A0A075BR14_DROME Loading...

Cytochrome P450

AlphaFold DB (P33270), UniProt , Accession A0A075BR14, Species DROME (Drosophila melanogaster, Fruit fly), Gene Cyp6a2, Length 506 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
1M79.3Confident92.6Very high169 Ų169110.1 Ų110.183%0.83356%0.564SS**  0-56.50-160.717275.800112.2V3 L4 I5M1-V3 PolarHBondContact O-N 3.05Å; M1-L4 PolarHBondContact O-N 2.95Å; M1-I5 HydrophobicContact CG-CD1 4.23Å; M1-I5 PolarHBondContact O-N 3.17Å
2F91.7Very high92.7Very high135 Ų135106.3 Ų106.359%0.59255%0.554SS**Hα-helixtrans-56.5-41.6-178.9-65.1-73.4000115L4 I5 Y6F2-L4 VanDerWaalsContact C-N 3.33Å; F2-L4 PolarHBondContact O-N 2.87Å; F2-I5 PolarHBondContact O-N 3.33Å; F2-I5 VanDerWaalsContact O-N 3.12Å; F2-Y6 HydrophobicContact CB-CD2 4.23Å; F2-Y6 HydrophobicContact CB-CE2 3.87Å; F2-Y6 WeakPolarHBondContact O-CD2 3.16Å; F2-Y6 PolarHBondContact O-N 3.39Å
3V91.9Very high92.8Very high106 Ų106103.3 Ų103.364%0.64255%0.548SS*.Hα-helixtrans-58.4-42.2178.6179.30000112.4M1 I5 Y6 L7M1-V3 PolarHBondContact O-N 3.05Å; V3-I5 VanDerWaalsContact C-N 3.35Å; V3-Y6 PolarHBondContact O-N 2.89Å; V3-L7 HydrophobicContact CG1-CD1 4.06Å; V3-L7 WeakPolarHBondContact O-CB 3.36Å; V3-L7 WeakPolarHBondContact O-CG 3.36Å; V3-L7 PolarHBondContact O-N 3.49Å
4L92.7Very high92.9Very high118 Ų118103 Ų10362%0.61855%0.546SS*.Hα-helixtrans-65.5-39.7177.2-73.9165.4000111.4M1 F2 L7 L8M1-L4 PolarHBondContact O-N 2.95Å; F2-L4 VanDerWaalsContact C-N 3.33Å; F2-L4 PolarHBondContact O-N 2.87Å; L4-L7 PolarHBondContact O-N 3.16Å; L4-L8 WeakPolarHBondContact O-CB 3.37Å; L4-L8 VanDerWaalsContact O-CG 3.3Å; L4-L8 WeakPolarHBondContact O-CG 3.26Å; L4-L8 PolarHBondContact O-N 3Å
5I94.4Very high92.7Very high75 Ų75103.3 Ų103.339%0.38555%0.547SS..Hα-helixtrans-64.5-46.4176.6-63.4170.7000110.3M1 F2 V3 L7 L8 I9M1-I5 HydrophobicContact CG-CD1 4.23Å; M1-I5 PolarHBondContact O-N 3.17Å; F2-I5 PolarHBondContact O-N 3.33Å; F2-I5 VanDerWaalsContact O-N 3.12Å; V3-I5 VanDerWaalsContact C-N 3.35Å; I5-L7 PolarHBondContact O-N 3.43Å; I5-L8 PolarHBondContact O-N 2.81Å; I5-I9 HydrophobicContact CG2-CD1 3.81Å; I5-I9 HydrophobicContact CG2-CG1 4.48Å; I5-I9 VanDerWaalsContact O-CG1 3.32Å; I5-I9 WeakPolarHBondContact O-CG1 3.42Å; I5-I9 PolarHBondContact O-N 3.02Å
6Y95.1Very high92.7Very high158 Ų158100.4 Ų100.462%0.6254%0.542SS*.Hα-helixtrans-62.7-41176.9-69.4-57.5000112.5F2 V3 I9 A10F2-Y6 HydrophobicContact CB-CD2 4.23Å; F2-Y6 HydrophobicContact CB-CE2 3.87Å; F2-Y6 WeakPolarHBondContact O-CD2 3.16Å; F2-Y6 PolarHBondContact O-N 3.39Å; V3-Y6 PolarHBondContact O-N 2.89Å; Y6-I9 PolarHBondContact O-N 3.28Å; Y6-A10 VanDerWaalsContact O-CB 3.3Å; Y6-A10 WeakPolarHBondContact O-CB 3.36Å; Y6-A10 PolarHBondContact O-N 3.49Å
7L94.8Very high92.6Very high95 Ų95101.9 Ų101.950%0.49754%0.54SS..Hα-helixtrans-62.6-43.9175-78169.8000111.7V3 L4 I5 A10 I11V3-L7 HydrophobicContact CG1-CD1 4.06Å; V3-L7 WeakPolarHBondContact O-CB 3.36Å; V3-L7 WeakPolarHBondContact O-CG 3.36Å; V3-L7 PolarHBondContact O-N 3.49Å; L4-L7 PolarHBondContact O-N 3.16Å; I5-L7 PolarHBondContact O-N 3.43Å; L7-A10 PolarHBondContact O-N 2.9Å; L7-I11 WeakPolarHBondContact O-CB 3.42Å; L7-I11 WeakPolarHBondContact O-CD1 3.31Å; L7-I11 WeakPolarHBondContact O-CG1 3.4Å; L7-I11 PolarHBondContact O-N 3.44Å
8L94.5Very high92.5Very high118 Ų118101.2 Ų101.262%0.61854%0.535SS*.Hα-helixtrans-62.2-44.9176.8-76.8167.1000111.7L4 I5 I11 S12L4-L8 WeakPolarHBondContact O-CB 3.37Å; L4-L8 VanDerWaalsContact O-CG 3.3Å; L4-L8 WeakPolarHBondContact O-CG 3.26Å; L4-L8 PolarHBondContact O-N 3Å; I5-L8 PolarHBondContact O-N 2.81Å; L8-I11 PolarHBondContact O-N 3.42Å; L8-S12 WeakPolarHBondContact O-CB 3.38Å; L8-S12 PolarHBondContact O-N 2.91Å; L8-S12 PolarHBondContact O-OG 2.86Å; L8-S12 VanDerWaalsContact O-OG 3.13Å
9I95.3Very high92.3Very high87 Ų87100.5 Ų100.545%0.44653%0.525SS..Hα-helixtrans-63.4-42.7176.9-67.6168.1000110.9I5 Y6 S12 S13I5-I9 HydrophobicContact CG2-CD1 3.81Å; I5-I9 HydrophobicContact CG2-CG1 4.48Å; I5-I9 VanDerWaalsContact O-CG1 3.32Å; I5-I9 WeakPolarHBondContact O-CG1 3.42Å; I5-I9 PolarHBondContact O-N 3.02Å; Y6-I9 PolarHBondContact O-N 3.28Å; I9-S12 WeakPolarHBondContact CA-OG 3.18Å; I9-S12 PolarHBondContact O-N 2.78Å; I9-S12 PolarHBondContact O-OG 3.3Å; I9-S13 VanDerWaalsContact O-CB 3.23Å; I9-S13 WeakPolarHBondContact O-CB 3.45Å; I9-S13 PolarHBondContact O-N 2.96Å; I9-S13 PolarHBondContact O-OG 3.43Å
10A94.4Very high92.2Very high58 Ų58101.3 Ų101.348%0.47953%0.526SS..Hα-helixtrans-63.5-45.1178.200000111.4Y6 L7 S13 L14Y6-A10 VanDerWaalsContact O-CB 3.3Å; Y6-A10 WeakPolarHBondContact O-CB 3.36Å; Y6-A10 PolarHBondContact O-N 3.49Å; L7-A10 PolarHBondContact O-N 2.9Å; A10-S13 PolarHBondContact O-N 2.87Å; A10-L14 VanDerWaalsContact O-CB 3.29Å; A10-L14 WeakPolarHBondContact O-CB 3.48Å; A10-L14 PolarHBondContact O-N 3.47Å
11I94.2Very high92.2Very high92 Ų92102.5 Ų102.547%0.47252%0.524SS..Hα-helixtrans-64-46.1176.7-68.9166000110.4L7 L8 S13 L14 L15L7-I11 WeakPolarHBondContact O-CB 3.42Å; L7-I11 WeakPolarHBondContact O-CD1 3.31Å; L7-I11 WeakPolarHBondContact O-CG1 3.4Å; L7-I11 PolarHBondContact O-N 3.44Å; L8-I11 PolarHBondContact O-N 3.42Å; I11-S13 VanDerWaalsContact C-N 3.34Å; I11-S13 PolarHBondContact O-N 2.75Å; I11-L14 PolarHBondContact O-N 3.43Å; I11-L15 HydrophobicContact CG2-CD1 3.83Å; I11-L15 HydrophobicContact CG2-CG 4.29Å; I11-L15 WeakPolarHBondContact O-CB 3.32Å; I11-L15 VanDerWaalsContact O-CG 3.23Å; I11-L15 WeakPolarHBondContact O-CG 3.49Å; I11-L15 PolarHBondContact O-N 3.31Å
12S93.9Very high92.7Very high64 Ų6496.6 Ų96.645%0.44850%0.495SS..Hα-helixtrans-64.2-39.6179.162.20000112.1L8 I9 L15 A16L8-S12 WeakPolarHBondContact O-CB 3.38Å; L8-S12 PolarHBondContact O-N 2.91Å; L8-S12 PolarHBondContact O-OG 2.86Å; L8-S12 VanDerWaalsContact O-OG 3.13Å; I9-S12 WeakPolarHBondContact CA-OG 3.18Å; I9-S12 PolarHBondContact O-N 2.78Å; I9-S12 PolarHBondContact O-OG 3.3Å; S12-L15 PolarHBondContact O-N 3.12Å; S12-A16 VanDerWaalsContact O-CB 3.29Å; S12-A16 WeakPolarHBondContact O-CB 3.48Å; S12-A16 PolarHBondContact O-N 3.43Å
13S94.8Very high92.8Very high68 Ų6891 Ų9148%0.47647%0.471SS..Hα-helixtrans-67.6-41.7178.1-570000111.2I9 A10 I11 A16 Y17I9-S13 VanDerWaalsContact O-CB 3.23Å; I9-S13 WeakPolarHBondContact O-CB 3.45Å; I9-S13 PolarHBondContact O-N 2.96Å; I9-S13 PolarHBondContact O-OG 3.43Å; A10-S13 PolarHBondContact O-N 2.87Å; I11-S13 VanDerWaalsContact C-N 3.34Å; I11-S13 PolarHBondContact O-N 2.75Å; S13-A16 PolarHBondContact O-N 3.26Å; S13-Y17 WeakPolarHBondContact O-CB 3.32Å; S13-Y17 PolarHBondContact O-N 3.41Å
14L93.5Very high92.9Very high99 Ų9988 Ų8852%0.51845%0.452SS..Hα-helixtrans-63.2-45.6174179.462.1000111.3A10 I11 Y17 L18A10-L14 VanDerWaalsContact O-CB 3.29Å; A10-L14 WeakPolarHBondContact O-CB 3.48Å; A10-L14 PolarHBondContact O-N 3.47Å; I11-L14 PolarHBondContact O-N 3.43Å; L14-Y17 PolarHBondContact O-N 3.31Å; L14-L18 HydrophobicContact CD1-CD1 4.17Å; L14-L18 HydrophobicContact CD1-CG 4.13Å; L14-L18 HydrophobicContact CG-CD1 4.04Å; L14-L18 HydrophobicContact CG-CG 4.4Å; L14-L18 WeakPolarHBondContact O-CB 3.37Å; L14-L18 VanDerWaalsContact O-CG 3.25Å; L14-L18 WeakPolarHBondContact O-CG 3.33Å; L14-L18 PolarHBondContact O-N 2.86Å
15L90.4Very high93Very high107 Ų10783.5 Ų83.556%0.5643%0.426SS*.Hα-helixtrans-62.2-43.9177-71.9173.3000111.4I11 S12 L18 Y19I11-L15 HydrophobicContact CG2-CD1 3.83Å; I11-L15 HydrophobicContact CG2-CG 4.29Å; I11-L15 WeakPolarHBondContact O-CB 3.32Å; I11-L15 VanDerWaalsContact O-CG 3.23Å; I11-L15 WeakPolarHBondContact O-CG 3.49Å; I11-L15 PolarHBondContact O-N 3.31Å; S12-L15 PolarHBondContact O-N 3.12Å; L15-L18 PolarHBondContact O-N 3.45Å; L15-Y19 WeakPolarHBondContact O-CB 3.41Å; L15-Y19 PolarHBondContact O-N 3.32Å
16A91.5Very high93.2Very high57 Ų5779.9 Ų79.947%0.47141%0.408SS..Hα-helixtrans-62.9-42.4175.900000111.9S12 S13 Y19 H20S12-A16 VanDerWaalsContact O-CB 3.29Å; S12-A16 WeakPolarHBondContact O-CB 3.48Å; S12-A16 PolarHBondContact O-N 3.43Å; S13-A16 PolarHBondContact O-N 3.26Å; A16-Y19 PolarHBondContact O-N 3.21Å; A16-H20 VanDerWaalsContact O-CB 3.25Å; A16-H20 WeakPolarHBondContact O-CB 3.33Å; A16-H20 PolarHBondContact O-N 2.9Å
17Y92.6Very high93.2Very high127 Ų12777.3 Ų77.350%0.49841%0.405SS..Hα-helixtrans-63.4-48.5175.1171.3-97.6000111.9S13 L14 Y19 H20 R21S13-Y17 WeakPolarHBondContact O-CB 3.32Å; S13-Y17 PolarHBondContact O-N 3.41Å; L14-Y17 PolarHBondContact O-N 3.31Å; Y17-Y19 VanDerWaalsContact C-N 3.3Å; Y17-Y19 PolarHBondContact O-N 3.38Å; Y17-H20 PolarHBondContact O-N 2.89Å; Y17-R21 WeakPolarHBondContact O-CB 3.42Å; Y17-R21 PolarHBondContact O-N 3.15Å; Y17-R21 PolarHBondContact OH-NH1 3.31Å
18L90.1Very high93.2Very high88 Ų8878.7 Ų78.746%0.46140%0.403SS..Hα-helixtrans-62.1-41.5178.7-71.6175.9000111.2L14 L15 N22L14-L18 HydrophobicContact CD1-CD1 4.17Å; L14-L18 HydrophobicContact CD1-CG 4.13Å; L14-L18 HydrophobicContact CG-CD1 4.04Å; L14-L18 HydrophobicContact CG-CG 4.4Å; L14-L18 WeakPolarHBondContact O-CB 3.37Å; L14-L18 VanDerWaalsContact O-CG 3.25Å; L14-L18 WeakPolarHBondContact O-CG 3.33Å; L14-L18 PolarHBondContact O-N 2.86Å; L15-L18 PolarHBondContact O-N 3.45Å; L18-N22 WeakPolarHBondContact O-CB 3.32Å; L18-N22 PolarHBondContact O-N 3.46Å
19Y88.1Confident93.2Very high88 Ų8876.5 Ų76.535%0.34539%0.387SS..Hα-helixtrans-62.9-50.8176.1177.9-91.2000111.9L15 A16 Y17 R21 N22 F23 P38L15-Y19 WeakPolarHBondContact O-CB 3.41Å; L15-Y19 PolarHBondContact O-N 3.32Å; A16-Y19 PolarHBondContact O-N 3.21Å; Y17-Y19 VanDerWaalsContact C-N 3.3Å; Y17-Y19 PolarHBondContact O-N 3.38Å; Y19-R21 PolarHBondContact O-N 3.48Å; Y19-N22 WeakPolarHBondContact O-CB 3.38Å; Y19-N22 PolarHBondContact O-N 2.92Å; Y19-F23 HydrophobicContact CE1-CD2 4.06Å; Y19-F23 HydrophobicContact CE1-CE2 4.36Å; Y19-F23 HydrophobicContact CE1-CG 4.41Å; Y19-F23 HydrophobicContact CE2-CD1 4.44Å; Y19-F23 HydrophobicContact CE2-CD2 4.42Å; Y19-F23 HydrophobicContact CE2-CE1 4.05Å; Y19-F23 HydrophobicContact CE2-CE2 4.08Å; Y19-F23 AromaticContact CE2-CZ 3.89Å; Y19-F23 HydrophobicContact CE2-CZ 3.89Å; Y19-F23 AromaticContact CZ-CD2 3.78Å; Y19-F23 AromaticContact CZ-CE2 3.63Å; Y19-F23 AromaticContact CZ-CZ 3.93Å; Y19-F23 PolarHBondContact O-N 3.1Å; Y19-F23 WeakPolarHBondContact OH-CE2 2.9Å; Y19-P38 WeakPolarHBondContact OH-CA 3.36Å; Y19-P38 WeakPolarHBondContact OH-CB 3.39Å; Y19-P38 PolarHBondContact OH-O 2.7Å
20H90.4Very high93.2Very high117 Ų11775 Ų7554%0.54239%0.393SS..Hα-helixtrans-62-42.9176.9-178.480.2000111.7A16 Y17 N22 F23 N24A16-H20 VanDerWaalsContact O-CB 3.25Å; A16-H20 WeakPolarHBondContact O-CB 3.33Å; A16-H20 PolarHBondContact O-N 2.9Å; Y17-H20 PolarHBondContact O-N 2.89Å; H20-N22 VanDerWaalsContact C-N 3.28Å; H20-N22 PolarHBondContact O-N 3.04Å; H20-F23 PolarHBondContact O-N 2.7Å; H20-N24 PolarHBondContact CE1-ND2 3.11Å; H20-N24 PolarHBondContact NE2-ND2 2.98Å; H20-N24 WeakPolarHBondContact O-CB 3.46Å; H20-N24 PolarHBondContact O-N 2.88Å
21R91.8Very high93.3Very high126 Ų12672.6 Ų72.648%0.47537%0.372SS..Hα-helixtrans-61.2-39.3175.6-178.9175.9175161.5-4.3111.2Y17 Y19 R28Y17-R21 WeakPolarHBondContact O-CB 3.42Å; Y17-R21 PolarHBondContact O-N 3.15Å; Y17-R21 PolarHBondContact OH-NH1 3.31Å; Y19-R21 PolarHBondContact O-N 3.48Å; R21-R28 VanDerWaalsContact O-CZ 3.23Å; R21-R28 PolarHBondContact O-NH1 2.65Å; R21-R28 PolarHBondContact O-NH2 2.98Å
22N91.5Very high93.5Very high45 Ų4569.9 Ų69.924%0.24136%0.361CS..Hα-helixtrans-67.7-44.7177.3-176.364.5000111.5L18 Y19 H20 N24 Y25 Y74 H77 P79L18-N22 WeakPolarHBondContact O-CB 3.32Å; L18-N22 PolarHBondContact O-N 3.46Å; Y19-N22 WeakPolarHBondContact O-CB 3.38Å; Y19-N22 PolarHBondContact O-N 2.92Å; H20-N22 VanDerWaalsContact C-N 3.28Å; H20-N22 PolarHBondContact O-N 3.04Å; N22-N24 VanDerWaalsContact C-N 3.27Å; N22-N24 PolarHBondContact O-N 2.8Å; N22-Y25 WeakPolarHBondContact O-CB 3.21Å; N22-Y25 PolarHBondContact O-N 2.8Å; N22-Y25 VanDerWaalsContact O-N 3.11Å; N22-Y74 WeakPolarHBondContact O-CE1 3.34Å; N22-Y74 PolarHBondContact O-OH 2.97Å; N22-H77 PolarHBondContact ND2-O 2.87Å; N22-P79 WeakPolarHBondContact OD1-CD 3.25Å
23F92.6Very high93.6Very high18 Ų1868.7 Ų68.78%0.07935%0.348CS..Hα-helixtrans-76-13.7-177.8-83.128.5000114.1Y19 H20 P36 Y74 H77Y19-F23 HydrophobicContact CE1-CD2 4.06Å; Y19-F23 HydrophobicContact CE1-CE2 4.36Å; Y19-F23 HydrophobicContact CE1-CG 4.41Å; Y19-F23 HydrophobicContact CE2-CD1 4.44Å; Y19-F23 HydrophobicContact CE2-CD2 4.42Å; Y19-F23 HydrophobicContact CE2-CE1 4.05Å; Y19-F23 HydrophobicContact CE2-CE2 4.08Å; Y19-F23 AromaticContact CE2-CZ 3.89Å; Y19-F23 HydrophobicContact CE2-CZ 3.89Å; Y19-F23 AromaticContact CZ-CD2 3.78Å; Y19-F23 AromaticContact CZ-CE2 3.63Å; Y19-F23 AromaticContact CZ-CZ 3.93Å; Y19-F23 PolarHBondContact O-N 3.1Å; Y19-F23 WeakPolarHBondContact OH-CE2 2.9Å; H20-F23 PolarHBondContact O-N 2.7Å; F23-P36 HydrophobicContact CB-CG 3.9Å; F23-P36 HydrophobicContact CD1-CG 4.45Å; F23-P36 HydrophobicContact CD2-CB 3.89Å; F23-P36 HydrophobicContact CD2-CG 3.41Å; F23-P36 VanDerWaalsContact CD2-CG 3.41Å; F23-P36 HydrophobicContact CE2-CB 3.78Å; F23-P36 HydrophobicContact CE2-CG 3.86Å; F23-P36 HydrophobicContact CG-CB 4.4Å; F23-P36 HydrophobicContact CG-CG 3.7Å; F23-P36 HydrophobicContact CZ-CB 4.27Å; F23-Y74 HydrophobicContact CD1-CE1 4.47Å; F23-Y74 PolarHBondContact O-OH 3.49Å; F23-H77 HydrophobicContact CE1-CB 4.41Å; F23-H77 AromaticContact CE1-CD2 3.72Å; F23-H77 AromaticContact CZ-CD2 3.55Å
24N93.9Very high93.7Very high44 Ų4467.8 Ų67.824%0.23534%0.338CS..THydrogen-bonded Turntrans-97.514.6169-85.5-40.7000113.6H20 N22 W26 R28H20-N24 PolarHBondContact CE1-ND2 3.11Å; H20-N24 PolarHBondContact NE2-ND2 2.98Å; H20-N24 WeakPolarHBondContact O-CB 3.46Å; H20-N24 PolarHBondContact O-N 2.88Å; N22-N24 VanDerWaalsContact C-N 3.27Å; N22-N24 PolarHBondContact O-N 2.8Å; N24-W26 PolarHBondContact O-N 2.92Å; N24-R28 WeakPolarHBondContact O-CG 3.36Å; N24-R28 PolarHBondContact O-N 3.38Å; N24-R28 VanDerWaalsContact O-N 3.16Å; N24-R28 PolarHBondContact O-NH1 3.05Å
25Y96Very high93.7Very high22 Ų2267.3 Ų67.39%0.08635%0.349CS..THydrogen-bonded Turntrans-57.9-49.3-177.2176.2-85.9000112.6N22 R29 Y74 P79 E398 T401N22-Y25 WeakPolarHBondContact O-CB 3.21Å; N22-Y25 PolarHBondContact O-N 2.8Å; N22-Y25 VanDerWaalsContact O-N 3.11Å; Y25-R29 VanDerWaalsContact CZ-CZ 3.41Å; Y25-R29 PolarHBondContact O-NH1 3.49Å; Y25-Y74 PolarHBondContact N-OH 2.78Å; Y25-P79 HydrophobicContact CD1-CB 3.74Å; Y25-P79 HydrophobicContact CD1-CG 4.28Å; Y25-P79 HydrophobicContact CD2-CG 4.36Å; Y25-P79 HydrophobicContact CE1-CB 4.29Å; Y25-P79 HydrophobicContact CG-CB 3.98Å; Y25-P79 HydrophobicContact CG-CG 4.11Å; Y25-E398 PolarHBondContact OH-OE2 2.69Å; Y25-E398 VanDerWaalsContact OH-OE2 3.14Å; Y25-T401 PolarHBondContact OH-OG1 3.09Å; Y25-T401 VanDerWaalsContact OH-OG1 3.1Å
26W97.2Very high93.9Very high0 Ų063.3 Ų63.30%033%0.329CS..THydrogen-bonded Turntrans-74.9-36.9-178.2-66.7121.7000113.2N24 R28 R29 G30 V31 H33 F70 G72 F73 Y74 P79 A80 A81 T401N24-W26 PolarHBondContact O-N 2.92Å; W26-R28 VanDerWaalsContact C-N 3.33Å; W26-R28 PolarHBondContact O-N 3.29Å; W26-R29 PolarHBondContact O-N 3.1Å; W26-G30 PolarHBondContact O-N 3.15Å; W26-V31 HydrophobicContact CE3-CB 3.78Å; W26-V31 HydrophobicContact CE3-CG1 3.96Å; W26-V31 HydrophobicContact CE3-CG2 3.92Å; W26-V31 HydrophobicContact CZ3-CB 4.46Å; W26-V31 HydrophobicContact CZ3-CG1 4.42Å; W26-V31 HydrophobicContact CZ3-CG2 4.23Å; W26-V31 PolarHBondContact O-N 3.3Å; W26-H33 HydrophobicContact CB-CB 4.09Å; W26-H33 WeakPolarHBondContact CB-ND1 3.28Å; W26-H33 HydrophobicContact CG-CB 4.46Å; W26-F70 HydrophobicContact CE3-CE2 4.43Å; W26-F70 AromaticContact CH2-CE2 3.97Å; W26-F70 HydrophobicContact CH2-CE2 3.97Å; W26-F70 AromaticContact CZ3-CE2 3.59Å; W26-F70 HydrophobicContact CZ3-CE2 3.59Å; W26-F70 HydrophobicContact CZ3-CZ 4.35Å; W26-G72 VanDerWaalsContact CE2-CA 3.42Å; W26-G72 VanDerWaalsContact CG-CA 3.42Å; W26-F73 PolarHBondContact NE1-O 2.96Å; W26-F73 VanDerWaalsContact NE1-O 3.14Å; W26-Y74 AromaticContact CD1-CE2 3.55Å; W26-Y74 AromaticContact CD1-CZ 3.6Å; W26-Y74 PolarHBondContact N-OH 2.85Å; W26-P79 HydrophobicContact CZ2-CB 4.43Å; W26-A80 WeakPolarHBondContact CZ2-O 3.35Å; W26-A81 HydrophobicContact CH2-CB 3.96Å; W26-A81 HydrophobicContact CZ2-CB 4.4Å; W26-T401 HydrophobicContact CH2-CG2 3.93Å; W26-T401 HydrophobicContact CZ2-CG2 4.06Å
27N95.4Very high94Very high103 Ų10364 Ų6455%0.55132%0.322SS*.G310 helixtrans-57.8-44.8176.2-168.539.6000111.9R29 G30 H33N27-R29 PolarHBondContact O-N 3.41Å; N27-R29 VanDerWaalsContact O-N 3.09Å; N27-G30 PolarHBondContact O-N 3.16Å; N27-G30 VanDerWaalsContact O-N 3.12Å; N27-H33 PolarHBondContact N-CE1 3.06Å; N27-H33 VanDerWaalsContact N-CE1 3.26Å
28R94.9Very high93.8Very high125 Ų12561.3 Ų61.347%0.47232%0.32SS..G310 helixtrans-62.7-16.7177.6-73.4-166.1-56-87.1-1.7114.5R21 N24 W26R21-R28 VanDerWaalsContact O-CZ 3.23Å; R21-R28 PolarHBondContact O-NH1 2.65Å; R21-R28 PolarHBondContact O-NH2 2.98Å; N24-R28 WeakPolarHBondContact O-CG 3.36Å; N24-R28 PolarHBondContact O-N 3.38Å; N24-R28 VanDerWaalsContact O-N 3.16Å; N24-R28 PolarHBondContact O-NH1 3.05Å; W26-R28 VanDerWaalsContact C-N 3.33Å; W26-R28 PolarHBondContact O-N 3.29Å
29R94.9Very high93.5Very high71 Ų7161.6 Ų61.627%0.26832%0.322SS..G310 helixtrans-105.32.6-178.8-69.6171.2179.777.12112.7Y25 W26 N27 V31 E398Y25-R29 VanDerWaalsContact CZ-CZ 3.41Å; Y25-R29 PolarHBondContact O-NH1 3.49Å; W26-R29 PolarHBondContact O-N 3.1Å; N27-R29 PolarHBondContact O-N 3.41Å; N27-R29 VanDerWaalsContact O-N 3.09Å; R29-V31 HydrophobicContact CB-CG2 4.05Å; R29-V31 PolarHBondContact O-N 3.3Å; R29-E398 VanDerWaalsContact CZ-CD 3.5Å; R29-E398 IonicContact CZ-OE1 2.74Å; R29-E398 IonicContact CZ-OE2 2.76Å; R29-E398 VanDerWaalsContact CZ-OE2 3.31Å; R29-E398 IonicContact NE-OE1 2.56Å; R29-E398 PolarHBondContact NE-OE1 2.88Å; R29-E398 IonicContact NE-OE2 3.72Å; R29-E398 PolarHBondContact NE-OE2 3.26Å; R29-E398 IonicContact NH2-OE1 2.84Å; R29-E398 PolarHBondContact NH2-OE1 3.45Å; R29-E398 IonicContact NH2-OE2 2.83Å; R29-E398 PolarHBondContact NH2-OE2 3.37Å
30G95Very high93.6Very high56 Ų5659.8 Ų59.858%0.57731%0.314SS*.THydrogen-bonded Turntrans63.225.3-177.300000113.5W26 N27W26-G30 PolarHBondContact O-N 3.15Å; N27-G30 PolarHBondContact O-N 3.16Å; N27-G30 VanDerWaalsContact O-N 3.12Å
31V97.5Very high93.8Very high7 Ų754.2 Ų54.24%0.04229%0.289CS..  trans-94.8127.1178-178.80000109W26 R29 H33 F70 L395W26-V31 HydrophobicContact CE3-CB 3.78Å; W26-V31 HydrophobicContact CE3-CG1 3.96Å; W26-V31 HydrophobicContact CE3-CG2 3.92Å; W26-V31 HydrophobicContact CZ3-CB 4.46Å; W26-V31 HydrophobicContact CZ3-CG1 4.42Å; W26-V31 HydrophobicContact CZ3-CG2 4.23Å; W26-V31 PolarHBondContact O-N 3.3Å; R29-V31 HydrophobicContact CB-CG2 4.05Å; R29-V31 PolarHBondContact O-N 3.3Å; V31-H33 PolarHBondContact O-N 3.14Å; V31-H33 PolarHBondContact O-ND1 2.99Å; V31-F70 HydrophobicContact CG1-CD2 4.21Å; V31-F70 HydrophobicContact CG1-CE2 3.83Å; V31-F70 HydrophobicContact CG2-CE2 4.15Å; V31-F70 HydrophobicContact CG2-CZ 4.28Å; V31-L395 HydrophobicContact CG2-CD2 4.24Å
32P97.5Very high94Very high36 Ų3649.2 Ų49.223%0.23427%0.272CS..  trans-56.3138.4175.5-23.632.7000111.4Y63 F68 V71 G72P32-Y63 HydrophobicContact CB-CD1 4.31Å; P32-Y63 HydrophobicContact CB-CE1 3.9Å; P32-F68 VanDerWaalsContact CD-CE1 3.44Å; P32-F68 HydrophobicContact CG-CD1 4.12Å; P32-F68 HydrophobicContact CG-CD2 3.69Å; P32-F68 HydrophobicContact CG-CE1 3.98Å; P32-F68 HydrophobicContact CG-CE2 3.53Å; P32-F68 HydrophobicContact CG-CG 3.98Å; P32-F68 HydrophobicContact CG-CZ 3.69Å; P32-V71 HydrophobicContact CB-CG1 4.08Å; P32-V71 WeakPolarHBondContact O-CB 3.49Å; P32-G72 PolarHBondContact O-N 3.5Å
33H97Very high94.1Very high38 Ų3847.1 Ų47.118%0.17626%0.26CS..BIsolated β-bridgetrans-164159.9177.262.5-70000109.9W26 N27 V31 Y59 Y63 G72 Y74W26-H33 HydrophobicContact CB-CB 4.09Å; W26-H33 WeakPolarHBondContact CB-ND1 3.28Å; W26-H33 HydrophobicContact CG-CB 4.46Å; N27-H33 PolarHBondContact N-CE1 3.06Å; N27-H33 VanDerWaalsContact N-CE1 3.26Å; V31-H33 PolarHBondContact O-N 3.14Å; V31-H33 PolarHBondContact O-ND1 2.99Å; H33-Y59 WeakPolarHBondContact CA-OH 3.36Å; H33-Y63 PolarHBondContact O-OH 3.4Å; H33-G72 WeakPolarHBondContact CB-O 3.49Å; H33-Y74 AromaticContact CD2-CE2 3.9Å
34D96.3Very high94.1Very high49 Ų4949.8 Ų49.826%0.26228%0.278SS..PPolyproline II helixtrans-82.3144.6167-79.4-23.3000111.7P36 N42 Y59 K62 Y63D34-P36 WeakPolarHBondContact O-CD 3.46Å; D34-P36 VanDerWaalsContact O-N 3.15Å; D34-N42 WeakPolarHBondContact CB-ND2 3.39Å; D34-N42 PolarHBondContact O-ND2 2.87Å; D34-N42 VanDerWaalsContact O-ND2 3.16Å; D34-Y59 HydrophobicContact CB-CE2 3.92Å; D34-Y59 PolarHBondContact N-OH 3.14Å; D34-K62 WeakPolarHBondContact OD1-CE 3.33Å; D34-K62 IonicContact OD1-NZ 3.98Å; D34-K62 PolarHBondContact OD1-NZ 3.17Å; D34-K62 IonicContact OD2-NZ 3.99Å; D34-K62 PolarHBondContact OD2-NZ 3.47Å; D34-Y63 PolarHBondContact N-OH 2.84Å; D34-Y63 PolarHBondContact OD1-OH 3.3Å; D34-Y63 VanDerWaalsContact OD1-OH 3.07Å
35A94.1Very high94Very high90 Ų9047.9 Ų47.974%0.74427%0.269SS*.PPolyproline II helixtrans-55.2119.2172.100000109.9
36P94.1Very high93.7Very high22 Ų2248.6 Ų48.614%0.14327%0.273CS..PPolyproline II helixtrans-71.2134.4-176.825.7-33.3000111.8F23 D34 Y74F23-P36 HydrophobicContact CB-CG 3.9Å; F23-P36 HydrophobicContact CD1-CG 4.45Å; F23-P36 HydrophobicContact CD2-CB 3.89Å; F23-P36 HydrophobicContact CD2-CG 3.41Å; F23-P36 VanDerWaalsContact CD2-CG 3.41Å; F23-P36 HydrophobicContact CE2-CB 3.78Å; F23-P36 HydrophobicContact CE2-CG 3.86Å; F23-P36 HydrophobicContact CG-CB 4.4Å; F23-P36 HydrophobicContact CG-CG 3.7Å; F23-P36 HydrophobicContact CZ-CB 4.27Å; D34-P36 WeakPolarHBondContact O-CD 3.46Å; D34-P36 VanDerWaalsContact O-N 3.15Å; P36-Y74 HydrophobicContact CB-CD1 4.43Å; P36-Y74 HydrophobicContact CB-CD2 3.55Å; P36-Y74 HydrophobicContact CB-CE2 4.1Å; P36-Y74 HydrophobicContact CB-CG 3.72Å; P36-Y74 HydrophobicContact CG-CD2 3.69Å; P36-Y74 HydrophobicContact CG-CE2 3.68Å; P36-Y74 HydrophobicContact CG-CG 4.12Å
37H93.8Very high93.1Very high73 Ų7350.4 Ų50.434%0.33828%0.28SS..BIsolated β-bridgetrans-64.5140.1169.9179.8-88.1000110.6L39 Y40 G41 V44H37-L39 VanDerWaalsContact C-N 3.26Å; H37-L39 PolarHBondContact ND1-N 3.24Å; H37-L39 VanDerWaalsContact ND1-N 3.16Å; H37-L39 PolarHBondContact O-N 3.08Å; H37-Y40 AromaticContact CE1-CD2 3.72Å; H37-Y40 AromaticContact ND1-CD2 3.55Å; H37-Y40 PolarHBondContact ND1-N 2.81Å; H37-Y40 PolarHBondContact O-N 3.42Å; H37-G41 VanDerWaalsContact CB-O 3.25Å; H37-G41 WeakPolarHBondContact CB-O 3.3Å; H37-G41 PolarHBondContact N-O 3.43Å; H37-G41 WeakPolarHBondContact O-CA 3.42Å; H37-G41 PolarHBondContact O-N 3.15Å; H37-V44 HydrophobicContact CB-CG2 3.44Å; H37-V44 VanDerWaalsContact CB-CG2 3.44Å
38P87.1Confident92.8Very high70 Ų7052.4 Ų52.446%0.45528%0.283SS..THydrogen-bonded Turntrans-54.7-35.1-171.5-32.737.1000117.3Y19 H77Y19-P38 WeakPolarHBondContact OH-CA 3.36Å; Y19-P38 WeakPolarHBondContact OH-CB 3.39Å; Y19-P38 PolarHBondContact OH-O 2.7Å; P38-H77 PolarHBondContact O-NE2 3.17Å
39L85.4Confident92.6Very high94 Ų9451.7 Ų51.749%0.49229%0.289SS..THydrogen-bonded Turntrans-103.9-27.9-179.1-63.3176.5000114H37H37-L39 VanDerWaalsContact C-N 3.26Å; H37-L39 PolarHBondContact ND1-N 3.24Å; H37-L39 VanDerWaalsContact ND1-N 3.16Å; H37-L39 PolarHBondContact O-N 3.08Å
40Y90.5Very high92.6Very high49 Ų4951.6 Ų51.619%0.19229%0.289CS..THydrogen-bonded Turntrans-114-3.5-166.4-72-75.6000112.6H37 N42 M43H37-Y40 AromaticContact CE1-CD2 3.72Å; H37-Y40 AromaticContact ND1-CD2 3.55Å; H37-Y40 PolarHBondContact ND1-N 2.81Å; H37-Y40 PolarHBondContact O-N 3.42Å; Y40-N42 PolarHBondContact O-N 2.99Å; Y40-M43 WeakPolarHBondContact O-CA 3.5Å; Y40-M43 WeakPolarHBondContact O-CB 3.31Å; Y40-M43 PolarHBondContact O-N 3.49Å
41G93.6Very high92.5Very high1 Ų149.7 Ų49.71%0.0127%0.266CS..BIsolated β-bridgetrans56.7-128.9-170.600000110.1H37 M43 L76H37-G41 VanDerWaalsContact CB-O 3.25Å; H37-G41 WeakPolarHBondContact CB-O 3.3Å; H37-G41 PolarHBondContact N-O 3.43Å; H37-G41 WeakPolarHBondContact O-CA 3.42Å; H37-G41 PolarHBondContact O-N 3.15Å; G41-M43 VanDerWaalsContact C-N 3.3Å; G41-L76 VanDerWaalsContact CA-O 3.22Å; G41-L76 WeakPolarHBondContact CA-O 3.36Å; G41-L76 PolarHBondContact N-O 3.41Å
42N95.8Very high92.3Very high21 Ų2150.3 Ų50.311%0.11227%0.269CS..THydrogen-bonded Turntrans-91.213.3174.9-57.2120.1000113.4D34 Y40 Y59 F73 Y74D34-N42 WeakPolarHBondContact CB-ND2 3.39Å; D34-N42 PolarHBondContact O-ND2 2.87Å; D34-N42 VanDerWaalsContact O-ND2 3.16Å; Y40-N42 PolarHBondContact O-N 2.99Å; N42-Y59 HydrophobicContact CB-CE2 4.22Å; N42-F73 HydrophobicContact CB-CD2 3.79Å; N42-F73 HydrophobicContact CB-CE2 3.53Å; N42-F73 HydrophobicContact CB-CG 4.43Å; N42-F73 HydrophobicContact CB-CZ 3.97Å; N42-F73 WeakPolarHBondContact OD1-CA 3.43Å; N42-Y74 PolarHBondContact N-O 3.06Å; N42-Y74 PolarHBondContact OD1-N 3.31Å
43M93.7Very high92.2Very high0 Ų049.4 Ų49.40%026%0.261CS..  trans-112.243.1-174.8-56.4176.562.400112.9Y40 G41 G45 F46 M52 F55 F73 F75Y40-M43 WeakPolarHBondContact O-CA 3.5Å; Y40-M43 WeakPolarHBondContact O-CB 3.31Å; Y40-M43 PolarHBondContact O-N 3.49Å; G41-M43 VanDerWaalsContact C-N 3.3Å; M43-G45 PolarHBondContact O-N 3.36Å; M43-G45 VanDerWaalsContact O-N 3.14Å; M43-F46 HydrophobicContact CB-CB 4.07Å; M43-F46 HydrophobicContact CE-CB 4.27Å; M43-F46 HydrophobicContact CE-CD1 4.49Å; M43-F46 HydrophobicContact CE-CD2 3.52Å; M43-F46 HydrophobicContact CE-CE2 3.9Å; M43-F46 HydrophobicContact CE-CG 3.85Å; M43-F46 VanDerWaalsContact O-CB 3.24Å; M43-F46 WeakPolarHBondContact O-CB 3.38Å; M43-F46 PolarHBondContact O-N 3.37Å; M43-M52 HydrophobicContact CE-CE 3.6Å; M43-M52 HydrophobicContact CE-SD 3.27Å; M43-M52 WeakPolarHBondContact CE-SD 3.47Å; M43-F55 VanDerWaalsContact C-CE1 3.5Å; M43-F55 HydrophobicContact CB-CD1 4.5Å; M43-F55 HydrophobicContact CB-CD2 4.45Å; M43-F55 HydrophobicContact CB-CE1 4.43Å; M43-F55 HydrophobicContact CB-CE2 4.41Å; M43-F55 HydrophobicContact CB-CZ 4.39Å; M43-F55 HydrophobicContact CE-CD2 4.35Å; M43-F73 HydrophobicContact CG-CE1 4.04Å; M43-F73 HydrophobicContact CG-CZ 3.69Å; M43-F73 HydrophobicContact SD-CE1 4.24Å; M43-F73 HydrophobicContact SD-CZ 4.39Å; M43-F75 HydrophobicContact CE-CD2 4.38Å; M43-F75 HydrophobicContact CE-CE2 3.95Å; M43-F75 HydrophobicContact CE-CZ 4.08Å; M43-F75 HydrophobicContact SD-CB 4.4Å; M43-F75 HydrophobicContact SD-CD1 4.12Å; M43-F75 HydrophobicContact SD-CD2 3.58Å; M43-F75 VanDerWaalsContact SD-CD2 3.58Å; M43-F75 HydrophobicContact SD-CE1 4.25Å; M43-F75 HydrophobicContact SD-CE2 3.76Å; M43-F75 HydrophobicContact SD-CG 3.78Å; M43-F75 HydrophobicContact SD-CZ 4.08Å
44V93.6Very high92.2Very high74 Ų7450.4 Ų50.445%0.44827%0.268SS..THydrogen-bonded Turntrans-62.8115.1-179.4178.20000110.5H37 F55H37-V44 HydrophobicContact CB-CG2 3.44Å; H37-V44 VanDerWaalsContact CB-CG2 3.44Å; V44-F55 VanDerWaalsContact O-CE1 3.24Å; V44-F55 WeakPolarHBondContact O-CE1 3.41Å
45G91.2Very high92.1Very high5 Ų548.3 Ų48.35%0.05226%0.256CS..THydrogen-bonded Turntrans106.9-0.5-175.400000114.4M43 R47 K48 N49 R50M43-G45 PolarHBondContact O-N 3.36Å; M43-G45 VanDerWaalsContact O-N 3.14Å; G45-R47 PolarHBondContact O-N 2.66Å; G45-K48 WeakPolarHBondContact O-CB 3.45Å; G45-K48 PolarHBondContact O-N 2.93Å; G45-N49 WeakPolarHBondContact CA-OD1 3.43Å; G45-N49 PolarHBondContact O-N 3.15Å; G45-N49 PolarHBondContact O-OD1 3.49Å; G45-R50 PolarHBondContact O-N 3Å
46F88.7Confident92.3Very high36 Ų3644 Ų4416%0.15822%0.221CC..BIsolated β-bridgetrans-57.4129.5178176.4-114.3000111.2M43 K48 M52 F55M43-F46 HydrophobicContact CB-CB 4.07Å; M43-F46 HydrophobicContact CE-CB 4.27Å; M43-F46 HydrophobicContact CE-CD1 4.49Å; M43-F46 HydrophobicContact CE-CD2 3.52Å; M43-F46 HydrophobicContact CE-CE2 3.9Å; M43-F46 HydrophobicContact CE-CG 3.85Å; M43-F46 VanDerWaalsContact O-CB 3.24Å; M43-F46 WeakPolarHBondContact O-CB 3.38Å; M43-F46 PolarHBondContact O-N 3.37Å; F46-K48 PolarHBondContact O-N 3.03Å; F46-M52 HydrophobicContact CD2-SD 3.69Å; F46-M52 HydrophobicContact CE2-CG 4.33Å; F46-M52 HydrophobicContact CE2-SD 3.48Å; F46-M52 WeakPolarHBondContact CE2-SD 3.44Å; F46-F55 HydrophobicContact CB-CE2 4.01Å; F46-F55 HydrophobicContact CB-CZ 4.15Å; F46-F55 HydrophobicContact CD2-CE2 4.29Å
47R85.4Confident92.4Very high39 Ų3946.1 Ų46.115%0.14723%0.226CC..THydrogen-bonded Turntrans50.437.6-173.4-59.7-174.769.3102.52.8112.9G45 T215 P488 M489G45-R47 PolarHBondContact O-N 2.66Å; R47-T215 PolarHBondContact NH2-O 3.11Å; R47-P488 VanDerWaalsContact CA-O 3.28Å; R47-P488 WeakPolarHBondContact CA-O 3.33Å; R47-M489 VanDerWaalsContact C-CE 3.42Å; R47-M489 HydrophobicContact CB-CE 4.48Å; R47-M489 HydrophobicContact CB-SD 4.09Å; R47-M489 VanDerWaalsContact CZ-O 3.3Å; R47-M489 PolarHBondContact NH1-O 3.16Å; R47-M489 PolarHBondContact NH2-O 3.12Å; R47-M489 WeakPolarHBondContact O-CE 3.46Å
48K88.7Confident92.6Very high144 Ų14446.5 Ų46.563%0.62623%0.231SC*.THydrogen-bonded Turntrans-134.3-64.6172.8-172.4-176.6178.6-173.90110.8G45 F46G45-K48 WeakPolarHBondContact O-CB 3.45Å; G45-K48 PolarHBondContact O-N 2.93Å; F46-K48 PolarHBondContact O-N 3.03Å
49N91.9Very high93.1Very high111 Ų11143.7 Ų43.759%0.59421%0.211SC*.THydrogen-bonded Turntrans-146.64.3-17264.2-20.2000114.1G45G45-N49 WeakPolarHBondContact CA-OD1 3.43Å; G45-N49 PolarHBondContact O-N 3.15Å; G45-N49 PolarHBondContact O-OD1 3.49Å
50R93.7Very high93.7Very high68 Ų6839.7 Ų39.726%0.25719%0.19SC..BIsolated β-bridgetrans-133.6145.2177.8-68.7-173.565.2174.65.1110.7G45 D54 F55 D58 P488G45-R50 PolarHBondContact O-N 3Å; R50-D54 PolarHBondContact NH2-O 3.4Å; R50-D54 VanDerWaalsContact NH2-O 3.13Å; R50-F55 HydrophobicContact CB-CE1 3.92Å; R50-F55 HydrophobicContact CB-CE2 3.92Å; R50-F55 HydrophobicContact CB-CZ 3.41Å; R50-F55 VanDerWaalsContact CB-CZ 3.41Å; R50-F55 HydrophobicContact CG-CE1 4.41Å; R50-F55 HydrophobicContact CG-CZ 4.3Å; R50-D58 IonicContact CZ-OD2 2.81Å; R50-D58 IonicContact NH1-OD2 2.71Å; R50-D58 IonicContact NH2-OD2 3.11Å; R50-D58 PolarHBondContact NH2-OD2 2.97Å; R50-P488 WeakPolarHBondContact O-CB 3.42Å
51V94.2Very high94.1Very high16 Ų1640 Ų4010%0.09720%0.195CC..  trans-93.1163.6173.4-67.50000111.2H53 D54 F55V51-H53 HydrophobicContact CG2-CB 3.9Å; V51-H53 PolarHBondContact O-N 3.4Å; V51-D54 WeakPolarHBondContact CG2-OD1 3.37Å; V51-D54 WeakPolarHBondContact CG2-OD2 3.37Å; V51-D54 PolarHBondContact N-OD2 3.39Å; V51-D54 PolarHBondContact O-N 2.84Å; V51-F55 VanDerWaalsContact O-CD2 3.27Å; V51-F55 WeakPolarHBondContact O-CD2 3.34Å
52M92.8Very high94.3Very high21 Ų2145.7 Ų45.710%0.10322%0.219CC..Hα-helixtrans-55.6-35.7176.9-68.7-59.6-80.800112.8M43 F46 D54 F55 F56 F75 P377M43-M52 HydrophobicContact CE-CE 3.6Å; M43-M52 HydrophobicContact CE-SD 3.27Å; M43-M52 WeakPolarHBondContact CE-SD 3.47Å; F46-M52 HydrophobicContact CD2-SD 3.69Å; F46-M52 HydrophobicContact CE2-CG 4.33Å; F46-M52 HydrophobicContact CE2-SD 3.48Å; F46-M52 WeakPolarHBondContact CE2-SD 3.44Å; M52-D54 PolarHBondContact O-N 3.09Å; M52-F55 PolarHBondContact O-N 3.08Å; M52-F55 HydrophobicContact SD-CD2 4.32Å; M52-F56 HydrophobicContact CB-CE2 4.09Å; M52-F56 HydrophobicContact CE-CE1 4.49Å; M52-F56 HydrophobicContact CE-CE2 3.57Å; M52-F56 HydrophobicContact CE-CZ 3.38Å; M52-F56 WeakPolarHBondContact O-CD2 3.48Å; M52-F56 WeakPolarHBondContact O-CG 3.37Å; M52-F56 PolarHBondContact O-N 3.43Å; M52-F75 HydrophobicContact CE-CE2 3.64Å; M52-F75 HydrophobicContact CE-CZ 4.15Å; M52-P377 HydrophobicContact CB-CG 3.57Å
53H95.3Very high94.4Very high17 Ų1745.9 Ų45.98%0.07922%0.218CC..Hα-helixtrans-56.6-48.2177.9-144.7-80.5000111.6V51 F55 F56 Y57 C408 L493V51-H53 HydrophobicContact CG2-CB 3.9Å; V51-H53 PolarHBondContact O-N 3.4Å; H53-F55 PolarHBondContact O-N 2.96Å; H53-F56 PolarHBondContact O-N 2.95Å; H53-Y57 WeakPolarHBondContact O-CB 3.25Å; H53-Y57 PolarHBondContact O-N 3.02Å; H53-C408 VanDerWaalsContact CD2-CB 3.42Å; H53-C408 WeakPolarHBondContact CD2-CB 3.27Å; H53-C408 WeakPolarHBondContact NE2-CB 3.42Å; H53-L493 HydrophobicContact CB-CD1 4.32Å
54D95.6Very high94.5Very high58 Ų5847.6 Ų47.631%0.3123%0.225SC..Hα-helixtrans-61.9-44-178.2-48.2-26.6000111.3R50 V51 M52 F56 D58R50-D54 PolarHBondContact NH2-O 3.4Å; R50-D54 VanDerWaalsContact NH2-O 3.13Å; V51-D54 WeakPolarHBondContact CG2-OD1 3.37Å; V51-D54 WeakPolarHBondContact CG2-OD2 3.37Å; V51-D54 PolarHBondContact N-OD2 3.39Å; V51-D54 PolarHBondContact O-N 2.84Å; M52-D54 PolarHBondContact O-N 3.09Å; D54-F56 VanDerWaalsContact C-N 3.35Å; D54-F56 PolarHBondContact O-N 2.93Å; D54-D58 WeakPolarHBondContact O-CB 3.31Å; D54-D58 PolarHBondContact O-N 3.24Å
55F95.6Very high94.6Very high5 Ų551.2 Ų51.22%0.02224%0.235CC..Hα-helixtrans-60.2-47.4-178.7-65.2-56.8000111.4M43 V44 F46 R50 V51 M52 H53 Y59M43-F55 VanDerWaalsContact C-CE1 3.5Å; M43-F55 HydrophobicContact CB-CD1 4.5Å; M43-F55 HydrophobicContact CB-CD2 4.45Å; M43-F55 HydrophobicContact CB-CE1 4.43Å; M43-F55 HydrophobicContact CB-CE2 4.41Å; M43-F55 HydrophobicContact CB-CZ 4.39Å; M43-F55 HydrophobicContact CE-CD2 4.35Å; V44-F55 VanDerWaalsContact O-CE1 3.24Å; V44-F55 WeakPolarHBondContact O-CE1 3.41Å; F46-F55 HydrophobicContact CB-CE2 4.01Å; F46-F55 HydrophobicContact CB-CZ 4.15Å; F46-F55 HydrophobicContact CD2-CE2 4.29Å; R50-F55 HydrophobicContact CB-CE1 3.92Å; R50-F55 HydrophobicContact CB-CE2 3.92Å; R50-F55 HydrophobicContact CB-CZ 3.41Å; R50-F55 VanDerWaalsContact CB-CZ 3.41Å; R50-F55 HydrophobicContact CG-CE1 4.41Å; R50-F55 HydrophobicContact CG-CZ 4.3Å; V51-F55 VanDerWaalsContact O-CD2 3.27Å; V51-F55 WeakPolarHBondContact O-CD2 3.34Å; M52-F55 PolarHBondContact O-N 3.08Å; M52-F55 HydrophobicContact SD-CD2 4.32Å; H53-F55 PolarHBondContact O-N 2.96Å; F55-Y59 VanDerWaalsContact O-CB 3.22Å; F55-Y59 WeakPolarHBondContact O-CB 3.49Å; F55-Y59 PolarHBondContact O-N 3.23Å; F55-Y59 VanDerWaalsContact O-N 3.17Å
56F97.1Very high94.8Very high0 Ų053.1 Ų53.10%025%0.247CC..Hα-helixtrans-78-35.4-175.5-58.4-40000112.5M52 H53 D54 Y60 F73 F82 P377 H378 I404 P406M52-F56 HydrophobicContact CB-CE2 4.09Å; M52-F56 HydrophobicContact CE-CE1 4.49Å; M52-F56 HydrophobicContact CE-CE2 3.57Å; M52-F56 HydrophobicContact CE-CZ 3.38Å; M52-F56 WeakPolarHBondContact O-CD2 3.48Å; M52-F56 WeakPolarHBondContact O-CG 3.37Å; M52-F56 PolarHBondContact O-N 3.43Å; H53-F56 PolarHBondContact O-N 2.95Å; D54-F56 VanDerWaalsContact C-N 3.35Å; D54-F56 PolarHBondContact O-N 2.93Å; F56-Y60 WeakPolarHBondContact O-CB 3.31Å; F56-Y60 PolarHBondContact O-N 3.33Å; F56-F73 HydrophobicContact CD1-CZ 4.34Å; F56-F73 HydrophobicContact CE1-CE1 4.22Å; F56-F73 AromaticContact CE1-CZ 3.96Å; F56-F73 HydrophobicContact CE1-CZ 3.96Å; F56-F82 HydrophobicContact CB-CE2 4.11Å; F56-F82 HydrophobicContact CB-CZ 4.1Å; F56-F82 HydrophobicContact CD1-CD2 4.38Å; F56-F82 AromaticContact CD1-CE2 3.5Å; F56-F82 HydrophobicContact CD1-CE2 3.5Å; F56-F82 HydrophobicContact CD1-CZ 4.31Å; F56-F82 HydrophobicContact CE1-CE2 4.24Å; F56-F82 HydrophobicContact CG-CE2 4.1Å; F56-P377 HydrophobicContact CD2-CB 4.32Å; F56-P377 HydrophobicContact CE2-CG 4.44Å; F56-H378 HydrophobicContact CD2-CB 3.87Å; F56-H378 HydrophobicContact CE2-CB 3.57Å; F56-H378 AromaticContact CE2-CE1 3.86Å; F56-H378 AromaticContact CE2-CG 3.31Å; F56-H378 AromaticContact CE2-ND1 3.22Å; F56-H378 WeakPolarHBondContact CE2-ND1 3.5Å; F56-H378 HydrophobicContact CZ-CB 4.1Å; F56-H378 AromaticContact CZ-CD2 3.85Å; F56-H378 AromaticContact CZ-CG 3.63Å; F56-H378 AromaticContact CZ-ND1 3.78Å; F56-I404 HydrophobicContact CD1-CG2 4.43Å; F56-I404 HydrophobicContact CE1-CD1 4.41Å; F56-I404 HydrophobicContact CE1-CG2 4.06Å; F56-I404 HydrophobicContact CZ-CG2 4.34Å; F56-P406 HydrophobicContact CB-CB 3.97Å
