-N 3.01Å; L241-G244 PolarHBondContact O-N 3.32Å; G244-N247 PolarHBondContact O-N 3.17Å; G244-L248 WeakPolarHBondContact O-CG 3.28Å; G244-L248 PolarHBondContact O-N 2.99Å
245F87.8Confident84.5Confident72 Ų7273.6 Ų73.632%0.31641%0.409SS..Hα-helixtrans-64.3-41.6176.9-171.3-110.2000112.9L241 A242 N243 N247 L248 L249 F259 E261L241-F245 WeakPolarHBondContact O-CB 3.35Å; L241-F245 PolarHBondContact O-N 3.34Å; A242-F245 PolarHBondContact O-N 2.74Å; N243-F245 VanDerWaalsContact C-N 3.33Å; N243-F245 PolarHBondContact O-N 3.4Å; F245-N247 VanDerWaalsContact C-N 3.31Å; F245-N247 PolarHBondContact O-N 3.14Å; F245-L248 PolarHBondContact O-N 3.32Å; F245-L249 HydrophobicContact CD1-CD1 3.67Å; F245-L249 HydrophobicContact CD1-CG 4.18Å; F245-L249 HydrophobicContact CE1-CD1 3.42Å; F245-L249 VanDerWaalsContact CE1-CD1 3.42Å; F245-L249 HydrophobicContact CE1-CD2 4.31Å; F245-L249 HydrophobicContact CE1-CG 3.9Å; F245-L249 HydrophobicContact CZ-CD1 4.14Å; F245-L249 HydrophobicContact CZ-CD2 4.21Å; F245-L249 HydrophobicContact CZ-CG 4.16Å; F245-L249 WeakPolarHBondContact O-CG 3.36Å; F245-L249 PolarHBondContact O-N 2.88Å; F245-F259 AromaticContact CE2-CE2 3.59Å; F245-F259 HydrophobicContact CE2-CE2 3.59Å; F245-F259 HydrophobicContact CE2-CZ 4.05Å; F245-F259 AromaticContact CZ-CE2 3.86Å; F245-F259 HydrophobicContact CZ-CE2 3.86Å; F245-F259 HydrophobicContact CZ-CZ 4.38Å; F245-E261 HydrophobicContact CE2-CB 4.39Å; F245-E261 WeakPolarHBondContact CE2-OE2 3.17Å; F245-E261 HydrophobicContact CZ-CB 3.85Å
246K86.3Confident84Confident130 Ų13079.7 Ų79.757%0.56544%0.437SS*.Hα-helixtrans-59.6-39.9173.3-75.3174.1-177.8178.50112.5A242 N243 L249 A250A242-K246 WeakPolarHBondContact O-CG 3.3Å; A242-K246 PolarHBondContact O-N 2.85Å; N243-K246 PolarHBondContact O-N 3.49Å; K246-L249 PolarHBondContact O-N 3.32Å; K246-A250 WeakPolarHBondContact O-CB 3.34Å; K246-A250 PolarHBondContact O-N 3.21Å
247N86.8Confident83.3Confident110 Ų11089 Ų8959%0.58847%0.473SS*.Hα-helixtrans-65.2-42.1176.3-69.6-13.2000111.4N243 G244 F245 L249 A250 L251N243-N247 PolarHBondContact O-N 3.47Å; G244-N247 PolarHBondContact O-N 3.17Å; F245-N247 VanDerWaalsContact C-N 3.31Å; F245-N247 PolarHBondContact O-N 3.14Å; N247-L249 VanDerWaalsContact C-N 3.35Å; N247-A250 PolarHBondContact O-N 3Å; N247-L251 WeakPolarHBondContact O-CG 3.46Å; N247-L251 PolarHBondContact O-N 3.32Å
248L85.3Confident82.5Confident99 Ų9987.9 Ų87.952%0.51847%0.473SS..Hα-helixtrans-63.5-39.9174.4-66.9176.8000112.2G244 F245 L251 S252 F259G244-L248 WeakPolarHBondContact O-CG 3.28Å; G244-L248 PolarHBondContact O-N 2.99Å; F245-L248 PolarHBondContact O-N 3.32Å; L248-L251 PolarHBondContact O-N 3.03Å; L248-S252 WeakPolarHBondContact O-CB 3.45Å; L248-S252 PolarHBondContact O-N 3.2Å; L248-F259 HydrophobicContact CB-CE1 4.45Å; L248-F259 HydrophobicContact CB-CZ 4.43Å
