A0A077YV30_TRITR Loading...

ubiquitinyl hydrolase 1

AlphaFold DB , UniProt , Accession A0A077YV30, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 353 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
1M62.5Low74.7Confident242 Ų242118.7 Ų118.7100%1.19261%0.606SS**  0110.90-80.716564.700106.8D3M1-D3 PolarHBondContact O-N 2.87Å
2I65.2Low75.3Confident135 Ų135112.5 Ų112.569%0.69259%0.593SS**  trans-68.7117.7166.3-63.5169.2000104.6H4 I7I2-H4 PolarHBondContact O-N 3.45Å; I2-I7 HydrophobicContact CG2-CD1 4Å; I2-I7 HydrophobicContact CG2-CG1 4.06Å
3D72Confident76Confident105 Ų105111.9 Ų111.956%0.56159%0.589SS**  trans-61.7118.9-179.6-161.5-30.8000107.8M1 S5 Y6M1-D3 PolarHBondContact O-N 2.87Å; D3-S5 PolarHBondContact O-N 3.12Å; D3-S5 WeakPolarHBondContact OD1-CB 3.4Å; D3-S5 PolarHBondContact OD1-N 2.87Å; D3-S5 PolarHBondContact OD1-OG 3.08Å; D3-Y6 WeakPolarHBondContact O-CB 3.37Å; D3-Y6 PolarHBondContact O-N 3.35Å
4H74.2Confident76.8Confident139 Ų139107.6 Ų107.664%0.64457%0.573SS**Hα-helixtrans-50.6-31-179.6-98.2-87.7000111.3I2 Y6 I7 F8I2-H4 PolarHBondContact O-N 3.45Å; H4-Y6 VanDerWaalsContact C-N 3.31Å; H4-Y6 PolarHBondContact O-N 3.49Å; H4-I7 PolarHBondContact O-N 3.15Å; H4-F8 WeakPolarHBondContact O-CD2 3.36Å; H4-F8 PolarHBondContact O-N 3.41Å
5S76.6Confident77.5Confident69 Ų69104 Ų10448%0.48356%0.564SS.*Hα-helixtrans-56.2-39.6176.1-43.90000113.2D3 F8 I9D3-S5 PolarHBondContact O-N 3.12Å; D3-S5 WeakPolarHBondContact OD1-CB 3.4Å; D3-S5 PolarHBondContact OD1-N 2.87Å; D3-S5 PolarHBondContact OD1-OG 3.08Å; S5-F8 PolarHBondContact O-N 3.2Å; S5-I9 WeakPolarHBondContact O-CG1 3.5Å; S5-I9 PolarHBondContact O-N 3.01Å
6Y78.9Confident78.3Confident157 Ų157100.9 Ų100.962%0.61656%0.557SS**Hα-helixtrans-67.7-39.4-178.9-176.3-100.7000112.1D3 H4 F8 I9 V10D3-Y6 WeakPolarHBondContact O-CB 3.37Å; D3-Y6 PolarHBondContact O-N 3.35Å; H4-Y6 VanDerWaalsContact C-N 3.31Å; H4-Y6 PolarHBondContact O-N 3.49Å; Y6-F8 VanDerWaalsContact C-N 3.34Å; Y6-F8 PolarHBondContact O-N 3.3Å; Y6-I9 PolarHBondContact O-N 3.42Å; Y6-V10 HydrophobicContact CD1-CG2 4.02Å; Y6-V10 HydrophobicContact CD2-CG2 4.4Å; Y6-V10 HydrophobicContact CE1-CG2 3.59Å; Y6-V10 HydrophobicContact CE2-CG2 4Å; Y6-V10 HydrophobicContact CG-CG2 4.41Å; Y6-V10 WeakPolarHBondContact O-CG2 3.41Å; Y6-V10 PolarHBondContact O-N 3.1Å
7I76.2Confident79Confident96 Ų9699.3 Ų99.349%0.49255%0.554SS.*Hα-helixtrans-63.7-40.9178.9-62.2172.4000110.5I2 H4 G11I2-I7 HydrophobicContact CG2-CD1 4Å; I2-I7 HydrophobicContact CG2-CG1 4.06Å; H4-I7 PolarHBondContact O-N 3.15Å; I7-G11 PolarHBondContact O-N 3.48Å
8F78.8Confident79.7Confident156 Ų156101.8 Ų101.868%0.68456%0.559SS**Hα-helixtrans-65.7-40.2176.3-73.7-70.8000112.7H4 S5 Y6 G12H4-F8 WeakPolarHBondContact O-CD2 3.36Å; H4-F8 PolarHBondContact O-N 3.41Å; S5-F8 PolarHBondContact O-N 3.2Å; Y6-F8 VanDerWaalsContact C-N 3.34Å; Y6-F8 PolarHBondContact O-N 3.3Å; F8-G12 PolarHBondContact O-N 3.31Å
9I80.6Confident80.3Confident106 Ų106103.4 Ų103.454%0.54456%0.564SS.*Hα-helixtrans-66.6-48.5178.8-66.3166.8000110.7S5 Y6 G11 G12 I13S5-I9 WeakPolarHBondContact O-CG1 3.5Å; S5-I9 PolarHBondContact O-N 3.01Å; Y6-I9 PolarHBondContact O-N 3.42Å; I9-G11 VanDerWaalsContact C-N 3.34Å; I9-G11 PolarHBondContact O-N 2.96Å; I9-G12 PolarHBondContact O-N 3.29Å; I9-I13 HydrophobicContact CG2-CD1 3.85Å; I9-I13 HydrophobicContact CG2-CG1 4.49Å; I9-I13 WeakPolarHBondContact O-CG1 3.36Å; I9-I13 PolarHBondContact O-N 3.48Å
10V79Confident80.8Confident67 Ų67103.5 Ų103.541%0.40657%0.567SS.*Hα-helixtrans-63.1-42.2178.31760000110.9Y6 G12 I13 S14Y6-V10 HydrophobicContact CD1-CG2 4.02Å; Y6-V10 HydrophobicContact CD2-CG2 4.4Å; Y6-V10 HydrophobicContact CE1-CG2 3.59Å; Y6-V10 HydrophobicContact CE2-CG2 4Å; Y6-V10 HydrophobicContact CG-CG2 4.41Å; Y6-V10 WeakPolarHBondContact O-CG2 3.41Å; Y6-V10 PolarHBondContact O-N 3.1Å; V10-G12 PolarHBondContact O-N 3.12Å; V10-I13 PolarHBondContact O-N 2.93Å; V10-S14 WeakPolarHBondContact O-CB 3.49Å; V10-S14 PolarHBondContact O-N 3.44Å; V10-S14 PolarHBondContact O-OG 2.71Å
11G78.4Confident81.4Confident34 Ų34102.8 Ų102.835%0.35156%0.562SS.*Hα-helixtrans-58.3-46.5173.300000112.3I7 I9 S14 A15I7-G11 PolarHBondContact O-N 3.48Å; I9-G11 VanDerWaalsContact C-N 3.34Å; I9-G11 PolarHBondContact O-N 2.96Å; G11-S14 PolarHBondContact O-N 3.48Å; G11-S14 PolarHBondContact O-OG 3.29Å; G11-A15 WeakPolarHBondContact O-CB 3.48Å; G11-A15 PolarHBondContact O-N 2.99Å
12G81.6Confident82.7Confident44 Ų4494 Ų9445%0.45453%0.528SS..Hα-helixtrans-62.7-44.9177.800000113.7F8 I9 V10 A15 A16F8-G12 PolarHBondContact O-N 3.31Å; I9-G12 PolarHBondContact O-N 3.29Å; V10-G12 PolarHBondContact O-N 3.12Å; G12-A15 PolarHBondContact O-N 3.23Å; G12-A16 WeakPolarHBondContact O-CB 3.47Å; G12-A16 PolarHBondContact O-N 3.14Å
13I84.4Confident83.8Confident105 Ų10591.4 Ų91.454%0.53852%0.518SS..Hα-helixtrans-62.1-45.4176.4-66.6167.6000110.1I9 V10 A15 A16 S17I9-I13 HydrophobicContact CG2-CD1 3.85Å; I9-I13 HydrophobicContact CG2-CG1 4.49Å; I9-I13 WeakPolarHBondContact O-CG1 3.36Å; I9-I13 PolarHBondContact O-N 3.48Å; V10-I13 PolarHBondContact O-N 2.93Å; I13-A15 PolarHBondContact O-N 2.83Å; I13-A16 PolarHBondContact O-N 3.42Å; I13-S17 PolarHBondContact O-N 2.91Å; I13-S17 PolarHBondContact O-OG 3.29Å
14S86.7Confident84.5Confident52 Ų5293.2 Ų93.236%0.36452%0.518SS..Hα-helixtrans-61.6-45.6178.8720000111.9V10 G11 A16 S17 F18V10-S14 WeakPolarHBondContact O-CB 3.49Å; V10-S14 PolarHBondContact O-N 3.44Å; V10-S14 PolarHBondContact O-OG 2.71Å; G11-S14 PolarHBondContact O-N 3.48Å; G11-S14 PolarHBondContact O-OG 3.29Å; S14-A16 PolarHBondContact O-N 3.26Å; S14-S17 PolarHBondContact O-N 3.07Å; S14-F18 WeakPolarHBondContact O-CD2 3.37Å; S14-F18 PolarHBondContact O-N 2.98Å
15A88.1Confident85Confident53 Ų5391.9 Ų91.944%0.43851%0.511SS..Hα-helixtrans-62.2-41.917800000112G11 G12 I13 F18 M19G11-A15 WeakPolarHBondContact O-CB 3.48Å; G11-A15 PolarHBondContact O-N 2.99Å; G12-A15 PolarHBondContact O-N 3.23Å; I13-A15 PolarHBondContact O-N 2.83Å; A15-F18 PolarHBondContact O-N 2.99Å; A15-M19 WeakPolarHBondContact O-CB 3.33Å; A15-M19 VanDerWaalsContact O-CG 3.23Å; A15-M19 WeakPolarHBondContact O-CG 3.46Å; A15-M19 PolarHBondContact O-N 3Å
16A89.8Confident85.2Confident55 Ų5595.9 Ų95.946%0.45552%0.517SS..Hα-helixtrans-63.2-43.8175.300000111.8G12 I13 S14 M19 V20G12-A16 WeakPolarHBondContact O-CB 3.47Å; G12-A16 PolarHBondContact O-N 3.14Å; I13-A16 PolarHBondContact O-N 3.42Å; S14-A16 PolarHBondContact O-N 3.26Å; A16-M19 PolarHBondContact O-N 3.39Å; A16-V20 WeakPolarHBondContact O-CG2 3.36Å; A16-V20 PolarHBondContact O-N 2.96Å
17S90Very high85.2Confident73 Ų7393.2 Ų93.251%0.5151%0.512SS..Hα-helixtrans-62.1-42.9175.5-63.90000112.4I13 S14 V20 L21I13-S17 PolarHBondContact O-N 2.91Å; I13-S17 PolarHBondContact O-OG 3.29Å; S14-S17 PolarHBondContact O-N 3.07Å; S17-V20 PolarHBondContact O-N 3.45Å; S17-L21 WeakPolarHBondContact O-CB 3.42Å; S17-L21 PolarHBondContact O-N 3.44Å
18F91.8Very high85.3Confident145 Ų14590.8 Ų90.864%0.63650%0.5SS*.Hα-helixtrans-62.9-41174.8-81.9-67.7000112.2S14 A15 L21 A22S14-F18 WeakPolarHBondContact O-CD2 3.37Å; S14-F18 PolarHBondContact O-N 2.98Å; A15-F18 PolarHBondContact O-N 2.99Å; F18-L21 PolarHBondContact O-N 3.49Å; F18-A22 VanDerWaalsContact O-CB 3.3Å; F18-A22 WeakPolarHBondContact O-CB 3.44Å; F18-A22 PolarHBondContact O-N 3.27Å
19M90.6Very high85Confident132 Ų13287.7 Ų87.765%0.6549%0.494SS*.Hα-helixtrans-64.2-43.9176.4-73.3-73.8-77.300111.8A15 A16 L21 A22 V23A15-M19 WeakPolarHBondContact O-CB 3.33Å; A15-M19 VanDerWaalsContact O-CG 3.23Å; A15-M19 WeakPolarHBondContact O-CG 3.46Å; A15-M19 PolarHBondContact O-N 3Å; A16-M19 PolarHBondContact O-N 3.39Å; M19-L21 VanDerWaalsContact C-N 3.34Å; M19-L21 PolarHBondContact O-N 3.39Å; M19-A22 PolarHBondContact O-N 3.12Å; M19-V23 WeakPolarHBondContact O-CB 3.48Å; M19-V23 VanDerWaalsContact O-CG2 3.29Å; M19-V23 WeakPolarHBondContact O-CG2 3.47Å; M19-V23 PolarHBondContact O-N 3.37Å
20V91.8Very high84.4Confident104 Ų10487.8 Ų87.863%0.6349%0.491SS*.Hα-helixtrans-61.8-44175.7171.10000110.9A16 S17 V23 Y24A16-V20 WeakPolarHBondContact O-CG2 3.36Å; A16-V20 PolarHBondContact O-N 2.96Å; S17-V20 PolarHBondContact O-N 3.45Å; V20-V23 PolarHBondContact O-N 2.96Å; V20-Y24 WeakPolarHBondContact O-CB 3.44Å; V20-Y24 PolarHBondContact O-N 3.34Å
21L91.9Very high83.8Confident90 Ų9091 Ų9147%0.47150%0.496SS..Hα-helixtrans-63.7-42.9177.7-162.285000111.5S17 F18 M19 Y24 F25S17-L21 WeakPolarHBondContact O-CB 3.42Å; S17-L21 PolarHBondContact O-N 3.44Å; F18-L21 PolarHBondContact O-N 3.49Å; M19-L21 VanDerWaalsContact C-N 3.34Å; M19-L21 PolarHBondContact O-N 3.39Å; L21-Y24 PolarHBondContact O-N 3.01Å; L21-F25 HydrophobicContact CD1-CE2 4.09Å; L21-F25 HydrophobicContact CD2-CD2 4.25Å; L21-F25 HydrophobicContact CD2-CE2 3.71Å; L21-F25 HydrophobicContact CG-CD2 3.84Å; L21-F25 HydrophobicContact CG-CE2 3.55Å; L21-F25 WeakPolarHBondContact O-CD2 3.45Å; L21-F25 PolarHBondContact O-N 2.95Å
22A89.8Confident83.3Confident58 Ų5893.6 Ų93.648%0.47950%0.502SS..Hα-helixtrans-64.7-42.3177.500000112F18 M19 F25 Y26F18-A22 VanDerWaalsContact O-CB 3.3Å; F18-A22 WeakPolarHBondContact O-CB 3.44Å; F18-A22 PolarHBondContact O-N 3.27Å; M19-A22 PolarHBondContact O-N 3.12Å; A22-F25 PolarHBondContact O-N 3.32Å; A22-Y26 VanDerWaalsContact O-CB 3.28Å; A22-Y26 WeakPolarHBondContact O-CB 3.5Å; A22-Y26 PolarHBondContact O-N 3.43Å
23V88.7Confident82.6Confident79 Ų7998 Ų9848%0.47951%0.506SS..Hα-helixtrans-64.3-42.3174.2171.50000110.7M19 V20 Y26 L27M19-V23 WeakPolarHBondContact O-CB 3.48Å; M19-V23 VanDerWaalsContact O-CG2 3.29Å; M19-V23 WeakPolarHBondContact O-CG2 3.47Å; M19-V23 PolarHBondContact O-N 3.37Å; V20-V23 PolarHBondContact O-N 2.96Å; V23-Y26 PolarHBondContact O-N 3.32Å; V23-L27 HydrophobicContact CG1-CD1 3.84Å; V23-L27 HydrophobicContact CG1-CG 4.23Å; V23-L27 WeakPolarHBondContact O-CB 3.21Å; V23-L27 VanDerWaalsContact O-CG 3.27Å; V23-L27 WeakPolarHBondContact O-CG 3.43Å; V23-L27 PolarHBondContact O-N 3.23Å
24Y87.5Confident81.8Confident143 Ų14394.1 Ų94.156%0.56149%0.486SS*.Hα-helixtrans-59.4-50.6175.6176.3-95.7000111.4V20 L21 Y26 L27 D28V20-Y24 WeakPolarHBondContact O-CB 3.44Å; V20-Y24 PolarHBondContact O-N 3.34Å; L21-Y24 PolarHBondContact O-N 3.01Å; Y24-Y26 VanDerWaalsContact C-N 3.34Å; Y24-Y26 PolarHBondContact O-N 3.42Å; Y24-L27 PolarHBondContact O-N 3.2Å; Y24-D28 VanDerWaalsContact O-CB 3.31Å; Y24-D28 WeakPolarHBondContact O-CB 3.49Å; Y24-D28 PolarHBondContact O-N 3.42Å
25F84.7Confident81.1Confident112 Ų11293.7 Ų93.749%0.49148%0.476SS..Hα-helixtrans-63.1-38.5177.3-79.6-60.3000112.6L21 A22 T29L21-F25 HydrophobicContact CD1-CE2 4.09Å; L21-F25 HydrophobicContact CD2-CD2 4.25Å; L21-F25 HydrophobicContact CD2-CE2 3.71Å; L21-F25 HydrophobicContact CG-CD2 3.84Å; L21-F25 HydrophobicContact CG-CE2 3.55Å; L21-F25 WeakPolarHBondContact O-CD2 3.45Å; L21-F25 PolarHBondContact O-N 2.95Å; A22-F25 PolarHBondContact O-N 3.32Å; F25-T29 VanDerWaalsContact O-CB 3.23Å; F25-T29 WeakPolarHBondContact O-CB 3.42Å; F25-T29 PolarHBondContact O-N 3.09Å; F25-T29 PolarHBondContact O-OG1 3.28Å
26Y79.6Confident80.7Confident153 Ų15393.2 Ų93.260%0.647%0.466SS*.Hα-helixtrans-63.7-46.1175.7175.9-101.8000111.8A22 V23 Y24 K30A22-Y26 VanDerWaalsContact O-CB 3.28Å; A22-Y26 WeakPolarHBondContact O-CB 3.5Å; A22-Y26 PolarHBondContact O-N 3.43Å; V23-Y26 PolarHBondContact O-N 3.32Å; Y24-Y26 VanDerWaalsContact C-N 3.34Å; Y24-Y26 PolarHBondContact O-N 3.42Å; Y26-K30 VanDerWaalsContact O-CB 3.29Å; Y26-K30 WeakPolarHBondContact O-CB 3.44Å; Y26-K30 PolarHBondContact O-N 3.19Å
27L80.2Confident80.8Confident101 Ų10190.8 Ų90.853%0.52945%0.446SS..Hα-helixtrans-67.1-40.8177.8-69.9176.5000111.8V23 Y24 K30 R31V23-L27 HydrophobicContact CG1-CD1 3.84Å; V23-L27 HydrophobicContact CG1-CG 4.23Å; V23-L27 WeakPolarHBondContact O-CB 3.21Å; V23-L27 VanDerWaalsContact O-CG 3.27Å; V23-L27 WeakPolarHBondContact O-CG 3.43Å; V23-L27 PolarHBondContact O-N 3.23Å; Y24-L27 PolarHBondContact O-N 3.2Å; L27-K30 PolarHBondContact O-N 3.5Å; L27-R31 WeakPolarHBondContact O-CB 3.39Å; L27-R31 PolarHBondContact O-N 3.2Å
28D77.6Confident80.9Confident44 Ų4487.5 Ų87.524%0.23542%0.423CS..Hα-helixtrans-66.7-42.8177.3-169.159.9000111.4Y24 K30 R31 N32Y24-D28 VanDerWaalsContact O-CB 3.31Å; Y24-D28 WeakPolarHBondContact O-CB 3.49Å; Y24-D28 PolarHBondContact O-N 3.42Å; D28-K30 PolarHBondContact O-N 3.05Å; D28-R31 WeakPolarHBondContact O-CB 3.45Å; D28-R31 PolarHBondContact O-N 3.19Å; D28-N32 WeakPolarHBondContact O-CB 3.2Å; D28-N32 VanDerWaalsContact O-CG 3.29Å; D28-N32 PolarHBondContact O-N 2.88Å; D28-N32 PolarHBondContact O-ND2 2.75Å; D28-N32 PolarHBondContact OD2-ND2 3.43Å
29T73Confident81.1Confident91 Ų9180.8 Ų80.856%0.55839%0.394SS*.Hα-helixtrans-60.8-46.5174-55.30000110.7F25 R31 N32 Y33F25-T29 VanDerWaalsContact O-CB 3.23Å; F25-T29 WeakPolarHBondContact O-CB 3.42Å; F25-T29 PolarHBondContact O-N 3.09Å; F25-T29 PolarHBondContact O-OG1 3.28Å; T29-R31 VanDerWaalsContact C-N 3.3Å; T29-R31 PolarHBondContact O-N 3.36Å; T29-N32 PolarHBondContact O-N 3.36Å; T29-Y33 VanDerWaalsContact O-CB 3.29Å; T29-Y33 WeakPolarHBondContact O-CB 3.26Å; T29-Y33 PolarHBondContact O-N 3.35Å
30K67.5Low81.3Confident109 Ų10974.5 Ų74.547%0.47436%0.363SS..Hα-helixtrans-63-38.8176.7-172.7176-179.2179.80111.4Y26 L27 D28 Y33 I34Y26-K30 VanDerWaalsContact O-CB 3.29Å; Y26-K30 WeakPolarHBondContact O-CB 3.44Å; Y26-K30 PolarHBondContact O-N 3.19Å; L27-K30 PolarHBondContact O-N 3.5Å; D28-K30 PolarHBondContact O-N 3.05Å; K30-Y33 PolarHBondContact O-N 2.63Å; K30-I34 HydrophobicContact CG-CD1 3.99Å; K30-I34 WeakPolarHBondContact O-CD1 3.31Å; K30-I34 WeakPolarHBondContact O-CG1 3.38Å; K30-I34 PolarHBondContact O-N 3.42Å
31R66.5Low81.5Confident134 Ų13474.8 Ų74.851%0.50636%0.358SS..Hα-helixtrans-64.4-51.1178.1-165.8174.282.7162.25110.6L27 D28 T29 Y33 I34 Y35L27-R31 WeakPolarHBondContact O-CB 3.39Å; L27-R31 PolarHBondContact O-N 3.2Å; D28-R31 WeakPolarHBondContact O-CB 3.45Å; D28-R31 PolarHBondContact O-N 3.19Å; T29-R31 VanDerWaalsContact C-N 3.3Å; T29-R31 PolarHBondContact O-N 3.36Å; R31-Y33 VanDerWaalsContact C-N 3.29Å; R31-Y33 PolarHBondContact O-N 3.44Å; R31-I34 PolarHBondContact O-N 2.93Å; R31-Y35 HydrophobicContact CG-CD2 3.94Å; R31-Y35 HydrophobicContact CG-CE2 3.45Å; R31-Y35 VanDerWaalsContact CG-CE2 3.45Å; R31-Y35 WeakPolarHBondContact O-CD2 3.24Å; R31-Y35 PolarHBondContact O-N 2.95Å
32N68.2Low81.4Confident89 Ų8972.8 Ų72.848%0.47635%0.347SS..Hα-helixtrans-61.6-39178.3-66.4-29.8000111.5D28 T29 Y35 D36D28-N32 WeakPolarHBondContact O-CB 3.2Å; D28-N32 VanDerWaalsContact O-CG 3.29Å; D28-N32 PolarHBondContact O-N 2.88Å; D28-N32 PolarHBondContact O-ND2 2.75Å; D28-N32 PolarHBondContact OD2-ND2 3.43Å; T29-N32 PolarHBondContact O-N 3.36Å; N32-Y35 PolarHBondContact O-N 2.75Å; N32-D36 PolarHBondContact O-N 3.24Å
33Y67.2Low81.2Confident137 Ų13772.7 Ų72.754%0.53734%0.338SS..Hα-helixtrans-61.8-43.4175.4-178.4-107.1000112.9T29 K30 R31 Y35 D36 I300T29-Y33 VanDerWaalsContact O-CB 3.29Å; T29-Y33 WeakPolarHBondContact O-CB 3.26Å; T29-Y33 PolarHBondContact O-N 3.35Å; K30-Y33 PolarHBondContact O-N 2.63Å; R31-Y33 VanDerWaalsContact C-N 3.29Å; R31-Y33 PolarHBondContact O-N 3.44Å; Y33-Y35 PolarHBondContact O-N 3Å; Y33-D36 WeakPolarHBondContact O-CB 3.31Å; Y33-D36 PolarHBondContact O-N 2.98Å; Y33-I300 HydrophobicContact CD1-CD1 3.79Å; Y33-I300 HydrophobicContact CD2-CD1 4.17Å; Y33-I300 HydrophobicContact CE1-CD1 3.45Å; Y33-I300 VanDerWaalsContact CE1-CD1 3.45Å; Y33-I300 HydrophobicContact CE1-CG1 4.5Å; Y33-I300 HydrophobicContact CE1-CG2 4.17Å; Y33-I300 HydrophobicContact CE2-CD1 3.86Å; Y33-I300 HydrophobicContact CG-CD1 4.14Å; Y33-I300 VanDerWaalsContact CZ-CD1 3.49Å; Y33-I300 WeakPolarHBondContact O-CD1 3.47Å
34I67.5Low80.9Confident23 Ų2371 Ų7112%0.11834%0.336CS..Hα-helixtrans-62.3-30.3179.8-72.1163.9000112.3K30 R31 D301 Y304K30-I34 HydrophobicContact CG-CD1 3.99Å; K30-I34 WeakPolarHBondContact O-CD1 3.31Å; K30-I34 WeakPolarHBondContact O-CG1 3.38Å; K30-I34 PolarHBondContact O-N 3.42Å; R31-I34 PolarHBondContact O-N 2.93Å; I34-D301 HydrophobicContact CG2-CB 4.37Å; I34-Y304 HydrophobicContact CD1-CE2 4.29Å; I34-Y304 HydrophobicContact CG2-CD2 3.32Å; I34-Y304 HydrophobicContact CG2-CE2 3.82Å; I34-Y304 HydrophobicContact CG2-CG 3.87Å
35Y71Confident80.7Confident43 Ų4365 Ų6517%0.16932%0.316CS..THydrogen-bonded Turntrans-99.111.3-177.2-59.5-62.7000113.8R31 N32 Y33 V37 Y304 V306 P315R31-Y35 HydrophobicContact CG-CD2 3.94Å; R31-Y35 HydrophobicContact CG-CE2 3.45Å; R31-Y35 VanDerWaalsContact CG-CE2 3.45Å; R31-Y35 WeakPolarHBondContact O-CD2 3.24Å; R31-Y35 PolarHBondContact O-N 2.95Å; N32-Y35 PolarHBondContact O-N 2.75Å; Y33-Y35 PolarHBondContact O-N 3Å; Y35-V37 PolarHBondContact O-N 2.85Å; Y35-Y304 HydrophobicContact CE1-CD1 4.25Å; Y35-Y304 HydrophobicContact CE1-CG 4.14Å; Y35-Y304 WeakPolarHBondContact OH-CD1 3.17Å; Y35-V306 HydrophobicContact CD1-CG1 3.47Å; Y35-V306 VanDerWaalsContact CD1-CG1 3.47Å; Y35-V306 HydrophobicContact CE1-CG1 4.43Å; Y35-V306 HydrophobicContact CG-CG1 4.1Å; Y35-P315 HydrophobicContact CD1-CB 4.05Å; Y35-P315 HydrophobicContact CD2-CB 3.92Å; Y35-P315 HydrophobicContact CD2-CG 4.47Å; Y35-P315 HydrophobicContact CE1-CB 3.67Å; Y35-P315 HydrophobicContact CE2-CB 3.62Å; Y35-P315 HydrophobicContact CE2-CG 4.33Å; Y35-P315 HydrophobicContact CG-CB 4.16Å
36D80.3Confident81Confident43 Ų4360.2 Ų60.223%0.2330%0.296CS..  trans-75.473.9-173.8-16732000112.3N32 Y33 S91N32-D36 PolarHBondContact O-N 3.24Å; Y33-D36 WeakPolarHBondContact O-CB 3.31Å; Y33-D36 PolarHBondContact O-N 2.98Å; D36-S91 WeakPolarHBondContact OD2-CA 3.45Å; D36-S91 VanDerWaalsContact OD2-CB 3.25Å; D36-S91 WeakPolarHBondContact OD2-CB 3.47Å; D36-S91 PolarHBondContact OD2-OG 2.89Å
37V91Very high81.6Confident4 Ų453.6 Ų53.62%0.02427%0.272CS..PPolyproline II helixtrans-98.2131166.6171.20000108.2Y35 G39 I299 V306 L308 V313Y35-V37 PolarHBondContact O-N 2.85Å; V37-G39 PolarHBondContact O-N 3.32Å; V37-I299 HydrophobicContact CB-CD1 4.29Å; V37-I299 HydrophobicContact CG2-CD1 3.72Å; V37-I299 HydrophobicContact CG2-CG1 3.91Å; V37-V306 HydrophobicContact CB-CG2 4.37Å; V37-V306 HydrophobicContact CG2-CG2 3.88Å; V37-L308 HydrophobicContact CB-CD2 4.07Å; V37-L308 HydrophobicContact CG1-CD1 4.18Å; V37-L308 HydrophobicContact CG1-CD2 3.49Å; V37-L308 VanDerWaalsContact CG1-CD2 3.49Å; V37-L308 HydrophobicContact CG1-CG 4.46Å; V37-V313 HydrophobicContact CB-CG1 4.38Å; V37-V313 VanDerWaalsContact O-CG2 3.3Å; V37-V313 WeakPolarHBondContact O-CG2 3.33Å
38P93.4Very high82.2Confident3 Ų349 Ų492%0.01925%0.248CC..PPolyproline II helixtrans-62.8131.3173-26.137.2000112.6Q54 L88 E90 E94 L96P38-Q54 PolarHBondContact O-NE2 3.43Å; P38-L88 HydrophobicContact CB-CD2 4.39Å; P38-L88 WeakPolarHBondContact O-CD2 3.48Å; P38-E90 WeakPolarHBondContact CD-O 3.31Å; P38-E90 WeakPolarHBondContact CG-O 3.2Å; P38-E94 WeakPolarHBondContact CB-O 3.25Å; P38-L96 HydrophobicContact CB-CD1 3.79Å; P38-L96 HydrophobicContact CB-CG 3.98Å; P38-L96 HydrophobicContact CG-CD1 4.37Å
39G94.3Very high83Confident4 Ų446.9 Ų46.94%0.04124%0.236CC..PPolyproline II helixtrans-76.5166.6168.800000112.2V37 L96 D310V37-G39 PolarHBondContact O-N 3.32Å; G39-L96 PolarHBondContact O-N 3.16Å; G39-D310 CarbonylContact C-O 3.52Å; G39-D310 WeakPolarHBondContact CA-O 3.28Å
40L96.3Very high84.1Confident0 Ų042.7 Ų42.70%021%0.211CC..BIsolated β-bridgetrans-118.4126.9176.9-72.9168.9000111.6N42 N50 L53 Q54 I84 L88 L96 D310 A311L40-N42 PolarHBondContact O-N 2.71Å; L40-N50 HydrophobicContact CB-CB 3.99Å; L40-N50 WeakPolarHBondContact CB-OD1 3.43Å; L40-N50 HydrophobicContact CD1-CB 3.95Å; L40-N50 PolarHBondContact O-ND2 3.1Å; L40-L53 HydrophobicContact CD1-CB 4.1Å; L40-L53 HydrophobicContact CD1-CD1 4.29Å; L40-Q54 HydrophobicContact CD1-CG 4.17Å; L40-I84 HydrophobicContact CD2-CD1 3.88Å; L40-I84 HydrophobicContact CD2-CG1 4.43Å; L40-L88 HydrophobicContact CD1-CD1 4.25Å; L40-L88 HydrophobicContact CD1-CD2 4.24Å; L40-L88 HydrophobicContact CD2-CD2 4.11Å; L40-L88 HydrophobicContact CG-CD2 4Å; L40-L96 CarbonylContact C-O 3.51Å; L40-L96 WeakPolarHBondContact CA-O 3.32Å; L40-L96 HydrophobicContact CD2-CB 3.71Å; L40-D310 PolarHBondContact N-O 3.05Å; L40-D310 CarbonylContact O-C 3.56Å; L40-D310 WeakPolarHBondContact O-CA 3.38Å; L40-D310 WeakPolarHBondContact O-CB 3.22Å; L40-A311 PolarHBondContact O-N 3.47Å
41H94.4Very high85.5Confident111 Ų11137.7 Ų37.751%0.51419%0.189SC..  trans-62133177.2-167.472.1000111.1M43 N50 T95 L96H41-M43 PolarHBondContact O-N 3.1Å; H41-N50 PolarHBondContact O-ND2 2.93Å; H41-T95 HydrophobicContact CB-CG2 4.16Å; H41-L96 PolarHBondContact N-O 2.66Å
42N90.7Very high86.9Confident48 Ų4831.3 Ų31.326%0.25717%0.165SC..  trans-82111.9173.9-165.2-17.2000109.8L40 G44 T46 D310L40-N42 PolarHBondContact O-N 2.71Å; N42-G44 VanDerWaalsContact C-N 3.27Å; N42-G44 PolarHBondContact O-N 2.8Å; N42-G44 VanDerWaalsContact OD1-C 3.24Å; N42-G44 PolarHBondContact OD1-N 3.15Å; N42-G44 PolarHBondContact OD1-O 3.29Å; N42-T46 PolarHBondContact OD1-N 3.02Å; N42-T46 PolarHBondContact OD1-OG1 3.15Å; N42-D310 HydrophobicContact CB-CB 4.01Å; N42-D310 WeakPolarHBondContact CB-OD2 3.17Å; N42-D310 PolarHBondContact ND2-OD2 3.34Å
43M86.3Confident88.3Confident56 Ų5627 Ų2728%0.27614%0.143SC..  trans-93.651.3-178.7-59.5176.4-64.600110.9H41 T46 S97 A98 A99 V102H41-M43 PolarHBondContact O-N 3.1Å; M43-T46 HydrophobicContact CB-CG2 4.01Å; M43-T46 HydrophobicContact CE-CG2 4.22Å; M43-T46 PolarHBondContact N-OG1 2.8Å; M43-S97 PolarHBondContact SD-OG 3.21Å; M43-A98 HydrophobicContact CE-CB 4.15Å; M43-A99 HydrophobicContact CE-CB 4.25Å; M43-A99 HydrophobicContact SD-CB 3.76Å; M43-V102 HydrophobicContact CE-CG2 4.25Å
44G81.8Confident89.8Confident42 Ų4220.7 Ų20.743%0.43312%0.118SC..SBendtrans105.2-100.7-17600000111.7N42 S114N42-G44 VanDerWaalsContact C-N 3.27Å; N42-G44 PolarHBondContact O-N 2.8Å; N42-G44 VanDerWaalsContact OD1-C 3.24Å; N42-G44 PolarHBondContact OD1-N 3.15Å; N42-G44 PolarHBondContact OD1-O 3.29Å; G44-S114 CarbonylContact C-O 3.6Å