57Y97.2Very high95.1Very high66 Ų6654.4 Ų54.426%0.25927%0.271SS..Hα-helixtrans-63.1-51.2175.4-179.1-107.6000111.6H53 Y59 Y60 N61 R412H53-Y57 WeakPolarHBondContact O-CB 3.25Å; H53-Y57 PolarHBondContact O-N 3.02Å; Y57-Y59 VanDerWaalsContact C-N 3.35Å; Y57-Y59 PolarHBondContact O-N 3.29Å; Y57-Y60 PolarHBondContact O-N 3.25Å; Y57-N61 WeakPolarHBondContact CE1-ND2 3.26Å; Y57-N61 WeakPolarHBondContact CE2-ND2 3.44Å; Y57-N61 WeakPolarHBondContact O-CB 3.35Å; Y57-N61 PolarHBondContact O-N 3.21Å; Y57-N61 PolarHBondContact O-ND2 3.36Å; Y57-N61 PolarHBondContact OH-ND2 2.92Å; Y57-R412 HydrophobicContact CD2-CB 4.08Å; Y57-R412 HydrophobicContact CE2-CB 3.62Å
58D97.5Very high95.7Very high82 Ų8255.8 Ų55.844%0.43928%0.278SS..Hα-helixtrans-61.8-44.3179.2-68.1-8.3000111.4R50 D54 N61 K62R50-D58 IonicContact CZ-OD2 2.81Å; R50-D58 IonicContact NH1-OD2 2.71Å; R50-D58 IonicContact NH2-OD2 3.11Å; R50-D58 PolarHBondContact NH2-OD2 2.97Å; D54-D58 WeakPolarHBondContact O-CB 3.31Å; D54-D58 PolarHBondContact O-N 3.24Å; D58-N61 PolarHBondContact O-N 2.97Å; D58-K62 WeakPolarHBondContact O-CB 3.46Å; D58-K62 PolarHBondContact O-N 3.13Å; D58-K62 VanDerWaalsContact O-N 3.08Å
59Y98Very high96.1Very high11 Ų1149 Ų494%0.04325%0.249CC..Hα-helixtrans-65.7-43-179.4-150.4-97.7000111.7H33 D34 N42 F55 Y57 Y63 V71 G72 F73 F82H33-Y59 WeakPolarHBondContact CA-OH 3.36Å; D34-Y59 HydrophobicContact CB-CE2 3.92Å; D34-Y59 PolarHBondContact N-OH 3.14Å; N42-Y59 HydrophobicContact CB-CE2 4.22Å; F55-Y59 VanDerWaalsContact O-CB 3.22Å; F55-Y59 WeakPolarHBondContact O-CB 3.49Å; F55-Y59 PolarHBondContact O-N 3.23Å; F55-Y59 VanDerWaalsContact O-N 3.17Å; Y57-Y59 VanDerWaalsContact C-N 3.35Å; Y57-Y59 PolarHBondContact O-N 3.29Å; Y59-Y63 AromaticContact CD1-CD2 3.94Å; Y59-Y63 HydrophobicContact CD1-CD2 3.94Å; Y59-Y63 HydrophobicContact CD1-CE2 4.25Å; Y59-Y63 HydrophobicContact CD2-CE2 4.42Å; Y59-Y63 AromaticContact CE1-CD2 3.8Å; Y59-Y63 HydrophobicContact CE1-CD2 3.8Å; Y59-Y63 AromaticContact CE1-CE2 3.79Å; Y59-Y63 HydrophobicContact CE1-CE2 3.79Å; Y59-Y63 AromaticContact CE2-CE2 3.97Å; Y59-Y63 HydrophobicContact CE2-CE2 3.97Å; Y59-Y63 HydrophobicContact CG-CD2 4.4Å; Y59-Y63 AromaticContact CZ-CE2 3.62Å; Y59-Y63 WeakPolarHBondContact O-CD2 3.4Å; Y59-Y63 PolarHBondContact O-N 2.9Å; Y59-V71 HydrophobicContact CD1-CG2 4.14Å; Y59-V71 HydrophobicContact CE1-CG2 3.68Å; Y59-G72 WeakPolarHBondContact CE1-O 3.35Å; Y59-G72 PolarHBondContact OH-O 3.02Å; Y59-F73 AromaticContact CD1-CD2 3.77Å; Y59-F73 HydrophobicContact CD1-CD2 3.77Å; Y59-F73 HydrophobicContact CD1-CE2 4.44Å; Y59-F73 AromaticContact CD2-CD2 3.99Å; Y59-F73 HydrophobicContact CD2-CD2 3.99Å; Y59-F73 HydrophobicContact CD2-CE2 4.13Å; Y59-F73 HydrophobicContact CE1-CB 4.21Å; Y59-F73 AromaticContact CE1-CD2 3.76Å; Y59-F73 HydrophobicContact CE1-CD2 3.76Å; Y59-F73 HydrophobicContact CE1-CG 4.5Å; Y59-F73 AromaticContact CE2-CD2 4Å; Y59-F73 HydrophobicContact CE2-CD2 4Å; Y59-F73 HydrophobicContact CE2-CE2 4.45Å; Y59-F73 AromaticContact CG-CD2 3.88Å; Y59-F73 HydrophobicContact CG-CD2 3.88Å; Y59-F73 HydrophobicContact CG-CE2 4.12Å; Y59-F73 AromaticContact CZ-CD2 3.88Å; Y59-F82 AromaticContact CD1-CD1 3.83Å; Y59-F82 HydrophobicContact CD1-CD1 3.83Å; Y59-F82 HydrophobicContact CD1-CD2 4.45Å; Y59-F82 HydrophobicContact CD1-CE1 4.07Å; Y59-F82 HydrophobicContact CD1-CG 4.02Å; Y59-F82 HydrophobicContact CD1-CZ 4.48Å; Y59-F82 HydrophobicContact CE1-CG 4.48Å
60Y98.4Very high96.5Very high9 Ų943.8 Ų43.84%0.03522%0.221CC..Hα-helixtrans-60.9-52.8175.5177.6-100.9000111.2F56 Y57 K62 Y63 R64 F82 V84 P406 A409 Y410 D413F56-Y60 WeakPolarHBondContact O-CB 3.31Å; F56-Y60 PolarHBondContact O-N 3.33Å; Y57-Y60 PolarHBondContact O-N 3.25Å; Y60-K62 PolarHBondContact O-N 3.25Å; Y60-Y63 CarbonylContact O-C 3.56Å; Y60-Y63 PolarHBondContact O-N 3.03Å; Y60-R64 HydrophobicContact CD1-CB 4.18Å; Y60-R64 HydrophobicContact CD2-CB 4.31Å; Y60-R64 HydrophobicContact CE1-CB 3.8Å; Y60-R64 VanDerWaalsContact CE1-CD 3.48Å; Y60-R64 HydrophobicContact CE1-CG 4.24Å; Y60-R64 HydrophobicContact CE2-CB 3.91Å; Y60-R64 HydrophobicContact CG-CB 4.43Å; Y60-R64 WeakPolarHBondContact O-CB 3.43Å; Y60-R64 PolarHBondContact O-N 3.44Å; Y60-F82 HydrophobicContact CD2-CE1 4.44Å; Y60-V84 HydrophobicContact CD2-CB 4.26Å; Y60-V84 HydrophobicContact CD2-CG1 4.15Å; Y60-V84 HydrophobicContact CE2-CB 4.19Å; Y60-V84 WeakPolarHBondContact CE2-O 3.04Å; Y60-P406 HydrophobicContact CD2-CG 4.06Å; Y60-A409 VanDerWaalsContact CB-CB 3.44Å; Y60-A409 HydrophobicContact CD1-CB 3.63Å; Y60-A409 HydrophobicContact CD2-CB 4.23Å; Y60-A409 HydrophobicContact CE1-CB 4.43Å; Y60-A409 HydrophobicContact CG-CB 3.5Å; Y60-A409 VanDerWaalsContact CG-CB 3.5Å; Y60-Y410 HydrophobicContact CD2-CD1 4.26Å; Y60-Y410 HydrophobicContact CD2-CE1 4.03Å; Y60-Y410 AromaticContact CE2-CD1 3.68Å; Y60-Y410 HydrophobicContact CE2-CD1 3.68Å; Y60-Y410 AromaticContact CE2-CE1 3.51Å; Y60-Y410 HydrophobicContact CE2-CE1 3.51Å; Y60-Y410 AromaticContact CZ-CD1 3.92Å; Y60-D413 HydrophobicContact CE1-CB 4.14Å; Y60-D413 WeakPolarHBondContact CE1-OD2 3.21Å; Y60-D413 VanDerWaalsContact CZ-OD2 3.24Å; Y60-D413 PolarHBondContact OH-OD2 3.35Å
61N97.6Very high96.7Very high56 Ų5640.5 Ų40.530%0.29921%0.208SC..Hα-helixtrans-61.4-32.5-177.4-77.9-25.1000113.5Y57 D58 Y63Y57-N61 WeakPolarHBondContact CE1-ND2 3.26Å; Y57-N61 WeakPolarHBondContact CE2-ND2 3.44Å; Y57-N61 WeakPolarHBondContact O-CB 3.35Å; Y57-N61 PolarHBondContact O-N 3.21Å; Y57-N61 PolarHBondContact O-ND2 3.36Å; Y57-N61 PolarHBondContact OH-ND2 2.92Å; D58-N61 PolarHBondContact O-N 2.97Å; N61-Y63 VanDerWaalsContact C-N 3.32Å; N61-Y63 PolarHBondContact O-N 2.76Å
62K97.9Very high96.9Very high120 Ų12039.8 Ų39.852%0.52220%0.204SC..Hα-helixtrans-65.3-33.6174-178.8171.7175.8175.20113.3D34 D58 Y60D34-K62 WeakPolarHBondContact OD1-CE 3.33Å; D34-K62 IonicContact OD1-NZ 3.98Å; D34-K62 PolarHBondContact OD1-NZ 3.17Å; D34-K62 IonicContact OD2-NZ 3.99Å; D34-K62 PolarHBondContact OD2-NZ 3.47Å; D58-K62 WeakPolarHBondContact O-CB 3.46Å; D58-K62 PolarHBondContact O-N 3.13Å; D58-K62 VanDerWaalsContact O-N 3.08Å; Y60-K62 PolarHBondContact O-N 3.25Å
63Y98.2Very high97.1Very high25 Ų2538.8 Ų38.810%0.09820%0.199CC..Hα-helixtrans-115.6-10.6-170.6-71-69.9000115.2P32 H33 D34 Y59 Y60 N61 K65 S66 V71P32-Y63 HydrophobicContact CB-CD1 4.31Å; P32-Y63 HydrophobicContact CB-CE1 3.9Å; H33-Y63 PolarHBondContact O-OH 3.4Å; D34-Y63 PolarHBondContact N-OH 2.84Å; D34-Y63 PolarHBondContact OD1-OH 3.3Å; D34-Y63 VanDerWaalsContact OD1-OH 3.07Å; Y59-Y63 AromaticContact CD1-CD2 3.94Å; Y59-Y63 HydrophobicContact CD1-CD2 3.94Å; Y59-Y63 HydrophobicContact CD1-CE2 4.25Å; Y59-Y63 HydrophobicContact CD2-CE2 4.42Å; Y59-Y63 AromaticContact CE1-CD2 3.8Å; Y59-Y63 HydrophobicContact CE1-CD2 3.8Å; Y59-Y63 AromaticContact CE1-CE2 3.79Å; Y59-Y63 HydrophobicContact CE1-CE2 3.79Å; Y59-Y63 AromaticContact CE2-CE2 3.97Å; Y59-Y63 HydrophobicContact CE2-CE2 3.97Å; Y59-Y63 HydrophobicContact CG-CD2 4.4Å; Y59-Y63 AromaticContact CZ-CE2 3.62Å; Y59-Y63 WeakPolarHBondContact O-CD2 3.4Å; Y59-Y63 PolarHBondContact O-N 2.9Å; Y60-Y63 CarbonylContact O-C 3.56Å; Y60-Y63 PolarHBondContact O-N 3.03Å; N61-Y63 VanDerWaalsContact C-N 3.32Å; N61-Y63 PolarHBondContact O-N 2.76Å; Y63-K65 PolarHBondContact O-N 3.04Å; Y63-S66 WeakPolarHBondContact O-CB 3.38Å; Y63-S66 PolarHBondContact O-N 2.71Å; Y63-S66 PolarHBondContact O-OG 3.15Å; Y63-V71 HydrophobicContact CD1-CB 4.46Å; Y63-V71 HydrophobicContact CD1-CG1 3.78Å; Y63-V71 HydrophobicContact CD2-CB 4.5Å; Y63-V71 HydrophobicContact CD2-CG2 3.94Å; Y63-V71 HydrophobicContact CE1-CG1 4.49Å; Y63-V71 HydrophobicContact CG-CB 4.23Å; Y63-V71 HydrophobicContact CG-CG1 3.82Å; Y63-V71 HydrophobicContact CG-CG2 3.92Å
64R96.4Very high97.1Very high37 Ų3738 Ų3814%0.1420%0.195CC..THydrogen-bonded Turntrans-58.1-28.3-175.973.4-177-159.9117.913.6113.4Y60 D413 E414 D415Y60-R64 HydrophobicContact CD1-CB 4.18Å; Y60-R64 HydrophobicContact CD2-CB 4.31Å; Y60-R64 HydrophobicContact CE1-CB 3.8Å; Y60-R64 VanDerWaalsContact CE1-CD 3.48Å; Y60-R64 HydrophobicContact CE1-CG 4.24Å; Y60-R64 HydrophobicContact CE2-CB 3.91Å; Y60-R64 HydrophobicContact CG-CB 4.43Å; Y60-R64 WeakPolarHBondContact O-CB 3.43Å; Y60-R64 PolarHBondContact O-N 3.44Å; R64-D413 IonicContact CZ-OD1 3.78Å; R64-D413 IonicContact CZ-OD2 2.65Å; R64-D413 IonicContact NH1-OD1 3.15Å; R64-D413 PolarHBondContact NH1-OD1 2.93Å; R64-D413 IonicContact NH1-OD2 3.9Å; R64-D413 PolarHBondContact NH1-OD2 3.34Å; R64-E414 IonicContact CZ-OE1 2.66Å; R64-E414 IonicContact NH2-OE1 3.65Å; R64-E414 PolarHBondContact NH2-OE1 3.03Å; R64-D415 IonicContact CZ-OD2 3.62Å; R64-D415 IonicContact NH1-OD2 3.05Å; R64-D415 PolarHBondContact NH1-OD2 3.42Å; R64-D415 IonicContact NH2-OD1 3.92Å; R64-D415 IonicContact NH2-OD2 2.68Å; R64-D415 PolarHBondContact NH2-OD2 2.98Å
65K95.6Very high96.9Very high150 Ų15036.4 Ų36.465%0.65219%0.186SC*.THydrogen-bonded Turntrans-99.315.1176.2-58.7-172.8177.6171.10113.7Y63 G67 E414Y63-K65 PolarHBondContact O-N 3.04Å; K65-G67 VanDerWaalsContact C-N 3.27Å; K65-G67 PolarHBondContact O-N 3.27Å; K65-E414 IonicContact NZ-OE1 3.7Å
66S95.5Very high96.5Very high44 Ų4436.1 Ų36.131%0.30819%0.185SC..SBendtrans-77.2-11.4-177.776.30000114Y63 F68Y63-S66 WeakPolarHBondContact O-CB 3.38Å; Y63-S66 PolarHBondContact O-N 2.71Å; Y63-S66 PolarHBondContact O-OG 3.15Å; S66-F68 WeakPolarHBondContact O-CD2 3.12Å; S66-F68 PolarHBondContact O-N 3.33Å; S66-F68 PolarHBondContact OG-N 3.1Å
67G94.9Very high96.1Very high64 Ų6437.8 Ų37.866%0.6619%0.192SC*.SBendtrans75.16.7-17400000114.5K65K65-G67 VanDerWaalsContact C-N 3.27Å; K65-G67 PolarHBondContact O-N 3.27Å
68F97.6Very high95.8Very high68 Ų6836.3 Ų36.330%0.29819%0.187SC..  trans-99141.5172.4-74.3-106000109.3P32 S66 F70 V71 V84 L395P32-F68 VanDerWaalsContact CD-CE1 3.44Å; P32-F68 HydrophobicContact CG-CD1 4.12Å; P32-F68 HydrophobicContact CG-CD2 3.69Å; P32-F68 HydrophobicContact CG-CE1 3.98Å; P32-F68 HydrophobicContact CG-CE2 3.53Å; P32-F68 HydrophobicContact CG-CG 3.98Å; P32-F68 HydrophobicContact CG-CZ 3.69Å; S66-F68 WeakPolarHBondContact O-CD2 3.12Å; S66-F68 PolarHBondContact O-N 3.33Å; S66-F68 PolarHBondContact OG-N 3.1Å; F68-F70 VanDerWaalsContact C-N 3.3Å; F68-F70 WeakPolarHBondContact CB-O 3.49Å; F68-F70 PolarHBondContact O-N 3.49Å; F68-V71 HydrophobicContact CB-CG1 4.4Å; F68-V84 WeakPolarHBondContact O-CG2 3.33Å; F68-L395 HydrophobicContact CD1-CD1 3.84Å; F68-L395 HydrophobicContact CD1-CD2 4.16Å; F68-L395 HydrophobicContact CE1-CD1 4.43Å; F68-L395 HydrophobicContact CE1-CD2 4.12Å
69P97.8Very high95.7Very high2 Ų233.3 Ų33.31%0.01317%0.172CC..SBendtrans-74.9-22.8177.731.7-37.4000112.7V84 D85 L88 V389 L395P69-V84 PolarHBondContact O-N 3.22Å; P69-D85 HydrophobicContact CB-CB 3.96Å; P69-D85 PolarHBondContact O-N 2.83Å; P69-L88 HydrophobicContact CB-CB 4.3Å; P69-L88 HydrophobicContact CB-CD2 3.83Å; P69-L88 HydrophobicContact CG-CD2 4.33Å; P69-V389 HydrophobicContact CB-CG1 4.22Å; P69-V389 HydrophobicContact CG-CG1 3.75Å; P69-L395 VanDerWaalsContact CD-CD1 3.5Å; P69-L395 HydrophobicContact CG-CD1 3.81Å
70F98.5Very high95.6Very high0 Ų032.8 Ų32.80%017%0.17CC..EExtended strand (participates in β ladder)trans-146.5156.8169.376.4-91.4000110.7W26 V31 F68 A81 F82 I83 L88 V389 L395 I397W26-F70 HydrophobicContact CE3-CE2 4.43Å; W26-F70 AromaticContact CH2-CE2 3.97Å; W26-F70 HydrophobicContact CH2-CE2 3.97Å; W26-F70 AromaticContact CZ3-CE2 3.59Å; W26-F70 HydrophobicContact CZ3-CE2 3.59Å; W26-F70 HydrophobicContact CZ3-CZ 4.35Å; V31-F70 HydrophobicContact CG1-CD2 4.21Å; V31-F70 HydrophobicContact CG1-CE2 3.83Å; V31-F70 HydrophobicContact CG2-CE2 4.15Å; V31-F70 HydrophobicContact CG2-CZ 4.28Å; F68-F70 VanDerWaalsContact C-N 3.3Å; F68-F70 WeakPolarHBondContact CB-O 3.49Å; F68-F70 PolarHBondContact O-N 3.49Å; F70-A81 HydrophobicContact CD2-CB 3.74Å; F70-A81 HydrophobicContact CE2-CB 4.12Å; F70-A81 HydrophobicContact CG-CB 4.28Å; F70-F82 CarbonylContact C-O 3.48Å; F70-F82 VanDerWaalsContact CA-O 3.24Å; F70-F82 WeakPolarHBondContact CA-O 3.37Å; F70-F82 WeakPolarHBondContact CB-O 3.42Å; F70-I83 HydrophobicContact CB-CD1 3.66Å; F70-I83 HydrophobicContact CG-CD1 4.45Å; F70-L88 HydrophobicContact CB-CD2 4.1Å; F70-L88 HydrophobicContact CD1-CD2 3.95Å; F70-L88 HydrophobicContact CG-CD2 4.49Å; F70-V389 HydrophobicContact CD1-CG2 3.99Å; F70-V389 HydrophobicContact CE1-CG2 3.72Å; F70-L395 HydrophobicContact CE1-CB 3.94Å; F70-L395 HydrophobicContact CZ-CB 4.43Å; F70-I397 HydrophobicContact CD1-CD1 4.33Å; F70-I397 HydrophobicContact CD1-CG1 4.19Å; F70-I397 HydrophobicContact CE1-CD1 4.41Å; F70-I397 HydrophobicContact CE1-CG1 3.79Å; F70-I397 HydrophobicContact CZ-CG1 4.02Å
71V98.5Very high95.6Very high0 Ų032.4 Ų32.40%017%0.168CC..EExtended strand (participates in β ladder)trans-121.9162.1173.1-690000110.5P32 Y59 Y63 F68 F82 V84P32-V71 HydrophobicContact CB-CG1 4.08Å; P32-V71 WeakPolarHBondContact O-CB 3.49Å; Y59-V71 HydrophobicContact CD1-CG2 4.14Å; Y59-V71 HydrophobicContact CE1-CG2 3.68Å; Y63-V71 HydrophobicContact CD1-CB 4.46Å; Y63-V71 HydrophobicContact CD1-CG1 3.78Å; Y63-V71 HydrophobicContact CD2-CB 4.5Å; Y63-V71 HydrophobicContact CD2-CG2 3.94Å; Y63-V71 HydrophobicContact CE1-CG1 4.49Å; Y63-V71 HydrophobicContact CG-CB 4.23Å; Y63-V71 HydrophobicContact CG-CG1 3.82Å; Y63-V71 HydrophobicContact CG-CG2 3.92Å; F68-V71 HydrophobicContact CB-CG1 4.4Å; V71-F82 HydrophobicContact CG2-CB 4.19Å; V71-F82 HydrophobicContact CG2-CD1 4.1Å; V71-F82 PolarHBondContact N-O 3.1Å; V71-F82 PolarHBondContact O-N 3.32Å; V71-V84 HydrophobicContact CG2-CG1 3.95Å
72G98.2Very high95.7Very high0 Ų029.7 Ų29.70%015%0.154CC..EExtended strand (participates in β ladder)trans-76.3136.9177.400000110.9W26 P32 H33 Y59W26-G72 VanDerWaalsContact CE2-CA 3.42Å; W26-G72 VanDerWaalsContact CG-CA 3.42Å; P32-G72 PolarHBondContact O-N 3.5Å; H33-G72 WeakPolarHBondContact CB-O 3.49Å; Y59-G72 WeakPolarHBondContact CE1-O 3.35Å; Y59-G72 PolarHBondContact OH-O 3.02Å
73F97.9Very high95.7Very high0 Ų024 Ų240%013%0.129CC..EExtended strand (participates in β ladder)trans-134.5155.9173.5-175.2-91.1000109.6W26 N42 M43 F56 Y59 F75 P79 A80 F82 I404W26-F73 PolarHBondContact NE1-O 2.96Å; W26-F73 VanDerWaalsContact NE1-O 3.14Å; N42-F73 HydrophobicContact CB-CD2 3.79Å; N42-F73 HydrophobicContact CB-CE2 3.53Å; N42-F73 HydrophobicContact CB-CG 4.43Å; N42-F73 HydrophobicContact CB-CZ 3.97Å; N42-F73 WeakPolarHBondContact OD1-CA 3.43Å; M43-F73 HydrophobicContact CG-CE1 4.04Å; M43-F73 HydrophobicContact CG-CZ 3.69Å; M43-F73 HydrophobicContact SD-CE1 4.24Å; M43-F73 HydrophobicContact SD-CZ 4.39Å; F56-F73 HydrophobicContact CD1-CZ 4.34Å; F56-F73 HydrophobicContact CE1-CE1 4.22Å; F56-F73 AromaticContact CE1-CZ 3.96Å; F56-F73 HydrophobicContact CE1-CZ 3.96Å; Y59-F73 AromaticContact CD1-CD2 3.77Å; Y59-F73 HydrophobicContact CD1-CD2 3.77Å; Y59-F73 HydrophobicContact CD1-CE2 4.44Å; Y59-F73 AromaticContact CD2-CD2 3.99Å; Y59-F73 HydrophobicContact CD2-CD2 3.99Å; Y59-F73 HydrophobicContact CD2-CE2 4.13Å; Y59-F73 HydrophobicContact CE1-CB 4.21Å; Y59-F73 AromaticContact CE1-CD2 3.76Å; Y59-F73 HydrophobicContact CE1-CD2 3.76Å; Y59-F73 HydrophobicContact CE1-CG 4.5Å; Y59-F73 AromaticContact CE2-CD2 4Å; Y59-F73 HydrophobicContact CE2-CD2 4Å; Y59-F73 HydrophobicContact CE2-CE2 4.45Å; Y59-F73 AromaticContact CG-CD2 3.88Å; Y59-F73 HydrophobicContact CG-CD2 3.88Å; Y59-F73 HydrophobicContact CG-CE2 4.12Å; Y59-F73 AromaticContact CZ-CD2 3.88Å; F73-F75 HydrophobicContact CD1-CB 4.44Å; F73-F75 HydrophobicContact CE1-CB 4.22Å; F73-F75 HydrophobicContact CE1-CD2 4.47Å; F73-P79 CarbonylContact O-C 3.59Å; F73-P79 WeakPolarHBondContact O-CA 3.34Å; F73-A80 PolarHBondContact N-O 3.49Å; F73-A80 PolarHBondContact O-N 3.01Å; F73-A80 VanDerWaalsContact O-O 3.1Å; F73-F82 HydrophobicContact CB-CB 3.73Å; F73-F82 HydrophobicContact CB-CD2 4.4Å; F73-F82 HydrophobicContact CB-CG 4.39Å; F73-F82 HydrophobicContact CD2-CD2 4.23Å; F73-F82 HydrophobicContact CG-CB 4.49Å; F73-F82 HydrophobicContact CG-CD2 4.28Å; F73-I404 HydrophobicContact CD1-CD1 3.67Å; F73-I404 HydrophobicContact CE1-CD1 3.99Å
74Y95.4Very high95.7Very high0 Ų023.2 Ų23.20%013%0.127CC..EExtended strand (participates in β ladder)trans-121.7103.3174.7-69.5-86.6000109.6N22 F23 Y25 W26 H33 P36 N42 L76 K78 P79N22-Y74 WeakPolarHBondContact O-CE1 3.34Å; N22-Y74 PolarHBondContact O-OH 2.97Å; F23-Y74 HydrophobicContact CD1-CE1 4.47Å; F23-Y74 PolarHBondContact O-OH 3.49Å; Y25-Y74 PolarHBondContact N-OH 2.78Å; W26-Y74 AromaticContact CD1-CE2 3.55Å; W26-Y74 AromaticContact CD1-CZ 3.6Å; W26-Y74 PolarHBondContact N-OH 2.85Å; H33-Y74 AromaticContact CD2-CE2 3.9Å; P36-Y74 HydrophobicContact CB-CD1 4.43Å; P36-Y74 HydrophobicContact CB-CD2 3.55Å; P36-Y74 HydrophobicContact CB-CE2 4.1Å; P36-Y74 HydrophobicContact CB-CG 3.72Å; P36-Y74 HydrophobicContact CG-CD2 3.69Å; P36-Y74 HydrophobicContact CG-CE2 3.68Å; P36-Y74 HydrophobicContact CG-CG 4.12Å; N42-Y74 PolarHBondContact N-O 3.06Å; N42-Y74 PolarHBondContact OD1-N 3.31Å; Y74-L76 PolarHBondContact O-N 2.86Å; Y74-L76 VanDerWaalsContact O-N 3.14Å; Y74-K78 WeakPolarHBondContact CA-O 3.39Å; Y74-P79 HydrophobicContact CD1-CB 4.16Å; Y74-P79 HydrophobicContact CE1-CB 3.86Å
75F90.2Very high95.8Very high25 Ų2524 Ų2411%0.1113%0.134CC..EExtended strand (participates in β ladder)trans-7796.6169.1-165.8-73.6000107.6M43 M52 F73 H77 K78 I404M43-F75 HydrophobicContact CE-CD2 4.38Å; M43-F75 HydrophobicContact CE-CE2 3.95Å; M43-F75 HydrophobicContact CE-CZ 4.08Å; M43-F75 HydrophobicContact SD-CB 4.4Å; M43-F75 HydrophobicContact SD-CD1 4.12Å; M43-F75 HydrophobicContact SD-CD2 3.58Å; M43-F75 VanDerWaalsContact SD-CD2 3.58Å; M43-F75 HydrophobicContact SD-CE1 4.25Å; M43-F75 HydrophobicContact SD-CE2 3.76Å; M43-F75 HydrophobicContact SD-CG 3.78Å; M43-F75 HydrophobicContact SD-CZ 4.08Å; M52-F75 HydrophobicContact CE-CE2 3.64Å; M52-F75 HydrophobicContact CE-CZ 4.15Å; F73-F75 HydrophobicContact CD1-CB 4.44Å; F73-F75 HydrophobicContact CE1-CB 4.22Å; F73-F75 HydrophobicContact CE1-CD2 4.47Å; F75-H77 PolarHBondContact O-N 3.11Å; F75-H77 VanDerWaalsContact O-N 3.13Å; F75-K78 PolarHBondContact N-O 3.4Å; F75-K78 WeakPolarHBondContact O-CB 3.29Å; F75-K78 PolarHBondContact O-N 2.83Å; F75-I404 HydrophobicContact CD2-CD1 4.23Å
76L88.7Confident95.9Very high0 Ų018.1 Ų18.10%011%0.111CC..THydrogen-bonded Turntrans53.7-115.7-167.5-54.7171.8000110.4G41 Y74 M225 F228G41-L76 VanDerWaalsContact CA-O 3.22Å; G41-L76 WeakPolarHBondContact CA-O 3.36Å; G41-L76 PolarHBondContact N-O 3.41Å; Y74-L76 PolarHBondContact O-N 2.86Å; Y74-L76 VanDerWaalsContact O-N 3.14Å; L76-M225 HydrophobicContact CD1-CB 4.11Å; L76-M225 HydrophobicContact CD1-CG 3.84Å; L76-M225 HydrophobicContact CD2-CG 4.2Å; L76-M225 HydrophobicContact CD2-SD 4.27Å; L76-F228 HydrophobicContact CD1-CB 4.04Å
77H88.5Confident95.9Very high35 Ų3520.2 Ų20.216%0.16212%0.116CC..THydrogen-bonded Turntrans-91.2-0.1177.1-58.8115.2000113.8N22 F23 P38 F75N22-H77 PolarHBondContact ND2-O 2.87Å; F23-H77 HydrophobicContact CE1-CB 4.41Å; F23-H77 AromaticContact CE1-CD2 3.72Å; F23-H77 AromaticContact CZ-CD2 3.55Å; P38-H77 PolarHBondContact O-NE2 3.17Å; F75-H77 PolarHBondContact O-N 3.11Å; F75-H77 VanDerWaalsContact O-N 3.13Å
78K90.2Very high96.1Very high35 Ų3517.3 Ų17.315%0.1529%0.085CC..EExtended strand (participates in β ladder)trans-100118.9-174.3-165.8-176.8-173.5-172.50110.9Y74 F75 Q402Y74-K78 WeakPolarHBondContact CA-O 3.39Å; F75-K78 PolarHBondContact N-O 3.4Å; F75-K78 WeakPolarHBondContact O-CB 3.29Å; F75-K78 PolarHBondContact O-N 2.83Å; K78-Q402 HydrophobicContact CD-CB 4.41Å
79P95.1Very high96.2Very high19 Ų1914 Ų1412%0.1237%0.071CC..EExtended strand (participates in β ladder)trans-65.5137.6172.326.4-32.3000110.6N22 Y25 W26 F73 Y74N22-P79 WeakPolarHBondContact OD1-CD 3.25Å; Y25-P79 HydrophobicContact CD1-CB 3.74Å; Y25-P79 HydrophobicContact CD1-CG 4.28Å; Y25-P79 HydrophobicContact CD2-CG 4.36Å; Y25-P79 HydrophobicContact CE1-CB 4.29Å; Y25-P79 HydrophobicContact CG-CB 3.98Å; Y25-P79 HydrophobicContact CG-CG 4.11Å; W26-P79 HydrophobicContact CZ2-CB 4.43Å; F73-P79 CarbonylContact O-C 3.59Å; F73-P79 WeakPolarHBondContact O-CA 3.34Å; Y74-P79 HydrophobicContact CD1-CB 4.16Å; Y74-P79 HydrophobicContact CE1-CB 3.86Å
80A97.3Very high96.2Very high0 Ų016.7 Ų16.70%08%0.082CC..EExtended strand (participates in β ladder)trans-138.6138.7-179.800000111W26 F73 F82 Q402 I404W26-A80 WeakPolarHBondContact CZ2-O 3.35Å; F73-A80 PolarHBondContact N-O 3.49Å; F73-A80 PolarHBondContact O-N 3.01Å; F73-A80 VanDerWaalsContact O-O 3.1Å; A80-F82 PolarHBondContact O-N 3.32Å; A80-Q402 CarbonylContact C-O 3.48Å; A80-Q402 WeakPolarHBondContact CA-O 3.16Å; A80-Q402 HydrophobicContact CB-CB 3.84Å; A80-Q402 HydrophobicContact CB-CG 4.21Å; A80-I404 HydrophobicContact CB-CD1 3.68Å; A80-I404 HydrophobicContact CB-CG1 4.02Å
81A98.5Very high96.2Very high0 Ų017.4 Ų17.40%09%0.086CC..EExtended strand (participates in β ladder)trans-77.5116.4169.300000108W26 F70 I83 I397 T401 Q402 V403 I404W26-A81 HydrophobicContact CH2-CB 3.96Å; W26-A81 HydrophobicContact CZ2-CB 4.4Å; F70-A81 HydrophobicContact CD2-CB 3.74Å; F70-A81 HydrophobicContact CE2-CB 4.12Å; F70-A81 HydrophobicContact CG-CB 4.28Å; A81-I83 HydrophobicContact CB-CD1 4.38Å; A81-I397 HydrophobicContact CB-CD1 4.21Å; A81-I397 HydrophobicContact CB-CG1 4.24Å; A81-I397 HydrophobicContact CB-CG2 4.28Å; A81-T401 HydrophobicContact CB-CG2 4.32Å; A81-Q402 PolarHBondContact N-O 2.76Å; A81-V403 HydrophobicContact CB-CG2 4.37Å; A81-V403 CarbonylContact O-C 3.56Å; A81-V403 WeakPolarHBondContact O-CA 3.49Å; A81-I404 PolarHBondContact O-N 3Å
82F98.6Very high96.2Very high0 Ų017.4 Ų17.40%09%0.086CC..EExtended strand (participates in β ladder)trans-97.8109.8179.5-172.5-87.1000109.1F56 Y59 Y60 F70 V71 F73 A80 V84 I404 P406F56-F82 HydrophobicContact CB-CE2 4.11Å; F56-F82 HydrophobicContact CB-CZ 4.1Å; F56-F82 HydrophobicContact CD1-CD2 4.38Å; F56-F82 AromaticContact CD1-CE2 3.5Å; F56-F82 HydrophobicContact CD1-CE2 3.5Å; F56-F82 HydrophobicContact CD1-CZ 4.31Å; F56-F82 HydrophobicContact CE1-CE2 4.24Å; F56-F82 HydrophobicContact CG-CE2 4.1Å; Y59-F82 AromaticContact CD1-CD1 3.83Å; Y59-F82 HydrophobicContact CD1-CD1 3.83Å; Y59-F82 HydrophobicContact CD1-CD2 4.45Å; Y59-F82 HydrophobicContact CD1-CE1 4.07Å; Y59-F82 HydrophobicContact CD1-CG 4.02Å; Y59-F82 HydrophobicContact CD1-CZ 4.48Å; Y59-F82 HydrophobicContact CE1-CG 4.48Å; Y60-F82 HydrophobicContact CD2-CE1 4.44Å; F70-F82 CarbonylContact C-O 3.48Å; F70-F82 VanDerWaalsContact CA-O 3.24Å; F70-F82 WeakPolarHBondContact CA-O 3.37Å; F70-F82 WeakPolarHBondContact CB-O 3.42Å; V71-F82 HydrophobicContact CG2-CB 4.19Å; V71-F82 HydrophobicContact CG2-CD1 4.1Å; V71-F82 PolarHBondContact N-O 3.1Å; V71-F82 PolarHBondContact O-N 3.32Å; F73-F82 HydrophobicContact CB-CB 3.73Å; F73-F82 HydrophobicContact CB-CD2 4.4Å; F73-F82 HydrophobicContact CB-CG 4.39Å; F73-F82 HydrophobicContact CD2-CD2 4.23Å; F73-F82 HydrophobicContact CG-CB 4.49Å; F73-F82 HydrophobicContact CG-CD2 4.28Å; A80-F82 PolarHBondContact O-N 3.32Å; F82-V84 HydrophobicContact CD1-CG1 3.9Å; F82-V84 HydrophobicContact CE1-CG1 4.18Å; F82-V84 PolarHBondContact O-N 3.16Å; F82-I404 HydrophobicContact CD2-CB 3.99Å; F82-I404 HydrophobicContact CD2-CG2 3.68Å; F82-I404 HydrophobicContact CE2-CG2 3.81Å; F82-P406 HydrophobicContact CE1-CB 4.18Å; F82-P406 HydrophobicContact CE1-CG 3.71Å; F82-P406 HydrophobicContact CE2-CB 3.84Å; F82-P406 HydrophobicContact CE2-CG 4.14Å; F82-P406 HydrophobicContact CZ-CB 3.41Å; F82-P406 VanDerWaalsContact CZ-CB 3.41Å; F82-P406 HydrophobicContact CZ-CG 3.47Å; F82-P406 VanDerWaalsContact CZ-CG 3.47Å
83I98.7Very high96.2Very high0 Ų017.4 Ų17.40%09%0.086CC..EExtended strand (participates in β ladder)trans-79.8119.2-170-50.3-51.5000109.3F70 A81 D85 L88 A89 I92 I397 V403 I404 I405 P406 Y410F70-I83 HydrophobicContact CB-CD1 3.66Å; F70-I83 HydrophobicContact CG-CD1 4.45Å; A81-I83 HydrophobicContact CB-CD1 4.38Å; I83-D85 VanDerWaalsContact CG2-O 3.26Å; I83-D85 WeakPolarHBondContact CG2-O 3.41Å; I83-L88 HydrophobicContact CD1-CD2 3.86Å; I83-L88 HydrophobicContact CD1-CG 4.28Å; I83-L88 HydrophobicContact CG2-CB 3.99Å; I83-L88 HydrophobicContact CG2-CD2 4.19Å; I83-L88 HydrophobicContact CG2-CG 4Å; I83-A89 HydrophobicContact CG2-CB 4.14Å; I83-I92 HydrophobicContact CD1-CD1 3.67Å; I83-I92 HydrophobicContact CG1-CD1 3.95Å; I83-I397 HydrophobicContact CD1-CD1 4.3Å; I83-V403 HydrophobicContact CD1-CG1 3.74Å; I83-V403 HydrophobicContact CG1-CG1 3.5Å; I83-I404 PolarHBondContact N-O 3.03Å; I83-I405 HydrophobicContact CB-CG1 4.18Å; I83-I405 HydrophobicContact CG1-CG1 3.88Å; I83-P406 WeakPolarHBondContact O-CD 3.49Å; I83-Y410 WeakPolarHBondContact CG2-OH 3.24Å; I83-Y410 PolarHBondContact O-OH 3.04Å
84V98Very high96.2Very high8 Ų820.6 Ų20.65%0.04810%0.102CC..  trans-105.9-16.3178.7-61.60000112.4Y60 F68 P69 V71 F82Y60-V84 HydrophobicContact CD2-CB 4.26Å; Y60-V84 HydrophobicContact CD2-CG1 4.15Å; Y60-V84 HydrophobicContact CE2-CB 4.19Å; Y60-V84 WeakPolarHBondContact CE2-O 3.04Å; F68-V84 WeakPolarHBondContact O-CG2 3.33Å; P69-V84 PolarHBondContact O-N 3.22Å; V71-V84 HydrophobicContact CG2-CG1 3.95Å; F82-V84 HydrophobicContact CD1-CG1 3.9Å; F82-V84 HydrophobicContact CE1-CG1 4.18Å; F82-V84 PolarHBondContact O-N 3.16Å
85D97.7Very high96.4Very high55 Ų5527.7 Ų27.729%0.29413%0.133SC..  trans-100.1123174.7172.417.3000111.3P69 I83 Q87 L88 A89P69-D85 HydrophobicContact CB-CB 3.96Å; P69-D85 PolarHBondContact O-N 2.83Å; I83-D85 VanDerWaalsContact CG2-O 3.26Å; I83-D85 WeakPolarHBondContact CG2-O 3.41Å; D85-Q87 PolarHBondContact O-N 3.11Å; D85-Q87 WeakPolarHBondContact OD1-CB 3.4Å; D85-Q87 PolarHBondContact OD1-N 2.99Å; D85-L88 HydrophobicContact CB-CB 4.32Å; D85-L88 PolarHBondContact O-N 3.27Å; D85-A89 PolarHBondContact O-N 3.5Å
86T97.5Very high96.7Very high26 Ų2628.4 Ų28.416%0.1614%0.138CC..Hα-helixtrans-63.2-29.8178.356.40000112A89 K90 Y410 L416 V439 E440T86-A89 CarbonylContact O-C 3.56Å; T86-A89 WeakPolarHBondContact O-CA 3.3Å; T86-A89 WeakPolarHBondContact O-CB 3.46Å; T86-A89 PolarHBondContact O-N 2.73Å; T86-A89 VanDerWaalsContact O-N 3.15Å; T86-K90 PolarHBondContact O-N 2.63Å; T86-Y410 HydrophobicContact CG2-CD1 4.38Å; T86-Y410 HydrophobicContact CG2-CD2 3.96Å; T86-Y410 HydrophobicContact CG2-CE1 4.43Å; T86-Y410 HydrophobicContact CG2-CE2 3.99Å; T86-Y410 HydrophobicContact CG2-CG 4.18Å; T86-L416 HydrophobicContact CG2-CD1 4.12Å; T86-V439 WeakPolarHBondContact O-CG2 3.48Å; T86-E440 HydrophobicContact CG2-CG 4.34Å
87Q97Very high97.2Very high88 Ų8829.9 Ų29.941%0.41114%0.144SC..Hα-helixtrans-68.4-37.4176.6-174.655.259.200111.6D85 K90 N91D85-Q87 PolarHBondContact O-N 3.11Å; D85-Q87 WeakPolarHBondContact OD1-CB 3.4Å; D85-Q87 PolarHBondContact OD1-N 2.99Å; Q87-K90 WeakPolarHBondContact O-CB 3.38Å; Q87-K90 PolarHBondContact O-N 3.19Å; Q87-N91 PolarHBondContact O-N 3.41Å; Q87-N91 VanDerWaalsContact O-N 3.09Å; Q87-N91 PolarHBondContact O-ND2 3.45Å
88L98.5Very high97.6Very high2 Ų232.9 Ų32.91%0.0117%0.169CC..Hα-helixtrans-66.9-38.2169.8179.355.7000111.3P69 F70 I83 D85 K90 N91 I92 Y387 V389P69-L88 HydrophobicContact CB-CB 4.3Å; P69-L88 HydrophobicContact CB-CD2 3.83Å; P69-L88 HydrophobicContact CG-CD2 4.33Å; F70-L88 HydrophobicContact CB-CD2 4.1Å; F70-L88 HydrophobicContact CD1-CD2 3.95Å; F70-L88 HydrophobicContact CG-CD2 4.49Å; I83-L88 HydrophobicContact CD1-CD2 3.86Å; I83-L88 HydrophobicContact CD1-CG 4.28Å; I83-L88 HydrophobicContact CG2-CB 3.99Å; I83-L88 HydrophobicContact CG2-CD2 4.19Å; I83-L88 HydrophobicContact CG2-CG 4Å; D85-L88 HydrophobicContact CB-CB 4.32Å; D85-L88 PolarHBondContact O-N 3.27Å; L88-K90 VanDerWaalsContact C-N 3.33Å; L88-K90 PolarHBondContact O-N 2.87Å; L88-N91 PolarHBondContact O-N 3.35Å; L88-I92 HydrophobicContact CD1-CD1 3.85Å; L88-I92 HydrophobicContact CD1-CG1 4.06Å; L88-I92 HydrophobicContact CD2-CD1 4.47Å; L88-I92 HydrophobicContact CG-CD1 3.82Å; L88-I92 HydrophobicContact CG-CG1 4.44Å; L88-I92 WeakPolarHBondContact O-CG1 3.28Å; L88-I92 PolarHBondContact O-N 3.49Å; L88-Y387 HydrophobicContact CD1-CE1 3.89Å; L88-V389 HydrophobicContact CD1-CG1 4.03Å; L88-V389 HydrophobicContact CD1-CG2 4.35Å; L88-V389 HydrophobicContact CD2-CG1 4.15Å; L88-V389 HydrophobicContact CD2-CG2 4.19Å
89A98.5Very high98Very high0 Ų032 Ų320%017%0.167CC..Hα-helixtrans-59.8-42.6173.300000111.8I83 D85 T86 N91 I92 L93 I405 Y410I83-A89 HydrophobicContact CG2-CB 4.14Å; D85-A89 PolarHBondContact O-N 3.5Å; T86-A89 CarbonylContact O-C 3.56Å; T86-A89 WeakPolarHBondContact O-CA 3.3Å; T86-A89 WeakPolarHBondContact O-CB 3.46Å; T86-A89 PolarHBondContact O-N 2.73Å; T86-A89 VanDerWaalsContact O-N 3.15Å; A89-N91 VanDerWaalsContact C-N 3.34Å; A89-N91 PolarHBondContact O-N 2.87Å; A89-I92 PolarHBondContact O-N 3.29Å; A89-L93 VanDerWaalsContact O-CB 3.28Å; A89-L93 WeakPolarHBondContact O-CB 3.14Å; A89-L93 WeakPolarHBondContact O-CG 3.13Å; A89-L93 PolarHBondContact O-N 3.31Å; A89-I405 HydrophobicContact CB-CD1 4.24Å; A89-I405 HydrophobicContact CB-CG1 4.37Å; A89-I405 HydrophobicContact CB-CG2 3.9Å; A89-Y410 HydrophobicContact CB-CE2 3.97Å
90K98.4Very high98.2Very high58 Ų5831.1 Ų31.125%0.25216%0.161SC..Hα-helixtrans-57.8-44173.5-167.4172177.1175.50112.4T86 Q87 L88 I94 K95 E437 V439T86-K90 PolarHBondContact O-N 2.63Å; Q87-K90 WeakPolarHBondContact O-CB 3.38Å; Q87-K90 PolarHBondContact O-N 3.19Å; L88-K90 VanDerWaalsContact C-N 3.33Å; L88-K90 PolarHBondContact O-N 2.87Å; K90-I94 HydrophobicContact CG-CD1 4.22Å; K90-I94 WeakPolarHBondContact O-CB 3.43Å; K90-I94 PolarHBondContact O-N 2.63Å; K90-K95 PolarHBondContact O-N 2.71Å; K90-E437 VanDerWaalsContact NZ-CD 3.28Å; K90-E437 IonicContact NZ-OE1 3.58Å; K90-E437 PolarHBondContact NZ-OE1 3.16Å; K90-E437 IonicContact NZ-OE2 3.31Å; K90-E437 PolarHBondContact NZ-OE2 2.91Å; K90-V439 HydrophobicContact CB-CG1 4.04Å; K90-V439 HydrophobicContact CB-CG2 3.89Å; K90-V439 HydrophobicContact CG-CG1 4.29Å; K90-V439 HydrophobicContact CG-CG2 4.44Å
91N98.6Very high98.2Very high14 Ų1431.8 Ų31.88%0.07517%0.166CC..Iπ-helixtrans-61.7-50176.7-68.4-18.8000111Q87 L88 A89 L93 K95 D96Q87-N91 PolarHBondContact O-N 3.41Å; Q87-N91 VanDerWaalsContact O-N 3.09Å; Q87-N91 PolarHBondContact O-ND2 3.45Å; L88-N91 PolarHBondContact O-N 3.35Å; A89-N91 VanDerWaalsContact C-N 3.34Å; A89-N91 PolarHBondContact O-N 2.87Å; N91-L93 PolarHBondContact O-N 3.01Å; N91-K95 PolarHBondContact O-N 3.08Å; N91-K95 WeakPolarHBondContact OD1-CD 3.4Å; N91-D96 WeakPolarHBondContact CB-OD2 3.35Å; N91-D96 WeakPolarHBondContact O-CA 3.3Å; N91-D96 PolarHBondContact O-N 3.08Å
92I98.7Very high98.1Very high0 Ų032.9 Ų32.90%017%0.172CC..Iπ-helixtrans-65.5-40.3-177.3-70172.2000112.6I83 L88 A89 F100 R381 I397 V403 I405I83-I92 HydrophobicContact CD1-CD1 3.67Å; I83-I92 HydrophobicContact CG1-CD1 3.95Å; L88-I92 HydrophobicContact CD1-CD1 3.85Å; L88-I92 HydrophobicContact CD1-CG1 4.06Å; L88-I92 HydrophobicContact CD2-CD1 4.47Å; L88-I92 HydrophobicContact CG-CD1 3.82Å; L88-I92 HydrophobicContact CG-CG1 4.44Å; L88-I92 WeakPolarHBondContact O-CG1 3.28Å; L88-I92 PolarHBondContact O-N 3.49Å; A89-I92 PolarHBondContact O-N 3.29Å; I92-F100 HydrophobicContact CB-CD2 4.18Å; I92-F100 HydrophobicContact CB-CE2 4.43Å; I92-F100 HydrophobicContact CB-CG 4.38Å; I92-F100 HydrophobicContact CD1-CZ 4.4Å; I92-F100 HydrophobicContact CG1-CD2 4.04Å; I92-F100 HydrophobicContact CG1-CE1 4.29Å; I92-F100 HydrophobicContact CG1-CE2 3.78Å; I92-F100 HydrophobicContact CG1-CG 4.42Å; I92-F100 HydrophobicContact CG1-CZ 3.91Å; I92-F100 HydrophobicContact CG2-CB 3.98Å; I92-F100 HydrophobicContact CG2-CD1 4.02Å; I92-F100 HydrophobicContact CG2-CD2 4.07Å; I92-F100 HydrophobicContact CG2-CG 3.75Å; I92-R381 HydrophobicContact CG2-CB 4.09Å; I92-R381 HydrophobicContact CG2-CG 3.89Å; I92-I397 HydrophobicContact CD1-CD1 4.13Å; I92-V403 HydrophobicContact CD1-CG1 3.91Å; I92-V403 HydrophobicContact CG2-CG1 4.29Å; I92-I405 HydrophobicContact CG2-CD1 4.05Å
93L98.6Very high98Very high0 Ų034 Ų340%018%0.176CC..Iπ-helixtrans-79.6-35.4-175.3-68.7175.7000112.8A89 N91 L379 R381 I405 V439 L442 D446 G447A89-L93 VanDerWaalsContact O-CB 3.28Å; A89-L93 WeakPolarHBondContact O-CB 3.14Å; A89-L93 WeakPolarHBondContact O-CG 3.13Å; A89-L93 PolarHBondContact O-N 3.31Å; N91-L93 PolarHBondContact O-N 3.01Å; L93-L379 HydrophobicContact CD1-CD1 3.98Å; L93-L379 HydrophobicContact CD2-CD1 4.02Å; L93-R381 HydrophobicContact CD2-CG 4.44Å; L93-I405 HydrophobicContact CD1-CD1 3.9Å; L93-I405 HydrophobicContact CD2-CD1 3.58Å; L93-I405 HydrophobicContact CG-CD1 3.55Å; L93-V439 HydrophobicContact CD1-CG1 4.09Å; L93-L442 HydrophobicContact CD1-CD1 4.24Å; L93-L442 HydrophobicContact CD1-CD2 3.85Å; L93-D446 HydrophobicContact CB-CB 4.46Å; L93-D446 HydrophobicContact CD1-CB 4.15Å; L93-G447 WeakPolarHBondContact O-CA 3.33Å
94I98.3Very high97.7Very high68 Ų6834.3 Ų34.335%0.34918%0.179SC..Iπ-helixtrans-123.1-67.4-166.4-49177000111K90 F97 V439 D446K90-I94 HydrophobicContact CG-CD1 4.22Å; K90-I94 WeakPolarHBondContact O-CB 3.43Å; K90-I94 PolarHBondContact O-N 2.63Å; I94-F97 WeakPolarHBondContact O-CB 3.25Å; I94-V439 HydrophobicContact CD1-CG1 4.2Å; I94-D446 WeakPolarHBondContact CD1-OD2 3.35Å
95K98.1Very high97.5Very high148 Ų14835.7 Ų35.764%0.64319%0.185SC*.Iπ-helixtrans-64.4-49.8-167-171.6-176176.4-178.10112.5K90 N91K90-K95 PolarHBondContact O-N 2.71Å; N91-K95 PolarHBondContact O-N 3.08Å; N91-K95 WeakPolarHBondContact OD1-CD 3.4Å
96D98.2Very high97.3Very high41 Ų4133.2 Ų33.222%0.21917%0.172CC..THydrogen-bonded Turntrans-108.824.6-175.2-55.6-61.8000110.9N91 S98 N99 F100 Y387N91-D96 WeakPolarHBondContact CB-OD2 3.35Å; N91-D96 WeakPolarHBondContact O-CA 3.3Å; N91-D96 PolarHBondContact O-N 3.08Å; D96-S98 PolarHBondContact O-N 3.44Å; D96-N99 PolarHBondContact O-N 3.08Å; D96-F100 WeakPolarHBondContact O-CD2 3.37Å; D96-Y387 HydrophobicContact CB-CE2 3.86Å; D96-Y387 PolarHBondContact OD2-OH 2.91Å; D96-Y387 VanDerWaalsContact OD2-OH 3.09Å