249L82.1Confident82Confident23 Ų2387.1 Ų87.112%0.1246%0.462CS..Hα-helixtrans-63.7-45.6174.7-75.3173.8000112.1F245 K246 N247 L251 S252 L253 F259 A262 I265F245-L249 HydrophobicContact CD1-CD1 3.67Å; F245-L249 HydrophobicContact CD1-CG 4.18Å; F245-L249 HydrophobicContact CE1-CD1 3.42Å; F245-L249 VanDerWaalsContact CE1-CD1 3.42Å; F245-L249 HydrophobicContact CE1-CD2 4.31Å; F245-L249 HydrophobicContact CE1-CG 3.9Å; F245-L249 HydrophobicContact CZ-CD1 4.14Å; F245-L249 HydrophobicContact CZ-CD2 4.21Å; F245-L249 HydrophobicContact CZ-CG 4.16Å; F245-L249 WeakPolarHBondContact O-CG 3.36Å; F245-L249 PolarHBondContact O-N 2.88Å; K246-L249 PolarHBondContact O-N 3.32Å; N247-L249 VanDerWaalsContact C-N 3.35Å; L249-L251 VanDerWaalsContact C-N 3.29Å; L249-L251 PolarHBondContact O-N 3.28Å; L249-S252 WeakPolarHBondContact CA-OG 3.33Å; L249-S252 CarbonylContact O-C 3.57Å; L249-S252 PolarHBondContact O-N 2.96Å; L249-S252 VanDerWaalsContact O-N 3.11Å; L249-S252 PolarHBondContact O-OG 2.93Å; L249-L253 WeakPolarHBondContact O-CG 3.27Å; L249-L253 PolarHBondContact O-N 3.04Å; L249-F259 HydrophobicContact CD2-CE1 4.4Å; L249-F259 HydrophobicContact CD2-CE2 3.97Å; L249-F259 HydrophobicContact CD2-CZ 3.5Å; L249-F259 HydrophobicContact CG-CZ 4.06Å; L249-A262 HydrophobicContact CD2-CB 3.8Å; L249-I265 HydrophobicContact CD1-CD1 3.45Å; L249-I265 VanDerWaalsContact CD1-CD1 3.45Å; L249-I265 HydrophobicContact CD2-CD1 3.71Å; L249-I265 HydrophobicContact CG-CD1 4.25Å
250A82Confident81.3Confident53 Ų5391.1 Ų91.144%0.43848%0.478SS..Hα-helixtrans-59.3-41.4176.300000111.7K246 N247 L253 M254K246-A250 WeakPolarHBondContact O-CB 3.34Å; K246-A250 PolarHBondContact O-N 3.21Å; N247-A250 PolarHBondContact O-N 3Å; A250-L253 PolarHBondContact O-N 3.37Å; A250-M254 WeakPolarHBondContact O-CG 3.44Å; A250-M254 PolarHBondContact O-N 3.09Å
251L83Confident80.5Confident108 Ų10893.6 Ų93.657%0.56549%0.485SS*.Hα-helixtrans-63.7-42.4173.3-69.3173.5000112N247 L248 L249 L253 M254 T255N247-L251 WeakPolarHBondContact O-CG 3.46Å; N247-L251 PolarHBondContact O-N 3.32Å; L248-L251 PolarHBondContact O-N 3.03Å; L249-L251 VanDerWaalsContact C-N 3.29Å; L249-L251 PolarHBondContact O-N 3.28Å; L251-L253 VanDerWaalsContact C-N 3.25Å; L251-L253 PolarHBondContact O-N 3.26Å; L251-M254 PolarHBondContact O-N 3.01Å; L251-T255 WeakPolarHBondContact O-CB 3.23Å; L251-T255 WeakPolarHBondContact O-CG2 3.37Å; L251-T255 PolarHBondContact O-N 3.48Å; L251-T255 PolarHBondContact O-OG1 2.71Å
252S82.4Confident79.5Confident5 Ų587.9 Ų87.94%0.03546%0.455CS..Hα-helixtrans-68.3-20.7177.676.40000114.1L248 L249 T255 Y257 A262 K266L248-S252 WeakPolarHBondContact O-CB 3.45Å; L248-S252 PolarHBondContact O-N 3.2Å; L249-S252 WeakPolarHBondContact CA-OG 3.33Å; L249-S252 CarbonylContact O-C 3.57Å; L249-S252 PolarHBondContact O-N 2.96Å; L249-S252 VanDerWaalsContact O-N 3.11Å; L249-S252 PolarHBondContact O-OG 2.93Å; S252-T255 CarbonylContact C-O 3.52Å; S252-Y257 WeakPolarHBondContact CB-O 3.49Å; S252-A262 WeakPolarHBondContact OG-CB 3.38Å; S252-K266 WeakPolarHBondContact O-CE 3.31Å; S252-K266 PolarHBondContact O-NZ 3.24Å