45A83.9Confident91.1Very high19 Ų1919.6 Ų19.616%0.15711%0.112CC..SBendtrans-107.83117800000112.7C47 F48 S114A45-C47 VanDerWaalsContact C-N 3.31Å; A45-C47 PolarHBondContact O-N 2.82Å; A45-F48 WeakPolarHBondContact O-CD1 3.28Å; A45-F48 WeakPolarHBondContact O-CE1 3.47Å; A45-S114 WeakPolarHBondContact CB-O 3.34Å; A45-S114 PolarHBondContact N-O 2.81Å
46T89.7Confident92.3Very high10 Ų1018 Ų186%0.06111%0.107CC..THydrogen-bonded Turntrans-89.115.4-171.164.60000114.6N42 M43 F48 V49 N50N42-T46 PolarHBondContact OD1-N 3.02Å; N42-T46 PolarHBondContact OD1-OG1 3.15Å; M43-T46 HydrophobicContact CB-CG2 4.01Å; M43-T46 HydrophobicContact CE-CG2 4.22Å; M43-T46 PolarHBondContact N-OG1 2.8Å; T46-F48 VanDerWaalsContact C-N 3.27Å; T46-F48 PolarHBondContact O-N 3.47Å; T46-V49 WeakPolarHBondContact O-CB 3.37Å; T46-V49 PolarHBondContact O-N 2.87Å; T46-V49 VanDerWaalsContact O-N 3.1Å; T46-N50 PolarHBondContact O-N 3.42Å
47C92.7Very high93.1Very high14 Ų1416 Ų1610%0.09510%0.096CC..Hα-helixtrans-61.1-35.2-178.560.40000112.5A45 V49 N50 A51 H291A45-C47 VanDerWaalsContact C-N 3.31Å; A45-C47 PolarHBondContact O-N 2.82Å; C47-V49 VanDerWaalsContact C-N 3.34Å; C47-V49 PolarHBondContact O-N 2.97Å; C47-N50 PolarHBondContact O-N 3.26Å; C47-A51 VanDerWaalsContact O-CB 3.31Å; C47-A51 WeakPolarHBondContact O-CB 3.33Å; C47-A51 PolarHBondContact O-N 3.01Å; C47-H291 VanDerWaalsContact CB-CE1 3.47Å; C47-H291 WeakPolarHBondContact CB-CE1 2.74Å; C47-H291 WeakPolarHBondContact CB-ND1 3.13Å
48F92.4Very high93.2Very high4 Ų416.3 Ų16.32%0.01810%0.098CC..Hα-helixtrans-62.9-39.5174.868.3-86.2000111.9A45 T46 L52 L112 Q118 V120 L123 F292A45-F48 WeakPolarHBondContact O-CD1 3.28Å; A45-F48 WeakPolarHBondContact O-CE1 3.47Å; T46-F48 VanDerWaalsContact C-N 3.27Å; T46-F48 PolarHBondContact O-N 3.47Å; F48-L52 WeakPolarHBondContact O-CB 3.23Å; F48-L52 PolarHBondContact O-N 3.23Å; F48-L112 HydrophobicContact CE2-CD2 3.95Å; F48-L112 HydrophobicContact CZ-CB 4.49Å; F48-L112 HydrophobicContact CZ-CD1 4.41Å; F48-L112 HydrophobicContact CZ-CD2 3.9Å; F48-L112 HydrophobicContact CZ-CG 4.49Å; F48-Q118 HydrophobicContact CD1-CB 3.9Å; F48-Q118 HydrophobicContact CD2-CB 3.74Å; F48-Q118 HydrophobicContact CE1-CB 3.69Å; F48-Q118 HydrophobicContact CE1-CG 3.88Å; F48-Q118 HydrophobicContact CE2-CB 3.57Å; F48-Q118 HydrophobicContact CE2-CG 4.09Å; F48-Q118 HydrophobicContact CG-CB 3.94Å; F48-Q118 HydrophobicContact CZ-CB 3.56Å; F48-Q118 HydrophobicContact CZ-CG 3.66Å; F48-V120 HydrophobicContact CB-CG2 3.67Å; F48-L123 HydrophobicContact CD2-CB 4.13Å; F48-L123 HydrophobicContact CD2-CD1 4.5Å; F48-L123 HydrophobicContact CD2-CD2 3.54Å; F48-L123 HydrophobicContact CD2-CG 4.24Å; F48-L123 HydrophobicContact CE2-CB 4.42Å; F48-L123 HydrophobicContact CE2-CD1 4.04Å; F48-L123 HydrophobicContact CE2-CD2 3.78Å; F48-L123 HydrophobicContact CE2-CG 4.28Å; F48-F292 HydrophobicContact CB-CD2 3.73Å; F48-F292 HydrophobicContact CB-CE2 3.99Å
49V94.5Very high93.1Very high0 Ų017 Ų170%010%0.103CC..Hα-helixtrans-66-47173.1-173.70000110.5T46 C47 A51 L52 L53 A98 V102 L112 L123T46-V49 WeakPolarHBondContact O-CB 3.37Å; T46-V49 PolarHBondContact O-N 2.87Å; T46-V49 VanDerWaalsContact O-N 3.1Å; C47-V49 VanDerWaalsContact C-N 3.34Å; C47-V49 PolarHBondContact O-N 2.97Å; V49-A51 VanDerWaalsContact C-N 3.33Å; V49-A51 PolarHBondContact O-N 2.84Å; V49-L52 PolarHBondContact O-N 2.93Å; V49-L53 HydrophobicContact CG1-CD1 3.95Å; V49-L53 HydrophobicContact CG1-CG 4.32Å; V49-L53 WeakPolarHBondContact O-CB 3.24Å; V49-L53 VanDerWaalsContact O-CG 3.31Å; V49-L53 WeakPolarHBondContact O-CG 3.13Å; V49-L53 PolarHBondContact O-N 3.13Å; V49-A98 HydrophobicContact CG1-CB 3.9Å; V49-V102 HydrophobicContact CG1-CG2 4.35Å; V49-V102 HydrophobicContact CG2-CG2 4.45Å; V49-L112 HydrophobicContact CG2-CD1 4.11Å; V49-L123 HydrophobicContact CB-CD2 4.11Å; V49-L123 HydrophobicContact CG1-CD2 4.41Å; V49-L123 HydrophobicContact CG2-CD2 3.83Å
50N96Very high92.9Very high4 Ų422.1 Ų22.12%0.02112%0.124CC..Hα-helixtrans-60.7-45.3-178.5-69.2-13.6000111L40 H41 T46 C47 L53 Q54 D310L40-N50 HydrophobicContact CB-CB 3.99Å; L40-N50 WeakPolarHBondContact CB-OD1 3.43Å; L40-N50 HydrophobicContact CD1-CB 3.95Å; L40-N50 PolarHBondContact O-ND2 3.1Å; H41-N50 PolarHBondContact O-ND2 2.93Å; T46-N50 PolarHBondContact O-N 3.42Å; C47-N50 PolarHBondContact O-N 3.26Å; N50-L53 PolarHBondContact O-N 3.37Å; N50-Q54 VanDerWaalsContact O-CG 3.24Å; N50-Q54 WeakPolarHBondContact O-CG 3.36Å; N50-Q54 PolarHBondContact O-N 3.48Å; N50-D310 PolarHBondContact ND2-OD1 2.99Å
51A96.8Very high92.4Very high3 Ų326.3 Ų26.33%0.02515%0.152CC..Hα-helixtrans-63.8-46.1178.100000111.8C47 V49 L53 Q54 G55 I281 F292 T294C47-A51 VanDerWaalsContact O-CB 3.31Å; C47-A51 WeakPolarHBondContact O-CB 3.33Å; C47-A51 PolarHBondContact O-N 3.01Å; V49-A51 VanDerWaalsContact C-N 3.33Å; V49-A51 PolarHBondContact O-N 2.84Å; A51-L53 VanDerWaalsContact C-N 3.34Å; A51-L53 PolarHBondContact O-N 3.38Å; A51-Q54 PolarHBondContact O-N 3.25Å; A51-G55 PolarHBondContact O-N 3.15Å; A51-I281 HydrophobicContact CB-CD1 4.32Å; A51-I281 HydrophobicContact CB-CG2 4.09Å; A51-I281 WeakPolarHBondContact O-CD1 3.22Å; A51-F292 HydrophobicContact CB-CB 3.59Å; A51-T294 WeakPolarHBondContact CA-OG1 3.33Å; A51-T294 WeakPolarHBondContact CB-OG1 3.46Å; A51-T294 PolarHBondContact O-OG1 3.5Å
52L96.6Very high92.2Very high0 Ų022.1 Ų22.10%013%0.132CC..Hα-helixtrans-59.3-45.4177.5-176.358.4000112.1F48 V49 Q54 G55 L56 V120 L123 L124 F127 M328 F330F48-L52 WeakPolarHBondContact O-CB 3.23Å; F48-L52 PolarHBondContact O-N 3.23Å; V49-L52 PolarHBondContact O-N 2.93Å; L52-Q54 PolarHBondContact O-N 3.49Å; L52-G55 PolarHBondContact O-N 3.46Å; L52-L56 HydrophobicContact CD1-CD1 4.26Å; L52-L56 HydrophobicContact CD1-CG 4.25Å; L52-L56 HydrophobicContact CG-CD1 4.02Å; L52-L56 HydrophobicContact CG-CG 4.44Å; L52-L56 WeakPolarHBondContact O-CG 3.27Å; L52-L56 PolarHBondContact O-N 2.97Å; L52-V120 HydrophobicContact CB-CG1 4.21Å; L52-V120 HydrophobicContact CD1-CG1 4.15Å; L52-L123 HydrophobicContact CB-CD2 4.2Å; L52-L123 HydrophobicContact CD2-CB 4.08Å; L52-L123 HydrophobicContact CD2-CD2 3.58Å; L52-L123 HydrophobicContact CD2-CG 3.65Å; L52-L124 HydrophobicContact CD1-CB 4.16Å; L52-L124 HydrophobicContact CD1-CD1 4.19Å; L52-L124 HydrophobicContact CD2-CB 4.22Å; L52-F127 HydrophobicContact CD2-CD1 4.33Å; L52-F127 HydrophobicContact CD2-CD2 3.89Å; L52-F127 HydrophobicContact CD2-CE1 4.28Å; L52-F127 HydrophobicContact CD2-CE2 3.87Å; L52-F127 HydrophobicContact CD2-CG 4.14Å; L52-F127 HydrophobicContact CD2-CZ 4.07Å; L52-F127 HydrophobicContact CG-CE2 4.41Å; L52-M328 HydrophobicContact CD1-SD 4.28Å; L52-F330 HydrophobicContact CD1-CZ 4.11Å
53L97.9Very high92.2Very high0 Ų020.3 Ų20.30%012%0.123CC..Hα-helixtrans-63.7-41179-72.3176000112.3L40 V49 N50 A51 G55 L56 A57 L81 I84 L85 L88 A98 F127L40-L53 HydrophobicContact CD1-CB 4.1Å; L40-L53 HydrophobicContact CD1-CD1 4.29Å; V49-L53 HydrophobicContact CG1-CD1 3.95Å; V49-L53 HydrophobicContact CG1-CG 4.32Å; V49-L53 WeakPolarHBondContact O-CB 3.24Å; V49-L53 VanDerWaalsContact O-CG 3.31Å; V49-L53 WeakPolarHBondContact O-CG 3.13Å; V49-L53 PolarHBondContact O-N 3.13Å; N50-L53 PolarHBondContact O-N 3.37Å; A51-L53 VanDerWaalsContact C-N 3.34Å; A51-L53 PolarHBondContact O-N 3.38Å; L53-G55 VanDerWaalsContact C-N 3.32Å; L53-G55 PolarHBondContact O-N 2.75Å; L53-L56 PolarHBondContact O-N 2.81Å; L53-A57 WeakPolarHBondContact O-CB 3.13Å; L53-A57 PolarHBondContact O-N 2.67Å; L53-L81 HydrophobicContact CD2-CD1 3.59Å; L53-I84 HydrophobicContact CD1-CD1 3.81Å; L53-I84 HydrophobicContact CD1-CG1 4.49Å; L53-I84 HydrophobicContact CD1-CG2 4.45Å; L53-I84 HydrophobicContact CD2-CG2 4.07Å; L53-L85 HydrophobicContact CD2-CD2 4.31Å; L53-L85 WeakPolarHBondContact O-CD2 3.45Å; L53-L88 HydrophobicContact CB-CD1 4.18Å; L53-A98 HydrophobicContact CD1-CB 3.67Å; L53-F127 HydrophobicContact CD2-CE2 3.98Å; L53-F127 HydrophobicContact CD2-CZ 4.44Å
54Q97.4Very high92.4Very high4 Ų419.6 Ų19.62%0.01913%0.13CC..Hα-helixtrans-64.3-38.7176.3-70.5-70.26.800111.8P38 L40 N50 A51 L52 S58 T294 R296 L308P38-Q54 PolarHBondContact O-NE2 3.43Å; L40-Q54 HydrophobicContact CD1-CG 4.17Å; N50-Q54 VanDerWaalsContact O-CG 3.24Å; N50-Q54 WeakPolarHBondContact O-CG 3.36Å; N50-Q54 PolarHBondContact O-N 3.48Å; A51-Q54 PolarHBondContact O-N 3.25Å; L52-Q54 PolarHBondContact O-N 3.49Å; Q54-S58 PolarHBondContact O-N 2.95Å; Q54-T294 HydrophobicContact CB-CG2 3.77Å; Q54-R296 WeakPolarHBondContact O-CD 3.23Å; Q54-R296 PolarHBondContact O-NH1 3.21Å; Q54-R296 VanDerWaalsContact OE1-CZ 3.28Å; Q54-L308 HydrophobicContact CB-CD1 4.05Å; Q54-L308 HydrophobicContact CG-CB 4.22Å; Q54-L308 HydrophobicContact CG-CD1 4.04Å
55G96.6Very high92.6Very high0 Ų019 Ų190%012%0.115CC..Hα-helixtrans-63.4-52.5174.900000112.2A51 L52 L53 A57 S58A51-G55 PolarHBondContact O-N 3.15Å; L52-G55 PolarHBondContact O-N 3.46Å; L53-G55 VanDerWaalsContact C-N 3.32Å; L53-G55 PolarHBondContact O-N 2.75Å; G55-A57 VanDerWaalsContact C-N 3.31Å; G55-A57 PolarHBondContact O-N 2.97Å; G55-S58 VanDerWaalsContact O-CB 3.29Å; G55-S58 WeakPolarHBondContact O-CB 3.34Å; G55-S58 PolarHBondContact O-N 3.31Å
56L95.9Very high92.9Very high10 Ų1018.1 Ų18.15%0.05211%0.107CC..Hα-helixtrans-60.8-39176.8-70.7173.2000112.5L52 L53 S58 C59 F62 L85 F127 F330L52-L56 HydrophobicContact CD1-CD1 4.26Å; L52-L56 HydrophobicContact CD1-CG 4.25Å; L52-L56 HydrophobicContact CG-CD1 4.02Å; L52-L56 HydrophobicContact CG-CG 4.44Å; L52-L56 WeakPolarHBondContact O-CG 3.27Å; L52-L56 PolarHBondContact O-N 2.97Å; L53-L56 PolarHBondContact O-N 2.81Å; L56-S58 PolarHBondContact O-N 3.3Å; L56-C59 PolarHBondContact O-N 3.26Å; L56-C59 VanDerWaalsContact O-N 3.15Å; L56-F62 HydrophobicContact CB-CD1 4.12Å; L56-F62 HydrophobicContact CB-CE1 3.92Å; L56-F62 HydrophobicContact CD1-CE1 4.18Å; L56-F62 HydrophobicContact CD2-CD1 4.15Å; L56-F62 HydrophobicContact CD2-CE1 3.8Å; L56-F62 HydrophobicContact CD2-CZ 4.08Å; L56-F62 HydrophobicContact CG-CE1 4.19Å; L56-L85 HydrophobicContact CB-CD2 4.09Å; L56-F127 HydrophobicContact CD1-CD2 3.94Å; L56-F127 HydrophobicContact CD1-CE2 4.17Å; L56-F330 HydrophobicContact CD2-CE1 3.84Å; L56-F330 HydrophobicContact CG-CE1 4.27Å
57A96.1Very high93Very high0 Ų023.4 Ų23.40%013%0.127CC..Hα-helixtrans-65.9-20.8177.600000112.5L53 G55 C59 V63 L85 L88 N89L53-A57 WeakPolarHBondContact O-CB 3.13Å; L53-A57 PolarHBondContact O-N 2.67Å; G55-A57 VanDerWaalsContact C-N 3.31Å; G55-A57 PolarHBondContact O-N 2.97Å; A57-C59 VanDerWaalsContact C-N 3.29Å; A57-V63 WeakPolarHBondContact O-CG2 3.11Å; A57-L85 HydrophobicContact CB-CD2 3.68Å; A57-L88 HydrophobicContact CB-CB 3.95Å; A57-L88 HydrophobicContact CB-CD1 4.02Å; A57-N89 PolarHBondContact O-ND2 2.83Å; A57-N89 PolarHBondContact O-OD1 3.2Å
58S94.1Very high92.7Very high10 Ų1027.9 Ų27.97%0.0714%0.142CC..THydrogen-bonded Turntrans-76.7-15175.9-159.70000113.7Q54 G55 L56 Q278Q54-S58 PolarHBondContact O-N 2.95Å; G55-S58 VanDerWaalsContact O-CB 3.29Å; G55-S58 WeakPolarHBondContact O-CB 3.34Å; G55-S58 PolarHBondContact O-N 3.31Å; L56-S58 PolarHBondContact O-N 3.3Å; S58-Q278 PolarHBondContact OG-O 2.85Å
59C91.4Very high92.6Very high17 Ų1727.7 Ų27.712%0.11514%0.141CC..  trans-92101.3179.7-64.80000110.3L56 A57 C61 F62 V63L56-C59 PolarHBondContact O-N 3.26Å; L56-C59 VanDerWaalsContact O-N 3.15Å; A57-C59 VanDerWaalsContact C-N 3.29Å; C59-C61 PolarHBondContact O-N 3.08Å; C59-F62 HydrophobicContact CB-CB 3.78Å; C59-F62 WeakPolarHBondContact O-CB 3Å; C59-F62 PolarHBondContact O-N 3.22Å; C59-V63 WeakPolarHBondContact O-CG2 3.27Å; C59-V63 PolarHBondContact O-N 2.81Å
60K88.7Confident92.3Very high113 Ų11330.2 Ų30.249%0.49115%0.154SC..Hα-helixtrans-65.2-40.5-169.8-68.4-175.5170.8-172.60113.3F62 V63 G64 E302 E332K60-F62 VanDerWaalsContact C-N 3.27Å; K60-F62 PolarHBondContact O-N 3.24Å; K60-V63 PolarHBondContact O-N 3.27Å; K60-G64 PolarHBondContact O-N 3.49Å; K60-E302 WeakPolarHBondContact CE-OE1 3.1Å; K60-E302 IonicContact NZ-OE1 3.78Å; K60-E302 PolarHBondContact NZ-OE1 3.18Å; K60-E332 PolarHBondContact N-OE1 2.94Å; K60-E332 PolarHBondContact N-OE2 3.15Å; K60-E332 VanDerWaalsContact N-OE2 3.1Å
61C86.9Confident91.9Very high88 Ų8837.3 Ų37.360%0.59518%0.184SC*.Hα-helixtrans-60-39173.8-720000111.6C59 G64 W65 E332C59-C61 PolarHBondContact O-N 3.08Å; C61-G64 PolarHBondContact O-N 3.38Å; C61-W65 WeakPolarHBondContact O-CB 3.47Å; C61-W65 PolarHBondContact O-N 3.31Å; C61-E332 WeakPolarHBondContact CB-OE1 3.45Å; C61-E332 PolarHBondContact N-OE1 2.98Å; C61-E332 PolarHBondContact SG-OE1 2.88Å
62F89.3Confident91.2Very high22 Ų2239.3 Ų39.310%0.09619%0.192CC..Hα-helixtrans-69.8-41.6177.6-176.8-100.8000111.7L56 C59 K60 G64 W65 T66 L81 L85 W131 P188L56-F62 HydrophobicContact CB-CD1 4.12Å; L56-F62 HydrophobicContact CB-CE1 3.92Å; L56-F62 HydrophobicContact CD1-CE1 4.18Å; L56-F62 HydrophobicContact CD2-CD1 4.15Å; L56-F62 HydrophobicContact CD2-CE1 3.8Å; L56-F62 HydrophobicContact CD2-CZ 4.08Å; L56-F62 HydrophobicContact CG-CE1 4.19Å; C59-F62 HydrophobicContact CB-CB 3.78Å; C59-F62 WeakPolarHBondContact O-CB 3Å; C59-F62 PolarHBondContact O-N 3.22Å; K60-F62 VanDerWaalsContact C-N 3.27Å; K60-F62 PolarHBondContact O-N 3.24Å; F62-G64 VanDerWaalsContact C-N 3.34Å; F62-G64 PolarHBondContact O-N 3.22Å; F62-W65 HydrophobicContact CD2-CE3 4.12Å; F62-W65 AromaticContact CE2-CE3 3.89Å; F62-W65 HydrophobicContact CE2-CE3 3.89Å; F62-W65 AromaticContact CE2-CZ3 3.88Å; F62-W65 HydrophobicContact CE2-CZ3 3.88Å; F62-W65 HydrophobicContact CZ-CE3 4.47Å; F62-W65 HydrophobicContact CZ-CZ3 4.28Å; F62-W65 PolarHBondContact O-N 3.46Å; F62-T66 HydrophobicContact CD1-CG2 4.23Å; F62-T66 HydrophobicContact CE1-CG2 3.8Å; F62-T66 HydrophobicContact CE2-CG2 4.43Å; F62-T66 HydrophobicContact CZ-CG2 3.91Å; F62-T66 WeakPolarHBondContact O-CG2 3.37Å; F62-T66 PolarHBondContact O-N 2.96Å; F62-T66 PolarHBondContact O-OG1 3.36Å; F62-L81 HydrophobicContact CE1-CD2 4.34Å; F62-L81 HydrophobicContact CZ-CD2 4.15Å; F62-L85 HydrophobicContact CD1-CD1 3.94Å; F62-L85 HydrophobicContact CE1-CD1 3.62Å; F62-W131 HydrophobicContact CE2-CH2 4.47Å; F62-W131 HydrophobicContact CZ-CH2 4.3Å; F62-W131 HydrophobicContact CZ-CZ3 4.02Å; F62-P188 HydrophobicContact CD2-CB 3.95Å; F62-P188 HydrophobicContact CD2-CG 3.73Å; F62-P188 HydrophobicContact CE2-CB 4.21Å; F62-P188 HydrophobicContact CE2-CG 3.79Å
63V91.9Very high90.4Very high10 Ų1049.4 Ų49.46%0.06123%0.23CC..Hα-helixtrans-61.1-43.2173.8175.70000110.9A57 C59 K60 T66 Y67 L85 Q86A57-V63 WeakPolarHBondContact O-CG2 3.11Å; C59-V63 WeakPolarHBondContact O-CG2 3.27Å; C59-V63 PolarHBondContact O-N 2.81Å; K60-V63 PolarHBondContact O-N 3.27Å; V63-T66 PolarHBondContact O-N 2.96Å; V63-T66 PolarHBondContact O-OG1 2.97Å; V63-Y67 PolarHBondContact O-N 2.69Å; V63-L85 HydrophobicContact CG2-CB 4.34Å; V63-Q86 VanDerWaalsContact CG1-NE2 3.29Å; V63-Q86 PolarHBondContact O-NE2 3.19Å
64G89.1Confident89.8Confident41 Ų4157.3 Ų57.342%0.42327%0.266SS..Hα-helixtrans-64.5-38.1174.200000113.1K60 C61 F62 Y67K60-G64 PolarHBondContact O-N 3.49Å; C61-G64 PolarHBondContact O-N 3.38Å; F62-G64 VanDerWaalsContact C-N 3.34Å; F62-G64 PolarHBondContact O-N 3.22Å; G64-Y67 WeakPolarHBondContact O-CB 3.35Å
65W87.3Confident89.4Confident30 Ų3057.1 Ų57.111%0.11427%0.266CS..Hα-helixtrans-64.4-47.9174.5174.289000111.8C61 F62 Y67 R68 F69 L78 W131 L135 I186 P188C61-W65 WeakPolarHBondContact O-CB 3.47Å; C61-W65 PolarHBondContact O-N 3.31Å; F62-W65 HydrophobicContact CD2-CE3 4.12Å; F62-W65 AromaticContact CE2-CE3 3.89Å; F62-W65 HydrophobicContact CE2-CE3 3.89Å; F62-W65 AromaticContact CE2-CZ3 3.88Å; F62-W65 HydrophobicContact CE2-CZ3 3.88Å; F62-W65 HydrophobicContact CZ-CE3 4.47Å; F62-W65 HydrophobicContact CZ-CZ3 4.28Å; F62-W65 PolarHBondContact O-N 3.46Å; W65-Y67 VanDerWaalsContact C-N 3.29Å; W65-Y67 PolarHBondContact O-N 3.23Å; W65-R68 WeakPolarHBondContact O-CB 3.25Å; W65-R68 PolarHBondContact O-N 3.18Å; W65-F69 AromaticContact CD2-CE2 4Å; W65-F69 HydrophobicContact CD2-CE2 4Å; W65-F69 AromaticContact CE2-CE2 3.63Å; W65-F69 HydrophobicContact CE3-CE2 4.32Å; W65-F69 AromaticContact CH2-CE2 3.96Å; W65-F69 HydrophobicContact CH2-CE2 3.96Å; W65-F69 AromaticContact CZ2-CE2 3.58Å; W65-F69 HydrophobicContact CZ2-CE2 3.58Å; W65-F69 AromaticContact CZ2-CZ 3.89Å; W65-F69 HydrophobicContact CZ2-CZ 3.89Å; W65-F69 HydrophobicContact CZ3-CE2 4.32Å; W65-F69 WeakPolarHBondContact O-CE2 3.47Å; W65-L78 HydrophobicContact CH2-CD2 3.68Å; W65-L78 HydrophobicContact CZ3-CD2 3.82Å; W65-W131 HydrophobicContact CH2-CG 4.42Å; W65-L135 HydrophobicContact CH2-CD1 4.28Å; W65-L135 HydrophobicContact CZ2-CD1 3.89Å; W65-L135 HydrophobicContact CZ2-CD2 4.19Å; W65-I186 PolarHBondContact NE1-O 2.73Å; W65-P188 HydrophobicContact CD2-CG 3.42Å; W65-P188 VanDerWaalsContact CD2-CG 3.42Å; W65-P188 VanDerWaalsContact CE2-CD 3.44Å; W65-P188 HydrophobicContact CE3-CG 3.48Å; W65-P188 VanDerWaalsContact CE3-CG 3.48Å; W65-P188 HydrophobicContact CG-CG 3.97Å; W65-P188 HydrophobicContact CH2-CG 4Å; W65-P188 HydrophobicContact CZ2-CG 3.95Å; W65-P188 HydrophobicContact CZ3-CG 3.76Å
66T90.1Very high89.2Confident0 Ų060.5 Ų60.50%028%0.283CS..Hα-helixtrans-63.2-34.3178.8540000112.4F62 V63 R68 F69 L81 A82 L85F62-T66 HydrophobicContact CD1-CG2 4.23Å; F62-T66 HydrophobicContact CE1-CG2 3.8Å; F62-T66 HydrophobicContact CE2-CG2 4.43Å; F62-T66 HydrophobicContact CZ-CG2 3.91Å; F62-T66 WeakPolarHBondContact O-CG2 3.37Å; F62-T66 PolarHBondContact O-N 2.96Å; F62-T66 PolarHBondContact O-OG1 3.36Å; V63-T66 PolarHBondContact O-N 2.96Å; V63-T66 PolarHBondContact O-OG1 2.97Å; T66-R68 PolarHBondContact O-N 2.83Å; T66-R68 VanDerWaalsContact O-N 3.09Å; T66-F69 WeakPolarHBondContact O-CD2 3.49Å; T66-F69 PolarHBondContact O-N 3.37Å; T66-L81 HydrophobicContact CG2-CD2 4.08Å; T66-L81 HydrophobicContact CG2-CG 4.31Å; T66-A82 VanDerWaalsContact O-CB 3.22Å; T66-A82 WeakPolarHBondContact O-CB 3.34Å; T66-L85 HydrophobicContact CG2-CD1 3.97Å
67Y91.4Very high89.2Confident122 Ų12260.1 Ų60.148%0.47828%0.281SS..Hα-helixtrans-54.2-31.4177.4-175.1-108000113.6V63 G64 W65 F69 M70 Q86V63-Y67 PolarHBondContact O-N 2.69Å; G64-Y67 WeakPolarHBondContact O-CB 3.35Å; W65-Y67 VanDerWaalsContact C-N 3.29Å; W65-Y67 PolarHBondContact O-N 3.23Å; Y67-F69 PolarHBondContact O-N 2.98Å; Y67-M70 HydrophobicContact CD2-CB 4.49Å; Y67-M70 VanDerWaalsContact O-CB 3.27Å; Y67-M70 WeakPolarHBondContact O-CB 3.47Å; Y67-M70 PolarHBondContact O-N 3.12Å; Y67-Q86 HydrophobicContact CD2-CG 4Å
68R87.5Confident89.1Confident107 Ų10760.1 Ų60.140%0.40428%0.281SS..THydrogen-bonded Turntrans-59.2-21.7177.1-61179.268.4143.2-5.1112.7W65 T66 Y72 E183W65-R68 WeakPolarHBondContact O-CB 3.25Å; W65-R68 PolarHBondContact O-N 3.18Å; T66-R68 PolarHBondContact O-N 2.83Å; T66-R68 VanDerWaalsContact O-N 3.09Å; R68-Y72 VanDerWaalsContact O-CD2 3.27Å; R68-Y72 WeakPolarHBondContact O-CD2 3.48Å; R68-Y72 WeakPolarHBondContact O-CE2 3.2Å; R68-E183 PolarHBondContact NH2-O 2.75Å
69F89.4Confident89.1Confident1 Ų161.8 Ų61.80%0.00429%0.288CS..THydrogen-bonded Turntrans-97.21.8-179.1-52.7-76.2000114.1W65 T66 Y67 F71 Y72 L78 L135 L138 P185W65-F69 AromaticContact CD2-CE2 4Å; W65-F69 HydrophobicContact CD2-CE2 4Å; W65-F69 AromaticContact CE2-CE2 3.63Å; W65-F69 HydrophobicContact CE3-CE2 4.32Å; W65-F69 AromaticContact CH2-CE2 3.96Å; W65-F69 HydrophobicContact CH2-CE2 3.96Å; W65-F69 AromaticContact CZ2-CE2 3.58Å; W65-F69 HydrophobicContact CZ2-CE2 3.58Å; W65-F69 AromaticContact CZ2-CZ 3.89Å; W65-F69 HydrophobicContact CZ2-CZ 3.89Å; W65-F69 HydrophobicContact CZ3-CE2 4.32Å; W65-F69 WeakPolarHBondContact O-CE2 3.47Å; T66-F69 WeakPolarHBondContact O-CD2 3.49Å; T66-F69 PolarHBondContact O-N 3.37Å; Y67-F69 PolarHBondContact O-N 2.98Å; F69-F71 PolarHBondContact O-N 2.99Å; F69-Y72 HydrophobicContact CD1-CD2 4.42Å; F69-Y72 PolarHBondContact O-N 2.88Å; F69-L78 HydrophobicContact CB-CB 3.88Å; F69-L78 HydrophobicContact CD1-CD1 4.03Å; F69-L78 HydrophobicContact CD2-CB 4.44Å; F69-L78 HydrophobicContact CD2-CD1 4.21Å; F69-L78 HydrophobicContact CD2-CD2 4.08Å; F69-L78 HydrophobicContact CE1-CD1 4.21Å; F69-L78 HydrophobicContact CE2-CD1 4.39Å; F69-L78 HydrophobicContact CE2-CD2 4.4Å; F69-L78 HydrophobicContact CG-CB 4.12Å; F69-L78 HydrophobicContact CG-CD1 4.02Å; F69-L78 HydrophobicContact CG-CG 4.48Å; F69-L78 HydrophobicContact CZ-CD1 4.38Å; F69-L135 HydrophobicContact CE1-CD2 3.69Å; F69-L135 HydrophobicContact CE2-CD2 4.46Å; F69-L135 HydrophobicContact CZ-CD2 3.48Å; F69-L135 VanDerWaalsContact CZ-CD2 3.48Å; F69-L138 HydrophobicContact CD1-CD1 4.07Å; F69-L138 HydrophobicContact CE1-CD1 3.89Å; F69-P185 HydrophobicContact CE1-CG 3.89Å; F69-P185 HydrophobicContact CE2-CG 4.47Å; F69-P185 HydrophobicContact CZ-CB 4.01Å; F69-P185 HydrophobicContact CZ-CG 3.47Å; F69-P185 VanDerWaalsContact CZ-CG 3.47Å
70M89Confident89.4Confident52 Ų5261.3 Ų61.326%0.25629%0.285SS..THydrogen-bonded Turntrans-54.7-32-175.7-169.164.9174.800113.4Y67 Q79 A82 E83Y67-M70 HydrophobicContact CD2-CB 4.49Å; Y67-M70 VanDerWaalsContact O-CB 3.27Å; Y67-M70 WeakPolarHBondContact O-CB 3.47Å; Y67-M70 PolarHBondContact O-N 3.12Å; M70-Q79 PolarHBondContact O-NE2 2.86Å; M70-A82 HydrophobicContact SD-CB 4.19Å; M70-E83 HydrophobicContact CE-CB 4.13Å; M70-E83 HydrophobicContact CE-CG 4.18Å; M70-E83 HydrophobicContact SD-CB 4.21Å
71F86.3Confident89.7Confident153 Ų15356 Ų5667%0.67126%0.261SS*.THydrogen-bonded Turntrans-105.95.5-177.8-55.6-69.9000114.2F69 R73F69-F71 PolarHBondContact O-N 2.99Å; F71-R73 PolarHBondContact O-N 3.03Å
72Y83.2Confident90.1Very high45 Ų4551.8 Ų51.818%0.17623%0.233CC..  trans-87.991-179.2-76-96.8000111.5R68 F69 H74 C75 L138 L179R68-Y72 VanDerWaalsContact O-CD2 3.27Å; R68-Y72 WeakPolarHBondContact O-CD2 3.48Å; R68-Y72 WeakPolarHBondContact O-CE2 3.2Å; F69-Y72 HydrophobicContact CD1-CD2 4.42Å; F69-Y72 PolarHBondContact O-N 2.88Å; Y72-H74 PolarHBondContact O-N 3.05Å; Y72-H74 VanDerWaalsContact O-N 3.1Å; Y72-C75 PolarHBondContact O-N 3.28Å; Y72-L138 HydrophobicContact CD1-CD1 4.26Å; Y72-L138 HydrophobicContact CD1-CD2 3.78Å; Y72-L138 HydrophobicContact CE1-CD2 4.25Å; Y72-L179 HydrophobicContact CE1-CD1 4.31Å; Y72-L179 HydrophobicContact CE2-CD1 4.48Å; Y72-L179 WeakPolarHBondContact OH-CD1 3.41Å; Y72-L179 WeakPolarHBondContact OH-CG 3.38Å