97F98.1Very high97.1Very high30 Ų3034.3 Ų34.313%0.13218%0.175CC..G310 helixtrans-49-36.9-178.7167.8-97.9000113.2I94 N99 F100 A101 W126 P448 R449I94-F97 WeakPolarHBondContact O-CB 3.25Å; F97-N99 PolarHBondContact O-N 3.27Å; F97-N99 VanDerWaalsContact O-N 3.14Å; F97-F100 CarbonylContact O-C 3.57Å; F97-F100 WeakPolarHBondContact O-CA 3.4Å; F97-F100 PolarHBondContact O-N 3.15Å; F97-A101 HydrophobicContact CE1-CB 3.93Å; F97-A101 HydrophobicContact CE2-CB 4.22Å; F97-A101 HydrophobicContact CZ-CB 3.66Å; F97-A101 PolarHBondContact O-N 3.5Å; F97-W126 HydrophobicContact CE1-CH2 4.21Å; F97-W126 HydrophobicContact CE1-CZ3 4.18Å; F97-W126 HydrophobicContact CE2-CH2 4.37Å; F97-W126 AromaticContact CZ-CH2 3.49Å; F97-W126 HydrophobicContact CZ-CH2 3.49Å; F97-W126 VanDerWaalsContact CZ-CH2 3.49Å; F97-W126 HydrophobicContact CZ-CZ2 4.48Å; F97-W126 AromaticContact CZ-CZ3 3.64Å; F97-W126 HydrophobicContact CZ-CZ3 3.64Å; F97-P448 HydrophobicContact CB-CG 4.46Å; F97-P448 HydrophobicContact CD1-CB 4.03Å; F97-P448 HydrophobicContact CD1-CG 3.58Å; F97-P448 HydrophobicContact CD2-CB 4.26Å; F97-P448 HydrophobicContact CD2-CG 4.03Å; F97-P448 HydrophobicContact CE1-CB 3.7Å; F97-P448 HydrophobicContact CE1-CG 3.8Å; F97-P448 HydrophobicContact CE2-CB 3.95Å; F97-P448 HydrophobicContact CE2-CG 4.23Å; F97-P448 HydrophobicContact CG-CB 4.31Å; F97-P448 HydrophobicContact CG-CG 3.71Å; F97-P448 HydrophobicContact CZ-CB 3.68Å; F97-P448 HydrophobicContact CZ-CG 4.14Å; F97-R449 HydrophobicContact CE2-CB 4.2Å; F97-R449 HydrophobicContact CE2-CG 3.63Å; F97-R449 HydrophobicContact CZ-CG 4.09Å
98S97.6Very high97Very high98 Ų9830.5 Ų30.569%0.68516%0.158SC*.G310 helixtrans-57.6-28.4-179.958.60000112.9D96 L384D96-S98 PolarHBondContact O-N 3.44Å; S98-L384 WeakPolarHBondContact O-CD1 3.36Å
99N98.4Very high96.6Very high18 Ų1831.7 Ų31.710%0.09617%0.17CC..G310 helixtrans-88.6-8.9175.7-162.843.2000113.6D96 F97 A383 L384 N385D96-N99 PolarHBondContact O-N 3.08Å; F97-N99 PolarHBondContact O-N 3.27Å; F97-N99 VanDerWaalsContact O-N 3.14Å; N99-A383 CarbonylContact O-C 3.59Å; N99-L384 WeakPolarHBondContact O-CB 3.39Å; N99-L384 WeakPolarHBondContact O-CG 3.35Å; N99-L384 PolarHBondContact O-N 3.04Å; N99-N385 PolarHBondContact ND2-O 3.05Å; N99-N385 WeakPolarHBondContact OD1-CA 3.36Å; N99-N385 VanDerWaalsContact OD1-CB 3.28Å; N99-N385 WeakPolarHBondContact OD1-CB 3.42Å; N99-N385 PolarHBondContact OD1-N 3.27Å; N99-N385 PolarHBondContact OD1-ND2 2.91Å
100F98.4Very high96.2Very high0 Ų039.7 Ų39.70%020%0.2CC..SBendtrans-124.918.3-176.1-66.6-76000112.5I92 D96 F97 D102 R381 K382 A383 Y387 I397 V403I92-F100 HydrophobicContact CB-CD2 4.18Å; I92-F100 HydrophobicContact CB-CE2 4.43Å; I92-F100 HydrophobicContact CB-CG 4.38Å; I92-F100 HydrophobicContact CD1-CZ 4.4Å; I92-F100 HydrophobicContact CG1-CD2 4.04Å; I92-F100 HydrophobicContact CG1-CE1 4.29Å; I92-F100 HydrophobicContact CG1-CE2 3.78Å; I92-F100 HydrophobicContact CG1-CG 4.42Å; I92-F100 HydrophobicContact CG1-CZ 3.91Å; I92-F100 HydrophobicContact CG2-CB 3.98Å; I92-F100 HydrophobicContact CG2-CD1 4.02Å; I92-F100 HydrophobicContact CG2-CD2 4.07Å; I92-F100 HydrophobicContact CG2-CG 3.75Å; D96-F100 WeakPolarHBondContact O-CD2 3.37Å; F97-F100 CarbonylContact O-C 3.57Å; F97-F100 WeakPolarHBondContact O-CA 3.4Å; F97-F100 PolarHBondContact O-N 3.15Å; F100-D102 PolarHBondContact O-N 3.29Å; F100-R381 HydrophobicContact CB-CB 4.11Å; F100-R381 HydrophobicContact CB-CG 4.45Å; F100-R381 HydrophobicContact CD1-CB 4.43Å; F100-R381 WeakPolarHBondContact O-CD 3.23Å; F100-K382 WeakPolarHBondContact CA-O 3.14Å; F100-A383 HydrophobicContact CD1-CB 4.34Å; F100-A383 HydrophobicContact CE1-CB 3.83Å; F100-Y387 HydrophobicContact CE2-CD1 4.04Å; F100-Y387 AromaticContact CE2-CD2 3.71Å; F100-Y387 HydrophobicContact CE2-CD2 3.71Å; F100-Y387 HydrophobicContact CE2-CE1 4.23Å; F100-Y387 AromaticContact CE2-CE2 3.92Å; F100-Y387 HydrophobicContact CE2-CE2 3.92Å; F100-Y387 AromaticContact CE2-CG 3.77Å; F100-Y387 HydrophobicContact CE2-CG 3.77Å; F100-Y387 AromaticContact CZ-CD1 3.67Å; F100-Y387 HydrophobicContact CZ-CD1 3.67Å; F100-Y387 AromaticContact CZ-CD2 3.97Å; F100-Y387 HydrophobicContact CZ-CD2 3.97Å; F100-Y387 HydrophobicContact CZ-CE1 4.21Å; F100-Y387 HydrophobicContact CZ-CE2 4.48Å; F100-Y387 AromaticContact CZ-CG 3.52Å; F100-Y387 HydrophobicContact CZ-CG 3.52Å; F100-I397 HydrophobicContact CE1-CG2 4.46Å; F100-I397 HydrophobicContact CZ-CD1 4.5Å; F100-V403 HydrophobicContact CD1-CG2 4.13Å; F100-V403 HydrophobicContact CE1-CG2 3.89Å
101A97.4Very high95.9Very high14 Ų1438.4 Ų38.412%0.11620%0.196CC..  trans-64.6-17.6-170.100000114.1F97 L384 R449F97-A101 HydrophobicContact CE1-CB 3.93Å; F97-A101 HydrophobicContact CE2-CB 4.22Å; F97-A101 HydrophobicContact CZ-CB 3.66Å; F97-A101 PolarHBondContact O-N 3.5Å; A101-L384 HydrophobicContact CB-CD1 4.29Å; A101-R449 PolarHBondContact O-NE 3.44Å; A101-R449 PolarHBondContact O-NH2 3.42Å
102D97.7Very high95.8Very high22 Ų2237.7 Ų37.712%0.11819%0.192CC..BIsolated β-bridgetrans-95.7154.3-178.8-762000112.7F100 D122 G123 R381 K382 L384 R449F100-D102 PolarHBondContact O-N 3.29Å; D102-D122 VanDerWaalsContact CA-OD1 3.28Å; D102-D122 WeakPolarHBondContact CA-OD1 3.34Å; D102-D122 HydrophobicContact CB-CB 4.21Å; D102-D122 WeakPolarHBondContact CB-OD1 3.31Å; D102-G123 PolarHBondContact OD1-N 3.38Å; D102-R381 CarbonylContact O-C 3.4Å; D102-R381 VanDerWaalsContact O-C 3.29Å; D102-R381 VanDerWaalsContact O-CA 3.28Å; D102-R381 WeakPolarHBondContact O-CA 3.27Å; D102-K382 HydrophobicContact CB-CB 4.2Å; D102-K382 PolarHBondContact O-N 2.97Å; D102-L384 HydrophobicContact CB-CD2 3.91Å; D102-L384 WeakPolarHBondContact OD2-CD2 3.16Å; D102-R449 IonicContact OD1-NH2 3.42Å
103R95.3Very high95.6Very high25 Ų2538.5 Ų38.59%0.09420%0.197CC..  trans-102.8-23.9170-63.8-174.4176169.3-7.7112.3Q105 F119 D122 E380 Q402 R449R103-Q105 VanDerWaalsContact C-N 3.32Å; R103-Q105 HydrophobicContact CB-CG 4.06Å; R103-F119 WeakPolarHBondContact CD-O 3.18Å; R103-F119 PolarHBondContact NH1-O 2.9Å; R103-D122 PolarHBondContact N-OD1 3.09Å; R103-E380 WeakPolarHBondContact CG-O 3.39Å; R103-Q402 PolarHBondContact O-NE2 3.14Å; R103-Q402 PolarHBondContact O-OE1 3.36Å; R103-R449 PolarHBondContact NH2-O 3.49Å
104G93Very high95.5Very high6 Ų638.5 Ų38.56%0.06220%0.197CC..  trans71.227.2-179.100000113.9D122 P231G104-D122 VanDerWaalsContact CA-OD2 3.25Å; G104-D122 WeakPolarHBondContact CA-OD2 3.3Å; G104-D122 PolarHBondContact N-OD2 3.42Å; G104-P231 WeakPolarHBondContact O-CG 3.46Å
105Q92.5Very high95.3Very high37 Ų3735.2 Ų35.217%0.17318%0.181CC..  trans-78.2159.5-179-78.8-62.1-36.500112.3R103 H107 N120 E380R103-Q105 VanDerWaalsContact C-N 3.32Å; R103-Q105 HydrophobicContact CB-CG 4.06Å; Q105-H107 PolarHBondContact O-N 2.65Å; Q105-N120 HydrophobicContact CB-CB 4.3Å; Q105-E380 PolarHBondContact NE2-OE2 3.39Å
106F94Very high95.1Very high2 Ų228.7 Ų28.71%0.00915%0.152CC..  trans-69.7129.6174.6175.9-93.8000110.5N108 T115 N120 V227 P231 A234 M239 M241F106-N108 HydrophobicContact CE1-CB 4.29Å; F106-N108 HydrophobicContact CE2-CB 4.49Å; F106-N108 HydrophobicContact CZ-CB 3.79Å; F106-T115 HydrophobicContact CD1-CG2 4.26Å; F106-T115 HydrophobicContact CE1-CG2 4.12Å; F106-N120 PolarHBondContact O-ND2 2.79Å; F106-V227 HydrophobicContact CB-CG1 4Å; F106-V227 HydrophobicContact CD1-CG1 4.27Å; F106-V227 HydrophobicContact CD2-CG1 3.63Å; F106-V227 HydrophobicContact CE2-CG1 4.16Å; F106-V227 HydrophobicContact CG-CG1 3.69Å; F106-P231 HydrophobicContact CB-CB 3.84Å; F106-P231 HydrophobicContact CD2-CB 4.33Å; F106-A234 HydrophobicContact CD2-CB 4.02Å; F106-A234 HydrophobicContact CE2-CB 3.82Å; F106-M239 WeakPolarHBondContact CZ-O 3.03Å; F106-M241 HydrophobicContact CB-CE 4.39Å; F106-M241 HydrophobicContact CB-SD 4.26Å; F106-M241 HydrophobicContact CD1-CB 3.76Å; F106-M241 HydrophobicContact CD1-CE 3.8Å; F106-M241 HydrophobicContact CD1-CG 4.48Å; F106-M241 HydrophobicContact CD1-SD 3.92Å; F106-M241 HydrophobicContact CE1-CB 3.66Å; F106-M241 HydrophobicContact CG-SD 4.37Å
107H94.2Very high95Very high49 Ų4927.5 Ų27.523%0.22715%0.145CC..  trans-148.8143.1161.765.290.7000110.6Q105 T115 N120 S235Q105-H107 PolarHBondContact O-N 2.65Å; H107-T115 WeakPolarHBondContact CA-OG1 3.36Å; H107-T115 WeakPolarHBondContact CB-O 3.17Å; H107-N120 HydrophobicContact CB-CB 4.3Å; H107-S235 PolarHBondContact O-OG 3.06Å
108N94.4Very high94.9Very high9 Ų926.6 Ų26.65%0.04814%0.142CC..BIsolated β-bridgetrans-136.488.5175.1179.32.6000109.3F106 R110 D111 D112 T115 M239F106-N108 HydrophobicContact CE1-CB 4.29Å; F106-N108 HydrophobicContact CE2-CB 4.49Å; F106-N108 HydrophobicContact CZ-CB 3.79Å; N108-R110 PolarHBondContact O-N 3.47Å; N108-R110 VanDerWaalsContact O-N 3.16Å; N108-R110 PolarHBondContact OD1-N 3.28Å; N108-D111 WeakPolarHBondContact ND2-CB 3.32Å; N108-D111 PolarHBondContact ND2-OD2 3.39Å; N108-D111 VanDerWaalsContact ND2-OD2 3.1Å; N108-D111 PolarHBondContact OD1-N 3.48Å; N108-D112 HydrophobicContact CB-CB 4.22Å; N108-D112 CarbonylContact O-C 3.53Å; N108-D112 WeakPolarHBondContact O-CA 3.35Å; N108-D112 PolarHBondContact O-N 2.93Å; N108-T115 PolarHBondContact N-OG1 3.25Å; N108-M239 PolarHBondContact ND2-O 3.01Å
109G90.4Very high94.8Very high26 Ų2626.3 Ų26.327%0.26813%0.128SC..THydrogen-bonded Turntrans-60.8-24.8-178.900000115.2
110R89.8Confident94.7Very high168 Ų16826 Ų2663%0.63413%0.127SC*.THydrogen-bonded Turntrans-76.4-55.4-177177.7-165.4166.9150.59.3111.4N108 R238N108-R110 PolarHBondContact O-N 3.47Å; N108-R110 VanDerWaalsContact O-N 3.16Å; N108-R110 PolarHBondContact OD1-N 3.28Å; R110-R238 VanDerWaalsContact CZ-CZ 3.46Å; R110-R238 VanDerWaalsContact NH1-CZ 3.28Å; R110-R238 VanDerWaalsContact NH1-NH2 3.19Å
111D93.2Very high94.6Very high31 Ų3126 Ų2617%0.16613%0.127CC..THydrogen-bonded Turntrans-105-16-171.9-45.5-73.2000112.4N108 R238 R240N108-D111 WeakPolarHBondContact ND2-CB 3.32Å; N108-D111 PolarHBondContact ND2-OD2 3.39Å; N108-D111 VanDerWaalsContact ND2-OD2 3.1Å; N108-D111 PolarHBondContact OD1-N 3.48Å; D111-R238 VanDerWaalsContact OD2-CB 3.32Å; D111-R238 WeakPolarHBondContact OD2-CB 3.33Å; D111-R238 WeakPolarHBondContact OD2-CG 3.3Å; D111-R240 HydrophobicContact CB-CG 4.47Å; D111-R240 WeakPolarHBondContact O-CD 3.27Å; D111-R240 PolarHBondContact O-NE 3.01Å; D111-R240 PolarHBondContact O-NH2 3.35Å; D111-R240 VanDerWaalsContact O-NH2 3.14Å
112D95Very high94.5Very high0 Ų026.5 Ų26.50%013%0.128CC..BIsolated β-bridgetrans-136.262.1179-161.91.3000111.9N108 L114 T115 R240 M241 M242 H247N108-D112 HydrophobicContact CB-CB 4.22Å; N108-D112 CarbonylContact O-C 3.53Å; N108-D112 WeakPolarHBondContact O-CA 3.35Å; N108-D112 PolarHBondContact O-N 2.93Å; D112-L114 PolarHBondContact O-N 2.85Å; D112-T115 HydrophobicContact CB-CG2 4.2Å; D112-T115 WeakPolarHBondContact O-CB 3.5Å; D112-T115 PolarHBondContact O-N 3.24Å; D112-T115 PolarHBondContact O-OG1 3.49Å; D112-T115 VanDerWaalsContact OD2-CG2 3.24Å; D112-T115 WeakPolarHBondContact OD2-CG2 3.33Å; D112-R240 HydrophobicContact CB-CB 4.17Å; D112-R240 HydrophobicContact CB-CG 4.05Å; D112-R240 WeakPolarHBondContact OD2-CA 3.43Å; D112-M241 PolarHBondContact OD2-N 2.96Å; D112-M242 VanDerWaalsContact OD1-CB 3.28Å; D112-M242 WeakPolarHBondContact OD1-CB 3.21Å; D112-M242 PolarHBondContact OD2-N 3.33Å; D112-H247 IonicContact OD1-ND1 2.7Å
113P95.3Very high94.3Very high16 Ų1627 Ų2710%0.10414%0.138CC..G310 helixtrans-53.7-33.6-169.118.7-33.8000114T115 Q116 M251 A302P113-T115 PolarHBondContact O-N 3.34Å; P113-Q116 WeakPolarHBondContact O-CB 3.39Å; P113-Q116 PolarHBondContact O-N 2.86Å; P113-M251 HydrophobicContact CG-CE 4.45Å; P113-M251 HydrophobicContact CG-SD 4.06Å; P113-A302 VanDerWaalsContact O-CB 3.25Å; P113-A302 WeakPolarHBondContact O-CB 3.3Å
114L95.4Very high94.2Very high0 Ų032.5 Ų32.50%016%0.163CC..G310 helixtrans-60.9-20179.1-62-169.4000113.4D112 Q116 H117 M242 H247 F250 M251 A301 F305D112-L114 PolarHBondContact O-N 2.85Å; L114-Q116 VanDerWaalsContact C-N 3.3Å; L114-H117 PolarHBondContact O-CD2 2.87Å; L114-M242 HydrophobicContact CB-CE 4.22Å; L114-M242 HydrophobicContact CD1-CG 4.23Å; L114-H247 HydrophobicContact CD1-CB 4.45Å; L114-F250 HydrophobicContact CD1-CB 3.8Å; L114-F250 HydrophobicContact CD1-CD2 4.44Å; L114-F250 HydrophobicContact CD1-CG 4.47Å; L114-F250 HydrophobicContact CD2-CB 4.25Å; L114-M251 HydrophobicContact CD2-SD 3.99Å; L114-A301 HydrophobicContact CD2-CB 3.78Å; L114-F305 HydrophobicContact CB-CD1 4.21Å; L114-F305 HydrophobicContact CB-CG 4.38Å; L114-F305 HydrophobicContact CD1-CD2 4.27Å; L114-F305 HydrophobicContact CD1-CG 4.28Å; L114-F305 HydrophobicContact CD2-CB 4.1Å
115T95.2Very high94.2Very high0 Ų037.5 Ų37.50%018%0.183CC..G310 helixtrans-77.2-13.2174.264.50000113.5F106 H107 N108 D112 P113 H117 N120 M241F106-T115 HydrophobicContact CD1-CG2 4.26Å; F106-T115 HydrophobicContact CE1-CG2 4.12Å; H107-T115 WeakPolarHBondContact CA-OG1 3.36Å; H107-T115 WeakPolarHBondContact CB-O 3.17Å; N108-T115 PolarHBondContact N-OG1 3.25Å; D112-T115 HydrophobicContact CB-CG2 4.2Å; D112-T115 WeakPolarHBondContact O-CB 3.5Å; D112-T115 PolarHBondContact O-N 3.24Å; D112-T115 PolarHBondContact O-OG1 3.49Å; D112-T115 VanDerWaalsContact OD2-CG2 3.24Å; D112-T115 WeakPolarHBondContact OD2-CG2 3.33Å; P113-T115 PolarHBondContact O-N 3.34Å; T115-H117 PolarHBondContact O-N 2.9Å; T115-N120 VanDerWaalsContact O-CB 3.3Å; T115-N120 WeakPolarHBondContact O-CB 3.46Å; T115-N120 PolarHBondContact O-ND2 2.94Å; T115-M241 HydrophobicContact CG2-CE 4.26Å
116Q94.1Very high94.3Very high10 Ų1036.5 Ų36.55%0.04718%0.177CC..  trans-83.342.3178.8-162.9175.9-20.700112.2P113 L114 L121 E299 Q303P113-Q116 WeakPolarHBondContact O-CB 3.39Å; P113-Q116 PolarHBondContact O-N 2.86Å; L114-Q116 VanDerWaalsContact C-N 3.3Å; Q116-L121 HydrophobicContact CG-CD2 3.53Å; Q116-L121 HydrophobicContact CG-CG 4.32Å; Q116-E299 PolarHBondContact NE2-OE1 2.73Å; Q116-Q303 PolarHBondContact O-NE2 3.35Å; Q116-Q303 VanDerWaalsContact O-NE2 3.08Å
117H95.4Very high94.4Very high16 Ų1640.7 Ų40.77%0.07420%0.195CC..SBendtrans-98.1158.9-179.862.851.4000112.7L114 T115 F119 N120 L121 A302 F305 V306L114-H117 PolarHBondContact O-CD2 2.87Å; T115-H117 PolarHBondContact O-N 2.9Å; H117-F119 PolarHBondContact ND1-N 3.49Å; H117-F119 PolarHBondContact O-N 2.91Å; H117-N120 PolarHBondContact CE1-ND2 2.88Å; H117-N120 PolarHBondContact CE1-OD1 3.39Å; H117-N120 PolarHBondContact ND1-N 2.97Å; H117-N120 PolarHBondContact NE2-ND2 3.38Å; H117-N120 PolarHBondContact O-N 2.82Å; H117-L121 WeakPolarHBondContact O-CG 3.39Å; H117-L121 PolarHBondContact O-N 2.92Å; H117-L121 VanDerWaalsContact O-N 3.12Å; H117-A302 HydrophobicContact CB-CB 4.03Å; H117-A302 VanDerWaalsContact CB-O 3.26Å; H117-A302 WeakPolarHBondContact CB-O 3.3Å; H117-F305 AromaticContact CD2-CD1 3.85Å; H117-F305 AromaticContact CD2-CE1 3.92Å; H117-V306 HydrophobicContact CB-CB 3.57Å; H117-V306 HydrophobicContact CB-CG1 3.72Å; H117-V306 HydrophobicContact CB-CG2 4.1Å
118L96.3Very high94.3Very high11 Ų1139.3 Ų39.36%0.05819%0.19CC..THydrogen-bonded Turntrans-44.7-38-176-179.365.7000114.3W126 M129 R130 L133 F307 I452L118-W126 VanDerWaalsContact O-CD1 3.29Å; L118-M129 HydrophobicContact CB-CG 4.28Å; L118-M129 HydrophobicContact CD1-CB 4.17Å; L118-M129 HydrophobicContact CD1-CG 4.02Å; L118-R130 HydrophobicContact CD1-CB 3.87Å; L118-L133 HydrophobicContact CB-CD1 4.1Å; L118-L133 HydrophobicContact CD1-CD1 4.42Å; L118-L133 HydrophobicContact CD2-CD1 3.92Å; L118-L133 HydrophobicContact CG-CD1 4.37Å; L118-F307 HydrophobicContact CD2-CZ 4.33Å; L118-I452 HydrophobicContact CD2-CB 4.25Å; L118-I452 HydrophobicContact CD2-CD1 4.01Å; L118-I452 HydrophobicContact CD2-CG2 3.74Å
119F95.9Very high94.2Very high92 Ų9239 Ų3940%0.40419%0.188SC..THydrogen-bonded Turntrans-67.3-37.6-179.7-176.6-77.7000114.2R103 H117 V306R103-F119 WeakPolarHBondContact CD-O 3.18Å; R103-F119 PolarHBondContact NH1-O 2.9Å; H117-F119 PolarHBondContact ND1-N 3.49Å; H117-F119 PolarHBondContact O-N 2.91Å; F119-V306 HydrophobicContact CB-CG2 4.18Å
120N95.6Very high94.3Very high11 Ų1139.7 Ų39.76%0.05918%0.183CC..THydrogen-bonded Turntrans-94.3-23.7-174.6-76.7-9.4000113.3Q105 F106 H107 T115 H117Q105-N120 HydrophobicContact CB-CB 4.3Å; F106-N120 PolarHBondContact O-ND2 2.79Å; H107-N120 HydrophobicContact CB-CB 4.3Å; T115-N120 VanDerWaalsContact O-CB 3.3Å; T115-N120 WeakPolarHBondContact O-CB 3.46Å; T115-N120 PolarHBondContact O-ND2 2.94Å; H117-N120 PolarHBondContact CE1-ND2 2.88Å; H117-N120 PolarHBondContact CE1-OD1 3.39Å; H117-N120 PolarHBondContact ND1-N 2.97Å; H117-N120 PolarHBondContact NE2-ND2 3.38Å; H117-N120 PolarHBondContact O-N 2.82Å
121L96.1Very high94.4Very high1 Ų133.7 Ų33.71%0.00516%0.162CC..  trans-58.8150.5-178.9-77.4174.9000111.9Q116 H117 K125 W126 M129 R449Q116-L121 HydrophobicContact CG-CD2 3.53Å; Q116-L121 HydrophobicContact CG-CG 4.32Å; H117-L121 WeakPolarHBondContact O-CG 3.39Å; H117-L121 PolarHBondContact O-N 2.92Å; H117-L121 VanDerWaalsContact O-N 3.12Å; L121-K125 HydrophobicContact CD2-CB 4Å; L121-K125 HydrophobicContact CD2-CD 4.32Å; L121-W126 HydrophobicContact CB-CB 3.85Å; L121-W126 WeakPolarHBondContact O-CB 3.44Å; L121-M129 HydrophobicContact CD1-CB 3.89Å; L121-M129 HydrophobicContact CD1-CE 4.48Å; L121-M129 HydrophobicContact CD1-CG 4Å; L121-R449 VanDerWaalsContact O-CZ 3.32Å; L121-R449 PolarHBondContact O-NH1 3.45Å; L121-R449 PolarHBondContact O-NH2 3.12Å
122D95.4Very high94.1Very high25 Ų2533.5 Ų33.513%0.13416%0.159CC..  trans-127.4165.2176.8-82.2-19.1000111.8D102 R103 G104 K125 W126 R449D102-D122 VanDerWaalsContact CA-OD1 3.28Å; D102-D122 WeakPolarHBondContact CA-OD1 3.34Å; D102-D122 HydrophobicContact CB-CB 4.21Å; D102-D122 WeakPolarHBondContact CB-OD1 3.31Å; R103-D122 PolarHBondContact N-OD1 3.09Å; G104-D122 VanDerWaalsContact CA-OD2 3.25Å; G104-D122 WeakPolarHBondContact CA-OD2 3.3Å; G104-D122 PolarHBondContact N-OD2 3.42Å; D122-K125 PolarHBondContact O-N 2.8Å; D122-W126 PolarHBondContact O-N 3.15Å; D122-R449 IonicContact OD1-CZ 3.51Å; D122-R449 IonicContact OD1-NH1 2.63Å; D122-R449 IonicContact OD1-NH2 3.22Å; D122-R449 PolarHBondContact OD1-NH2 3.38Å
123G94.1Very high93.8Very high33 Ų3333.5 Ų33.534%0.3416%0.159SC..Hα-helixtrans55.9-141.9173.900000114.4D102 K125 W126 K127D102-G123 PolarHBondContact OD1-N 3.38Å; G123-K125 VanDerWaalsContact C-N 3.29Å; G123-K125 PolarHBondContact O-N 3.13Å; G123-W126 PolarHBondContact O-N 3.24Å; G123-K127 PolarHBondContact O-N 2.98Å; G123-K127 VanDerWaalsContact O-N 3.12Å
124K93.2Very high93.6Very high140 Ų14035.8 Ų35.861%0.60917%0.172SC*.Hα-helixtrans-58-40.1-179.1-167.3-172.3-174.4-51.60112.2W126 K127 D128K124-W126 VanDerWaalsContact C-N 3.31Å; K124-W126 PolarHBondContact O-N 3.27Å; K124-K127 PolarHBondContact O-N 2.93Å; K124-K127 VanDerWaalsContact O-N 3.15Å; K124-D128 IonicContact NZ-OD1 3.99Å; K124-D128 PolarHBondContact NZ-OD1 3.36Å; K124-D128 IonicContact NZ-OD2 2.67Å; K124-D128 PolarHBondContact NZ-OD2 3.18Å; K124-D128 WeakPolarHBondContact O-CB 3.37Å; K124-D128 PolarHBondContact O-N 3Å
125K92.9Very high93.2Very high110 Ų11038.9 Ų38.948%0.47819%0.193SC..Hα-helixtrans-59.4-42.3178.9-71.2-168.5170.6-1590112L121 D122 G123 M129L121-K125 HydrophobicContact CD2-CB 4Å; L121-K125 HydrophobicContact CD2-CD 4.32Å; D122-K125 PolarHBondContact O-N 2.8Å; G123-K125 VanDerWaalsContact C-N 3.29Å; G123-K125 PolarHBondContact O-N 3.13Å; K125-M129 WeakPolarHBondContact O-CB 3.23Å; K125-M129 PolarHBondContact O-N 3.47Å
126W95.6Very high92.6Very high16 Ų1639.5 Ų39.56%0.06120%0.196CC..Hα-helixtrans-63.9-47.8174.1169.476.9000112F97 L118 L121 D122 G123 K124 M129 R130 P448 R449F97-W126 HydrophobicContact CE1-CH2 4.21Å; F97-W126 HydrophobicContact CE1-CZ3 4.18Å; F97-W126 HydrophobicContact CE2-CH2 4.37Å; F97-W126 AromaticContact CZ-CH2 3.49Å; F97-W126 HydrophobicContact CZ-CH2 3.49Å; F97-W126 VanDerWaalsContact CZ-CH2 3.49Å; F97-W126 HydrophobicContact CZ-CZ2 4.48Å; F97-W126 AromaticContact CZ-CZ3 3.64Å; F97-W126 HydrophobicContact CZ-CZ3 3.64Å; L118-W126 VanDerWaalsContact O-CD1 3.29Å; L121-W126 HydrophobicContact CB-CB 3.85Å; L121-W126 WeakPolarHBondContact O-CB 3.44Å; D122-W126 PolarHBondContact O-N 3.15Å; G123-W126 PolarHBondContact O-N 3.24Å; K124-W126 VanDerWaalsContact C-N 3.31Å; K124-W126 PolarHBondContact O-N 3.27Å; W126-M129 PolarHBondContact O-N 3.38Å; W126-R130 HydrophobicContact CZ2-CB 4.36Å; W126-R130 HydrophobicContact CZ2-CG 4.23Å; W126-R130 VanDerWaalsContact O-CB 3.3Å; W126-R130 WeakPolarHBondContact O-CB 3.28Å; W126-R130 PolarHBondContact O-N 3.44Å; W126-P448 HydrophobicContact CH2-CB 4.15Å; W126-P448 WeakPolarHBondContact CZ2-O 3.39Å; W126-R449 VanDerWaalsContact CD1-CZ 3.42Å; W126-R449 VanDerWaalsContact CD1-NH1 3.31Å; W126-R449 VanDerWaalsContact CE2-CD 3.45Å; W126-R449 VanDerWaalsContact CE2-NE 3.29Å; W126-R449 VanDerWaalsContact CG-CZ 3.44Å; W126-R449 HydrophobicContact CH2-CG 3.97Å; W126-R449 HydrophobicContact CZ2-CB 4.35Å; W126-R449 HydrophobicContact CZ2-CG 3.52Å
127K94.6Very high92.4Very high90 Ų9040 Ų4039%0.39120%0.198SC..Hα-helixtrans-59.2-50.2-179.1-173.1-169.4175.3-157.40110.9G123 K124 M129 R130 Q131 E290G123-K127 PolarHBondContact O-N 2.98Å; G123-K127 VanDerWaalsContact O-N 3.12Å; K124-K127 PolarHBondContact O-N 2.93Å; K124-K127 VanDerWaalsContact O-N 3.15Å; K127-M129 PolarHBondContact O-N 3.02Å; K127-R130 WeakPolarHBondContact O-CB 3.47Å; K127-R130 PolarHBondContact O-N 3.09Å; K127-Q131 WeakPolarHBondContact O-CG 3.42Å; K127-Q131 PolarHBondContact O-N 3.46Å; K127-E290 IonicContact NZ-OE1 3.78Å; K127-E290 PolarHBondContact NZ-OE1 3.48Å; K127-E290 IonicContact NZ-OE2 2.74Å
128D91.5Very high92.1Very high20 Ų2041.9 Ų41.911%0.10721%0.211CC..Hα-helixtrans-59.1-47.6178.6-65.2-6.7000110.5K124 R130 Q131 R132 I292K124-D128 IonicContact NZ-OD1 3.99Å; K124-D128 PolarHBondContact NZ-OD1 3.36Å; K124-D128 IonicContact NZ-OD2 2.67Å; K124-D128 PolarHBondContact NZ-OD2 3.18Å; K124-D128 WeakPolarHBondContact O-CB 3.37Å; K124-D128 PolarHBondContact O-N 3Å; D128-R130 PolarHBondContact O-N 3.48Å; D128-Q131 PolarHBondContact O-N 2.98Å; D128-R132 VanDerWaalsContact O-CG 3.31Å; D128-R132 WeakPolarHBondContact O-CG 3.45Å; D128-R132 PolarHBondContact O-N 3.3Å; D128-I292 HydrophobicContact CB-CD1 4.39Å; D128-I292 HydrophobicContact CB-CG2 4.11Å
129M92.3Very high91.7Very high3 Ų344.5 Ų44.52%0.01523%0.231CC..Hα-helixtrans-63.6-41.3178.9-171.558.571.400111.8L118 L121 K125 W126 K127 Q131 R132 L133 M295 Q303L118-M129 HydrophobicContact CB-CG 4.28Å; L118-M129 HydrophobicContact CD1-CB 4.17Å; L118-M129 HydrophobicContact CD1-CG 4.02Å; L121-M129 HydrophobicContact CD1-CB 3.89Å; L121-M129 HydrophobicContact CD1-CE 4.48Å; L121-M129 HydrophobicContact CD1-CG 4Å; K125-M129 WeakPolarHBondContact O-CB 3.23Å; K125-M129 PolarHBondContact O-N 3.47Å; W126-M129 PolarHBondContact O-N 3.38Å; K127-M129 PolarHBondContact O-N 3.02Å; M129-Q131 VanDerWaalsContact C-N 3.34Å; M129-Q131 PolarHBondContact O-N 3.25Å; M129-R132 PolarHBondContact O-N 2.87Å; M129-L133 HydrophobicContact CG-CD1 3.69Å; M129-L133 HydrophobicContact CG-CG 4.42Å; M129-L133 WeakPolarHBondContact O-CB 3.39Å; M129-L133 WeakPolarHBondContact O-CD1 3.14Å; M129-L133 VanDerWaalsContact O-CG 3.23Å; M129-L133 WeakPolarHBondContact O-CG 3.33Å; M129-L133 PolarHBondContact O-N 3.09Å; M129-L133 VanDerWaalsContact O-N 3.09Å; M129-L133 HydrophobicContact SD-CD1 3.78Å; M129-L133 HydrophobicContact SD-CG 4.06Å; M129-M295 HydrophobicContact CE-CG 4.33Å; M129-M295 HydrophobicContact CE-SD 3.95Å; M129-M295 HydrophobicContact SD-SD 4.03Å; M129-Q303 HydrophobicContact CE-CG 4.32Å; M129-Q303 HydrophobicContact SD-CG 3.81Å
130R94.4Very high91.3Very high41 Ų4142.7 Ų42.716%0.15524%0.237CC..Hα-helixtrans-59.9-45.6176-177.863.6-177.4-124.1-0.5110.9L118 W126 K127 D128 L133 T134 P448 N450L118-R130 HydrophobicContact CD1-CB 3.87Å; W126-R130 HydrophobicContact CZ2-CB 4.36Å; W126-R130 HydrophobicContact CZ2-CG 4.23Å; W126-R130 VanDerWaalsContact O-CB 3.3Å; W126-R130 WeakPolarHBondContact O-CB 3.28Å; W126-R130 PolarHBondContact O-N 3.44Å; K127-R130 WeakPolarHBondContact O-CB 3.47Å; K127-R130 PolarHBondContact O-N 3.09Å; D128-R130 PolarHBondContact O-N 3.48Å; R130-L133 PolarHBondContact O-N 2.94Å; R130-T134 WeakPolarHBondContact O-CB 3.41Å; R130-T134 PolarHBondContact O-N 3.44Å; R130-T134 VanDerWaalsContact O-N 3.09Å; R130-T134 PolarHBondContact O-OG1 3.06Å; R130-P448 PolarHBondContact NH1-O 2.81Å; R130-N450 PolarHBondContact NH1-O 3.1Å; R130-N450 PolarHBondContact NH2-O 3.46Å; R130-N450 PolarHBondContact NH2-OD1 2.95Å
131Q90.7Very high90.9Very high42 Ų4246.8 Ų46.820%0.19626%0.255CS..Hα-helixtrans-64.4-45.1178-72.1168.5-38.500111.5K127 D128 M129 L133 T134 P135 L286 E290 I292K127-Q131 WeakPolarHBondContact O-CG 3.42Å; K127-Q131 PolarHBondContact O-N 3.46Å; D128-Q131 PolarHBondContact O-N 2.98Å; M129-Q131 VanDerWaalsContact C-N 3.34Å; M129-Q131 PolarHBondContact O-N 3.25Å; Q131-L133 VanDerWaalsContact C-N 3.28Å; Q131-L133 PolarHBondContact O-N 3.07Å; Q131-T134 PolarHBondContact O-N 3.25Å; Q131-P135 VanDerWaalsContact O-CD 3.27Å; Q131-P135 WeakPolarHBondContact O-CD 3.25Å; Q131-L286 HydrophobicContact CB-CD1 3.78Å; Q131-L286 HydrophobicContact CG-CD1 4.07Å; Q131-E290 PolarHBondContact NE2-OE2 3.01Å; Q131-E290 VanDerWaalsContact NE2-OE2 3.08Å; Q131-I292 HydrophobicContact CB-CD1 4.4Å
132R86.6Confident90.7Very high27 Ų2746.8 Ų46.810%0.10226%0.255CS..Hα-helixtrans-56.9-39.6177.2-72.4177.6-156.4-176.22113.1D128 M129 L278 I292 E293 G294 E299D128-R132 VanDerWaalsContact O-CG 3.31Å; D128-R132 WeakPolarHBondContact O-CG 3.45Å; D128-R132 PolarHBondContact O-N 3.3Å; M129-R132 PolarHBondContact O-N 2.87Å; R132-L278 HydrophobicContact CB-CD1 4.21Å; R132-I292 HydrophobicContact CG-CG2 4.28Å; R132-I292 VanDerWaalsContact CZ-CG2 3.44Å; R132-E293 PolarHBondContact NE-O 3.14Å; R132-E293 PolarHBondContact NH1-O 3.35Å; R132-E293 PolarHBondContact NH2-O 2.98Å; R132-G294 PolarHBondContact NH1-O 3.45Å; R132-G294 VanDerWaalsContact NH1-O 3.15Å; R132-E299 IonicContact NH1-OE2 3.69Å
133L89.7Confident90.4Very high0 Ų051.4 Ų51.40%027%0.274CS..Hα-helixtrans-88.5-24.4-172.3-64.1170000113.6L118 M129 R130 Q131 P135 T136 F137 F271 L275 Q303 F307 I452L118-L133 HydrophobicContact CB-CD1 4.1Å; L118-L133 HydrophobicContact CD1-CD1 4.42Å; L118-L133 HydrophobicContact CD2-CD1 3.92Å; L118-L133 HydrophobicContact CG-CD1 4.37Å; M129-L133 HydrophobicContact CG-CD1 3.69Å; M129-L133 HydrophobicContact CG-CG 4.42Å; M129-L133 WeakPolarHBondContact O-CB 3.39Å; M129-L133 WeakPolarHBondContact O-CD1 3.14Å; M129-L133 VanDerWaalsContact O-CG 3.23Å; M129-L133 WeakPolarHBondContact O-CG 3.33Å; M129-L133 PolarHBondContact O-N 3.09Å; M129-L133 VanDerWaalsContact O-N 3.09Å; M129-L133 HydrophobicContact SD-CD1 3.78Å; M129-L133 HydrophobicContact SD-CG 4.06Å; R130-L133 PolarHBondContact O-N 2.94Å; Q131-L133 VanDerWaalsContact C-N 3.28Å; Q131-L133 PolarHBondContact O-N 3.07Å; L133-P135 VanDerWaalsContact C-CD 3.43Å; L133-T136 VanDerWaalsContact O-CB 3.28Å; L133-T136 WeakPolarHBondContact O-CB 3.27Å; L133-T136 PolarHBondContact O-N 3.28Å; L133-T136 VanDerWaalsContact O-N 3.1Å; L133-T136 PolarHBondContact O-OG1 3.23Å; L133-F137 WeakPolarHBondContact O-CD2 3.46Å; L133-F271 HydrophobicContact CD2-CE2 3.64Å; L133-F271 HydrophobicContact CD2-CZ 3.69Å; L133-L275 HydrophobicContact CD2-CD2 3.89Å; L133-Q303 HydrophobicContact CD1-CG 4.3Å; L133-Q303 HydrophobicContact CD2-CG 4.43Å; L133-F307 HydrophobicContact CD1-CE2 3.73Å; L133-F307 HydrophobicContact CD1-CZ 3.92Å; L133-F307 HydrophobicContact CD2-CE2 4.11Å; L133-F307 HydrophobicContact CG-CE2 4.44Å; L133-I452 HydrophobicContact CB-CD1 3.83Å
134T90.6Very high90.1Very high63 Ų6354.9 Ų54.939%0.38728%0.279SS..G310 helixtrans-53.2-41-176.7-68.20000114.3R130 Q131 T136 F137R130-T134 WeakPolarHBondContact O-CB 3.41Å; R130-T134 PolarHBondContact O-N 3.44Å; R130-T134 VanDerWaalsContact O-N 3.09Å; R130-T134 PolarHBondContact O-OG1 3.06Å; Q131-T134 PolarHBondContact O-N 3.25Å; T134-T136 PolarHBondContact O-N 2.96Å; T134-T136 VanDerWaalsContact O-N 3.07Å; T134-F137 PolarHBondContact O-N 2.93Å
135P86Confident90Very high66 Ų6649.2 Ų49.243%0.42926%0.255SS..G310 helixtrans-54.8-28.8177.9-29.736.9000114.8Q131 L133 F137 T138 K141Q131-P135 VanDerWaalsContact O-CD 3.27Å; Q131-P135 WeakPolarHBondContact O-CD 3.25Å; L133-P135 VanDerWaalsContact C-CD 3.43Å; P135-F137 VanDerWaalsContact C-N 3.28Å; P135-F137 PolarHBondContact O-N 3.28Å; P135-T138 WeakPolarHBondContact O-CG2 3.36Å; P135-T138 PolarHBondContact O-OG1 3.09Å; P135-K141 WeakPolarHBondContact O-CG 3.49Å
136T84.3Confident90Very high12 Ų1244.6 Ų44.67%0.07424%0.235CC..G310 helixtrans-65-31.5176.4-34.70000112.8L133 T134 K141 M142 F271 L274L133-T136 VanDerWaalsContact O-CB 3.28Å; L133-T136 WeakPolarHBondContact O-CB 3.27Å; L133-T136 PolarHBondContact O-N 3.28Å; L133-T136 VanDerWaalsContact O-N 3.1Å; L133-T136 PolarHBondContact O-OG1 3.23Å; T134-T136 PolarHBondContact O-N 2.96Å; T134-T136 VanDerWaalsContact O-N 3.07Å; T136-K141 WeakPolarHBondContact O-CB 3.27Å; T136-M142 WeakPolarHBondContact O-CE 3.48Å; T136-F271 HydrophobicContact CG2-CB 4.4Å; T136-F271 HydrophobicContact CG2-CD2 3.49Å; T136-F271 VanDerWaalsContact CG2-CD2 3.49Å; T136-F271 HydrophobicContact CG2-CE2 4.18Å; T136-F271 HydrophobicContact CG2-CG 4.34Å; T136-L274 HydrophobicContact CG2-CD2 4.47Å; T136-L274 WeakPolarHBondContact OG1-CD2 3.45Å
137F89.4Confident89.8Confident20 Ų2047.7 Ų47.79%0.08826%0.258CS..G310 helixtrans-103.220.4-170.1-62.3-82.2000113L133 T134 P135 M142 F307 I452 R455L133-F137 WeakPolarHBondContact O-CD2 3.46Å; T134-F137 PolarHBondContact O-N 2.93Å; P135-F137 VanDerWaalsContact C-N 3.28Å; P135-F137 PolarHBondContact O-N 3.28Å; F137-M142 HydrophobicContact CD1-CE 4.3Å; F137-F307 HydrophobicContact CE1-CE1 4.22Å; F137-F307 HydrophobicContact CE2-CD1 4.38Å; F137-F307 AromaticContact CE2-CE1 3.53Å; F137-F307 HydrophobicContact CE2-CE1 3.53Å; F137-F307 AromaticContact CE2-CZ 3.67Å; F137-F307 HydrophobicContact CE2-CZ 3.67Å; F137-F307 AromaticContact CZ-CD1 3.66Å; F137-F307 HydrophobicContact CZ-CD1 3.66Å; F137-F307 AromaticContact CZ-CE1 3.2Å; F137-F307 HydrophobicContact CZ-CE1 3.2Å; F137-F307 AromaticContact CZ-CZ 3.81Å; F137-F307 HydrophobicContact CZ-CZ 3.81Å; F137-I452 HydrophobicContact CB-CG1 4.23Å; F137-I452 WeakPolarHBondContact CB-O 3.16Å; F137-I452 WeakPolarHBondContact CD1-O 3.49Å; F137-I452 HydrophobicContact CD2-CD1 3.64Å; F137-I452 HydrophobicContact CD2-CG1 3.49Å; F137-I452 VanDerWaalsContact CD2-CG1 3.49Å; F137-I452 HydrophobicContact CE2-CD1 4Å; F137-I452 HydrophobicContact CE2-CG1 4.05Å; F137-I452 HydrophobicContact CE2-CG2 4.35Å; F137-I452 HydrophobicContact CG-CG1 3.92Å; F137-I452 WeakPolarHBondContact CG-O 3.28Å; F137-R455 PolarHBondContact O-NH1 3.3Å
138T89.4Confident89.7Confident57 Ų5745.8 Ų45.835%0.3525%0.254SS..SBendtrans-73.9156174.758.10000111.4P135 G140 K141 M142P135-T138 WeakPolarHBondContact O-CG2 3.36Å; P135-T138 PolarHBondContact O-OG1 3.09Å; T138-G140 PolarHBondContact O-N 3.43Å; T138-K141 PolarHBondContact O-N 3.04Å; T138-K141 VanDerWaalsContact O-N 3.1Å; T138-K141 WeakPolarHBondContact OG1-CG 3.36Å; T138-K141 PolarHBondContact OG1-N 2.84Å; T138-M142 PolarHBondContact O-N 2.88Å
139S87.8Confident89.9Confident66 Ų6644.8 Ų44.846%0.46225%0.248SC..Hα-helixtrans-57.8-37.3178.2-53.50000112.6K141 M142 K143S139-K141 PolarHBondContact O-N 3.08Å; S139-M142 PolarHBondContact O-N 3.33Å; S139-K143 PolarHBondContact O-N 2.78Å
140G87.9Confident90Very high53 Ų5345.7 Ų45.755%0.54625%0.253SS..Hα-helixtrans-62.5-41.3175.800000112.7T138 K143 F144T138-G140 PolarHBondContact O-N 3.43Å; G140-K143 PolarHBondContact O-N 3.33Å; G140-F144 WeakPolarHBondContact O-CB 3.41Å; G140-F144 PolarHBondContact O-N 2.84Å
141K87Confident90.1Very high98 Ų9850.2 Ų50.243%0.42627%0.274SS..Hα-helixtrans-69.6-34.7174.6-69.2-64.9-1761800112.7P135 T136 T138 S139 F144 M145P135-K141 WeakPolarHBondContact O-CG 3.49Å; T136-K141 WeakPolarHBondContact O-CB 3.27Å; T138-K141 PolarHBondContact O-N 3.04Å; T138-K141 VanDerWaalsContact O-N 3.1Å; T138-K141 WeakPolarHBondContact OG1-CG 3.36Å; T138-K141 PolarHBondContact OG1-N 2.84Å; S139-K141 PolarHBondContact O-N 3.08Å; K141-F144 PolarHBondContact O-N 3.28Å; K141-M145 WeakPolarHBondContact O-CG 3.49Å; K141-M145 PolarHBondContact O-N 3.33Å
142M90.8Very high90.3Very high1 Ų149 Ų491%0.00527%0.269CS..Hα-helixtrans-62-49.4172.9-63.8-54.299.100111.1T136 F137 T138 S139 F144 M145 F146 Y353 R455 F456 M459T136-M142 WeakPolarHBondContact O-CE 3.48Å; F137-M142 HydrophobicContact CD1-CE 4.3Å; T138-M142 PolarHBondContact O-N 2.88Å; S139-M142 PolarHBondContact O-N 3.33Å; M142-F144 PolarHBondContact O-N 2.83Å; M142-M145 HydrophobicContact CE-CE 3.14Å; M142-M145 PolarHBondContact O-N 2.84Å; M142-M145 VanDerWaalsContact O-N 3.13Å; M142-M145 HydrophobicContact SD-CE 4.07Å; M142-F146 PolarHBondContact O-N 3.45Å; M142-Y353 HydrophobicContact CB-CE2 4.08Å; M142-R455 HydrophobicContact CG-CB 4.01Å; M142-R455 HydrophobicContact SD-CB 4.1Å; M142-F456 HydrophobicContact SD-CB 3.87Å; M142-F456 HydrophobicContact SD-CD2 4.32Å; M142-M459 HydrophobicContact CB-SD 4.44Å; M142-M459 HydrophobicContact SD-CE 4.27Å
143K90.2Very high90.8Very high122 Ų12247.7 Ų47.753%0.5326%0.264SS..Hα-helixtrans-59.2-36.2176.9-172.5169.7-177.4165.10112S139 G140 F146 Y353S139-K143 PolarHBondContact O-N 2.78Å; G140-K143 PolarHBondContact O-N 3.33Å; K143-F146 WeakPolarHBondContact O-CB 3.37Å; K143-Y353 HydrophobicContact CB-CD2 4.41Å; K143-Y353 HydrophobicContact CB-CE2 4.49Å; K143-Y353 HydrophobicContact CG-CG 4.36Å
144F87.1Confident91.1Very high105 Ų10552.4 Ų52.446%0.46129%0.286SS..Hα-helixtrans-68.6-39.5175.6-177.9-92000113.4G140 K141 M142 F146 P147 N269G140-F144 WeakPolarHBondContact O-CB 3.41Å; G140-F144 PolarHBondContact O-N 2.84Å; K141-F144 PolarHBondContact O-N 3.28Å; M142-F144 PolarHBondContact O-N 2.83Å; F144-F146 VanDerWaalsContact C-N 3.34Å; F144-P147 WeakPolarHBondContact O-CD 3.39Å; F144-N269 HydrophobicContact CE1-CB 3.39Å; F144-N269 HydrophobicContact CZ-CB 3.48Å; F144-N269 VanDerWaalsContact CZ-CB 3.48Å
145M90.8Very high91.4Very high21 Ų2151.9 Ų51.910%0.10328%0.28CS..Hα-helixtrans-76.3-21.9177.9-72.5-174.6-71.700113.1K141 M142 T148 V149 C190 F456K141-M145 WeakPolarHBondContact O-CG 3.49Å; K141-M145 PolarHBondContact O-N 3.33Å; M142-M145 HydrophobicContact CE-CE 3.14Å; M142-M145 PolarHBondContact O-N 2.84Å; M142-M145 VanDerWaalsContact O-N 3.13Å; M142-M145 HydrophobicContact SD-CE 4.07Å; M145-T148 VanDerWaalsContact O-CB 3.31Å; M145-T148 WeakPolarHBondContact O-CB 3.35Å; M145-T148 PolarHBondContact O-N 3.48Å; M145-V149 PolarHBondContact O-N 3.31Å; M145-C190 HydrophobicContact SD-CB 4.02Å; M145-F456 HydrophobicContact CE-CD2 4.01Å; M145-F456 HydrophobicContact CE-CE2 4.36Å; M145-F456 HydrophobicContact SD-CD2 4.43Å; M145-F456 HydrophobicContact SD-CE2 4.19Å
146F92.8Very high91.9Very high13 Ų1348.8 Ų48.86%0.05726%0.259CS..Hα-helixtrans-48.8-48.1-174.8-174.3-88.1000114.5M142 K143 F144 T148 V149 I150 L351 T352 Y353 I356 M459 I463M142-F146 PolarHBondContact O-N 3.45Å; K143-F146 WeakPolarHBondContact O-CB 3.37Å; F144-F146 VanDerWaalsContact C-N 3.34Å; F146-T148 PolarHBondContact O-N 2.89Å; F146-V149 PolarHBondContact O-N 3.4Å; F146-V149 VanDerWaalsContact O-N 3.08Å; F146-I150 HydrophobicContact CD1-CG1 3.82Å; F146-I150 HydrophobicContact CE1-CD1 3.76Å; F146-I150 HydrophobicContact CE1-CG1 3.4Å; F146-I150 HydrophobicContact CZ-CD1 3.73Å; F146-I150 HydrophobicContact CZ-CG1 3.89Å; F146-I150 WeakPolarHBondContact O-CG1 3.5Å; F146-I150 PolarHBondContact O-N 2.94Å; F146-L351 VanDerWaalsContact CE1-O 3.26Å; F146-L351 WeakPolarHBondContact CE1-O 3.18Å; F146-T352 VanDerWaalsContact CE1-C 3.45Å; F146-T352 VanDerWaalsContact CZ-O 3.25Å; F146-T352 WeakPolarHBondContact CZ-O 3.26Å; F146-Y353 HydrophobicContact CB-CD2 4.13Å; F146-Y353 AromaticContact CD2-CD2 3.59Å; F146-Y353 HydrophobicContact CD2-CD2 3.59Å; F146-Y353 HydrophobicContact CD2-CE2 4.49Å; F146-Y353 HydrophobicContact CD2-CG 4.38Å; F146-Y353 HydrophobicContact CE2-CD2 4.23Å; F146-Y353 HydrophobicContact CG-CD2 4Å; F146-Y353 VanDerWaalsContact CZ-N 3.34Å; F146-I356 HydrophobicContact CE2-CB 4.41Å; F146-I356 HydrophobicContact CE2-CG1 3.91Å; F146-I356 HydrophobicContact CZ-CG1 4.02Å; F146-M459 HydrophobicContact CB-SD 4.17Å; F146-M459 HydrophobicContact CD2-CG 4.08Å; F146-M459 HydrophobicContact CD2-SD 3.79Å; F146-M459 HydrophobicContact CG-SD 4.47Å; F146-I463 HydrophobicContact CD2-CD1 3.9Å; F146-I463 HydrophobicContact CE2-CD1 3.6Å; F146-I463 HydrophobicContact CE2-CG1 4.09Å; F146-I463 HydrophobicContact CZ-CD1 4.22Å