253L76.4Confident78.5Confident88 Ų8889.9 Ų89.946%0.46146%0.457SS..Hα-helixtrans-81.2-36.1173.3-73.9171.5000111.6L249 A250 L251 K266 L269L249-L253 WeakPolarHBondContact O-CG 3.27Å; L249-L253 PolarHBondContact O-N 3.04Å; A250-L253 PolarHBondContact O-N 3.37Å; L251-L253 VanDerWaalsContact C-N 3.25Å; L251-L253 PolarHBondContact O-N 3.26Å; L253-K266 HydrophobicContact CD2-CG 3.93Å; L253-L269 HydrophobicContact CD1-CD1 4.22Å; L253-L269 HydrophobicContact CD2-CD1 3.98Å
254M78.7Confident77.5Confident170 Ų17092 Ų9284%0.83747%0.465SS*.Hα-helixtrans-80.4-19.2176.8-66.6-63.3176.500113.2A250 L251A250-M254 WeakPolarHBondContact O-CG 3.44Å; A250-M254 PolarHBondContact O-N 3.09Å; L251-M254 PolarHBondContact O-N 3.01Å
255T78.6Confident76.4Confident61 Ų6193.2 Ų93.237%0.37446%0.463SS..SBendtrans-115.6157178.863.50000110.9L251 S252 Y257L251-T255 WeakPolarHBondContact O-CB 3.23Å; L251-T255 WeakPolarHBondContact O-CG2 3.37Å; L251-T255 PolarHBondContact O-N 3.48Å; L251-T255 PolarHBondContact O-OG1 2.71Å; S252-T255 CarbonylContact C-O 3.52Å; T255-Y257 PolarHBondContact O-N 3.24Å
256D71.4Confident75.3Confident160 Ų16092.8 Ų92.886%0.85646%0.461SS*.SBendtrans-74.1-8.8177.5-59.9-42.9000113.1S258D256-S258 PolarHBondContact O-N 2.93Å
257Y70.1Confident74.3Confident196 Ų19692.4 Ų92.477%0.76946%0.461SS*.  trans-72.7111.5179.4-72.6-78000110.9S252 T255S252-Y257 WeakPolarHBondContact CB-O 3.49Å; T255-Y257 PolarHBondContact O-N 3.24Å
258S71.3Confident73Confident61 Ų6190.6 Ų90.643%0.42745%0.448SS..  trans-99.3152173.163.90000111.9D256 E263D256-S258 PolarHBondContact O-N 2.93Å; S258-E263 WeakPolarHBondContact CB-OE1 3.43Å; S258-E263 PolarHBondContact OG-OE1 3.3Å
259F74.4Confident71.9Confident64 Ų6490.9 Ų90.928%0.28145%0.45SS..  trans-127.2158.2165.155.3-91.2000108.5F245 L248 L249 E261 A262 E263F245-F259 AromaticContact CE2-CE2 3.59Å; F245-F259 HydrophobicContact CE2-CE2 3.59Å; F245-F259 HydrophobicContact CE2-CZ 4.05Å; F245-F259 AromaticContact CZ-CE2 3.86Å; F245-F259 HydrophobicContact CZ-CE2 3.86Å; F245-F259 HydrophobicContact CZ-CZ 4.38Å; L248-F259 HydrophobicContact CB-CE1 4.45Å; L248-F259 HydrophobicContact CB-CZ 4.43Å; L249-F259 HydrophobicContact CD2-CE1 4.4Å; L249-F259 HydrophobicContact CD2-CE2 3.97Å; L249-F259 HydrophobicContact CD2-CZ 3.5Å; L249-F259 HydrophobicContact CG-CZ 4.06Å; F259-E261 HydrophobicContact CD2-CB 3.92Å; F259-E261 HydrophobicContact CE2-CB 3.87Å; F259-E261 PolarHBondContact O-N 3.37Å; F259-A262 HydrophobicContact CD1-CB 3.73Å; F259-A262 HydrophobicContact CD2-CB 3.86Å; F259-A262 HydrophobicContact CE1-CB 3.63Å; F259-A262 HydrophobicContact CE2-CB 3.74Å; F259-A262 HydrophobicContact CG-CB 3.86Å; F259-A262 HydrophobicContact CZ-CB 3.64Å; F259-A262 WeakPolarHBondContact O-CA 3.4Å; F259-A262 WeakPolarHBondContact O-CB 3.49Å; F259-A262 PolarHBondContact O-N 3.35Å; F259-E263 PolarHBondContact O-N 3.07Å