73R79.8Confident90.5Very high212 Ų21252.4 Ų52.480%0.824%0.236SC*.THydrogen-bonded Turntrans-59.6-23.4-176.2-73.7-169.1143.3110.61.4115.5F71F71-R73 PolarHBondContact O-N 3.03Å
74H84.7Confident90.7Very high166 Ų16652.5 Ų52.577%0.76924%0.236SC*.THydrogen-bonded Turntrans-83.4-15.6179.7-62.5-63.5000113.1Y72Y72-H74 PolarHBondContact O-N 3.05Å; Y72-H74 VanDerWaalsContact O-N 3.1Å
75C89.5Confident91Very high1 Ų150.5 Ų50.51%0.00722%0.216CC..  trans-104.371180-57.50000109.2Y72 F77 L78 Q79 E134 L138Y72-C75 PolarHBondContact O-N 3.28Å; C75-F77 VanDerWaalsContact C-N 3.27Å; C75-F77 PolarHBondContact O-N 2.68Å; C75-L78 HydrophobicContact CB-CB 4.04Å; C75-L78 HydrophobicContact CB-CD1 4.29Å; C75-L78 PolarHBondContact O-N 3.36Å; C75-Q79 WeakPolarHBondContact O-CB 3.42Å; C75-Q79 PolarHBondContact O-N 3.27Å; C75-E134 VanDerWaalsContact CA-CD 3.49Å; C75-E134 WeakPolarHBondContact CA-OE2 3.42Å; C75-E134 HydrophobicContact CB-CB 4.19Å; C75-E134 HydrophobicContact CB-CG 4.38Å; C75-E134 WeakPolarHBondContact CB-OE2 3.49Å; C75-L138 WeakPolarHBondContact SG-CD1 3.47Å; C75-L138 WeakPolarHBondContact SG-CG 3.4Å
76I92.6Very high91.4Very high71 Ų7151.2 Ų51.236%0.36422%0.221SC..Hα-helixtrans-59.7-40.2-171.2-60.5173.2000111.1S80 A104 E134I76-S80 VanDerWaalsContact O-CB 3.31Å; I76-S80 WeakPolarHBondContact O-CB 3.34Å; I76-S80 PolarHBondContact O-N 2.77Å; I76-S80 PolarHBondContact O-OG 2.75Å; I76-A104 HydrophobicContact CG2-CB 4.05Å; I76-E134 PolarHBondContact N-OE1 3.16Å; I76-E134 VanDerWaalsContact N-OE1 3.15Å
77F95.2Very high91.6Very high1 Ų155 Ų550%0.00424%0.237CC..Hα-helixtrans-71.3-51.5-179.3173.7-104.2000111.3C75 Q79 S80 L81 V101 A104 L105 F127 T130 W131 E134C75-F77 VanDerWaalsContact C-N 3.27Å; C75-F77 PolarHBondContact O-N 2.68Å; F77-Q79 VanDerWaalsContact C-N 3.29Å; F77-Q79 PolarHBondContact O-N 3.45Å; F77-S80 PolarHBondContact O-N 3.18Å; F77-S80 VanDerWaalsContact O-N 3.12Å; F77-L81 HydrophobicContact CE1-CD2 4.3Å; F77-L81 HydrophobicContact CZ-CD2 4.48Å; F77-L81 WeakPolarHBondContact O-CB 3.31Å; F77-L81 PolarHBondContact O-N 3.2Å; F77-V101 HydrophobicContact CD2-CG1 4.36Å; F77-V101 HydrophobicContact CE2-CG1 3.77Å; F77-A104 HydrophobicContact CB-CB 4.14Å; F77-A104 HydrophobicContact CD2-CB 4.2Å; F77-L105 HydrophobicContact CD2-CD2 3.85Å; F77-L105 HydrophobicContact CD2-CG 4.05Å; F77-L105 HydrophobicContact CE2-CD1 4.23Å; F77-L105 HydrophobicContact CE2-CD2 3.59Å; F77-L105 HydrophobicContact CE2-CG 3.83Å; F77-L105 HydrophobicContact CZ-CD2 4.3Å; F77-F127 HydrophobicContact CE1-CB 4.43Å; F77-F127 HydrophobicContact CE2-CD1 4.23Å; F77-F127 HydrophobicContact CE2-CE1 4.28Å; F77-F127 HydrophobicContact CE2-CG 4.38Å; F77-F127 HydrophobicContact CE2-CZ 4.46Å; F77-F127 HydrophobicContact CZ-CB 3.95Å; F77-F127 AromaticContact CZ-CD1 3.85Å; F77-F127 HydrophobicContact CZ-CD1 3.85Å; F77-F127 AromaticContact CZ-CD2 3.79Å; F77-F127 HydrophobicContact CZ-CD2 3.79Å; F77-F127 HydrophobicContact CZ-CE1 4.27Å; F77-F127 HydrophobicContact CZ-CE2 4.21Å; F77-F127 AromaticContact CZ-CG 3.59Å; F77-F127 HydrophobicContact CZ-CG 3.59Å; F77-F127 HydrophobicContact CZ-CZ 4.43Å; F77-T130 HydrophobicContact CB-CG2 3.63Å; F77-T130 HydrophobicContact CD1-CG2 3.34Å; F77-T130 HydrophobicContact CD2-CG2 3.89Å; F77-T130 HydrophobicContact CE1-CG2 3.86Å; F77-T130 HydrophobicContact CE2-CG2 4.37Å; F77-T130 HydrophobicContact CG-CG2 3.33Å; F77-T130 HydrophobicContact CZ-CG2 4.36Å; F77-W131 HydrophobicContact CD1-CB 4.28Å; F77-W131 HydrophobicContact CE1-CB 4.23Å; F77-W131 AromaticContact CE1-CE3 3.9Å; F77-W131 HydrophobicContact CE1-CE3 3.9Å; F77-E134 WeakPolarHBondContact CB-OE1 3.39Å; F77-E134 PolarHBondContact N-OE1 3Å
78L93.8Very high91.8Very high0 Ų049.2 Ų49.20%021%0.214CC..Hα-helixtrans-59.1-39.5176.8-81.5169.4000112.4W65 F69 C75 L81 A82 W131 E134 L135W65-L78 HydrophobicContact CH2-CD2 3.68Å; W65-L78 HydrophobicContact CZ3-CD2 3.82Å; F69-L78 HydrophobicContact CB-CB 3.88Å; F69-L78 HydrophobicContact CD1-CD1 4.03Å; F69-L78 HydrophobicContact CD2-CB 4.44Å; F69-L78 HydrophobicContact CD2-CD1 4.21Å; F69-L78 HydrophobicContact CD2-CD2 4.08Å; F69-L78 HydrophobicContact CE1-CD1 4.21Å; F69-L78 HydrophobicContact CE2-CD1 4.39Å; F69-L78 HydrophobicContact CE2-CD2 4.4Å; F69-L78 HydrophobicContact CG-CB 4.12Å; F69-L78 HydrophobicContact CG-CD1 4.02Å; F69-L78 HydrophobicContact CG-CG 4.48Å; F69-L78 HydrophobicContact CZ-CD1 4.38Å; C75-L78 HydrophobicContact CB-CB 4.04Å; C75-L78 HydrophobicContact CB-CD1 4.29Å; C75-L78 PolarHBondContact O-N 3.36Å; L78-L81 PolarHBondContact O-N 3.1Å; L78-A82 VanDerWaalsContact O-CB 3.28Å; L78-A82 WeakPolarHBondContact O-CB 3.22Å; L78-A82 PolarHBondContact O-N 3.39Å; L78-W131 HydrophobicContact CD1-CB 4.23Å; L78-W131 HydrophobicContact CD2-CB 3.67Å; L78-W131 HydrophobicContact CG-CB 3.86Å; L78-E134 VanDerWaalsContact CB-OE2 3.24Å; L78-E134 WeakPolarHBondContact CB-OE2 3.12Å; L78-E134 HydrophobicContact CD1-CB 3.85Å; L78-E134 VanDerWaalsContact CG-OE2 3.26Å; L78-E134 WeakPolarHBondContact CG-OE2 3.49Å; L78-E134 PolarHBondContact N-OE2 2.6Å; L78-L135 HydrophobicContact CD1-CD2 4.18Å; L78-L135 HydrophobicContact CD1-CG 4.31Å
79Q94.7Very high92.1Very high46 Ų4646.2 Ų46.222%0.21521%0.206CC..Hα-helixtrans-63.8-45.6174.7-179.6176.248.200111.3M70 C75 F77 L81 A82 E83M70-Q79 PolarHBondContact O-NE2 2.86Å; C75-Q79 WeakPolarHBondContact O-CB 3.42Å; C75-Q79 PolarHBondContact O-N 3.27Å; F77-Q79 VanDerWaalsContact C-N 3.29Å; F77-Q79 PolarHBondContact O-N 3.45Å; Q79-L81 VanDerWaalsContact C-N 3.29Å; Q79-L81 PolarHBondContact O-N 3.36Å; Q79-A82 PolarHBondContact O-N 3.04Å; Q79-E83 WeakPolarHBondContact O-CB 3.34Å; Q79-E83 PolarHBondContact O-N 3.16Å
80S96.3Very high92.1Very high7 Ų750.8 Ų50.85%0.04923%0.228CC..Hα-helixtrans-64-37.6178-59.60000111.7I76 F77 I84I76-S80 VanDerWaalsContact O-CB 3.31Å; I76-S80 WeakPolarHBondContact O-CB 3.34Å; I76-S80 PolarHBondContact O-N 2.77Å; I76-S80 PolarHBondContact O-OG 2.75Å; F77-S80 PolarHBondContact O-N 3.18Å; F77-S80 VanDerWaalsContact O-N 3.12Å; S80-I84 WeakPolarHBondContact O-CG2 3.4Å; S80-I84 PolarHBondContact O-N 2.8Å
81L96.5Very high91.7Very high0 Ų050.9 Ų50.90%023%0.233CC..Hα-helixtrans-67.1-48.4175.8-173.762.8000110.7L53 F62 T66 F77 L78 Q79 E83 I84 L85 F127 W131L53-L81 HydrophobicContact CD2-CD1 3.59Å; F62-L81 HydrophobicContact CE1-CD2 4.34Å; F62-L81 HydrophobicContact CZ-CD2 4.15Å; T66-L81 HydrophobicContact CG2-CD2 4.08Å; T66-L81 HydrophobicContact CG2-CG 4.31Å; F77-L81 HydrophobicContact CE1-CD2 4.3Å; F77-L81 HydrophobicContact CZ-CD2 4.48Å; F77-L81 WeakPolarHBondContact O-CB 3.31Å; F77-L81 PolarHBondContact O-N 3.2Å; L78-L81 PolarHBondContact O-N 3.1Å; Q79-L81 VanDerWaalsContact C-N 3.29Å; Q79-L81 PolarHBondContact O-N 3.36Å; L81-E83 VanDerWaalsContact C-N 3.32Å; L81-E83 PolarHBondContact O-N 3.4Å; L81-I84 VanDerWaalsContact O-CG2 3.29Å; L81-I84 WeakPolarHBondContact O-CG2 3.49Å; L81-I84 PolarHBondContact O-N 3Å; L81-L85 HydrophobicContact CD1-CD1 3.82Å; L81-L85 HydrophobicContact CD1-CD2 4.29Å; L81-L85 HydrophobicContact CD1-CG 3.95Å; L81-L85 HydrophobicContact CD2-CD1 4.44Å; L81-L85 HydrophobicContact CG-CD1 3.72Å; L81-L85 HydrophobicContact CG-CG 4.2Å; L81-L85 WeakPolarHBondContact O-CB 3.21Å; L81-L85 WeakPolarHBondContact O-CG 3.27Å; L81-L85 PolarHBondContact O-N 2.94Å; L81-F127 HydrophobicContact CD1-CE2 4.22Å; L81-W131 HydrophobicContact CD2-CE3 4.1Å; L81-W131 HydrophobicContact CD2-CZ3 4.31Å
82A95.6Very high91.4Very high0 Ų046.4 Ų46.40%022%0.219CC..Hα-helixtrans-56.2-47.1176.700000111.5T66 M70 L78 Q79 I84 L85 Q86T66-A82 VanDerWaalsContact O-CB 3.22Å; T66-A82 WeakPolarHBondContact O-CB 3.34Å; M70-A82 HydrophobicContact SD-CB 4.19Å; L78-A82 VanDerWaalsContact O-CB 3.28Å; L78-A82 WeakPolarHBondContact O-CB 3.22Å; L78-A82 PolarHBondContact O-N 3.39Å; Q79-A82 PolarHBondContact O-N 3.04Å; A82-I84 PolarHBondContact O-N 2.98Å; A82-L85 PolarHBondContact O-N 3.45Å; A82-Q86 WeakPolarHBondContact O-CB 3.48Å; A82-Q86 VanDerWaalsContact O-CG 3.22Å; A82-Q86 WeakPolarHBondContact O-CG 3.22Å; A82-Q86 PolarHBondContact O-N 2.81Å
83E95.7Very high91.1Very high35 Ų3547 Ų4716%0.16424%0.239CC..Hα-helixtrans-60.4-48.1-179.3-175.4-174.3164.800112.4M70 Q79 L81 K87 R100M70-E83 HydrophobicContact CE-CB 4.13Å; M70-E83 HydrophobicContact CE-CG 4.18Å; M70-E83 HydrophobicContact SD-CB 4.21Å; Q79-E83 WeakPolarHBondContact O-CB 3.34Å; Q79-E83 PolarHBondContact O-N 3.16Å; L81-E83 VanDerWaalsContact C-N 3.32Å; L81-E83 PolarHBondContact O-N 3.4Å; E83-K87 HydrophobicContact CG-CD 4.26Å; E83-K87 WeakPolarHBondContact O-CG 3.28Å; E83-K87 PolarHBondContact O-N 3.12Å; E83-K87 IonicContact OE1-NZ 3.36Å; E83-K87 PolarHBondContact OE1-NZ 2.84Å; E83-R100 IonicContact OE1-NE 2.8Å; E83-R100 IonicContact OE2-CZ 2.63Å; E83-R100 IonicContact OE2-NE 3.76Å; E83-R100 PolarHBondContact OE2-NE 3.01Å; E83-R100 IonicContact OE2-NH2 3.44Å; E83-R100 PolarHBondContact OE2-NH2 3.12Å
84I96.7Very high91.4Very high12 Ų1243.2 Ų43.26%0.06223%0.23CC..Hα-helixtrans-71-38.7-178.1-167.8155000112L40 L53 S80 L81 A82 Q86 K87 L88 S97 A98 V101L40-I84 HydrophobicContact CD2-CD1 3.88Å; L40-I84 HydrophobicContact CD2-CG1 4.43Å; L53-I84 HydrophobicContact CD1-CD1 3.81Å; L53-I84 HydrophobicContact CD1-CG1 4.49Å; L53-I84 HydrophobicContact CD1-CG2 4.45Å; L53-I84 HydrophobicContact CD2-CG2 4.07Å; S80-I84 WeakPolarHBondContact O-CG2 3.4Å; S80-I84 PolarHBondContact O-N 2.8Å; L81-I84 VanDerWaalsContact O-CG2 3.29Å; L81-I84 WeakPolarHBondContact O-CG2 3.49Å; L81-I84 PolarHBondContact O-N 3Å; A82-I84 PolarHBondContact O-N 2.98Å; I84-Q86 VanDerWaalsContact C-N 3.34Å; I84-Q86 PolarHBondContact O-N 3.49Å; I84-K87 PolarHBondContact O-N 3.41Å; I84-L88 HydrophobicContact CG1-CD1 4.01Å; I84-L88 HydrophobicContact CG1-CG 4.23Å; I84-L88 WeakPolarHBondContact O-CB 3.42Å; I84-L88 WeakPolarHBondContact O-CG 3.37Å; I84-L88 PolarHBondContact O-N 3.46Å; I84-S97 WeakPolarHBondContact CD1-O 3.43Å; I84-A98 HydrophobicContact CD1-CB 4.25Å; I84-V101 HydrophobicContact CG2-CG2 3.83Å
85L96.6Very high91.8Very high0 Ų039 Ų390%022%0.216CC..Hα-helixtrans-68.7-33-179.5-65.4-179.2000112.4L53 L56 A57 F62 V63 T66 L81 A82 N89L53-L85 HydrophobicContact CD2-CD2 4.31Å; L53-L85 WeakPolarHBondContact O-CD2 3.45Å; L56-L85 HydrophobicContact CB-CD2 4.09Å; A57-L85 HydrophobicContact CB-CD2 3.68Å; F62-L85 HydrophobicContact CD1-CD1 3.94Å; F62-L85 HydrophobicContact CE1-CD1 3.62Å; V63-L85 HydrophobicContact CG2-CB 4.34Å; T66-L85 HydrophobicContact CG2-CD1 3.97Å; L81-L85 HydrophobicContact CD1-CD1 3.82Å; L81-L85 HydrophobicContact CD1-CD2 4.29Å; L81-L85 HydrophobicContact CD1-CG 3.95Å; L81-L85 HydrophobicContact CD2-CD1 4.44Å; L81-L85 HydrophobicContact CG-CD1 3.72Å; L81-L85 HydrophobicContact CG-CG 4.2Å; L81-L85 WeakPolarHBondContact O-CB 3.21Å; L81-L85 WeakPolarHBondContact O-CG 3.27Å; L81-L85 PolarHBondContact O-N 2.94Å; A82-L85 PolarHBondContact O-N 3.45Å; L85-N89 PolarHBondContact O-ND2 2.94Å
86Q94.9Very high92.1Very high45 Ų4540.1 Ų40.121%0.2122%0.222CC..Hα-helixtrans-66.5-52.1171.7-69.8-63.8-29.800110.7V63 Y67 A82 I84 L88 N89 E90V63-Q86 VanDerWaalsContact CG1-NE2 3.29Å; V63-Q86 PolarHBondContact O-NE2 3.19Å; Y67-Q86 HydrophobicContact CD2-CG 4Å; A82-Q86 WeakPolarHBondContact O-CB 3.48Å; A82-Q86 VanDerWaalsContact O-CG 3.22Å; A82-Q86 WeakPolarHBondContact O-CG 3.22Å; A82-Q86 PolarHBondContact O-N 2.81Å; I84-Q86 VanDerWaalsContact C-N 3.34Å; I84-Q86 PolarHBondContact O-N 3.49Å; Q86-L88 VanDerWaalsContact C-N 3.28Å; Q86-L88 PolarHBondContact O-N 3.49Å; Q86-N89 CarbonylContact O-C 3.58Å; Q86-N89 WeakPolarHBondContact O-CA 3.29Å; Q86-N89 PolarHBondContact O-N 3.24Å; Q86-E90 PolarHBondContact O-N 3.13Å
87K94.9Very high92.2Very high80 Ų8039.3 Ų39.335%0.34822%0.223SC..Hα-helixtrans-59.7-36.8179.2-70.9174.7174.7175.90112.9E83 I84 N89 E90 L96E83-K87 HydrophobicContact CG-CD 4.26Å; E83-K87 WeakPolarHBondContact O-CG 3.28Å; E83-K87 PolarHBondContact O-N 3.12Å; E83-K87 IonicContact OE1-NZ 3.36Å; E83-K87 PolarHBondContact OE1-NZ 2.84Å; I84-K87 PolarHBondContact O-N 3.41Å; K87-N89 PolarHBondContact O-N 3.29Å; K87-E90 PolarHBondContact O-N 3.45Å; K87-E90 VanDerWaalsContact O-N 3.1Å; K87-L96 HydrophobicContact CB-CD1 3.54Å; K87-L96 HydrophobicContact CB-CD2 4.37Å; K87-L96 HydrophobicContact CD-CD2 4.42Å
88L95.6Very high92.1Very high0 Ų039.2 Ų39.20%022%0.222CC..THydrogen-bonded Turntrans-65.7-14.6174.8-77172.3000113.7P38 L40 L53 A57 I84 Q86 L96 R296 I299P38-L88 HydrophobicContact CB-CD2 4.39Å; P38-L88 WeakPolarHBondContact O-CD2 3.48Å; L40-L88 HydrophobicContact CD1-CD1 4.25Å; L40-L88 HydrophobicContact CD1-CD2 4.24Å; L40-L88 HydrophobicContact CD2-CD2 4.11Å; L40-L88 HydrophobicContact CG-CD2 4Å; L53-L88 HydrophobicContact CB-CD1 4.18Å; A57-L88 HydrophobicContact CB-CB 3.95Å; A57-L88 HydrophobicContact CB-CD1 4.02Å; I84-L88 HydrophobicContact CG1-CD1 4.01Å; I84-L88 HydrophobicContact CG1-CG 4.23Å; I84-L88 WeakPolarHBondContact O-CB 3.42Å; I84-L88 WeakPolarHBondContact O-CG 3.37Å; I84-L88 PolarHBondContact O-N 3.46Å; Q86-L88 VanDerWaalsContact C-N 3.28Å; Q86-L88 PolarHBondContact O-N 3.49Å; L88-L96 HydrophobicContact CD2-CD1 3.99Å; L88-L96 HydrophobicContact CG-CD1 4.13Å; L88-R296 PolarHBondContact O-NH2 3.1Å; L88-I299 WeakPolarHBondContact O-CD1 3.16Å
89N93.9Very high92.1Very high43 Ų4340.8 Ų40.823%0.2324%0.235CC..THydrogen-bonded Turntrans-107.413.6175.3-72.5-51.5000112.6A57 L85 Q86 K87 I299A57-N89 PolarHBondContact O-ND2 2.83Å; A57-N89 PolarHBondContact O-OD1 3.2Å; L85-N89 PolarHBondContact O-ND2 2.94Å; Q86-N89 CarbonylContact O-C 3.58Å; Q86-N89 WeakPolarHBondContact O-CA 3.29Å; Q86-N89 PolarHBondContact O-N 3.24Å; K87-N89 PolarHBondContact O-N 3.29Å; N89-I299 VanDerWaalsContact O-CG2 3.32Å; N89-I299 WeakPolarHBondContact O-CG2 3.48Å
90E89.6Confident92.1Very high97 Ų9744.8 Ų44.845%0.45325%0.248SC..SBendtrans-113.2129.9174.2-69.3171.3-173.900109.8P38 Q86 K87 T92P38-E90 WeakPolarHBondContact CD-O 3.31Å; P38-E90 WeakPolarHBondContact CG-O 3.2Å; Q86-E90 PolarHBondContact O-N 3.13Å; K87-E90 PolarHBondContact O-N 3.45Å; K87-E90 VanDerWaalsContact O-N 3.1Å; E90-T92 HydrophobicContact CB-CG2 4.02Å; E90-T92 PolarHBondContact O-N 2.91Å
91S80.5Confident92Very high54 Ų5444.5 Ų44.538%0.37825%0.246SC..  trans-73.389.3174.8162.30000108.8D36D36-S91 WeakPolarHBondContact OD2-CA 3.45Å; D36-S91 VanDerWaalsContact OD2-CB 3.25Å; D36-S91 WeakPolarHBondContact OD2-CB 3.47Å; D36-S91 PolarHBondContact OD2-OG 2.89Å
92T78.4Confident91.8Very high60 Ų6045 Ų4537%0.36825%0.249SC..  trans-107.4-19.4-177.655.70000113E90 E94E90-T92 HydrophobicContact CB-CG2 4.02Å; E90-T92 PolarHBondContact O-N 2.91Å; T92-E94 PolarHBondContact O-N 3.3Å; T92-E94 VanDerWaalsContact O-N 3.14Å; T92-E94 PolarHBondContact OG1-N 2.86Å
93G78.5Confident91.7Very high58 Ų5848.4 Ų48.460%0.59827%0.267SS*.  trans65.21.3-16900000114.7
94E86.4Confident91.5Very high131 Ų13147 Ų4761%0.61226%0.261SS*.  trans-90147.7-179.4-65.5-170.8162.900111.4P38 T92P38-E94 WeakPolarHBondContact CB-O 3.25Å; T92-E94 PolarHBondContact O-N 3.3Å; T92-E94 VanDerWaalsContact O-N 3.14Å; T92-E94 PolarHBondContact OG1-N 2.86Å
95T91.5Very high91.3Very high79 Ų7946.4 Ų46.449%0.48526%0.258SS..  trans-85.7121.9167.4-580000109H41 A311H41-T95 HydrophobicContact CB-CG2 4.16Å; T95-A311 HydrophobicContact CG2-CB 3.66Å
96L95.5Very high91Very high23 Ų2351.7 Ų51.712%0.1228%0.278CS..BIsolated β-bridgetrans-89.2174.5-178.4-60.7177.7000111.6P38 G39 L40 H41 K87 L88P38-L96 HydrophobicContact CB-CD1 3.79Å; P38-L96 HydrophobicContact CB-CG 3.98Å; P38-L96 HydrophobicContact CG-CD1 4.37Å; G39-L96 PolarHBondContact O-N 3.16Å; L40-L96 CarbonylContact C-O 3.51Å; L40-L96 WeakPolarHBondContact CA-O 3.32Å; L40-L96 HydrophobicContact CD2-CB 3.71Å; H41-L96 PolarHBondContact N-O 2.66Å; K87-L96 HydrophobicContact CB-CD1 3.54Å; K87-L96 HydrophobicContact CB-CD2 4.37Å; K87-L96 HydrophobicContact CD-CD2 4.42Å; L88-L96 HydrophobicContact CD2-CD1 3.99Å; L88-L96 HydrophobicContact CG-CD1 4.13Å
97S94.8Very high90.6Very high54 Ų5458.8 Ų58.838%0.37830%0.303SS..  trans-136.8134.6177.9172.50000111.8M43 I84 A99M43-S97 PolarHBondContact SD-OG 3.21Å; I84-S97 WeakPolarHBondContact CD1-O 3.43Å; S97-A99 PolarHBondContact O-N 2.83Å; S97-A99 WeakPolarHBondContact OG-CB 3.4Å; S97-A99 PolarHBondContact OG-N 2.94Å
98A94.5Very high90.1Very high0 Ų059 Ų590%030%0.302CS..THydrogen-bonded Turntrans-75.17.6174.200000114.2M43 V49 L53 I84 R100 V101 V102M43-A98 HydrophobicContact CE-CB 4.15Å; V49-A98 HydrophobicContact CG1-CB 3.9Å; L53-A98 HydrophobicContact CD1-CB 3.67Å; I84-A98 HydrophobicContact CD1-CB 4.25Å; A98-R100 VanDerWaalsContact C-N 3.27Å; A98-R100 PolarHBondContact O-N 2.99Å; A98-R100 VanDerWaalsContact O-N 3.16Å; A98-V101 PolarHBondContact O-N 3.14Å; A98-V101 VanDerWaalsContact O-N 3.1Å; A98-V102 WeakPolarHBondContact O-CG2 2.94Å; A98-V102 PolarHBondContact O-N 3.4Å
99A93.3Very high89.5Confident32 Ų3261.7 Ų61.726%0.26433%0.33SS..Hα-helixtrans-55.1-38.7-172.500000113.5M43 S97 N103M43-A99 HydrophobicContact CE-CB 4.25Å; M43-A99 HydrophobicContact SD-CB 3.76Å; S97-A99 PolarHBondContact O-N 2.83Å; S97-A99 WeakPolarHBondContact OG-CB 3.4Å; S97-A99 PolarHBondContact OG-N 2.94Å; A99-N103 WeakPolarHBondContact O-CB 3.06Å; A99-N103 PolarHBondContact O-N 3.46Å; A99-N103 PolarHBondContact O-ND2 3.06Å; A99-N103 VanDerWaalsContact O-ND2 3.1Å
100R94.1Very high88.9Confident131 Ų13164.2 Ų64.249%0.49434%0.336SS..Hα-helixtrans-65.8-43.2179.6-71.8172.963.689.2-6.1111.9E83 A98 N103 A104E83-R100 IonicContact OE1-NE 2.8Å; E83-R100 IonicContact OE2-CZ 2.63Å; E83-R100 IonicContact OE2-NE 3.76Å; E83-R100 PolarHBondContact OE2-NE 3.01Å; E83-R100 IonicContact OE2-NH2 3.44Å; E83-R100 PolarHBondContact OE2-NH2 3.12Å; A98-R100 VanDerWaalsContact C-N 3.27Å; A98-R100 PolarHBondContact O-N 2.99Å; A98-R100 VanDerWaalsContact O-N 3.16Å; R100-N103 PolarHBondContact O-N 3.47Å; R100-A104 WeakPolarHBondContact O-CB 3.31Å; R100-A104 PolarHBondContact O-N 3.35Å
101V95Very high88.1Confident0 Ų065.6 Ų65.60%035%0.345CS..Hα-helixtrans-64.4-48.8176178.80000110.5F77 I84 A98 N103 A104 L105 F127F77-V101 HydrophobicContact CD2-CG1 4.36Å; F77-V101 HydrophobicContact CE2-CG1 3.77Å; I84-V101 HydrophobicContact CG2-CG2 3.83Å; A98-V101 PolarHBondContact O-N 3.14Å; A98-V101 VanDerWaalsContact O-N 3.1Å; V101-N103 VanDerWaalsContact C-N 3.32Å; V101-N103 PolarHBondContact O-N 3.2Å; V101-A104 WeakPolarHBondContact O-CB 3.24Å; V101-A104 PolarHBondContact O-N 3.06Å; V101-A104 VanDerWaalsContact O-N 3.13Å; V101-L105 HydrophobicContact CG1-CD1 4.35Å; V101-L105 WeakPolarHBondContact O-CG 3.14Å; V101-L105 PolarHBondContact O-N 3.4Å; V101-F127 HydrophobicContact CG1-CE1 4.4Å; V101-F127 HydrophobicContact CG1-CE2 4.39Å; V101-F127 HydrophobicContact CG1-CZ 3.8Å
102V92.7Very high87.7Confident11 Ų1164 Ų647%0.06733%0.332CS..Hα-helixtrans-59.1-43.2177.5169.90000111.5M43 V49 A98 A104 L105 R106 L112M43-V102 HydrophobicContact CE-CG2 4.25Å; V49-V102 HydrophobicContact CG1-CG2 4.35Å; V49-V102 HydrophobicContact CG2-CG2 4.45Å; A98-V102 WeakPolarHBondContact O-CG2 2.94Å; A98-V102 PolarHBondContact O-N 3.4Å; V102-A104 VanDerWaalsContact C-N 3.34Å; V102-A104 PolarHBondContact O-N 2.87Å; V102-L105 PolarHBondContact O-N 3.33Å; V102-R106 WeakPolarHBondContact O-CB 2.99Å; V102-R106 PolarHBondContact O-N 2.98Å; V102-L112 HydrophobicContact CB-CD1 4.45Å; V102-L112 HydrophobicContact CG1-CD1 4.16Å; V102-L112 HydrophobicContact CG2-CD1 4.02Å
103N92.1Very high87.1Confident71 Ų7166.9 Ų66.938%0.3834%0.342SS..Hα-helixtrans-68-33.5177.6-73.3-26.9000112.4A99 R100 V101 R106 R107A99-N103 WeakPolarHBondContact O-CB 3.06Å; A99-N103 PolarHBondContact O-N 3.46Å; A99-N103 PolarHBondContact O-ND2 3.06Å; A99-N103 VanDerWaalsContact O-ND2 3.1Å; R100-N103 PolarHBondContact O-N 3.47Å; V101-N103 VanDerWaalsContact C-N 3.32Å; V101-N103 PolarHBondContact O-N 3.2Å; N103-R106 PolarHBondContact OD1-NH1 2.83Å; N103-R107 WeakPolarHBondContact O-CG 3.42Å; N103-R107 PolarHBondContact O-N 3.47Å
104A92.8Very high86.3Confident5 Ų566.6 Ų66.64%0.04133%0.33CS..Hα-helixtrans-65.8-42.1174.600000111.5I76 F77 R100 V101 V102 R107I76-A104 HydrophobicContact CG2-CB 4.05Å; F77-A104 HydrophobicContact CB-CB 4.14Å; F77-A104 HydrophobicContact CD2-CB 4.2Å; R100-A104 WeakPolarHBondContact O-CB 3.31Å; R100-A104 PolarHBondContact O-N 3.35Å; V101-A104 WeakPolarHBondContact O-CB 3.24Å; V101-A104 PolarHBondContact O-N 3.06Å; V101-A104 VanDerWaalsContact O-N 3.13Å; V102-A104 VanDerWaalsContact C-N 3.34Å; V102-A104 PolarHBondContact O-N 2.87Å; A104-R107 PolarHBondContact O-N 3.29Å
105L91.7Very high85.2Confident0 Ų070 Ų700%034%0.339CS..Hα-helixtrans-64.9-44.2174.3-68.4171.6000112F77 V101 V102 R107 R108 W110 L112 L123 V126 F127 T130F77-L105 HydrophobicContact CD2-CD2 3.85Å; F77-L105 HydrophobicContact CD2-CG 4.05Å; F77-L105 HydrophobicContact CE2-CD1 4.23Å; F77-L105 HydrophobicContact CE2-CD2 3.59Å; F77-L105 HydrophobicContact CE2-CG 3.83Å; F77-L105 HydrophobicContact CZ-CD2 4.3Å; V101-L105 HydrophobicContact CG1-CD1 4.35Å; V101-L105 WeakPolarHBondContact O-CG 3.14Å; V101-L105 PolarHBondContact O-N 3.4Å; V102-L105 PolarHBondContact O-N 3.33Å; L105-R107 PolarHBondContact O-N 2.88Å; L105-R108 WeakPolarHBondContact O-CA 3.46Å; L105-R108 WeakPolarHBondContact O-CB 3.4Å; L105-R108 PolarHBondContact O-N 3.5Å; L105-W110 HydrophobicContact CB-CB 4.06Å; L105-W110 PolarHBondContact O-N 3.01Å; L105-L112 HydrophobicContact CD1-CD1 4.22Å; L105-L123 HydrophobicContact CD1-CD1 4.38Å; L105-V126 HydrophobicContact CD2-CG1 3.88Å; L105-F127 HydrophobicContact CD1-CD1 4.16Å; L105-F127 HydrophobicContact CD1-CE1 3.56Å; L105-F127 HydrophobicContact CD1-CZ 4.41Å; L105-T130 HydrophobicContact CD2-CG2 4.11Å
106R89.4Confident84.1Confident111 Ų11167.4 Ų67.442%0.41932%0.324SS..Hα-helixtrans-57.8-36.2177.7-170.4-178.1-68.2132.4-1.6112.7V102 N103 R108 G109 W110V102-R106 WeakPolarHBondContact O-CB 2.99Å; V102-R106 PolarHBondContact O-N 2.98Å; N103-R106 PolarHBondContact OD1-NH1 2.83Å; R106-R108 PolarHBondContact O-N 3.33Å; R106-G109 PolarHBondContact O-N 3.44Å; R106-W110 WeakPolarHBondContact CA-O 3.48Å
107R87.2Confident83Confident195 Ų19570.9 Ų70.974%0.73634%0.34SS*.THydrogen-bonded Turntrans-64.1-17.6175.6-72.8174.4-174-140.71.4113.4N103 A104 L105N103-R107 WeakPolarHBondContact O-CG 3.42Å; N103-R107 PolarHBondContact O-N 3.47Å; A104-R107 PolarHBondContact O-N 3.29Å; L105-R107 PolarHBondContact O-N 2.88Å