147P92.9Very high92.5Very high82 Ų8249 Ų4953%0.53226%0.261SS..Hα-helixtrans-61.7-31.4178.7-22.835.1000113.7F144 I150 K151F144-P147 WeakPolarHBondContact O-CD 3.39Å; P147-I150 PolarHBondContact O-N 3.42Å; P147-K151 PolarHBondContact O-N 3.44Å
148T91.8Very high92.8Very high49 Ų4952.9 Ų52.930%0.30128%0.277SS..Hα-helixtrans-67.6-42176.2-58.40000110.5M145 F146 I150 K151 V152 T189M145-T148 VanDerWaalsContact O-CB 3.31Å; M145-T148 WeakPolarHBondContact O-CB 3.35Å; M145-T148 PolarHBondContact O-N 3.48Å; F146-T148 PolarHBondContact O-N 2.89Å; T148-I150 VanDerWaalsContact C-N 3.34Å; T148-K151 PolarHBondContact O-N 3.45Å; T148-V152 WeakPolarHBondContact O-CG2 3.5Å; T148-V152 PolarHBondContact O-N 2.98Å; T148-V152 VanDerWaalsContact O-N 3.15Å; T148-T189 HydrophobicContact CG2-CG2 3.37Å
149V95.1Very high93.1Very high0 Ų050.3 Ų50.30%026%0.262CS..Hα-helixtrans-65.3-39.8176.4-172.20000110.8M145 F146 V152 S153 V186 M459 Q460 I463M145-V149 PolarHBondContact O-N 3.31Å; F146-V149 PolarHBondContact O-N 3.4Å; F146-V149 VanDerWaalsContact O-N 3.08Å; V149-V152 PolarHBondContact O-N 3.19Å; V149-S153 WeakPolarHBondContact O-CB 3.14Å; V149-S153 PolarHBondContact O-N 2.77Å; V149-V186 HydrophobicContact CG1-CG1 4.23Å; V149-V186 HydrophobicContact CG1-CG2 4.11Å; V149-V186 HydrophobicContact CG2-CG1 4.17Å; V149-M459 HydrophobicContact CG2-CE 3.92Å; V149-Q460 HydrophobicContact CG1-CB 4.31Å; V149-I463 HydrophobicContact CB-CD1 3.93Å; V149-I463 HydrophobicContact CG1-CB 4.45Å; V149-I463 HydrophobicContact CG1-CD1 3.51Å; V149-I463 HydrophobicContact CG1-CG2 4.36Å
150I95.9Very high93.5Very high22 Ų2247.3 Ų47.311%0.11324%0.24CC..Hα-helixtrans-59.8-48.8174.3-67.4-61.4000111.2F146 P147 T148 V152 S153 E154 L351 I463F146-I150 HydrophobicContact CD1-CG1 3.82Å; F146-I150 HydrophobicContact CE1-CD1 3.76Å; F146-I150 HydrophobicContact CE1-CG1 3.4Å; F146-I150 HydrophobicContact CZ-CD1 3.73Å; F146-I150 HydrophobicContact CZ-CG1 3.89Å; F146-I150 WeakPolarHBondContact O-CG1 3.5Å; F146-I150 PolarHBondContact O-N 2.94Å; P147-I150 PolarHBondContact O-N 3.42Å; T148-I150 VanDerWaalsContact C-N 3.34Å; I150-V152 VanDerWaalsContact C-N 3.31Å; I150-V152 PolarHBondContact O-N 3.06Å; I150-S153 WeakPolarHBondContact CA-OG 3.47Å; I150-S153 CarbonylContact O-C 3.49Å; I150-S153 WeakPolarHBondContact O-CA 3.24Å; I150-S153 WeakPolarHBondContact O-CB 3.44Å; I150-S153 PolarHBondContact O-N 2.89Å; I150-S153 PolarHBondContact O-OG 3.45Å; I150-E154 HydrophobicContact CG2-CG 4.38Å; I150-E154 WeakPolarHBondContact O-CG 3.48Å; I150-E154 PolarHBondContact O-N 3.08Å; I150-L351 HydrophobicContact CD1-CB 3.72Å; I150-I463 HydrophobicContact CD1-CD1 4.12Å; I150-I463 HydrophobicContact CD1-CG1 4.21Å; I150-I463 HydrophobicContact CD1-CG2 3.98Å
151K94.8Very high93.9Very high135 Ų13546.8 Ų46.859%0.58723%0.227SC*.Hα-helixtrans-55.8-44.2177.5-176.5-176.9177.3-168.80112.4P147 T148 S153 E154 E155P147-K151 PolarHBondContact O-N 3.44Å; T148-K151 PolarHBondContact O-N 3.45Å; K151-S153 VanDerWaalsContact C-N 3.3Å; K151-S153 PolarHBondContact O-N 3Å; K151-E154 PolarHBondContact O-N 3.26Å; K151-E155 PolarHBondContact O-N 3.5Å
152V96.1Very high94.2Very high16 Ų1648.2 Ų48.210%0.09724%0.235CC..Hα-helixtrans-65.7-37175.7179.70000110.8T148 V149 I150 E155 F156 F182 D185 V186 L199T148-V152 WeakPolarHBondContact O-CG2 3.5Å; T148-V152 PolarHBondContact O-N 2.98Å; T148-V152 VanDerWaalsContact O-N 3.15Å; V149-V152 PolarHBondContact O-N 3.19Å; I150-V152 VanDerWaalsContact C-N 3.31Å; I150-V152 PolarHBondContact O-N 3.06Å; V152-E155 PolarHBondContact O-N 2.9Å; V152-F156 WeakPolarHBondContact O-CB 3.23Å; V152-F156 PolarHBondContact O-N 3Å; V152-F182 HydrophobicContact CB-CE2 4.46Å; V152-F182 HydrophobicContact CG1-CD2 3.88Å; V152-F182 HydrophobicContact CG1-CE2 3.98Å; V152-D185 HydrophobicContact CG1-CB 3.7Å; V152-V186 HydrophobicContact CB-CG2 4.02Å; V152-V186 HydrophobicContact CG1-CG2 3.72Å; V152-L199 HydrophobicContact CG1-CD1 4.05Å
153S96.7Very high94.3Very high0 Ų052.2 Ų52.20%025%0.254CS..Hα-helixtrans-68.2-32.5178.485.20000113.7V149 I150 K151 F156 V157 I463 Q467V149-S153 WeakPolarHBondContact O-CB 3.14Å; V149-S153 PolarHBondContact O-N 2.77Å; I150-S153 WeakPolarHBondContact CA-OG 3.47Å; I150-S153 CarbonylContact O-C 3.49Å; I150-S153 WeakPolarHBondContact O-CA 3.24Å; I150-S153 WeakPolarHBondContact O-CB 3.44Å; I150-S153 PolarHBondContact O-N 2.89Å; I150-S153 PolarHBondContact O-OG 3.45Å; K151-S153 VanDerWaalsContact C-N 3.3Å; K151-S153 PolarHBondContact O-N 3Å; S153-F156 WeakPolarHBondContact O-CB 3.36Å; S153-F156 PolarHBondContact O-N 2.66Å; S153-V157 WeakPolarHBondContact O-CG2 3.22Å; S153-V157 PolarHBondContact O-N 3.39Å; S153-I463 VanDerWaalsContact CB-CG2 3.46Å; S153-Q467 PolarHBondContact OG-NE2 3.35Å
154E96Very high94.5Very high99 Ų9946.4 Ų46.446%0.46323%0.228SC..Hα-helixtrans-67.4-42.7173.9-69.9169.8170.400111I150 K151 F156 V157 K158I150-E154 HydrophobicContact CG2-CG 4.38Å; I150-E154 WeakPolarHBondContact O-CG 3.48Å; I150-E154 PolarHBondContact O-N 3.08Å; K151-E154 PolarHBondContact O-N 3.26Å; E154-F156 VanDerWaalsContact C-N 3.29Å; E154-F156 PolarHBondContact O-N 2.89Å; E154-V157 PolarHBondContact O-N 3.22Å; E154-K158 WeakPolarHBondContact O-CG 3.48Å; E154-K158 PolarHBondContact O-N 3.14Å
155E96.5Very high94.4Very high53 Ų5344.4 Ų44.425%0.24823%0.226CC..Hα-helixtrans-64.2-39.2174.7-166.457.8-153.400111.4K151 V152 V157 K158 V159 R200K151-E155 PolarHBondContact O-N 3.5Å; V152-E155 PolarHBondContact O-N 2.9Å; E155-V157 PolarHBondContact O-N 3.03Å; E155-K158 PolarHBondContact O-N 2.93Å; E155-K158 WeakPolarHBondContact OE2-CD 3.46Å; E155-K158 IonicContact OE2-NZ 3.53Å; E155-K158 PolarHBondContact OE2-NZ 3.35Å; E155-V159 WeakPolarHBondContact O-CG2 3.29Å; E155-V159 PolarHBondContact O-N 3.06Å; E155-R200 IonicContact OE1-CZ 3.41Å; E155-R200 IonicContact OE1-NE 3.14Å; E155-R200 PolarHBondContact OE1-NE 2.64Å; E155-R200 IonicContact OE1-NH2 3.73Å; E155-R200 PolarHBondContact OE1-NH2 3.15Å
156F97.2Very high93.9Very high0 Ų047.6 Ų47.60%026%0.256CS..Hα-helixtrans-58.4-45.6173.2170.1-130000112.3V152 S153 E154 K158 V159 I160 L178 M179 F182 L199 I468V152-F156 WeakPolarHBondContact O-CB 3.23Å; V152-F156 PolarHBondContact O-N 3Å; S153-F156 WeakPolarHBondContact O-CB 3.36Å; S153-F156 PolarHBondContact O-N 2.66Å; E154-F156 VanDerWaalsContact C-N 3.29Å; E154-F156 PolarHBondContact O-N 2.89Å; F156-K158 PolarHBondContact O-N 3.08Å; F156-V159 PolarHBondContact O-N 3.47Å; F156-I160 HydrophobicContact CD2-CD1 3.96Å; F156-I160 HydrophobicContact CD2-CG1 4.22Å; F156-I160 HydrophobicContact CE1-CD1 3.92Å; F156-I160 HydrophobicContact CE2-CD1 3.22Å; F156-I160 HydrophobicContact CE2-CG1 3.68Å; F156-I160 HydrophobicContact CZ-CD1 3.19Å; F156-I160 HydrophobicContact CZ-CG1 4.17Å; F156-I160 WeakPolarHBondContact O-CG1 3.43Å; F156-I160 PolarHBondContact O-N 3.3Å; F156-I160 VanDerWaalsContact O-N 3.08Å; F156-L178 HydrophobicContact CD2-CD1 4.21Å; F156-L178 HydrophobicContact CD2-CG 4.46Å; F156-L178 HydrophobicContact CE2-CD1 3.77Å; F156-L178 HydrophobicContact CE2-CD2 3.87Å; F156-L178 HydrophobicContact CE2-CG 3.58Å; F156-L178 HydrophobicContact CZ-CD2 4.43Å; F156-L178 HydrophobicContact CZ-CG 4.4Å; F156-M179 HydrophobicContact CE1-CE 4.19Å; F156-M179 HydrophobicContact CE2-CE 3.75Å; F156-M179 HydrophobicContact CZ-CE 3.25Å; F156-M179 HydrophobicContact CZ-SD 4.37Å; F156-F182 HydrophobicContact CB-CD2 3.77Å; F156-F182 HydrophobicContact CB-CE2 4.38Å; F156-F182 HydrophobicContact CB-CG 4.41Å; F156-F182 HydrophobicContact CD1-CB 4.39Å; F156-F182 HydrophobicContact CD1-CD1 4.37Å; F156-F182 AromaticContact CD1-CD2 3.9Å; F156-F182 HydrophobicContact CD1-CD2 3.9Å; F156-F182 HydrophobicContact CD1-CE2 4.29Å; F156-F182 AromaticContact CD1-CG 3.96Å; F156-F182 HydrophobicContact CD1-CG 3.96Å; F156-F182 HydrophobicContact CD2-CB 4.08Å; F156-F182 HydrophobicContact CD2-CG 4.49Å; F156-F182 HydrophobicContact CE1-CG 4.42Å; F156-F182 HydrophobicContact CE2-CB 4.45Å; F156-F182 HydrophobicContact CG-CB 4.08Å; F156-F182 AromaticContact CG-CD2 3.84Å; F156-F182 HydrophobicContact CG-CD2 3.84Å; F156-F182 HydrophobicContact CG-CG 4.01Å; F156-L199 HydrophobicContact CB-CD1 3.85Å; F156-L199 HydrophobicContact CB-CD2 4.24Å; F156-L199 HydrophobicContact CD2-CD2 3.79Å; F156-L199 HydrophobicContact CG-CD2 4.43Å; F156-I468 HydrophobicContact CE1-CD1 3.81Å; F156-I468 HydrophobicContact CE1-CG1 3.73Å; F156-I468 HydrophobicContact CZ-CD1 3.64Å; F156-I468 HydrophobicContact CZ-CG1 3.78Å
157V96.3Very high93Very high17 Ų1750.3 Ų50.310%0.10328%0.28CS..Hα-helixtrans-62.4-40.6174.8169.70000112.1S153 E154 E155 V159 I160 T161 Q467S153-V157 WeakPolarHBondContact O-CG2 3.22Å; S153-V157 PolarHBondContact O-N 3.39Å; E154-V157 PolarHBondContact O-N 3.22Å; E155-V157 PolarHBondContact O-N 3.03Å; V157-V159 PolarHBondContact O-N 3.26Å; V157-I160 PolarHBondContact O-N 3.46Å; V157-T161 WeakPolarHBondContact O-CB 3.37Å; V157-T161 PolarHBondContact O-N 3.05Å; V157-T161 PolarHBondContact O-OG1 3.06Å; V157-Q467 HydrophobicContact CG2-CB 3.68Å; V157-Q467 HydrophobicContact CG2-CG 4.14Å
158K96.4Very high91.9Very high102 Ų10255.1 Ų55.144%0.44330%0.296SS..Hα-helixtrans-60.7-45.9176.3-68175.7-156.6157.60111.2E154 E155 F156 I160 T161 E162E154-K158 WeakPolarHBondContact O-CG 3.48Å; E154-K158 PolarHBondContact O-N 3.14Å; E155-K158 PolarHBondContact O-N 2.93Å; E155-K158 WeakPolarHBondContact OE2-CD 3.46Å; E155-K158 IonicContact OE2-NZ 3.53Å; E155-K158 PolarHBondContact OE2-NZ 3.35Å; F156-K158 PolarHBondContact O-N 3.08Å; K158-I160 VanDerWaalsContact C-N 3.34Å; K158-I160 PolarHBondContact O-N 2.8Å; K158-T161 WeakPolarHBondContact O-CB 3.47Å; K158-T161 PolarHBondContact O-N 3.25Å; K158-E162 WeakPolarHBondContact O-CG 3.46Å; K158-E162 PolarHBondContact O-N 3.44Å
159V96Very high91.4Very high3 Ų358.5 Ų58.52%0.01831%0.312CS..Hα-helixtrans-60.4-41.8178.5170.10000112E155 F156 V157 Q163 L178 L199E155-V159 WeakPolarHBondContact O-CG2 3.29Å; E155-V159 PolarHBondContact O-N 3.06Å; F156-V159 PolarHBondContact O-N 3.47Å; V157-V159 PolarHBondContact O-N 3.26Å; V159-Q163 VanDerWaalsContact CG1-NE2 3.26Å; V159-Q163 WeakPolarHBondContact O-CG 3.33Å; V159-Q163 PolarHBondContact O-N 3.37Å; V159-Q163 PolarHBondContact O-NE2 2.95Å; V159-L178 HydrophobicContact CG1-CD1 4.4Å; V159-L199 HydrophobicContact CG2-CB 4.26Å; V159-L199 WeakPolarHBondContact CG2-O 3.33Å
160I96.4Very high91.3Very high3 Ų359.2 Ų59.22%0.01532%0.319CS..Hα-helixtrans-65.4-48.3174.5-63167.6000110.2F156 V157 K158 E162 Q163 V164 L173 L178 I468 F472 V503F156-I160 HydrophobicContact CD2-CD1 3.96Å; F156-I160 HydrophobicContact CD2-CG1 4.22Å; F156-I160 HydrophobicContact CE1-CD1 3.92Å; F156-I160 HydrophobicContact CE2-CD1 3.22Å; F156-I160 HydrophobicContact CE2-CG1 3.68Å; F156-I160 HydrophobicContact CZ-CD1 3.19Å; F156-I160 HydrophobicContact CZ-CG1 4.17Å; F156-I160 WeakPolarHBondContact O-CG1 3.43Å; F156-I160 PolarHBondContact O-N 3.3Å; F156-I160 VanDerWaalsContact O-N 3.08Å; V157-I160 PolarHBondContact O-N 3.46Å; K158-I160 VanDerWaalsContact C-N 3.34Å; K158-I160 PolarHBondContact O-N 2.8Å; I160-E162 VanDerWaalsContact C-N 3.27Å; I160-E162 PolarHBondContact O-N 3.33Å; I160-Q163 PolarHBondContact O-N 3.1Å; I160-V164 HydrophobicContact CG2-CG2 3.77Å; I160-V164 WeakPolarHBondContact O-CG2 3.26Å; I160-V164 PolarHBondContact O-N 2.86Å; I160-L173 HydrophobicContact CG2-CD1 4.19Å; I160-L178 HydrophobicContact CD1-CD2 4.12Å; I160-L178 HydrophobicContact CG1-CD1 4.44Å; I160-L178 HydrophobicContact CG1-CD2 3.76Å; I160-I468 HydrophobicContact CD1-CG1 4.04Å; I160-F472 HydrophobicContact CB-CE2 4.15Å; I160-F472 HydrophobicContact CB-CZ 3.93Å; I160-F472 HydrophobicContact CD1-CE2 4.49Å; I160-F472 HydrophobicContact CG2-CD1 4.11Å; I160-F472 HydrophobicContact CG2-CD2 4.2Å; I160-F472 HydrophobicContact CG2-CE1 3.64Å; I160-F472 HydrophobicContact CG2-CE2 3.76Å; I160-F472 HydrophobicContact CG2-CG 4.37Å; I160-F472 HydrophobicContact CG2-CZ 3.46Å; I160-F472 VanDerWaalsContact CG2-CZ 3.46Å; I160-V503 HydrophobicContact CG2-CG1 4.31Å
161T95.1Very high91.2Very high42 Ų4259 Ų5926%0.25832%0.32SS..Hα-helixtrans-53.6-46.8179.6-58.30000110.5V157 K158 Q163 V164 R505V157-T161 WeakPolarHBondContact O-CB 3.37Å; V157-T161 PolarHBondContact O-N 3.05Å; V157-T161 PolarHBondContact O-OG1 3.06Å; K158-T161 WeakPolarHBondContact O-CB 3.47Å; K158-T161 PolarHBondContact O-N 3.25Å; T161-Q163 VanDerWaalsContact C-N 3.28Å; T161-Q163 PolarHBondContact O-N 3.02Å; T161-V164 PolarHBondContact O-N 3.22Å; T161-R505 VanDerWaalsContact CG2-CZ 3.46Å; T161-R505 PolarHBondContact O-NH2 3Å
162E94Very high91.3Very high127 Ų12755.6 Ų55.659%0.59331%0.311SS*.Hα-helixtrans-63.8-30178.9-71.4168.7-142.700113.9K158 I160 R200K158-E162 WeakPolarHBondContact O-CG 3.46Å; K158-E162 PolarHBondContact O-N 3.44Å; I160-E162 VanDerWaalsContact C-N 3.27Å; I160-E162 PolarHBondContact O-N 3.33Å; E162-R200 IonicContact OE1-CZ 3.67Å; E162-R200 IonicContact OE1-NH1 2.65Å; E162-R200 PolarHBondContact OE1-NH1 2.82Å; E162-R200 IonicContact OE1-NH2 3.96Å; E162-R200 PolarHBondContact OE1-NH2 2.85Å; E162-R200 IonicContact OE2-CZ 2.94Å; E162-R200 IonicContact OE2-NH1 3.64Å; E162-R200 PolarHBondContact OE2-NH1 3.09Å; E162-R200 IonicContact OE2-NH2 3.73Å
163Q93.1Very high91.3Very high86 Ų8655.4 Ų55.440%0.40231%0.309SS..Hα-helixtrans-86.4-25.2178.5-68.917646.500113.4V159 I160 T161 P165 A171 L173V159-Q163 VanDerWaalsContact CG1-NE2 3.26Å; V159-Q163 WeakPolarHBondContact O-CG 3.33Å; V159-Q163 PolarHBondContact O-N 3.37Å; V159-Q163 PolarHBondContact O-NE2 2.95Å; I160-Q163 PolarHBondContact O-N 3.1Å; T161-Q163 VanDerWaalsContact C-N 3.28Å; T161-Q163 PolarHBondContact O-N 3.02Å; Q163-P165 WeakPolarHBondContact O-CD 3.48Å; Q163-A171 WeakPolarHBondContact O-CB 3.39Å; Q163-L173 HydrophobicContact CB-CD2 3.98Å
164V93.9Very high91.3Very high0 Ų058.1 Ų58.10%032%0.322CS..SBendtrans-100.1108.6-178.6-177.80000109I160 T161 A171 L173 F472 V503 R505I160-V164 HydrophobicContact CG2-CG2 3.77Å; I160-V164 WeakPolarHBondContact O-CG2 3.26Å; I160-V164 PolarHBondContact O-N 2.86Å; T161-V164 PolarHBondContact O-N 3.22Å; V164-A171 HydrophobicContact CG2-CB 4.3Å; V164-L173 HydrophobicContact CG2-CD1 3.85Å; V164-L173 HydrophobicContact CG2-CG 4.46Å; V164-F472 HydrophobicContact CB-CE1 4.33Å; V164-F472 HydrophobicContact CG2-CE1 4.46Å; V164-V503 WeakPolarHBondContact CG1-O 3.25Å; V164-V503 HydrophobicContact CG2-CB 3.94Å; V164-V503 HydrophobicContact CG2-CG1 3.86Å; V164-R505 HydrophobicContact CG1-CG 3.91Å; V164-R505 PolarHBondContact O-NE 3.2Å; V164-R505 PolarHBondContact O-NH2 3.44Å
165P85Confident91.4Very high63 Ų6353.6 Ų53.641%0.40930%0.301SS..  trans-64.1155.1178.128.1-34000111.2Q163 A167Q163-P165 WeakPolarHBondContact O-CD 3.48Å; P165-A167 HydrophobicContact CB-CB 4.47Å; P165-A167 PolarHBondContact O-N 3.4Å
166A80.5Confident91.3Very high88 Ų8852.6 Ų52.673%0.72730%0.296SS*.SBendtrans-72.8-8.4172.300000113.2
167A72.7Confident91.2Very high69 Ų6954.9 Ų54.957%0.5731%0.306SS*.SBendtrans-73.9158179.300000112.4P165 N169 G170P165-A167 HydrophobicContact CB-CB 4.47Å; P165-A167 PolarHBondContact O-N 3.4Å; A167-N169 PolarHBondContact O-N 3.5Å; A167-G170 PolarHBondContact O-N 2.98Å
168Q70.2Confident91.1Very high184 Ų18454.4 Ų54.486%0.8630%0.303SS*.THydrogen-bonded Turntrans-59.1-4.6-159.6-82-178.9-19.200118.8
169N82.2Confident91.1Very high120 Ų12049.5 Ų49.564%0.64228%0.282SS*.THydrogen-bonded Turntrans-119.82.3-174.3-65.1-19.4000114.5A167 R502A167-N169 PolarHBondContact O-N 3.5Å; N169-R502 PolarHBondContact O-NH1 2.88Å
170G91.6Very high91Very high14 Ų1449.6 Ų49.614%0.14428%0.283CS..  trans59.7-152.5-178.300000113.4A167 V503A167-G170 PolarHBondContact O-N 2.98Å; G170-V503 CarbonylContact C-O 3.55Å; G170-V503 WeakPolarHBondContact CA-O 3.5Å
171A95.4Very high90.9Very high18 Ų1850.6 Ų50.615%0.14929%0.286CS..EExtended strand (participates in β ladder)trans-135.8149.5174.200000111.2Q163 V164 L173 R502 V503Q163-A171 WeakPolarHBondContact O-CB 3.39Å; V164-A171 HydrophobicContact CG2-CB 4.3Å; A171-L173 HydrophobicContact CB-CD2 4.07Å; A171-R502 WeakPolarHBondContact O-CA 3.45Å; A171-V503 PolarHBondContact N-O 3.4Å; A171-V503 PolarHBondContact O-N 3.1Å
172V96.3Very high91Very high63 Ų6348.6 Ų48.638%0.38227%0.274SS..EExtended strand (participates in β ladder)trans-84.8118.7169.1177.40000108.1C477 Y500 L501V172-C477 HydrophobicContact CG2-CB 4.32Å; V172-Y500 HydrophobicContact CG1-CD1 4.37Å; V172-L501 WeakPolarHBondContact CA-O 3.11Å
173L96.8Very high91Very high13 Ų1342.6 Ų42.67%0.06825%0.246CC..EExtended strand (participates in β ladder)trans-116.4145.8-179.7-56.6-172.8000110.7I160 Q163 V164 A171 I175 L178 Y500 L501 V503I160-L173 HydrophobicContact CG2-CD1 4.19Å; Q163-L173 HydrophobicContact CB-CD2 3.98Å; V164-L173 HydrophobicContact CG2-CD1 3.85Å; V164-L173 HydrophobicContact CG2-CG 4.46Å; A171-L173 HydrophobicContact CB-CD2 4.07Å; L173-I175 HydrophobicContact CB-CD1 4.07Å; L173-I175 PolarHBondContact O-N 3.05Å; L173-L178 HydrophobicContact CD1-CD2 4.26Å; L173-Y500 WeakPolarHBondContact O-CA 3.34Å; L173-L501 PolarHBondContact N-O 3.08Å; L173-L501 PolarHBondContact O-N 3.26Å; L173-L501 VanDerWaalsContact O-N 3.12Å; L173-V503 HydrophobicContact CB-CG2 4.18Å; L173-V503 HydrophobicContact CD1-CB 4.2Å; L173-V503 HydrophobicContact CD1-CG2 3.9Å; L173-V503 HydrophobicContact CG-CB 4.41Å; L173-V503 HydrophobicContact CG-CG2 4.01Å
174E96.8Very high91.1Very high56 Ų5638.5 Ų38.526%0.26223%0.227SC..EExtended strand (participates in β ladder)trans-83.495.4168.9-157.9-110.9120.300109.4K176 E177 L178 G498 I499 Y500E174-K176 VanDerWaalsContact C-N 3.34Å; E174-K176 PolarHBondContact O-N 3.12Å; E174-K176 WeakPolarHBondContact OE1-CB 3.41Å; E174-E177 PolarHBondContact OE1-N 2.88Å; E174-E177 WeakPolarHBondContact OE2-CB 3.27Å; E174-L178 WeakPolarHBondContact O-CB 3.24Å; E174-L178 PolarHBondContact O-N 2.98Å; E174-G498 VanDerWaalsContact OE1-CA 3.26Å; E174-G498 WeakPolarHBondContact OE1-CA 3.25Å; E174-I499 CarbonylContact C-O 3.53Å; E174-I499 WeakPolarHBondContact CA-O 3.13Å; E174-Y500 HydrophobicContact CB-CD1 3.94Å; E174-Y500 HydrophobicContact CB-CE1 3.66Å; E174-Y500 HydrophobicContact CG-CD1 4.03Å; E174-Y500 HydrophobicContact CG-CD2 4.48Å; E174-Y500 HydrophobicContact CG-CE1 3.61Å; E174-Y500 HydrophobicContact CG-CE2 4.09Å; E174-Y500 HydrophobicContact CG-CG 4.45Å
175I97.3Very high91.1Very high5 Ų539 Ų393%0.02623%0.229CC..Hα-helixtrans-65.1-37.7-169.4-61.1-59.3000111.6L173 L178 M179 L323 I499 L501 V503L173-I175 HydrophobicContact CB-CD1 4.07Å; L173-I175 PolarHBondContact O-N 3.05Å; I175-L178 PolarHBondContact O-N 2.92Å; I175-M179 HydrophobicContact CG2-CG 3.99Å; I175-M179 WeakPolarHBondContact O-CB 3.31Å; I175-M179 VanDerWaalsContact O-CG 3.25Å; I175-M179 WeakPolarHBondContact O-CG 3.24Å; I175-M179 PolarHBondContact O-N 3.01Å; I175-L323 HydrophobicContact CG2-CB 4.12Å; I175-L323 HydrophobicContact CG2-CD1 3.41Å; I175-L323 VanDerWaalsContact CG2-CD1 3.41Å; I175-L323 HydrophobicContact CG2-CG 4.41Å; I175-I499 PolarHBondContact N-O 3.21Å; I175-L501 HydrophobicContact CD1-CB 4.37Å; I175-L501 HydrophobicContact CG1-CB 3.81Å; I175-L501 HydrophobicContact CG1-CD1 3.86Å; I175-L501 HydrophobicContact CG1-CG 3.85Å; I175-V503 HydrophobicContact CD1-CG2 3.89Å
176K94.8Very high91.5Very high32 Ų3236 Ų3614%0.13921%0.21CC..Hα-helixtrans-64.9-46.7-177.5178.8176.3173.6179.20112.1E174 L178 M179 A180 S320 T495 I499E174-K176 VanDerWaalsContact C-N 3.34Å; E174-K176 PolarHBondContact O-N 3.12Å; E174-K176 WeakPolarHBondContact OE1-CB 3.41Å; K176-L178 VanDerWaalsContact C-N 3.34Å; K176-L178 PolarHBondContact O-N 3.24Å; K176-M179 PolarHBondContact O-N 2.9Å; K176-A180 VanDerWaalsContact O-CB 3.27Å; K176-A180 WeakPolarHBondContact O-CB 3.45Å; K176-A180 PolarHBondContact O-N 3.48Å; K176-S320 WeakPolarHBondContact CA-OG 3.26Å; K176-T495 WeakPolarHBondContact CD-OG1 3.37Å; K176-T495 PolarHBondContact NZ-OG1 3.16Å; K176-T495 VanDerWaalsContact NZ-OG1 3.08Å; K176-I499 HydrophobicContact CB-CB 4.48Å; K176-I499 HydrophobicContact CB-CG1 4.45Å
177E93.7Very high92.1Very high48 Ų4832.2 Ų32.222%0.22418%0.177CC..Hα-helixtrans-59.2-45.6173.5175.262.3-149.200112.1E174 A180 R181 R207E174-E177 PolarHBondContact OE1-N 2.88Å; E174-E177 WeakPolarHBondContact OE2-CB 3.27Å; E177-A180 PolarHBondContact O-N 3.05Å; E177-R181 WeakPolarHBondContact O-CG 3.31Å; E177-R181 PolarHBondContact O-N 2.97Å; E177-R181 WeakPolarHBondContact OE1-CD 3.45Å; E177-R207 PolarHBondContact O-NH2 3.05Å; E177-R207 IonicContact OE1-CZ 3.33Å; E177-R207 IonicContact OE1-NE 2.8Å; E177-R207 PolarHBondContact OE1-NE 3.24Å; E177-R207 IonicContact OE1-NH2 3.17Å; E177-R207 PolarHBondContact OE1-NH2 3.04Å; E177-R207 VanDerWaalsContact OE1-NH2 3.08Å; E177-R207 IonicContact OE2-CZ 2.8Å; E177-R207 IonicContact OE2-NE 2.97Å; E177-R207 PolarHBondContact OE2-NE 3.48Å; E177-R207 IonicContact OE2-NH2 3.91Å; E177-R207 PolarHBondContact OE2-NH2 3.45Å
178L95.4Very high92.8Very high6 Ų628.9 Ų28.93%0.03115%0.15CC..Hα-helixtrans-62-46.1179.2-17966.2000112.2F156 V159 I160 L173 E174 I175 K176 A180 R181 F182F156-L178 HydrophobicContact CD2-CD1 4.21Å; F156-L178 HydrophobicContact CD2-CG 4.46Å; F156-L178 HydrophobicContact CE2-CD1 3.77Å; F156-L178 HydrophobicContact CE2-CD2 3.87Å; F156-L178 HydrophobicContact CE2-CG 3.58Å; F156-L178 HydrophobicContact CZ-CD2 4.43Å; F156-L178 HydrophobicContact CZ-CG 4.4Å; V159-L178 HydrophobicContact CG1-CD1 4.4Å; I160-L178 HydrophobicContact CD1-CD2 4.12Å; I160-L178 HydrophobicContact CG1-CD1 4.44Å; I160-L178 HydrophobicContact CG1-CD2 3.76Å; L173-L178 HydrophobicContact CD1-CD2 4.26Å; E174-L178 WeakPolarHBondContact O-CB 3.24Å; E174-L178 PolarHBondContact O-N 2.98Å; I175-L178 PolarHBondContact O-N 2.92Å; K176-L178 VanDerWaalsContact C-N 3.34Å; K176-L178 PolarHBondContact O-N 3.24Å; L178-A180 VanDerWaalsContact C-N 3.31Å; L178-A180 PolarHBondContact O-N 2.96Å; L178-R181 PolarHBondContact O-N 2.96Å; L178-F182 PolarHBondContact O-N 3.49Å
179M97Very high93.7Very high0 Ų021.3 Ų21.30%012%0.117CC..Hα-helixtrans-62.2-41.4175.4-70.6-46.786.900111F156 I175 K176 R181 F182 T183 M319 S320 L323 I468F156-M179 HydrophobicContact CE1-CE 4.19Å; F156-M179 HydrophobicContact CE2-CE 3.75Å; F156-M179 HydrophobicContact CZ-CE 3.25Å; F156-M179 HydrophobicContact CZ-SD 4.37Å; I175-M179 HydrophobicContact CG2-CG 3.99Å; I175-M179 WeakPolarHBondContact O-CB 3.31Å; I175-M179 VanDerWaalsContact O-CG 3.25Å; I175-M179 WeakPolarHBondContact O-CG 3.24Å; I175-M179 PolarHBondContact O-N 3.01Å; K176-M179 PolarHBondContact O-N 2.9Å; M179-R181 VanDerWaalsContact C-N 3.32Å; M179-R181 PolarHBondContact O-N 3.46Å; M179-F182 PolarHBondContact O-N 3.03Å; M179-T183 WeakPolarHBondContact O-CG2 3.15Å; M179-T183 PolarHBondContact O-N 3.01Å; M179-T183 PolarHBondContact O-OG1 3.47Å; M179-M319 HydrophobicContact CB-CB 4.43Å; M179-M319 HydrophobicContact CB-CE 4.32Å; M179-M319 HydrophobicContact CG-CB 3.8Å; M179-M319 HydrophobicContact SD-CB 3.67Å; M179-M319 HydrophobicContact SD-CE 4.16Å; M179-M319 HydrophobicContact SD-CG 4.49Å; M179-M319 HydrophobicContact SD-SD 4.08Å; M179-S320 WeakPolarHBondContact CG-OG 3.4Å; M179-L323 HydrophobicContact CE-CD1 4.33Å; M179-L323 HydrophobicContact CG-CD1 4.32Å; M179-L323 HydrophobicContact SD-CD1 3.86Å; M179-I468 HydrophobicContact CE-CD1 3.73Å; M179-I468 HydrophobicContact SD-CD1 3.9Å
180A93.6Very high93.9Very high4 Ų415.9 Ų15.93%0.0339%0.088CC..Hα-helixtrans-69.6-28.5179.100000112.8K176 E177 L178 T183 T184 R207 S316K176-A180 VanDerWaalsContact O-CB 3.27Å; K176-A180 WeakPolarHBondContact O-CB 3.45Å; K176-A180 PolarHBondContact O-N 3.48Å; E177-A180 PolarHBondContact O-N 3.05Å; L178-A180 VanDerWaalsContact C-N 3.31Å; L178-A180 PolarHBondContact O-N 2.96Å; A180-T183 PolarHBondContact O-OG1 3.04Å; A180-T184 VanDerWaalsContact O-CB 3.24Å; A180-T184 WeakPolarHBondContact O-CB 3.38Å; A180-T184 PolarHBondContact O-N 3.48Å; A180-T184 VanDerWaalsContact O-N 3.08Å; A180-T184 PolarHBondContact O-OG1 3.4Å; A180-R207 PolarHBondContact O-NH1 3.5Å; A180-S316 VanDerWaalsContact CA-CB 3.42Å
181R94Very high93.4Very high25 Ų2515.6 Ų15.69%0.0948%0.084CC..Hα-helixtrans-69.7-45.8171.1-75.7161.458.8-174.60.7111E177 L178 M179 T183 T184 D185 T198 L199E177-R181 WeakPolarHBondContact O-CG 3.31Å; E177-R181 PolarHBondContact O-N 2.97Å; E177-R181 WeakPolarHBondContact OE1-CD 3.45Å; L178-R181 PolarHBondContact O-N 2.96Å; M179-R181 VanDerWaalsContact C-N 3.32Å; M179-R181 PolarHBondContact O-N 3.46Å; R181-T183 PolarHBondContact O-N 3.5Å; R181-T184 PolarHBondContact O-N 2.9Å; R181-D185 PolarHBondContact O-N 2.84Å; R181-T198 WeakPolarHBondContact CA-OG1 3.43Å; R181-T198 PolarHBondContact NE-O 3.47Å; R181-T198 PolarHBondContact NH2-O 3.46Å; R181-T198 PolarHBondContact O-OG1 3.35Å; R181-T198 VanDerWaalsContact O-OG1 3.06Å; R181-L199 HydrophobicContact CB-CD2 4.02Å; R181-L199 HydrophobicContact CB-CG 4.43Å; R181-L199 PolarHBondContact NH2-O 3.26Å
182F96.2Very high92.6Very high0 Ų014.8 Ų14.80%08%0.077CC..Hα-helixtrans-56.6-51.5174.8169.8-119.1000112.1V152 F156 L178 M179 T184 D185 V186 L199 M319V152-F182 HydrophobicContact CB-CE2 4.46Å; V152-F182 HydrophobicContact CG1-CD2 3.88Å; V152-F182 HydrophobicContact CG1-CE2 3.98Å; F156-F182 HydrophobicContact CB-CD2 3.77Å; F156-F182 HydrophobicContact CB-CE2 4.38Å; F156-F182 HydrophobicContact CB-CG 4.41Å; F156-F182 HydrophobicContact CD1-CB 4.39Å; F156-F182 HydrophobicContact CD1-CD1 4.37Å; F156-F182 AromaticContact CD1-CD2 3.9Å; F156-F182 HydrophobicContact CD1-CD2 3.9Å; F156-F182 HydrophobicContact CD1-CE2 4.29Å; F156-F182 AromaticContact CD1-CG 3.96Å; F156-F182 HydrophobicContact CD1-CG 3.96Å; F156-F182 HydrophobicContact CD2-CB 4.08Å; F156-F182 HydrophobicContact CD2-CG 4.49Å; F156-F182 HydrophobicContact CE1-CG 4.42Å; F156-F182 HydrophobicContact CE2-CB 4.45Å; F156-F182 HydrophobicContact CG-CB 4.08Å; F156-F182 AromaticContact CG-CD2 3.84Å; F156-F182 HydrophobicContact CG-CD2 3.84Å; F156-F182 HydrophobicContact CG-CG 4.01Å; L178-F182 PolarHBondContact O-N 3.49Å; M179-F182 PolarHBondContact O-N 3.03Å; F182-T184 VanDerWaalsContact C-N 3.32Å; F182-T184 PolarHBondContact O-N 3.43Å; F182-D185 PolarHBondContact O-N 2.86Å; F182-V186 HydrophobicContact CD2-CG2 3.98Å; F182-V186 HydrophobicContact CE1-CG2 4.39Å; F182-V186 HydrophobicContact CE2-CG2 3.49Å; F182-V186 VanDerWaalsContact CE2-CG2 3.49Å; F182-V186 HydrophobicContact CZ-CG2 3.73Å; F182-V186 WeakPolarHBondContact O-CG2 3.48Å; F182-V186 PolarHBondContact O-N 3.42Å; F182-L199 HydrophobicContact CB-CD2 4.24Å; F182-M319 HydrophobicContact CD1-CE 3.69Å; F182-M319 HydrophobicContact CD1-SD 4.15Å; F182-M319 HydrophobicContact CE1-CE 4Å; F182-M319 HydrophobicContact CE1-SD 4.07Å
183T95.5Very high91.7Very high0 Ų012.2 Ų12.20%06%0.064CC..Hα-helixtrans-68.4-30.2-179.660.40000113.1M179 A180 R181 V186 I187 F312 M319M179-T183 WeakPolarHBondContact O-CG2 3.15Å; M179-T183 PolarHBondContact O-N 3.01Å; M179-T183 PolarHBondContact O-OG1 3.47Å; A180-T183 PolarHBondContact O-OG1 3.04Å; R181-T183 PolarHBondContact O-N 3.5Å; T183-V186 PolarHBondContact O-N 3.36Å; T183-I187 VanDerWaalsContact O-CG2 3.3Å; T183-I187 WeakPolarHBondContact O-CG2 3.39Å; T183-I187 PolarHBondContact O-N 3.08Å; T183-F312 WeakPolarHBondContact OG1-CA 3.25Å; T183-F312 PolarHBondContact OG1-O 2.93Å; T183-M319 HydrophobicContact CG2-CE 3.24Å
184T94Very high90.9Very high0 Ų013.8 Ų13.80%07%0.072CC..Hα-helixtrans-63.7-43.4173.1-650000111.5A180 R181 F182 I187 G188 C196 T198 F206 Y308A180-T184 VanDerWaalsContact O-CB 3.24Å; A180-T184 WeakPolarHBondContact O-CB 3.38Å; A180-T184 PolarHBondContact O-N 3.48Å; A180-T184 VanDerWaalsContact O-N 3.08Å; A180-T184 PolarHBondContact O-OG1 3.4Å; R181-T184 PolarHBondContact O-N 2.9Å; F182-T184 VanDerWaalsContact C-N 3.32Å; F182-T184 PolarHBondContact O-N 3.43Å; T184-I187 WeakPolarHBondContact O-CG2 3.15Å; T184-G188 PolarHBondContact O-N 3.38Å; T184-C196 HydrophobicContact CG2-CB 4.34Å; T184-T198 HydrophobicContact CG2-CG2 3.83Å; T184-F206 HydrophobicContact CG2-CD1 3.99Å; T184-Y308 HydrophobicContact CG2-CE2 4.27Å
185D94.1Very high90.2Very high10 Ų1016.3 Ų16.35%0.0538%0.083CC..Hα-helixtrans-71.6-36.7178.6-72.40.7000111.5V152 R181 F182 T189 C196 N197 T198 L199V152-D185 HydrophobicContact CG1-CB 3.7Å; R181-D185 PolarHBondContact O-N 2.84Å; F182-D185 PolarHBondContact O-N 2.86Å; D185-T189 WeakPolarHBondContact O-CB 3.37Å; D185-T189 PolarHBondContact O-N 3.38Å; D185-T189 PolarHBondContact O-OG1 3.41Å; D185-C196 WeakPolarHBondContact OD1-CB 3.43Å; D185-N197 PolarHBondContact OD1-N 3.38Å; D185-T198 WeakPolarHBondContact OD1-CB 3.49Å; D185-T198 PolarHBondContact OD1-N 2.81Å; D185-T198 PolarHBondContact OD1-OG1 3.33Å; D185-T198 PolarHBondContact OD2-N 3.26Å; D185-T198 VanDerWaalsContact OD2-N 3.11Å; D185-L199 HydrophobicContact CB-CD1 4.39Å; D185-L199 WeakPolarHBondContact OD2-CB 3.12Å; D185-L199 VanDerWaalsContact OD2-CG 3.3Å; D185-L199 WeakPolarHBondContact OD2-CG 3.42Å; D185-L199 PolarHBondContact OD2-N 3.46Å
186V94.7Very high89.4Confident0 Ų017 Ų170%09%0.089CC..Hα-helixtrans-61-52.9173.9167.50000111V149 V152 F182 T183 T189 C190 F456 Q460V149-V186 HydrophobicContact CG1-CG1 4.23Å; V149-V186 HydrophobicContact CG1-CG2 4.11Å; V149-V186 HydrophobicContact CG2-CG1 4.17Å; V152-V186 HydrophobicContact CB-CG2 4.02Å; V152-V186 HydrophobicContact CG1-CG2 3.72Å; F182-V186 HydrophobicContact CD2-CG2 3.98Å; F182-V186 HydrophobicContact CE1-CG2 4.39Å; F182-V186 HydrophobicContact CE2-CG2 3.49Å; F182-V186 VanDerWaalsContact CE2-CG2 3.49Å; F182-V186 HydrophobicContact CZ-CG2 3.73Å; F182-V186 WeakPolarHBondContact O-CG2 3.48Å; F182-V186 PolarHBondContact O-N 3.42Å; T183-V186 PolarHBondContact O-N 3.36Å; V186-T189 PolarHBondContact O-N 3.06Å; V186-C190 VanDerWaalsContact O-CB 3.25Å; V186-C190 WeakPolarHBondContact O-CB 3.45Å; V186-C190 PolarHBondContact O-N 3.48Å; V186-C190 PolarHBondContact O-SG 3.22Å; V186-C190 VanDerWaalsContact O-SG 3.35Å; V186-F456 HydrophobicContact CG1-CE1 4.22Å; V186-F456 HydrophobicContact CG1-CZ 3.67Å; V186-Q460 HydrophobicContact CG1-CB 4.13Å
187I91.4Very high89Confident9 Ų919.4 Ų19.45%0.04610%0.103CC..Hα-helixtrans-69.2-38.2-179.4-16466.7000111.2T183 T184 T189 A191 F192 Y308 F312 F456T183-I187 VanDerWaalsContact O-CG2 3.3Å; T183-I187 WeakPolarHBondContact O-CG2 3.39Å; T183-I187 PolarHBondContact O-N 3.08Å; T184-I187 WeakPolarHBondContact O-CG2 3.15Å; I187-T189 VanDerWaalsContact C-N 3.33Å; I187-T189 PolarHBondContact O-N 3.44Å; I187-A191 HydrophobicContact CD1-CB 3.75Å; I187-A191 HydrophobicContact CG1-CB 4.03Å; I187-A191 WeakPolarHBondContact O-CA 3.44Å; I187-A191 WeakPolarHBondContact O-CB 3.33Å; I187-A191 PolarHBondContact O-N 3.45Å; I187-F192 HydrophobicContact CG1-CE2 4.35Å; I187-Y308 HydrophobicContact CG2-CD2 3.62Å; I187-Y308 HydrophobicContact CG2-CE2 3.92Å; I187-F312 HydrophobicContact CG2-CB 4.26Å; I187-F456 HydrophobicContact CD1-CE1 3.8Å; I187-F456 HydrophobicContact CD1-CZ 4.11Å
188G89.3Confident88.8Confident0 Ų017.1 Ų17.10%09%0.092CC..Iπ-helixtrans-54.8-49.6175.400000111.9T184 F192 G193 I194T184-G188 PolarHBondContact O-N 3.38Å; G188-F192 CarbonylContact O-C 3.42Å; G188-F192 WeakPolarHBondContact O-CA 3.46Å; G188-F192 WeakPolarHBondContact O-CB 3.33Å; G188-F192 PolarHBondContact O-N 2.9Å; G188-F192 VanDerWaalsContact O-N 3.08Å; G188-G193 PolarHBondContact O-N 3.21Å; G188-I194 CarbonylContact C-O 3.45Å; G188-I194 PolarHBondContact O-N 2.92Å
189T88.4Confident88.5Confident25 Ų2516.9 Ų16.915%0.1539%0.091CC..Iπ-helixtrans-76.1-48.2-176.9-47.90000112T148 D185 V186 I187 G193 I194T148-T189 HydrophobicContact CG2-CG2 3.37Å; D185-T189 WeakPolarHBondContact O-CB 3.37Å; D185-T189 PolarHBondContact O-N 3.38Å; D185-T189 PolarHBondContact O-OG1 3.41Å; V186-T189 PolarHBondContact O-N 3.06Å; I187-T189 VanDerWaalsContact C-N 3.33Å; I187-T189 PolarHBondContact O-N 3.44Å; T189-G193 WeakPolarHBondContact O-CA 3.3Å; T189-G193 PolarHBondContact O-N 2.96Å; T189-G193 VanDerWaalsContact O-N 3.15Å; T189-I194 PolarHBondContact N-O 3.44Å
190C86.1Confident88.2Confident6 Ų621.5 Ų21.54%0.04111%0.108CC..Iπ-helixtrans-72.9-41.1-175.6-66.70000112.7M145 V186 F456M145-C190 HydrophobicContact SD-CB 4.02Å; V186-C190 VanDerWaalsContact O-CB 3.25Å; V186-C190 WeakPolarHBondContact O-CB 3.45Å; V186-C190 PolarHBondContact O-N 3.48Å; V186-C190 PolarHBondContact O-SG 3.22Å; V186-C190 VanDerWaalsContact O-SG 3.35Å; C190-F456 HydrophobicContact CB-CE2 3.94Å; C190-F456 HydrophobicContact CB-CZ 4.04Å
191A80.4Confident87.8Confident7 Ų725.3 Ų25.36%0.05813%0.131CC..Iπ-helixtrans-86.8-43-176.700000111.9I187 F271 M272I187-A191 HydrophobicContact CD1-CB 3.75Å; I187-A191 HydrophobicContact CG1-CB 4.03Å; I187-A191 WeakPolarHBondContact O-CA 3.44Å; I187-A191 WeakPolarHBondContact O-CB 3.33Å; I187-A191 PolarHBondContact O-N 3.45Å; A191-F271 HydrophobicContact CB-CB 4.08Å; A191-F271 HydrophobicContact CB-CD1 4.3Å; A191-F271 CarbonylContact O-C 3.01Å; A191-F271 WeakPolarHBondContact O-CA 3.43Å; A191-F271 VanDerWaalsContact O-CB 3.27Å; A191-F271 WeakPolarHBondContact O-CB 3.45Å; A191-F271 PolarHBondContact O-N 3.23Å; A191-F271 VanDerWaalsContact O-N 3.09Å; A191-M272 PolarHBondContact O-N 3.03Å
192F79.4Confident86.9Confident1 Ų126.7 Ų26.70%0.00414%0.143CC..Iπ-helixtrans-111.2-10.9-168.7-46.4-49.6000113.9I187 G188 I194 F206 R261 F271 V304 Y308I187-F192 HydrophobicContact CG1-CE2 4.35Å; G188-F192 CarbonylContact O-C 3.42Å; G188-F192 WeakPolarHBondContact O-CA 3.46Å; G188-F192 WeakPolarHBondContact O-CB 3.33Å; G188-F192 PolarHBondContact O-N 2.9Å; G188-F192 VanDerWaalsContact O-N 3.08Å; F192-I194 HydrophobicContact CB-CB 4.33Å; F192-I194 HydrophobicContact CB-CD1 3.8Å; F192-I194 HydrophobicContact CB-CG1 3.86Å; F192-I194 PolarHBondContact O-N 2.64Å; F192-F206 HydrophobicContact CD2-CE1 4.49Å; F192-F206 AromaticContact CD2-CZ 3.72Å; F192-F206 HydrophobicContact CD2-CZ 3.72Å; F192-F206 HydrophobicContact CE2-CE1 4.48Å; F192-F206 AromaticContact CE2-CZ 3.85Å; F192-F206 HydrophobicContact CE2-CZ 3.85Å; F192-R261 PolarHBondContact O-NH2 3.45Å; F192-F271 HydrophobicContact CE1-CD1 4.37Å; F192-V304 HydrophobicContact CD1-CG1 3.95Å; F192-V304 HydrophobicContact CD1-CG2 4.34Å; F192-V304 HydrophobicContact CE1-CB 4.02Å; F192-V304 HydrophobicContact CE1-CG1 3.55Å; F192-V304 HydrophobicContact CE1-CG2 4.06Å; F192-V304 HydrophobicContact CZ-CG1 3.95Å; F192-V304 WeakPolarHBondContact CZ-O 3.21Å; F192-Y308 HydrophobicContact CE2-CD2 4.1Å; F192-Y308 HydrophobicContact CE2-CG 4.27Å