260K73.3Confident71.1Confident182 Ų18293.4 Ų93.479%0.79147%0.474SS*.Hα-helixtrans-47.8-37.5-170.7-65.6-178.2178.7178.70114.8
261E70.8Confident70.1Confident112 Ų11294.1 Ų94.152%0.52347%0.47SS..Hα-helixtrans-83.4-27.1-179.5-59.6159.6162.800112.5F245 F259F245-E261 HydrophobicContact CE2-CB 4.39Å; F245-E261 WeakPolarHBondContact CE2-OE2 3.17Å; F245-E261 HydrophobicContact CZ-CB 3.85Å; F259-E261 HydrophobicContact CD2-CB 3.92Å; F259-E261 HydrophobicContact CE2-CB 3.87Å; F259-E261 PolarHBondContact O-N 3.37Å
262A65.8Low69Low1 Ų193.5 Ų93.51%0.00847%0.473CS..Hα-helixtrans-73-32.6172.500000112.4L249 S252 F259 Q264 I265 K266L249-A262 HydrophobicContact CD2-CB 3.8Å; S252-A262 WeakPolarHBondContact OG-CB 3.38Å; F259-A262 HydrophobicContact CD1-CB 3.73Å; F259-A262 HydrophobicContact CD2-CB 3.86Å; F259-A262 HydrophobicContact CE1-CB 3.63Å; F259-A262 HydrophobicContact CE2-CB 3.74Å; F259-A262 HydrophobicContact CG-CB 3.86Å; F259-A262 HydrophobicContact CZ-CB 3.64Å; F259-A262 WeakPolarHBondContact O-CA 3.4Å; F259-A262 WeakPolarHBondContact O-CB 3.49Å; F259-A262 PolarHBondContact O-N 3.35Å; A262-Q264 VanDerWaalsContact C-N 3.33Å; A262-Q264 PolarHBondContact O-N 3.23Å; A262-I265 PolarHBondContact O-N 3.03Å; A262-I265 VanDerWaalsContact O-N 3.17Å; A262-K266 WeakPolarHBondContact O-CG 3.49Å; A262-K266 PolarHBondContact O-N 3.1Å
263E66.7Low68.1Low88 Ų8897.5 Ų97.541%0.41150%0.501SS..Hα-helixtrans-61.6-42.8178-69.8176.2173.700111.3S258 F259 I265 K266 E267S258-E263 WeakPolarHBondContact CB-OE1 3.43Å; S258-E263 PolarHBondContact OG-OE1 3.3Å; F259-E263 PolarHBondContact O-N 3.07Å; E263-I265 VanDerWaalsContact C-N 3.29Å; E263-I265 PolarHBondContact O-N 3.17Å; E263-K266 PolarHBondContact O-N 3.41Å; E263-E267 WeakPolarHBondContact O-CG 3.49Å; E263-E267 PolarHBondContact O-N 3.33Å
264Q67.4Low67.2Low118 Ų11898 Ų9855%0.55150%0.499SS*.Hα-helixtrans-56-45.7173.5-66.7-178-8.700111.2A262 E267 F268A262-Q264 VanDerWaalsContact C-N 3.33Å; A262-Q264 PolarHBondContact O-N 3.23Å; Q264-E267 PolarHBondContact O-N 2.96Å; Q264-F268 HydrophobicContact CB-CD2 4.31Å; Q264-F268 HydrophobicContact CB-CE2 4.11Å; Q264-F268 WeakPolarHBondContact O-CB 3.48Å; Q264-F268 WeakPolarHBondContact O-CD2 3.49Å; Q264-F268 WeakPolarHBondContact O-CG 3.22Å; Q264-F268 PolarHBondContact O-N 3.27Å
265I63.3Low65.9Low56 Ų5696 Ų9629%0.28748%0.484SS..Hα-helixtrans-71-36.6-179.5-64170.5000111.6L249 A262 E263 E267 F268 L269L249-I265 HydrophobicContact CD1-CD1 3.45Å; L249-I265 VanDerWaalsContact CD1-CD1 3.45Å; L249-I265 HydrophobicContact CD2-CD1 3.71Å; L249-I265 HydrophobicContact CG-CD1 4.25Å; A262-I265 PolarHBondContact O-N 3.03Å; A262-I265 VanDerWaalsContact O-N 3.17Å; E263-I265 VanDerWaalsContact C-N 3.29Å; E263-I265 PolarHBondContact O-N 3.17Å; I265-E267 VanDerWaalsContact C-N 3.34Å; I265-F268 PolarHBondContact O-N 2.68Å; I265-L269 HydrophobicContact CG2-CD1 4.06Å; I265-L269 HydrophobicContact CG2-CG 4.35Å; I265-L269 WeakPolarHBondContact O-CB 3.33Å; I265-L269 VanDerWaalsContact O-CG 3.31Å; I265-L269 WeakPolarHBondContact O-CG 3.38Å; I265-L269 PolarHBondContact O-N 3.27Å