108R84.2Confident82.3Confident84 Ų8470.9 Ų70.932%0.31733%0.334SS..THydrogen-bonded Turntrans-99.110.1174.8-62.4-162179.9-167.3-1.4114L105 R106 W110 T130 E133 E134L105-R108 WeakPolarHBondContact O-CA 3.46Å; L105-R108 WeakPolarHBondContact O-CB 3.4Å; L105-R108 PolarHBondContact O-N 3.5Å; R106-R108 PolarHBondContact O-N 3.33Å; R108-W110 VanDerWaalsContact C-N 3.34Å; R108-T130 PolarHBondContact NH1-O 3.47Å; R108-E133 IonicContact CZ-OE2 2.68Å; R108-E133 IonicContact NH1-OE2 3.25Å; R108-E133 PolarHBondContact NH1-OE2 3.24Å; R108-E134 IonicContact CZ-OE1 2.72Å; R108-E134 IonicContact NH2-OE1 3.31Å; R108-E134 PolarHBondContact NH2-OE1 3.19Å
109G82.6Confident81.9Confident57 Ų5773.8 Ų73.859%0.58835%0.349SS*.THydrogen-bonded Turntrans86.12-179.900000114.4R106 I111R106-G109 PolarHBondContact O-N 3.44Å; G109-I111 PolarHBondContact O-N 3.48Å; G109-I111 VanDerWaalsContact O-N 3.09Å
110W81.3Confident81.7Confident96 Ų9672.2 Ų72.236%0.36434%0.337SS..  trans-77.497.2172-71.999000110L105 R106 R108 L112 V126L105-W110 HydrophobicContact CB-CB 4.06Å; L105-W110 PolarHBondContact O-N 3.01Å; R106-W110 WeakPolarHBondContact CA-O 3.48Å; R108-W110 VanDerWaalsContact C-N 3.34Å; W110-L112 PolarHBondContact O-N 2.93Å; W110-V126 HydrophobicContact CD2-CB 4.35Å; W110-V126 HydrophobicContact CD2-CG1 3.5Å; W110-V126 VanDerWaalsContact CD2-CG1 3.5Å; W110-V126 HydrophobicContact CD2-CG2 3.89Å; W110-V126 HydrophobicContact CE3-CB 4.48Å; W110-V126 HydrophobicContact CE3-CG1 4.01Å; W110-V126 HydrophobicContact CE3-CG2 3.61Å; W110-V126 HydrophobicContact CG-CG1 3.72Å; W110-V126 HydrophobicContact CH2-CB 4.5Å; W110-V126 HydrophobicContact CH2-CG2 3.35Å; W110-V126 HydrophobicContact CZ2-CB 4.34Å; W110-V126 HydrophobicContact CZ2-CG1 4.1Å; W110-V126 HydrophobicContact CZ2-CG2 3.62Å; W110-V126 HydrophobicContact CZ3-CG2 3.33Å
111I73.8Confident81.2Confident125 Ų12569.9 Ų69.964%0.64133%0.331SS*.  trans-86.893.1177-56.1175.2000107.9G109 E113G109-I111 PolarHBondContact O-N 3.48Å; G109-I111 VanDerWaalsContact O-N 3.09Å; I111-E113 HydrophobicContact CG2-CG 4.21Å; I111-E113 PolarHBondContact O-N 3.33Å; I111-E113 VanDerWaalsContact O-N 3.08Å
112L70.9Confident80.8Confident20 Ų2074.4 Ų74.411%0.10535%0.352CS..  trans-7295.9163.5-56.3175.6000106.7F48 V49 V102 L105 W110 S114 L123F48-L112 HydrophobicContact CE2-CD2 3.95Å; F48-L112 HydrophobicContact CZ-CB 4.49Å; F48-L112 HydrophobicContact CZ-CD1 4.41Å; F48-L112 HydrophobicContact CZ-CD2 3.9Å; F48-L112 HydrophobicContact CZ-CG 4.49Å; V49-L112 HydrophobicContact CG2-CD1 4.11Å; V102-L112 HydrophobicContact CB-CD1 4.45Å; V102-L112 HydrophobicContact CG1-CD1 4.16Å; V102-L112 HydrophobicContact CG2-CD1 4.02Å; L105-L112 HydrophobicContact CD1-CD1 4.22Å; W110-L112 PolarHBondContact O-N 2.93Å; L112-S114 PolarHBondContact O-N 3.12Å; L112-L123 HydrophobicContact CD2-CD1 4.25Å
113E66.4Low80.7Confident121 Ų12174.1 Ų74.157%0.56535%0.35SS*.  trans-63.1128.2177.4-47.2176.6135.100108.1I111 Y115 S116I111-E113 HydrophobicContact CG2-CG 4.21Å; I111-E113 PolarHBondContact O-N 3.33Å; I111-E113 VanDerWaalsContact O-N 3.08Å; E113-Y115 PolarHBondContact O-N 3.28Å; E113-S116 WeakPolarHBondContact CB-OG 3.5Å; E113-S116 PolarHBondContact O-N 2.75Å; E113-S116 VanDerWaalsContact OE2-CB 3.23Å; E113-S116 WeakPolarHBondContact OE2-CB 3.21Å; E113-S116 PolarHBondContact OE2-OG 3.29Å
114S62.1Low80.6Confident52 Ų5272.5 Ų72.536%0.36434%0.341SS..THydrogen-bonded Turntrans-64.4-2.6-169.2-56.60000114.9G44 A45 L112G44-S114 CarbonylContact C-O 3.6Å; A45-S114 WeakPolarHBondContact CB-O 3.34Å; A45-S114 PolarHBondContact N-O 2.81Å; L112-S114 PolarHBondContact O-N 3.12Å
115Y64Low80.2Confident203 Ų20375.8 Ų75.880%0.79636%0.358SS*.THydrogen-bonded Turntrans-137.33.1-176.6-53.8-72.8000113.8E113E113-Y115 PolarHBondContact O-N 3.28Å
116S66.8Low80Confident24 Ų2476.1 Ų76.117%0.16836%0.361CS..SBendtrans-94.7138171.266.60000110.2E113 Q118E113-S116 WeakPolarHBondContact CB-OG 3.5Å; E113-S116 PolarHBondContact O-N 2.75Å; E113-S116 VanDerWaalsContact OE2-CB 3.23Å; E113-S116 WeakPolarHBondContact OE2-CB 3.21Å; E113-S116 PolarHBondContact OE2-OG 3.29Å; S116-Q118 PolarHBondContact OG-NE2 3.35Å
117Q72.5Confident80.1Confident97 Ų9770.9 Ų70.945%0.45334%0.341SS..  trans-75.3137.3174.1-63.3-175.28.300108.6S288 S289 G290Q117-S288 PolarHBondContact OE1-O 3.48Å; Q117-S289 PolarHBondContact NE2-OG 3.23Å; Q117-G290 VanDerWaalsContact OE1-N 3.17Å
118Q80.9Confident80Confident53 Ų5362.5 Ų62.525%0.24831%0.312CS..  trans-128.8151-176.4-62.6-70.9-25.600108.6F48 S116F48-Q118 HydrophobicContact CD1-CB 3.9Å; F48-Q118 HydrophobicContact CD2-CB 3.74Å; F48-Q118 HydrophobicContact CE1-CB 3.69Å; F48-Q118 HydrophobicContact CE1-CG 3.88Å; F48-Q118 HydrophobicContact CE2-CB 3.57Å; F48-Q118 HydrophobicContact CE2-CG 4.09Å; F48-Q118 HydrophobicContact CG-CB 3.94Å; F48-Q118 HydrophobicContact CZ-CB 3.56Å; F48-Q118 HydrophobicContact CZ-CG 3.66Å; S116-Q118 PolarHBondContact OG-NE2 3.35Å
119D85.2Confident80Confident61 Ų6160.6 Ų60.633%0.32631%0.312SS..  trans-83.9135.8-178.5-179.4-78000110.7H121 E122 L123 Y327D119-H121 VanDerWaalsContact C-N 3.34Å; D119-H121 VanDerWaalsContact OD1-CA 3.31Å; D119-H121 WeakPolarHBondContact OD1-CA 3.35Å; D119-H121 VanDerWaalsContact OD1-CB 3.24Å; D119-H121 WeakPolarHBondContact OD1-CB 3.48Å; D119-H121 PolarHBondContact OD1-N 3.05Å; D119-E122 HydrophobicContact CB-CB 3.98Å; D119-E122 PolarHBondContact O-N 3.05Å; D119-E122 PolarHBondContact OD1-N 2.92Å; D119-L123 PolarHBondContact O-N 3.25Å; D119-Y327 PolarHBondContact OD1-OH 3.17Å; D119-Y327 PolarHBondContact OD2-OH 3.36Å
120V89.5Confident80.4Confident0 Ų057.9 Ų57.90%028%0.284CS..Hα-helixtrans-69.2-33.4-177.51680000111.7F48 L52 L123 L124 I281 F292 Y327 M328F48-V120 HydrophobicContact CB-CG2 3.67Å; L52-V120 HydrophobicContact CB-CG1 4.21Å; L52-V120 HydrophobicContact CD1-CG1 4.15Å; V120-L123 PolarHBondContact O-N 3.4Å; V120-L124 PolarHBondContact O-N 2.98Å; V120-I281 HydrophobicContact CG1-CD1 3.77Å; V120-F292 HydrophobicContact CB-CD1 4.44Å; V120-F292 HydrophobicContact CB-CE1 4.15Å; V120-F292 HydrophobicContact CB-CZ 4.4Å; V120-F292 HydrophobicContact CG2-CB 4.37Å; V120-F292 HydrophobicContact CG2-CD1 3.5Å; V120-F292 HydrophobicContact CG2-CD2 3.84Å; V120-F292 HydrophobicContact CG2-CE1 3.55Å; V120-F292 HydrophobicContact CG2-CE2 3.89Å; V120-F292 HydrophobicContact CG2-CG 3.63Å; V120-F292 HydrophobicContact CG2-CZ 3.75Å; V120-Y327 HydrophobicContact CB-CD1 4.4Å; V120-Y327 HydrophobicContact CB-CE1 3.75Å; V120-Y327 HydrophobicContact CG1-CE1 4.31Å; V120-M328 HydrophobicContact CG1-CE 3.95Å; V120-M328 HydrophobicContact CG1-SD 4.05Å
121H84.8Confident80.7Confident81 Ų8153.4 Ų53.438%0.37527%0.267SS..Hα-helixtrans-71.4-40.3175.8172.6-103.7000111.6D119 L123 L124 N125 Y327 M328D119-H121 VanDerWaalsContact C-N 3.34Å; D119-H121 VanDerWaalsContact OD1-CA 3.31Å; D119-H121 WeakPolarHBondContact OD1-CA 3.35Å; D119-H121 VanDerWaalsContact OD1-CB 3.24Å; D119-H121 WeakPolarHBondContact OD1-CB 3.48Å; D119-H121 PolarHBondContact OD1-N 3.05Å; H121-L123 VanDerWaalsContact C-N 3.33Å; H121-L123 PolarHBondContact O-N 3.2Å; H121-L124 PolarHBondContact O-N 3.41Å; H121-N125 PolarHBondContact CE1-ND2 3.42Å; H121-N125 PolarHBondContact NE2-ND2 3.24Å; H121-N125 PolarHBondContact O-N 2.89Å; H121-N125 PolarHBondContact O-ND2 2.89Å; H121-N125 VanDerWaalsContact O-ND2 3.14Å; H121-Y327 WeakPolarHBondContact CB-OH 3.41Å; H121-Y327 PolarHBondContact N-OH 3.47Å; H121-M328 HydrophobicContact CB-CE 3.87Å
122E86.2Confident81.3Confident96 Ų9649.7 Ų49.745%0.44925%0.251SS..Hα-helixtrans-56.9-48.3169.8-174.7172.7-168.900110.8D119 L124 N125 V126D119-E122 HydrophobicContact CB-CB 3.98Å; D119-E122 PolarHBondContact O-N 3.05Å; D119-E122 PolarHBondContact OD1-N 2.92Å; E122-L124 VanDerWaalsContact C-N 3.32Å; E122-L124 PolarHBondContact O-N 3.05Å; E122-N125 WeakPolarHBondContact O-CB 3.36Å; E122-N125 PolarHBondContact O-N 3.36Å; E122-N125 VanDerWaalsContact O-N 3.12Å; E122-V126 WeakPolarHBondContact O-CG2 3.47Å; E122-V126 PolarHBondContact O-N 3.09Å
123L89.9Confident82Confident5 Ų553.6 Ų53.63%0.02627%0.269CS..Hα-helixtrans-59.9-40.3176.9-174.367.1000112.7F48 V49 L52 L105 L112 D119 V120 H121 N125 V126 F127F48-L123 HydrophobicContact CD2-CB 4.13Å; F48-L123 HydrophobicContact CD2-CD1 4.5Å; F48-L123 HydrophobicContact CD2-CD2 3.54Å; F48-L123 HydrophobicContact CD2-CG 4.24Å; F48-L123 HydrophobicContact CE2-CB 4.42Å; F48-L123 HydrophobicContact CE2-CD1 4.04Å; F48-L123 HydrophobicContact CE2-CD2 3.78Å; F48-L123 HydrophobicContact CE2-CG 4.28Å; V49-L123 HydrophobicContact CB-CD2 4.11Å; V49-L123 HydrophobicContact CG1-CD2 4.41Å; V49-L123 HydrophobicContact CG2-CD2 3.83Å; L52-L123 HydrophobicContact CB-CD2 4.2Å; L52-L123 HydrophobicContact CD2-CB 4.08Å; L52-L123 HydrophobicContact CD2-CD2 3.58Å; L52-L123 HydrophobicContact CD2-CG 3.65Å; L105-L123 HydrophobicContact CD1-CD1 4.38Å; L112-L123 HydrophobicContact CD2-CD1 4.25Å; D119-L123 PolarHBondContact O-N 3.25Å; V120-L123 PolarHBondContact O-N 3.4Å; H121-L123 VanDerWaalsContact C-N 3.33Å; H121-L123 PolarHBondContact O-N 3.2Å; L123-N125 VanDerWaalsContact C-N 3.31Å; L123-N125 PolarHBondContact O-N 2.97Å; L123-V126 WeakPolarHBondContact O-CB 3.34Å; L123-V126 PolarHBondContact O-N 3.23Å; L123-F127 HydrophobicContact CD1-CD1 3.93Å; L123-F127 HydrophobicContact CD1-CE1 3.51Å; L123-F127 HydrophobicContact CD2-CE1 3.89Å; L123-F127 HydrophobicContact CD2-CZ 4.15Å; L123-F127 HydrophobicContact CG-CD1 3.91Å; L123-F127 HydrophobicContact CG-CE1 3.56Å; L123-F127 HydrophobicContact CG-CZ 4.27Å; L123-F127 WeakPolarHBondContact O-CD1 3.38Å; L123-F127 PolarHBondContact O-N 2.88Å
124L90Very high83.1Confident36 Ų3648.1 Ų48.119%0.18824%0.244CC..Hα-helixtrans-61.1-41.7176.5176.660.5000111.1L52 V120 H121 E122 V126 F127 C128 W131 M328L52-L124 HydrophobicContact CD1-CB 4.16Å; L52-L124 HydrophobicContact CD1-CD1 4.19Å; L52-L124 HydrophobicContact CD2-CB 4.22Å; V120-L124 PolarHBondContact O-N 2.98Å; H121-L124 PolarHBondContact O-N 3.41Å; E122-L124 VanDerWaalsContact C-N 3.32Å; E122-L124 PolarHBondContact O-N 3.05Å; L124-V126 VanDerWaalsContact C-N 3.32Å; L124-V126 PolarHBondContact O-N 3.37Å; L124-F127 WeakPolarHBondContact O-CB 3.24Å; L124-F127 PolarHBondContact O-N 2.97Å; L124-F127 VanDerWaalsContact O-N 3.16Å; L124-C128 WeakPolarHBondContact O-CB 3.21Å; L124-C128 PolarHBondContact O-N 3.33Å; L124-C128 PolarHBondContact O-SG 3.03Å; L124-W131 HydrophobicContact CD1-CH2 4.19Å; L124-M328 HydrophobicContact CB-CE 4.3Å; L124-M328 HydrophobicContact CD2-CE 3.82Å; L124-M328 HydrophobicContact CD2-SD 3.97Å
125N85.4Confident84.1Confident74 Ų7445.8 Ų45.840%0.39623%0.227SC..Hα-helixtrans-64-37.7175.6-71.4-43.5000112.3H121 E122 L123 F127 C128 S129H121-N125 PolarHBondContact CE1-ND2 3.42Å; H121-N125 PolarHBondContact NE2-ND2 3.24Å; H121-N125 PolarHBondContact O-N 2.89Å; H121-N125 PolarHBondContact O-ND2 2.89Å; H121-N125 VanDerWaalsContact O-ND2 3.14Å; E122-N125 WeakPolarHBondContact O-CB 3.36Å; E122-N125 PolarHBondContact O-N 3.36Å; E122-N125 VanDerWaalsContact O-N 3.12Å; L123-N125 VanDerWaalsContact C-N 3.31Å; L123-N125 PolarHBondContact O-N 2.97Å; N125-F127 VanDerWaalsContact C-N 3.34Å; N125-C128 WeakPolarHBondContact O-CB 3.14Å; N125-C128 PolarHBondContact O-N 3.32Å; N125-S129 PolarHBondContact O-N 2.94Å; N125-S129 PolarHBondContact O-OG 3.1Å
126V87.3Confident85.1Confident8 Ų839.6 Ų39.65%0.04821%0.21CC..Hα-helixtrans-61.5-42.9171.8174.40000111.5L105 W110 E122 L123 L124 C128 S129 T130L105-V126 HydrophobicContact CD2-CG1 3.88Å; W110-V126 HydrophobicContact CD2-CB 4.35Å; W110-V126 HydrophobicContact CD2-CG1 3.5Å; W110-V126 VanDerWaalsContact CD2-CG1 3.5Å; W110-V126 HydrophobicContact CD2-CG2 3.89Å; W110-V126 HydrophobicContact CE3-CB 4.48Å; W110-V126 HydrophobicContact CE3-CG1 4.01Å; W110-V126 HydrophobicContact CE3-CG2 3.61Å; W110-V126 HydrophobicContact CG-CG1 3.72Å; W110-V126 HydrophobicContact CH2-CB 4.5Å; W110-V126 HydrophobicContact CH2-CG2 3.35Å; W110-V126 HydrophobicContact CZ2-CB 4.34Å; W110-V126 HydrophobicContact CZ2-CG1 4.1Å; W110-V126 HydrophobicContact CZ2-CG2 3.62Å; W110-V126 HydrophobicContact CZ3-CG2 3.33Å; E122-V126 WeakPolarHBondContact O-CG2 3.47Å; E122-V126 PolarHBondContact O-N 3.09Å; L123-V126 WeakPolarHBondContact O-CB 3.34Å; L123-V126 PolarHBondContact O-N 3.23Å; L124-V126 VanDerWaalsContact C-N 3.32Å; L124-V126 PolarHBondContact O-N 3.37Å; V126-C128 VanDerWaalsContact C-N 3.34Å; V126-S129 PolarHBondContact O-OG 3.33Å; V126-T130 WeakPolarHBondContact O-CB 3.41Å; V126-T130 PolarHBondContact O-N 3.45Å; V126-T130 PolarHBondContact O-OG1 3.16Å
127F90.6Very high85.9Confident0 Ų042.7 Ų42.70%023%0.228CC..Hα-helixtrans-62.6-46176.2-80.532.1000110.3L52 L53 L56 F77 L81 V101 L105 L123 L124 N125 S129 T130 W131L52-F127 HydrophobicContact CD2-CD1 4.33Å; L52-F127 HydrophobicContact CD2-CD2 3.89Å; L52-F127 HydrophobicContact CD2-CE1 4.28Å; L52-F127 HydrophobicContact CD2-CE2 3.87Å; L52-F127 HydrophobicContact CD2-CG 4.14Å; L52-F127 HydrophobicContact CD2-CZ 4.07Å; L52-F127 HydrophobicContact CG-CE2 4.41Å; L53-F127 HydrophobicContact CD2-CE2 3.98Å; L53-F127 HydrophobicContact CD2-CZ 4.44Å; L56-F127 HydrophobicContact CD1-CD2 3.94Å; L56-F127 HydrophobicContact CD1-CE2 4.17Å; F77-F127 HydrophobicContact CE1-CB 4.43Å; F77-F127 HydrophobicContact CE2-CD1 4.23Å; F77-F127 HydrophobicContact CE2-CE1 4.28Å; F77-F127 HydrophobicContact CE2-CG 4.38Å; F77-F127 HydrophobicContact CE2-CZ 4.46Å; F77-F127 HydrophobicContact CZ-CB 3.95Å; F77-F127 AromaticContact CZ-CD1 3.85Å; F77-F127 HydrophobicContact CZ-CD1 3.85Å; F77-F127 AromaticContact CZ-CD2 3.79Å; F77-F127 HydrophobicContact CZ-CD2 3.79Å; F77-F127 HydrophobicContact CZ-CE1 4.27Å; F77-F127 HydrophobicContact CZ-CE2 4.21Å; F77-F127 AromaticContact CZ-CG 3.59Å; F77-F127 HydrophobicContact CZ-CG 3.59Å; F77-F127 HydrophobicContact CZ-CZ 4.43Å; L81-F127 HydrophobicContact CD1-CE2 4.22Å; V101-F127 HydrophobicContact CG1-CE1 4.4Å; V101-F127 HydrophobicContact CG1-CE2 4.39Å; V101-F127 HydrophobicContact CG1-CZ 3.8Å; L105-F127 HydrophobicContact CD1-CD1 4.16Å; L105-F127 HydrophobicContact CD1-CE1 3.56Å; L105-F127 HydrophobicContact CD1-CZ 4.41Å; L123-F127 HydrophobicContact CD1-CD1 3.93Å; L123-F127 HydrophobicContact CD1-CE1 3.51Å; L123-F127 HydrophobicContact CD2-CE1 3.89Å; L123-F127 HydrophobicContact CD2-CZ 4.15Å; L123-F127 HydrophobicContact CG-CD1 3.91Å; L123-F127 HydrophobicContact CG-CE1 3.56Å; L123-F127 HydrophobicContact CG-CZ 4.27Å; L123-F127 WeakPolarHBondContact O-CD1 3.38Å; L123-F127 PolarHBondContact O-N 2.88Å; L124-F127 WeakPolarHBondContact O-CB 3.24Å; L124-F127 PolarHBondContact O-N 2.97Å; L124-F127 VanDerWaalsContact O-N 3.16Å; N125-F127 VanDerWaalsContact C-N 3.34Å; F127-S129 PolarHBondContact O-N 3.36Å; F127-T130 PolarHBondContact O-N 3.05Å; F127-W131 HydrophobicContact CB-CE3 3.93Å; F127-W131 HydrophobicContact CB-CH2 3.96Å; F127-W131 HydrophobicContact CB-CZ3 3.42Å; F127-W131 VanDerWaalsContact CB-CZ3 3.42Å; F127-W131 HydrophobicContact CD2-CZ3 4.2Å; F127-W131 HydrophobicContact CG-CZ3 4.33Å; F127-W131 PolarHBondContact O-N 3.23Å
128C86.1Confident86.3Confident20 Ų2039 Ų3914%0.13521%0.212CC..Hα-helixtrans-54.9-50.4176.6-70.60000113.2L124 N125 V126 W131 S132L124-C128 WeakPolarHBondContact O-CB 3.21Å; L124-C128 PolarHBondContact O-N 3.33Å; L124-C128 PolarHBondContact O-SG 3.03Å; N125-C128 WeakPolarHBondContact O-CB 3.14Å; N125-C128 PolarHBondContact O-N 3.32Å; V126-C128 VanDerWaalsContact C-N 3.34Å; C128-W131 VanDerWaalsContact CA-CZ2 3.43Å; C128-W131 HydrophobicContact CB-CH2 4.48Å; C128-W131 HydrophobicContact CB-CZ2 3.91Å; C128-W131 PolarHBondContact O-NE1 3.21Å; C128-W131 WeakPolarHBondContact SG-CZ2 3.5Å; C128-S132 WeakPolarHBondContact O-CB 3.31Å; C128-S132 PolarHBondContact O-N 2.93Å; C128-S132 VanDerWaalsContact O-N 3.13Å; C128-S132 PolarHBondContact O-OG 2.89Å
129S84.2Confident86.3Confident44 Ų4440.1 Ų40.131%0.30822%0.215SC..Hα-helixtrans-64.6-45.1177.762.30000110.8N125 V126 F127 W131 S132 E133N125-S129 PolarHBondContact O-N 2.94Å; N125-S129 PolarHBondContact O-OG 3.1Å; V126-S129 PolarHBondContact O-OG 3.33Å; F127-S129 PolarHBondContact O-N 3.36Å; S129-W131 PolarHBondContact O-N 3.2Å; S129-S132 PolarHBondContact O-N 3.24Å; S129-E133 WeakPolarHBondContact O-CG 3.39Å; S129-E133 PolarHBondContact O-N 3.38Å
130T89.7Confident86.2Confident0 Ų042.1 Ų42.10%023%0.226CC..Hα-helixtrans-60.2-51.1-177.5-61.30000112.4F77 L105 R108 V126 F127 S132 E133 E134F77-T130 HydrophobicContact CB-CG2 3.63Å; F77-T130 HydrophobicContact CD1-CG2 3.34Å; F77-T130 HydrophobicContact CD2-CG2 3.89Å; F77-T130 HydrophobicContact CE1-CG2 3.86Å; F77-T130 HydrophobicContact CE2-CG2 4.37Å; F77-T130 HydrophobicContact CG-CG2 3.33Å; F77-T130 HydrophobicContact CZ-CG2 4.36Å; L105-T130 HydrophobicContact CD2-CG2 4.11Å; R108-T130 PolarHBondContact NH1-O 3.47Å; V126-T130 WeakPolarHBondContact O-CB 3.41Å; V126-T130 PolarHBondContact O-N 3.45Å; V126-T130 PolarHBondContact O-OG1 3.16Å; F127-T130 PolarHBondContact O-N 3.05Å; T130-S132 VanDerWaalsContact C-N 3.32Å; T130-S132 PolarHBondContact O-N 3.07Å; T130-E133 PolarHBondContact O-N 3.45Å; T130-E134 PolarHBondContact O-N 3.21Å
131W88.7Confident85.7Confident2 Ų244.8 Ų44.81%0.00825%0.248CC..Hα-helixtrans-70.6-30.5178.164.461.2000112.2F62 W65 F77 L78 L81 L124 F127 C128 S129 E133 E134 L135F62-W131 HydrophobicContact CE2-CH2 4.47Å; F62-W131 HydrophobicContact CZ-CH2 4.3Å; F62-W131 HydrophobicContact CZ-CZ3 4.02Å; W65-W131 HydrophobicContact CH2-CG 4.42Å; F77-W131 HydrophobicContact CD1-CB 4.28Å; F77-W131 HydrophobicContact CE1-CB 4.23Å; F77-W131 AromaticContact CE1-CE3 3.9Å; F77-W131 HydrophobicContact CE1-CE3 3.9Å; L78-W131 HydrophobicContact CD1-CB 4.23Å; L78-W131 HydrophobicContact CD2-CB 3.67Å; L78-W131 HydrophobicContact CG-CB 3.86Å; L81-W131 HydrophobicContact CD2-CE3 4.1Å; L81-W131 HydrophobicContact CD2-CZ3 4.31Å; L124-W131 HydrophobicContact CD1-CH2 4.19Å; F127-W131 HydrophobicContact CB-CE3 3.93Å; F127-W131 HydrophobicContact CB-CH2 3.96Å; F127-W131 HydrophobicContact CB-CZ3 3.42Å; F127-W131 VanDerWaalsContact CB-CZ3 3.42Å; F127-W131 HydrophobicContact CD2-CZ3 4.2Å; F127-W131 HydrophobicContact CG-CZ3 4.33Å; F127-W131 PolarHBondContact O-N 3.23Å; C128-W131 VanDerWaalsContact CA-CZ2 3.43Å; C128-W131 HydrophobicContact CB-CH2 4.48Å; C128-W131 HydrophobicContact CB-CZ2 3.91Å; C128-W131 PolarHBondContact O-NE1 3.21Å; C128-W131 WeakPolarHBondContact SG-CZ2 3.5Å; S129-W131 PolarHBondContact O-N 3.2Å; W131-E133 VanDerWaalsContact C-N 3.32Å; W131-E133 PolarHBondContact O-N 2.83Å; W131-E134 PolarHBondContact O-N 2.81Å; W131-E134 VanDerWaalsContact O-N 3.15Å; W131-L135 VanDerWaalsContact O-CG 3.25Å; W131-L135 WeakPolarHBondContact O-CG 3.47Å; W131-L135 PolarHBondContact O-N 2.78Å
132S85.2Confident85.3Confident46 Ų4643.3 Ų43.332%0.32224%0.241SC..Hα-helixtrans-65.3-38.4178.1-62.40000111.6C128 S129 T130 L135 T136C128-S132 WeakPolarHBondContact O-CB 3.31Å; C128-S132 PolarHBondContact O-N 2.93Å; C128-S132 VanDerWaalsContact O-N 3.13Å; C128-S132 PolarHBondContact O-OG 2.89Å; S129-S132 PolarHBondContact O-N 3.24Å; T130-S132 VanDerWaalsContact C-N 3.32Å; T130-S132 PolarHBondContact O-N 3.07Å; S132-L135 PolarHBondContact O-N 2.76Å; S132-T136 WeakPolarHBondContact O-CB 3.36Å; S132-T136 PolarHBondContact O-N 3.06Å; S132-T136 PolarHBondContact O-OG1 3.44Å
133E85.9Confident84.8Confident103 Ų10341.3 Ų41.348%0.48124%0.24SC..Hα-helixtrans-61.1-44.3170.2-71.3169-177.500111.8R108 S129 T130 W131 T136 V137R108-E133 IonicContact CZ-OE2 2.68Å; R108-E133 IonicContact NH1-OE2 3.25Å; R108-E133 PolarHBondContact NH1-OE2 3.24Å; S129-E133 WeakPolarHBondContact O-CG 3.39Å; S129-E133 PolarHBondContact O-N 3.38Å; T130-E133 PolarHBondContact O-N 3.45Å; W131-E133 VanDerWaalsContact C-N 3.32Å; W131-E133 PolarHBondContact O-N 2.83Å; E133-T136 WeakPolarHBondContact O-CB 3.41Å; E133-T136 PolarHBondContact O-N 3.24Å; E133-V137 PolarHBondContact O-N 3.06Å; E133-V137 VanDerWaalsContact O-N 3.12Å
134E89.3Confident84.2Confident6 Ų644.3 Ų44.33%0.02826%0.262CS..Hα-helixtrans-63.6-42.8177.4-69.1-168.6158.400112.6C75 I76 F77 L78 R108 T130 W131 T136 V137 L138C75-E134 VanDerWaalsContact CA-CD 3.49Å; C75-E134 WeakPolarHBondContact CA-OE2 3.42Å; C75-E134 HydrophobicContact CB-CB 4.19Å; C75-E134 HydrophobicContact CB-CG 4.38Å; C75-E134 WeakPolarHBondContact CB-OE2 3.49Å; I76-E134 PolarHBondContact N-OE1 3.16Å; I76-E134 VanDerWaalsContact N-OE1 3.15Å; F77-E134 WeakPolarHBondContact CB-OE1 3.39Å; F77-E134 PolarHBondContact N-OE1 3Å; L78-E134 VanDerWaalsContact CB-OE2 3.24Å; L78-E134 WeakPolarHBondContact CB-OE2 3.12Å; L78-E134 HydrophobicContact CD1-CB 3.85Å; L78-E134 VanDerWaalsContact CG-OE2 3.26Å; L78-E134 WeakPolarHBondContact CG-OE2 3.49Å; L78-E134 PolarHBondContact N-OE2 2.6Å; R108-E134 IonicContact CZ-OE1 2.72Å; R108-E134 IonicContact NH2-OE1 3.31Å; R108-E134 PolarHBondContact NH2-OE1 3.19Å; T130-E134 PolarHBondContact O-N 3.21Å; W131-E134 PolarHBondContact O-N 2.81Å; W131-E134 VanDerWaalsContact O-N 3.15Å; E134-T136 VanDerWaalsContact C-N 3.27Å; E134-T136 PolarHBondContact O-N 3.21Å; E134-V137 PolarHBondContact O-N 3.21Å; E134-L138 PolarHBondContact O-N 3.49Å; E134-L138 VanDerWaalsContact O-N 3.15Å
135L84.5Confident83.4Confident3 Ų348.3 Ų48.32%0.01628%0.281CS..Hα-helixtrans-62.7-37.1175.9-67.6170.6000111W65 F69 L78 W131 S132 L138 K139 F184W65-L135 HydrophobicContact CH2-CD1 4.28Å; W65-L135 HydrophobicContact CZ2-CD1 3.89Å; W65-L135 HydrophobicContact CZ2-CD2 4.19Å; F69-L135 HydrophobicContact CE1-CD2 3.69Å; F69-L135 HydrophobicContact CE2-CD2 4.46Å; F69-L135 HydrophobicContact CZ-CD2 3.48Å; F69-L135 VanDerWaalsContact CZ-CD2 3.48Å; L78-L135 HydrophobicContact CD1-CD2 4.18Å; L78-L135 HydrophobicContact CD1-CG 4.31Å; W131-L135 VanDerWaalsContact O-CG 3.25Å; W131-L135 WeakPolarHBondContact O-CG 3.47Å; W131-L135 PolarHBondContact O-N 2.78Å; S132-L135 PolarHBondContact O-N 2.76Å; L135-L138 PolarHBondContact O-N 3.43Å; L135-K139 WeakPolarHBondContact O-CB 3.17Å; L135-K139 VanDerWaalsContact O-CG 3.31Å; L135-K139 WeakPolarHBondContact O-CG 3.4Å; L135-K139 PolarHBondContact O-N 2.9Å; L135-F184 HydrophobicContact CD2-CE1 4.13Å