193G78.1Confident85.9Confident10 Ų1032.5 Ų32.510%0.10318%0.179CC..  trans65.425.5-172.500000112.4G188 T189 D270G188-G193 PolarHBondContact O-N 3.21Å; T189-G193 WeakPolarHBondContact O-CA 3.3Å; T189-G193 PolarHBondContact O-N 2.96Å; T189-G193 VanDerWaalsContact O-N 3.15Å; G193-D270 WeakPolarHBondContact CA-OD2 3.41Å; G193-D270 PolarHBondContact N-OD2 3.47Å
194I79.3Confident85.1Confident46 Ų4633.5 Ų33.524%0.23619%0.186CC..  trans-107.3124.5-178.7-60.1175.7000108.5G188 T189 F192 C196 L253G188-I194 CarbonylContact C-O 3.45Å; G188-I194 PolarHBondContact O-N 2.92Å; T189-I194 PolarHBondContact N-O 3.44Å; F192-I194 HydrophobicContact CB-CB 4.33Å; F192-I194 HydrophobicContact CB-CD1 3.8Å; F192-I194 HydrophobicContact CB-CG1 3.86Å; F192-I194 PolarHBondContact O-N 2.64Å; I194-C196 PolarHBondContact O-N 2.95Å; I194-C196 VanDerWaalsContact O-N 3.16Å; I194-L253 HydrophobicContact CD1-CD1 3.66Å
195E81.3Confident84.5Confident109 Ų10939.1 Ų39.151%0.50922%0.216SC..  trans-8388.6172.4-65.1-175.6176.800109N197E195-N197 PolarHBondContact O-N 2.93Å; E195-N197 PolarHBondContact O-ND2 3.33Å
196C81.5Confident83.8Confident20 Ų2039.3 Ų39.314%0.13522%0.216CC..  trans-64.6-25.7-179-58.70000112.7T184 D185 I194 T198T184-C196 HydrophobicContact CG2-CB 4.34Å; D185-C196 WeakPolarHBondContact OD1-CB 3.43Å; I194-C196 PolarHBondContact O-N 2.95Å; I194-C196 VanDerWaalsContact O-N 3.16Å; C196-T198 HydrophobicContact CB-CG2 3.94Å; C196-T198 PolarHBondContact O-N 3.03Å
197N86.5Confident83.3Confident81 Ų8139.7 Ų39.743%0.43322%0.217SC..  trans49.930.3179.1-67.6-46.7000113.7D185 E195 L199 R200 T201D185-N197 PolarHBondContact OD1-N 3.38Å; E195-N197 PolarHBondContact O-N 2.93Å; E195-N197 PolarHBondContact O-ND2 3.33Å; N197-L199 PolarHBondContact O-N 3.02Å; N197-R200 PolarHBondContact O-N 3.49Å; N197-T201 PolarHBondContact O-N 2.96Å
198T88.6Confident83Confident0 Ų041.6 Ų41.60%023%0.23CC..THydrogen-bonded Turntrans-69.3-23.7-177.1630000111.9R181 T184 D185 C196 R200 T201 S204R181-T198 WeakPolarHBondContact CA-OG1 3.43Å; R181-T198 PolarHBondContact NE-O 3.47Å; R181-T198 PolarHBondContact NH2-O 3.46Å; R181-T198 PolarHBondContact O-OG1 3.35Å; R181-T198 VanDerWaalsContact O-OG1 3.06Å; T184-T198 HydrophobicContact CG2-CG2 3.83Å; D185-T198 WeakPolarHBondContact OD1-CB 3.49Å; D185-T198 PolarHBondContact OD1-N 2.81Å; D185-T198 PolarHBondContact OD1-OG1 3.33Å; D185-T198 PolarHBondContact OD2-N 3.26Å; D185-T198 VanDerWaalsContact OD2-N 3.11Å; C196-T198 HydrophobicContact CB-CG2 3.94Å; C196-T198 PolarHBondContact O-N 3.03Å; T198-R200 PolarHBondContact O-N 2.87Å; T198-T201 WeakPolarHBondContact CA-O 2.92Å; T198-T201 CarbonylContact O-C 3.5Å; T198-S204 VanDerWaalsContact CG2-OG 3.29Å; T198-S204 WeakPolarHBondContact CG2-OG 3.48Å
199L89.2Confident83Confident2 Ų242.8 Ų42.81%0.0124%0.236CC..THydrogen-bonded Turntrans-61.6-20.6168.2-75.4171.1000114V152 F156 V159 R181 F182 D185 N197V152-L199 HydrophobicContact CG1-CD1 4.05Å; F156-L199 HydrophobicContact CB-CD1 3.85Å; F156-L199 HydrophobicContact CB-CD2 4.24Å; F156-L199 HydrophobicContact CD2-CD2 3.79Å; F156-L199 HydrophobicContact CG-CD2 4.43Å; V159-L199 HydrophobicContact CG2-CB 4.26Å; V159-L199 WeakPolarHBondContact CG2-O 3.33Å; R181-L199 HydrophobicContact CB-CD2 4.02Å; R181-L199 HydrophobicContact CB-CG 4.43Å; R181-L199 PolarHBondContact NH2-O 3.26Å; F182-L199 HydrophobicContact CB-CD2 4.24Å; D185-L199 HydrophobicContact CB-CD1 4.39Å; D185-L199 WeakPolarHBondContact OD2-CB 3.12Å; D185-L199 VanDerWaalsContact OD2-CG 3.3Å; D185-L199 WeakPolarHBondContact OD2-CG 3.42Å; D185-L199 PolarHBondContact OD2-N 3.46Å; N197-L199 PolarHBondContact O-N 3.02Å
200R90.4Very high82.9Confident96 Ų9641.6 Ų41.636%0.36223%0.228SC..THydrogen-bonded Turntrans-111.8-29.4174.1-63.4-63-174.5173.4-0113E155 E162 N197 T198 P202E155-R200 IonicContact OE1-CZ 3.41Å; E155-R200 IonicContact OE1-NE 3.14Å; E155-R200 PolarHBondContact OE1-NE 2.64Å; E155-R200 IonicContact OE1-NH2 3.73Å; E155-R200 PolarHBondContact OE1-NH2 3.15Å; E162-R200 IonicContact OE1-CZ 3.67Å; E162-R200 IonicContact OE1-NH1 2.65Å; E162-R200 PolarHBondContact OE1-NH1 2.82Å; E162-R200 IonicContact OE1-NH2 3.96Å; E162-R200 PolarHBondContact OE1-NH2 2.85Å; E162-R200 IonicContact OE2-CZ 2.94Å; E162-R200 IonicContact OE2-NH1 3.64Å; E162-R200 PolarHBondContact OE2-NH1 3.09Å; E162-R200 IonicContact OE2-NH2 3.73Å; N197-R200 PolarHBondContact O-N 3.49Å; T198-R200 PolarHBondContact O-N 2.87Å; R200-P202 WeakPolarHBondContact O-CD 3.48Å
201T86.2Confident82.8Confident84 Ų8444.8 Ų44.852%0.51524%0.243SC..  trans-120.787.3180-48.90000109.1N197 T198 V203N197-T201 PolarHBondContact O-N 2.96Å; T198-T201 WeakPolarHBondContact CA-O 2.92Å; T198-T201 CarbonylContact O-C 3.5Å; T201-V203 PolarHBondContact O-N 2.68Å
202P75.5Confident83.2Confident54 Ų5447 Ų4735%0.35125%0.251SS..SBendtrans-60.3-32.5-168.5-2433.4000113.8R200 R207R200-P202 WeakPolarHBondContact O-CD 3.48Å; P202-R207 VanDerWaalsContact O-CD 3.27Å; P202-R207 WeakPolarHBondContact O-CD 3.47Å
203V74.6Confident83.5Confident122 Ų12248.2 Ų48.274%0.73926%0.258SS*.  trans-94.8109.6178.2-175.10000108.9T201T201-V203 PolarHBondContact O-N 2.68Å
204S78.4Confident83.7Confident21 Ų2148.8 Ų48.815%0.14726%0.258CS..  trans-134.6146.9170.174.40000110.1T198 F206 R207 T208T198-S204 VanDerWaalsContact CG2-OG 3.29Å; T198-S204 WeakPolarHBondContact CG2-OG 3.48Å; S204-F206 PolarHBondContact O-N 2.86Å; S204-F206 VanDerWaalsContact O-N 3.16Å; S204-R207 PolarHBondContact O-N 2.87Å; S204-R207 PolarHBondContact OG-N 3.44Å; S204-T208 PolarHBondContact O-N 2.66Å; S204-T208 PolarHBondContact O-OG1 3.23Å
205D80.8Confident83.9Confident118 Ų11849.7 Ų49.763%0.63127%0.266SS*.Hα-helixtrans-53.6-37.2175.1-72.5-13.9000111R207 T208 M209 F249D205-R207 PolarHBondContact O-N 2.66Å; D205-T208 PolarHBondContact O-N 2.89Å; D205-M209 VanDerWaalsContact O-CB 3.28Å; D205-M209 WeakPolarHBondContact O-CB 3.34Å; D205-M209 WeakPolarHBondContact O-CG 3.28Å; D205-M209 PolarHBondContact O-N 2.89Å; D205-F249 HydrophobicContact CB-CD2 4.4Å; D205-F249 HydrophobicContact CB-CE2 3.68Å; D205-F249 HydrophobicContact CB-CZ 4.29Å
206F80.2Confident84.1Confident15 Ų1547.8 Ų47.87%0.06626%0.259CS..Hα-helixtrans-56.8-50.8177.6-152.7-100.8000111.6T184 F192 S204 G210 F249 L253 Y308T184-F206 HydrophobicContact CG2-CD1 3.99Å; F192-F206 HydrophobicContact CD2-CE1 4.49Å; F192-F206 AromaticContact CD2-CZ 3.72Å; F192-F206 HydrophobicContact CD2-CZ 3.72Å; F192-F206 HydrophobicContact CE2-CE1 4.48Å; F192-F206 AromaticContact CE2-CZ 3.85Å; F192-F206 HydrophobicContact CE2-CZ 3.85Å; S204-F206 PolarHBondContact O-N 2.86Å; S204-F206 VanDerWaalsContact O-N 3.16Å; F206-G210 PolarHBondContact O-N 3.23Å; F206-F249 HydrophobicContact CB-CZ 4.17Å; F206-F249 AromaticContact CD2-CE1 3.8Å; F206-F249 HydrophobicContact CD2-CE1 3.8Å; F206-F249 AromaticContact CD2-CZ 3.7Å; F206-F249 HydrophobicContact CD2-CZ 3.7Å; F206-F249 HydrophobicContact CE2-CE1 4.36Å; F206-F249 HydrophobicContact CG-CE1 4.46Å; F206-F249 HydrophobicContact CG-CZ 4.32Å; F206-L253 HydrophobicContact CD2-CD2 4.4Å; F206-L253 HydrophobicContact CE2-CD1 4.2Å; F206-L253 HydrophobicContact CE2-CD2 3.57Å; F206-L253 HydrophobicContact CZ-CD2 4.41Å; F206-Y308 HydrophobicContact CD1-CD2 4.14Å; F206-Y308 HydrophobicContact CD1-CE1 4.26Å; F206-Y308 AromaticContact CD1-CE2 3.42Å; F206-Y308 HydrophobicContact CD1-CE2 3.42Å; F206-Y308 VanDerWaalsContact CD1-CE2 3.42Å; F206-Y308 AromaticContact CD1-CZ 3.46Å; F206-Y308 VanDerWaalsContact CD1-CZ 3.46Å; F206-Y308 HydrophobicContact CE1-CD1 4.45Å; F206-Y308 AromaticContact CE1-CD2 3.27Å; F206-Y308 HydrophobicContact CE1-CD2 3.27Å; F206-Y308 HydrophobicContact CE1-CE1 4.17Å; F206-Y308 AromaticContact CE1-CE2 3.01Å; F206-Y308 HydrophobicContact CE1-CE2 3.01Å; F206-Y308 HydrophobicContact CE1-CG 4.02Å; F206-Y308 AromaticContact CE1-CZ 3.49Å; F206-Y308 VanDerWaalsContact CE1-CZ 3.49Å; F206-Y308 AromaticContact CZ-CD2 3.79Å; F206-Y308 HydrophobicContact CZ-CD2 3.79Å; F206-Y308 AromaticContact CZ-CE2 3.95Å; F206-Y308 HydrophobicContact CZ-CE2 3.95Å; F206-Y308 HydrophobicContact CZ-CG 4.17Å; F206-Y308 PolarHBondContact O-OH 3.29Å
207R83.4Confident84.3Confident7 Ų749.4 Ų49.43%0.02627%0.265CS..Hα-helixtrans-65.8-48.5178.9-178.2175.4-169.768.42.9112.1E177 A180 P202 S204 D205 M209 G210 Q211E177-R207 PolarHBondContact O-NH2 3.05Å; E177-R207 IonicContact OE1-CZ 3.33Å; E177-R207 IonicContact OE1-NE 2.8Å; E177-R207 PolarHBondContact OE1-NE 3.24Å; E177-R207 IonicContact OE1-NH2 3.17Å; E177-R207 PolarHBondContact OE1-NH2 3.04Å; E177-R207 VanDerWaalsContact OE1-NH2 3.08Å; E177-R207 IonicContact OE2-CZ 2.8Å; E177-R207 IonicContact OE2-NE 2.97Å; E177-R207 PolarHBondContact OE2-NE 3.48Å; E177-R207 IonicContact OE2-NH2 3.91Å; E177-R207 PolarHBondContact OE2-NH2 3.45Å; A180-R207 PolarHBondContact O-NH1 3.5Å; P202-R207 VanDerWaalsContact O-CD 3.27Å; P202-R207 WeakPolarHBondContact O-CD 3.47Å; S204-R207 PolarHBondContact O-N 2.87Å; S204-R207 PolarHBondContact OG-N 3.44Å; D205-R207 PolarHBondContact O-N 2.66Å; R207-M209 VanDerWaalsContact C-N 3.35Å; R207-M209 PolarHBondContact O-N 2.75Å; R207-G210 PolarHBondContact O-N 3.13Å; R207-Q211 WeakPolarHBondContact O-CG 3.39Å; R207-Q211 PolarHBondContact O-N 2.82Å
208T86.8Confident84.5Confident50 Ų5049.4 Ų49.431%0.30726%0.259SS..Hα-helixtrans-61.9-43.9-178.2-56.80000111.3S204 D205 G210 Q211 K212S204-T208 PolarHBondContact O-N 2.66Å; S204-T208 PolarHBondContact O-OG1 3.23Å; D205-T208 PolarHBondContact O-N 2.89Å; T208-G210 VanDerWaalsContact C-N 3.33Å; T208-G210 PolarHBondContact O-N 3.48Å; T208-Q211 PolarHBondContact O-N 3.32Å; T208-K212 WeakPolarHBondContact O-CG 3.43Å; T208-K212 PolarHBondContact O-N 2.94Å
209M88.6Confident84.6Confident24 Ų2451.6 Ų51.612%0.11827%0.269CS..Hα-helixtrans-67.9-33.6176.9-64.8-57.6119.500112.1D205 R207 K212 D245 V246 F249 F250D205-M209 VanDerWaalsContact O-CB 3.28Å; D205-M209 WeakPolarHBondContact O-CB 3.34Å; D205-M209 WeakPolarHBondContact O-CG 3.28Å; D205-M209 PolarHBondContact O-N 2.89Å; R207-M209 VanDerWaalsContact C-N 3.35Å; R207-M209 PolarHBondContact O-N 2.75Å; M209-K212 HydrophobicContact CE-CD 4.18Å; M209-K212 HydrophobicContact SD-CD 4.34Å; M209-D245 HydrophobicContact SD-CB 4.37Å; M209-V246 HydrophobicContact SD-CG2 4.34Å; M209-F249 HydrophobicContact CB-CB 4.42Å; M209-F249 HydrophobicContact CB-CD1 3.75Å; M209-F249 HydrophobicContact CB-CE1 4.15Å; M209-F249 HydrophobicContact CB-CG 4.04Å; M209-F249 HydrophobicContact CG-CB 3.87Å; M209-F249 HydrophobicContact CG-CD1 3.86Å; M209-F249 HydrophobicContact CG-CD2 3.94Å; M209-F249 HydrophobicContact CG-CE1 4.38Å; M209-F249 HydrophobicContact CG-CE2 4.45Å; M209-F249 HydrophobicContact CG-CG 3.61Å; M209-F249 HydrophobicContact SD-CB 4.42Å; M209-F250 HydrophobicContact CB-CE2 4.38Å
210G84.9Confident84.5Confident0 Ų054.1 Ų54.10%030%0.296CS..Hα-helixtrans-62.6-47.1173.100000113.7F206 R207 T208 K212 V213 Y308F206-G210 PolarHBondContact O-N 3.23Å; R207-G210 PolarHBondContact O-N 3.13Å; T208-G210 VanDerWaalsContact C-N 3.33Å; T208-G210 PolarHBondContact O-N 3.48Å; G210-K212 PolarHBondContact O-N 2.81Å; G210-V213 WeakPolarHBondContact O-CB 3.27Å; G210-V213 PolarHBondContact O-N 2.7Å; G210-Y308 VanDerWaalsContact CA-CE1 3.49Å
211Q85Confident84.2Confident74 Ų7456 Ų5635%0.34631%0.307SS..Hα-helixtrans-64.5-40.2-178.9-73.5175.2-22.800112.3R207 T208 V213 F214R207-Q211 WeakPolarHBondContact O-CG 3.39Å; R207-Q211 PolarHBondContact O-N 2.82Å; T208-Q211 PolarHBondContact O-N 3.32Å; Q211-V213 PolarHBondContact O-N 2.85Å; Q211-V213 VanDerWaalsContact O-N 3.11Å; Q211-F214 PolarHBondContact O-N 3.42Å
212K87.9Confident84.2Confident54 Ų5458.6 Ų58.624%0.23532%0.316CS..Hα-helixtrans-55.7-29.8179.2-79.8-178.1163.9-177.30113.9T208 M209 G210 F214 T215 D216 D245 V246T208-K212 WeakPolarHBondContact O-CG 3.43Å; T208-K212 PolarHBondContact O-N 2.94Å; M209-K212 HydrophobicContact CE-CD 4.18Å; M209-K212 HydrophobicContact SD-CD 4.34Å; G210-K212 PolarHBondContact O-N 2.81Å; K212-F214 PolarHBondContact O-N 3.01Å; K212-T215 PolarHBondContact O-N 3.38Å; K212-D216 HydrophobicContact CB-CB 4.49Å; K212-D216 WeakPolarHBondContact O-CB 3.35Å; K212-D216 PolarHBondContact O-N 3.06Å; K212-D245 IonicContact NZ-OD2 3.97Å; K212-D245 PolarHBondContact NZ-OD2 2.89Å; K212-V246 HydrophobicContact CB-CG2 3.87Å; K212-V246 HydrophobicContact CD-CG2 4.46Å
213V86.2Confident84.9Confident25 Ų2560.2 Ų60.215%0.15232%0.322CS..Hα-helixtrans-58.8-31.7179175.90000112.4G210 Q211 V246 F305 V309G210-V213 WeakPolarHBondContact O-CB 3.27Å; G210-V213 PolarHBondContact O-N 2.7Å; Q211-V213 PolarHBondContact O-N 2.85Å; Q211-V213 VanDerWaalsContact O-N 3.11Å; V213-V246 HydrophobicContact CG2-CG1 3.78Å; V213-F305 HydrophobicContact CB-CZ 4.45Å; V213-F305 HydrophobicContact CG1-CE2 4.27Å; V213-F305 HydrophobicContact CG1-CZ 3.72Å; V213-F305 HydrophobicContact CG2-CE2 3.5Å; V213-F305 VanDerWaalsContact CG2-CE2 3.5Å; V213-F305 HydrophobicContact CG2-CZ 3.79Å; V213-V309 HydrophobicContact CB-CG1 4.21Å; V213-V309 HydrophobicContact CG1-CG1 4.16Å; V213-V309 HydrophobicContact CG2-CG1 3.94Å
214F82.7Confident85.6Confident23 Ų2355.1 Ų55.110%0.10129%0.291CS..Hα-helixtrans-93.4-23.8-175.9-62.3-81000113.1Q211 K212 V309 F312 E313 V492Q211-F214 PolarHBondContact O-N 3.42Å; K212-F214 PolarHBondContact O-N 3.01Å; F214-V309 HydrophobicContact CE2-CB 3.98Å; F214-V309 HydrophobicContact CE2-CG1 4.49Å; F214-V309 HydrophobicContact CZ-CB 3.87Å; F214-F312 HydrophobicContact CD2-CZ 4.28Å; F214-F312 HydrophobicContact CE2-CE1 4.16Å; F214-F312 HydrophobicContact CE2-CE2 4.5Å; F214-F312 AromaticContact CE2-CZ 3.72Å; F214-F312 HydrophobicContact CE2-CZ 3.72Å; F214-E313 HydrophobicContact CD1-CG 4.43Å; F214-E313 HydrophobicContact CD2-CB 4.34Å; F214-E313 HydrophobicContact CD2-CG 4.11Å; F214-E313 HydrophobicContact CE1-CB 4.35Å; F214-E313 HydrophobicContact CE1-CG 4.15Å; F214-E313 HydrophobicContact CE2-CB 3.59Å; F214-E313 HydrophobicContact CE2-CG 3.82Å; F214-E313 HydrophobicContact CG-CG 4.4Å; F214-E313 HydrophobicContact CZ-CB 3.59Å; F214-E313 HydrophobicContact CZ-CG 3.83Å; F214-V492 HydrophobicContact CD1-CG1 4.45Å; F214-V492 HydrophobicContact CD1-CG2 4.1Å; F214-V492 HydrophobicContact CE1-CG1 4.23Å; F214-V492 HydrophobicContact CE1-CG2 4.37Å
215T82.4Confident85.9Confident64 Ų6455.4 Ų55.439%0.39329%0.29SS..Hα-helixtrans-103.8-37.5-173.957.20000113.1R47 K212R47-T215 PolarHBondContact NH2-O 3.11Å; K212-T215 PolarHBondContact O-N 3.38Å
216D86.9Confident86.3Confident69 Ų6952.4 Ų52.437%0.36927%0.272SS..  trans-99.9144.3-166.2-63.613.4000110.9K212 P243K212-D216 HydrophobicContact CB-CB 4.49Å; K212-D216 WeakPolarHBondContact O-CB 3.35Å; K212-D216 PolarHBondContact O-N 3.06Å; D216-P243 HydrophobicContact CB-CG 4.36Å
217M84.6Confident86.9Confident54 Ų5451.9 Ų51.927%0.26627%0.27SS..  trans-119.2136.5174.3-57.5-61.9-86.400108.9H219 T224 F228M217-H219 PolarHBondContact O-N 2.63Å; M217-T224 HydrophobicContact CE-CG2 3.24Å; M217-F228 HydrophobicContact CE-CE2 3.53Å; M217-F228 HydrophobicContact CE-CZ 3.74Å
218R90.8Very high87.1Confident81 Ų8153.9 Ų53.931%0.30628%0.279SS..SBendtrans-59.3-34.3176-172.4-170.9-17584.53.5112.6R240 M241 M242 E244R218-R240 VanDerWaalsContact CD-O 3.31Å; R218-R240 WeakPolarHBondContact CD-O 3.45Å; R218-M241 VanDerWaalsContact CB-O 3.26Å; R218-M241 WeakPolarHBondContact CB-O 3.39Å; R218-M242 WeakPolarHBondContact CD-O 3.47Å; R218-M242 PolarHBondContact NH1-O 2.96Å; R218-E244 IonicContact CZ-OE2 3.81Å; R218-E244 IonicContact NH1-OE2 3.32Å; R218-E244 PolarHBondContact NH1-OE2 3.42Å; R218-E244 IonicContact NH2-OE2 3.44Å; R218-E244 PolarHBondContact NH2-OE2 3.12Å
219H91.2Very high87.1Confident46 Ų4651.8 Ų51.821%0.21327%0.266CS..SBendtrans-118.5152.5-171.8-62-41.1000112.1M217 L223 T224 R240M217-H219 PolarHBondContact O-N 2.63Å; H219-L223 HydrophobicContact CB-CB 3.74Å; H219-L223 HydrophobicContact CB-CD1 4.49Å; H219-T224 PolarHBondContact O-OG1 2.94Å; H219-R240 PolarHBondContact CD2-O 2.86Å; H219-R240 PolarHBondContact NE2-O 3.3Å
220G88Confident87.2Confident55 Ų5555.1 Ų55.157%0.56728%0.28SS*.  trans-59.8166.9168.500000112.4L222 L223 T224G220-L222 VanDerWaalsContact C-N 3.3Å; G220-L222 PolarHBondContact O-N 2.82Å; G220-L222 VanDerWaalsContact O-N 3.12Å; G220-L223 PolarHBondContact O-N 2.81Å; G220-T224 WeakPolarHBondContact O-CB 3.32Å; G220-T224 PolarHBondContact O-N 2.7Å; G220-T224 PolarHBondContact O-OG1 2.94Å
221K82.9Confident87.5Confident136 Ų13655.9 Ų55.959%0.59129%0.285SS*.Hα-helixtrans-48.4-46-171-65.5-175.7-179.9-178.20114M225K221-M225 HydrophobicContact CB-CE 3.82Å; K221-M225 WeakPolarHBondContact O-CB 3.49Å; K221-M225 WeakPolarHBondContact O-CE 3.25Å; K221-M225 VanDerWaalsContact O-CG 3.28Å; K221-M225 WeakPolarHBondContact O-CG 3.43Å; K221-M225 PolarHBondContact O-N 3.44Å
222L86.2Confident87.8Confident138 Ų13858.6 Ų58.672%0.72330%0.296SS*.Hα-helixtrans-64.9-50.1-175-175.565.4000112.8G220 M225 F226G220-L222 VanDerWaalsContact C-N 3.3Å; G220-L222 PolarHBondContact O-N 2.82Å; G220-L222 VanDerWaalsContact O-N 3.12Å; L222-M225 PolarHBondContact O-N 2.83Å; L222-F226 PolarHBondContact O-N 3.1Å
223L90.4Very high88Confident88 Ų8859.5 Ų59.546%0.46130%0.303SS..Hα-helixtrans-68.4-37.3179.5-76.9175.1000111.4H219 G220 F226 V227 M239H219-L223 HydrophobicContact CB-CB 3.74Å; H219-L223 HydrophobicContact CB-CD1 4.49Å; G220-L223 PolarHBondContact O-N 2.81Å; L223-F226 WeakPolarHBondContact O-CB 3.47Å; L223-F226 PolarHBondContact O-N 3.01Å; L223-V227 WeakPolarHBondContact O-CG2 3.2Å; L223-V227 PolarHBondContact O-N 3.11Å; L223-M239 HydrophobicContact CB-CE 4.41Å; L223-M239 HydrophobicContact CD2-CE 4Å
224T88.6Confident88.4Confident16 Ų1658.3 Ų58.310%0.09830%0.296CS..Hα-helixtrans-59.7-46.9172.5-71.20000111.7M217 H219 G220 F226 V227 F228M217-T224 HydrophobicContact CE-CG2 3.24Å; H219-T224 PolarHBondContact O-OG1 2.94Å; G220-T224 WeakPolarHBondContact O-CB 3.32Å; G220-T224 PolarHBondContact O-N 2.7Å; G220-T224 PolarHBondContact O-OG1 2.94Å; T224-F226 VanDerWaalsContact C-N 3.31Å; T224-F226 PolarHBondContact O-N 2.67Å; T224-V227 PolarHBondContact O-N 3.01Å; T224-F228 HydrophobicContact CG2-CD2 3.74Å; T224-F228 HydrophobicContact CG2-CE2 3.49Å; T224-F228 VanDerWaalsContact CG2-CE2 3.49Å; T224-F228 VanDerWaalsContact O-CD2 3.25Å; T224-F228 WeakPolarHBondContact O-CD2 3.47Å; T224-F228 PolarHBondContact O-N 3.34Å
225M85.7Confident88.9Confident26 Ų2659 Ų5913%0.12830%0.303CS..Hα-helixtrans-61.5-39.2175.2-75.8-174.8-102.100112.3L76 K221 L222 F228 S229L76-M225 HydrophobicContact CD1-CB 4.11Å; L76-M225 HydrophobicContact CD1-CG 3.84Å; L76-M225 HydrophobicContact CD2-CG 4.2Å; L76-M225 HydrophobicContact CD2-SD 4.27Å; K221-M225 HydrophobicContact CB-CE 3.82Å; K221-M225 WeakPolarHBondContact O-CB 3.49Å; K221-M225 WeakPolarHBondContact O-CE 3.25Å; K221-M225 VanDerWaalsContact O-CG 3.28Å; K221-M225 WeakPolarHBondContact O-CG 3.43Å; K221-M225 PolarHBondContact O-N 3.44Å; L222-M225 PolarHBondContact O-N 2.83Å; M225-F228 PolarHBondContact O-N 3.06Å; M225-S229 VanDerWaalsContact O-CB 3.3Å; M225-S229 WeakPolarHBondContact O-CB 3.48Å; M225-S229 PolarHBondContact O-N 3.37Å; M225-S229 PolarHBondContact O-OG 2.98Å
226F89.8Confident89.5Confident56 Ų5665 Ų6525%0.24632%0.319CS..Hα-helixtrans-61.2-46.4175.2173.3-97.7000111.9L222 L223 T224 S229 F230 L233 A234 L237 M239L222-F226 PolarHBondContact O-N 3.1Å; L223-F226 WeakPolarHBondContact O-CB 3.47Å; L223-F226 PolarHBondContact O-N 3.01Å; T224-F226 VanDerWaalsContact C-N 3.31Å; T224-F226 PolarHBondContact O-N 2.67Å; F226-S229 PolarHBondContact O-N 2.99Å; F226-F230 AromaticContact CD2-CD2 3.71Å; F226-F230 HydrophobicContact CD2-CD2 3.71Å; F226-F230 HydrophobicContact CD2-CE2 4.39Å; F226-F230 HydrophobicContact CE2-CB 4.37Å; F226-F230 AromaticContact CE2-CD2 3.91Å; F226-F230 HydrophobicContact CE2-CD2 3.91Å; F226-F230 HydrophobicContact CE2-CG 4.45Å; F226-F230 PolarHBondContact O-N 2.85Å; F226-L233 HydrophobicContact CE2-CD2 4.1Å; F226-L233 HydrophobicContact CZ-CD2 3.81Å; F226-L233 HydrophobicContact CZ-CG 4.02Å; F226-A234 HydrophobicContact CE1-CB 4.16Å; F226-L237 HydrophobicContact CE1-CD1 3.98Å; F226-L237 HydrophobicContact CZ-CD1 3.84Å; F226-M239 HydrophobicContact CD1-CE 4.4Å; F226-M239 HydrophobicContact CD1-SD 3.76Å; F226-M239 HydrophobicContact CE1-SD 3.66Å
227V91.4Very high89.9Confident4 Ų466.8 Ų66.82%0.02433%0.327CS..Hα-helixtrans-61.4-45.7178.1174.10000111.2F106 L223 T224 F230 P231 A234 M239 M241F106-V227 HydrophobicContact CB-CG1 4Å; F106-V227 HydrophobicContact CD1-CG1 4.27Å; F106-V227 HydrophobicContact CD2-CG1 3.63Å; F106-V227 HydrophobicContact CE2-CG1 4.16Å; F106-V227 HydrophobicContact CG-CG1 3.69Å; L223-V227 WeakPolarHBondContact O-CG2 3.2Å; L223-V227 PolarHBondContact O-N 3.11Å; T224-V227 PolarHBondContact O-N 3.01Å; V227-F230 CarbonylContact O-C 3.33Å; V227-P231 VanDerWaalsContact O-CA 3.26Å; V227-P231 WeakPolarHBondContact O-CA 3.24Å; V227-P231 WeakPolarHBondContact O-CD 3.43Å; V227-P231 VanDerWaalsContact O-N 3.16Å; V227-A234 HydrophobicContact CB-CB 4.32Å; V227-A234 HydrophobicContact CG1-CB 4.28Å; V227-A234 HydrophobicContact CG2-CB 3.97Å; V227-M239 HydrophobicContact CG2-CE 3.57Å; V227-M239 HydrophobicContact CG2-SD 3.85Å; V227-M241 HydrophobicContact CG1-SD 4.18Å
228F87.7Confident90.4Very high49 Ų4971 Ų7122%0.21534%0.341CS..Hα-helixtrans-65.8-38.2178.5-76.4-53.9000113.3L76 M217 T224 M225 M241L76-F228 HydrophobicContact CD1-CB 4.04Å; M217-F228 HydrophobicContact CE-CE2 3.53Å; M217-F228 HydrophobicContact CE-CZ 3.74Å; T224-F228 HydrophobicContact CG2-CD2 3.74Å; T224-F228 HydrophobicContact CG2-CE2 3.49Å; T224-F228 VanDerWaalsContact CG2-CE2 3.49Å; T224-F228 VanDerWaalsContact O-CD2 3.25Å; T224-F228 WeakPolarHBondContact O-CD2 3.47Å; T224-F228 PolarHBondContact O-N 3.34Å; M225-F228 PolarHBondContact O-N 3.06Å; F228-M241 HydrophobicContact CE1-SD 4.45Å
229S87.5Confident90.6Very high6 Ų668.5 Ų68.54%0.04233%0.332CS..Hα-helixtrans-76.2-36.5-178.8-57.70000112M225 F226 P231M225-S229 VanDerWaalsContact O-CB 3.3Å; M225-S229 WeakPolarHBondContact O-CB 3.48Å; M225-S229 PolarHBondContact O-N 3.37Å; M225-S229 PolarHBondContact O-OG 2.98Å; F226-S229 PolarHBondContact O-N 2.99Å; S229-P231 VanDerWaalsContact C-CD 3.44Å; S229-P231 WeakPolarHBondContact O-CD 3.47Å
230F89.8Confident90.8Very high93 Ų9370 Ų7041%0.40834%0.336SS..  trans-129.257.3-173-51.3-74000113.1F226 V227 K232 L233 A234F226-F230 AromaticContact CD2-CD2 3.71Å; F226-F230 HydrophobicContact CD2-CD2 3.71Å; F226-F230 HydrophobicContact CD2-CE2 4.39Å; F226-F230 HydrophobicContact CE2-CB 4.37Å; F226-F230 AromaticContact CE2-CD2 3.91Å; F226-F230 HydrophobicContact CE2-CD2 3.91Å; F226-F230 HydrophobicContact CE2-CG 4.45Å; F226-F230 PolarHBondContact O-N 2.85Å; V227-F230 CarbonylContact O-C 3.33Å; F230-K232 VanDerWaalsContact C-N 3.31Å; F230-K232 PolarHBondContact O-N 3.43Å; F230-L233 HydrophobicContact CB-CB 4.06Å; F230-L233 PolarHBondContact O-N 3.42Å; F230-A234 PolarHBondContact O-N 2.89Å
231P92.3Very high91Very high16 Ų1669.5 Ų69.510%0.10432%0.32CS..Hα-helixtrans-59.9-37.7-170.620.9-32.8000113.3G104 F106 V227 S229 A234 S235G104-P231 WeakPolarHBondContact O-CG 3.46Å; F106-P231 HydrophobicContact CB-CB 3.84Å; F106-P231 HydrophobicContact CD2-CB 4.33Å; V227-P231 VanDerWaalsContact O-CA 3.26Å; V227-P231 WeakPolarHBondContact O-CA 3.24Å; V227-P231 WeakPolarHBondContact O-CD 3.43Å; V227-P231 VanDerWaalsContact O-N 3.16Å; S229-P231 VanDerWaalsContact C-CD 3.44Å; S229-P231 WeakPolarHBondContact O-CD 3.47Å; P231-A234 PolarHBondContact O-N 3.47Å; P231-S235 WeakPolarHBondContact O-CB 3.48Å; P231-S235 PolarHBondContact O-N 2.89Å
232K91.6Very high91.5Very high131 Ų13163.7 Ų63.757%0.5730%0.295SS*.Hα-helixtrans-66-38.9176.5-69.5-168.4174.9-167.90112.5F230 R236F230-K232 VanDerWaalsContact C-N 3.31Å; F230-K232 PolarHBondContact O-N 3.43Å; K232-R236 WeakPolarHBondContact O-CG 3.29Å; K232-R236 PolarHBondContact O-N 3.33Å; K232-R236 VanDerWaalsContact O-N 3.14Å
233L91.5Very high91.8Very high74 Ų7457.8 Ų57.839%0.38727%0.265SS..Hα-helixtrans-71.9-44.2178-178.559.1000110.2F226 F230 S235 R236 L237F226-L233 HydrophobicContact CE2-CD2 4.1Å; F226-L233 HydrophobicContact CZ-CD2 3.81Å; F226-L233 HydrophobicContact CZ-CG 4.02Å; F230-L233 HydrophobicContact CB-CB 4.06Å; F230-L233 PolarHBondContact O-N 3.42Å; L233-S235 VanDerWaalsContact C-N 3.29Å; L233-S235 PolarHBondContact O-N 2.92Å; L233-R236 WeakPolarHBondContact O-CB 3.28Å; L233-R236 PolarHBondContact O-N 3.32Å; L233-R236 VanDerWaalsContact O-N 3.14Å; L233-L237 HydrophobicContact CD1-CD1 4.35Å; L233-L237 HydrophobicContact CD1-CG 4.32Å; L233-L237 HydrophobicContact CG-CD1 4.05Å; L233-L237 HydrophobicContact CG-CG 4.44Å; L233-L237 WeakPolarHBondContact O-CG 3.38Å; L233-L237 PolarHBondContact O-N 3.19Å
234A94.3Very high91.9Very high0 Ų056.7 Ų56.70%026%0.257CS..Hα-helixtrans-56.3-42.7174.700000112.3F106 F226 V227 F230 P231 L237 R238 M239F106-A234 HydrophobicContact CD2-CB 4.02Å; F106-A234 HydrophobicContact CE2-CB 3.82Å; F226-A234 HydrophobicContact CE1-CB 4.16Å; V227-A234 HydrophobicContact CB-CB 4.32Å; V227-A234 HydrophobicContact CG1-CB 4.28Å; V227-A234 HydrophobicContact CG2-CB 3.97Å; F230-A234 PolarHBondContact O-N 2.89Å; P231-A234 PolarHBondContact O-N 3.47Å; A234-L237 CarbonylContact O-C 3.29Å; A234-L237 PolarHBondContact O-N 2.68Å; A234-R238 PolarHBondContact O-N 3.43Å; A234-M239 HydrophobicContact CB-CB 4.31Å; A234-M239 HydrophobicContact CB-CG 4.38Å; A234-M239 HydrophobicContact CB-SD 3.82Å; A234-M239 WeakPolarHBondContact O-CB 3.3Å; A234-M239 WeakPolarHBondContact O-CG 3.31Å; A234-M239 PolarHBondContact O-N 2.62Å
235S94Very high92.2Very high37 Ų3759 Ų5926%0.25927%0.269SS..Hα-helixtrans-64.1-42.9176.1-173.50000111.7H107 P231 L233 L237 R238H107-S235 PolarHBondContact O-OG 3.06Å; P231-S235 WeakPolarHBondContact O-CB 3.48Å; P231-S235 PolarHBondContact O-N 2.89Å; L233-S235 VanDerWaalsContact C-N 3.29Å; L233-S235 PolarHBondContact O-N 2.92Å; S235-L237 VanDerWaalsContact C-N 3.29Å; S235-L237 PolarHBondContact O-N 3.37Å; S235-R238 PolarHBondContact O-N 3.36Å
236R94.2Very high92.5Very high191 Ų19157.8 Ų57.872%0.72126%0.263SS*.Hα-helixtrans-63.1-33.7173.4-70.9177.9-160.2157.80.9113.1K232 L233 R238K232-R236 WeakPolarHBondContact O-CG 3.29Å; K232-R236 PolarHBondContact O-N 3.33Å; K232-R236 VanDerWaalsContact O-N 3.14Å; L233-R236 WeakPolarHBondContact O-CB 3.28Å; L233-R236 PolarHBondContact O-N 3.32Å; L233-R236 VanDerWaalsContact O-N 3.14Å; R236-R238 PolarHBondContact O-N 3.41Å
237L95.8Very high92.8Very high105 Ų10555.8 Ų55.855%0.5526%0.255SS..THydrogen-bonded Turntrans-78.18.2175.1-66.6174.9000113.1F226 L233 A234 S235 M239F226-L237 HydrophobicContact CE1-CD1 3.98Å; F226-L237 HydrophobicContact CZ-CD1 3.84Å; L233-L237 HydrophobicContact CD1-CD1 4.35Å; L233-L237 HydrophobicContact CD1-CG 4.32Å; L233-L237 HydrophobicContact CG-CD1 4.05Å; L233-L237 HydrophobicContact CG-CG 4.44Å; L233-L237 WeakPolarHBondContact O-CG 3.38Å; L233-L237 PolarHBondContact O-N 3.19Å; A234-L237 CarbonylContact O-C 3.29Å; A234-L237 PolarHBondContact O-N 2.68Å; S235-L237 VanDerWaalsContact C-N 3.29Å; S235-L237 PolarHBondContact O-N 3.37Å; L237-M239 HydrophobicContact CB-CG 4.22Å; L237-M239 PolarHBondContact O-N 3.05Å
238R94.4Very high92.9Very high144 Ų14459.3 Ų59.354%0.54327%0.271SS..THydrogen-bonded Turntrans58.230.4178.9-55.3-170-173.1171.23.4113.8R110 D111 A234 S235 R236R110-R238 VanDerWaalsContact CZ-CZ 3.46Å; R110-R238 VanDerWaalsContact NH1-CZ 3.28Å; R110-R238 VanDerWaalsContact NH1-NH2 3.19Å; D111-R238 VanDerWaalsContact OD2-CB 3.32Å; D111-R238 WeakPolarHBondContact OD2-CB 3.33Å; D111-R238 WeakPolarHBondContact OD2-CG 3.3Å; A234-R238 PolarHBondContact O-N 3.43Å; S235-R238 PolarHBondContact O-N 3.36Å; R236-R238 PolarHBondContact O-N 3.41Å
239M95.8Very high93.1Very high27 Ų2758.5 Ų58.513%0.13327%0.267CS..  trans-68156.7175.6-63.4-172.574.600110.6F106 N108 L223 F226 V227 A234 L237F106-M239 WeakPolarHBondContact CZ-O 3.03Å; N108-M239 PolarHBondContact ND2-O 3.01Å; L223-M239 HydrophobicContact CB-CE 4.41Å; L223-M239 HydrophobicContact CD2-CE 4Å; F226-M239 HydrophobicContact CD1-CE 4.4Å; F226-M239 HydrophobicContact CD1-SD 3.76Å; F226-M239 HydrophobicContact CE1-SD 3.66Å; V227-M239 HydrophobicContact CG2-CE 3.57Å; V227-M239 HydrophobicContact CG2-SD 3.85Å; A234-M239 HydrophobicContact CB-CB 4.31Å; A234-M239 HydrophobicContact CB-CG 4.38Å; A234-M239 HydrophobicContact CB-SD 3.82Å; A234-M239 WeakPolarHBondContact O-CB 3.3Å; A234-M239 WeakPolarHBondContact O-CG 3.31Å; A234-M239 PolarHBondContact O-N 2.62Å; L237-M239 HydrophobicContact CB-CG 4.22Å; L237-M239 PolarHBondContact O-N 3.05Å
240R94.9Very high93.3Very high77 Ų7758.2 Ų58.229%0.29127%0.265SS..  trans-117.3147.5170.4-61.7-176.4170.7-172.4-8108.1D111 D112 R218 H219 E244D111-R240 HydrophobicContact CB-CG 4.47Å; D111-R240 WeakPolarHBondContact O-CD 3.27Å; D111-R240 PolarHBondContact O-NE 3.01Å; D111-R240 PolarHBondContact O-NH2 3.35Å; D111-R240 VanDerWaalsContact O-NH2 3.14Å; D112-R240 HydrophobicContact CB-CB 4.17Å; D112-R240 HydrophobicContact CB-CG 4.05Å; D112-R240 WeakPolarHBondContact OD2-CA 3.43Å; R218-R240 VanDerWaalsContact CD-O 3.31Å; R218-R240 WeakPolarHBondContact CD-O 3.45Å; H219-R240 PolarHBondContact CD2-O 2.86Å; H219-R240 PolarHBondContact NE2-O 3.3Å; R240-E244 IonicContact NH1-OE1 2.64Å; R240-E244 PolarHBondContact NH1-OE1 3.46Å; R240-E244 IonicContact NH1-OE2 2.73Å; R240-E244 PolarHBondContact NH1-OE2 2.92Å; R240-E244 VanDerWaalsContact NH1-OE2 3.13Å
241M91.7Very high93.6Very high45 Ų4555 Ų5522%0.22225%0.252CS..  trans-113.8-29.9176.6-171.9172.266.500111.6F106 D112 T115 R218 V227 F228F106-M241 HydrophobicContact CB-CE 4.39Å; F106-M241 HydrophobicContact CB-SD 4.26Å; F106-M241 HydrophobicContact CD1-CB 3.76Å; F106-M241 HydrophobicContact CD1-CE 3.8Å; F106-M241 HydrophobicContact CD1-CG 4.48Å; F106-M241 HydrophobicContact CD1-SD 3.92Å; F106-M241 HydrophobicContact CE1-CB 3.66Å; F106-M241 HydrophobicContact CG-SD 4.37Å; D112-M241 PolarHBondContact OD2-N 2.96Å; T115-M241 HydrophobicContact CG2-CE 4.26Å; R218-M241 VanDerWaalsContact CB-O 3.26Å; R218-M241 WeakPolarHBondContact CB-O 3.39Å; V227-M241 HydrophobicContact CG1-SD 4.18Å; F228-M241 HydrophobicContact CE1-SD 4.45Å
242M93.2Very high93.6Very high14 Ų1461 Ų617%0.06927%0.273CS..SBendtrans-68.5134.2179.5-163.457.660.100111.7D112 L114 R218 V246 H247 F305D112-M242 VanDerWaalsContact OD1-CB 3.28Å; D112-M242 WeakPolarHBondContact OD1-CB 3.21Å; D112-M242 PolarHBondContact OD2-N 3.33Å; L114-M242 HydrophobicContact CB-CE 4.22Å; L114-M242 HydrophobicContact CD1-CG 4.23Å; R218-M242 WeakPolarHBondContact CD-O 3.47Å; R218-M242 PolarHBondContact NH1-O 2.96Å; M242-V246 HydrophobicContact CG-CB 4.34Å; M242-V246 HydrophobicContact CG-CG1 4.15Å; M242-V246 HydrophobicContact SD-CB 4.25Å; M242-V246 HydrophobicContact SD-CG1 3.65Å; M242-H247 HydrophobicContact CB-CB 4.41Å; M242-H247 HydrophobicContact CG-CB 4.03Å; M242-F305 HydrophobicContact CE-CD1 4.33Å; M242-F305 HydrophobicContact CE-CE1 3.42Å; M242-F305 VanDerWaalsContact CE-CE1 3.42Å; M242-F305 HydrophobicContact CE-CE2 4.03Å; M242-F305 HydrophobicContact CE-CZ 3.23Å; M242-F305 HydrophobicContact SD-CE2 4.13Å; M242-F305 HydrophobicContact SD-CZ 3.8Å
243P92.8Very high93.4Very high14 Ų1456.1 Ų56.19%0.09125%0.253CS..  trans-53.3140.3166.5-26.136.1000111.2D216 D245 V246 H247D216-P243 HydrophobicContact CB-CG 4.36Å; P243-D245 WeakPolarHBondContact CB-OD1 3.45Å; P243-D245 PolarHBondContact O-N 2.93Å; P243-V246 HydrophobicContact CB-CB 4.22Å; P243-V246 HydrophobicContact CB-CG2 3.99Å; P243-V246 HydrophobicContact CG-CG2 4.35Å; P243-V246 PolarHBondContact O-N 3.42Å; P243-H247 WeakPolarHBondContact O-CB 3.29Å; P243-H247 PolarHBondContact O-N 3.49Å
244E93.6Very high93.4Very high65 Ų6552.6 Ų52.630%0.30423%0.234SC..Hα-helixtrans-67.2-39.6-170.2-169.863.1-145.800112.3R218 R240 H247 Q248R218-E244 IonicContact CZ-OE2 3.81Å; R218-E244 IonicContact NH1-OE2 3.32Å; R218-E244 PolarHBondContact NH1-OE2 3.42Å; R218-E244 IonicContact NH2-OE2 3.44Å; R218-E244 PolarHBondContact NH2-OE2 3.12Å; R240-E244 IonicContact NH1-OE1 2.64Å; R240-E244 PolarHBondContact NH1-OE1 3.46Å; R240-E244 IonicContact NH1-OE2 2.73Å; R240-E244 PolarHBondContact NH1-OE2 2.92Å; R240-E244 VanDerWaalsContact NH1-OE2 3.13Å; E244-H247 WeakPolarHBondContact O-CB 3.41Å; E244-H247 PolarHBondContact O-N 3.35Å; E244-H247 IonicContact OE1-CD2 2.65Å; E244-Q248 HydrophobicContact CG-CG 4.41Å; E244-Q248 WeakPolarHBondContact O-CB 3.43Å; E244-Q248 VanDerWaalsContact O-CG 3.25Å; E244-Q248 WeakPolarHBondContact O-CG 3.34Å; E244-Q248 PolarHBondContact O-N 3.49Å; E244-Q248 PolarHBondContact OE1-NE2 3.05Å
245D93.8Very high93.2Very high66 Ų6656 Ų5635%0.35325%0.252SS..Hα-helixtrans-62.2-45.817655.7-17.2000112.2M209 K212 P243 Q248 F249M209-D245 HydrophobicContact SD-CB 4.37Å; K212-D245 IonicContact NZ-OD2 3.97Å; K212-D245 PolarHBondContact NZ-OD2 2.89Å; P243-D245 WeakPolarHBondContact CB-OD1 3.45Å; P243-D245 PolarHBondContact O-N 2.93Å; D245-Q248 PolarHBondContact O-N 3.27Å; D245-F249 WeakPolarHBondContact O-CB 3.26Å; D245-F249 PolarHBondContact O-N 3.16Å
246V93.4Very high93Very high0 Ų059.3 Ų59.30%027%0.267CS..Hα-helixtrans-59.9-46.8173.5177.10000110.4M209 K212 V213 M242 P243 Q248 F249 F250 F305M209-V246 HydrophobicContact SD-CG2 4.34Å; K212-V246 HydrophobicContact CB-CG2 3.87Å; K212-V246 HydrophobicContact CD-CG2 4.46Å; V213-V246 HydrophobicContact CG2-CG1 3.78Å; M242-V246 HydrophobicContact CG-CB 4.34Å; M242-V246 HydrophobicContact CG-CG1 4.15Å; M242-V246 HydrophobicContact SD-CB 4.25Å; M242-V246 HydrophobicContact SD-CG1 3.65Å; P243-V246 HydrophobicContact CB-CB 4.22Å; P243-V246 HydrophobicContact CB-CG2 3.99Å; P243-V246 HydrophobicContact CG-CG2 4.35Å; P243-V246 PolarHBondContact O-N 3.42Å; V246-Q248 PolarHBondContact O-N 3Å; V246-F249 PolarHBondContact O-N 3.36Å; V246-F250 HydrophobicContact CG1-CD2 3.85Å; V246-F250 HydrophobicContact CG1-CE2 3.9Å; V246-F250 WeakPolarHBondContact O-CD2 3.41Å; V246-F250 PolarHBondContact O-N 3.22Å; V246-F250 VanDerWaalsContact O-N 3.15Å; V246-F305 HydrophobicContact CG1-CE2 4.03Å
247H94.2Very high92.7Very high14 Ų1451 Ų517%0.06524%0.237CC..Hα-helixtrans-56.3-53.4177.4174.187.4000111.9D112 L114 M242 P243 E244 F249 F250 M251D112-H247 IonicContact OD1-ND1 2.7Å; L114-H247 HydrophobicContact CD1-CB 4.45Å; M242-H247 HydrophobicContact CB-CB 4.41Å; M242-H247 HydrophobicContact CG-CB 4.03Å; P243-H247 WeakPolarHBondContact O-CB 3.29Å; P243-H247 PolarHBondContact O-N 3.49Å; E244-H247 WeakPolarHBondContact O-CB 3.41Å; E244-H247 PolarHBondContact O-N 3.35Å; E244-H247 IonicContact OE1-CD2 2.65Å; H247-F249 VanDerWaalsContact C-N 3.28Å; H247-F249 PolarHBondContact O-N 3.08Å; H247-F250 PolarHBondContact O-N 3.2Å; H247-M251 WeakPolarHBondContact O-CB 3.39Å; H247-M251 VanDerWaalsContact O-CG 3.26Å; H247-M251 WeakPolarHBondContact O-CG 3.45Å; H247-M251 PolarHBondContact O-N 3.36Å; H247-M251 VanDerWaalsContact O-N 3.08Å