266K64.4Low64.3Low64 Ų6495.8 Ų95.828%0.27849%0.487SS..Hα-helixtrans-61.7-42.2172.6-74.3-175.9-179.9-1710111.1S252 L253 A262 E263 L269 A270S252-K266 WeakPolarHBondContact O-CE 3.31Å; S252-K266 PolarHBondContact O-NZ 3.24Å; L253-K266 HydrophobicContact CD2-CG 3.93Å; A262-K266 WeakPolarHBondContact O-CG 3.49Å; A262-K266 PolarHBondContact O-N 3.1Å; E263-K266 PolarHBondContact O-N 3.41Å; K266-L269 PolarHBondContact O-N 3Å; K266-A270 WeakPolarHBondContact O-CB 3.47Å; K266-A270 PolarHBondContact O-N 3.45Å
267E65.3Low63.2Low122 Ų12292.8 Ų92.857%0.5748%0.475SS*.Hα-helixtrans-66.5-40.2174.3-72.2179.6-173.300112.4E263 Q264 I265 A270 D271E263-E267 WeakPolarHBondContact O-CG 3.49Å; E263-E267 PolarHBondContact O-N 3.33Å; Q264-E267 PolarHBondContact O-N 2.96Å; I265-E267 VanDerWaalsContact C-N 3.34Å; E267-A270 PolarHBondContact O-N 2.91Å; E267-D271 PolarHBondContact O-N 3.38Å
268F60.5Low62Low72 Ų7287.7 Ų87.732%0.31646%0.464SS..Hα-helixtrans-68.2-31.5176.4-76.5-57.5000113.3Q264 I265 D271 K274 Y275Q264-F268 HydrophobicContact CB-CD2 4.31Å; Q264-F268 HydrophobicContact CB-CE2 4.11Å; Q264-F268 WeakPolarHBondContact O-CB 3.48Å; Q264-F268 WeakPolarHBondContact O-CD2 3.49Å; Q264-F268 WeakPolarHBondContact O-CG 3.22Å; Q264-F268 PolarHBondContact O-N 3.27Å; I265-F268 PolarHBondContact O-N 2.68Å; F268-D271 CarbonylContact O-C 3.51Å; F268-K274 HydrophobicContact CD1-CB 4.38Å; F268-K274 HydrophobicContact CE1-CB 4.36Å; F268-Y275 HydrophobicContact CB-CD2 4.37Å; F268-Y275 HydrophobicContact CB-CE2 3.79Å; F268-Y275 HydrophobicContact CD1-CD2 4.44Å; F268-Y275 HydrophobicContact CD1-CE2 4.5Å; F268-Y275 HydrophobicContact CG-CE2 4.39Å
269L61.7Low60.3Low105 Ų10589.1 Ų89.155%0.5547%0.47SS..Hα-helixtrans-76-33.6173.7-73.6172000112.2L253 I265 K266L253-L269 HydrophobicContact CD1-CD1 4.22Å; L253-L269 HydrophobicContact CD2-CD1 3.98Å; I265-L269 HydrophobicContact CG2-CD1 4.06Å; I265-L269 HydrophobicContact CG2-CG 4.35Å; I265-L269 WeakPolarHBondContact O-CB 3.33Å; I265-L269 VanDerWaalsContact O-CG 3.31Å; I265-L269 WeakPolarHBondContact O-CG 3.38Å; I265-L269 PolarHBondContact O-N 3.27Å; K266-L269 PolarHBondContact O-N 3Å
270A66.1Low58.4Low75 Ų7590.8 Ų90.862%0.6249%0.486SS*.Hα-helixtrans-71.4-38.8174.400000112.3K266 E267 P272K266-A270 WeakPolarHBondContact O-CB 3.47Å; K266-A270 PolarHBondContact O-N 3.45Å; E267-A270 PolarHBondContact O-N 2.91Å; A270-P272 VanDerWaalsContact O-CD 3.29Å; A270-P272 WeakPolarHBondContact O-CD 3.18Å