136T84.1Confident83Confident72 Ų7249.8 Ų49.844%0.44229%0.286SS..Hα-helixtrans-63.1-42.8176.6-59.70000111.5S132 E133 E134 L138 K139 N140S132-T136 WeakPolarHBondContact O-CB 3.36Å; S132-T136 PolarHBondContact O-N 3.06Å; S132-T136 PolarHBondContact O-OG1 3.44Å; E133-T136 WeakPolarHBondContact O-CB 3.41Å; E133-T136 PolarHBondContact O-N 3.24Å; E134-T136 VanDerWaalsContact C-N 3.27Å; E134-T136 PolarHBondContact O-N 3.21Å; T136-L138 VanDerWaalsContact C-N 3.32Å; T136-L138 PolarHBondContact O-N 3.37Å; T136-K139 PolarHBondContact O-N 3.18Å; T136-N140 WeakPolarHBondContact O-CB 3.49Å; T136-N140 PolarHBondContact O-N 3.25Å; T136-N140 PolarHBondContact O-ND2 3.27Å
137V84.5Confident82.3Confident89 Ų8951.7 Ų51.754%0.53930%0.302SS..Hα-helixtrans-58.7-45.41751740000111E133 E134 N140 A141E133-V137 PolarHBondContact O-N 3.06Å; E133-V137 VanDerWaalsContact O-N 3.12Å; E134-V137 PolarHBondContact O-N 3.21Å; V137-N140 PolarHBondContact O-N 3.38Å; V137-A141 WeakPolarHBondContact O-CB 3.3Å; V137-A141 PolarHBondContact O-N 3.48Å
138L81Confident81.4Confident21 Ų2155.8 Ų55.811%0.1132%0.324CS..Hα-helixtrans-67.4-40.8178-71.5-179.5000113F69 Y72 C75 E134 L135 T136 N140 A141 K142 F184F69-L138 HydrophobicContact CD1-CD1 4.07Å; F69-L138 HydrophobicContact CE1-CD1 3.89Å; Y72-L138 HydrophobicContact CD1-CD1 4.26Å; Y72-L138 HydrophobicContact CD1-CD2 3.78Å; Y72-L138 HydrophobicContact CE1-CD2 4.25Å; C75-L138 WeakPolarHBondContact SG-CD1 3.47Å; C75-L138 WeakPolarHBondContact SG-CG 3.4Å; E134-L138 PolarHBondContact O-N 3.49Å; E134-L138 VanDerWaalsContact O-N 3.15Å; L135-L138 PolarHBondContact O-N 3.43Å; T136-L138 VanDerWaalsContact C-N 3.32Å; T136-L138 PolarHBondContact O-N 3.37Å; L138-N140 VanDerWaalsContact C-N 3.32Å; L138-N140 PolarHBondContact O-N 3.17Å; L138-A141 PolarHBondContact O-N 3.41Å; L138-K142 PolarHBondContact O-N 2.85Å; L138-F184 HydrophobicContact CB-CE2 3.77Å; L138-F184 HydrophobicContact CB-CZ 3.37Å; L138-F184 HydrophobicContact CD1-CZ 4.18Å; L138-F184 HydrophobicContact CG-CZ 4.45Å
139K80.7Confident81Confident75 Ų7558.1 Ų58.133%0.32634%0.337SS..Hα-helixtrans-58.7-45.1174.5-75.3177.3-177.5179.40110.2L135 T136 K142 A143 F184 E190L135-K139 WeakPolarHBondContact O-CB 3.17Å; L135-K139 VanDerWaalsContact O-CG 3.31Å; L135-K139 WeakPolarHBondContact O-CG 3.4Å; L135-K139 PolarHBondContact O-N 2.9Å; T136-K139 PolarHBondContact O-N 3.18Å; K139-K142 PolarHBondContact O-N 3.46Å; K139-A143 PolarHBondContact O-N 3.43Å; K139-F184 HydrophobicContact CD-CD1 4.43Å; K139-F184 HydrophobicContact CD-CE1 4.29Å; K139-F184 HydrophobicContact CG-CD1 3.72Å; K139-F184 HydrophobicContact CG-CE1 3.46Å; K139-F184 VanDerWaalsContact CG-CE1 3.46Å; K139-F184 HydrophobicContact CG-CE2 4.35Å; K139-F184 HydrophobicContact CG-CG 4.29Å; K139-F184 HydrophobicContact CG-CZ 3.81Å; K139-E190 IonicContact NZ-OE1 3.29Å; K139-E190 PolarHBondContact NZ-OE1 2.68Å; K139-E190 IonicContact NZ-OE2 3.35Å; K139-E190 PolarHBondContact NZ-OE2 2.93Å
140N81.7Confident80.5Confident103 Ų10358.1 Ų58.155%0.55134%0.337SS*.Hα-helixtrans-66.8-41.5178.8-68.9-18.1000112.6T136 V137 L138 K142 A143 S144T136-N140 WeakPolarHBondContact O-CB 3.49Å; T136-N140 PolarHBondContact O-N 3.25Å; T136-N140 PolarHBondContact O-ND2 3.27Å; V137-N140 PolarHBondContact O-N 3.38Å; L138-N140 VanDerWaalsContact C-N 3.32Å; L138-N140 PolarHBondContact O-N 3.17Å; N140-K142 VanDerWaalsContact C-N 3.35Å; N140-K142 PolarHBondContact O-N 2.91Å; N140-A143 PolarHBondContact O-N 2.88Å; N140-S144 WeakPolarHBondContact O-CB 3.1Å; N140-S144 PolarHBondContact O-N 3.38Å
141A79.7Confident79.6Confident56 Ų5662.6 Ų62.646%0.46336%0.36SS..Hα-helixtrans-61.4-43.2175.500000111.7V137 L138 S144 M145V137-A141 WeakPolarHBondContact O-CB 3.3Å; V137-A141 PolarHBondContact O-N 3.48Å; L138-A141 PolarHBondContact O-N 3.41Å; A141-S144 PolarHBondContact O-N 3.48Å; A141-M145 WeakPolarHBondContact O-CB 3.32Å; A141-M145 PolarHBondContact O-N 2.95Å
142K75.5Confident78.6Confident50 Ų5068.9 Ų68.922%0.21739%0.387CS..Hα-helixtrans-61.5-46.8175.2-177.5175.7179.2177.20111.7L138 K139 N140 S144 M145 Q146 A181 F184L138-K142 PolarHBondContact O-N 2.85Å; K139-K142 PolarHBondContact O-N 3.46Å; N140-K142 VanDerWaalsContact C-N 3.35Å; N140-K142 PolarHBondContact O-N 2.91Å; K142-S144 VanDerWaalsContact C-N 3.33Å; K142-S144 PolarHBondContact O-N 2.81Å; K142-M145 PolarHBondContact O-N 3.3Å; K142-Q146 HydrophobicContact CG-CG 4.44Å; K142-Q146 WeakPolarHBondContact O-CB 3.44Å; K142-Q146 WeakPolarHBondContact O-CG 3.46Å; K142-Q146 PolarHBondContact O-N 2.87Å; K142-A181 PolarHBondContact NZ-O 3.42Å; K142-F184 HydrophobicContact CD-CD2 3.91Å
143A76.3Confident77.9Confident54 Ų5473.2 Ų73.245%0.44640%0.403SS..Hα-helixtrans-60.9-42.2178.800000111.9K139 N140 Q146 A147K139-A143 PolarHBondContact O-N 3.43Å; N140-A143 PolarHBondContact O-N 2.88Å; A143-Q146 PolarHBondContact O-N 3.39Å; A143-A147 PolarHBondContact O-N 3.06Å
144S78.1Confident76.8Confident69 Ų6977.6 Ų77.648%0.48342%0.415SS..Hα-helixtrans-62.5-45.9175.9-173.60000112N140 A141 K142 Q146 A147 I148N140-S144 WeakPolarHBondContact O-CB 3.1Å; N140-S144 PolarHBondContact O-N 3.38Å; A141-S144 PolarHBondContact O-N 3.48Å; K142-S144 VanDerWaalsContact C-N 3.33Å; K142-S144 PolarHBondContact O-N 2.81Å; S144-Q146 PolarHBondContact O-N 2.85Å; S144-A147 WeakPolarHBondContact O-CB 3.41Å; S144-A147 PolarHBondContact O-N 2.88Å; S144-I148 WeakPolarHBondContact O-CG1 3.16Å; S144-I148 PolarHBondContact O-N 2.93Å
145M72.9Confident75.2Confident120 Ų12083.3 Ų83.359%0.59145%0.446SS*.Hα-helixtrans-62.4-43.3177.1-174.3173.866.100112A141 K142 A147 I148 V149A141-M145 WeakPolarHBondContact O-CB 3.32Å; A141-M145 PolarHBondContact O-N 2.95Å; K142-M145 PolarHBondContact O-N 3.3Å; M145-A147 VanDerWaalsContact C-N 3.32Å; M145-A147 PolarHBondContact O-N 3.23Å; M145-I148 PolarHBondContact O-N 3.4Å; M145-V149 WeakPolarHBondContact O-CG2 3.19Å; M145-V149 PolarHBondContact O-N 2.94Å
146Q76.2Confident73.6Confident104 Ų10489.6 Ų89.649%0.48648%0.478SS..Hα-helixtrans-62.7-38.6176.5-74.3178.3-28.600112.2K142 A143 S144 V149 S150K142-Q146 HydrophobicContact CG-CG 4.44Å; K142-Q146 WeakPolarHBondContact O-CB 3.44Å; K142-Q146 WeakPolarHBondContact O-CG 3.46Å; K142-Q146 PolarHBondContact O-N 2.87Å; A143-Q146 PolarHBondContact O-N 3.39Å; S144-Q146 PolarHBondContact O-N 2.85Å; Q146-V149 PolarHBondContact O-N 2.85Å; Q146-S150 WeakPolarHBondContact O-CB 3.38Å; Q146-S150 PolarHBondContact O-N 3.29Å
147A73.9Confident71.7Confident48 Ų4890.2 Ų90.240%0.39749%0.485SS..Hα-helixtrans-61.5-45174.200000111.4A143 S144 M145 S150 I151A143-A147 PolarHBondContact O-N 3.06Å; S144-A147 WeakPolarHBondContact O-CB 3.41Å; S144-A147 PolarHBondContact O-N 2.88Å; M145-A147 VanDerWaalsContact C-N 3.32Å; M145-A147 PolarHBondContact O-N 3.23Å; A147-S150 PolarHBondContact O-N 3.49Å; A147-S150 PolarHBondContact O-OG 3.43Å; A147-I151 WeakPolarHBondContact O-CG1 3.41Å; A147-I151 PolarHBondContact O-N 2.86Å; A147-I151 VanDerWaalsContact O-N 3.12Å
148I71.3Confident70Confident87 Ų8792.2 Ų92.245%0.44650%0.5SS..Hα-helixtrans-61.6-48.5177.2-66.1166.3000110.9S144 M145 S150 I151 F152S144-I148 WeakPolarHBondContact O-CG1 3.16Å; S144-I148 PolarHBondContact O-N 2.93Å; M145-I148 PolarHBondContact O-N 3.4Å; I148-S150 VanDerWaalsContact C-N 3.27Å; I148-S150 PolarHBondContact O-N 3.39Å; I148-I151 PolarHBondContact O-N 3.39Å; I148-I151 VanDerWaalsContact O-N 3.1Å; I148-F152 HydrophobicContact CG2-CD2 3.65Å; I148-F152 HydrophobicContact CG2-CE2 3.62Å; I148-F152 WeakPolarHBondContact O-CD2 3.34Å; I148-F152 PolarHBondContact O-N 2.91Å
149V76.7Confident68.2Low69 Ų6999.3 Ų99.342%0.41853%0.532SS..Hα-helixtrans-57.2-41.9177.71720000111.2M145 Q146 I151 F152 Q153M145-V149 WeakPolarHBondContact O-CG2 3.19Å; M145-V149 PolarHBondContact O-N 2.94Å; Q146-V149 PolarHBondContact O-N 2.85Å; V149-I151 VanDerWaalsContact C-N 3.33Å; V149-I151 PolarHBondContact O-N 3.5Å; V149-F152 PolarHBondContact O-N 3.49Å; V149-Q153 HydrophobicContact CG1-CG 4.39Å; V149-Q153 WeakPolarHBondContact O-CG 3.42Å; V149-Q153 PolarHBondContact O-N 3.01Å
150S74.1Confident66.4Low44 Ų44104.1 Ų104.131%0.30856%0.556SS.*Hα-helixtrans-65.8-33.3178.677.50000113.4Q146 A147 I148 R154Q146-S150 WeakPolarHBondContact O-CB 3.38Å; Q146-S150 PolarHBondContact O-N 3.29Å; A147-S150 PolarHBondContact O-N 3.49Å; A147-S150 PolarHBondContact O-OG 3.43Å; I148-S150 VanDerWaalsContact C-N 3.27Å; I148-S150 PolarHBondContact O-N 3.39Å; S150-R154 WeakPolarHBondContact O-CG 3.29Å; S150-R154 PolarHBondContact O-N 3.26Å; S150-R154 VanDerWaalsContact O-N 3.14Å
151I71.8Confident64.2Low94 Ų94104.3 Ų104.348%0.48257%0.565SS.*Hα-helixtrans-69.6-44.7175-66.8164.8000110A147 I148 V149 Q153 R154 N155A147-I151 WeakPolarHBondContact O-CG1 3.41Å; A147-I151 PolarHBondContact O-N 2.86Å; A147-I151 VanDerWaalsContact O-N 3.12Å; I148-I151 PolarHBondContact O-N 3.39Å; I148-I151 VanDerWaalsContact O-N 3.1Å; V149-I151 VanDerWaalsContact C-N 3.33Å; V149-I151 PolarHBondContact O-N 3.5Å; I151-Q153 PolarHBondContact O-N 3.15Å; I151-R154 PolarHBondContact O-N 2.82Å; I151-N155 PolarHBondContact O-N 3.25Å; I151-N155 VanDerWaalsContact O-N 3.08Å
152F66.5Low62.3Low133 Ų133109.1 Ų109.158%0.58358%0.583SS**Hα-helixtrans-61.2-43.6176.1-87-78.7000112.1I148 V149 R154 N155 I156I148-F152 HydrophobicContact CG2-CD2 3.65Å; I148-F152 HydrophobicContact CG2-CE2 3.62Å; I148-F152 WeakPolarHBondContact O-CD2 3.34Å; I148-F152 PolarHBondContact O-N 2.91Å; V149-F152 PolarHBondContact O-N 3.49Å; F152-R154 VanDerWaalsContact C-N 3.32Å; F152-R154 PolarHBondContact O-N 3.4Å; F152-N155 PolarHBondContact O-N 2.95Å; F152-I156 WeakPolarHBondContact O-CG1 3.38Å; F152-I156 PolarHBondContact O-N 2.92Å; F152-I156 VanDerWaalsContact O-N 3.15Å
153Q70.5Confident60.3Low138 Ų138115.4 Ų115.465%0.64561%0.611SS**Hα-helixtrans-62.6-36.9177.2-74.6174.6-16.300112.7V149 I151V149-Q153 HydrophobicContact CG1-CG 4.39Å; V149-Q153 WeakPolarHBondContact O-CG 3.42Å; V149-Q153 PolarHBondContact O-N 3.01Å; I151-Q153 PolarHBondContact O-N 3.15Å
154R63.8Low58.4Low194 Ų194120.5 Ų120.573%0.73263%0.625SS**Hα-helixtrans-67.1-37.6174.3-80.4-178.5172.8144.4-1.2112.9S150 I151 F152 I156 S157S150-R154 WeakPolarHBondContact O-CG 3.29Å; S150-R154 PolarHBondContact O-N 3.26Å; S150-R154 VanDerWaalsContact O-N 3.14Å; I151-R154 PolarHBondContact O-N 2.82Å; F152-R154 VanDerWaalsContact C-N 3.32Å; F152-R154 PolarHBondContact O-N 3.4Å; R154-I156 VanDerWaalsContact C-N 3.3Å; R154-I156 PolarHBondContact O-N 2.82Å; R154-S157 PolarHBondContact O-OG 3.26Å
155N54.8Low56.4Low127 Ų127123.2 Ų123.268%0.67963%0.634SS**Hα-helixtrans-75.1-19.5-178.4-71.7-17.2000113.2I151 F152 S157I151-N155 PolarHBondContact O-N 3.25Å; I151-N155 VanDerWaalsContact O-N 3.08Å; F152-N155 PolarHBondContact O-N 2.95Å; N155-S157 PolarHBondContact O-N 2.83Å; N155-S157 VanDerWaalsContact O-N 3.12Å
156I50.7Low54.5Low135 Ų135122.6 Ų122.669%0.69263%0.633SS**  trans-86.566.3169.5-54166.8000108.4F152 R154F152-I156 WeakPolarHBondContact O-CG1 3.38Å; F152-I156 PolarHBondContact O-N 2.92Å; F152-I156 VanDerWaalsContact O-N 3.15Å; R154-I156 VanDerWaalsContact C-N 3.3Å; R154-I156 PolarHBondContact O-N 2.82Å
157S44.9Very low52.4Low85 Ų85123.7 Ų123.759%0.59464%0.642SS**  trans-76.9136.5164.2-73.20000109.2R154 N155 Q159R154-S157 PolarHBondContact O-OG 3.26Å; N155-S157 PolarHBondContact O-N 2.83Å; N155-S157 VanDerWaalsContact O-N 3.12Å; S157-Q159 PolarHBondContact O-N 2.82Å
158P49.3Very low50.5Low130 Ų130127.6 Ų127.684%0.84466%0.656SS**SBendtrans-79.780.9-164.632.3-34.6000111.2
159Q43.1Very low48.9Very low170 Ų170127.2 Ų127.279%0.79466%0.661SS**  trans-120.811171.5-66-159.717.500114.5S157S157-Q159 PolarHBondContact O-N 2.82Å
160H41.7Very low46.9Very low176 Ų176131.5 Ų131.582%0.81568%0.676SS**  trans-123.787.3168.3-85.5-81000110.7N162H160-N162 PolarHBondContact O-N 3.29Å
161S37.2Very low45.1Very low107 Ų107134.1 Ų134.175%0.74869%0.69SS**THydrogen-bonded Turntrans-51.8132.1155.638.90000109.5
162N39.4Very low43.1Very low157 Ų157135.7 Ų135.784%0.8470%0.699SS**THydrogen-bonded Turntrans8916.8168.5-57.5-16.8000120.3H160 Q164H160-N162 PolarHBondContact O-N 3.29Å; N162-Q164 PolarHBondContact O-N 3.43Å
163F33.6Very low41.5Very low183 Ų183134.9 Ų134.980%0.80370%0.701SS**  trans-9197.8156.3-151.9-102.7000109.3L165F163-L165 PolarHBondContact O-N 2.88Å
164Q35Very low39.8Very low161 Ų161137.1 Ų137.175%0.75271%0.711SS**  trans-59.298.4174.9-74.8-177.3-19.500109.2N162 N166N162-Q164 PolarHBondContact O-N 3.43Å; Q164-N166 PolarHBondContact O-N 2.83Å
165L37.4Very low38.4Very low125 Ų125135.4 Ų135.465%0.65472%0.717SS**  trans-72.753176.2-162.376.4000110.8F163 L168F163-L165 PolarHBondContact O-N 2.88Å; L165-L168 HydrophobicContact CD1-CD1 3.94Å; L165-L168 HydrophobicContact CG-CD1 4.41Å
166N33.1Very low37.4Very low108 Ų108132.8 Ų132.858%0.57871%0.708SS**  trans-93.70.4177.3-79.6-3.4000113.1Q164 S169Q164-N166 PolarHBondContact O-N 2.83Å; N166-S169 PolarHBondContact O-OG 3.02Å
167N31.8Very low36.5Very low127 Ų127133.7 Ų133.768%0.67972%0.715SS**SBendtrans-104.1-2.9-175.3-72.4-8.7000115.2
168L34.5Very low36.1Very low130 Ų130137 Ų13768%0.68172%0.721SS**SBendtrans-88.6-12.1173-83.7167.9000113.7L165L165-L168 HydrophobicContact CD1-CD1 3.94Å; L165-L168 HydrophobicContact CG-CD1 4.41Å
169S36.9Very low35.8Very low79 Ų79133.6 Ų133.655%0.55270%0.695SS**SBendtrans-87.4-8.5172.345.50000113.7N166N166-S169 PolarHBondContact O-OG 3.02Å
170Q35.9Very low35.4Very low159 Ų159130.9 Ų130.974%0.74369%0.69SS**SBendtrans-98.20.5176.2-77.9-166.9-3.800114.6N172Q170-N172 PolarHBondContact O-N 3.47Å
171V34.8Very low35.3Very low98 Ų98126.1 Ų126.159%0.59468%0.682SS**  trans-80.851.3157.7-164.60000108.4N173V171-N173 PolarHBondContact O-N 2.91Å
172N30.1Very low35.5Very low128 Ų128124.8 Ų124.868%0.68467%0.672SS**  trans-71.376154-83.3-10.6000105.5Q170 E174Q170-N172 PolarHBondContact O-N 3.47Å; N172-E174 PolarHBondContact O-N 3.06Å
173N32.6Very low36.2Very low116 Ų116124.9 Ų124.962%0.6267%0.668SS**  trans-64.697.7159.6-102.3-27.2000105.5V171 N175 S176V171-N173 PolarHBondContact O-N 2.91Å; N173-N175 PolarHBondContact O-N 3.03Å; N173-S176 PolarHBondContact O-N 3.14Å; N173-S176 PolarHBondContact O-OG 3Å
174E35.1Very low37.2Very low184 Ų184118 Ų11886%0.8664%0.638SS**THydrogen-bonded Turntrans-61.317.5179.5-67.6-175.515100114.3N172N172-E174 PolarHBondContact O-N 3.06Å
175N34.3Very low38.4Very low159 Ų159110.7 Ų110.785%0.8560%0.604SS**THydrogen-bonded Turntrans-127.13178.1-72.9-35.6000114.4N173 N177N173-N175 PolarHBondContact O-N 3.03Å; N175-N177 PolarHBondContact O-N 3.42Å
176S33.4Very low39.6Very low71 Ų71109.8 Ų109.850%0.49760%0.599SS.*  trans-89.177.5174.963.20000110.8N173 E178N173-S176 PolarHBondContact O-N 3.14Å; N173-S176 PolarHBondContact O-OG 3Å; S176-E178 PolarHBondContact O-N 3.1Å
177N33.6Very low41.1Very low155 Ų155105.2 Ų105.283%0.82958%0.575SS**  trans-69.225.7154.2-74.8-24.3000111.3N175 L179N175-N177 PolarHBondContact O-N 3.42Å; N177-L179 PolarHBondContact O-N 2.98Å; N177-L179 VanDerWaalsContact O-N 3.12Å
178E36.6Very low42.6Very low153 Ų153101.3 Ų101.372%0.71556%0.557SS**  trans-68.8107.1173.1-91.1179.3145.200107.9S176 T180S176-E178 PolarHBondContact O-N 3.1Å; E178-T180 PolarHBondContact O-N 3.42Å
179L41.5Very low43.7Very low59 Ų5997 Ų9731%0.30954%0.537SS..  trans-4.694.7167.8-70.2163.6000112.7Y72 N177 A181Y72-L179 HydrophobicContact CE1-CD1 4.31Å; Y72-L179 HydrophobicContact CE2-CD1 4.48Å; Y72-L179 WeakPolarHBondContact OH-CD1 3.41Å; Y72-L179 WeakPolarHBondContact OH-CG 3.38Å; N177-L179 PolarHBondContact O-N 2.98Å; N177-L179 VanDerWaalsContact O-N 3.12Å; L179-A181 PolarHBondContact O-N 3.21Å
180T34.4Very low44.6Very low113 Ų11397.7 Ų97.769%0.69353%0.532SS*.  trans-44.7134.1157.150.40000107.1E178 S182E178-T180 PolarHBondContact O-N 3.42Å; T180-S182 PolarHBondContact O-N 2.87Å; T180-S182 PolarHBondContact O-OG 2.95Å; T180-S182 PolarHBondContact OG1-OG 2.76Å
181A41Very low45Very low77 Ų7792.9 Ų92.964%0.63653%0.525SS*.SBendtrans-53.5-5.1-165.600000116.9K142 L179 E183K142-A181 PolarHBondContact NZ-O 3.42Å; L179-A181 PolarHBondContact O-N 3.21Å; A181-E183 PolarHBondContact O-N 3.26Å
182S40.6Very low45.4Very low79 Ų7994.8 Ų94.855%0.55253%0.531SS*.SBendtrans-61.9113.7169.854.40000112.2T180T180-S182 PolarHBondContact O-N 2.87Å; T180-S182 PolarHBondContact O-OG 2.95Å; T180-S182 PolarHBondContact OG1-OG 2.76Å
183E53.8Low45.9Very low159 Ų15995.1 Ų95.174%0.74353%0.531SS*.  trans47.598.1169.3-91.8170.6157.900116.1R68 A181R68-E183 PolarHBondContact NH2-O 2.75Å; A181-E183 PolarHBondContact O-N 3.26Å
184F56.3Low45.9Very low38 Ų3894.6 Ų94.617%0.16753%0.528CS..  trans-57.2129.6163.1-164.6-84.6000108.2L135 L138 K139 K142 I186L135-F184 HydrophobicContact CD2-CE1 4.13Å; L138-F184 HydrophobicContact CB-CE2 3.77Å; L138-F184 HydrophobicContact CB-CZ 3.37Å; L138-F184 HydrophobicContact CD1-CZ 4.18Å; L138-F184 HydrophobicContact CG-CZ 4.45Å; K139-F184 HydrophobicContact CD-CD1 4.43Å; K139-F184 HydrophobicContact CD-CE1 4.29Å; K139-F184 HydrophobicContact CG-CD1 3.72Å; K139-F184 HydrophobicContact CG-CE1 3.46Å; K139-F184 VanDerWaalsContact CG-CE1 3.46Å; K139-F184 HydrophobicContact CG-CE2 4.35Å; K139-F184 HydrophobicContact CG-CG 4.29Å; K139-F184 HydrophobicContact CG-CZ 3.81Å; K142-F184 HydrophobicContact CD-CD2 3.91Å; F184-I186 PolarHBondContact O-N 3.1Å
185P58.4Low46.2Very low7 Ų790.2 Ų90.25%0.04551%0.514CS..  trans-59.1114-175.920.5-30.3000110F69F69-P185 HydrophobicContact CE1-CG 3.89Å; F69-P185 HydrophobicContact CE2-CG 4.47Å; F69-P185 HydrophobicContact CZ-CB 4.01Å; F69-P185 HydrophobicContact CZ-CG 3.47Å; F69-P185 VanDerWaalsContact CZ-CG 3.47Å
186I63.8Low46.5Very low107 Ų10789.9 Ų89.955%0.54951%0.507SS..  trans-62141.7172.7-58.5171.4000107.3W65 F184 E190W65-I186 PolarHBondContact NE1-O 2.73Å; F184-I186 PolarHBondContact O-N 3.1Å; I186-E190 HydrophobicContact CG2-CB 3.51Å; I186-E190 HydrophobicContact CG2-CG 4.16Å; I186-E190 WeakPolarHBondContact CG2-OE2 3.47Å
187S64.8Low46.9Very low11 Ų1190.4 Ų90.48%0.07751%0.505CS..  trans-59.2137.9175.1169.90000109.1C189 E190S187-C189 PolarHBondContact O-N 2.99Å; S187-C189 PolarHBondContact OG-N 3.4Å; S187-E190 PolarHBondContact N-OE2 3.39Å; S187-E190 VanDerWaalsContact O-CB 3.32Å; S187-E190 WeakPolarHBondContact O-CB 3.45Å; S187-E190 PolarHBondContact O-N 3.38Å
188P62.3Low47.5Very low45 Ų4589.5 Ų89.529%0.29250%0.495SS..THydrogen-bonded Turntrans-58.7-22.4179-26.436.9000112.7F62 W65 L192F62-P188 HydrophobicContact CD2-CB 3.95Å; F62-P188 HydrophobicContact CD2-CG 3.73Å; F62-P188 HydrophobicContact CE2-CB 4.21Å; F62-P188 HydrophobicContact CE2-CG 3.79Å; W65-P188 HydrophobicContact CD2-CG 3.42Å; W65-P188 VanDerWaalsContact CD2-CG 3.42Å; W65-P188 VanDerWaalsContact CE2-CD 3.44Å; W65-P188 HydrophobicContact CE3-CG 3.48Å; W65-P188 VanDerWaalsContact CE3-CG 3.48Å; W65-P188 HydrophobicContact CG-CG 3.97Å; W65-P188 HydrophobicContact CH2-CG 4Å; W65-P188 HydrophobicContact CZ2-CG 3.95Å; W65-P188 HydrophobicContact CZ3-CG 3.76Å; P188-L192 WeakPolarHBondContact O-CD1 3.38Å
189C57.6Low48Very low40 Ų4084.6 Ų84.627%0.2748%0.477SS..THydrogen-bonded Turntrans-103.41.9177.7-50.90000113.1S187 G191 L192S187-C189 PolarHBondContact O-N 2.99Å; S187-C189 PolarHBondContact OG-N 3.4Å; C189-G191 PolarHBondContact O-N 2.75Å; C189-L192 PolarHBondContact O-N 2.89Å; C189-L192 VanDerWaalsContact O-N 3.16Å
190E56.1Low48.5Very low94 Ų9489.8 Ų89.844%0.43951%0.505SS..THydrogen-bonded Turntrans-63.5119.4-178.7-142.3154.3170.700109.5K139 I186 S187 L192K139-E190 IonicContact NZ-OE1 3.29Å; K139-E190 PolarHBondContact NZ-OE1 2.68Å; K139-E190 IonicContact NZ-OE2 3.35Å; K139-E190 PolarHBondContact NZ-OE2 2.93Å; I186-E190 HydrophobicContact CG2-CB 3.51Å; I186-E190 HydrophobicContact CG2-CG 4.16Å; I186-E190 WeakPolarHBondContact CG2-OE2 3.47Å; S187-E190 PolarHBondContact N-OE2 3.39Å; S187-E190 VanDerWaalsContact O-CB 3.32Å; S187-E190 WeakPolarHBondContact O-CB 3.45Å; S187-E190 PolarHBondContact O-N 3.38Å; E190-L192 PolarHBondContact O-N 3.05Å
191G43Very low49.4Very low58 Ų5891 Ų9160%0.59851%0.512SS*.THydrogen-bonded Turntrans75.6-5.8-177.900000115.9C189 N194C189-G191 PolarHBondContact O-N 2.75Å; G191-N194 WeakPolarHBondContact O-CB 3.44Å; G191-N194 PolarHBondContact O-N 3.23Å
192L44.9Very low50.3Low138 Ų13889.9 Ų89.972%0.72350%0.499SS*.THydrogen-bonded Turntrans-80.1-21.4172.7-69.2179.5000112.6P188 C189 E190 N194P188-L192 WeakPolarHBondContact O-CD1 3.38Å; C189-L192 PolarHBondContact O-N 2.89Å; C189-L192 VanDerWaalsContact O-N 3.16Å; E190-L192 PolarHBondContact O-N 3.05Å; L192-N194 PolarHBondContact O-N 3.26Å
193I40.5Very low51Low135 Ų13589 Ų8969%0.69250%0.502SS*.THydrogen-bonded Turntrans-86.639.3161.7-41.6173.8000109V195I193-V195 VanDerWaalsContact C-N 3.35Å
194N32.2Very low51Low105 Ų10587.8 Ų87.856%0.56150%0.501SS*.  trans-9583.8159.5-161.67.3000104.9G191 L192 Q196G191-N194 WeakPolarHBondContact O-CB 3.44Å; G191-N194 PolarHBondContact O-N 3.23Å; L192-N194 PolarHBondContact O-N 3.26Å; N194-Q196 PolarHBondContact O-N 3.27Å
195V41.8Very low51Low92 Ų9293.6 Ų93.656%0.55853%0.526SS*.  trans-6395.5163.1-167.30000104.1I193 N197I193-V195 VanDerWaalsContact C-N 3.35Å; V195-N197 WeakPolarHBondContact CG1-OD1 3.24Å; V195-N197 PolarHBondContact O-N 3.35Å
196Q39.1Very low50.7Low152 Ų152102.4 Ų102.471%0.7157%0.569SS**  trans-65.987169-75-171.6-24.300105.6N194 E198N194-Q196 PolarHBondContact O-N 3.27Å; Q196-E198 PolarHBondContact O-N 2.97Å
197N42.5Very low50.4Low82 Ų82100.2 Ų100.244%0.43956%0.56SS.*  trans-70.783.6175-73.2-29.1000107.3V195 C199 C212V195-N197 WeakPolarHBondContact CG1-OD1 3.24Å; V195-N197 PolarHBondContact O-N 3.35Å; N197-C199 PolarHBondContact O-N 3.02Å; N197-C212 WeakPolarHBondContact ND2-CB 3.46Å; N197-C212 PolarHBondContact ND2-SG 2.85Å; N197-C212 VanDerWaalsContact ND2-SG 3.4Å
198E45.8Very low50.2Low135 Ų135102.9 Ų102.963%0.63158%0.576SS**  trans-73.1105.7163.3-72-172.2178.400107.5Q196 L200Q196-E198 PolarHBondContact O-N 2.97Å; E198-L200 PolarHBondContact O-N 2.87Å