248Q94.6Very high92.2Very high78 Ų7846.3 Ų46.336%0.36421%0.213SC..Hα-helixtrans-64.1-33.7-179.2-66.4-58.5-2900112.4E244 D245 V246 R252E244-Q248 HydrophobicContact CG-CG 4.41Å; E244-Q248 WeakPolarHBondContact O-CB 3.43Å; E244-Q248 VanDerWaalsContact O-CG 3.25Å; E244-Q248 WeakPolarHBondContact O-CG 3.34Å; E244-Q248 PolarHBondContact O-N 3.49Å; E244-Q248 PolarHBondContact OE1-NE2 3.05Å; D245-Q248 PolarHBondContact O-N 3.27Å; V246-Q248 PolarHBondContact O-N 3Å; Q248-R252 WeakPolarHBondContact O-CB 3.44Å; Q248-R252 VanDerWaalsContact O-CG 3.25Å; Q248-R252 WeakPolarHBondContact O-CG 3.31Å; Q248-R252 PolarHBondContact O-N 2.87Å; Q248-R252 VanDerWaalsContact O-N 3.08Å; Q248-R252 PolarHBondContact O-NE 2.76Å; Q248-R252 VanDerWaalsContact O-NE 3.1Å
249F92.3Very high91.9Very high31 Ų3142 Ų4214%0.13621%0.208CC..Hα-helixtrans-63-57.1177.1179.1-100.1000112.1D205 F206 M209 D245 V246 H247 M251 R252 L253D205-F249 HydrophobicContact CB-CD2 4.4Å; D205-F249 HydrophobicContact CB-CE2 3.68Å; D205-F249 HydrophobicContact CB-CZ 4.29Å; F206-F249 HydrophobicContact CB-CZ 4.17Å; F206-F249 AromaticContact CD2-CE1 3.8Å; F206-F249 HydrophobicContact CD2-CE1 3.8Å; F206-F249 AromaticContact CD2-CZ 3.7Å; F206-F249 HydrophobicContact CD2-CZ 3.7Å; F206-F249 HydrophobicContact CE2-CE1 4.36Å; F206-F249 HydrophobicContact CG-CE1 4.46Å; F206-F249 HydrophobicContact CG-CZ 4.32Å; M209-F249 HydrophobicContact CB-CB 4.42Å; M209-F249 HydrophobicContact CB-CD1 3.75Å; M209-F249 HydrophobicContact CB-CE1 4.15Å; M209-F249 HydrophobicContact CB-CG 4.04Å; M209-F249 HydrophobicContact CG-CB 3.87Å; M209-F249 HydrophobicContact CG-CD1 3.86Å; M209-F249 HydrophobicContact CG-CD2 3.94Å; M209-F249 HydrophobicContact CG-CE1 4.38Å; M209-F249 HydrophobicContact CG-CE2 4.45Å; M209-F249 HydrophobicContact CG-CG 3.61Å; M209-F249 HydrophobicContact SD-CB 4.42Å; D245-F249 WeakPolarHBondContact O-CB 3.26Å; D245-F249 PolarHBondContact O-N 3.16Å; V246-F249 PolarHBondContact O-N 3.36Å; H247-F249 VanDerWaalsContact C-N 3.28Å; H247-F249 PolarHBondContact O-N 3.08Å; F249-M251 PolarHBondContact O-N 2.76Å; F249-R252 PolarHBondContact O-N 3.24Å; F249-L253 WeakPolarHBondContact O-CB 3.48Å; F249-L253 PolarHBondContact O-N 3.43Å
250F92Very high91.5Very high0 Ų044.1 Ų44.10%022%0.219CC..Hα-helixtrans-68.1-34.9-176.7-76.5-77.2000112.6L114 M209 V246 H247 L253 V254 F305 Y308L114-F250 HydrophobicContact CD1-CB 3.8Å; L114-F250 HydrophobicContact CD1-CD2 4.44Å; L114-F250 HydrophobicContact CD1-CG 4.47Å; L114-F250 HydrophobicContact CD2-CB 4.25Å; M209-F250 HydrophobicContact CB-CE2 4.38Å; V246-F250 HydrophobicContact CG1-CD2 3.85Å; V246-F250 HydrophobicContact CG1-CE2 3.9Å; V246-F250 WeakPolarHBondContact O-CD2 3.41Å; V246-F250 PolarHBondContact O-N 3.22Å; V246-F250 VanDerWaalsContact O-N 3.15Å; H247-F250 PolarHBondContact O-N 3.2Å; F250-L253 HydrophobicContact CD1-CD2 4.07Å; F250-L253 HydrophobicContact CE1-CD2 4.41Å; F250-V254 WeakPolarHBondContact O-CB 3.26Å; F250-V254 WeakPolarHBondContact O-CG2 3.43Å; F250-V254 PolarHBondContact O-N 3.15Å; F250-V254 VanDerWaalsContact O-N 3.14Å; F250-F305 HydrophobicContact CD1-CB 4.29Å; F250-F305 HydrophobicContact CD1-CD2 4.24Å; F250-F305 AromaticContact CD2-CD2 3.52Å; F250-F305 HydrophobicContact CD2-CD2 3.52Å; F250-F305 HydrophobicContact CD2-CE2 4.09Å; F250-F305 HydrophobicContact CE1-CD2 4.35Å; F250-F305 AromaticContact CE2-CD2 3.66Å; F250-F305 HydrophobicContact CE2-CD2 3.66Å; F250-F305 AromaticContact CE2-CE2 4Å; F250-F305 HydrophobicContact CE2-CE2 4Å; F250-F305 HydrophobicContact CG-CB 4.26Å; F250-F305 AromaticContact CG-CD2 3.85Å; F250-F305 HydrophobicContact CG-CD2 3.85Å; F250-F305 HydrophobicContact CZ-CD2 4.11Å; F250-Y308 AromaticContact CE1-CD1 3.55Å; F250-Y308 HydrophobicContact CE1-CD1 3.55Å; F250-Y308 HydrophobicContact CE1-CE1 4.2Å; F250-Y308 HydrophobicContact CE1-CG 4.15Å; F250-Y308 AromaticContact CZ-CD1 3.31Å; F250-Y308 HydrophobicContact CZ-CD1 3.31Å; F250-Y308 AromaticContact CZ-CE1 3.65Å; F250-Y308 HydrophobicContact CZ-CE1 3.65Å; F250-Y308 HydrophobicContact CZ-CG 4.33Å
251M94.2Very high91.1Very high27 Ų2741.3 Ų41.313%0.13321%0.209CC..Hα-helixtrans-63.5-43.9174.1-70.3-58.8-61.300111.6P113 L114 H247 F249 N255 A301P113-M251 HydrophobicContact CG-CE 4.45Å; P113-M251 HydrophobicContact CG-SD 4.06Å; L114-M251 HydrophobicContact CD2-SD 3.99Å; H247-M251 WeakPolarHBondContact O-CB 3.39Å; H247-M251 VanDerWaalsContact O-CG 3.26Å; H247-M251 WeakPolarHBondContact O-CG 3.45Å; H247-M251 PolarHBondContact O-N 3.36Å; H247-M251 VanDerWaalsContact O-N 3.08Å; F249-M251 PolarHBondContact O-N 2.76Å; M251-N255 WeakPolarHBondContact O-CB 3.41Å; M251-N255 PolarHBondContact O-N 2.96Å; M251-N255 VanDerWaalsContact O-N 3.11Å; M251-N255 PolarHBondContact O-ND2 2.79Å; M251-A301 HydrophobicContact CE-CB 4.46Å; M251-A301 HydrophobicContact SD-CB 3.54Å; M251-A301 VanDerWaalsContact SD-CB 3.54Å
252R92.6Very high90.8Very high142 Ų14243.9 Ų43.954%0.53622%0.22SC..Hα-helixtrans-65.9-49.9177-76-177.8-64.4-179.24.8112Q248 F249 V254 N255 D256Q248-R252 WeakPolarHBondContact O-CB 3.44Å; Q248-R252 VanDerWaalsContact O-CG 3.25Å; Q248-R252 WeakPolarHBondContact O-CG 3.31Å; Q248-R252 PolarHBondContact O-N 2.87Å; Q248-R252 VanDerWaalsContact O-N 3.08Å; Q248-R252 PolarHBondContact O-NE 2.76Å; Q248-R252 VanDerWaalsContact O-NE 3.1Å; F249-R252 PolarHBondContact O-N 3.24Å; R252-V254 PolarHBondContact O-N 2.73Å; R252-V254 VanDerWaalsContact O-N 3.15Å; R252-N255 PolarHBondContact O-N 3.14Å; R252-N255 VanDerWaalsContact O-N 3.1Å; R252-D256 WeakPolarHBondContact O-CB 3.27Å; R252-D256 PolarHBondContact O-N 3.05Å
253L88.8Confident90.5Very high28 Ų2851.9 Ų51.915%0.14725%0.25CC..Hα-helixtrans-47-48.7176.8175.274.8000112I194 F206 F249 F250 T257 V304I194-L253 HydrophobicContact CD1-CD1 3.66Å; F206-L253 HydrophobicContact CD2-CD2 4.4Å; F206-L253 HydrophobicContact CE2-CD1 4.2Å; F206-L253 HydrophobicContact CE2-CD2 3.57Å; F206-L253 HydrophobicContact CZ-CD2 4.41Å; F249-L253 WeakPolarHBondContact O-CB 3.48Å; F249-L253 PolarHBondContact O-N 3.43Å; F250-L253 HydrophobicContact CD1-CD2 4.07Å; F250-L253 HydrophobicContact CE1-CD2 4.41Å; L253-T257 VanDerWaalsContact O-CB 3.28Å; L253-T257 WeakPolarHBondContact O-CB 3.31Å; L253-T257 PolarHBondContact O-N 2.79Å; L253-T257 PolarHBondContact O-OG1 3.03Å; L253-V304 HydrophobicContact CD2-CG1 4.34Å
254V89.9Confident90.3Very high0 Ų056 Ų560%027%0.268CS..Hα-helixtrans-69.4-46-177169.80000111.3F250 R252 T257 I258 M272 I297 L300 A301 V304F250-V254 WeakPolarHBondContact O-CB 3.26Å; F250-V254 WeakPolarHBondContact O-CG2 3.43Å; F250-V254 PolarHBondContact O-N 3.15Å; F250-V254 VanDerWaalsContact O-N 3.14Å; R252-V254 PolarHBondContact O-N 2.73Å; R252-V254 VanDerWaalsContact O-N 3.15Å; V254-T257 PolarHBondContact O-N 2.78Å; V254-I258 HydrophobicContact CG1-CD1 3.86Å; V254-I258 WeakPolarHBondContact O-CB 3.48Å; V254-I258 VanDerWaalsContact O-CG1 3.3Å; V254-I258 WeakPolarHBondContact O-CG1 3.37Å; V254-I258 PolarHBondContact O-N 3.25Å; V254-M272 HydrophobicContact CG1-CE 4.49Å; V254-M272 HydrophobicContact CG2-CE 4.29Å; V254-I297 HydrophobicContact CG1-CD1 3.8Å; V254-L300 HydrophobicContact CG1-CD2 3.26Å; V254-A301 HydrophobicContact CB-CB 4.11Å; V254-A301 HydrophobicContact CG1-CB 4.06Å; V254-A301 HydrophobicContact CG2-CB 3.91Å; V254-V304 HydrophobicContact CG2-CB 3.88Å; V254-V304 HydrophobicContact CG2-CG1 3.74Å; V254-V304 HydrophobicContact CG2-CG2 4.06Å
255N90.8Very high89.9Confident71 Ų7159.9 Ų59.938%0.3829%0.291SS..Hα-helixtrans-60.4-47.4176.7-78.7-48.2000111.8M251 R252 T257 I258 A259 I297M251-N255 WeakPolarHBondContact O-CB 3.41Å; M251-N255 PolarHBondContact O-N 2.96Å; M251-N255 VanDerWaalsContact O-N 3.11Å; M251-N255 PolarHBondContact O-ND2 2.79Å; R252-N255 PolarHBondContact O-N 3.14Å; R252-N255 VanDerWaalsContact O-N 3.1Å; N255-T257 VanDerWaalsContact C-N 3.34Å; N255-T257 PolarHBondContact O-N 3.43Å; N255-I258 PolarHBondContact O-N 2.87Å; N255-A259 VanDerWaalsContact O-CB 3.31Å; N255-A259 WeakPolarHBondContact O-CB 3.42Å; N255-A259 PolarHBondContact O-N 3.12Å; N255-I297 WeakPolarHBondContact OD1-CD1 3.45Å; N255-I297 VanDerWaalsContact OD1-CG1 3.31Å; N255-I297 WeakPolarHBondContact OD1-CG1 3.46Å
256D89.8Confident89.4Confident106 Ų10660.4 Ų60.457%0.56729%0.29SS*.Hα-helixtrans-64.8-40.9-178.6-64.6-18.6000111R252 A259 L260R252-D256 WeakPolarHBondContact O-CB 3.27Å; R252-D256 PolarHBondContact O-N 3.05Å; D256-A259 PolarHBondContact O-N 2.71Å; D256-L260 VanDerWaalsContact O-CB 3.26Å; D256-L260 WeakPolarHBondContact O-CB 3.4Å; D256-L260 PolarHBondContact O-N 3.12Å
257T87.5Confident88.7Confident16 Ų1667.2 Ų67.210%0.09832%0.319CS..Hα-helixtrans-65.2-44.3176.7-57.60000111.1L253 V254 N255 L260 R261 M272L253-T257 VanDerWaalsContact O-CB 3.28Å; L253-T257 WeakPolarHBondContact O-CB 3.31Å; L253-T257 PolarHBondContact O-N 2.79Å; L253-T257 PolarHBondContact O-OG1 3.03Å; V254-T257 PolarHBondContact O-N 2.78Å; N255-T257 VanDerWaalsContact C-N 3.34Å; N255-T257 PolarHBondContact O-N 3.43Å; T257-L260 PolarHBondContact O-N 2.87Å; T257-R261 HydrophobicContact CG2-CG 4.43Å; T257-R261 WeakPolarHBondContact O-CG 3.08Å; T257-R261 PolarHBondContact O-N 2.88Å; T257-M272 HydrophobicContact CG2-CE 3.6Å; T257-M272 HydrophobicContact CG2-CG 3.87Å
258I86.2Confident87.9Confident8 Ų871.6 Ų71.64%0.04134%0.335CS..Hα-helixtrans-63.9-48.3177.5-71.3169.3000110.4V254 N255 L260 R261 E262 I276 I297 L300V254-I258 HydrophobicContact CG1-CD1 3.86Å; V254-I258 WeakPolarHBondContact O-CB 3.48Å; V254-I258 VanDerWaalsContact O-CG1 3.3Å; V254-I258 WeakPolarHBondContact O-CG1 3.37Å; V254-I258 PolarHBondContact O-N 3.25Å; N255-I258 PolarHBondContact O-N 2.87Å; I258-L260 VanDerWaalsContact C-N 3.28Å; I258-L260 PolarHBondContact O-N 2.64Å; I258-R261 PolarHBondContact O-N 3.26Å; I258-R261 VanDerWaalsContact O-N 3.16Å; I258-E262 HydrophobicContact CG2-CG 4.18Å; I258-E262 WeakPolarHBondContact CG2-OE1 3.25Å; I258-E262 WeakPolarHBondContact O-CB 3.47Å; I258-E262 WeakPolarHBondContact O-CG 3.4Å; I258-E262 PolarHBondContact O-N 3.2Å; I258-I276 HydrophobicContact CG1-CD1 4.26Å; I258-I276 HydrophobicContact CG1-CG1 4.05Å; I258-I297 HydrophobicContact CD1-CD1 3.39Å; I258-L300 HydrophobicContact CD1-CD1 3.99Å; I258-L300 HydrophobicContact CD1-CD2 3.94Å
259A88.5Confident86.9Confident54 Ų5473.7 Ų73.745%0.44635%0.349SS..Hα-helixtrans-58.8-40.4178.800000111.8N255 D256 R263N255-A259 VanDerWaalsContact O-CB 3.31Å; N255-A259 WeakPolarHBondContact O-CB 3.42Å; N255-A259 PolarHBondContact O-N 3.12Å; D256-A259 PolarHBondContact O-N 2.71Å; A259-R263 WeakPolarHBondContact O-CB 3.44Å; A259-R263 PolarHBondContact O-N 2.87Å
260L87.1Confident86.4Confident70 Ų7072.9 Ų72.937%0.36635%0.346SS..Hα-helixtrans-63.5-47.8175.1179.867.5000111.9D256 T257 I258 E262 R263 E264 F266D256-L260 VanDerWaalsContact O-CB 3.26Å; D256-L260 WeakPolarHBondContact O-CB 3.4Å; D256-L260 PolarHBondContact O-N 3.12Å; T257-L260 PolarHBondContact O-N 2.87Å; I258-L260 VanDerWaalsContact C-N 3.28Å; I258-L260 PolarHBondContact O-N 2.64Å; L260-E262 VanDerWaalsContact C-N 3.34Å; L260-E262 PolarHBondContact O-N 3.08Å; L260-R263 PolarHBondContact O-N 2.77Å; L260-E264 HydrophobicContact CD1-CG 3.7Å; L260-E264 HydrophobicContact CG-CG 4.41Å; L260-E264 WeakPolarHBondContact O-CB 3.41Å; L260-E264 WeakPolarHBondContact O-CG 3.5Å; L260-E264 PolarHBondContact O-N 2.86Å; L260-F266 HydrophobicContact CD2-CZ 4.46Å; L260-F266 HydrophobicContact CG-CE1 4.25Å; L260-F266 HydrophobicContact CG-CZ 4.47Å
261R86.4Confident85.9Confident19 Ų1973.3 Ų73.37%0.07235%0.348CS..Hα-helixtrans-64.5-39.5-179.8-64.8-69.8178.61106.9111.8F192 T257 I258 N265 F266 R268 D270 I276F192-R261 PolarHBondContact O-NH2 3.45Å; T257-R261 HydrophobicContact CG2-CG 4.43Å; T257-R261 WeakPolarHBondContact O-CG 3.08Å; T257-R261 PolarHBondContact O-N 2.88Å; I258-R261 PolarHBondContact O-N 3.26Å; I258-R261 VanDerWaalsContact O-N 3.16Å; R261-N265 WeakPolarHBondContact O-CA 3.35Å; R261-N265 PolarHBondContact O-N 3.24Å; R261-F266 VanDerWaalsContact CD-CE2 3.41Å; R261-F266 VanDerWaalsContact CD-CZ 3.47Å; R261-R268 VanDerWaalsContact NH1-CB 3.31Å; R261-D270 IonicContact CZ-OD2 2.75Å; R261-D270 IonicContact NH1-OD1 3.54Å; R261-D270 IonicContact NH1-OD2 3.98Å; R261-D270 PolarHBondContact NH1-OD2 2.88Å; R261-D270 IonicContact NH2-OD1 2.91Å; R261-D270 IonicContact NH2-OD2 3.53Å; R261-D270 PolarHBondContact NH2-OD2 3.32Å; R261-I276 HydrophobicContact CB-CD1 4.1Å; R261-I276 HydrophobicContact CG-CD1 3.97Å
262E85.1Confident85.5Confident99 Ų9972 Ų7246%0.46334%0.342SS..Hα-helixtrans-69.6-41.4177.2-71.6178.5172.100111.4I258 L260 K279I258-E262 HydrophobicContact CG2-CG 4.18Å; I258-E262 WeakPolarHBondContact CG2-OE1 3.25Å; I258-E262 WeakPolarHBondContact O-CB 3.47Å; I258-E262 WeakPolarHBondContact O-CG 3.4Å; I258-E262 PolarHBondContact O-N 3.2Å; L260-E262 VanDerWaalsContact C-N 3.34Å; L260-E262 PolarHBondContact O-N 3.08Å; E262-K279 IonicContact OE1-NZ 2.73Å
263R88Confident85.1Confident181 Ų18166 Ų6668%0.68332%0.32SS*.Hα-helixtrans-67.5-47.6178.9-174.3-176.576.1-157.12.3113A259 L260 N265A259-R263 WeakPolarHBondContact O-CB 3.44Å; A259-R263 PolarHBondContact O-N 2.87Å; L260-R263 PolarHBondContact O-N 2.77Å; R263-N265 VanDerWaalsContact C-N 3.35Å
264E88.4Confident84.7Confident102 Ų10266.5 Ų66.548%0.47732%0.323SS..Hα-helixtrans-88.8-5.1-174.6-58.1-62.6152.200112.6L260 F266L260-E264 HydrophobicContact CD1-CG 3.7Å; L260-E264 HydrophobicContact CG-CG 4.41Å; L260-E264 WeakPolarHBondContact O-CB 3.41Å; L260-E264 WeakPolarHBondContact O-CG 3.5Å; L260-E264 PolarHBondContact O-N 2.86Å; E264-F266 VanDerWaalsContact C-N 3.27Å; E264-F266 HydrophobicContact CB-CD1 3.43Å; E264-F266 VanDerWaalsContact CB-CD1 3.43Å; E264-F266 HydrophobicContact CB-CE1 3.65Å; E264-F266 HydrophobicContact CG-CD1 4.39Å; E264-F266 HydrophobicContact CG-CE1 4.16Å; E264-F266 PolarHBondContact O-N 3.39Å; E264-F266 VanDerWaalsContact O-N 3.17Å
265N83.8Confident84.4Confident146 Ų14666.5 Ų66.578%0.78132%0.323SS*.THydrogen-bonded Turntrans4744.1178.7-16733.8000114.4R261 R263R261-N265 WeakPolarHBondContact O-CA 3.35Å; R261-N265 PolarHBondContact O-N 3.24Å; R263-N265 VanDerWaalsContact C-N 3.35Å
266F84.1Confident84Confident77 Ų7763.5 Ų63.534%0.33831%0.307SS..  trans-115147.3173.774.2-87000111.7L260 R261 E264 R268L260-F266 HydrophobicContact CD2-CZ 4.46Å; L260-F266 HydrophobicContact CG-CE1 4.25Å; L260-F266 HydrophobicContact CG-CZ 4.47Å; R261-F266 VanDerWaalsContact CD-CE2 3.41Å; R261-F266 VanDerWaalsContact CD-CZ 3.47Å; E264-F266 VanDerWaalsContact C-N 3.27Å; E264-F266 HydrophobicContact CB-CD1 3.43Å; E264-F266 VanDerWaalsContact CB-CD1 3.43Å; E264-F266 HydrophobicContact CB-CE1 3.65Å; E264-F266 HydrophobicContact CG-CD1 4.39Å; E264-F266 HydrophobicContact CG-CE1 4.16Å; E264-F266 PolarHBondContact O-N 3.39Å; E264-F266 VanDerWaalsContact O-N 3.17Å; F266-R268 HydrophobicContact CD2-CG 4.01Å; F266-R268 HydrophobicContact CE2-CG 3.88Å
267K79.1Confident83.7Confident142 Ų14260.9 Ų60.962%0.61729%0.291SS*.  trans-108.4142.6173.6-63.2-171.2176.8-167.20109.6N273 E277K267-N273 WeakPolarHBondContact CB-OD1 3.44Å; K267-N273 WeakPolarHBondContact CG-OD1 3.29Å; K267-E277 IonicContact NZ-OE1 3.1Å
268R76.9Confident83.3Confident106 Ų10660.9 Ų60.940%0.429%0.291SS..  trans-119149.2164-61-178.473133.7-3.2107.5R261 F266 D270 N273R261-R268 VanDerWaalsContact NH1-CB 3.31Å; F266-R268 HydrophobicContact CD2-CG 4.01Å; F266-R268 HydrophobicContact CE2-CG 3.88Å; R268-D270 VanDerWaalsContact CB-OD2 3.32Å; R268-D270 WeakPolarHBondContact CB-OD2 3.42Å; R268-D270 PolarHBondContact O-N 3.04Å; R268-N273 WeakPolarHBondContact O-CB 3.4Å; R268-N273 VanDerWaalsContact O-CG 3.24Å
269N73.1Confident83Confident122 Ų12263.9 Ų63.965%0.65230%0.303SS*.SBendtrans-82.558.5178.6-67.2-40.9000110.9F144F144-N269 HydrophobicContact CE1-CB 3.39Å; F144-N269 HydrophobicContact CZ-CB 3.48Å; F144-N269 VanDerWaalsContact CZ-CB 3.48Å
270D82Confident82.5Confident14 Ų1466.9 Ų66.98%0.07531%0.308CS..SBendtrans-116.2170.6-179.756.628.1000111.8G193 R261 R268 M272 N273 L274G193-D270 WeakPolarHBondContact CA-OD2 3.41Å; G193-D270 PolarHBondContact N-OD2 3.47Å; R261-D270 IonicContact CZ-OD2 2.75Å; R261-D270 IonicContact NH1-OD1 3.54Å; R261-D270 IonicContact NH1-OD2 3.98Å; R261-D270 PolarHBondContact NH1-OD2 2.88Å; R261-D270 IonicContact NH2-OD1 2.91Å; R261-D270 IonicContact NH2-OD2 3.53Å; R261-D270 PolarHBondContact NH2-OD2 3.32Å; R268-D270 VanDerWaalsContact CB-OD2 3.32Å; R268-D270 WeakPolarHBondContact CB-OD2 3.42Å; R268-D270 PolarHBondContact O-N 3.04Å; D270-M272 PolarHBondContact O-N 3.3Å; D270-M272 PolarHBondContact OD1-N 3.31Å; D270-N273 PolarHBondContact O-N 3.2Å; D270-N273 VanDerWaalsContact OD1-CB 3.32Å; D270-N273 WeakPolarHBondContact OD1-CB 3.34Å; D270-N273 PolarHBondContact OD1-N 3.33Å; D270-L274 PolarHBondContact O-N 3.47Å
271F82.1Confident81.7Confident9 Ų970 Ų704%0.03932%0.318CS..Hα-helixtrans-61.9-34.7177.1176-118.7000111.9L133 T136 A191 F192 N273 L274 L275 Q303 F307L133-F271 HydrophobicContact CD2-CE2 3.64Å; L133-F271 HydrophobicContact CD2-CZ 3.69Å; T136-F271 HydrophobicContact CG2-CB 4.4Å; T136-F271 HydrophobicContact CG2-CD2 3.49Å; T136-F271 VanDerWaalsContact CG2-CD2 3.49Å; T136-F271 HydrophobicContact CG2-CE2 4.18Å; T136-F271 HydrophobicContact CG2-CG 4.34Å; A191-F271 HydrophobicContact CB-CB 4.08Å; A191-F271 HydrophobicContact CB-CD1 4.3Å; A191-F271 CarbonylContact O-C 3.01Å; A191-F271 WeakPolarHBondContact O-CA 3.43Å; A191-F271 VanDerWaalsContact O-CB 3.27Å; A191-F271 WeakPolarHBondContact O-CB 3.45Å; A191-F271 PolarHBondContact O-N 3.23Å; A191-F271 VanDerWaalsContact O-N 3.09Å; F192-F271 HydrophobicContact CE1-CD1 4.37Å; F271-N273 PolarHBondContact O-N 2.96Å; F271-L274 HydrophobicContact CD2-CD2 4.07Å; F271-L274 HydrophobicContact CE2-CD2 4.13Å; F271-L274 WeakPolarHBondContact O-CB 3.45Å; F271-L274 PolarHBondContact O-N 2.92Å; F271-L275 HydrophobicContact CD1-CD1 3.99Å; F271-L275 HydrophobicContact CD1-CG 4.37Å; F271-L275 HydrophobicContact CD2-CG 4.44Å; F271-L275 HydrophobicContact CE1-CD1 3.54Å; F271-L275 HydrophobicContact CE1-CD2 4.24Å; F271-L275 HydrophobicContact CE1-CG 4.03Å; F271-L275 HydrophobicContact CE2-CD2 3.88Å; F271-L275 HydrophobicContact CE2-CG 4.12Å; F271-L275 HydrophobicContact CZ-CD1 3.84Å; F271-L275 HydrophobicContact CZ-CD2 3.64Å; F271-L275 HydrophobicContact CZ-CG 3.89Å; F271-L275 WeakPolarHBondContact O-CG 3.28Å; F271-L275 PolarHBondContact O-N 2.98Å; F271-Q303 HydrophobicContact CZ-CB 4.37Å; F271-F307 HydrophobicContact CD1-CD2 4.37Å; F271-F307 HydrophobicContact CE1-CB 4.09Å; F271-F307 AromaticContact CE1-CD2 3.27Å; F271-F307 HydrophobicContact CE1-CD2 3.27Å; F271-F307 AromaticContact CE1-CE2 3.93Å; F271-F307 HydrophobicContact CE1-CE2 3.93Å; F271-F307 AromaticContact CE1-CG 3.87Å; F271-F307 HydrophobicContact CE1-CG 3.87Å; F271-F307 HydrophobicContact CE2-CD2 4.3Å; F271-F307 HydrophobicContact CE2-CE2 4.18Å; F271-F307 AromaticContact CZ-CD2 3.22Å; F271-F307 HydrophobicContact CZ-CD2 3.22Å; F271-F307 AromaticContact CZ-CE2 3.34Å; F271-F307 HydrophobicContact CZ-CE2 3.34Å; F271-F307 HydrophobicContact CZ-CG 4.09Å; F271-F307 HydrophobicContact CZ-CZ 4.27Å
272M85.1Confident80.8Confident1 Ų170.9 Ų70.91%0.00533%0.334CS..Hα-helixtrans-59-43.9175.7-172.161.6117.900112.4A191 V254 T257 D270 L274 L275 I276 L300 V304A191-M272 PolarHBondContact O-N 3.03Å; V254-M272 HydrophobicContact CG1-CE 4.49Å; V254-M272 HydrophobicContact CG2-CE 4.29Å; T257-M272 HydrophobicContact CG2-CE 3.6Å; T257-M272 HydrophobicContact CG2-CG 3.87Å; D270-M272 PolarHBondContact O-N 3.3Å; D270-M272 PolarHBondContact OD1-N 3.31Å; M272-L274 VanDerWaalsContact C-N 3.32Å; M272-L274 PolarHBondContact O-N 3.23Å; M272-L275 WeakPolarHBondContact O-CB 3.41Å; M272-L275 PolarHBondContact O-N 2.99Å; M272-L275 VanDerWaalsContact O-N 3.12Å; M272-I276 HydrophobicContact CG-CD1 4.04Å; M272-I276 WeakPolarHBondContact O-CG1 3.37Å; M272-I276 PolarHBondContact O-N 2.91Å; M272-L300 HydrophobicContact SD-CD2 4.02Å; M272-V304 HydrophobicContact CE-CG2 4.08Å; M272-V304 HydrophobicContact SD-CG2 3.9Å
273N84.9Confident79.9Confident15 Ų1574.1 Ų74.18%0.0834%0.342CS..Hα-helixtrans-63.2-38.9177.2-173.788.7000112K267 R268 D270 F271 L275 I276 E277K267-N273 WeakPolarHBondContact CB-OD1 3.44Å; K267-N273 WeakPolarHBondContact CG-OD1 3.29Å; R268-N273 WeakPolarHBondContact O-CB 3.4Å; R268-N273 VanDerWaalsContact O-CG 3.24Å; D270-N273 PolarHBondContact O-N 3.2Å; D270-N273 VanDerWaalsContact OD1-CB 3.32Å; D270-N273 WeakPolarHBondContact OD1-CB 3.34Å; D270-N273 PolarHBondContact OD1-N 3.33Å; F271-N273 PolarHBondContact O-N 2.96Å; N273-L275 VanDerWaalsContact C-N 3.32Å; N273-L275 PolarHBondContact O-N 3.42Å; N273-I276 PolarHBondContact O-N 3.47Å; N273-E277 PolarHBondContact ND2-OE1 2.86Å; N273-E277 WeakPolarHBondContact O-CG 3.47Å; N273-E277 PolarHBondContact O-N 2.89Å
274L79.4Confident79Confident39 Ų3967.1 Ų67.120%0.20432%0.319CS..Hα-helixtrans-59.5-45.7172.3-178100000110.9T136 D270 F271 M272 I276 E277 L278T136-L274 HydrophobicContact CG2-CD2 4.47Å; T136-L274 WeakPolarHBondContact OG1-CD2 3.45Å; D270-L274 PolarHBondContact O-N 3.47Å; F271-L274 HydrophobicContact CD2-CD2 4.07Å; F271-L274 HydrophobicContact CE2-CD2 4.13Å; F271-L274 WeakPolarHBondContact O-CB 3.45Å; F271-L274 PolarHBondContact O-N 2.92Å; M272-L274 VanDerWaalsContact C-N 3.32Å; M272-L274 PolarHBondContact O-N 3.23Å; L274-I276 VanDerWaalsContact C-N 3.33Å; L274-I276 PolarHBondContact O-N 2.88Å; L274-E277 PolarHBondContact O-N 3.24Å; L274-L278 HydrophobicContact CD2-CD1 4.22Å; L274-L278 HydrophobicContact CG-CD1 4.32Å; L274-L278 VanDerWaalsContact O-CG 3.31Å; L274-L278 WeakPolarHBondContact O-CG 3.48Å; L274-L278 PolarHBondContact O-N 3.35Å
275L84Confident78.1Confident0 Ų066.9 Ų66.90%033%0.325CS..Hα-helixtrans-64-38.7178.6-63.4179.6000112.2L133 F271 M272 N273 L278 K279 M295 L300 Q303 V304L133-L275 HydrophobicContact CD2-CD2 3.89Å; F271-L275 HydrophobicContact CD1-CD1 3.99Å; F271-L275 HydrophobicContact CD1-CG 4.37Å; F271-L275 HydrophobicContact CD2-CG 4.44Å; F271-L275 HydrophobicContact CE1-CD1 3.54Å; F271-L275 HydrophobicContact CE1-CD2 4.24Å; F271-L275 HydrophobicContact CE1-CG 4.03Å; F271-L275 HydrophobicContact CE2-CD2 3.88Å; F271-L275 HydrophobicContact CE2-CG 4.12Å; F271-L275 HydrophobicContact CZ-CD1 3.84Å; F271-L275 HydrophobicContact CZ-CD2 3.64Å; F271-L275 HydrophobicContact CZ-CG 3.89Å; F271-L275 WeakPolarHBondContact O-CG 3.28Å; F271-L275 PolarHBondContact O-N 2.98Å; M272-L275 WeakPolarHBondContact O-CB 3.41Å; M272-L275 PolarHBondContact O-N 2.99Å; M272-L275 VanDerWaalsContact O-N 3.12Å; N273-L275 VanDerWaalsContact C-N 3.32Å; N273-L275 PolarHBondContact O-N 3.42Å; L275-L278 HydrophobicContact CD2-CD1 4.47Å; L275-L278 PolarHBondContact O-N 2.98Å; L275-K279 PolarHBondContact O-N 3.44Å; L275-M295 HydrophobicContact CB-CE 4.01Å; L275-M295 HydrophobicContact CD2-CE 3.47Å; L275-M295 VanDerWaalsContact CD2-CE 3.47Å; L275-M295 HydrophobicContact CD2-SD 4.27Å; L275-M295 HydrophobicContact CG-CE 4.33Å; L275-L300 HydrophobicContact CB-CD1 3.7Å; L275-L300 HydrophobicContact CB-CD2 4.43Å; L275-L300 HydrophobicContact CB-CG 3.77Å; L275-L300 HydrophobicContact CD1-CD2 4.3Å; L275-L300 HydrophobicContact CD1-CG 4.09Å; L275-Q303 HydrophobicContact CD1-CB 4.26Å; L275-Q303 HydrophobicContact CD2-CB 4.28Å; L275-V304 HydrophobicContact CD1-CG2 3.56Å
276I83.6Confident77.2Confident8 Ų861.5 Ų61.54%0.04130%0.296CS..Hα-helixtrans-62.1-44.7173.9-69.2167.5000110.5I258 R261 M272 N273 L274 L278 K279 Q280I258-I276 HydrophobicContact CG1-CD1 4.26Å; I258-I276 HydrophobicContact CG1-CG1 4.05Å; R261-I276 HydrophobicContact CB-CD1 4.1Å; R261-I276 HydrophobicContact CG-CD1 3.97Å; M272-I276 HydrophobicContact CG-CD1 4.04Å; M272-I276 WeakPolarHBondContact O-CG1 3.37Å; M272-I276 PolarHBondContact O-N 2.91Å; N273-I276 PolarHBondContact O-N 3.47Å; L274-I276 VanDerWaalsContact C-N 3.33Å; L274-I276 PolarHBondContact O-N 2.88Å; I276-L278 VanDerWaalsContact C-N 3.33Å; I276-L278 PolarHBondContact O-N 3.33Å; I276-K279 WeakPolarHBondContact O-CB 3.33Å; I276-K279 PolarHBondContact O-N 3.46Å; I276-K279 VanDerWaalsContact O-N 3.15Å; I276-Q280 HydrophobicContact CG2-CG 4.33Å; I276-Q280 WeakPolarHBondContact O-CG 3.46Å; I276-Q280 PolarHBondContact O-N 2.82Å
277E81.8Confident76.4Confident50 Ų5066.6 Ų66.623%0.23433%0.326CS..Hα-helixtrans-63.9-38.5176.8-74.2-178.3-174.700112.1K267 N273 L274 K279 Q280 K281K267-E277 IonicContact NZ-OE1 3.1Å; N273-E277 PolarHBondContact ND2-OE1 2.86Å; N273-E277 WeakPolarHBondContact O-CG 3.47Å; N273-E277 PolarHBondContact O-N 2.89Å; L274-E277 PolarHBondContact O-N 3.24Å; E277-K279 VanDerWaalsContact C-N 3.32Å; E277-Q280 PolarHBondContact O-N 3.23Å; E277-K281 WeakPolarHBondContact O-CB 3.45Å; E277-K281 WeakPolarHBondContact O-CG 3.28Å; E277-K281 PolarHBondContact O-N 3.37Å
278L79.5Confident76.1Confident17 Ų1764.2 Ų64.29%0.08932%0.32CS..Hα-helixtrans-65.5-34173.7-71.5174.8000112.1R132 L274 L275 I276 V284 G294 M295R132-L278 HydrophobicContact CB-CD1 4.21Å; L274-L278 HydrophobicContact CD2-CD1 4.22Å; L274-L278 HydrophobicContact CG-CD1 4.32Å; L274-L278 VanDerWaalsContact O-CG 3.31Å; L274-L278 WeakPolarHBondContact O-CG 3.48Å; L274-L278 PolarHBondContact O-N 3.35Å; L275-L278 HydrophobicContact CD2-CD1 4.47Å; L275-L278 PolarHBondContact O-N 2.98Å; I276-L278 VanDerWaalsContact C-N 3.33Å; I276-L278 PolarHBondContact O-N 3.33Å; L278-V284 HydrophobicContact CD2-CG2 3.77Å; L278-G294 WeakPolarHBondContact O-CA 3.38Å; L278-M295 HydrophobicContact CB-CE 3.51Å; L278-M295 HydrophobicContact CD1-CE 3.75Å; L278-M295 HydrophobicContact CG-CE 4.29Å
279K80.7Confident75.8Confident71 Ų7161.6 Ų61.631%0.30933%0.326SS..Hα-helixtrans-67.5-44.4171172.8178.1174.1-74.80111.5E262 L275 I276 E277 L300E262-K279 IonicContact OE1-NZ 2.73Å; L275-K279 PolarHBondContact O-N 3.44Å; I276-K279 WeakPolarHBondContact O-CB 3.33Å; I276-K279 PolarHBondContact O-N 3.46Å; I276-K279 VanDerWaalsContact O-N 3.15Å; E277-K279 VanDerWaalsContact C-N 3.32Å; K279-L300 HydrophobicContact CB-CD1 4.28Å; K279-L300 HydrophobicContact CD-CD1 4.4Å
280Q78Confident75.6Confident117 Ų11759.1 Ų59.155%0.54731%0.311SS..Hα-helixtrans-74.2-40.6-174.7-74.1175.9-12.100113.9I276 E277 G282I276-Q280 HydrophobicContact CG2-CG 4.33Å; I276-Q280 WeakPolarHBondContact O-CG 3.46Å; I276-Q280 PolarHBondContact O-N 2.82Å; E277-Q280 PolarHBondContact O-N 3.23Å; Q280-G282 PolarHBondContact O-N 3.14Å; Q280-G282 VanDerWaalsContact O-N 3.1Å
281K70Confident75.1Confident134 Ų13462.5 Ų62.558%0.58333%0.332SS*.SBendtrans-61.7-22.3-176.8-77.2175.6-179.8171.90112.3E277 R283 V284E277-K281 WeakPolarHBondContact O-CB 3.45Å; E277-K281 WeakPolarHBondContact O-CG 3.28Å; E277-K281 PolarHBondContact O-N 3.37Å; K281-R283 PolarHBondContact O-N 2.89Å; K281-V284 HydrophobicContact CB-CG2 4.21Å; K281-V284 HydrophobicContact CD-CG2 4.35Å
282G66.4Low74.5Confident38 Ų3862.2 Ų62.239%0.39233%0.331SS..SBendtrans67.4-35.417800000113.9Q280 E293 G294Q280-G282 PolarHBondContact O-N 3.14Å; Q280-G282 VanDerWaalsContact O-N 3.1Å; G282-E293 CarbonylContact O-C 3.52Å; G282-E293 WeakPolarHBondContact O-CA 3.43Å; G282-G294 PolarHBondContact O-N 3.14Å
283R67.3Low73.8Confident167 Ų16768.3 Ų68.363%0.6336%0.359SS*.EExtended strand (participates in β ladder)trans-143.2138.4171-70.8-177.5169.7158.6-1.3109.9K281 V291 I292K281-R283 PolarHBondContact O-N 2.89Å; R283-V291 HydrophobicContact CB-CG1 3.84Å; R283-V291 HydrophobicContact CG-CG1 4.08Å; R283-I292 CarbonylContact C-O 3.51Å; R283-I292 WeakPolarHBondContact CA-O 3.46Å
284V68.2Low73.3Confident34 Ų3468.4 Ų68.421%0.20636%0.364CS..EExtended strand (participates in β ladder)trans-122.5121175.2-1790000108L278 K281 I292L278-V284 HydrophobicContact CD2-CG2 3.77Å; K281-V284 HydrophobicContact CB-CG2 4.21Å; K281-V284 HydrophobicContact CD-CG2 4.35Å; V284-I292 PolarHBondContact N-O 2.95Å; V284-I292 PolarHBondContact O-N 3.47Å
285T70Confident73.4Confident97 Ų9766.9 Ų66.960%0.59536%0.356SS*.EExtended strand (participates in β ladder)trans-83121169.4-490000108.3V291T285-V291 HydrophobicContact CG2-CG2 4.38Å
286L66.3Low73.5Confident34 Ų3471.1 Ų71.118%0.17838%0.379CS..  trans-77.4164.8174.6-67.6-172.6000111.7Q131 N288 G289 E290 I292Q131-L286 HydrophobicContact CB-CD1 3.78Å; Q131-L286 HydrophobicContact CG-CD1 4.07Å; L286-N288 WeakPolarHBondContact CB-OD1 3.39Å; L286-N288 PolarHBondContact O-N 2.93Å; L286-N288 VanDerWaalsContact O-N 3.11Å; L286-G289 WeakPolarHBondContact O-CA 3.27Å; L286-G289 PolarHBondContact O-N 3.35Å; L286-E290 HydrophobicContact CD1-CB 4.33Å; L286-E290 PolarHBondContact N-O 2.9Å; L286-I292 HydrophobicContact CD1-CD1 3.33Å; L286-I292 HydrophobicContact CD1-CG1 4.23Å; L286-I292 HydrophobicContact CD2-CD1 4.09Å; L286-I292 HydrophobicContact CG-CD1 3.65Å; L286-I292 HydrophobicContact CG-CG1 4.23Å
287D67.3Low73.8Confident183 Ų18373.4 Ų73.498%0.97939%0.39SS*.THydrogen-bonded Turntrans-57.8-25.2176.1-61.6-25.3000113.3G289D287-G289 VanDerWaalsContact C-N 3.28Å
288N71.6Confident74.2Confident92 Ų9271.3 Ų71.349%0.49238%0.382SS..THydrogen-bonded Turntrans-865.9175.870.1-7.1000113.7L286 E290L286-N288 WeakPolarHBondContact CB-OD1 3.39Å; L286-N288 PolarHBondContact O-N 2.93Å; L286-N288 VanDerWaalsContact O-N 3.11Å; N288-E290 VanDerWaalsContact C-N 3.31Å; N288-E290 PolarHBondContact ND2-OE2 3.46Å; N288-E290 PolarHBondContact O-N 3.46Å; N288-E290 WeakPolarHBondContact OD1-CB 3.4Å; N288-E290 PolarHBondContact OD1-N 2.76Å
289G70.3Confident74.8Confident51 Ų5171.7 Ų71.753%0.52638%0.383SS..SBendtrans81.6-4.4-178.200000115.3L286 D287 V291L286-G289 WeakPolarHBondContact O-CA 3.27Å; L286-G289 PolarHBondContact O-N 3.35Å; D287-G289 VanDerWaalsContact C-N 3.28Å; G289-V291 PolarHBondContact O-N 2.89Å
290E70.3Confident75.3Confident71 Ų7168.3 Ų68.333%0.33237%0.368SS..  trans-68.8126.6176.8-71.8178.1145.900110.3K127 Q131 L286 N288K127-E290 IonicContact NZ-OE1 3.78Å; K127-E290 PolarHBondContact NZ-OE1 3.48Å; K127-E290 IonicContact NZ-OE2 2.74Å; Q131-E290 PolarHBondContact NE2-OE2 3.01Å; Q131-E290 VanDerWaalsContact NE2-OE2 3.08Å; L286-E290 HydrophobicContact CD1-CB 4.33Å; L286-E290 PolarHBondContact N-O 2.9Å; N288-E290 VanDerWaalsContact C-N 3.31Å; N288-E290 PolarHBondContact ND2-OE2 3.46Å; N288-E290 PolarHBondContact O-N 3.46Å; N288-E290 WeakPolarHBondContact OD1-CB 3.4Å; N288-E290 PolarHBondContact OD1-N 2.76Å
291V71.4Confident76Confident84 Ų8462.8 Ų62.851%0.50934%0.342SS..EExtended strand (participates in β ladder)trans-90.7123.4173.1-178.30000109.3R283 T285 G289R283-V291 HydrophobicContact CB-CG1 3.84Å; R283-V291 HydrophobicContact CG-CG1 4.08Å; T285-V291 HydrophobicContact CG2-CG2 4.38Å; G289-V291 PolarHBondContact O-N 2.89Å
292I68Low77.2Confident4 Ų456.4 Ų56.42%0.02132%0.315CS..EExtended strand (participates in β ladder)trans-117.2131.8-178.3-55.6-178.2000109.9D128 Q131 R132 R283 V284 L286D128-I292 HydrophobicContact CB-CD1 4.39Å; D128-I292 HydrophobicContact CB-CG2 4.11Å; Q131-I292 HydrophobicContact CB-CD1 4.4Å; R132-I292 HydrophobicContact CG-CG2 4.28Å; R132-I292 VanDerWaalsContact CZ-CG2 3.44Å; R283-I292 CarbonylContact C-O 3.51Å; R283-I292 WeakPolarHBondContact CA-O 3.46Å; V284-I292 PolarHBondContact N-O 2.95Å; V284-I292 PolarHBondContact O-N 3.47Å; L286-I292 HydrophobicContact CD1-CD1 3.33Å; L286-I292 HydrophobicContact CD1-CG1 4.23Å; L286-I292 HydrophobicContact CD2-CD1 4.09Å; L286-I292 HydrophobicContact CG-CD1 3.65Å; L286-I292 HydrophobicContact CG-CG1 4.23Å
293E70.9Confident78.5Confident128 Ų12854.6 Ų54.660%0.59830%0.296SS*.EExtended strand (participates in β ladder)trans-63.5159.6176.1-64.9-174157.700112.7R132 G282R132-E293 PolarHBondContact NE-O 3.14Å; R132-E293 PolarHBondContact NH1-O 3.35Å; R132-E293 PolarHBondContact NH2-O 2.98Å; G282-E293 CarbonylContact O-C 3.52Å; G282-E293 WeakPolarHBondContact O-CA 3.43Å
294G73.9Confident79.6Confident17 Ų1746.6 Ų46.618%0.17527%0.266CS..  trans-65.9-176.2176.700000112.7R132 L278 G282R132-G294 PolarHBondContact NH1-O 3.45Å; R132-G294 VanDerWaalsContact NH1-O 3.15Å; L278-G294 WeakPolarHBondContact O-CA 3.38Å; G282-G294 PolarHBondContact O-N 3.14Å
295M81.7Confident80.8Confident8 Ų845.2 Ų45.24%0.03926%0.257CS..  trans-103.7137.4174-69.7-179.9-5700110.7M129 L275 L278 E299 Q303M129-M295 HydrophobicContact CE-CG 4.33Å; M129-M295 HydrophobicContact CE-SD 3.95Å; M129-M295 HydrophobicContact SD-SD 4.03Å; L275-M295 HydrophobicContact CB-CE 4.01Å; L275-M295 HydrophobicContact CD2-CE 3.47Å; L275-M295 VanDerWaalsContact CD2-CE 3.47Å; L275-M295 HydrophobicContact CD2-SD 4.27Å; L275-M295 HydrophobicContact CG-CE 4.33Å; L278-M295 HydrophobicContact CB-CE 3.51Å; L278-M295 HydrophobicContact CD1-CE 3.75Å; L278-M295 HydrophobicContact CG-CE 4.29Å; M295-E299 HydrophobicContact CB-CB 4.14Å; M295-E299 HydrophobicContact CG-CB 4.32Å; M295-Q303 HydrophobicContact SD-CG 4.37Å
296D87.2Confident82Confident89 Ų8941.3 Ų41.348%0.47623%0.233SC..  trans-73.6171.6162.373.945.1000111.2G298 E299 L300D296-G298 VanDerWaalsContact C-N 3.29Å; D296-G298 PolarHBondContact O-N 2.93Å; D296-G298 VanDerWaalsContact OD1-CA 3.3Å; D296-G298 WeakPolarHBondContact OD1-CA 3.49Å; D296-G298 PolarHBondContact OD1-N 2.87Å; D296-E299 PolarHBondContact O-N 2.68Å; D296-E299 PolarHBondContact OD1-N 2.99Å; D296-L300 WeakPolarHBondContact O-CB 3.47Å; D296-L300 PolarHBondContact O-N 2.89Å
297I88.1Confident83.3Confident56 Ų5640.7 Ų40.729%0.28723%0.229SC..Hα-helixtrans-63.7-34-177.7-169.661.6000112.9V254 N255 I258 A301V254-I297 HydrophobicContact CG1-CD1 3.8Å; N255-I297 WeakPolarHBondContact OD1-CD1 3.45Å; N255-I297 VanDerWaalsContact OD1-CG1 3.31Å; N255-I297 WeakPolarHBondContact OD1-CG1 3.46Å; I258-I297 HydrophobicContact CD1-CD1 3.39Å; I297-A301 VanDerWaalsContact O-CB 3.28Å; I297-A301 WeakPolarHBondContact O-CB 3.47Å; I297-A301 PolarHBondContact O-N 2.92Å
298G92Very high84.4Confident5 Ų532 Ų325%0.05218%0.183CC..Hα-helixtrans-70.8-43.1179.100000111.5D296 L300 A301 A302D296-G298 VanDerWaalsContact C-N 3.29Å; D296-G298 PolarHBondContact O-N 2.93Å; D296-G298 VanDerWaalsContact OD1-CA 3.3Å; D296-G298 WeakPolarHBondContact OD1-CA 3.49Å; D296-G298 PolarHBondContact OD1-N 2.87Å; G298-L300 VanDerWaalsContact C-N 3.35Å; G298-A301 PolarHBondContact O-N 3.05Å; G298-A302 WeakPolarHBondContact O-CB 3.4Å; G298-A302 PolarHBondContact O-N 2.78Å
299E91Very high85.4Confident26 Ų2628.2 Ų28.212%0.12116%0.163CC..Hα-helixtrans-62.5-41.9174.3-70-171.1137.300112Q116 R132 M295 D296 A302 Q303Q116-E299 PolarHBondContact NE2-OE1 2.73Å; R132-E299 IonicContact NH1-OE2 3.69Å; M295-E299 HydrophobicContact CB-CB 4.14Å; M295-E299 HydrophobicContact CG-CB 4.32Å; D296-E299 PolarHBondContact O-N 2.68Å; D296-E299 PolarHBondContact OD1-N 2.99Å; E299-A302 PolarHBondContact O-N 2.95Å; E299-Q303 WeakPolarHBondContact O-CG 3.32Å; E299-Q303 PolarHBondContact O-N 2.73Å; E299-Q303 VanDerWaalsContact O-N 3.09Å; E299-Q303 PolarHBondContact O-NE2 2.7Å
300L90.6Very high86.5Confident0 Ų027.9 Ų27.90%016%0.155CC..Hα-helixtrans-63.1-48.8176.1-171.2152.7000110.7V254 I258 M272 L275 K279 D296 G298 A302 Q303 V304V254-L300 HydrophobicContact CG1-CD2 3.26Å; I258-L300 HydrophobicContact CD1-CD1 3.99Å; I258-L300 HydrophobicContact CD1-CD2 3.94Å; M272-L300 HydrophobicContact SD-CD2 4.02Å; L275-L300 HydrophobicContact CB-CD1 3.7Å; L275-L300 HydrophobicContact CB-CD2 4.43Å; L275-L300 HydrophobicContact CB-CG 3.77Å; L275-L300 HydrophobicContact CD1-CD2 4.3Å; L275-L300 HydrophobicContact CD1-CG 4.09Å; K279-L300 HydrophobicContact CB-CD1 4.28Å; K279-L300 HydrophobicContact CD-CD1 4.4Å; D296-L300 WeakPolarHBondContact O-CB 3.47Å; D296-L300 PolarHBondContact O-N 2.89Å; G298-L300 VanDerWaalsContact C-N 3.35Å; L300-A302 VanDerWaalsContact C-N 3.29Å; L300-A302 PolarHBondContact O-N 3.16Å; L300-Q303 PolarHBondContact O-N 3.05Å; L300-Q303 VanDerWaalsContact O-N 3.12Å; L300-V304 HydrophobicContact CD2-CG2 4.06Å; L300-V304 PolarHBondContact O-N 3.25Å