271D61.3Low56.4Low68 Ų6887.6 Ų87.636%0.36448%0.482SS..  trans-117.380.5-179.3-72.2-27.9000112.3E267 F268 S273 K274E267-D271 PolarHBondContact O-N 3.38Å; F268-D271 CarbonylContact O-C 3.51Å; D271-S273 PolarHBondContact O-N 2.84Å; D271-K274 HydrophobicContact CB-CD 4.14Å; D271-K274 HydrophobicContact CB-CG 4.26Å; D271-K274 PolarHBondContact O-N 2.83Å; D271-K274 VanDerWaalsContact O-N 3.16Å; D271-K274 IonicContact OD2-NZ 2.8Å; D271-K274 PolarHBondContact OD2-NZ 3.22Å
272P58.6Low54.4Low95 Ų9588.2 Ų88.262%0.61749%0.493SS*.G310 helixtrans-63.7-13.5177.724.6-33.4000113.8A270 K274 Y275A270-P272 VanDerWaalsContact O-CD 3.29Å; A270-P272 WeakPolarHBondContact O-CD 3.18Å; P272-K274 VanDerWaalsContact C-N 3.32Å; P272-K274 PolarHBondContact O-N 3.2Å; P272-Y275 WeakPolarHBondContact O-CB 3.39Å; P272-Y275 PolarHBondContact O-N 3.06Å
273S64.7Low52.5Low90 Ų9092.3 Ų92.363%0.62953%0.527SS*.G310 helixtrans-71.3-22.3175.956.40000113.6D271 Y275D271-S273 PolarHBondContact O-N 2.84Å; S273-Y275 VanDerWaalsContact C-N 3.34Å
274K57.6Low50.6Low97 Ų9792.7 Ų92.742%0.42255%0.545SS..G310 helixtrans-76.3-20177-68.1179.7-178.4149.10113.1F268 D271 P272 A276 T277F268-K274 HydrophobicContact CD1-CB 4.38Å; F268-K274 HydrophobicContact CE1-CB 4.36Å; D271-K274 HydrophobicContact CB-CD 4.14Å; D271-K274 HydrophobicContact CB-CG 4.26Å; D271-K274 PolarHBondContact O-N 2.83Å; D271-K274 VanDerWaalsContact O-N 3.16Å; D271-K274 IonicContact OD2-NZ 2.8Å; D271-K274 PolarHBondContact OD2-NZ 3.22Å; P272-K274 VanDerWaalsContact C-N 3.32Å; P272-K274 PolarHBondContact O-N 3.2Å; K274-A276 VanDerWaalsContact C-N 3.32Å; K274-A276 PolarHBondContact O-N 3.16Å; K274-T277 PolarHBondContact O-N 3.13Å; K274-T277 PolarHBondContact O-OG1 3.03Å
275Y51Low48.7Very low130 Ų13091.6 Ų91.651%0.5156%0.556SS.*Hα-helixtrans-60.5-36.6174.9-101.2-87.5000113.4F268 P272 S273 T277 V278 T279F268-Y275 HydrophobicContact CB-CD2 4.37Å; F268-Y275 HydrophobicContact CB-CE2 3.79Å; F268-Y275 HydrophobicContact CD1-CD2 4.44Å; F268-Y275 HydrophobicContact CD1-CE2 4.5Å; F268-Y275 HydrophobicContact CG-CE2 4.39Å; P272-Y275 WeakPolarHBondContact O-CB 3.39Å; P272-Y275 PolarHBondContact O-N 3.06Å; S273-Y275 VanDerWaalsContact C-N 3.34Å; Y275-T277 VanDerWaalsContact C-N 3.28Å; Y275-T277 PolarHBondContact O-N 3.45Å; Y275-V278 PolarHBondContact O-N 3.4Å; Y275-T279 PolarHBondContact O-N 3.03Å; Y275-T279 PolarHBondContact O-OG1 2.93Å
276A44.7Very low47.1Very low55 Ų5595.1 Ų95.146%0.45558%0.583SS.*Hα-helixtrans-67.7-26.6-174.600000113.4K274 V278 T279 T280K274-A276 VanDerWaalsContact C-N 3.32Å; K274-A276 PolarHBondContact O-N 3.16Å; A276-V278 VanDerWaalsContact C-N 3.34Å; A276-T279 PolarHBondContact O-OG1 3.14Å; A276-T280 VanDerWaalsContact O-CG2 3.3Å; A276-T280 WeakPolarHBondContact O-CG2 3.49Å; A276-T280 PolarHBondContact O-N 3.49Å; A276-T280 PolarHBondContact O-OG1 3.22Å
277T47.9Very low45.1Very low97 Ų9796.3 Ų96.360%0.59560%0.604SS**Hα-helixtrans-76.4-22.7-179.860.80000113K274 Y275 T280K274-T277 PolarHBondContact O-N 3.13Å; K274-T277 PolarHBondContact O-OG1 3.03Å; Y275-T277 VanDerWaalsContact C-N 3.28Å; Y275-T277 PolarHBondContact O-N 3.45Å; T277-T280 PolarHBondContact O-OG1 3.11Å