199C46.8Very low49.6Very low50 Ų50105.5 Ų105.534%0.33859%0.587SS.*  trans-66.799.4170.9-1790000108.8N197 T201 C202 G203N197-C199 PolarHBondContact O-N 3.02Å; C199-T201 PolarHBondContact O-N 2.85Å; C199-C202 VanDerWaalsContact CB-SG 3.54Å; C199-C202 PolarHBondContact O-N 2.95Å; C199-C202 PolarHBondContact SG-SG 2.82Å; C199-G203 PolarHBondContact O-N 2.84Å
200L53.7Low49.8Very low169 Ų169109.4 Ų109.489%0.88560%0.601SS**THydrogen-bonded Turntrans-55.2-20.9178.3-66.2173.8000112.8E198E198-L200 PolarHBondContact O-N 2.87Å
201T52.5Low50.1Low138 Ų138109.6 Ų109.685%0.84760%0.602SS**THydrogen-bonded Turntrans-87-33.6-177.8-42.90000113.3C199C199-T201 PolarHBondContact O-N 2.85Å
202C60.6Low51Low54 Ų54108.2 Ų108.237%0.36558%0.583SS.*THydrogen-bonded Turntrans-117.8-0-174.475.80000115.3C199 N204C199-C202 VanDerWaalsContact CB-SG 3.54Å; C199-C202 PolarHBondContact O-N 2.95Å; C199-C202 PolarHBondContact SG-SG 2.82Å; C202-N204 PolarHBondContact O-N 2.78Å
203G55Low51.6Low59 Ų59105.8 Ų105.861%0.60857%0.571SS**SBendtrans57.654.6163.300000114.9C199C199-G203 PolarHBondContact O-N 2.84Å
204N53.4Low52.9Low135 Ų135106.2 Ų106.272%0.72257%0.569SS**SBendtrans86.530.5177.9-56.6-26.3000117.7C202 M206C202-N204 PolarHBondContact O-N 2.78Å; N204-M206 PolarHBondContact O-N 3.23Å
205K57Low54.6Low160 Ų160104.9 Ų104.970%0.69657%0.568SS**  trans-65.5127.3150.5-81.7-177.7172.5-179.50107.7V207K205-V207 PolarHBondContact O-N 2.84Å
206M52.1Low55.7Low191 Ų191104.3 Ų104.394%0.94156%0.559SS**  trans-60.8106167-69.5-178-63.300107N204N204-M206 PolarHBondContact O-N 3.23Å
207V57.5Low57Low61 Ų61101.1 Ų101.137%0.3755%0.546SS..  trans-101135.7170.4-178.80000105.8K205 E211 C212K205-V207 PolarHBondContact O-N 2.84Å; V207-E211 WeakPolarHBondContact CA-OE2 3.18Å; V207-E211 HydrophobicContact CG1-CB 3.44Å; V207-E211 VanDerWaalsContact CG1-CB 3.44Å; V207-E211 HydrophobicContact CG1-CG 4.46Å; V207-E211 WeakPolarHBondContact CG1-OE2 3.46Å; V207-C212 VanDerWaalsContact CG1-SG 3.52Å
208T59.2Low58.3Low67 Ų67103.5 Ų103.541%0.41155%0.554SS.*  trans-74.3159178.374.10000110.6E210 E211 C212T208-E210 VanDerWaalsContact CB-OE2 3.28Å; T208-E210 WeakPolarHBondContact CB-OE2 3.3Å; T208-E210 PolarHBondContact O-N 3.4Å; T208-E210 PolarHBondContact OG1-OE2 2.56Å; T208-E211 PolarHBondContact N-OE2 3.22Å; T208-E211 PolarHBondContact O-N 3.36Å; T208-E211 WeakPolarHBondContact OG1-CG 3.25Å; T208-E211 PolarHBondContact OG1-N 2.95Å; T208-C212 PolarHBondContact O-N 2.87Å
209L50.9Low59Low101 Ų101106.5 Ų106.553%0.52956%0.56SS.*Hα-helixtrans-56.9-38.3175.3178.264.5000110.6C212 L213L209-C212 PolarHBondContact O-N 2.99Å; L209-L213 HydrophobicContact CD1-CD1 3.61Å; L209-L213 HydrophobicContact CD2-CD1 4.36Å; L209-L213 HydrophobicContact CG-CD1 3.6Å; L209-L213 WeakPolarHBondContact O-CB 3.38Å; L209-L213 WeakPolarHBondContact O-CD1 3.42Å; L209-L213 PolarHBondContact O-N 2.78Å
210E61.9Low59.7Low122 Ų122106.8 Ų106.857%0.5756%0.556SS**Hα-helixtrans-60.8-47.5176.9-62.673-16000111.5T208 C212 L213 E214T208-E210 VanDerWaalsContact CB-OE2 3.28Å; T208-E210 WeakPolarHBondContact CB-OE2 3.3Å; T208-E210 PolarHBondContact O-N 3.4Å; T208-E210 PolarHBondContact OG1-OE2 2.56Å; E210-C212 VanDerWaalsContact C-N 3.35Å; E210-C212 PolarHBondContact O-N 2.9Å; E210-L213 PolarHBondContact O-N 2.49Å; E210-E214 WeakPolarHBondContact O-CB 3.35Å; E210-E214 WeakPolarHBondContact O-CG 3.48Å; E210-E214 PolarHBondContact O-N 2.77Å
211E61.9Low60.1Low97 Ų97104 Ų10445%0.45354%0.54SS..Hα-helixtrans-63.6-39.2176.8-71.8171162.700111.9V207 T208 E214 S215V207-E211 WeakPolarHBondContact CA-OE2 3.18Å; V207-E211 HydrophobicContact CG1-CB 3.44Å; V207-E211 VanDerWaalsContact CG1-CB 3.44Å; V207-E211 HydrophobicContact CG1-CG 4.46Å; V207-E211 WeakPolarHBondContact CG1-OE2 3.46Å; T208-E211 PolarHBondContact N-OE2 3.22Å; T208-E211 PolarHBondContact O-N 3.36Å; T208-E211 WeakPolarHBondContact OG1-CG 3.25Å; T208-E211 PolarHBondContact OG1-N 2.95Å; E211-E214 PolarHBondContact O-N 2.82Å; E211-S215 WeakPolarHBondContact O-CB 3.47Å; E211-S215 PolarHBondContact O-N 3Å
212C60.9Low60.8Low30 Ų3099.5 Ų99.520%0.20351%0.513CS..Hα-helixtrans-64.3-42.7174-700000112N197 V207 T208 L209 E210 S215 F216N197-C212 WeakPolarHBondContact ND2-CB 3.46Å; N197-C212 PolarHBondContact ND2-SG 2.85Å; N197-C212 VanDerWaalsContact ND2-SG 3.4Å; V207-C212 VanDerWaalsContact CG1-SG 3.52Å; T208-C212 PolarHBondContact O-N 2.87Å; L209-C212 PolarHBondContact O-N 2.99Å; E210-C212 VanDerWaalsContact C-N 3.35Å; E210-C212 PolarHBondContact O-N 2.9Å; C212-S215 PolarHBondContact O-N 2.79Å; C212-F216 VanDerWaalsContact O-CB 3.31Å; C212-F216 WeakPolarHBondContact O-CB 3.49Å; C212-F216 PolarHBondContact O-N 2.77Å
213L59Low61.1Low87 Ų87103.4 Ų103.446%0.45553%0.53SS..Hα-helixtrans-66.4-42.7176.8-100.9113.4000111.4L209 E210 S215 F216 L217L209-L213 HydrophobicContact CD1-CD1 3.61Å; L209-L213 HydrophobicContact CD2-CD1 4.36Å; L209-L213 HydrophobicContact CG-CD1 3.6Å; L209-L213 WeakPolarHBondContact O-CB 3.38Å; L209-L213 WeakPolarHBondContact O-CD1 3.42Å; L209-L213 PolarHBondContact O-N 2.78Å; E210-L213 PolarHBondContact O-N 2.49Å; L213-S215 VanDerWaalsContact C-N 3.34Å; L213-S215 PolarHBondContact O-N 3.5Å; L213-F216 PolarHBondContact O-N 3.32Å; L213-L217 HydrophobicContact CD2-CD1 4.24Å; L213-L217 VanDerWaalsContact O-CB 3.24Å; L213-L217 WeakPolarHBondContact O-CB 3.33Å; L213-L217 VanDerWaalsContact O-CG 3.22Å; L213-L217 WeakPolarHBondContact O-CG 3.33Å; L213-L217 PolarHBondContact O-N 3.33Å
214E67.8Low61.7Low143 Ų143108.8 Ų108.867%0.66854%0.544SS*.Hα-helixtrans-61-43.8175.8-77.3-179.317800111.3E210 E211 L217 E218E210-E214 WeakPolarHBondContact O-CB 3.35Å; E210-E214 WeakPolarHBondContact O-CG 3.48Å; E210-E214 PolarHBondContact O-N 2.77Å; E211-E214 PolarHBondContact O-N 2.82Å; E214-L217 CarbonylContact O-C 3.58Å; E214-E218 PolarHBondContact O-N 2.81Å
215S67.7Low62.4Low77 Ų77106 Ų10654%0.53853%0.532SS..Hα-helixtrans-65.8-39.8175.3179.60000112.5E211 C212 L213 E218E211-S215 WeakPolarHBondContact O-CB 3.47Å; E211-S215 PolarHBondContact O-N 3Å; C212-S215 PolarHBondContact O-N 2.79Å; L213-S215 VanDerWaalsContact C-N 3.34Å; L213-S215 PolarHBondContact O-N 3.5Å; S215-E218 WeakPolarHBondContact O-CB 3.29Å; S215-E218 PolarHBondContact O-N 3.05Å
216F63.7Low62.7Low80 Ų80101 Ų10135%0.35152%0.521SS..Hα-helixtrans-69.2-38.8178.3-179.4-92.3000112.4C212 L213 E218 R245 L247C212-F216 VanDerWaalsContact O-CB 3.31Å; C212-F216 WeakPolarHBondContact O-CB 3.49Å; C212-F216 PolarHBondContact O-N 2.77Å; L213-F216 PolarHBondContact O-N 3.32Å; F216-E218 PolarHBondContact O-N 2.81Å; F216-R245 HydrophobicContact CE1-CB 4.25Å; F216-R245 HydrophobicContact CZ-CB 4.41Å; F216-L247 HydrophobicContact CD1-CD1 4.24Å; F216-L247 HydrophobicContact CE1-CB 4.42Å; F216-L247 HydrophobicContact CE1-CD1 3.68Å; F216-L247 HydrophobicContact CZ-CD1 3.9Å
217L66.2Low63.2Low85 Ų8593.3 Ų93.345%0.44549%0.485SS..THydrogen-bonded Turntrans-831.4177.1-64.2173.4000112.6L213 E214 R219L213-L217 HydrophobicContact CD2-CD1 4.24Å; L213-L217 VanDerWaalsContact O-CB 3.24Å; L213-L217 WeakPolarHBondContact O-CB 3.33Å; L213-L217 VanDerWaalsContact O-CG 3.22Å; L213-L217 WeakPolarHBondContact O-CG 3.33Å; L213-L217 PolarHBondContact O-N 3.33Å; E214-L217 CarbonylContact O-C 3.58Å; L217-R219 PolarHBondContact O-N 2.97Å
218E70.4Confident63.4Low132 Ų13298 Ų9862%0.61750%0.503SS*.  trans-58.3134.5178.9-165.9173.1-173.700109.6E214 S215 F216 E220E214-E218 PolarHBondContact O-N 2.81Å; S215-E218 WeakPolarHBondContact O-CB 3.29Å; S215-E218 PolarHBondContact O-N 3.05Å; F216-E218 PolarHBondContact O-N 2.81Å; E218-E220 PolarHBondContact O-N 2.99Å; E218-E220 VanDerWaalsContact O-N 3.12Å
219R60.3Low63.7Low199 Ų199102.7 Ų102.775%0.75152%0.518SS*.  trans-66.4111.3-177.7-78.1-177.5-177173.82.4109.1L217 S242L217-R219 PolarHBondContact O-N 2.97Å; R219-S242 WeakPolarHBondContact CB-OG 3.46Å; R219-S242 VanDerWaalsContact CD-OG 3.27Å; R219-S242 WeakPolarHBondContact CD-OG 3.35Å; R219-S242 WeakPolarHBondContact CG-OG 3.43Å
220E61.6Low64.3Low56 Ų56100.3 Ų100.326%0.26251%0.509SS..EExtended strand (participates in β ladder)trans-85.1141.9171.172.5-175.9178.300110.8E218 V222 R243 R245E218-E220 PolarHBondContact O-N 2.99Å; E218-E220 VanDerWaalsContact O-N 3.12Å; E220-V222 HydrophobicContact CG-CG2 4.36Å; E220-R243 HydrophobicContact CG-CB 4.39Å; E220-R243 PolarHBondContact O-N 3.18Å; E220-R245 IonicContact OE1-NE 2.69Å; E220-R245 IonicContact OE2-CZ 2.77Å; E220-R245 IonicContact OE2-NE 3.06Å; E220-R245 PolarHBondContact OE2-NE 3.3Å; E220-R245 IonicContact OE2-NH2 2.75Å; E220-R245 PolarHBondContact OE2-NH2 3.07Å
221M63.6Low64.1Low109 Ų10997.5 Ų97.554%0.53750%0.504SS..EExtended strand (participates in β ladder)trans-81.2125.1170.1-68.7-61-59.400108R240M221-R240 HydrophobicContact CE-CB 3.82Å; M221-R240 HydrophobicContact CE-CG 3.68Å
222V66.3Low63.9Low45 Ų45100.4 Ų100.427%0.27352%0.517SS..  trans-102.2113.2174.2-173.40000107.5E220 V225 R243E220-V222 HydrophobicContact CG-CG2 4.36Å; V222-V225 HydrophobicContact CB-CG2 4.49Å; V222-V225 HydrophobicContact CG1-CB 4.28Å; V222-V225 HydrophobicContact CG1-CG2 3.69Å; V222-R243 HydrophobicContact CG2-CB 3.76Å
223D67.1Low63.7Low135 Ų135104.7 Ų104.772%0.72254%0.538SS*.THydrogen-bonded Turntrans-65.2148174.4-63-37.5000109.9V225D223-V225 VanDerWaalsContact C-N 3.29Å; D223-V225 PolarHBondContact O-N 3.06Å
224D67.5Low63.3Low172 Ų172106 Ų10692%0.9256%0.555SS**THydrogen-bonded Turntrans66.411.6177.7-53-38.7000117.6
225V67.9Low62.6Low77 Ų77107 Ų10747%0.46756%0.564SS.*  trans-113.2123.3172.5-174.20000109.9V222 D223 T241V222-V225 HydrophobicContact CB-CG2 4.49Å; V222-V225 HydrophobicContact CG1-CB 4.28Å; V222-V225 HydrophobicContact CG1-CG2 3.69Å; D223-V225 VanDerWaalsContact C-N 3.29Å; D223-V225 PolarHBondContact O-N 3.06Å; V225-T241 HydrophobicContact CG1-CG2 4.12Å; V225-T241 PolarHBondContact O-OG1 3.28Å
226A64.2Low61.7Low55 Ų55106.1 Ų106.146%0.45556%0.558SS.*  trans-100.1137.7177.200000110.4E228 T241A226-E228 PolarHBondContact O-N 3.49Å; A226-T241 VanDerWaalsContact C-CG2 3.48Å
227C62.7Low60.8Low29 Ų29109.3 Ų109.320%0.19658%0.584CS.*  trans-77.3117.4-179.3-175.30000107.5F229 C230 S231 T241C227-F229 PolarHBondContact O-N 2.93Å; C227-C230 HydrophobicContact CB-CB 3.82Å; C227-C230 PolarHBondContact O-N 3.23Å; C227-C230 PolarHBondContact SG-SG 3.25Å; C227-S231 WeakPolarHBondContact O-CB 3.46Å; C227-S231 PolarHBondContact O-N 3.16Å; C227-S231 PolarHBondContact O-OG 3.08Å; C227-T241 HydrophobicContact CB-CG2 3.37Å
228E60.2Low59.9Low160 Ų160110.2 Ų110.275%0.74859%0.587SS**THydrogen-bonded Turntrans-59.8-30.5179.6-69.1-173.8163.800112.3A226A226-E228 PolarHBondContact O-N 3.49Å
229F65.7Low58.5Low165 Ų165107.9 Ų107.972%0.72458%0.581SS**THydrogen-bonded Turntrans-79.9-46.5177.9-66.6-79000112.7C227 S231 Q232C227-F229 PolarHBondContact O-N 2.93Å; F229-S231 PolarHBondContact O-N 3.39Å; F229-Q232 PolarHBondContact O-N 3.04Å
230C63Low57.9Low51 Ų51105 Ų10535%0.34557%0.57SS.*G310 helixtrans-67.4-24177.5-53.10000112.3C227 Q232 D233C227-C230 HydrophobicContact CB-CB 3.82Å; C227-C230 PolarHBondContact O-N 3.23Å; C227-C230 PolarHBondContact SG-SG 3.25Å; C230-Q232 PolarHBondContact O-N 3.27Å; C230-D233 PolarHBondContact O-N 3.31Å
231S58.2Low57.1Low64 Ų64103.4 Ų103.445%0.44857%0.565SS.*G310 helixtrans-71.4-14.8177.2-58.30000113.5C227 F229C227-S231 WeakPolarHBondContact O-CB 3.46Å; C227-S231 PolarHBondContact O-N 3.16Å; C227-S231 PolarHBondContact O-OG 3.08Å; F229-S231 PolarHBondContact O-N 3.39Å
232Q59.1Low56.2Low157 Ų157100.9 Ų100.973%0.73456%0.558SS**G310 helixtrans-84.5-21.9174.9-68.4-177.810.600112.8F229 C230 S234F229-Q232 PolarHBondContact O-N 3.04Å; C230-Q232 PolarHBondContact O-N 3.27Å; Q232-S234 PolarHBondContact O-N 3.31Å
233D55.4Low55Low120 Ų120106 Ų10664%0.64257%0.572SS**SBendtrans-84.194.4174.1-77.2-28.6000109.5C230 N235 S236C230-D233 PolarHBondContact O-N 3.31Å; D233-N235 PolarHBondContact O-N 3.37Å; D233-S236 PolarHBondContact O-N 3.11Å
234S51.8Low53.8Low116 Ų116103.3 Ų103.381%0.81156%0.564SS**THydrogen-bonded Turntrans-65.622.8-174.564.60000115.9Q232Q232-S234 PolarHBondContact O-N 3.31Å
235N53.2Low52.5Low162 Ų162100.6 Ų100.687%0.86654%0.541SS*.THydrogen-bonded Turntrans-1264.5179.1-96.8-2.4000115D233D233-N235 PolarHBondContact O-N 3.37Å
236S47.3Very low50.9Low59 Ų59101.8 Ų101.841%0.41355%0.548SS..  trans-114.710517056.50000110.9D233 E238D233-S236 PolarHBondContact O-N 3.11Å; S236-E238 PolarHBondContact O-N 3.11Å
237T46.2Very low49.4Very low147 Ų147105.1 Ų105.190%0.90256%0.558SS**SBendtrans-70.616.6171.437.40000113.8
238E46.3Very low47.7Very low105 Ų105113.4 Ų113.449%0.49159%0.585SS.*  trans-125.682.4179.6-65.5-175.5148.100108.2S236 R240S236-E238 PolarHBondContact O-N 3.11Å; E238-R240 HydrophobicContact CB-CG 4.16Å; E238-R240 PolarHBondContact O-N 3.41Å; E238-R240 IonicContact OE1-CZ 3.73Å; E238-R240 VanDerWaalsContact OE1-CZ 3.29Å; E238-R240 IonicContact OE1-NH1 2.75Å; E238-R240 PolarHBondContact OE1-NH1 3.41Å; E238-R240 IonicContact OE1-NH2 3.16Å; E238-R240 PolarHBondContact OE1-NH2 3.18Å; E238-R240 IonicContact OE2-CZ 2.56Å; E238-R240 IonicContact OE2-NH1 3.26Å; E238-R240 PolarHBondContact OE2-NH1 3.2Å; E238-R240 IonicContact OE2-NH2 3.2Å; E238-R240 PolarHBondContact OE2-NH2 2.72Å
239T41.6Very low46.5Very low82 Ų82112.9 Ų112.950%0.50359%0.587SS.*  trans-65.784.4169.747.10000108.7
240R47.3Very low44.8Very low138 Ų138111.4 Ų111.452%0.52159%0.587SS.*  trans-113.2105.4-175.8-77.1-175.2176.8142.714.7109.7M221 E238M221-R240 HydrophobicContact CE-CB 3.82Å; M221-R240 HydrophobicContact CE-CG 3.68Å; E238-R240 HydrophobicContact CB-CG 4.16Å; E238-R240 PolarHBondContact O-N 3.41Å; E238-R240 IonicContact OE1-CZ 3.73Å; E238-R240 VanDerWaalsContact OE1-CZ 3.29Å; E238-R240 IonicContact OE1-NH1 2.75Å; E238-R240 PolarHBondContact OE1-NH1 3.41Å; E238-R240 IonicContact OE1-NH2 3.16Å; E238-R240 PolarHBondContact OE1-NH2 3.18Å; E238-R240 IonicContact OE2-CZ 2.56Å; E238-R240 IonicContact OE2-NH1 3.26Å; E238-R240 PolarHBondContact OE2-NH1 3.2Å; E238-R240 IonicContact OE2-NH2 3.2Å; E238-R240 PolarHBondContact OE2-NH2 2.72Å
241T44.6Very low43.3Very low23 Ų23114.5 Ų114.514%0.14160%0.604CS.*PPolyproline II helixtrans-85.6128.2166.644.40000110.7V225 A226 C227V225-T241 HydrophobicContact CG1-CG2 4.12Å; V225-T241 PolarHBondContact O-OG1 3.28Å; A226-T241 VanDerWaalsContact C-CG2 3.48Å; C227-T241 HydrophobicContact CB-CG2 3.37Å
242S45.5Very low42.3Very low57 Ų57116.3 Ų116.340%0.39961%0.608SS.*EExtended strand (participates in β ladder)trans-100.1129.8165169.50000108.9R219R219-S242 WeakPolarHBondContact CB-OG 3.46Å; R219-S242 VanDerWaalsContact CD-OG 3.27Å; R219-S242 WeakPolarHBondContact CD-OG 3.35Å; R219-S242 WeakPolarHBondContact CG-OG 3.43Å
243R40.6Very low41Very low151 Ų151112.5 Ų112.557%0.5760%0.597SS**EExtended strand (participates in β ladder)trans-99.1134.2172.2-170.9179.6-179.6-176.5-0.5109E220 V222E220-R243 HydrophobicContact CG-CB 4.39Å; E220-R243 PolarHBondContact O-N 3.18Å; V222-R243 HydrophobicContact CG2-CB 3.76Å
244S42.4Very low40Very low80 Ų80107.9 Ų107.956%0.55957%0.572SS**PPolyproline II helixtrans-89128.1167.3-176.70000108.4T246S244-T246 PolarHBondContact O-N 3.08Å
245R39.4Very low39.4Very low115 Ų115110.2 Ų110.243%0.43457%0.57SS.*PPolyproline II helixtrans-72.7121.7177.9-71.4-179.4173.3-170.72.8109.7F216 E220F216-R245 HydrophobicContact CE1-CB 4.25Å; F216-R245 HydrophobicContact CZ-CB 4.41Å; E220-R245 IonicContact OE1-NE 2.69Å; E220-R245 IonicContact OE2-CZ 2.77Å; E220-R245 IonicContact OE2-NE 3.06Å; E220-R245 PolarHBondContact OE2-NE 3.3Å; E220-R245 IonicContact OE2-NH2 2.75Å; E220-R245 PolarHBondContact OE2-NH2 3.07Å
246T34.1Very low38.5Very low101 Ų101108.6 Ų108.662%0.6256%0.56SS**PPolyproline II helixtrans-87137.5167.8-49.60000108.4S244 W248S244-T246 PolarHBondContact O-N 3.08Å; T246-W248 PolarHBondContact O-N 2.74Å
247L32.4Very low38Very low126 Ų126111.2 Ų111.266%0.6656%0.562SS**  trans-66.7103.5179.5-156.4101.7000109.6F216F216-L247 HydrophobicContact CD1-CD1 4.24Å; F216-L247 HydrophobicContact CE1-CB 4.42Å; F216-L247 HydrophobicContact CE1-CD1 3.68Å; F216-L247 HydrophobicContact CZ-CD1 3.9Å
248W28.4Very low37.6Very low202 Ų202106.1 Ų106.177%0.76553%0.529SS*.  trans-99112165.4-6387.8000106.6T246 D250T246-W248 PolarHBondContact O-N 2.74Å; W248-D250 VanDerWaalsContact C-N 3.34Å; W248-D250 PolarHBondContact O-N 2.85Å
249L33.7Very low37.2Very low149 Ų149106 Ų10678%0.7853%0.531SS*.  trans-72.3100.5166-161.173.2000105.6T251L249-T251 PolarHBondContact O-N 2.99Å
250D29.5Very low36.9Very low134 Ų134110.8 Ų110.872%0.71755%0.545SS*.  trans-51.6138.7-174.5-85.6-34.2000111.6W248 I252W248-D250 VanDerWaalsContact C-N 3.34Å; W248-D250 PolarHBondContact O-N 2.85Å; D250-I252 PolarHBondContact O-N 3.48Å
251T32.7Very low36.2Very low117 Ų117108 Ų10872%0.71856%0.56SS**  trans-52101.3177.2-28.10000109.9L249 P253L249-T251 PolarHBondContact O-N 2.99Å; T251-P253 VanDerWaalsContact O-CD 3.24Å; T251-P253 WeakPolarHBondContact O-CD 3.3Å
252I37.8Very low35.7Very low102 Ų102113.4 Ų113.452%0.52359%0.588SS.*  trans-64.9118.2174.2-62.8176000107.5D250 L254 Y257D250-I252 PolarHBondContact O-N 3.48Å; I252-L254 PolarHBondContact O-N 2.76Å; I252-Y257 HydrophobicContact CG2-CD2 4.06Å; I252-Y257 HydrophobicContact CG2-CE2 3.35Å
253P30.2Very low35.3Very low76 Ų76116.1 Ų116.149%0.49461%0.606SS.*  trans-62.3115.6178.3-19.231.3000109.6T251 E255 L256T251-P253 VanDerWaalsContact O-CD 3.24Å; T251-P253 WeakPolarHBondContact O-CD 3.3Å; P253-E255 PolarHBondContact O-N 2.77Å; P253-E255 VanDerWaalsContact O-N 3.08Å; P253-L256 HydrophobicContact CB-CD1 4.32Å; P253-L256 HydrophobicContact CG-CD1 4.28Å; P253-L256 PolarHBondContact O-N 3Å; P253-L256 VanDerWaalsContact O-N 3.16Å
254L35.9Very low34.9Very low24 Ų24113.8 Ų113.813%0.12661%0.613CS.*G310 helixtrans-55.1-30.7-175.9-135.290.6000112.3I252 L256 Y257 L258 L277 A326 V329I252-L254 PolarHBondContact O-N 2.76Å; L254-L256 PolarHBondContact O-N 3.32Å; L254-Y257 PolarHBondContact O-N 2.62Å; L254-L258 HydrophobicContact CD2-CD1 4.02Å; L254-L258 HydrophobicContact CD2-CG 4.37Å; L254-L258 WeakPolarHBondContact O-CG 3.15Å; L254-L258 PolarHBondContact O-N 3.24Å; L254-L277 HydrophobicContact CD2-CD2 4.37Å; L254-A326 HydrophobicContact CD1-CB 3.94Å; L254-V329 HydrophobicContact CD1-CG1 4.21Å; L254-V329 HydrophobicContact CD1-CG2 3.59Å
255E37.9Very low34.5Very low164 Ų164115.3 Ų115.377%0.76662%0.624SS**G310 helixtrans-57.3-30.1-178.7-66.6179.5160.700113.3P253 Y257 L258P253-E255 PolarHBondContact O-N 2.77Å; P253-E255 VanDerWaalsContact O-N 3.08Å; E255-Y257 PolarHBondContact O-N 2.88Å; E255-L258 PolarHBondContact O-N 2.86Å
256L34.7Very low34.2Very low128 Ų128116.3 Ų116.367%0.6764%0.643SS**G310 helixtrans-66.1-20.5178-81.5154.1000113.3P253 L254P253-L256 HydrophobicContact CB-CD1 4.32Å; P253-L256 HydrophobicContact CG-CD1 4.28Å; P253-L256 PolarHBondContact O-N 3Å; P253-L256 VanDerWaalsContact O-N 3.16Å; L254-L256 PolarHBondContact O-N 3.32Å
257Y37.6Very low34.4Very low114 Ų114119.6 Ų119.645%0.44766%0.657SS.*THydrogen-bonded Turntrans-112.9-11.9-177.7-59.8-88000113.2I252 L254 E255 L259 Q273I252-Y257 HydrophobicContact CG2-CD2 4.06Å; I252-Y257 HydrophobicContact CG2-CE2 3.35Å; L254-Y257 PolarHBondContact O-N 2.62Å; E255-Y257 PolarHBondContact O-N 2.88Å; Y257-L259 VanDerWaalsContact C-N 3.33Å; Y257-L259 PolarHBondContact O-N 2.85Å; Y257-Q273 PolarHBondContact O-NE2 3.24Å
258L36.3Very low34.6Very low41 Ų41120.7 Ų120.722%0.21566%0.663CS.*  trans-86.371.2170-65.6-176.4000109.5L254 E255 K260 F318L254-L258 HydrophobicContact CD2-CD1 4.02Å; L254-L258 HydrophobicContact CD2-CG 4.37Å; L254-L258 WeakPolarHBondContact O-CG 3.15Å; L254-L258 PolarHBondContact O-N 3.24Å; E255-L258 PolarHBondContact O-N 2.86Å; L258-K260 VanDerWaalsContact C-N 3.33Å; L258-K260 PolarHBondContact O-N 3.21Å; L258-F318 HydrophobicContact CD2-CZ 3.81Å
259L38.6Very low35.4Very low101 Ų101116.7 Ų116.753%0.52966%0.661SS.*  trans-62.1105.5161-71.7172.8000106.7Y257 G261Y257-L259 VanDerWaalsContact C-N 3.33Å; Y257-L259 PolarHBondContact O-N 2.85Å; L259-G261 PolarHBondContact O-N 3.31Å
260K35.2Very low36Very low183 Ų183116.6 Ų116.680%0.79667%0.667SS**  trans-49.2111.5-179.1-82.5176.7172.9176.50109.2L258 D262L258-K260 VanDerWaalsContact C-N 3.33Å; L258-K260 PolarHBondContact O-N 3.21Å; K260-D262 PolarHBondContact O-N 2.8Å
261G32.1Very low36.9Very low80 Ų80112.1 Ų112.183%0.82565%0.652SS**  trans-71.569.3157.900000108.8L259L259-G261 PolarHBondContact O-N 3.31Å
262D35.5Very low38.2Very low136 Ų136110.4 Ų110.473%0.72764%0.635SS**  trans-103.3120.4165.9-113.4-20.5000109.1K260 S264K260-D262 PolarHBondContact O-N 2.8Å; D262-S264 PolarHBondContact O-N 3.45Å
263S36.7Very low39.3Very low114 Ų114109.2 Ų109.280%0.79763%0.627SS**  trans-69.496.6-178.6-56.60000108.4
264S32.4Very low41.3Very low102 Ų102108.5 Ų108.571%0.71362%0.619SS**  trans-179.1103.6155.8-80.80000111.1D262 T266D262-S264 PolarHBondContact O-N 3.45Å; S264-T266 PolarHBondContact O-N 3.41Å
265S33.8Very low43.1Very low112 Ų112112 Ų11278%0.78363%0.631SS**  trans25.491141.461.40000118.1
266T33.4Very low45.3Very low136 Ų136107.9 Ų107.983%0.83461%0.608SS**  trans-156.5117.4136.945.30000109S264 D268S264-T266 PolarHBondContact O-N 3.41Å; T266-D268 PolarHBondContact O-N 3.45Å
267N38.1Very low47.8Very low170 Ų170102 Ų10291%0.90958%0.578SS**  trans-63.895.8171.6-67.4-31.4000109.9
268D37Very low50.3Low149 Ų14997.2 Ų97.280%0.79756%0.559SS**  trans-175.4153.4141.3-128.4-28.3000111T266T266-D268 PolarHBondContact O-N 3.45Å
269V44.6Very low53.1Low119 Ų11995.2 Ų95.272%0.72155%0.549SS*.  trans85.672.5-177.5-161.10000115.6G271V269-G271 PolarHBondContact O-N 2.97Å
270T45.4Very low55.7Low147 Ų14790.4 Ų90.490%0.90252%0.524SS*.  918.1120.752.30000122.6K272T270-K272 PolarHBondContact O-N 3.46Å
271G49.9Very low58.5Low39 Ų3981.7 Ų81.740%0.40249%0.486SS..  trans-87.282.3173.300000111.3V269 Q273V269-G271 PolarHBondContact O-N 2.97Å; G271-Q273 PolarHBondContact O-N 3.23Å; G271-Q273 VanDerWaalsContact O-N 3.1Å