301A92.9Very high87.6Confident0 Ų024.9 Ų24.90%014%0.144CC..Hα-helixtrans-61.7-38178.200000112.2L114 M251 V254 I297 G298 Q303 V304 F305L114-A301 HydrophobicContact CD2-CB 3.78Å; M251-A301 HydrophobicContact CE-CB 4.46Å; M251-A301 HydrophobicContact SD-CB 3.54Å; M251-A301 VanDerWaalsContact SD-CB 3.54Å; V254-A301 HydrophobicContact CB-CB 4.11Å; V254-A301 HydrophobicContact CG1-CB 4.06Å; V254-A301 HydrophobicContact CG2-CB 3.91Å; I297-A301 VanDerWaalsContact O-CB 3.28Å; I297-A301 WeakPolarHBondContact O-CB 3.47Å; I297-A301 PolarHBondContact O-N 2.92Å; G298-A301 PolarHBondContact O-N 3.05Å; A301-Q303 VanDerWaalsContact C-N 3.33Å; A301-Q303 PolarHBondContact O-N 2.94Å; A301-V304 PolarHBondContact O-N 2.94Å; A301-F305 WeakPolarHBondContact O-CB 3.2Å; A301-F305 PolarHBondContact O-N 3.05Å
302A95.3Very high88.5Confident0 Ų021 Ų210%012%0.12CC..Hα-helixtrans-61.9-39.2174.600000112.3P113 H117 G298 E299 L300 V306P113-A302 VanDerWaalsContact O-CB 3.25Å; P113-A302 WeakPolarHBondContact O-CB 3.3Å; H117-A302 HydrophobicContact CB-CB 4.03Å; H117-A302 VanDerWaalsContact CB-O 3.26Å; H117-A302 WeakPolarHBondContact CB-O 3.3Å; G298-A302 WeakPolarHBondContact O-CB 3.4Å; G298-A302 PolarHBondContact O-N 2.78Å; E299-A302 PolarHBondContact O-N 2.95Å; L300-A302 VanDerWaalsContact C-N 3.29Å; L300-A302 PolarHBondContact O-N 3.16Å; A302-V306 PolarHBondContact O-N 3.34Å
303Q94.1Very high89.6Confident0 Ų021.6 Ų21.60%012%0.122CC..Hα-helixtrans-69.4-46.9176.3-59.1-23.4-71.800110.9Q116 M129 L133 F271 L275 M295 E299 L300 A301 F305 V306 F307Q116-Q303 PolarHBondContact O-NE2 3.35Å; Q116-Q303 VanDerWaalsContact O-NE2 3.08Å; M129-Q303 HydrophobicContact CE-CG 4.32Å; M129-Q303 HydrophobicContact SD-CG 3.81Å; L133-Q303 HydrophobicContact CD1-CG 4.3Å; L133-Q303 HydrophobicContact CD2-CG 4.43Å; F271-Q303 HydrophobicContact CZ-CB 4.37Å; L275-Q303 HydrophobicContact CD1-CB 4.26Å; L275-Q303 HydrophobicContact CD2-CB 4.28Å; M295-Q303 HydrophobicContact SD-CG 4.37Å; E299-Q303 WeakPolarHBondContact O-CG 3.32Å; E299-Q303 PolarHBondContact O-N 2.73Å; E299-Q303 VanDerWaalsContact O-N 3.09Å; E299-Q303 PolarHBondContact O-NE2 2.7Å; L300-Q303 PolarHBondContact O-N 3.05Å; L300-Q303 VanDerWaalsContact O-N 3.12Å; A301-Q303 VanDerWaalsContact C-N 3.33Å; A301-Q303 PolarHBondContact O-N 2.94Å; Q303-F305 VanDerWaalsContact C-N 3.27Å; Q303-F305 PolarHBondContact O-N 3.14Å; Q303-V306 WeakPolarHBondContact O-CG1 3.49Å; Q303-V306 PolarHBondContact O-N 3.04Å; Q303-F307 HydrophobicContact CB-CD2 4.25Å; Q303-F307 HydrophobicContact CB-CE2 4.33Å; Q303-F307 WeakPolarHBondContact O-CB 3.38Å; Q303-F307 WeakPolarHBondContact O-CD2 3.46Å; Q303-F307 PolarHBondContact O-N 2.8Å
304V91.4Very high90.8Very high0 Ų017.6 Ų17.60%011%0.107CC..Hα-helixtrans-53-49.3174.8165.20000110.7F192 L253 V254 M272 L275 L300 A301 Y308F192-V304 HydrophobicContact CD1-CG1 3.95Å; F192-V304 HydrophobicContact CD1-CG2 4.34Å; F192-V304 HydrophobicContact CE1-CB 4.02Å; F192-V304 HydrophobicContact CE1-CG1 3.55Å; F192-V304 HydrophobicContact CE1-CG2 4.06Å; F192-V304 HydrophobicContact CZ-CG1 3.95Å; F192-V304 WeakPolarHBondContact CZ-O 3.21Å; L253-V304 HydrophobicContact CD2-CG1 4.34Å; V254-V304 HydrophobicContact CG2-CB 3.88Å; V254-V304 HydrophobicContact CG2-CG1 3.74Å; V254-V304 HydrophobicContact CG2-CG2 4.06Å; M272-V304 HydrophobicContact CE-CG2 4.08Å; M272-V304 HydrophobicContact SD-CG2 3.9Å; L275-V304 HydrophobicContact CD1-CG2 3.56Å; L300-V304 HydrophobicContact CD2-CG2 4.06Å; L300-V304 PolarHBondContact O-N 3.25Å; A301-V304 PolarHBondContact O-N 2.94Å; V304-Y308 WeakPolarHBondContact O-CB 3.34Å; V304-Y308 PolarHBondContact O-N 3.03Å
305F93Very high91.9Very high4 Ų417 Ų172%0.01810%0.1CC..Hα-helixtrans-56.1-54.1176.8168.6-104.8000112.5L114 H117 V213 M242 V246 F250 A301 Q303 F307 Y308 V309L114-F305 HydrophobicContact CB-CD1 4.21Å; L114-F305 HydrophobicContact CB-CG 4.38Å; L114-F305 HydrophobicContact CD1-CD2 4.27Å; L114-F305 HydrophobicContact CD1-CG 4.28Å; L114-F305 HydrophobicContact CD2-CB 4.1Å; H117-F305 AromaticContact CD2-CD1 3.85Å; H117-F305 AromaticContact CD2-CE1 3.92Å; V213-F305 HydrophobicContact CB-CZ 4.45Å; V213-F305 HydrophobicContact CG1-CE2 4.27Å; V213-F305 HydrophobicContact CG1-CZ 3.72Å; V213-F305 HydrophobicContact CG2-CE2 3.5Å; V213-F305 VanDerWaalsContact CG2-CE2 3.5Å; V213-F305 HydrophobicContact CG2-CZ 3.79Å; M242-F305 HydrophobicContact CE-CD1 4.33Å; M242-F305 HydrophobicContact CE-CE1 3.42Å; M242-F305 VanDerWaalsContact CE-CE1 3.42Å; M242-F305 HydrophobicContact CE-CE2 4.03Å; M242-F305 HydrophobicContact CE-CZ 3.23Å; M242-F305 HydrophobicContact SD-CE2 4.13Å; M242-F305 HydrophobicContact SD-CZ 3.8Å; V246-F305 HydrophobicContact CG1-CE2 4.03Å; F250-F305 HydrophobicContact CD1-CB 4.29Å; F250-F305 HydrophobicContact CD1-CD2 4.24Å; F250-F305 AromaticContact CD2-CD2 3.52Å; F250-F305 HydrophobicContact CD2-CD2 3.52Å; F250-F305 HydrophobicContact CD2-CE2 4.09Å; F250-F305 HydrophobicContact CE1-CD2 4.35Å; F250-F305 AromaticContact CE2-CD2 3.66Å; F250-F305 HydrophobicContact CE2-CD2 3.66Å; F250-F305 AromaticContact CE2-CE2 4Å; F250-F305 HydrophobicContact CE2-CE2 4Å; F250-F305 HydrophobicContact CG-CB 4.26Å; F250-F305 AromaticContact CG-CD2 3.85Å; F250-F305 HydrophobicContact CG-CD2 3.85Å; F250-F305 HydrophobicContact CZ-CD2 4.11Å; A301-F305 WeakPolarHBondContact O-CB 3.2Å; A301-F305 PolarHBondContact O-N 3.05Å; Q303-F305 VanDerWaalsContact C-N 3.27Å; Q303-F305 PolarHBondContact O-N 3.14Å; F305-F307 PolarHBondContact O-N 2.98Å; F305-Y308 WeakPolarHBondContact O-CB 3.25Å; F305-Y308 PolarHBondContact O-N 3.35Å; F305-V309 HydrophobicContact CD2-CG1 4.31Å; F305-V309 HydrophobicContact CE2-CG1 3.89Å; F305-V309 HydrophobicContact CZ-CG1 4.25Å; F305-V309 WeakPolarHBondContact O-CG2 3.32Å; F305-V309 PolarHBondContact O-N 3.18Å; F305-V309 VanDerWaalsContact O-N 3.09Å
306V94.4Very high92.6Very high16 Ų1616.7 Ų16.710%0.09710%0.098CC..Hα-helixtrans-67.3-38-174.779.90000112.5H117 F119 A302 Q303 Y308 V309 A310H117-V306 HydrophobicContact CB-CB 3.57Å; H117-V306 HydrophobicContact CB-CG1 3.72Å; H117-V306 HydrophobicContact CB-CG2 4.1Å; F119-V306 HydrophobicContact CB-CG2 4.18Å; A302-V306 PolarHBondContact O-N 3.34Å; Q303-V306 WeakPolarHBondContact O-CG1 3.49Å; Q303-V306 PolarHBondContact O-N 3.04Å; V306-Y308 VanDerWaalsContact C-N 3.33Å; V306-V309 WeakPolarHBondContact O-CG2 3.43Å; V306-A310 WeakPolarHBondContact O-CB 3.49Å; V306-A310 PolarHBondContact O-N 2.89Å
307F93Very high93Very high21 Ų2112.5 Ų12.59%0.0928%0.076CC..Hα-helixtrans-72.3-31.6179.8-78.5-66.7000112L118 L133 F137 F271 Q303 F305 G311 I452L118-F307 HydrophobicContact CD2-CZ 4.33Å; L133-F307 HydrophobicContact CD1-CE2 3.73Å; L133-F307 HydrophobicContact CD1-CZ 3.92Å; L133-F307 HydrophobicContact CD2-CE2 4.11Å; L133-F307 HydrophobicContact CG-CE2 4.44Å; F137-F307 HydrophobicContact CE1-CE1 4.22Å; F137-F307 HydrophobicContact CE2-CD1 4.38Å; F137-F307 AromaticContact CE2-CE1 3.53Å; F137-F307 HydrophobicContact CE2-CE1 3.53Å; F137-F307 AromaticContact CE2-CZ 3.67Å; F137-F307 HydrophobicContact CE2-CZ 3.67Å; F137-F307 AromaticContact CZ-CD1 3.66Å; F137-F307 HydrophobicContact CZ-CD1 3.66Å; F137-F307 AromaticContact CZ-CE1 3.2Å; F137-F307 HydrophobicContact CZ-CE1 3.2Å; F137-F307 AromaticContact CZ-CZ 3.81Å; F137-F307 HydrophobicContact CZ-CZ 3.81Å; F271-F307 HydrophobicContact CD1-CD2 4.37Å; F271-F307 HydrophobicContact CE1-CB 4.09Å; F271-F307 AromaticContact CE1-CD2 3.27Å; F271-F307 HydrophobicContact CE1-CD2 3.27Å; F271-F307 AromaticContact CE1-CE2 3.93Å; F271-F307 HydrophobicContact CE1-CE2 3.93Å; F271-F307 AromaticContact CE1-CG 3.87Å; F271-F307 HydrophobicContact CE1-CG 3.87Å; F271-F307 HydrophobicContact CE2-CD2 4.3Å; F271-F307 HydrophobicContact CE2-CE2 4.18Å; F271-F307 AromaticContact CZ-CD2 3.22Å; F271-F307 HydrophobicContact CZ-CD2 3.22Å; F271-F307 AromaticContact CZ-CE2 3.34Å; F271-F307 HydrophobicContact CZ-CE2 3.34Å; F271-F307 HydrophobicContact CZ-CG 4.09Å; F271-F307 HydrophobicContact CZ-CZ 4.27Å; Q303-F307 HydrophobicContact CB-CD2 4.25Å; Q303-F307 HydrophobicContact CB-CE2 4.33Å; Q303-F307 WeakPolarHBondContact O-CB 3.38Å; Q303-F307 WeakPolarHBondContact O-CD2 3.46Å; Q303-F307 PolarHBondContact O-N 2.8Å; F305-F307 PolarHBondContact O-N 2.98Å; F307-G311 WeakPolarHBondContact O-CA 3.33Å; F307-G311 PolarHBondContact O-N 2.89Å; F307-I452 HydrophobicContact CE1-CG2 3.68Å; F307-I452 HydrophobicContact CZ-CG2 3.99Å
308Y91.7Very high93.5Very high0 Ų010.4 Ų10.40%07%0.066CC..Hα-helixtrans-60.1-62169.3173.6-120.3000110.7T184 I187 F192 F206 G210 F250 V304 F305 V306 A310 G311 F312T184-Y308 HydrophobicContact CG2-CE2 4.27Å; I187-Y308 HydrophobicContact CG2-CD2 3.62Å; I187-Y308 HydrophobicContact CG2-CE2 3.92Å; F192-Y308 HydrophobicContact CE2-CD2 4.1Å; F192-Y308 HydrophobicContact CE2-CG 4.27Å; F206-Y308 HydrophobicContact CD1-CD2 4.14Å; F206-Y308 HydrophobicContact CD1-CE1 4.26Å; F206-Y308 AromaticContact CD1-CE2 3.42Å; F206-Y308 HydrophobicContact CD1-CE2 3.42Å; F206-Y308 VanDerWaalsContact CD1-CE2 3.42Å; F206-Y308 AromaticContact CD1-CZ 3.46Å; F206-Y308 VanDerWaalsContact CD1-CZ 3.46Å; F206-Y308 HydrophobicContact CE1-CD1 4.45Å; F206-Y308 AromaticContact CE1-CD2 3.27Å; F206-Y308 HydrophobicContact CE1-CD2 3.27Å; F206-Y308 HydrophobicContact CE1-CE1 4.17Å; F206-Y308 AromaticContact CE1-CE2 3.01Å; F206-Y308 HydrophobicContact CE1-CE2 3.01Å; F206-Y308 HydrophobicContact CE1-CG 4.02Å; F206-Y308 AromaticContact CE1-CZ 3.49Å; F206-Y308 VanDerWaalsContact CE1-CZ 3.49Å; F206-Y308 AromaticContact CZ-CD2 3.79Å; F206-Y308 HydrophobicContact CZ-CD2 3.79Å; F206-Y308 AromaticContact CZ-CE2 3.95Å; F206-Y308 HydrophobicContact CZ-CE2 3.95Å; F206-Y308 HydrophobicContact CZ-CG 4.17Å; F206-Y308 PolarHBondContact O-OH 3.29Å; G210-Y308 VanDerWaalsContact CA-CE1 3.49Å; F250-Y308 AromaticContact CE1-CD1 3.55Å; F250-Y308 HydrophobicContact CE1-CD1 3.55Å; F250-Y308 HydrophobicContact CE1-CE1 4.2Å; F250-Y308 HydrophobicContact CE1-CG 4.15Å; F250-Y308 AromaticContact CZ-CD1 3.31Å; F250-Y308 HydrophobicContact CZ-CD1 3.31Å; F250-Y308 AromaticContact CZ-CE1 3.65Å; F250-Y308 HydrophobicContact CZ-CE1 3.65Å; F250-Y308 HydrophobicContact CZ-CG 4.33Å; V304-Y308 WeakPolarHBondContact O-CB 3.34Å; V304-Y308 PolarHBondContact O-N 3.03Å; F305-Y308 WeakPolarHBondContact O-CB 3.25Å; F305-Y308 PolarHBondContact O-N 3.35Å; V306-Y308 VanDerWaalsContact C-N 3.33Å; Y308-A310 PolarHBondContact O-N 3.4Å; Y308-G311 PolarHBondContact O-N 2.76Å; Y308-G311 VanDerWaalsContact O-N 3.1Å; Y308-F312 HydrophobicContact CD1-CD1 4.13Å; Y308-F312 HydrophobicContact CD1-CE1 4.11Å; Y308-F312 AromaticContact CD2-CD1 3.97Å; Y308-F312 HydrophobicContact CD2-CD1 3.97Å; Y308-F312 AromaticContact CE1-CD1 3.82Å; Y308-F312 HydrophobicContact CE1-CD1 3.82Å; Y308-F312 AromaticContact CE1-CE1 3.65Å; Y308-F312 HydrophobicContact CE1-CE1 3.65Å; Y308-F312 HydrophobicContact CE2-CB 4.36Å; Y308-F312 AromaticContact CE2-CD1 3.53Å; Y308-F312 HydrophobicContact CE2-CD1 3.53Å; Y308-F312 HydrophobicContact CE2-CE1 4.21Å; Y308-F312 HydrophobicContact CE2-CG 4.2Å; Y308-F312 HydrophobicContact CG-CD1 4.25Å; Y308-F312 AromaticContact CZ-CD1 3.48Å; Y308-F312 VanDerWaalsContact CZ-CD1 3.48Å; Y308-F312 AromaticContact CZ-CE1 3.69Å; Y308-F312 VanDerWaalsContact O-CD1 3.23Å; Y308-F312 WeakPolarHBondContact O-CD1 3.11Å; Y308-F312 PolarHBondContact O-N 2.83Å
309V92.5Very high93.8Very high12 Ų1210.2 Ų10.27%0.0736%0.064CC..Hα-helixtrans-63.9-39.7-173.1-59.50000112.6V213 F214 F305 V306 F312 E313V213-V309 HydrophobicContact CB-CG1 4.21Å; V213-V309 HydrophobicContact CG1-CG1 4.16Å; V213-V309 HydrophobicContact CG2-CG1 3.94Å; F214-V309 HydrophobicContact CE2-CB 3.98Å; F214-V309 HydrophobicContact CE2-CG1 4.49Å; F214-V309 HydrophobicContact CZ-CB 3.87Å; F305-V309 HydrophobicContact CD2-CG1 4.31Å; F305-V309 HydrophobicContact CE2-CG1 3.89Å; F305-V309 HydrophobicContact CZ-CG1 4.25Å; F305-V309 WeakPolarHBondContact O-CG2 3.32Å; F305-V309 PolarHBondContact O-N 3.18Å; F305-V309 VanDerWaalsContact O-N 3.09Å; V306-V309 WeakPolarHBondContact O-CG2 3.43Å; V309-F312 HydrophobicContact CB-CE1 4.19Å; V309-F312 HydrophobicContact CG1-CE1 4.14Å; V309-E313 PolarHBondContact O-N 3.21Å
310A93.9Very high94.2Very high44 Ų449 Ų936%0.3646%0.058SC..Hα-helixtrans-69.7-34.8176.500000111.8V306 Y308 T314V306-A310 WeakPolarHBondContact O-CB 3.49Å; V306-A310 PolarHBondContact O-N 2.89Å; Y308-A310 PolarHBondContact O-N 3.4Å; A310-T314 PolarHBondContact O-OG1 2.92Å
311G91.7Very high94.5Very high9 Ų99 Ų99%0.0936%0.059CC..Hα-helixtrans-74.1-36.6-17700000114F307 Y308 Q460F307-G311 WeakPolarHBondContact O-CA 3.33Å; F307-G311 PolarHBondContact O-N 2.89Å; Y308-G311 PolarHBondContact O-N 2.76Å; Y308-G311 VanDerWaalsContact O-N 3.1Å; G311-Q460 PolarHBondContact O-NE2 2.55Å
312F90.8Very high94.8Very high1 Ų19 Ų90%0.0046%0.059CC..Hα-helixtrans-87-54.4-177.288.9-101.6000113T183 I187 F214 Y308 V309 S316T183-F312 WeakPolarHBondContact OG1-CA 3.25Å; T183-F312 PolarHBondContact OG1-O 2.93Å; I187-F312 HydrophobicContact CG2-CB 4.26Å; F214-F312 HydrophobicContact CD2-CZ 4.28Å; F214-F312 HydrophobicContact CE2-CE1 4.16Å; F214-F312 HydrophobicContact CE2-CE2 4.5Å; F214-F312 AromaticContact CE2-CZ 3.72Å; F214-F312 HydrophobicContact CE2-CZ 3.72Å; Y308-F312 HydrophobicContact CD1-CD1 4.13Å; Y308-F312 HydrophobicContact CD1-CE1 4.11Å; Y308-F312 AromaticContact CD2-CD1 3.97Å; Y308-F312 HydrophobicContact CD2-CD1 3.97Å; Y308-F312 AromaticContact CE1-CD1 3.82Å; Y308-F312 HydrophobicContact CE1-CD1 3.82Å; Y308-F312 AromaticContact CE1-CE1 3.65Å; Y308-F312 HydrophobicContact CE1-CE1 3.65Å; Y308-F312 HydrophobicContact CE2-CB 4.36Å; Y308-F312 AromaticContact CE2-CD1 3.53Å; Y308-F312 HydrophobicContact CE2-CD1 3.53Å; Y308-F312 HydrophobicContact CE2-CE1 4.21Å; Y308-F312 HydrophobicContact CE2-CG 4.2Å; Y308-F312 HydrophobicContact CG-CD1 4.25Å; Y308-F312 AromaticContact CZ-CD1 3.48Å; Y308-F312 VanDerWaalsContact CZ-CD1 3.48Å; Y308-F312 AromaticContact CZ-CE1 3.69Å; Y308-F312 VanDerWaalsContact O-CD1 3.23Å; Y308-F312 WeakPolarHBondContact O-CD1 3.11Å; Y308-F312 PolarHBondContact O-N 2.83Å; V309-F312 HydrophobicContact CB-CE1 4.19Å; V309-F312 HydrophobicContact CG1-CE1 4.14Å; F312-S316 VanDerWaalsContact O-CB 3.3Å; F312-S316 WeakPolarHBondContact O-CB 3.28Å; F312-S316 PolarHBondContact O-N 3.29Å; F312-S316 PolarHBondContact O-OG 3.21Å
313E92.6Very high95Very high17 Ų179 Ų98%0.0796%0.059CC..Hα-helixtrans-73-39.2-166.1-178.161.4-16700112.1F214 V309 S316 S317 V492F214-E313 HydrophobicContact CD1-CG 4.43Å; F214-E313 HydrophobicContact CD2-CB 4.34Å; F214-E313 HydrophobicContact CD2-CG 4.11Å; F214-E313 HydrophobicContact CE1-CB 4.35Å; F214-E313 HydrophobicContact CE1-CG 4.15Å; F214-E313 HydrophobicContact CE2-CB 3.59Å; F214-E313 HydrophobicContact CE2-CG 3.82Å; F214-E313 HydrophobicContact CG-CG 4.4Å; F214-E313 HydrophobicContact CZ-CB 3.59Å; F214-E313 HydrophobicContact CZ-CG 3.83Å; V309-E313 PolarHBondContact O-N 3.21Å; E313-S316 WeakPolarHBondContact CA-OG 3.29Å; E313-S316 PolarHBondContact O-OG 2.75Å; E313-S317 VanDerWaalsContact O-CB 3.29Å; E313-S317 WeakPolarHBondContact O-CB 3.36Å; E313-S317 PolarHBondContact O-N 3.04Å; E313-S317 VanDerWaalsContact O-N 3.11Å; E313-S317 PolarHBondContact O-OG 3.4Å; E313-V492 HydrophobicContact CG-CG2 4.07Å
314T95.3Very high95.2Very high44 Ų449.4 Ų9.427%0.276%0.06SC..Hα-helixtrans-68.1-47.2-178.866.30000110.8A310 S317 T318 L375A310-T314 PolarHBondContact O-OG1 2.92Å; T314-S317 PolarHBondContact O-N 2.94Å; T314-T318 PolarHBondContact O-N 3.07Å; T314-T318 PolarHBondContact O-OG1 2.92Å; T314-T318 VanDerWaalsContact O-OG1 3.05Å; T314-L375 WeakPolarHBondContact O-CD1 3.21Å
315S96.6Very high95.6Very high6 Ų610.1 Ų10.14%0.0426%0.063CC..Hα-helixtrans-72.1-35.7-176.2-61.70000111.8T318 M319 Q460S315-T318 PolarHBondContact O-N 2.63Å; S315-M319 WeakPolarHBondContact O-CE 3.49Å; S315-M319 WeakPolarHBondContact O-CG 3.36Å; S315-M319 PolarHBondContact O-N 3.48Å; S315-Q460 VanDerWaalsContact CB-NE2 3.28Å; S315-Q460 PolarHBondContact OG-NE2 2.97Å
316S96.1Very high95.8Very high0 Ų09.9 Ų9.90%06%0.062CC..Hα-helixtrans-64.2-44.9175.1610000111.3A180 F312 E313 M319 S320A180-S316 VanDerWaalsContact CA-CB 3.42Å; F312-S316 VanDerWaalsContact O-CB 3.3Å; F312-S316 WeakPolarHBondContact O-CB 3.28Å; F312-S316 PolarHBondContact O-N 3.29Å; F312-S316 PolarHBondContact O-OG 3.21Å; E313-S316 WeakPolarHBondContact CA-OG 3.29Å; E313-S316 PolarHBondContact O-OG 2.75Å; S316-M319 PolarHBondContact O-N 3.42Å; S316-S320 WeakPolarHBondContact O-CB 3.49Å; S316-S320 PolarHBondContact O-N 3.38Å; S316-S320 PolarHBondContact O-OG 2.9Å
317S96.5Very high96.1Very high1 Ų19.3 Ų9.31%0.0076%0.059CC..Hα-helixtrans-63.3-44.3178.3-61.90000111.1E313 T314 M319 S320 Y321E313-S317 VanDerWaalsContact O-CB 3.29Å; E313-S317 WeakPolarHBondContact O-CB 3.36Å; E313-S317 PolarHBondContact O-N 3.04Å; E313-S317 VanDerWaalsContact O-N 3.11Å; E313-S317 PolarHBondContact O-OG 3.4Å; T314-S317 PolarHBondContact O-N 2.94Å; S317-M319 PolarHBondContact O-N 2.85Å; S317-S320 PolarHBondContact O-N 3.28Å; S317-Y321 WeakPolarHBondContact O-CD2 3.49Å; S317-Y321 PolarHBondContact O-N 3.25Å
318T98.2Very high96.3Very high13 Ų1311.6 Ų11.68%0.087%0.07CC..Hα-helixtrans-56.5-48.7174.7-60.50000112.1T314 S315 S320 C322 I366 L370 L375T314-T318 PolarHBondContact O-N 3.07Å; T314-T318 PolarHBondContact O-OG1 2.92Å; T314-T318 VanDerWaalsContact O-OG1 3.05Å; S315-T318 PolarHBondContact O-N 2.63Å; T318-S320 VanDerWaalsContact C-N 3.32Å; T318-S320 PolarHBondContact O-N 2.65Å; T318-C322 VanDerWaalsContact O-CB 3.29Å; T318-C322 WeakPolarHBondContact O-CB 3.34Å; T318-C322 PolarHBondContact O-N 3.27Å; T318-I366 HydrophobicContact CG2-CG2 4.28Å; T318-L370 HydrophobicContact CG2-CD2 3.91Å; T318-L370 HydrophobicContact CG2-CG 4.04Å; T318-L370 WeakPolarHBondContact OG1-CD2 3.5Å; T318-L375 WeakPolarHBondContact OG1-CD1 3.42Å
319M98.6Very high96.6Very high0 Ų013.7 Ų13.70%08%0.081CC..Hα-helixtrans-65.4-38.2178.3-69.4-175.2-70.900112M179 F182 T183 S315 S316 S317 C322 L323 A461 L465M179-M319 HydrophobicContact CB-CB 4.43Å; M179-M319 HydrophobicContact CB-CE 4.32Å; M179-M319 HydrophobicContact CG-CB 3.8Å; M179-M319 HydrophobicContact SD-CB 3.67Å; M179-M319 HydrophobicContact SD-CE 4.16Å; M179-M319 HydrophobicContact SD-CG 4.49Å; M179-M319 HydrophobicContact SD-SD 4.08Å; F182-M319 HydrophobicContact CD1-CE 3.69Å; F182-M319 HydrophobicContact CD1-SD 4.15Å; F182-M319 HydrophobicContact CE1-CE 4Å; F182-M319 HydrophobicContact CE1-SD 4.07Å; T183-M319 HydrophobicContact CG2-CE 3.24Å; S315-M319 WeakPolarHBondContact O-CE 3.49Å; S315-M319 WeakPolarHBondContact O-CG 3.36Å; S315-M319 PolarHBondContact O-N 3.48Å; S316-M319 PolarHBondContact O-N 3.42Å; S317-M319 PolarHBondContact O-N 2.85Å; M319-C322 PolarHBondContact O-N 2.83Å; M319-L323 VanDerWaalsContact O-CG 3.28Å; M319-L323 WeakPolarHBondContact O-CG 3.45Å; M319-L323 PolarHBondContact O-N 2.9Å; M319-A461 HydrophobicContact CG-CB 4.05Å; M319-L465 HydrophobicContact CB-CD2 4.32Å; M319-L465 HydrophobicContact CB-CG 4.48Å; M319-L465 HydrophobicContact CG-CD1 4.36Å; M319-L465 HydrophobicContact CG-CD2 4.42Å; M319-L465 HydrophobicContact CG-CG 4.04Å
320S98.3Very high96.9Very high1 Ų115.1 Ų15.11%0.0079%0.087CC..Hα-helixtrans-65-44.4-179.8-52.20000111.9K176 M179 S316 S317 T318 L323 Y324K176-S320 WeakPolarHBondContact CA-OG 3.26Å; M179-S320 WeakPolarHBondContact CG-OG 3.4Å; S316-S320 WeakPolarHBondContact O-CB 3.49Å; S316-S320 PolarHBondContact O-N 3.38Å; S316-S320 PolarHBondContact O-OG 2.9Å; S317-S320 PolarHBondContact O-N 3.28Å; T318-S320 VanDerWaalsContact C-N 3.32Å; T318-S320 PolarHBondContact O-N 2.65Å; S320-L323 PolarHBondContact O-N 3.11Å; S320-Y324 WeakPolarHBondContact O-CB 3.34Å; S320-Y324 PolarHBondContact O-N 3.35Å
321Y98.6Very high97.2Very high1 Ų118.5 Ų18.50%0.00410%0.099CC..Hα-helixtrans-68.6-36.6175.7-62.7-43.4000112.3S317 Y324 E325 Y373 L375 L484 Y486 L493 G494 T495 I499S317-Y321 WeakPolarHBondContact O-CD2 3.49Å; S317-Y321 PolarHBondContact O-N 3.25Å; Y321-Y324 WeakPolarHBondContact O-CB 3.25Å; Y321-Y324 PolarHBondContact O-N 3.27Å; Y321-E325 PolarHBondContact O-N 2.47Å; Y321-Y373 AromaticContact CD1-CD1 3.74Å; Y321-Y373 HydrophobicContact CD1-CD1 3.74Å; Y321-Y373 AromaticContact CD1-CE1 3.97Å; Y321-Y373 HydrophobicContact CD1-CE1 3.97Å; Y321-Y373 HydrophobicContact CD1-CG 4.2Å; Y321-Y373 HydrophobicContact CD2-CD1 4Å; Y321-Y373 AromaticContact CD2-CG 3.86Å; Y321-Y373 HydrophobicContact CD2-CG 3.86Å; Y321-Y373 HydrophobicContact CE1-CD1 4.17Å; Y321-Y373 HydrophobicContact CE1-CE1 4.5Å; Y321-Y373 HydrophobicContact CE2-CD1 4.38Å; Y321-Y373 AromaticContact CG-CD1 3.68Å; Y321-Y373 HydrophobicContact CG-CD1 3.68Å; Y321-Y373 HydrophobicContact CG-CD2 4.22Å; Y321-Y373 HydrophobicContact CG-CE1 4.25Å; Y321-Y373 AromaticContact CG-CG 3.66Å; Y321-Y373 HydrophobicContact CG-CG 3.66Å; Y321-L375 HydrophobicContact CD2-CD2 3.99Å; Y321-L375 HydrophobicContact CE2-CD2 3.53Å; Y321-L484 HydrophobicContact CD1-CD1 3.83Å; Y321-L484 HydrophobicContact CE1-CD1 3.83Å; Y321-Y486 HydrophobicContact CE1-CE1 4.35Å; Y321-L493 PolarHBondContact OH-O 3.49Å; Y321-G494 WeakPolarHBondContact OH-CA 3.23Å; Y321-T495 HydrophobicContact CE1-CG2 3.77Å; Y321-I499 HydrophobicContact CD1-CD1 3.85Å; Y321-I499 HydrophobicContact CE1-CD1 3.94Å
322C98.9Very high97.5Very high0 Ų018.7 Ų18.70%010%0.098CC..Hα-helixtrans-60.5-49.2173.9-178.40000110.8T318 M319 Y324 E325 L326 V365 T369 L465T318-C322 VanDerWaalsContact O-CB 3.29Å; T318-C322 WeakPolarHBondContact O-CB 3.34Å; T318-C322 PolarHBondContact O-N 3.27Å; M319-C322 PolarHBondContact O-N 2.83Å; C322-Y324 VanDerWaalsContact C-N 3.32Å; C322-Y324 PolarHBondContact O-N 3.06Å; C322-E325 PolarHBondContact O-N 3.13Å; C322-L326 WeakPolarHBondContact O-CB 3.43Å; C322-L326 VanDerWaalsContact O-CG 3.25Å; C322-L326 WeakPolarHBondContact O-CG 3.45Å; C322-L326 PolarHBondContact O-N 3.19Å; C322-V365 VanDerWaalsContact SG-CG1 3.59Å; C322-T369 HydrophobicContact CB-CG2 3.94Å; C322-L465 HydrophobicContact CB-CD1 4.07Å; C322-L465 HydrophobicContact CB-CD2 4Å
323L98.9Very high97.9Very high0 Ų018.7 Ų18.70%010%0.098CC..Hα-helixtrans-64.2-36.5177.7-67.9167000112.4I175 M179 M319 S320 L326 A327 L465 I468 I469 V474 L501I175-L323 HydrophobicContact CG2-CB 4.12Å; I175-L323 HydrophobicContact CG2-CD1 3.41Å; I175-L323 VanDerWaalsContact CG2-CD1 3.41Å; I175-L323 HydrophobicContact CG2-CG 4.41Å; M179-L323 HydrophobicContact CE-CD1 4.33Å; M179-L323 HydrophobicContact CG-CD1 4.32Å; M179-L323 HydrophobicContact SD-CD1 3.86Å; M319-L323 VanDerWaalsContact O-CG 3.28Å; M319-L323 WeakPolarHBondContact O-CG 3.45Å; M319-L323 PolarHBondContact O-N 2.9Å; S320-L323 PolarHBondContact O-N 3.11Å; L323-L326 PolarHBondContact O-N 3.47Å; L323-A327 VanDerWaalsContact O-CB 3.27Å; L323-A327 WeakPolarHBondContact O-CB 3.49Å; L323-A327 PolarHBondContact O-N 2.81Å; L323-L465 HydrophobicContact CD1-CD2 4.42Å; L323-L465 HydrophobicContact CD2-CD2 3.88Å; L323-L465 HydrophobicContact CG-CD2 3.8Å; L323-I468 HydrophobicContact CD1-CD1 3.65Å; L323-I468 HydrophobicContact CD2-CB 4.5Å; L323-I468 HydrophobicContact CD2-CD1 4.25Å; L323-I468 HydrophobicContact CD2-CG2 3.92Å; L323-I469 HydrophobicContact CD2-CD1 3.9Å; L323-V474 HydrophobicContact CD2-CG1 4.34Å; L323-V474 HydrophobicContact CD2-CG2 4.24Å; L323-L501 HydrophobicContact CB-CD1 4.02Å; L323-L501 WeakPolarHBondContact O-CD1 3.41Å
324Y98.7Very high98.2Very high7 Ų720.6 Ų20.63%0.02711%0.109CC..Hα-helixtrans-61-43.6173.7171.9-99.8000112.2S320 Y321 C322 Q328 Y373 T480 I482 L484 I499S320-Y324 WeakPolarHBondContact O-CB 3.34Å; S320-Y324 PolarHBondContact O-N 3.35Å; Y321-Y324 WeakPolarHBondContact O-CB 3.25Å; Y321-Y324 PolarHBondContact O-N 3.27Å; C322-Y324 VanDerWaalsContact C-N 3.32Å; C322-Y324 PolarHBondContact O-N 3.06Å; Y324-Q328 VanDerWaalsContact CD1-NE2 3.34Å; Y324-Q328 PolarHBondContact O-N 3.43Å; Y324-Q328 PolarHBondContact O-NE2 3.39Å; Y324-Q328 VanDerWaalsContact O-NE2 3.13Å; Y324-Q328 PolarHBondContact OH-OE1 3.49Å; Y324-Y373 WeakPolarHBondContact CD1-OH 3.1Å; Y324-Y373 WeakPolarHBondContact CE1-OH 3.22Å; Y324-T480 HydrophobicContact CD2-CG2 4.29Å; Y324-T480 HydrophobicContact CE2-CG2 4.04Å; Y324-I482 HydrophobicContact CE2-CG1 4.13Å; Y324-L484 HydrophobicContact CD1-CD1 3.75Å; Y324-L484 HydrophobicContact CD1-CG 4.28Å; Y324-L484 HydrophobicContact CD2-CD1 4.14Å; Y324-L484 HydrophobicContact CD2-CD2 4.06Å; Y324-L484 HydrophobicContact CD2-CG 4.15Å; Y324-L484 HydrophobicContact CE1-CD1 3.78Å; Y324-L484 HydrophobicContact CE1-CG 3.88Å; Y324-L484 HydrophobicContact CE2-CD1 4.17Å; Y324-L484 HydrophobicContact CE2-CD2 3.78Å; Y324-L484 HydrophobicContact CE2-CG 3.72Å; Y324-L484 HydrophobicContact CG-CD1 3.95Å; Y324-L484 HydrophobicContact CG-CG 4.42Å; Y324-I499 HydrophobicContact CD2-CG2 4.08Å
325E98.8Very high98.3Very high15 Ų1524.1 Ų24.17%0.0712%0.117CC..Hα-helixtrans-69.2-43.2175.6-73.1-61.2156.600112.3Y321 C322 A327 Q328 N329 Y373 F423Y321-E325 PolarHBondContact O-N 2.47Å; C322-E325 PolarHBondContact O-N 3.13Å; E325-A327 VanDerWaalsContact C-N 3.25Å; E325-A327 PolarHBondContact O-N 3.45Å; E325-Q328 PolarHBondContact O-N 2.91Å; E325-Q328 VanDerWaalsContact O-N 3.11Å; E325-N329 WeakPolarHBondContact O-CB 3.45Å; E325-N329 PolarHBondContact O-N 2.99Å; E325-N329 PolarHBondContact O-ND2 2.62Å; E325-N329 PolarHBondContact OE2-ND2 2.94Å; E325-Y373 HydrophobicContact CG-CE2 3.58Å; E325-Y373 VanDerWaalsContact OE1-CE2 3.29Å; E325-Y373 WeakPolarHBondContact OE1-CE2 3.22Å; E325-Y373 VanDerWaalsContact OE1-CZ 3.25Å; E325-Y373 PolarHBondContact OE1-OH 3.15Å; E325-F423 HydrophobicContact CB-CD1 4.04Å; E325-F423 HydrophobicContact CB-CD2 3.87Å; E325-F423 HydrophobicContact CB-CE1 3.95Å; E325-F423 HydrophobicContact CB-CE2 3.76Å; E325-F423 HydrophobicContact CB-CG 4.01Å; E325-F423 HydrophobicContact CB-CZ 3.81Å; E325-F423 HydrophobicContact CG-CD2 3.54Å; E325-F423 HydrophobicContact CG-CE2 3.69Å; E325-F423 HydrophobicContact CG-CG 4Å; E325-F423 HydrophobicContact CG-CZ 4.27Å; E325-F423 WeakPolarHBondContact OE2-CB 3.43Å
326L98.9Very high98.4Very high0 Ų023.9 Ų23.90%012%0.115CC..Hα-helixtrans-63.1-32.7176.6-68.8176000112.4C322 L323 Q328 N329 Q330 I332 Q333 L336 V365 I469 V474C322-L326 WeakPolarHBondContact O-CB 3.43Å; C322-L326 VanDerWaalsContact O-CG 3.25Å; C322-L326 WeakPolarHBondContact O-CG 3.45Å; C322-L326 PolarHBondContact O-N 3.19Å; L323-L326 PolarHBondContact O-N 3.47Å; L326-Q328 VanDerWaalsContact C-N 3.31Å; L326-N329 CarbonylContact O-C 3.41Å; L326-N329 PolarHBondContact O-N 3.04Å; L326-Q330 PolarHBondContact O-NE2 3.19Å; L326-I332 HydrophobicContact CD2-CB 4.46Å; L326-I332 HydrophobicContact CD2-CG2 3.73Å; L326-Q333 HydrophobicContact CB-CB 4.21Å; L326-Q333 HydrophobicContact CB-CG 4.14Å; L326-Q333 HydrophobicContact CD2-CB 4.21Å; L326-Q333 PolarHBondContact O-NE2 3.49Å; L326-L336 HydrophobicContact CD1-CD2 3.7Å; L326-L336 HydrophobicContact CD2-CD2 4.13Å; L326-V365 HydrophobicContact CD1-CG1 4.41Å; L326-V365 HydrophobicContact CD2-CG1 3.96Å; L326-V365 HydrophobicContact CG-CG1 4.32Å; L326-I469 HydrophobicContact CD1-CD1 3.77Å; L326-I469 HydrophobicContact CD1-CG1 4.06Å; L326-V474 HydrophobicContact CB-CG2 4.37Å
327A98.7Very high98.5Very high3 Ų324.7 Ų24.73%0.02512%0.118CC..Hα-helixtrans-68.1-30.9175.400000112.9L323 E325 Q330 V474 V476 L501L323-A327 VanDerWaalsContact O-CB 3.27Å; L323-A327 WeakPolarHBondContact O-CB 3.49Å; L323-A327 PolarHBondContact O-N 2.81Å; E325-A327 VanDerWaalsContact C-N 3.25Å; E325-A327 PolarHBondContact O-N 3.45Å; A327-Q330 PolarHBondContact O-NE2 3.08Å; A327-V474 HydrophobicContact CB-CB 4.49Å; A327-V474 HydrophobicContact CB-CG2 4.25Å; A327-V476 HydrophobicContact CB-CG1 4.17Å; A327-L501 HydrophobicContact CB-CD1 3.89Å; A327-L501 HydrophobicContact CB-CD2 3.72Å; A327-L501 HydrophobicContact CB-CG 4.36Å
328Q98.5Very high98.6Very high69 Ų6929 Ų2932%0.32214%0.141SC..Hα-helixtrans-84-27.1175.1-70.4171.7102.400112.8Y324 E325 L326 V476 I482Y324-Q328 VanDerWaalsContact CD1-NE2 3.34Å; Y324-Q328 PolarHBondContact O-N 3.43Å; Y324-Q328 PolarHBondContact O-NE2 3.39Å; Y324-Q328 VanDerWaalsContact O-NE2 3.13Å; Y324-Q328 PolarHBondContact OH-OE1 3.49Å; E325-Q328 PolarHBondContact O-N 2.91Å; E325-Q328 VanDerWaalsContact O-N 3.11Å; L326-Q328 VanDerWaalsContact C-N 3.31Å; Q328-V476 HydrophobicContact CG-CG1 3.6Å; Q328-I482 HydrophobicContact CG-CD1 4.2Å
329N98.7Very high98.6Very high44 Ų4430.4 Ų30.424%0.23515%0.147CC..  trans-117.380-176.2-56.8-82.8000110.6E325 L326 D331 I332 Q333E325-N329 WeakPolarHBondContact O-CB 3.45Å; E325-N329 PolarHBondContact O-N 2.99Å; E325-N329 PolarHBondContact O-ND2 2.62Å; E325-N329 PolarHBondContact OE2-ND2 2.94Å; L326-N329 CarbonylContact O-C 3.41Å; L326-N329 PolarHBondContact O-N 3.04Å; N329-D331 VanDerWaalsContact C-N 3.34Å; N329-D331 PolarHBondContact O-N 3.44Å; N329-I332 HydrophobicContact CB-CB 4.07Å; N329-I332 HydrophobicContact CB-CD1 3.74Å; N329-I332 HydrophobicContact CB-CG1 4.04Å; N329-I332 PolarHBondContact O-N 2.92Å; N329-Q333 PolarHBondContact O-N 2.96Å
330Q98.5Very high98.6Very high42 Ų4230.4 Ų30.420%0.19615%0.147CC..Hα-helixtrans-66.1-33.7-172.8-66.4-65.9-58.200113.3L326 A327 Q333 D334 V474L326-Q330 PolarHBondContact O-NE2 3.19Å; A327-Q330 PolarHBondContact O-NE2 3.08Å; Q330-Q333 WeakPolarHBondContact O-CB 3.29Å; Q330-Q333 PolarHBondContact O-N 3.17Å; Q330-D334 WeakPolarHBondContact O-CB 3.25Å; Q330-D334 PolarHBondContact O-N 2.84Å; Q330-V474 PolarHBondContact NE2-O 2.86Å
331D98.6Very high98.5Very high115 Ų11533.5 Ų33.562%0.61516%0.161SC*.Hα-helixtrans-61.9-42.3174.461.6-51000112.1N329 D334 R335N329-D331 VanDerWaalsContact C-N 3.34Å; N329-D331 PolarHBondContact O-N 3.44Å; D331-D334 PolarHBondContact O-N 2.94Å; D331-R335 WeakPolarHBondContact O-CB 3.45Å; D331-R335 PolarHBondContact O-N 3.31Å
332I98.8Very high98.4Very high14 Ų1436.8 Ų36.87%0.07218%0.181CC..Hα-helixtrans-64.8-42.7173.6-63.2178.6000110.1L326 N329 R335 L336 Y361 V365 F423 P425L326-I332 HydrophobicContact CD2-CB 4.46Å; L326-I332 HydrophobicContact CD2-CG2 3.73Å; N329-I332 HydrophobicContact CB-CB 4.07Å; N329-I332 HydrophobicContact CB-CD1 3.74Å; N329-I332 HydrophobicContact CB-CG1 4.04Å; N329-I332 PolarHBondContact O-N 2.92Å; I332-R335 PolarHBondContact O-N 2.75Å; I332-L336 VanDerWaalsContact O-CB 3.31Å; I332-L336 WeakPolarHBondContact O-CB 3.37Å; I332-L336 PolarHBondContact O-N 3.18Å; I332-Y361 HydrophobicContact CG2-CE1 4.21Å; I332-V365 HydrophobicContact CG2-CG2 4.11Å; I332-F423 HydrophobicContact CD1-CD1 3.82Å; I332-F423 HydrophobicContact CD1-CE1 4.29Å; I332-F423 HydrophobicContact CG2-CE1 4.34Å; I332-P425 HydrophobicContact CD1-CG 4.1Å; I332-P425 HydrophobicContact CG2-CG 3.88Å
333Q98.8Very high98.3Very high0 Ų037.3 Ų37.30%019%0.185CC..Hα-helixtrans-62.8-43.5177.5-166.1-173.715000112.5L326 N329 Q330 L336 R337 I469 V474L326-Q333 HydrophobicContact CB-CB 4.21Å; L326-Q333 HydrophobicContact CB-CG 4.14Å; L326-Q333 HydrophobicContact CD2-CB 4.21Å; L326-Q333 PolarHBondContact O-NE2 3.49Å; N329-Q333 PolarHBondContact O-N 2.96Å; Q330-Q333 WeakPolarHBondContact O-CB 3.29Å; Q330-Q333 PolarHBondContact O-N 3.17Å; Q333-L336 PolarHBondContact O-N 3.45Å; Q333-R337 WeakPolarHBondContact O-CB 3.4Å; Q333-R337 PolarHBondContact O-N 2.78Å; Q333-I469 HydrophobicContact CG-CD1 4.07Å; Q333-V474 PolarHBondContact NE2-O 2.86Å
334D98.7Very high98.1Very high58 Ų5838.3 Ų38.331%0.3119%0.19SC..Hα-helixtrans-66.3-42.7179.6-67.9-17.3000110.9Q330 D331 L336 R337 N338Q330-D334 WeakPolarHBondContact O-CB 3.25Å; Q330-D334 PolarHBondContact O-N 2.84Å; D331-D334 PolarHBondContact O-N 2.94Å; D334-L336 PolarHBondContact O-N 3.18Å; D334-R337 PolarHBondContact O-N 2.73Å; D334-R337 IonicContact OD1-CZ 3.45Å; D334-R337 IonicContact OD1-NH1 3.19Å; D334-R337 PolarHBondContact OD1-NH1 3.33Å; D334-R337 IonicContact OD1-NH2 3.91Å; D334-N338 PolarHBondContact O-N 3.38Å; D334-N338 PolarHBondContact O-ND2 2.97Å; D334-N338 PolarHBondContact O-OD1 3.4Å
335R98.6Very high97.8Very high118 Ų11845 Ų4545%0.44522%0.221SC..Hα-helixtrans-61.5-43.7172.7-179.8174.1171.7-162.4-6.9112.4D331 I332 R337 N338 E339 Y361 E426D331-R335 WeakPolarHBondContact O-CB 3.45Å; D331-R335 PolarHBondContact O-N 3.31Å; I332-R335 PolarHBondContact O-N 2.75Å; R335-R337 VanDerWaalsContact C-N 3.33Å; R335-N338 PolarHBondContact O-N 3.28Å; R335-E339 PolarHBondContact O-N 2.87Å; R335-E339 VanDerWaalsContact O-N 3.08Å; R335-Y361 HydrophobicContact CB-CE1 4.02Å; R335-Y361 HydrophobicContact CG-CD1 4.06Å; R335-Y361 HydrophobicContact CG-CE1 3.73Å; R335-E426 IonicContact CZ-OE1 3.35Å; R335-E426 IonicContact NH1-OE1 3.08Å; R335-E426 PolarHBondContact NH1-OE1 2.74Å; R335-E426 IonicContact NH2-OE1 2.77Å; R335-E426 PolarHBondContact NH2-OE1 3.15Å
336L98.7Very high97.5Very high0 Ų050.9 Ų50.90%025%0.249CC..Hα-helixtrans-62.1-42.2176.6177.360.6000111.6L326 I332 Q333 D334 E339 I340 Y361 L362 V365 I469L326-L336 HydrophobicContact CD1-CD2 3.7Å; L326-L336 HydrophobicContact CD2-CD2 4.13Å; I332-L336 VanDerWaalsContact O-CB 3.31Å; I332-L336 WeakPolarHBondContact O-CB 3.37Å; I332-L336 PolarHBondContact O-N 3.18Å; Q333-L336 PolarHBondContact O-N 3.45Å; D334-L336 PolarHBondContact O-N 3.18Å; L336-E339 PolarHBondContact O-N 3.19Å; L336-I340 HydrophobicContact CD1-CD1 3.95Å; L336-I340 HydrophobicContact CD1-CG1 4.3Å; L336-I340 HydrophobicContact CG-CD1 3.8Å; L336-I340 WeakPolarHBondContact O-CD1 3.41Å; L336-I340 VanDerWaalsContact O-CG1 3.31Å; L336-I340 WeakPolarHBondContact O-CG1 3.37Å; L336-I340 PolarHBondContact O-N 2.64Å; L336-Y361 HydrophobicContact CB-CD1 4.03Å; L336-Y361 HydrophobicContact CB-CE1 4.17Å; L336-Y361 HydrophobicContact CD1-CD1 4.15Å; L336-L362 VanDerWaalsContact CD1-CA 3.47Å; L336-L362 HydrophobicContact CD1-CB 3.7Å; L336-L362 HydrophobicContact CD1-CD1 3.95Å; L336-L362 HydrophobicContact CD1-CG 4.4Å; L336-L362 HydrophobicContact CD2-CD1 4.18Å; L336-V365 HydrophobicContact CD2-CG1 4.29Å; L336-V365 HydrophobicContact CD2-CG2 4.36Å; L336-I469 HydrophobicContact CD2-CG1 4.26Å; L336-I469 HydrophobicContact CD2-CG2 4.28Å; L336-I469 HydrophobicContact CG-CG2 4.16Å
337R98.4Very high97.1Very high18 Ų1854.4 Ų54.47%0.06827%0.265CS..Hα-helixtrans-61.5-44.7176.2-173.1177.1-48.1102.2-0.6112Q333 D334 R335 E339 I340 Q341 I469Q333-R337 WeakPolarHBondContact O-CB 3.4Å; Q333-R337 PolarHBondContact O-N 2.78Å; D334-R337 PolarHBondContact O-N 2.73Å; D334-R337 IonicContact OD1-CZ 3.45Å; D334-R337 IonicContact OD1-NH1 3.19Å; D334-R337 PolarHBondContact OD1-NH1 3.33Å; D334-R337 IonicContact OD1-NH2 3.91Å; R335-R337 VanDerWaalsContact C-N 3.33Å; R337-E339 PolarHBondContact O-N 2.96Å; R337-I340 PolarHBondContact O-N 2.79Å; R337-Q341 HydrophobicContact CG-CG 4.31Å; R337-Q341 WeakPolarHBondContact O-CB 3.19Å; R337-Q341 WeakPolarHBondContact O-CG 3.45Å; R337-Q341 PolarHBondContact O-N 3.33Å; R337-I469 HydrophobicContact CB-CG2 3.87Å; R337-I469 WeakPolarHBondContact CD-O 3.22Å; R337-I469 HydrophobicContact CG-CG2 4.45Å; R337-I469 WeakPolarHBondContact CG-O 3.15Å; R337-I469 PolarHBondContact NE-O 2.94Å