278V45Very low43.3Very low90 Ų9096.5 Ų96.555%0.54562%0.616SS.*Hα-helixtrans-90.1-38.3177.9-174.90000110.9Y275 A276 T280 T281Y275-V278 PolarHBondContact O-N 3.4Å; A276-V278 VanDerWaalsContact C-N 3.34Å; V278-T280 VanDerWaalsContact C-N 3.31Å; V278-T280 PolarHBondContact O-N 3.08Å; V278-T281 PolarHBondContact O-N 3.24Å; V278-T281 PolarHBondContact O-OG1 3.11Å
279T36.7Very low41.4Very low90 Ų9098.8 Ų98.855%0.55264%0.636SS**Hα-helixtrans-69.6-26.4178.451.90000113.5Y275 A276 T281 V282Y275-T279 PolarHBondContact O-N 3.03Å; Y275-T279 PolarHBondContact O-OG1 2.93Å; A276-T279 PolarHBondContact O-OG1 3.14Å; T279-T281 PolarHBondContact O-N 3.18Å; T279-V282 PolarHBondContact O-N 3.15Å
280T32.9Very low39.4Very low100 Ų10099.4 Ų99.461%0.61365%0.645SS**THydrogen-bonded Turntrans-72.2-13.5176.743.20000114.1A276 T277 V278A276-T280 VanDerWaalsContact O-CG2 3.3Å; A276-T280 WeakPolarHBondContact O-CG2 3.49Å; A276-T280 PolarHBondContact O-N 3.49Å; A276-T280 PolarHBondContact O-OG1 3.22Å; T277-T280 PolarHBondContact O-OG1 3.11Å; V278-T280 VanDerWaalsContact C-N 3.31Å; V278-T280 PolarHBondContact O-N 3.08Å
281T31.3Very low37.3Very low114 Ų114101.6 Ų101.670%0.69965%0.65SS**THydrogen-bonded Turntrans-88.7-3.6174.761.70000114.5V278 T279V278-T281 PolarHBondContact O-N 3.24Å; V278-T281 PolarHBondContact O-OG1 3.11Å; T279-T281 PolarHBondContact O-N 3.18Å
282V30.1Very low35.4Very low126 Ų126105.2 Ų105.276%0.76468%0.675SS**SBendtrans-120.719.5176.4-1570000112.2T279 A284T279-V282 PolarHBondContact O-N 3.15Å; V282-A284 PolarHBondContact O-N 3.47Å
283A26.4Very low33.7Very low87 Ų87110.7 Ų110.772%0.71969%0.689SS**  trans-85.480.9170.200000111
284A25.1Very low31.8Very low96 Ų96111.2 Ų111.279%0.79370%0.699SS**  trans-151.369.7164.100000112.4V282V282-A284 PolarHBondContact O-N 3.47Å
285A28.1Very low30.3Very low95 Ų95115.7 Ų115.779%0.78572%0.722SS**SBendtrans-173.3142.1145.500000110
286P30.6Very low29.2Very low129 Ų129118.8 Ų118.884%0.83874%0.741SS**  trans-90149-14834.1-34.1000114.7
287A22.2Very low28.3Very low89 Ų89125.8 Ų125.874%0.73676%0.761SS**  trans-65144179.100000113.7
288P26.9Very low27.3Very low126 Ų126125.9 Ų125.982%0.81877%0.771SS**  trans-84.7113.5152.630-20.3000109.1
289T20.1Very low26.5Very low120 Ų120125.9 Ų125.974%0.73678%0.781SS**  trans-60127.916142.30000110.4
290T21.1Very low26.2Very low119 Ų119127.5 Ų127.573%0.7379%0.793SS**  162.5126108.642.10000112.5
291T20.7Very low26Very low120 Ų120129.2 Ų129.274%0.73680%0.803SS**  trans61.3114.1138.359.30000120.5
292T23Very low25.8Very low144 Ų144132.8 Ų132.888%0.88381%0.811SS**  -165.5130.4106.725.30000111.6
293K22.8Very low25.6Very low211 Ų211133 Ų13392%0.91781%0.813SS**  trans-60.3135171.4-78.1169163.3175.80111.9
294A24.7Very low25.7Very low101 Ų101134.7 Ų134.784%0.83582%0.816SS**  trans-164.485.5148.400000108.8