272K58.8Low61.4Low82 Ų8278.4 Ų78.436%0.35745%0.45SS..  trans-59.3116.3174.7-149.9178.6-153.5-175.30108.4T270 L274 A337 T340T270-K272 PolarHBondContact O-N 3.46Å; K272-L274 HydrophobicContact CB-CD2 4.22Å; K272-L274 HydrophobicContact CD-CD2 4.27Å; K272-L274 HydrophobicContact CG-CD2 4.36Å; K272-L274 WeakPolarHBondContact O-CG 3.29Å; K272-L274 PolarHBondContact O-N 3.04Å; K272-A337 HydrophobicContact CD-CB 4.43Å; K272-A337 WeakPolarHBondContact CD-O 3.36Å; K272-A337 WeakPolarHBondContact CE-O 3.48Å; K272-A337 HydrophobicContact CG-CB 4.25Å; K272-A337 PolarHBondContact NZ-O 3.18Å; K272-T340 VanDerWaalsContact CE-OG1 3.3Å; K272-T340 WeakPolarHBondContact CE-OG1 3.4Å; K272-T340 PolarHBondContact NZ-OG1 3.19Å
273Q61.7Low64.1Low77 Ų7774.5 Ų74.536%0.3643%0.427SS..  trans-65.595.6177.6-175.788.553.200108.8Y257 G271 Y275 A337Y257-Q273 PolarHBondContact O-NE2 3.24Å; G271-Q273 PolarHBondContact O-N 3.23Å; G271-Q273 VanDerWaalsContact O-N 3.1Å; Q273-Y275 PolarHBondContact NE2-O 3.2Å; Q273-A337 WeakPolarHBondContact O-CB 3.38Å
274L71.1Confident66.6Low61 Ų6173.5 Ų73.532%0.31941%0.41SS..  trans-83.2-21.6-177.2-62.8-176.3000113.1K272 R333 D334 A337 F338K272-L274 HydrophobicContact CB-CD2 4.22Å; K272-L274 HydrophobicContact CD-CD2 4.27Å; K272-L274 HydrophobicContact CG-CD2 4.36Å; K272-L274 WeakPolarHBondContact O-CG 3.29Å; K272-L274 PolarHBondContact O-N 3.04Å; L274-R333 CarbonylContact O-C 3.55Å; L274-R333 VanDerWaalsContact O-CA 3.29Å; L274-R333 WeakPolarHBondContact O-CA 3.33Å; L274-R333 WeakPolarHBondContact O-CG 3.45Å; L274-D334 PolarHBondContact O-N 3.33Å; L274-A337 HydrophobicContact CD2-CB 4.11Å; L274-F338 HydrophobicContact CD1-CE2 4.47Å; L274-F338 HydrophobicContact CD2-CD2 4.25Å; L274-F338 HydrophobicContact CD2-CE2 3.79Å; L274-F338 HydrophobicContact CD2-CZ 4.45Å
275Y75.5Confident69.2Low97 Ų9771.5 Ų71.538%0.3841%0.405SS..EExtended strand (participates in β ladder)trans-132.3141.8-175.1-66.4-87.2000110.6Q273 E332 R333Q273-Y275 PolarHBondContact NE2-O 3.2Å; Y275-E332 CarbonylContact C-O 3.48Å; Y275-E332 WeakPolarHBondContact CA-O 3.23Å; Y275-R333 HydrophobicContact CD1-CB 4.1Å; Y275-R333 HydrophobicContact CE1-CB 3.88Å; Y275-R333 HydrophobicContact CE1-CG 4.36Å; Y275-R333 PolarHBondContact OH-NH2 3.24Å
276R82.2Confident71.4Confident77 Ų7768.9 Ų68.929%0.29139%0.387SS..EExtended strand (participates in β ladder)trans-116.4129.3178.3-170.5170.3179.7-159.4-11.2109.9Q278 E302 Y331 E332R276-Q278 PolarHBondContact O-N 2.65Å; R276-E302 IonicContact CZ-OE2 3.4Å; R276-E302 VanDerWaalsContact CZ-OE2 3.26Å; R276-E302 IonicContact NH1-OE2 3.13Å; R276-E302 PolarHBondContact NH1-OE2 3.08Å; R276-E302 IonicContact NH2-OE2 3.28Å; R276-E302 PolarHBondContact NH2-OE2 2.89Å; R276-Y331 VanDerWaalsContact C-CD1 3.43Å; R276-Y331 WeakPolarHBondContact O-CA 3.09Å; R276-E332 PolarHBondContact N-O 3.36Å; R276-E332 PolarHBondContact O-N 3.5Å
277L87.2Confident73.2Confident6 Ų669.8 Ų69.83%0.03139%0.392CS..EExtended strand (participates in β ladder)trans-65.3122.9174.8-179.466.5000109.3L254 V280 R297 W305 F318 V321 V329 Y331L254-L277 HydrophobicContact CD2-CD2 4.37Å; L277-V280 HydrophobicContact CD1-CG2 3.89Å; L277-V280 HydrophobicContact CD2-CG2 3.94Å; L277-V280 HydrophobicContact CG-CG2 4.31Å; L277-R297 VanDerWaalsContact O-CZ 3.3Å; L277-R297 PolarHBondContact O-NE 3.36Å; L277-R297 PolarHBondContact O-NH2 3.1Å; L277-W305 HydrophobicContact CD2-CH2 3.88Å; L277-W305 HydrophobicContact CD2-CZ2 4.21Å; L277-W305 HydrophobicContact CG-CH2 3.82Å; L277-W305 HydrophobicContact CG-CZ2 4.35Å; L277-F318 HydrophobicContact CD2-CE2 4.39Å; L277-V321 HydrophobicContact CD2-CG1 4.4Å; L277-V329 HydrophobicContact CD1-CG1 3.11Å; L277-Y331 HydrophobicContact CB-CD1 4.08Å; L277-Y331 HydrophobicContact CB-CE1 3.54Å; L277-Y331 HydrophobicContact CD1-CD2 4.21Å; L277-Y331 HydrophobicContact CD1-CE1 4.08Å; L277-Y331 HydrophobicContact CD1-CE2 3.75Å; L277-Y331 HydrophobicContact CG-CE1 4.39Å; L277-Y331 VanDerWaalsContact N-CD1 3.33Å
278Q90.9Very high74.8Confident12 Ų1266.4 Ų66.46%0.05638%0.382CS..EExtended strand (participates in β ladder)trans-102.8-46.9-179.3-65.7-62.712.700112.3S58 R276 R296 R297 W305 F330 E332S58-Q278 PolarHBondContact OG-O 2.85Å; R276-Q278 PolarHBondContact O-N 2.65Å; Q278-R296 WeakPolarHBondContact O-CA 3.43Å; Q278-R297 PolarHBondContact O-N 3.25Å; Q278-W305 WeakPolarHBondContact O-CH2 3.12Å; Q278-F330 PolarHBondContact N-O 2.97Å; Q278-E332 HydrophobicContact CG-CB 3.65Å; Q278-E332 PolarHBondContact NE2-OE2 3.2Å
279A95.3Very high76.8Confident0 Ų062.4 Ų62.40%037%0.365CS..EExtended strand (participates in β ladder)trans-148.8156.4179.600000112.7T294 Y295 R296 F330A279-T294 HydrophobicContact CB-CG2 4.2Å; A279-Y295 CarbonylContact C-O 3.4Å; A279-Y295 WeakPolarHBondContact CA-O 3.4Å; A279-Y295 WeakPolarHBondContact CB-O 2.94Å; A279-R296 HydrophobicContact CB-CB 3.7Å; A279-F330 HydrophobicContact CB-CB 4.15Å; A279-F330 HydrophobicContact CB-CD2 4.04Å; A279-F330 HydrophobicContact CB-CG 4.41Å; A279-F330 PolarHBondContact N-O 3.45Å; A279-F330 PolarHBondContact O-N 3.47Å
280V92.8Very high78.7Confident0 Ų057.7 Ų57.70%034%0.34CS..EExtended strand (participates in β ladder)trans-132.7123.8173.5-174.70000108.2L277 V282 Y295 V321 A326 M328 V329L277-V280 HydrophobicContact CD1-CG2 3.89Å; L277-V280 HydrophobicContact CD2-CG2 3.94Å; L277-V280 HydrophobicContact CG-CG2 4.31Å; V280-V282 HydrophobicContact CG1-CG2 4.13Å; V280-Y295 PolarHBondContact N-O 3.21Å; V280-Y295 PolarHBondContact O-N 3.02Å; V280-V321 HydrophobicContact CG2-CG1 3.94Å; V280-A326 HydrophobicContact CG1-CB 3.5Å; V280-A326 VanDerWaalsContact CG1-CB 3.5Å; V280-M328 CarbonylContact C-O 3.49Å; V280-V329 HydrophobicContact CG2-CG1 4.37Å
281I94.9Very high81Confident0 Ų052.8 Ų52.80%031%0.307CS..EExtended strand (participates in β ladder)trans-90.1129.8168.3-61.2179.3000107.6A51 V120 F292 V293 T294 Y327 M328 F330A51-I281 HydrophobicContact CB-CD1 4.32Å; A51-I281 HydrophobicContact CB-CG2 4.09Å; A51-I281 WeakPolarHBondContact O-CD1 3.22Å; V120-I281 HydrophobicContact CG1-CD1 3.77Å; I281-F292 HydrophobicContact CG2-CB 4.48Å; I281-F292 HydrophobicContact CG2-CD1 3.81Å; I281-V293 WeakPolarHBondContact CA-O 3.41Å; I281-T294 HydrophobicContact CG1-CG2 4.41Å; I281-Y327 HydrophobicContact CG2-CD1 4.36Å; I281-Y327 WeakPolarHBondContact O-CB 3.48Å; I281-Y327 PolarHBondContact O-N 2.84Å; I281-M328 HydrophobicContact CB-CB 4.17Å; I281-M328 HydrophobicContact CD1-CB 4.47Å; I281-M328 HydrophobicContact CD1-SD 4.27Å; I281-M328 PolarHBondContact N-O 2.93Å; I281-M328 PolarHBondContact O-N 2.93Å; I281-F330 HydrophobicContact CD1-CE2 3.67Å; I281-F330 HydrophobicContact CD1-CZ 4.23Å; I281-F330 HydrophobicContact CG1-CE2 3.99Å
282V92.2Very high83.1Confident11 Ų1151.6 Ų51.67%0.06729%0.291CS..EExtended strand (participates in β ladder)trans-116.2134.1176.7179.90000108.3V280 Q284 F292 V293 Y295 C324V280-V282 HydrophobicContact CG1-CG2 4.13Å; V282-Q284 HydrophobicContact CG1-CG 4.25Å; V282-F292 WeakPolarHBondContact O-CA 3.46Å; V282-V293 PolarHBondContact N-O 3.13Å; V282-V293 PolarHBondContact O-N 3.28Å; V282-Y295 HydrophobicContact CB-CE2 4.41Å; V282-Y295 HydrophobicContact CG2-CD2 3.89Å; V282-Y295 HydrophobicContact CG2-CE2 3.54Å; V282-C324 HydrophobicContact CG2-CB 3.97Å; V282-C324 VanDerWaalsContact CG2-SG 3.59Å
283H92.1Very high84.9Confident53 Ų5347.8 Ų47.825%0.24528%0.275CS..EExtended strand (participates in β ladder)trans-96.3124.4170.6-176.4-119.6000109.5S286 G290 F292 Y327H283-S286 PolarHBondContact CE1-O 3.18Å; H283-S286 VanDerWaalsContact CE1-O 3.29Å; H283-G290 WeakPolarHBondContact NE2-CA 3.35Å; H283-F292 HydrophobicContact CB-CD1 3.98Å; H283-F292 HydrophobicContact CB-CE1 3.68Å; H283-F292 HydrophobicContact CB-CZ 4.4Å; H283-F292 AromaticContact CD2-CD1 3.84Å; H283-F292 AromaticContact CD2-CE1 3.49Å; H283-F292 VanDerWaalsContact CD2-CE1 3.49Å; H283-F292 WeakPolarHBondContact CD2-CE1 3.36Å; H283-F292 AromaticContact CD2-CE2 3.69Å; H283-F292 AromaticContact CD2-CZ 3.4Å; H283-F292 VanDerWaalsContact CD2-CZ 3.4Å; H283-F292 WeakPolarHBondContact CD2-CZ 3.44Å; H283-F292 AromaticContact CG-CE1 3.81Å; H283-Y327 HydrophobicContact CB-CD2 4.3Å; H283-Y327 HydrophobicContact CB-CG 4.32Å
284Q89.7Confident86.6Confident94 Ų9444.1 Ų44.144%0.43926%0.258SS..EExtended strand (participates in β ladder)trans-111.6105.2178.9-62.1178.3-5.200109V282 G290 H291V282-Q284 HydrophobicContact CG1-CG 4.25Å; Q284-G290 CarbonylContact O-C 3.57Å; Q284-G290 WeakPolarHBondContact O-CA 3.48Å; Q284-H291 PolarHBondContact N-O 3.4Å; Q284-H291 PolarHBondContact O-N 2.67Å
285G86Confident87.8Confident59 Ų5941.7 Ų41.761%0.60824%0.244SC*.EExtended strand (participates in β ladder)trans148.9-168.5179.900000113.4S289G285-S289 CarbonylContact C-O 2.86Å; G285-S289 VanDerWaalsContact CA-O 3.3Å; G285-S289 WeakPolarHBondContact CA-O 3.4Å
286S80.6Confident88.8Confident58 Ų5837.1 Ų37.141%0.40623%0.226SC..EExtended strand (participates in β ladder)trans-87.2171.4170.669.70000110.8H283 S288 S289H283-S286 PolarHBondContact CE1-O 3.18Å; H283-S286 VanDerWaalsContact CE1-O 3.29Å; S286-S288 PolarHBondContact O-N 3.43Å; S286-S288 PolarHBondContact OG-N 2.8Å; S286-S288 PolarHBondContact OG-OG 3.47Å; S286-S289 PolarHBondContact N-O 3.44Å; S286-S289 CarbonylContact O-C 3.53Å; S286-S289 PolarHBondContact O-N 3.41Å; S286-S289 PolarHBondContact OG-N 2.9Å; S286-S289 PolarHBondContact OG-O 3.18Å
287V72.2Confident89.3Confident154 Ų15435 Ų3593%0.93322%0.218SC*.THydrogen-bonded Turntrans-58.4-27.9174-176.90000112.7
288S70.7Confident89.4Confident100 Ų10034.9 Ų34.970%0.69922%0.218SC*.THydrogen-bonded Turntrans-95.8-18.8-178.9580000114.3Q117 S286Q117-S288 PolarHBondContact OE1-O 3.48Å; S286-S288 PolarHBondContact O-N 3.43Å; S286-S288 PolarHBondContact OG-N 2.8Å; S286-S288 PolarHBondContact OG-OG 3.47Å
289S78.5Confident89.2Confident65 Ų6536.3 Ų36.346%0.45523%0.226SC..EExtended strand (participates in β ladder)trans-150.9116.4-179-171.90000112.5Q117 G285 S286Q117-S289 PolarHBondContact NE2-OG 3.23Å; G285-S289 CarbonylContact C-O 2.86Å; G285-S289 VanDerWaalsContact CA-O 3.3Å; G285-S289 WeakPolarHBondContact CA-O 3.4Å; S286-S289 PolarHBondContact N-O 3.44Å; S286-S289 CarbonylContact O-C 3.53Å; S286-S289 PolarHBondContact O-N 3.41Å; S286-S289 PolarHBondContact OG-N 2.9Å; S286-S289 PolarHBondContact OG-O 3.18Å
290G85.8Confident88.7Confident19 Ų1940 Ų4020%0.19625%0.245CC..EExtended strand (participates in β ladder)trans-160.9-17917300000115.9Q117 H283 Q284Q117-G290 VanDerWaalsContact OE1-N 3.17Å; H283-G290 WeakPolarHBondContact NE2-CA 3.35Å; Q284-G290 CarbonylContact O-C 3.57Å; Q284-G290 WeakPolarHBondContact O-CA 3.48Å
291H92.3Very high88.3Confident44 Ų4441.2 Ų41.220%0.20425%0.251CS..EExtended strand (participates in β ladder)trans-129.3132.5-177.2-176.755.6000110.1C47 Q284 S309 D310C47-H291 VanDerWaalsContact CB-CE1 3.47Å; C47-H291 WeakPolarHBondContact CB-CE1 2.74Å; C47-H291 WeakPolarHBondContact CB-ND1 3.13Å; Q284-H291 PolarHBondContact N-O 3.4Å; Q284-H291 PolarHBondContact O-N 2.67Å; H291-S309 PolarHBondContact NE2-OG 2.88Å; H291-D310 IonicContact CE1-OD2 2.67Å; H291-D310 PolarHBondContact CE1-OD2 2.85Å; H291-D310 VanDerWaalsContact CE1-OD2 3.25Å
292F94.8Very high87.9Confident15 Ų1543.4 Ų43.47%0.06626%0.262CS..EExtended strand (participates in β ladder)trans-94.2131.5177.4-69.7-82.8000110.8F48 A51 V120 I281 V282 H283 Y327F48-F292 HydrophobicContact CB-CD2 3.73Å; F48-F292 HydrophobicContact CB-CE2 3.99Å; A51-F292 HydrophobicContact CB-CB 3.59Å; V120-F292 HydrophobicContact CB-CD1 4.44Å; V120-F292 HydrophobicContact CB-CE1 4.15Å; V120-F292 HydrophobicContact CB-CZ 4.4Å; V120-F292 HydrophobicContact CG2-CB 4.37Å; V120-F292 HydrophobicContact CG2-CD1 3.5Å; V120-F292 HydrophobicContact CG2-CD2 3.84Å; V120-F292 HydrophobicContact CG2-CE1 3.55Å; V120-F292 HydrophobicContact CG2-CE2 3.89Å; V120-F292 HydrophobicContact CG2-CG 3.63Å; V120-F292 HydrophobicContact CG2-CZ 3.75Å; I281-F292 HydrophobicContact CG2-CB 4.48Å; I281-F292 HydrophobicContact CG2-CD1 3.81Å; V282-F292 WeakPolarHBondContact O-CA 3.46Å; H283-F292 HydrophobicContact CB-CD1 3.98Å; H283-F292 HydrophobicContact CB-CE1 3.68Å; H283-F292 HydrophobicContact CB-CZ 4.4Å; H283-F292 AromaticContact CD2-CD1 3.84Å; H283-F292 AromaticContact CD2-CE1 3.49Å; H283-F292 VanDerWaalsContact CD2-CE1 3.49Å; H283-F292 WeakPolarHBondContact CD2-CE1 3.36Å; H283-F292 AromaticContact CD2-CE2 3.69Å; H283-F292 AromaticContact CD2-CZ 3.4Å; H283-F292 VanDerWaalsContact CD2-CZ 3.4Å; H283-F292 WeakPolarHBondContact CD2-CZ 3.44Å; H283-F292 AromaticContact CG-CE1 3.81Å; F292-Y327 AromaticContact CE1-CD1 3.94Å; F292-Y327 HydrophobicContact CE1-CD1 3.94Å; F292-Y327 HydrophobicContact CE1-CD2 4.44Å; F292-Y327 HydrophobicContact CE1-CE1 4.09Å; F292-Y327 HydrophobicContact CE1-CG 4.16Å
293V96.3Very high87.6Confident2 Ų251.8 Ų51.81%0.01229%0.292CS..EExtended strand (participates in β ladder)trans-125.4139.7177.1-179.20000108.2I281 V282 Y295 S307 L308I281-V293 WeakPolarHBondContact CA-O 3.41Å; V282-V293 PolarHBondContact N-O 3.13Å; V282-V293 PolarHBondContact O-N 3.28Å; V293-Y295 HydrophobicContact CG1-CD1 4.1Å; V293-Y295 HydrophobicContact CG1-CE1 3.64Å; V293-S307 WeakPolarHBondContact CG1-OG 3.3Å; V293-L308 WeakPolarHBondContact CG1-O 3.48Å
294T97.8Very high87.5Confident0 Ų053.7 Ų53.70%030%0.298CS..EExtended strand (participates in β ladder)trans-107.7126.3174.5-59.40000110.8A51 Q54 A279 I281 R296 L308A51-T294 WeakPolarHBondContact CA-OG1 3.33Å; A51-T294 WeakPolarHBondContact CB-OG1 3.46Å; A51-T294 PolarHBondContact O-OG1 3.5Å; Q54-T294 HydrophobicContact CB-CG2 3.77Å; A279-T294 HydrophobicContact CB-CG2 4.2Å; I281-T294 HydrophobicContact CG1-CG2 4.41Å; T294-R296 HydrophobicContact CG2-CB 4.28Å; T294-L308 PolarHBondContact N-O 3.17Å; T294-L308 WeakPolarHBondContact O-CB 3.33Å; T294-L308 PolarHBondContact O-N 2.89Å
295Y96.7Very high87.7Confident9 Ų949.5 Ų49.54%0.03528%0.278CS..EExtended strand (participates in β ladder)trans-95123164.1-53.6-26.7000107.9A279 V280 V282 V293 V306 S307 I316 V321 C324A279-Y295 CarbonylContact C-O 3.4Å; A279-Y295 WeakPolarHBondContact CA-O 3.4Å; A279-Y295 WeakPolarHBondContact CB-O 2.94Å; V280-Y295 PolarHBondContact N-O 3.21Å; V280-Y295 PolarHBondContact O-N 3.02Å; V282-Y295 HydrophobicContact CB-CE2 4.41Å; V282-Y295 HydrophobicContact CG2-CD2 3.89Å; V282-Y295 HydrophobicContact CG2-CE2 3.54Å; V293-Y295 HydrophobicContact CG1-CD1 4.1Å; V293-Y295 HydrophobicContact CG1-CE1 3.64Å; Y295-V306 VanDerWaalsContact CA-O 3.3Å; Y295-V306 WeakPolarHBondContact CA-O 3.44Å; Y295-S307 WeakPolarHBondContact CE1-OG 3.43Å; Y295-I316 HydrophobicContact CD1-CD1 3.76Å; Y295-I316 HydrophobicContact CD2-CD1 4.07Å; Y295-I316 HydrophobicContact CE1-CD1 3.56Å; Y295-I316 HydrophobicContact CE2-CD1 3.88Å; Y295-I316 HydrophobicContact CG-CD1 4.02Å; Y295-V321 HydrophobicContact CD2-CG2 4.17Å; Y295-V321 HydrophobicContact CG-CG2 4.32Å; Y295-C324 HydrophobicContact CD2-CB 4.48Å; Y295-C324 HydrophobicContact CE2-CB 3.91Å
296R95.8Very high88.2Confident1 Ų146.7 Ų46.70%0.00425%0.249CC..EExtended strand (participates in β ladder)trans-141.6165.9176.578.2-177.2-161.8154.39.1111.5Q54 L88 Q278 A279 T294 W305 V306 L308Q54-R296 WeakPolarHBondContact O-CD 3.23Å; Q54-R296 PolarHBondContact O-NH1 3.21Å; Q54-R296 VanDerWaalsContact OE1-CZ 3.28Å; L88-R296 PolarHBondContact O-NH2 3.1Å; Q278-R296 WeakPolarHBondContact O-CA 3.43Å; A279-R296 HydrophobicContact CB-CB 3.7Å; T294-R296 HydrophobicContact CG2-CB 4.28Å; R296-W305 VanDerWaalsContact C-CE3 3.46Å; R296-W305 WeakPolarHBondContact O-CA 3.5Å; R296-V306 HydrophobicContact CG-CG2 3.99Å; R296-V306 PolarHBondContact N-O 3.34Å; R296-V306 WeakPolarHBondContact O-CG2 3.46Å; R296-V306 PolarHBondContact O-N 3.01Å; R296-L308 HydrophobicContact CB-CD1 4.48Å; R296-L308 HydrophobicContact CG-CD1 3.45Å; R296-L308 VanDerWaalsContact CG-CD1 3.45Å
297R92.3Very high88.9Confident33 Ų3344.6 Ų44.613%0.12523%0.234CC..EExtended strand (participates in β ladder)trans-67.5150.4175.5-66.7-175.1-177.1-84.8-4.4112.2L277 Q278 E302 Y304 W305L277-R297 VanDerWaalsContact O-CZ 3.3Å; L277-R297 PolarHBondContact O-NE 3.36Å; L277-R297 PolarHBondContact O-NH2 3.1Å; Q278-R297 PolarHBondContact O-N 3.25Å; R297-E302 HydrophobicContact CB-CB 4.44Å; R297-E302 WeakPolarHBondContact CD-O 3.29Å; R297-E302 PolarHBondContact NH1-O 2.76Å; R297-Y304 CarbonylContact C-O 3.44Å; R297-Y304 WeakPolarHBondContact CA-O 3.48Å; R297-W305 HydrophobicContact CG-CD2 4.28Å; R297-W305 HydrophobicContact CG-CH2 4.04Å; R297-W305 HydrophobicContact CG-CZ2 3.76Å; R297-W305 HydrophobicContact CG-CZ3 4.46Å
298G89.4Confident90Very high3 Ų337.5 Ų37.53%0.03119%0.191CC..  trans-64.3148.6171.200000111.9Y304G298-Y304 PolarHBondContact N-O 2.87Å
299I87.8Confident91.2Very high43 Ų4334.5 Ų34.522%0.22117%0.17CC..SBendtrans-70.1-44.4-179.8-63.6158.1000110.9V37 L88 N89V37-I299 HydrophobicContact CB-CD1 4.29Å; V37-I299 HydrophobicContact CG2-CD1 3.72Å; V37-I299 HydrophobicContact CG2-CG1 3.91Å; L88-I299 WeakPolarHBondContact O-CD1 3.16Å; N89-I299 VanDerWaalsContact O-CG2 3.32Å; N89-I299 WeakPolarHBondContact O-CG2 3.48Å
300I83.3Confident92Very high76 Ų7632.5 Ų32.539%0.3915%0.154SC..SBendtrans-82.2-43.8-173-61.9168.2000111.2Y33Y33-I300 HydrophobicContact CD1-CD1 3.79Å; Y33-I300 HydrophobicContact CD2-CD1 4.17Å; Y33-I300 HydrophobicContact CE1-CD1 3.45Å; Y33-I300 VanDerWaalsContact CE1-CD1 3.45Å; Y33-I300 HydrophobicContact CE1-CG1 4.5Å; Y33-I300 HydrophobicContact CE1-CG2 4.17Å; Y33-I300 HydrophobicContact CE2-CD1 3.86Å; Y33-I300 HydrophobicContact CG-CD1 4.14Å; Y33-I300 VanDerWaalsContact CZ-CD1 3.49Å; Y33-I300 WeakPolarHBondContact O-CD1 3.47Å
301D85.1Confident92.4Very high27 Ų2733.7 Ų33.714%0.14416%0.162CC..  trans-133.8103.2176.9-176.9-7.2000110I34 R303 Y304I34-D301 HydrophobicContact CG2-CB 4.37Å; D301-R303 VanDerWaalsContact CG-NH2 3.32Å; D301-R303 PolarHBondContact O-N 3.23Å; D301-R303 VanDerWaalsContact O-N 3.11Å; D301-R303 VanDerWaalsContact OD1-CB 3.28Å; D301-R303 WeakPolarHBondContact OD1-CB 3.37Å; D301-R303 WeakPolarHBondContact OD1-CG 3.19Å; D301-R303 IonicContact OD1-CZ 2.83Å; D301-R303 PolarHBondContact OD1-N 2.73Å; D301-R303 IonicContact OD1-NE 3.21Å; D301-R303 PolarHBondContact OD1-NE 2.87Å; D301-R303 VanDerWaalsContact OD1-NE 3.13Å; D301-R303 IonicContact OD1-NH2 3.91Å; D301-R303 PolarHBondContact OD1-NH2 2.82Å; D301-R303 IonicContact OD2-CZ 3.29Å; D301-R303 VanDerWaalsContact OD2-CZ 3.31Å; D301-R303 IonicContact OD2-NE 2.9Å; D301-R303 PolarHBondContact OD2-NE 3.46Å; D301-R303 IonicContact OD2-NH2 2.75Å; D301-R303 PolarHBondContact OD2-NH2 3.31Å; D301-Y304 HydrophobicContact CB-CD2 3.8Å; D301-Y304 HydrophobicContact CB-CE2 4.19Å; D301-Y304 PolarHBondContact O-N 3.27Å; D301-Y304 VanDerWaalsContact O-N 3.11Å; D301-Y304 WeakPolarHBondContact OD2-CE2 3.28Å
302E86.7Confident92.4Very high46 Ų4636 Ų3622%0.21518%0.179CC..THydrogen-bonded Turntrans-65.6-9.1-177.5-67.2-179179.700114.6K60 R276 R297 Y304K60-E302 WeakPolarHBondContact CE-OE1 3.1Å; K60-E302 IonicContact NZ-OE1 3.78Å; K60-E302 PolarHBondContact NZ-OE1 3.18Å; R276-E302 IonicContact CZ-OE2 3.4Å; R276-E302 VanDerWaalsContact CZ-OE2 3.26Å; R276-E302 IonicContact NH1-OE2 3.13Å; R276-E302 PolarHBondContact NH1-OE2 3.08Å; R276-E302 IonicContact NH2-OE2 3.28Å; R276-E302 PolarHBondContact NH2-OE2 2.89Å; R297-E302 HydrophobicContact CB-CB 4.44Å; R297-E302 WeakPolarHBondContact CD-O 3.29Å; R297-E302 PolarHBondContact NH1-O 2.76Å; E302-Y304 PolarHBondContact O-N 3.21Å
303R86.6Confident92.3Very high186 Ų18637.6 Ų37.670%0.70219%0.19SC*.THydrogen-bonded Turntrans-68.3-26.9172.5-68.5-179.5-70.9-103.7-0.2111.4D301D301-R303 VanDerWaalsContact CG-NH2 3.32Å; D301-R303 PolarHBondContact O-N 3.23Å; D301-R303 VanDerWaalsContact O-N 3.11Å; D301-R303 VanDerWaalsContact OD1-CB 3.28Å; D301-R303 WeakPolarHBondContact OD1-CB 3.37Å; D301-R303 WeakPolarHBondContact OD1-CG 3.19Å; D301-R303 IonicContact OD1-CZ 2.83Å; D301-R303 PolarHBondContact OD1-N 2.73Å; D301-R303 IonicContact OD1-NE 3.21Å; D301-R303 PolarHBondContact OD1-NE 2.87Å; D301-R303 VanDerWaalsContact OD1-NE 3.13Å; D301-R303 IonicContact OD1-NH2 3.91Å; D301-R303 PolarHBondContact OD1-NH2 2.82Å; D301-R303 IonicContact OD2-CZ 3.29Å; D301-R303 VanDerWaalsContact OD2-CZ 3.31Å; D301-R303 IonicContact OD2-NE 2.9Å; D301-R303 PolarHBondContact OD2-NE 3.46Å; D301-R303 IonicContact OD2-NH2 2.75Å; D301-R303 PolarHBondContact OD2-NH2 3.31Å
304Y90Very high92Very high94 Ų9439.9 Ų39.937%0.36921%0.206SC..SBendtrans-91.8151.4-178.9-65.2-70.1000111.6I34 Y35 R297 G298 D301 E302I34-Y304 HydrophobicContact CD1-CE2 4.29Å; I34-Y304 HydrophobicContact CG2-CD2 3.32Å; I34-Y304 HydrophobicContact CG2-CE2 3.82Å; I34-Y304 HydrophobicContact CG2-CG 3.87Å; Y35-Y304 HydrophobicContact CE1-CD1 4.25Å; Y35-Y304 HydrophobicContact CE1-CG 4.14Å; Y35-Y304 WeakPolarHBondContact OH-CD1 3.17Å; R297-Y304 CarbonylContact C-O 3.44Å; R297-Y304 WeakPolarHBondContact CA-O 3.48Å; G298-Y304 PolarHBondContact N-O 2.87Å; D301-Y304 HydrophobicContact CB-CD2 3.8Å; D301-Y304 HydrophobicContact CB-CE2 4.19Å; D301-Y304 PolarHBondContact O-N 3.27Å; D301-Y304 VanDerWaalsContact O-N 3.11Å; D301-Y304 WeakPolarHBondContact OD2-CE2 3.28Å; E302-Y304 PolarHBondContact O-N 3.21Å
305W94Very high91.8Very high5 Ų543 Ų432%0.01923%0.227CC..EExtended strand (participates in β ladder)trans-117.6145.6178-7277.7000110.2L277 Q278 R296 R297 I316 F318 V321L277-W305 HydrophobicContact CD2-CH2 3.88Å; L277-W305 HydrophobicContact CD2-CZ2 4.21Å; L277-W305 HydrophobicContact CG-CH2 3.82Å; L277-W305 HydrophobicContact CG-CZ2 4.35Å; Q278-W305 WeakPolarHBondContact O-CH2 3.12Å; R296-W305 VanDerWaalsContact C-CE3 3.46Å; R296-W305 WeakPolarHBondContact O-CA 3.5Å; R297-W305 HydrophobicContact CG-CD2 4.28Å; R297-W305 HydrophobicContact CG-CH2 4.04Å; R297-W305 HydrophobicContact CG-CZ2 3.76Å; R297-W305 HydrophobicContact CG-CZ3 4.46Å; W305-I316 HydrophobicContact CB-CG2 3.6Å; W305-I316 WeakPolarHBondContact CB-O 3.3Å; W305-I316 PolarHBondContact O-N 3.43Å; W305-F318 AromaticContact CE2-CD2 3.75Å; W305-F318 HydrophobicContact CZ2-CD2 4.11Å; W305-F318 HydrophobicContact CZ2-CE2 4.11Å; W305-F318 AromaticContact NE1-CD2 3.4Å; W305-V321 HydrophobicContact CB-CG2 4.21Å; W305-V321 HydrophobicContact CD2-CG1 4.3Å; W305-V321 HydrophobicContact CD2-CG2 3.98Å; W305-V321 HydrophobicContact CE3-CB 4.42Å; W305-V321 HydrophobicContact CE3-CG1 3.86Å; W305-V321 HydrophobicContact CE3-CG2 3.85Å; W305-V321 HydrophobicContact CG-CG2 4.15Å; W305-V321 HydrophobicContact CH2-CG1 4.15Å; W305-V321 HydrophobicContact CZ3-CG1 3.78Å