295E26.2Very low25.4Very low191 Ų191135.2 Ų135.289%0.89382%0.815SS**  trans-108.399.8162.7-89.2-173.4159.500107.7
296E26.3Very low25.2Very low195 Ų195139.3 Ų139.391%0.91182%0.817SS**  trans-87.8108.4166.6-164.6169.6-154.400106.5
297K27.4Very low24.9Very low202 Ų202141.4 Ų141.488%0.87882%0.816SS**  trans-108.983.6-179.1-146.2176.4-168.3174.60107.8
298A26.8Very low24.9Very low99 Ų99142 Ų14282%0.81882%0.815SS**  trans-88.2108.1169.800000108.7
299A27.2Very low25Very low89 Ų89143.6 Ų143.674%0.73682%0.816SS**PPolyproline II helixtrans-89.8159.4174.200000110.6
300P29.8Very low25.4Very low125 Ų125145.5 Ų145.581%0.81282%0.822SS**PPolyproline II helixtrans-90.9156.2-148.932.2-29.5000115.4
301V29.6Very low26.1Very low136 Ų136146.9 Ų146.982%0.82483%0.825SS**PPolyproline II helixtrans-71.5116.2-177.8177.60000110.8
302E27.1Very low27.4Very low188 Ų188149.3 Ų149.388%0.87983%0.83SS**PPolyproline II helixtrans-86.4133.4160-78.2-178159.300109.5
303V26Very low28.2Very low131 Ų131145.7 Ų145.779%0.79482%0.821SS**PPolyproline II helixtrans-83.2127.6-174.6-168.10000109.1
304P28.2Very low28.9Very low122 Ų122146.2 Ų146.279%0.79282%0.824SS**PPolyproline II helixtrans-78.3128.6171.4-5.522.6000110.5
305S19.8Very low29.8Very low108 Ų108144.6 Ų144.676%0.75582%0.817SS**PPolyproline II helixtrans-84.1124.1162.852.30000109.8
306E22.1Very low31.3Very low180 Ų180142.9 Ų142.984%0.84181%0.814SS**  trans170.5149.7134.1-95.2176.6-178.400111.8
307E24.4Very low32.6Very low174 Ų174143.8 Ų143.881%0.81382%0.815SS**  trans79.693.9170.9-60.1176.4171.300116
308S22.6Very low33.9Very low102 Ų102145.4 Ų145.471%0.71383%0.833SS**  50.696.17678.10000113.8
309D29.5Very low34.2Very low158 Ų158147.8 Ų147.885%0.84583%0.834SS**  -171.7128.9119.5-97-15.8000111.1D311D309-D311 PolarHBondContact O-N 2.76Å
310D28.9Very low34.6Very low161 Ų161150.8 Ų150.886%0.86184%0.839SS**  trans-55.1113.3164.7-65.1-55.5000110.7
311D34.3Very low34.9Very low147 Ų147152.3 Ų152.379%0.78684%0.841SS**  trans-172.7159.9132.6-139.1-21.4000112D309D309-D311 PolarHBondContact O-N 2.76Å
312M47.8Very low35.2Very low172 Ų172153.2 Ų153.285%0.84784%0.842SS**  trans10166.8178.6-53.1-59.4169.400113.9
313G41.7Very low35.7Very low68 Ų68151.1 Ų151.170%0.70184%0.839SS**  trans-45.8137.9171.400000115.8
314F37.6Very low36.4Very low221 Ų221152.4 Ų152.497%0.96984%0.842SS**  trans-8.8121.1141.2-70-93.9000115.9
315G43.6Very low36.9Very low67 Ų67154.6 Ų154.669%0.69185%0.846SS**  trans-168.680.3164.900000112
316L55.9Low38.3Very low156 Ų156158.2 Ų158.282%0.81785%0.853SS**SBendtrans-149.325.6158.8-134.4111.7000114.3
317F54.6Low39.6Very low213 Ų213156.3 Ų156.393%0.93485%0.854SS**  trans-144.337.7167.6-73.7-69.2000113.2
318D54.4Low41Very low237 Ų237154.7 Ų154.7100%1.26786%0.857SS**  trans-138.90154.6-145.211.6000109

Retrieved 318 of 318 residues in 89.3 ms (Link to these results)

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