306V94.5Very high91.6Very high0 Ų043.5 Ų43.50%023%0.23CC..EExtended strand (participates in β ladder)trans-122.4144.6173.2-66.30000110.4Y35 V37 Y295 R296 L308 V313 S314Y35-V306 HydrophobicContact CD1-CG1 3.47Å; Y35-V306 VanDerWaalsContact CD1-CG1 3.47Å; Y35-V306 HydrophobicContact CE1-CG1 4.43Å; Y35-V306 HydrophobicContact CG-CG1 4.1Å; V37-V306 HydrophobicContact CB-CG2 4.37Å; V37-V306 HydrophobicContact CG2-CG2 3.88Å; Y295-V306 VanDerWaalsContact CA-O 3.3Å; Y295-V306 WeakPolarHBondContact CA-O 3.44Å; R296-V306 HydrophobicContact CG-CG2 3.99Å; R296-V306 PolarHBondContact N-O 3.34Å; R296-V306 WeakPolarHBondContact O-CG2 3.46Å; R296-V306 PolarHBondContact O-N 3.01Å; V306-L308 HydrophobicContact CG2-CD1 3.98Å; V306-L308 HydrophobicContact CG2-CD2 4.4Å; V306-L308 HydrophobicContact CG2-CG 4.08Å; V306-V313 HydrophobicContact CB-CG1 4.11Å; V306-V313 HydrophobicContact CG1-CG1 4.31Å; V306-S314 CarbonylContact C-O 3.57Å; V306-S314 WeakPolarHBondContact CA-O 3.39Å
307S95.5Very high91.4Very high15 Ų1545.7 Ų45.711%0.10525%0.253CS..EExtended strand (participates in β ladder)trans-99.9121.6169.3171.90000109.7V293 Y295 V313 S314V293-S307 WeakPolarHBondContact CG1-OG 3.3Å; Y295-S307 WeakPolarHBondContact CE1-OG 3.43Å; S307-V313 WeakPolarHBondContact O-CA 3.2Å; S307-S314 PolarHBondContact N-O 2.87Å; S307-S314 PolarHBondContact O-N 2.95Å
308L96Very high91.3Very high5 Ų548.4 Ų48.43%0.02627%0.266CS..EExtended strand (participates in β ladder)trans-114.4105.7-174-62.5151.1000108.8V37 Q54 V293 T294 R296 V306 V313V37-L308 HydrophobicContact CB-CD2 4.07Å; V37-L308 HydrophobicContact CG1-CD1 4.18Å; V37-L308 HydrophobicContact CG1-CD2 3.49Å; V37-L308 VanDerWaalsContact CG1-CD2 3.49Å; V37-L308 HydrophobicContact CG1-CG 4.46Å; Q54-L308 HydrophobicContact CB-CD1 4.05Å; Q54-L308 HydrophobicContact CG-CB 4.22Å; Q54-L308 HydrophobicContact CG-CD1 4.04Å; V293-L308 WeakPolarHBondContact CG1-O 3.48Å; T294-L308 PolarHBondContact N-O 3.17Å; T294-L308 WeakPolarHBondContact O-CB 3.33Å; T294-L308 PolarHBondContact O-N 2.89Å; R296-L308 HydrophobicContact CB-CD1 4.48Å; R296-L308 HydrophobicContact CG-CD1 3.45Å; R296-L308 VanDerWaalsContact CG-CD1 3.45Å; V306-L308 HydrophobicContact CG2-CD1 3.98Å; V306-L308 HydrophobicContact CG2-CD2 4.4Å; V306-L308 HydrophobicContact CG2-CG 4.08Å; L308-V313 HydrophobicContact CD2-CB 4.16Å; L308-V313 HydrophobicContact CD2-CG1 3.74Å; L308-V313 HydrophobicContact CD2-CG2 3.56Å
309S95.6Very high91.3Very high36 Ų3655.3 Ų55.325%0.25230%0.297SS..EExtended strand (participates in β ladder)trans-118.190178.1-179.90000107.9H291 A311 T312H291-S309 PolarHBondContact NE2-OG 2.88Å; S309-A311 PolarHBondContact O-N 3.49Å; S309-T312 PolarHBondContact N-O 3.31Å; S309-T312 WeakPolarHBondContact O-CB 3.31Å; S309-T312 PolarHBondContact O-N 2.91Å
310D95Very high91.4Very high24 Ų2459.2 Ų59.213%0.12831%0.313CS..THydrogen-bonded Turntrans51.9-119.5-170.8-61.1-42000111.7G39 L40 N42 N50 H291 T312G39-D310 CarbonylContact C-O 3.52Å; G39-D310 WeakPolarHBondContact CA-O 3.28Å; L40-D310 PolarHBondContact N-O 3.05Å; L40-D310 CarbonylContact O-C 3.56Å; L40-D310 WeakPolarHBondContact O-CA 3.38Å; L40-D310 WeakPolarHBondContact O-CB 3.22Å; N42-D310 HydrophobicContact CB-CB 4.01Å; N42-D310 WeakPolarHBondContact CB-OD2 3.17Å; N42-D310 PolarHBondContact ND2-OD2 3.34Å; N50-D310 PolarHBondContact ND2-OD1 2.99Å; H291-D310 IonicContact CE1-OD2 2.67Å; H291-D310 PolarHBondContact CE1-OD2 2.85Å; H291-D310 VanDerWaalsContact CE1-OD2 3.25Å; D310-T312 PolarHBondContact O-N 3.38Å
311A94.1Very high91.7Very high43 Ų4355.6 Ų55.636%0.35529%0.294SS..THydrogen-bonded Turntrans-74.7-14.1-179.600000112.6L40 T95 S309L40-A311 PolarHBondContact O-N 3.47Å; T95-A311 HydrophobicContact CG2-CB 3.66Å; S309-A311 PolarHBondContact O-N 3.49Å
312T92.6Very high91.7Very high92 Ų9256 Ų5656%0.56430%0.299SS*.EExtended strand (participates in β ladder)trans-91.3124.5-175.4-51.70000110.4S309 D310S309-T312 PolarHBondContact N-O 3.31Å; S309-T312 WeakPolarHBondContact O-CB 3.31Å; S309-T312 PolarHBondContact O-N 2.91Å; D310-T312 PolarHBondContact O-N 3.38Å
313V92.6Very high91.8Very high49 Ų4960 Ų6030%0.29732%0.321SS..EExtended strand (participates in β ladder)trans-117.4129.2175.8-171.60000108.5V37 V306 S307 L308V37-V313 HydrophobicContact CB-CG1 4.38Å; V37-V313 VanDerWaalsContact O-CG2 3.3Å; V37-V313 WeakPolarHBondContact O-CG2 3.33Å; V306-V313 HydrophobicContact CB-CG1 4.11Å; V306-V313 HydrophobicContact CG1-CG1 4.31Å; S307-V313 WeakPolarHBondContact O-CA 3.2Å; L308-V313 HydrophobicContact CD2-CB 4.16Å; L308-V313 HydrophobicContact CD2-CG1 3.74Å; L308-V313 HydrophobicContact CD2-CG2 3.56Å
314S91.7Very high91.8Very high50 Ų5052.4 Ų52.435%0.3530%0.296SS..EExtended strand (participates in β ladder)trans-139.214617853.40000111.5V306 S307V306-S314 CarbonylContact C-O 3.57Å; V306-S314 WeakPolarHBondContact CA-O 3.39Å; S307-S314 PolarHBondContact N-O 2.87Å; S307-S314 PolarHBondContact O-N 2.95Å
315P92.2Very high91.6Very high67 Ų6756 Ų5644%0.43532%0.317SS..EExtended strand (participates in β ladder)trans-65.6140.5175.328.1-35000110.7Y35Y35-P315 HydrophobicContact CD1-CB 4.05Å; Y35-P315 HydrophobicContact CD2-CB 3.92Å; Y35-P315 HydrophobicContact CD2-CG 4.47Å; Y35-P315 HydrophobicContact CE1-CB 3.67Å; Y35-P315 HydrophobicContact CE2-CB 3.62Å; Y35-P315 HydrophobicContact CE2-CG 4.33Å; Y35-P315 HydrophobicContact CG-CB 4.16Å
316I93.1Very high91.2Very high18 Ų1856.8 Ų56.89%0.09232%0.324CS..EExtended strand (participates in β ladder)trans-132.4139.3176.1-167.2169.1000110.1Y295 W305 K320 V321Y295-I316 HydrophobicContact CD1-CD1 3.76Å; Y295-I316 HydrophobicContact CD2-CD1 4.07Å; Y295-I316 HydrophobicContact CE1-CD1 3.56Å; Y295-I316 HydrophobicContact CE2-CD1 3.88Å; Y295-I316 HydrophobicContact CG-CD1 4.02Å; W305-I316 HydrophobicContact CB-CG2 3.6Å; W305-I316 WeakPolarHBondContact CB-O 3.3Å; W305-I316 PolarHBondContact O-N 3.43Å; I316-K320 HydrophobicContact CD1-CB 4.19Å; I316-K320 HydrophobicContact CD1-CD 3.7Å; I316-K320 HydrophobicContact CD1-CG 3.89Å; I316-K320 HydrophobicContact CG1-CB 4.02Å; I316-K320 HydrophobicContact CG1-CD 3.95Å; I316-K320 HydrophobicContact CG1-CG 4.22Å; I316-V321 HydrophobicContact CD1-CG2 4.38Å; I316-V321 HydrophobicContact CG1-CG2 4.41Å; I316-V321 HydrophobicContact CG2-CG2 3.98Å
317G91Very high90.9Very high48 Ų4860.5 Ų60.550%0.49534%0.338SS..  trans-76.3145.3175.300000111.2E319 K320 V321G317-E319 PolarHBondContact O-N 3.42Å; G317-K320 PolarHBondContact O-N 3.03Å; G317-K320 VanDerWaalsContact O-N 3.1Å; G317-V321 PolarHBondContact O-N 3.4Å
318F90.7Very high90.6Very high89 Ų8961 Ų6139%0.3934%0.339SS..Hα-helixtrans-58.9-33.5178.6-179.6-108.9000112.8L258 L277 W305 K320 V321 S322L258-F318 HydrophobicContact CD2-CZ 3.81Å; L277-F318 HydrophobicContact CD2-CE2 4.39Å; W305-F318 AromaticContact CE2-CD2 3.75Å; W305-F318 HydrophobicContact CZ2-CD2 4.11Å; W305-F318 HydrophobicContact CZ2-CE2 4.11Å; W305-F318 AromaticContact NE1-CD2 3.4Å; F318-K320 VanDerWaalsContact C-N 3.27Å; F318-K320 PolarHBondContact O-N 3.35Å; F318-V321 HydrophobicContact CD2-CB 4.28Å; F318-V321 CarbonylContact O-C 3.54Å; F318-V321 WeakPolarHBondContact O-CA 3.36Å; F318-V321 WeakPolarHBondContact O-CB 3.27Å; F318-V321 PolarHBondContact O-N 2.9Å; F318-S322 PolarHBondContact O-N 3.48Å; F318-S322 PolarHBondContact O-OG 3.45Å
319E88.9Confident90.2Very high148 Ų14863.1 Ų63.169%0.69235%0.352SS*.Hα-helixtrans-48.9-49.1173.1-177.7-166.8175.300111.9G317 V321 S322 L323G317-E319 PolarHBondContact O-N 3.42Å; E319-V321 VanDerWaalsContact C-N 3.33Å; E319-V321 PolarHBondContact O-N 3.39Å; E319-S322 WeakPolarHBondContact CA-OG 3.44Å; E319-S322 PolarHBondContact O-N 3.24Å; E319-S322 PolarHBondContact O-OG 2.93Å; E319-L323 HydrophobicContact CG-CD1 4.06Å; E319-L323 WeakPolarHBondContact O-CB 3.29Å; E319-L323 WeakPolarHBondContact O-CG 3.49Å; E319-L323 PolarHBondContact O-N 3.05Å; E319-L323 VanDerWaalsContact O-N 3.08Å
320K89.5Confident89.8Confident126 Ų12662.4 Ų62.455%0.54835%0.345SS..Hα-helixtrans-68.7-32.8178.9-173.9172.3170.8-176.30112.2I316 G317 F318 C324I316-K320 HydrophobicContact CD1-CB 4.19Å; I316-K320 HydrophobicContact CD1-CD 3.7Å; I316-K320 HydrophobicContact CD1-CG 3.89Å; I316-K320 HydrophobicContact CG1-CB 4.02Å; I316-K320 HydrophobicContact CG1-CD 3.95Å; I316-K320 HydrophobicContact CG1-CG 4.22Å; G317-K320 PolarHBondContact O-N 3.03Å; G317-K320 VanDerWaalsContact O-N 3.1Å; F318-K320 VanDerWaalsContact C-N 3.27Å; F318-K320 PolarHBondContact O-N 3.35Å; K320-C324 WeakPolarHBondContact O-CB 3.37Å; K320-C324 PolarHBondContact O-N 2.75Å
321V89.9Confident89.3Confident0 Ų064.3 Ų64.30%035%0.351CS..Hα-helixtrans-67.6-43.3174.6-178.30000110.5L277 V280 Y295 W305 I316 G317 F318 E319 L323 C324L277-V321 HydrophobicContact CD2-CG1 4.4Å; V280-V321 HydrophobicContact CG2-CG1 3.94Å; Y295-V321 HydrophobicContact CD2-CG2 4.17Å; Y295-V321 HydrophobicContact CG-CG2 4.32Å; W305-V321 HydrophobicContact CB-CG2 4.21Å; W305-V321 HydrophobicContact CD2-CG1 4.3Å; W305-V321 HydrophobicContact CD2-CG2 3.98Å; W305-V321 HydrophobicContact CE3-CB 4.42Å; W305-V321 HydrophobicContact CE3-CG1 3.86Å; W305-V321 HydrophobicContact CE3-CG2 3.85Å; W305-V321 HydrophobicContact CG-CG2 4.15Å; W305-V321 HydrophobicContact CH2-CG1 4.15Å; W305-V321 HydrophobicContact CZ3-CG1 3.78Å; I316-V321 HydrophobicContact CD1-CG2 4.38Å; I316-V321 HydrophobicContact CG1-CG2 4.41Å; I316-V321 HydrophobicContact CG2-CG2 3.98Å; G317-V321 PolarHBondContact O-N 3.4Å; F318-V321 HydrophobicContact CD2-CB 4.28Å; F318-V321 CarbonylContact O-C 3.54Å; F318-V321 WeakPolarHBondContact O-CA 3.36Å; F318-V321 WeakPolarHBondContact O-CB 3.27Å; F318-V321 PolarHBondContact O-N 2.9Å; E319-V321 VanDerWaalsContact C-N 3.33Å; E319-V321 PolarHBondContact O-N 3.39Å; V321-L323 VanDerWaalsContact C-N 3.31Å; V321-L323 PolarHBondContact O-N 3.4Å; V321-C324 PolarHBondContact O-N 2.95Å; V321-C324 PolarHBondContact O-SG 3.29Å
322S85.8Confident88.4Confident35 Ų3563.5 Ų63.525%0.24534%0.34CS..Hα-helixtrans-68.3-27.6179.654.90000113.9F318 E319F318-S322 PolarHBondContact O-N 3.48Å; F318-S322 PolarHBondContact O-OG 3.45Å; E319-S322 WeakPolarHBondContact CA-OG 3.44Å; E319-S322 PolarHBondContact O-N 3.24Å; E319-S322 PolarHBondContact O-OG 2.93Å
323L88Confident87.4Confident129 Ų12965.7 Ų65.768%0.67534%0.337SS*.THydrogen-bonded Turntrans-96.8-2.7-178.6-65.9173.5000113.6E319 V321E319-L323 HydrophobicContact CG-CD1 4.06Å; E319-L323 WeakPolarHBondContact O-CB 3.29Å; E319-L323 WeakPolarHBondContact O-CG 3.49Å; E319-L323 PolarHBondContact O-N 3.05Å; E319-L323 VanDerWaalsContact O-N 3.08Å; V321-L323 VanDerWaalsContact C-N 3.31Å; V321-L323 PolarHBondContact O-N 3.4Å
324C87.1Confident86.4Confident28 Ų2865.8 Ų65.819%0.18934%0.336CS..SBendtrans-74.2151.5-176.875.30000112.1V282 Y295 K320 V321 A326V282-C324 HydrophobicContact CG2-CB 3.97Å; V282-C324 VanDerWaalsContact CG2-SG 3.59Å; Y295-C324 HydrophobicContact CD2-CB 4.48Å; Y295-C324 HydrophobicContact CE2-CB 3.91Å; K320-C324 WeakPolarHBondContact O-CB 3.37Å; K320-C324 PolarHBondContact O-N 2.75Å; V321-C324 PolarHBondContact O-N 2.95Å; V321-C324 PolarHBondContact O-SG 3.29Å; C324-A326 VanDerWaalsContact C-N 3.33Å; C324-A326 PolarHBondContact O-N 3.16Å
325Q85.6Confident85.1Confident170 Ų17068.5 Ų68.579%0.79435%0.35SS*.  trans-75.390.8168.7-1711751000108.8Y327Q325-Y327 PolarHBondContact O-N 3.4Å
326A86.5Confident83.5Confident20 Ų2071.4 Ų71.417%0.16536%0.362CS..EExtended strand (participates in β ladder)trans-65.6127179.400000110.6L254 V280 C324 V329L254-A326 HydrophobicContact CD1-CB 3.94Å; V280-A326 HydrophobicContact CG1-CB 3.5Å; V280-A326 VanDerWaalsContact CG1-CB 3.5Å; C324-A326 VanDerWaalsContact C-N 3.33Å; C324-A326 PolarHBondContact O-N 3.16Å; A326-V329 HydrophobicContact CB-CG2 3.64Å
327Y88.2Confident81.6Confident79 Ų7971.2 Ų71.231%0.3136%0.363SS..EExtended strand (participates in β ladder)trans-90.3-43171172.6-86.9000110.8D119 V120 H121 I281 H283 F292 Q325D119-Y327 PolarHBondContact OD1-OH 3.17Å; D119-Y327 PolarHBondContact OD2-OH 3.36Å; V120-Y327 HydrophobicContact CB-CD1 4.4Å; V120-Y327 HydrophobicContact CB-CE1 3.75Å; V120-Y327 HydrophobicContact CG1-CE1 4.31Å; H121-Y327 WeakPolarHBondContact CB-OH 3.41Å; H121-Y327 PolarHBondContact N-OH 3.47Å; I281-Y327 HydrophobicContact CG2-CD1 4.36Å; I281-Y327 WeakPolarHBondContact O-CB 3.48Å; I281-Y327 PolarHBondContact O-N 2.84Å; H283-Y327 HydrophobicContact CB-CD2 4.3Å; H283-Y327 HydrophobicContact CB-CG 4.32Å; F292-Y327 AromaticContact CE1-CD1 3.94Å; F292-Y327 HydrophobicContact CE1-CD1 3.94Å; F292-Y327 HydrophobicContact CE1-CD2 4.44Å; F292-Y327 HydrophobicContact CE1-CE1 4.09Å; F292-Y327 HydrophobicContact CE1-CG 4.16Å; Q325-Y327 PolarHBondContact O-N 3.4Å
328M88.2Confident79.5Confident24 Ų2472.9 Ų72.912%0.11836%0.357CS..EExtended strand (participates in β ladder)trans-143.7142.9175-179.1-178.3-71.400109.7L52 V120 H121 L124 V280 I281 F330L52-M328 HydrophobicContact CD1-SD 4.28Å; V120-M328 HydrophobicContact CG1-CE 3.95Å; V120-M328 HydrophobicContact CG1-SD 4.05Å; H121-M328 HydrophobicContact CB-CE 3.87Å; L124-M328 HydrophobicContact CB-CE 4.3Å; L124-M328 HydrophobicContact CD2-CE 3.82Å; L124-M328 HydrophobicContact CD2-SD 3.97Å; V280-M328 CarbonylContact C-O 3.49Å; I281-M328 HydrophobicContact CB-CB 4.17Å; I281-M328 HydrophobicContact CD1-CB 4.47Å; I281-M328 HydrophobicContact CD1-SD 4.27Å; I281-M328 PolarHBondContact N-O 2.93Å; I281-M328 PolarHBondContact O-N 2.93Å; M328-F330 HydrophobicContact CG-CE2 4.02Å; M328-F330 HydrophobicContact CG-CZ 4.25Å; M328-F330 HydrophobicContact SD-CE2 3.96Å; M328-F330 HydrophobicContact SD-CZ 3.68Å
329V88.7Confident77.6Confident50 Ų5072.7 Ų72.730%0.30337%0.367SS..EExtended strand (participates in β ladder)trans-129.6135.8-171.9-169.40000110.4L254 L277 V280 A326 Y331L254-V329 HydrophobicContact CD1-CG1 4.21Å; L254-V329 HydrophobicContact CD1-CG2 3.59Å; L277-V329 HydrophobicContact CD1-CG1 3.11Å; V280-V329 HydrophobicContact CG2-CG1 4.37Å; A326-V329 HydrophobicContact CB-CG2 3.64Å; V329-Y331 HydrophobicContact CB-CE2 4.32Å; V329-Y331 HydrophobicContact CG1-CD2 3.69Å; V329-Y331 HydrophobicContact CG1-CE2 3.31Å
330F87Confident75.6Confident22 Ų2269.9 Ų69.910%0.09636%0.36CS..EExtended strand (participates in β ladder)trans-111.3118.1178.2-65.5-92.5000109.8L52 L56 Q278 A279 I281 M328L52-F330 HydrophobicContact CD1-CZ 4.11Å; L56-F330 HydrophobicContact CD2-CE1 3.84Å; L56-F330 HydrophobicContact CG-CE1 4.27Å; Q278-F330 PolarHBondContact N-O 2.97Å; A279-F330 HydrophobicContact CB-CB 4.15Å; A279-F330 HydrophobicContact CB-CD2 4.04Å; A279-F330 HydrophobicContact CB-CG 4.41Å; A279-F330 PolarHBondContact N-O 3.45Å; A279-F330 PolarHBondContact O-N 3.47Å; I281-F330 HydrophobicContact CD1-CE2 3.67Å; I281-F330 HydrophobicContact CD1-CZ 4.23Å; I281-F330 HydrophobicContact CG1-CE2 3.99Å; M328-F330 HydrophobicContact CG-CE2 4.02Å; M328-F330 HydrophobicContact CG-CZ 4.25Å; M328-F330 HydrophobicContact SD-CE2 3.96Å; M328-F330 HydrophobicContact SD-CZ 3.68Å
331Y83.4Confident73.6Confident64 Ų6469.1 Ų69.125%0.25136%0.359SS..EExtended strand (participates in β ladder)trans-114.2146.7172-79.7-90.4000110.1R276 L277 V329R276-Y331 VanDerWaalsContact C-CD1 3.43Å; R276-Y331 WeakPolarHBondContact O-CA 3.09Å; L277-Y331 HydrophobicContact CB-CD1 4.08Å; L277-Y331 HydrophobicContact CB-CE1 3.54Å; L277-Y331 HydrophobicContact CD1-CD2 4.21Å; L277-Y331 HydrophobicContact CD1-CE1 4.08Å; L277-Y331 HydrophobicContact CD1-CE2 3.75Å; L277-Y331 HydrophobicContact CG-CE1 4.39Å; L277-Y331 VanDerWaalsContact N-CD1 3.33Å; V329-Y331 HydrophobicContact CB-CE2 4.32Å; V329-Y331 HydrophobicContact CG1-CD2 3.69Å; V329-Y331 HydrophobicContact CG1-CE2 3.31Å
332E76.2Confident71.2Confident26 Ų2676.9 Ų76.912%0.12140%0.4CS..EExtended strand (participates in β ladder)trans-125.3144.5172.4-172169.3-163.200109.5K60 C61 Y275 R276 Q278 D334K60-E332 PolarHBondContact N-OE1 2.94Å; K60-E332 PolarHBondContact N-OE2 3.15Å; K60-E332 VanDerWaalsContact N-OE2 3.1Å; C61-E332 WeakPolarHBondContact CB-OE1 3.45Å; C61-E332 PolarHBondContact N-OE1 2.98Å; C61-E332 PolarHBondContact SG-OE1 2.88Å; Y275-E332 CarbonylContact C-O 3.48Å; Y275-E332 WeakPolarHBondContact CA-O 3.23Å; R276-E332 PolarHBondContact N-O 3.36Å; R276-E332 PolarHBondContact O-N 3.5Å; Q278-E332 HydrophobicContact CG-CB 3.65Å; Q278-E332 PolarHBondContact NE2-OE2 3.2Å; E332-D334 PolarHBondContact O-N 2.93Å
333R72Confident69.1Low137 Ų13779.9 Ų79.952%0.51742%0.421SS..EExtended strand (participates in β ladder)trans-68.4133.5179.3-173.4-178.1-65.6-171.61.5109.9L274 Y275 V335L274-R333 CarbonylContact O-C 3.55Å; L274-R333 VanDerWaalsContact O-CA 3.29Å; L274-R333 WeakPolarHBondContact O-CA 3.33Å; L274-R333 WeakPolarHBondContact O-CG 3.45Å; Y275-R333 HydrophobicContact CD1-CB 4.1Å; Y275-R333 HydrophobicContact CE1-CB 3.88Å; Y275-R333 HydrophobicContact CE1-CG 4.36Å; Y275-R333 PolarHBondContact OH-NH2 3.24Å; R333-V335 PolarHBondContact O-N 3.38Å
334D70.4Confident66.9Low52 Ų5281 Ų8128%0.27843%0.427SS..  trans-80.1108.5171.7-158.6-22.2000109.1L274 E332 D336 A337L274-D334 PolarHBondContact O-N 3.33Å; E332-D334 PolarHBondContact O-N 2.93Å; D334-D336 PolarHBondContact O-N 2.93Å; D334-D336 PolarHBondContact OD1-N 2.98Å; D334-A337 HydrophobicContact CB-CB 4.32Å; D334-A337 WeakPolarHBondContact O-CB 3.44Å; D334-A337 PolarHBondContact O-N 3.3Å
335V64.6Low64.6Low106 Ų10684.9 Ų84.964%0.64246%0.455SS*.G310 helixtrans-68-30.5-174.4-169.50000110.7R333 A337 F338R333-V335 PolarHBondContact O-N 3.38Å; V335-A337 PolarHBondContact O-N 3.44Å; V335-F338 PolarHBondContact O-N 3.46Å
336D58.4Low62Low128 Ų12880.2 Ų80.268%0.68445%0.453SS*.G310 helixtrans-69.5-23.3-178.8-66.7-29000112D334 F338 S339D334-D336 PolarHBondContact O-N 2.93Å; D334-D336 PolarHBondContact OD1-N 2.98Å; D336-F338 PolarHBondContact O-N 3.29Å; D336-S339 PolarHBondContact O-OG 3.28Å
337A53.4Low59.7Low14 Ų1484.7 Ų84.712%0.11648%0.48CS..G310 helixtrans-69.7-13.2175.200000113.2K272 Q273 L274 D334 V335K272-A337 HydrophobicContact CD-CB 4.43Å; K272-A337 WeakPolarHBondContact CD-O 3.36Å; K272-A337 WeakPolarHBondContact CE-O 3.48Å; K272-A337 HydrophobicContact CG-CB 4.25Å; K272-A337 PolarHBondContact NZ-O 3.18Å; Q273-A337 WeakPolarHBondContact O-CB 3.38Å; L274-A337 HydrophobicContact CD2-CB 4.11Å; D334-A337 HydrophobicContact CB-CB 4.32Å; D334-A337 WeakPolarHBondContact O-CB 3.44Å; D334-A337 PolarHBondContact O-N 3.3Å; V335-A337 PolarHBondContact O-N 3.44Å
338F47.9Very low57.3Low83 Ų8386.5 Ų86.536%0.36450%0.501SS..THydrogen-bonded Turntrans-100.5-22.4178.4-96.4-85.5000114.3L274 V335 D336 T340 E341L274-F338 HydrophobicContact CD1-CE2 4.47Å; L274-F338 HydrophobicContact CD2-CD2 4.25Å; L274-F338 HydrophobicContact CD2-CE2 3.79Å; L274-F338 HydrophobicContact CD2-CZ 4.45Å; V335-F338 PolarHBondContact O-N 3.46Å; D336-F338 PolarHBondContact O-N 3.29Å; F338-T340 PolarHBondContact O-N 3.18Å; F338-T340 VanDerWaalsContact O-N 3.08Å; F338-E341 WeakPolarHBondContact CD1-OE2 3.12Å; F338-E341 WeakPolarHBondContact CE1-OE2 3.35Å; F338-E341 PolarHBondContact O-N 2.9Å
339S49.9Very low55Low85 Ų8590.2 Ų90.259%0.59454%0.536SS*.G310 helixtrans-63.8-20.2-173.763.60000114.2D336 E341D336-S339 PolarHBondContact O-OG 3.28Å; S339-E341 VanDerWaalsContact C-N 3.35Å
340T47.6Very low52.6Low89 Ų8994.5 Ų94.555%0.54656%0.557SS.*G310 helixtrans-79.7-6.5176.336.20000114.9K272 F338K272-T340 VanDerWaalsContact CE-OG1 3.3Å; K272-T340 WeakPolarHBondContact CE-OG1 3.4Å; K272-T340 PolarHBondContact NZ-OG1 3.19Å; F338-T340 PolarHBondContact O-N 3.18Å; F338-T340 VanDerWaalsContact O-N 3.08Å
341E46.7Very low50.3Low111 Ų11199.1 Ų99.152%0.51959%0.593SS.*G310 helixtrans-83.2-22.8178.8-75.9-175.6174.900114F338 S339F338-E341 WeakPolarHBondContact CD1-OE2 3.12Å; F338-E341 WeakPolarHBondContact CE1-OE2 3.35Å; F338-E341 PolarHBondContact O-N 2.9Å; S339-E341 VanDerWaalsContact C-N 3.35Å
342N40.2Very low48Very low162 Ų162105.5 Ų105.587%0.86662%0.622SS**SBendtrans-978-170.1-80.3-17.6000115.6
343S42Very low46.6Very low98 Ų98112.7 Ų112.769%0.68569%0.686SS**SBendtrans-113-1.3-179.961.90000116.1
344D41.5Very low45.4Very low152 Ų152111.5 Ų111.581%0.81369%0.694SS**SBendtrans-13863-171.9-127.70.5000113.7
345S37.4Very low44Very low110 Ų110114.6 Ų114.677%0.76972%0.716SS**  trans-152.761.2162.770.70000111.6P347S345-P347 WeakPolarHBondContact O-CD 3.4Å
346G31.3Very low42.9Very low73 Ų73115.1 Ų115.175%0.75372%0.72SS**  trans-84.7112.3160.700000109.1
347P37.8Very low42Very low114 Ų114114.3 Ų114.374%0.7472%0.722SS**  trans-72.2147.5-178.729.2-32000110.5S345 A349S345-P347 WeakPolarHBondContact O-CD 3.4Å; P347-A349 PolarHBondContact O-N 2.99Å
348P39.4Very low41.3Very low116 Ų116120.6 Ų120.675%0.75376%0.76SS**  trans-66.7121.8177.527.1-30.8000109.2N350P348-N350 PolarHBondContact O-N 3.32Å
349A39.7Very low40.8Very low103 Ų103123.1 Ų123.185%0.85179%0.786SS**  trans-61.6105.1173.700000109.4P347 S351P347-A349 PolarHBondContact O-N 2.99Å; A349-S351 PolarHBondContact O-N 2.8Å
350N37.6Very low40.2Very low139 Ų139125.8 Ų125.874%0.74380%0.8SS**  trans-65.6111.8169.8-84.6-25000109.3P348 F352P348-N350 PolarHBondContact O-N 3.32Å; N350-F352 HydrophobicContact CB-CD2 4.49Å; N350-F352 HydrophobicContact CB-CE2 4.46Å; N350-F352 PolarHBondContact O-N 3.35Å
351S39.7Very low39.6Very low120 Ų120128.6 Ų128.684%0.83982%0.82SS**  trans-68.5102.7167.554.70000109.7A349A349-S351 PolarHBondContact O-N 2.8Å
352F34.6Very low39Very low198 Ų198130.1 Ų130.187%0.86885%0.845SS**  trans-99.5114.5155.8-80.8-83.6000107.6N350N350-F352 HydrophobicContact CB-CD2 4.49Å; N350-F352 HydrophobicContact CB-CE2 4.46Å; N350-F352 PolarHBondContact O-N 3.35Å
353A47.3Very low38.9Very low176 Ų176127.2 Ų127.2100%1.45584%0.843SS**  trans-1260158.700000107.4

Retrieved 353 of 353 residues in 206.2 ms (Link to these results)

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