338N98.3Very high96.6Very high92 Ų9262.8 Ų62.849%0.49230%0.304SS..Hα-helixtrans-59.4-46177.4-67.4-16.1000111D334 R335 I340 Q341 T342D334-N338 PolarHBondContact O-N 3.38Å; D334-N338 PolarHBondContact O-ND2 2.97Å; D334-N338 PolarHBondContact O-OD1 3.4Å; R335-N338 PolarHBondContact O-N 3.28Å; N338-I340 PolarHBondContact O-N 2.93Å; N338-Q341 PolarHBondContact O-N 2.79Å; N338-T342 WeakPolarHBondContact O-CB 3.38Å; N338-T342 PolarHBondContact O-N 2.86Å; N338-T342 PolarHBondContact O-OG1 3.08Å
339E98.3Very high96Very high41 Ų4161.9 Ų61.919%0.19231%0.313CS..Hα-helixtrans-57-49.8174.1176.8-177.8-104.700111.6R335 L336 R337 Q341 T342 V343 M359 T360 Y361 L362R335-E339 PolarHBondContact O-N 2.87Å; R335-E339 VanDerWaalsContact O-N 3.08Å; L336-E339 PolarHBondContact O-N 3.19Å; R337-E339 PolarHBondContact O-N 2.96Å; E339-Q341 VanDerWaalsContact C-N 3.32Å; E339-Q341 PolarHBondContact O-N 2.88Å; E339-T342 PolarHBondContact O-N 2.6Å; E339-V343 HydrophobicContact CG-CG2 4.27Å; E339-V343 WeakPolarHBondContact O-CB 3.28Å; E339-V343 WeakPolarHBondContact O-CG2 3.43Å; E339-V343 PolarHBondContact O-N 3.36Å; E339-M359 VanDerWaalsContact OE2-C 3.3Å; E339-M359 WeakPolarHBondContact OE2-CA 3.28Å; E339-T360 PolarHBondContact OE1-N 2.83Å; E339-T360 PolarHBondContact OE2-N 2.71Å; E339-Y361 VanDerWaalsContact CD-CB 3.44Å; E339-Y361 VanDerWaalsContact CD-N 3.26Å; E339-Y361 WeakPolarHBondContact OE1-CB 3.45Å; E339-Y361 PolarHBondContact OE1-N 2.99Å; E339-Y361 WeakPolarHBondContact OE2-CA 3.19Å; E339-Y361 WeakPolarHBondContact OE2-CB 3.4Å; E339-Y361 PolarHBondContact OE2-N 3.05Å; E339-L362 PolarHBondContact OE2-N 2.88Å
340I97.9Very high95.5Very high0 Ų065.5 Ų65.50%033%0.329CS..Hα-helixtrans-61.3-44-177.5-67159.5000110.4L336 R337 N338 L344 M359 A466 I469L336-I340 HydrophobicContact CD1-CD1 3.95Å; L336-I340 HydrophobicContact CD1-CG1 4.3Å; L336-I340 HydrophobicContact CG-CD1 3.8Å; L336-I340 WeakPolarHBondContact O-CD1 3.41Å; L336-I340 VanDerWaalsContact O-CG1 3.31Å; L336-I340 WeakPolarHBondContact O-CG1 3.37Å; L336-I340 PolarHBondContact O-N 2.64Å; R337-I340 PolarHBondContact O-N 2.79Å; N338-I340 PolarHBondContact O-N 2.93Å; I340-L344 HydrophobicContact CG2-CD1 3.8Å; I340-L344 HydrophobicContact CG2-CG 4.32Å; I340-L344 WeakPolarHBondContact O-CB 3.26Å; I340-L344 WeakPolarHBondContact O-CG 3.47Å; I340-L344 PolarHBondContact O-N 2.92Å; I340-M359 HydrophobicContact CG1-SD 4.14Å; I340-M359 HydrophobicContact CG2-CE 4.02Å; I340-A466 HydrophobicContact CD1-CB 4.49Å; I340-A466 HydrophobicContact CG2-CB 4.32Å; I340-I469 HydrophobicContact CD1-CB 3.91Å; I340-I469 HydrophobicContact CD1-CG2 3.87Å
341Q96.1Very high95.1Very high67 Ų6764.4 Ų64.431%0.31332%0.324SS..Hα-helixtrans-63.6-48.2178.8-74.7177.7-1600111.5R337 N338 E339 V343 L344 E345R337-Q341 HydrophobicContact CG-CG 4.31Å; R337-Q341 WeakPolarHBondContact O-CB 3.19Å; R337-Q341 WeakPolarHBondContact O-CG 3.45Å; R337-Q341 PolarHBondContact O-N 3.33Å; N338-Q341 PolarHBondContact O-N 2.79Å; E339-Q341 VanDerWaalsContact C-N 3.32Å; E339-Q341 PolarHBondContact O-N 2.88Å; Q341-V343 PolarHBondContact O-N 3.46Å; Q341-L344 PolarHBondContact O-N 3.21Å; Q341-E345 WeakPolarHBondContact O-CG 3.26Å; Q341-E345 PolarHBondContact O-N 3.03Å
342T96.8Very high94.8Very high69 Ų6961 Ų6142%0.42331%0.307SS..Hα-helixtrans-58.3-47.9177.1-60.50000111.9N338 E339 L344 E345 E346N338-T342 WeakPolarHBondContact O-CB 3.38Å; N338-T342 PolarHBondContact O-N 2.86Å; N338-T342 PolarHBondContact O-OG1 3.08Å; E339-T342 PolarHBondContact O-N 2.6Å; T342-L344 VanDerWaalsContact C-N 3.29Å; T342-L344 PolarHBondContact O-N 3.39Å; T342-E345 PolarHBondContact O-N 2.87Å; T342-E346 WeakPolarHBondContact O-CG 3.45Å; T342-E346 PolarHBondContact O-N 2.76Å
343V96.5Very high94.4Very high12 Ų1263.3 Ų63.37%0.07332%0.316CS..Hα-helixtrans-64.2-35.1179169.90000111.8E339 Q341 Q347 S355 A358 M359E339-V343 HydrophobicContact CG-CG2 4.27Å; E339-V343 WeakPolarHBondContact O-CB 3.28Å; E339-V343 WeakPolarHBondContact O-CG2 3.43Å; E339-V343 PolarHBondContact O-N 3.36Å; Q341-V343 PolarHBondContact O-N 3.46Å; V343-Q347 WeakPolarHBondContact O-CB 3.46Å; V343-Q347 WeakPolarHBondContact O-CG 3.15Å; V343-Q347 PolarHBondContact O-N 3Å; V343-S355 WeakPolarHBondContact CG1-O 3.23Å; V343-A358 HydrophobicContact CG1-CB 3.98Å; V343-A358 HydrophobicContact CG2-CB 4.36Å; V343-M359 HydrophobicContact CB-CE 4.41Å; V343-M359 HydrophobicContact CB-CG 4.3Å; V343-M359 HydrophobicContact CG1-CE 4.01Å; V343-M359 HydrophobicContact CG1-CG 4.05Å; V343-M359 HydrophobicContact CG2-CG 4.35Å
344L94.2Very high93.9Very high20 Ų2067.5 Ų67.511%0.10534%0.335CS..Hα-helixtrans-69.8-42.3175.4-73.8174.5000111.7I340 Q341 T342 E346 Q347 E348 G349 L351 M359I340-L344 HydrophobicContact CG2-CD1 3.8Å; I340-L344 HydrophobicContact CG2-CG 4.32Å; I340-L344 WeakPolarHBondContact O-CB 3.26Å; I340-L344 WeakPolarHBondContact O-CG 3.47Å; I340-L344 PolarHBondContact O-N 2.92Å; Q341-L344 PolarHBondContact O-N 3.21Å; T342-L344 VanDerWaalsContact C-N 3.29Å; T342-L344 PolarHBondContact O-N 3.39Å; L344-E346 VanDerWaalsContact C-N 3.34Å; L344-E346 PolarHBondContact O-N 3.05Å; L344-Q347 CarbonylContact O-C 3.47Å; L344-Q347 VanDerWaalsContact O-C 3.28Å; L344-Q347 PolarHBondContact O-N 3.09Å; L344-E348 PolarHBondContact O-N 3.34Å; L344-G349 WeakPolarHBondContact O-CA 3.47Å; L344-G349 PolarHBondContact O-N 2.65Å; L344-L351 HydrophobicContact CD2-CD2 3.69Å; L344-L351 HydrophobicContact CD2-CG 3.82Å; L344-M359 HydrophobicContact CG-CE 4.44Å
345E93.4Very high93.6Very high148 Ų14864.8 Ų64.869%0.69232%0.321SS*.Hα-helixtrans-59.5-43.6176.2-74.1170.7-176.400111.6Q341 T342 Q347 E348Q341-E345 WeakPolarHBondContact O-CG 3.26Å; Q341-E345 PolarHBondContact O-N 3.03Å; T342-E345 PolarHBondContact O-N 2.87Å; E345-Q347 PolarHBondContact O-N 2.94Å; E345-Q347 VanDerWaalsContact O-N 3.17Å; E345-E348 PolarHBondContact O-N 3Å
346E92.5Very high93.4Very high138 Ų13859.4 Ų59.465%0.64530%0.301SS*.THydrogen-bonded Turntrans-64.3-16.1174.6-70.9176.2178.200113.9T342 L344T342-E346 WeakPolarHBondContact O-CG 3.45Å; T342-E346 PolarHBondContact O-N 2.76Å; L344-E346 VanDerWaalsContact C-N 3.34Å; L344-E346 PolarHBondContact O-N 3.05Å
347Q90Very high93Very high75 Ų7566.2 Ų66.235%0.3533%0.33SS..THydrogen-bonded Turntrans-119.629.1-175.8-61.6-73.5-46.100111.5V343 L344 E345 G349 Q350V343-Q347 WeakPolarHBondContact O-CB 3.46Å; V343-Q347 WeakPolarHBondContact O-CG 3.15Å; V343-Q347 PolarHBondContact O-N 3Å; L344-Q347 CarbonylContact O-C 3.47Å; L344-Q347 VanDerWaalsContact O-C 3.28Å; L344-Q347 PolarHBondContact O-N 3.09Å; E345-Q347 PolarHBondContact O-N 2.94Å; E345-Q347 VanDerWaalsContact O-N 3.17Å; Q347-G349 PolarHBondContact O-N 3.22Å; Q347-Q350 WeakPolarHBondContact O-CB 3.49Å; Q347-Q350 PolarHBondContact O-N 3.32Å
348E89Confident92.7Very high179 Ų17967.6 Ų67.684%0.83635%0.346SS*.THydrogen-bonded Turntrans57.733.1175.4-56.1178.5-173.500113.8L344 E345 Q350L344-E348 PolarHBondContact O-N 3.34Å; E345-E348 PolarHBondContact O-N 3Å; E348-Q350 PolarHBondContact O-N 3.48Å
349G85.6Confident92.6Very high50 Ų5063.2 Ų63.252%0.51532%0.322SS..THydrogen-bonded Turntrans74.86.9-178.700000114.7L344 Q347L344-G349 WeakPolarHBondContact O-CA 3.47Å; L344-G349 PolarHBondContact O-N 2.65Å; Q347-G349 PolarHBondContact O-N 3.22Å
350Q87.3Confident92.6Very high120 Ų12064.3 Ų64.356%0.56133%0.332SS*.  trans-96.1131.5-174-60.2-63.6-4000112.6Q347 E348 T352 S355Q347-Q350 WeakPolarHBondContact O-CB 3.49Å; Q347-Q350 PolarHBondContact O-N 3.32Å; E348-Q350 PolarHBondContact O-N 3.48Å; Q350-T352 HydrophobicContact CB-CG2 3.82Å; Q350-T352 PolarHBondContact O-N 3.29Å; Q350-T352 VanDerWaalsContact O-N 3.14Å; Q350-S355 PolarHBondContact O-OG 3.04Å
351L91.3Very high92.6Very high18 Ų1864.9 Ų64.99%0.09433%0.334CS..  trans-77.696.1164.3-77.7171.1000109F146 I150 L344 I356 M359 A466 Q467F146-L351 VanDerWaalsContact CE1-O 3.26Å; F146-L351 WeakPolarHBondContact CE1-O 3.18Å; I150-L351 HydrophobicContact CD1-CB 3.72Å; L344-L351 HydrophobicContact CD2-CD2 3.69Å; L344-L351 HydrophobicContact CD2-CG 3.82Å; L351-I356 HydrophobicContact CD2-CD1 3.79Å; L351-I356 HydrophobicContact CD2-CG1 4.45Å; L351-M359 HydrophobicContact CD2-CE 3.85Å; L351-A466 HydrophobicContact CD2-CB 4.15Å; L351-Q467 HydrophobicContact CD1-CG 3.75Å
352T92Very high92.7Very high44 Ų4461.7 Ų61.727%0.2732%0.319SS..  trans-104.5166.3176.972.10000110.6F146 Q350 E354 S355 I356F146-T352 VanDerWaalsContact CE1-C 3.45Å; F146-T352 VanDerWaalsContact CZ-O 3.25Å; F146-T352 WeakPolarHBondContact CZ-O 3.26Å; Q350-T352 HydrophobicContact CB-CG2 3.82Å; Q350-T352 PolarHBondContact O-N 3.29Å; Q350-T352 VanDerWaalsContact O-N 3.14Å; T352-E354 PolarHBondContact O-N 3.34Å; T352-E354 PolarHBondContact OG1-N 3.27Å; T352-S355 PolarHBondContact N-OG 3.17Å; T352-S355 PolarHBondContact O-N 2.67Å; T352-S355 PolarHBondContact O-OG 3.11Å; T352-S355 PolarHBondContact OG1-N 2.97Å; T352-I356 PolarHBondContact O-N 3.47Å; T352-I356 VanDerWaalsContact O-N 3.13Å
353Y89.7Confident92.8Very high63 Ų6360.1 Ų60.125%0.24731%0.308CS..Hα-helixtrans-60.1-33.2176.4-170.1-94.5000111.9M142 K143 F146 K357 M459M142-Y353 HydrophobicContact CB-CE2 4.08Å; K143-Y353 HydrophobicContact CB-CD2 4.41Å; K143-Y353 HydrophobicContact CB-CE2 4.49Å; K143-Y353 HydrophobicContact CG-CG 4.36Å; F146-Y353 HydrophobicContact CB-CD2 4.13Å; F146-Y353 AromaticContact CD2-CD2 3.59Å; F146-Y353 HydrophobicContact CD2-CD2 3.59Å; F146-Y353 HydrophobicContact CD2-CE2 4.49Å; F146-Y353 HydrophobicContact CD2-CG 4.38Å; F146-Y353 HydrophobicContact CE2-CD2 4.23Å; F146-Y353 HydrophobicContact CG-CD2 4Å; F146-Y353 VanDerWaalsContact CZ-N 3.34Å; Y353-K357 PolarHBondContact O-N 3.34Å; Y353-M459 HydrophobicContact CE2-SD 4.38Å
354E89.3Confident92.9Very high88 Ų8860.3 Ų60.341%0.41131%0.308SS..Hα-helixtrans-77.8-37.1177.7-56.7-52.4144.800111.8T352 I356 K357 A358T352-E354 PolarHBondContact O-N 3.34Å; T352-E354 PolarHBondContact OG1-N 3.27Å; E354-I356 PolarHBondContact O-N 3.45Å; E354-K357 WeakPolarHBondContact O-CB 3.22Å; E354-K357 PolarHBondContact O-N 2.87Å; E354-A358 PolarHBondContact O-N 3.12Å
355S92.4Very high93.1Very high0 Ų059.3 Ų59.30%030%0.303CS..Hα-helixtrans-64.2-42.3177.878.10000111.7V343 Q350 T352 K357 A358 M359V343-S355 WeakPolarHBondContact CG1-O 3.23Å; Q350-S355 PolarHBondContact O-OG 3.04Å; T352-S355 PolarHBondContact N-OG 3.17Å; T352-S355 PolarHBondContact O-N 2.67Å; T352-S355 PolarHBondContact O-OG 3.11Å; T352-S355 PolarHBondContact OG1-N 2.97Å; S355-K357 PolarHBondContact O-N 3.37Å; S355-A358 PolarHBondContact O-N 2.91Å; S355-A358 VanDerWaalsContact O-N 3.09Å; S355-M359 WeakPolarHBondContact O-CG 3.28Å; S355-M359 PolarHBondContact O-N 3.38Å
356I93.2Very high93.3Very high6 Ų652.6 Ų52.63%0.03127%0.272CS..Hα-helixtrans-60.2-32.5172.6-69.9-62.4000112.7F146 L351 T352 E354 M359 R462 I463 A466F146-I356 HydrophobicContact CE2-CB 4.41Å; F146-I356 HydrophobicContact CE2-CG1 3.91Å; F146-I356 HydrophobicContact CZ-CG1 4.02Å; L351-I356 HydrophobicContact CD2-CD1 3.79Å; L351-I356 HydrophobicContact CD2-CG1 4.45Å; T352-I356 PolarHBondContact O-N 3.47Å; T352-I356 VanDerWaalsContact O-N 3.13Å; E354-I356 PolarHBondContact O-N 3.45Å; I356-M359 HydrophobicContact CD1-CE 4.36Å; I356-M359 HydrophobicContact CD1-SD 3.98Å; I356-R462 HydrophobicContact CD1-CB 4.26Å; I356-R462 HydrophobicContact CG2-CB 3.67Å; I356-R462 VanDerWaalsContact CG2-CD 3.43Å; I356-R462 HydrophobicContact CG2-CG 4.17Å; I356-I463 HydrophobicContact CD1-CG1 3.99Å; I356-I463 HydrophobicContact CG1-CG1 4.06Å; I356-A466 HydrophobicContact CD1-CB 4.3Å
357K90Very high93.6Very high142 Ų14246.9 Ų46.962%0.61725%0.247SC*.Hα-helixtrans-75.5-30.5177.7-173.7-175.7170.9-163.20112Y353 E354 S355Y353-K357 PolarHBondContact O-N 3.34Å; E354-K357 WeakPolarHBondContact O-CB 3.22Å; E354-K357 PolarHBondContact O-N 2.87Å; S355-K357 PolarHBondContact O-N 3.37Å
358A93.4Very high94.1Very high48 Ų4843.3 Ų43.340%0.39723%0.23SC..Hα-helixtrans-73.5-23.5178.200000113.5V343 E354 S355 T360V343-A358 HydrophobicContact CG1-CB 3.98Å; V343-A358 HydrophobicContact CG2-CB 4.36Å; E354-A358 PolarHBondContact O-N 3.12Å; S355-A358 PolarHBondContact O-N 2.91Å; S355-A358 VanDerWaalsContact O-N 3.09Å; A358-T360 VanDerWaalsContact C-N 3.35Å; A358-T360 PolarHBondContact O-N 2.84Å; A358-T360 PolarHBondContact O-OG1 2.96Å
359M96.3Very high94.5Very high0 Ų034.8 Ų34.80%019%0.191CC..  trans-70.283.4177.6-63.7170.9-173.500111.9E339 I340 V343 L344 L351 S355 I356 L362 N363 A466E339-M359 VanDerWaalsContact OE2-C 3.3Å; E339-M359 WeakPolarHBondContact OE2-CA 3.28Å; I340-M359 HydrophobicContact CG1-SD 4.14Å; I340-M359 HydrophobicContact CG2-CE 4.02Å; V343-M359 HydrophobicContact CB-CE 4.41Å; V343-M359 HydrophobicContact CB-CG 4.3Å; V343-M359 HydrophobicContact CG1-CE 4.01Å; V343-M359 HydrophobicContact CG1-CG 4.05Å; V343-M359 HydrophobicContact CG2-CG 4.35Å; L344-M359 HydrophobicContact CG-CE 4.44Å; L351-M359 HydrophobicContact CD2-CE 3.85Å; S355-M359 WeakPolarHBondContact O-CG 3.28Å; S355-M359 PolarHBondContact O-N 3.38Å; I356-M359 HydrophobicContact CD1-CE 4.36Å; I356-M359 HydrophobicContact CD1-SD 3.98Å; M359-L362 HydrophobicContact CB-CB 3.77Å; M359-L362 HydrophobicContact CB-CD2 4.05Å; M359-L362 HydrophobicContact SD-CD2 3.71Å; M359-N363 PolarHBondContact O-N 3.15Å; M359-N363 PolarHBondContact O-ND2 3.08Å; M359-A466 HydrophobicContact CE-CB 4.37Å; M359-A466 HydrophobicContact SD-CB 4.06Å
360T96.9Very high95.1Very high63 Ų6332.9 Ų32.939%0.38717%0.169SC..Hα-helixtrans-76.3-43.4-172.1-62.30000111.6E339 A358 N363 Q364 P430E339-T360 PolarHBondContact OE1-N 2.83Å; E339-T360 PolarHBondContact OE2-N 2.71Å; A358-T360 VanDerWaalsContact C-N 3.35Å; A358-T360 PolarHBondContact O-N 2.84Å; A358-T360 PolarHBondContact O-OG1 2.96Å; T360-N363 VanDerWaalsContact O-CB 3.29Å; T360-N363 WeakPolarHBondContact O-CB 3.48Å; T360-N363 PolarHBondContact O-N 3.31Å; T360-N363 VanDerWaalsContact O-N 3.16Å; T360-Q364 WeakPolarHBondContact O-CG 3.24Å; T360-Q364 PolarHBondContact O-N 3.1Å; T360-Q364 VanDerWaalsContact O-N 3.15Å; T360-P430 HydrophobicContact CG2-CG 4.38Å
361Y98.6Very high95.7Very high12 Ų1227.2 Ų27.25%0.04714%0.142CC..Hα-helixtrans-68.7-35.7177.2-165.8-114.6000111.7I332 R335 L336 E339 N363 Q364 V365 P425I332-Y361 HydrophobicContact CG2-CE1 4.21Å; R335-Y361 HydrophobicContact CB-CE1 4.02Å; R335-Y361 HydrophobicContact CG-CD1 4.06Å; R335-Y361 HydrophobicContact CG-CE1 3.73Å; L336-Y361 HydrophobicContact CB-CD1 4.03Å; L336-Y361 HydrophobicContact CB-CE1 4.17Å; L336-Y361 HydrophobicContact CD1-CD1 4.15Å; E339-Y361 VanDerWaalsContact CD-CB 3.44Å; E339-Y361 VanDerWaalsContact CD-N 3.26Å; E339-Y361 WeakPolarHBondContact OE1-CB 3.45Å; E339-Y361 PolarHBondContact OE1-N 2.99Å; E339-Y361 WeakPolarHBondContact OE2-CA 3.19Å; E339-Y361 WeakPolarHBondContact OE2-CB 3.4Å; E339-Y361 PolarHBondContact OE2-N 3.05Å; Y361-N363 PolarHBondContact O-N 3.28Å; Y361-Q364 HydrophobicContact CD2-CB 4.33Å; Y361-Q364 WeakPolarHBondContact O-CA 3.4Å; Y361-Q364 WeakPolarHBondContact O-CB 3.28Å; Y361-Q364 PolarHBondContact O-N 3.22Å; Y361-V365 HydrophobicContact CD1-CG2 4.07Å; Y361-V365 HydrophobicContact CE1-CG2 3.89Å; Y361-V365 WeakPolarHBondContact O-CG2 3.48Å; Y361-V365 PolarHBondContact O-N 2.84Å; Y361-P425 HydrophobicContact CE2-CB 3.75Å; Y361-P425 HydrophobicContact CE2-CG 4.45Å
362L98.6Very high96Very high0 Ų026.6 Ų26.60%014%0.139CC..Hα-helixtrans-55-40.7168.6-179.458.4000111.8L336 E339 M359 Q364 V365 I366 R462 L465 A466L336-L362 VanDerWaalsContact CD1-CA 3.47Å; L336-L362 HydrophobicContact CD1-CB 3.7Å; L336-L362 HydrophobicContact CD1-CD1 3.95Å; L336-L362 HydrophobicContact CD1-CG 4.4Å; L336-L362 HydrophobicContact CD2-CD1 4.18Å; E339-L362 PolarHBondContact OE2-N 2.88Å; M359-L362 HydrophobicContact CB-CB 3.77Å; M359-L362 HydrophobicContact CB-CD2 4.05Å; M359-L362 HydrophobicContact SD-CD2 3.71Å; L362-Q364 VanDerWaalsContact C-N 3.33Å; L362-V365 PolarHBondContact O-N 3.28Å; L362-I366 HydrophobicContact CD1-CD1 3.98Å; L362-I366 HydrophobicContact CD1-CG1 4.28Å; L362-I366 HydrophobicContact CG-CD1 3.97Å; L362-I366 VanDerWaalsContact O-CG1 3.27Å; L362-I366 WeakPolarHBondContact O-CG1 3.07Å; L362-I366 PolarHBondContact O-N 2.89Å; L362-R462 HydrophobicContact CD2-CB 3.93Å; L362-R462 HydrophobicContact CD2-CG 4.1Å; L362-R462 HydrophobicContact CG-CG 4.42Å; L362-L465 HydrophobicContact CD1-CB 3.98Å; L362-L465 HydrophobicContact CD1-CD1 4.26Å; L362-A466 HydrophobicContact CD2-CB 4.34Å
363N97.9Very high96.3Very high37 Ų3725.1 Ų25.120%0.19813%0.128CC..Hα-helixtrans-65-37.9174.9-69.7-45.5000112.7M359 T360 Y361 S367 R462M359-N363 PolarHBondContact O-N 3.15Å; M359-N363 PolarHBondContact O-ND2 3.08Å; T360-N363 VanDerWaalsContact O-CB 3.29Å; T360-N363 WeakPolarHBondContact O-CB 3.48Å; T360-N363 PolarHBondContact O-N 3.31Å; T360-N363 VanDerWaalsContact O-N 3.16Å; Y361-N363 PolarHBondContact O-N 3.28Å; N363-S367 VanDerWaalsContact O-CB 3.28Å; N363-S367 WeakPolarHBondContact O-CB 3.43Å; N363-S367 PolarHBondContact O-N 2.89Å; N363-S367 PolarHBondContact O-OG 2.98Å; N363-R462 PolarHBondContact OD1-NE 2.93Å; N363-R462 PolarHBondContact OD1-NH2 3.21Å
364Q98.7Very high96.7Very high15 Ų1522.1 Ų22.17%0.0712%0.117CC..Hα-helixtrans-64-48.7176.7-65.1-179.734.600111.1T360 Y361 L362 I366 S367 E368 P425 F428T360-Q364 WeakPolarHBondContact O-CG 3.24Å; T360-Q364 PolarHBondContact O-N 3.1Å; T360-Q364 VanDerWaalsContact O-N 3.15Å; Y361-Q364 HydrophobicContact CD2-CB 4.33Å; Y361-Q364 WeakPolarHBondContact O-CA 3.4Å; Y361-Q364 WeakPolarHBondContact O-CB 3.28Å; Y361-Q364 PolarHBondContact O-N 3.22Å; L362-Q364 VanDerWaalsContact C-N 3.33Å; Q364-I366 PolarHBondContact O-N 2.73Å; Q364-S367 PolarHBondContact O-N 2.71Å; Q364-S367 VanDerWaalsContact O-N 3.14Å; Q364-E368 WeakPolarHBondContact O-CB 3.4Å; Q364-E368 PolarHBondContact O-N 2.75Å; Q364-P425 HydrophobicContact CB-CB 4.03Å; Q364-P425 WeakPolarHBondContact CB-O 3.46Å; Q364-P425 PolarHBondContact OE1-O 3.36Å; Q364-F428 HydrophobicContact CB-CB 4.11Å; Q364-F428 HydrophobicContact CG-CB 4.11Å; Q364-F428 WeakPolarHBondContact CG-O 3.5Å
365V98.9Very high97Very high0 Ų018.5 Ų18.50%010%0.1CC..Hα-helixtrans-59.7-45.5177.8174.40000111.3C322 L326 I332 L336 Y361 L362 S367 T369 F423 P425C322-V365 VanDerWaalsContact SG-CG1 3.59Å; L326-V365 HydrophobicContact CD1-CG1 4.41Å; L326-V365 HydrophobicContact CD2-CG1 3.96Å; L326-V365 HydrophobicContact CG-CG1 4.32Å; I332-V365 HydrophobicContact CG2-CG2 4.11Å; L336-V365 HydrophobicContact CD2-CG1 4.29Å; L336-V365 HydrophobicContact CD2-CG2 4.36Å; Y361-V365 HydrophobicContact CD1-CG2 4.07Å; Y361-V365 HydrophobicContact CE1-CG2 3.89Å; Y361-V365 WeakPolarHBondContact O-CG2 3.48Å; Y361-V365 PolarHBondContact O-N 2.84Å; L362-V365 PolarHBondContact O-N 3.28Å; V365-S367 VanDerWaalsContact C-N 3.33Å; V365-S367 PolarHBondContact O-N 3.18Å; V365-T369 WeakPolarHBondContact O-CB 3.28Å; V365-T369 PolarHBondContact O-N 3.3Å; V365-T369 PolarHBondContact O-OG1 3.49Å; V365-F423 HydrophobicContact CG1-CE1 4.35Å; V365-F423 HydrophobicContact CG1-CZ 4.02Å; V365-P425 HydrophobicContact CG2-CB 4.07Å; V365-P425 HydrophobicContact CG2-CG 3.88Å
366I98.7Very high97.2Very high6 Ų621.1 Ų21.13%0.03112%0.116CC..Hα-helixtrans-63.8-40.3176.5-68.7168000110.9T318 L362 Q364 T369 L370 A461 R462 L465T318-I366 HydrophobicContact CG2-CG2 4.28Å; L362-I366 HydrophobicContact CD1-CD1 3.98Å; L362-I366 HydrophobicContact CD1-CG1 4.28Å; L362-I366 HydrophobicContact CG-CD1 3.97Å; L362-I366 VanDerWaalsContact O-CG1 3.27Å; L362-I366 WeakPolarHBondContact O-CG1 3.07Å; L362-I366 PolarHBondContact O-N 2.89Å; Q364-I366 PolarHBondContact O-N 2.73Å; I366-T369 WeakPolarHBondContact O-CB 3.43Å; I366-T369 PolarHBondContact O-N 2.8Å; I366-L370 HydrophobicContact CG2-CD1 4.15Å; I366-L370 WeakPolarHBondContact O-CG 3.34Å; I366-L370 PolarHBondContact O-N 3.32Å; I366-A461 HydrophobicContact CD1-CB 4.5Å; I366-R462 HydrophobicContact CD1-CB 4.48Å; I366-R462 HydrophobicContact CD1-CG 3.64Å; I366-L465 HydrophobicContact CD1-CD1 3.82Å; I366-L465 HydrophobicContact CG1-CD1 3.6Å
367S98.7Very high97.3Very high18 Ų1821 Ų2113%0.12612%0.116CC..Hα-helixtrans-70-38.5-177.7-57.50000112.2N363 Q364 V365 L370 R371 F428 W441N363-S367 VanDerWaalsContact O-CB 3.28Å; N363-S367 WeakPolarHBondContact O-CB 3.43Å; N363-S367 PolarHBondContact O-N 2.89Å; N363-S367 PolarHBondContact O-OG 2.98Å; Q364-S367 PolarHBondContact O-N 2.71Å; Q364-S367 VanDerWaalsContact O-N 3.14Å; V365-S367 VanDerWaalsContact C-N 3.33Å; V365-S367 PolarHBondContact O-N 3.18Å; S367-L370 PolarHBondContact O-N 2.76Å; S367-R371 PolarHBondContact O-N 2.89Å; S367-F428 VanDerWaalsContact CB-CG 3.46Å; S367-W441 PolarHBondContact O-NE1 2.87Å; S367-W441 VanDerWaalsContact O-NE1 3.15Å
368E98.8Very high97.7Very high0 Ų015.4 Ų15.40%09%0.092CC..Hα-helixtrans-66.7-39.2172.6179.663.5175.800111.6Q364 L370 R371 L372 F423 D424 R427 F428Q364-E368 WeakPolarHBondContact O-CB 3.4Å; Q364-E368 PolarHBondContact O-N 2.75Å; E368-L370 VanDerWaalsContact C-N 3.32Å; E368-L370 PolarHBondContact O-N 2.88Å; E368-R371 WeakPolarHBondContact O-CB 3.47Å; E368-R371 PolarHBondContact O-N 2.85Å; E368-R371 IonicContact OE1-CZ 3.44Å; E368-R371 IonicContact OE1-NE 3.33Å; E368-R371 PolarHBondContact OE1-NE 2.67Å; E368-R371 IonicContact OE1-NH2 2.66Å; E368-R371 PolarHBondContact OE1-NH2 2.81Å; E368-R371 WeakPolarHBondContact OE2-CD 3.43Å; E368-R371 IonicContact OE2-CZ 2.72Å; E368-R371 IonicContact OE2-NE 2.7Å; E368-R371 PolarHBondContact OE2-NE 2.93Å; E368-R371 IonicContact OE2-NH2 3.95Å; E368-L372 PolarHBondContact O-N 2.74Å; E368-F423 HydrophobicContact CB-CD2 4.48Å; E368-F423 HydrophobicContact CB-CE2 4.03Å; E368-F423 HydrophobicContact CB-CZ 4.29Å; E368-F423 HydrophobicContact CG-CD1 4.5Å; E368-F423 HydrophobicContact CG-CD2 3.54Å; E368-F423 HydrophobicContact CG-CE2 3.58Å; E368-F423 HydrophobicContact CG-CG 4.04Å; E368-F423 HydrophobicContact CG-CZ 4.1Å; E368-D424 VanDerWaalsContact CD-O 3.31Å; E368-D424 PolarHBondContact OE1-N 3.34Å; E368-R427 IonicContact OE1-NE 2.87Å; E368-R427 WeakPolarHBondContact OE2-CD 3.28Å; E368-F428 HydrophobicContact CB-CD2 3.94Å; E368-F428 HydrophobicContact CB-CE2 4.07Å; E368-F428 VanDerWaalsContact OE2-CE2 3.25Å; E368-F428 WeakPolarHBondContact OE2-CE2 3.37Å
369T98.8Very high97.9Very high1 Ų114 Ų141%0.0068%0.077CC..Hα-helixtrans-57.1-47171.8-570000110.9C322 V365 I366 R371 L372 Y373C322-T369 HydrophobicContact CB-CG2 3.94Å; V365-T369 WeakPolarHBondContact O-CB 3.28Å; V365-T369 PolarHBondContact O-N 3.3Å; V365-T369 PolarHBondContact O-OG1 3.49Å; I366-T369 WeakPolarHBondContact O-CB 3.43Å; I366-T369 PolarHBondContact O-N 2.8Å; T369-R371 VanDerWaalsContact C-N 3.31Å; T369-R371 PolarHBondContact O-N 3.08Å; T369-L372 PolarHBondContact O-N 3.03Å; T369-Y373 HydrophobicContact CG2-CD2 4.13Å; T369-Y373 WeakPolarHBondContact O-CA 3.48Å; T369-Y373 WeakPolarHBondContact O-CB 3.27Å; T369-Y373 WeakPolarHBondContact O-CD2 3.28Å; T369-Y373 PolarHBondContact O-N 3.44Å
370L98.6Very high97.9Very high10 Ų1015.1 Ų15.15%0.0528%0.083CC..Hα-helixtrans-70.6-24.8180-75.2171.8000113.7T318 I366 S367 E368 T374 W441 P443 F444T318-L370 HydrophobicContact CG2-CD2 3.91Å; T318-L370 HydrophobicContact CG2-CG 4.04Å; T318-L370 WeakPolarHBondContact OG1-CD2 3.5Å; I366-L370 HydrophobicContact CG2-CD1 4.15Å; I366-L370 WeakPolarHBondContact O-CG 3.34Å; I366-L370 PolarHBondContact O-N 3.32Å; S367-L370 PolarHBondContact O-N 2.76Å; E368-L370 VanDerWaalsContact C-N 3.32Å; E368-L370 PolarHBondContact O-N 2.88Å; L370-T374 PolarHBondContact O-OG1 3.06Å; L370-W441 HydrophobicContact CB-CZ2 4.22Å; L370-W441 HydrophobicContact CD1-CZ2 4.2Å; L370-P443 HydrophobicContact CB-CB 3.76Å; L370-P443 HydrophobicContact CB-CG 3.98Å; L370-P443 HydrophobicContact CD1-CB 4.25Å; L370-P443 HydrophobicContact CD1-CG 4.27Å; L370-P443 HydrophobicContact CD2-CB 4.22Å; L370-P443 HydrophobicContact CG-CB 4.31Å; L370-F444 HydrophobicContact CD1-CE2 3.62Å; L370-F444 HydrophobicContact CD1-CZ 3.76Å
371R98.5Very high97.9Very high0 Ų012.1 Ų12.10%06%0.064CC..Hα-helixtrans-67.5-57.7169.3-174.2-163.465.979.4-1.8109.4S367 E368 T369 Y373 T374 H411 Y417 P420 T422 F428S367-R371 PolarHBondContact O-N 2.89Å; E368-R371 WeakPolarHBondContact O-CB 3.47Å; E368-R371 PolarHBondContact O-N 2.85Å; E368-R371 IonicContact OE1-CZ 3.44Å; E368-R371 IonicContact OE1-NE 3.33Å; E368-R371 PolarHBondContact OE1-NE 2.67Å; E368-R371 IonicContact OE1-NH2 2.66Å; E368-R371 PolarHBondContact OE1-NH2 2.81Å; E368-R371 WeakPolarHBondContact OE2-CD 3.43Å; E368-R371 IonicContact OE2-CZ 2.72Å; E368-R371 IonicContact OE2-NE 2.7Å; E368-R371 PolarHBondContact OE2-NE 2.93Å; E368-R371 IonicContact OE2-NH2 3.95Å; T369-R371 VanDerWaalsContact C-N 3.31Å; T369-R371 PolarHBondContact O-N 3.08Å; R371-Y373 PolarHBondContact O-N 3.27Å; R371-T374 PolarHBondContact O-OG1 2.85Å; R371-T374 VanDerWaalsContact O-OG1 3.08Å; R371-H411 HydrophobicContact CG-CB 3.73Å; R371-H411 WeakPolarHBondContact CG-O 3.45Å; R371-H411 PolarHBondContact NH1-O 3.22Å; R371-H411 VanDerWaalsContact O-CB 3.27Å; R371-H411 WeakPolarHBondContact O-CB 3.22Å; R371-H411 PolarHBondContact O-ND1 3.23Å; R371-Y417 VanDerWaalsContact CD-CE1 3.43Å; R371-Y417 HydrophobicContact CG-CE1 4.25Å; R371-Y417 HydrophobicContact CG-CE2 4.44Å; R371-P420 VanDerWaalsContact CZ-O 3.28Å; R371-P420 PolarHBondContact NH1-O 3.36Å; R371-P420 PolarHBondContact NH2-O 3.35Å; R371-T422 PolarHBondContact NH2-O 2.79Å; R371-F428 HydrophobicContact CB-CE2 4.15Å; R371-F428 HydrophobicContact CB-CZ 4.04Å
372L98.1Very high97.9Very high5 Ų513 Ų133%0.0267%0.068CC..Hα-helixtrans-67.9-36.4-173.7-167.162.3000112.4E368 T369 R412 P420 F423E368-L372 PolarHBondContact O-N 2.74Å; T369-L372 PolarHBondContact O-N 3.03Å; L372-R412 VanDerWaalsContact CD1-NH2 3.34Å; L372-R412 PolarHBondContact O-NH2 2.77Å; L372-P420 WeakPolarHBondContact CD1-O 3.3Å; L372-F423 HydrophobicContact CD2-CB 4.32Å; L372-F423 HydrophobicContact CD2-CD2 4.01Å
373Y97.8Very high97.9Very high13 Ų1313 Ų135%0.0517%0.069CC..SBendtrans-115.573.7-179.6-58.5-86.9000111.3Y321 Y324 E325 T369 R371 L375 L484 Y486 L493Y321-Y373 AromaticContact CD1-CD1 3.74Å; Y321-Y373 HydrophobicContact CD1-CD1 3.74Å; Y321-Y373 AromaticContact CD1-CE1 3.97Å; Y321-Y373 HydrophobicContact CD1-CE1 3.97Å; Y321-Y373 HydrophobicContact CD1-CG 4.2Å; Y321-Y373 HydrophobicContact CD2-CD1 4Å; Y321-Y373 AromaticContact CD2-CG 3.86Å; Y321-Y373 HydrophobicContact CD2-CG 3.86Å; Y321-Y373 HydrophobicContact CE1-CD1 4.17Å; Y321-Y373 HydrophobicContact CE1-CE1 4.5Å; Y321-Y373 HydrophobicContact CE2-CD1 4.38Å; Y321-Y373 AromaticContact CG-CD1 3.68Å; Y321-Y373 HydrophobicContact CG-CD1 3.68Å; Y321-Y373 HydrophobicContact CG-CD2 4.22Å; Y321-Y373 HydrophobicContact CG-CE1 4.25Å; Y321-Y373 AromaticContact CG-CG 3.66Å; Y321-Y373 HydrophobicContact CG-CG 3.66Å; Y324-Y373 WeakPolarHBondContact CD1-OH 3.1Å; Y324-Y373 WeakPolarHBondContact CE1-OH 3.22Å; E325-Y373 HydrophobicContact CG-CE2 3.58Å; E325-Y373 VanDerWaalsContact OE1-CE2 3.29Å; E325-Y373 WeakPolarHBondContact OE1-CE2 3.22Å; E325-Y373 VanDerWaalsContact OE1-CZ 3.25Å; E325-Y373 PolarHBondContact OE1-OH 3.15Å; T369-Y373 HydrophobicContact CG2-CD2 4.13Å; T369-Y373 WeakPolarHBondContact O-CA 3.48Å; T369-Y373 WeakPolarHBondContact O-CB 3.27Å; T369-Y373 WeakPolarHBondContact O-CD2 3.28Å; T369-Y373 PolarHBondContact O-N 3.44Å; R371-Y373 PolarHBondContact O-N 3.27Å; Y373-L375 PolarHBondContact O-N 3.02Å; Y373-L484 HydrophobicContact CE1-CD1 4.21Å; Y373-Y486 WeakPolarHBondContact CD1-OH 3.4Å; Y373-Y486 WeakPolarHBondContact CE1-OH 3.39Å; Y373-L493 HydrophobicContact CD1-CD2 4.29Å
374T98Very high97.9Very high1 Ų113.6 Ų13.61%0.0067%0.072CC..  trans-73.8101.1-178.8-53.10000110.8L370 R371 V376 A407 C408 H411L370-T374 PolarHBondContact O-OG1 3.06Å; R371-T374 PolarHBondContact O-OG1 2.85Å; R371-T374 VanDerWaalsContact O-OG1 3.08Å; T374-V376 WeakPolarHBondContact CG2-O 3.48Å; T374-V376 PolarHBondContact O-N 3.09Å; T374-A407 HydrophobicContact CG2-CB 4.18Å; T374-C408 HydrophobicContact CG2-CB 4.26Å; T374-H411 PolarHBondContact OG1-ND1 3.33Å
375L96.7Very high97.9Very high12 Ų1217.2 Ų17.26%0.0639%0.091CC..SBendtrans-61.8-45.9-172.3-64.7-177.2000114.2T314 T318 Y321 Y373 P377 V492 L493T314-L375 WeakPolarHBondContact O-CD1 3.21Å; T318-L375 WeakPolarHBondContact OG1-CD1 3.42Å; Y321-L375 HydrophobicContact CD2-CD2 3.99Å; Y321-L375 HydrophobicContact CE2-CD2 3.53Å; Y373-L375 PolarHBondContact O-N 3.02Å; L375-P377 WeakPolarHBondContact O-CD 3.46Å; L375-V492 CarbonylContact O-C 3.59Å; L375-V492 VanDerWaalsContact O-CA 3.28Å; L375-V492 WeakPolarHBondContact O-CA 3.04Å; L375-V492 WeakPolarHBondContact O-CB 3.32Å; L375-L493 HydrophobicContact CD2-CB 4.41Å; L375-L493 PolarHBondContact O-N 2.97Å
376V96Very high97.9Very high54 Ų5422.2 Ų22.233%0.32712%0.118SC..SBendtrans-102.998.4172-1790000106.3T374 H378 V492T374-V376 WeakPolarHBondContact CG2-O 3.48Å; T374-V376 PolarHBondContact O-N 3.09Å; V376-H378 WeakPolarHBondContact CG1-O 3.46Å; V376-H378 PolarHBondContact O-N 3.22Å; V376-V492 HydrophobicContact CG2-CG1 4.37Å
377P96.3Very high97.9Very high4 Ų422.9 Ų22.93%0.02612%0.12CC..  trans-70.2-19.2-163.825.8-33.8000113.4M52 F56 L375 P406 A407 C408M52-P377 HydrophobicContact CB-CG 3.57Å; F56-P377 HydrophobicContact CD2-CB 4.32Å; F56-P377 HydrophobicContact CE2-CG 4.44Å; L375-P377 WeakPolarHBondContact O-CD 3.46Å; P377-P406 CarbonylContact O-C 3.41Å; P377-A407 PolarHBondContact O-N 3.14Å; P377-A407 VanDerWaalsContact O-N 3.1Å; P377-C408 HydrophobicContact CB-CB 3.76Å; P377-C408 WeakPolarHBondContact O-CB 3.25Å; P377-C408 PolarHBondContact O-N 2.97Å; P377-C408 PolarHBondContact O-SG 3.5Å
378H97Very high97.9Very high24 Ų2425.9 Ų25.911%0.11114%0.138CC..  trans-141.5152.2-179.968.9-61000112.6F56 V376 E380 I404 I405F56-H378 HydrophobicContact CD2-CB 3.87Å; F56-H378 HydrophobicContact CE2-CB 3.57Å; F56-H378 AromaticContact CE2-CE1 3.86Å; F56-H378 AromaticContact CE2-CG 3.31Å; F56-H378 AromaticContact CE2-ND1 3.22Å; F56-H378 WeakPolarHBondContact CE2-ND1 3.5Å; F56-H378 HydrophobicContact CZ-CB 4.1Å; F56-H378 AromaticContact CZ-CD2 3.85Å; F56-H378 AromaticContact CZ-CG 3.63Å; F56-H378 AromaticContact CZ-ND1 3.78Å; V376-H378 WeakPolarHBondContact CG1-O 3.46Å; V376-H378 PolarHBondContact O-N 3.22Å; H378-E380 IonicContact CD2-OE1 3.83Å; H378-E380 IonicContact CE1-OE1 3.98Å; H378-E380 IonicContact NE2-OE1 2.66Å; H378-E380 PolarHBondContact NE2-OE1 3.45Å; H378-I404 HydrophobicContact CB-CG2 3.97Å; H378-I405 CarbonylContact C-O 3.58Å; H378-I405 VanDerWaalsContact CA-O 3.25Å; H378-I405 WeakPolarHBondContact CA-O 3.46Å
379L97.8Very high97.8Very high19 Ų1926 Ų2610%0.09914%0.139CC..EExtended strand (participates in β ladder)trans-103.2139.2169.7-48.6174.5000109.4L93 I405 L442L93-L379 HydrophobicContact CD1-CD1 3.98Å; L93-L379 HydrophobicContact CD2-CD1 4.02Å; L379-I405 HydrophobicContact CB-CB 4.2Å; L379-I405 PolarHBondContact N-O 3.09Å; L379-I405 PolarHBondContact O-N 3.17Å; L379-L442 HydrophobicContact CD1-CB 4.31Å; L379-L442 HydrophobicContact CD1-CD1 4.07Å; L379-L442 HydrophobicContact CD1-CD2 4.16Å; L379-L442 HydrophobicContact CD1-CG 4.44Å
380E96.5Very high97.7Very high23 Ų2329.1 Ų29.111%0.10716%0.158CC..EExtended strand (participates in β ladder)trans-109.2136.2179.8-73.7175.4163.100110.9R103 Q105 H378 V403R103-E380 WeakPolarHBondContact CG-O 3.39Å; Q105-E380 PolarHBondContact NE2-OE2 3.39Å; H378-E380 IonicContact CD2-OE1 3.83Å; H378-E380 IonicContact CE1-OE1 3.98Å; H378-E380 IonicContact NE2-OE1 2.66Å; H378-E380 PolarHBondContact NE2-OE1 3.45Å; E380-V403 WeakPolarHBondContact CA-O 3.36Å
381R97.9Very high97.5Very high1 Ų131.5 Ų31.50%0.00419%0.185CC..EExtended strand (participates in β ladder)trans-136.8171.2169.8-62.1-68.1-178.7-81.2-3109.5I92 L93 F100 D102 Q402 V403 R449I92-R381 HydrophobicContact CG2-CB 4.09Å; I92-R381 HydrophobicContact CG2-CG 3.89Å; L93-R381 HydrophobicContact CD2-CG 4.44Å; F100-R381 HydrophobicContact CB-CB 4.11Å; F100-R381 HydrophobicContact CB-CG 4.45Å; F100-R381 HydrophobicContact CD1-CB 4.43Å; F100-R381 WeakPolarHBondContact O-CD 3.23Å; D102-R381 CarbonylContact O-C 3.4Å; D102-R381 VanDerWaalsContact O-C 3.29Å; D102-R381 VanDerWaalsContact O-CA 3.28Å; D102-R381 WeakPolarHBondContact O-CA 3.27Å; R381-Q402 CarbonylContact O-C 2.97Å; R381-Q402 PolarHBondContact O-NE2 2.89Å; R381-V403 HydrophobicContact CB-CB 4.06Å; R381-V403 PolarHBondContact N-O 3.22Å; R381-V403 PolarHBondContact O-N 3.19Å; R381-R449 VanDerWaalsContact NH2-CB 3.33Å
382K97.7Very high97.4Very high29 Ų2934.7 Ų34.713%0.12620%0.2CC..EExtended strand (participates in β ladder)trans-141.6128.3177-178.6-178.6175.6-177.10109.7F100 D102 L384 G400 T401F100-K382 WeakPolarHBondContact CA-O 3.14Å; D102-K382 HydrophobicContact CB-CB 4.2Å; D102-K382 PolarHBondContact O-N 2.97Å; K382-L384 PolarHBondContact O-N 3.4Å; K382-G400 WeakPolarHBondContact CE-O 3.36Å; K382-T401 WeakPolarHBondContact CA-O 3.36Å
383A98.5Very high97.2Very high1 Ų141.4 Ų41.41%0.00823%0.232CC..  trans-63.9124.117500000110.5N99 F100 I397 G400 T401N99-A383 CarbonylContact O-C 3.59Å; F100-A383 HydrophobicContact CD1-CB 4.34Å; F100-A383 HydrophobicContact CE1-CB 3.83Å; A383-I397 HydrophobicContact CB-CG2 3.9Å; A383-G400 PolarHBondContact O-N 3.35Å; A383-T401 PolarHBondContact N-O 2.66Å; A383-T401 VanDerWaalsContact N-O 3.08Å
384L98.2Very high97Very high50 Ų5050.3 Ų50.326%0.26227%0.27SS..SBendtrans-86.1-30.4177.2-63.7-174.8000112.1S98 N99 A101 D102 K382 K399S98-L384 WeakPolarHBondContact O-CD1 3.36Å; N99-L384 WeakPolarHBondContact O-CB 3.39Å; N99-L384 WeakPolarHBondContact O-CG 3.35Å; N99-L384 PolarHBondContact O-N 3.04Å; A101-L384 HydrophobicContact CB-CD1 4.29Å; D102-L384 HydrophobicContact CB-CD2 3.91Å; D102-L384 WeakPolarHBondContact OD2-CD2 3.16Å; K382-L384 PolarHBondContact O-N 3.4Å; L384-K399 VanDerWaalsContact O-CD 3.23Å; L384-K399 WeakPolarHBondContact O-CD 3.32Å; L384-K399 WeakPolarHBondContact O-CE 3.46Å; L384-K399 VanDerWaalsContact O-CG 3.26Å; L384-K399 WeakPolarHBondContact O-CG 3.3Å
385N98.5Very high97Very high90 Ų9051 Ų5148%0.48127%0.274SS..SBendtrans-136.7163.2172.3-51.1-72.8000109.3N99 Y387N99-N385 PolarHBondContact ND2-O 3.05Å; N99-N385 WeakPolarHBondContact OD1-CA 3.36Å; N99-N385 VanDerWaalsContact OD1-CB 3.28Å; N99-N385 WeakPolarHBondContact OD1-CB 3.42Å; N99-N385 PolarHBondContact OD1-N 3.27Å; N99-N385 PolarHBondContact OD1-ND2 2.91Å; N385-Y387 PolarHBondContact O-N 3.3Å
386D98.5Very high97Very high105 Ų10552.7 Ų52.756%0.56129%0.285SS*.  trans-55.8130.7174.4-65.2-9.7000109.7V396 E398 K399D386-V396 HydrophobicContact CB-CG1 4.07Å; D386-E398 WeakPolarHBondContact OD1-CA 3.26Å; D386-K399 VanDerWaalsContact OD1-CB 3.32Å; D386-K399 WeakPolarHBondContact OD1-CB 3.49Å; D386-K399 PolarHBondContact OD1-N 3.17Å
387Y98.6Very high97.1Very high20 Ų2050.1 Ų50.18%0.07827%0.269CS..EExtended strand (participates in β ladder)trans-122.3107-175.7-178-100.2000110L88 D96 F100 N385 V389 P390 V396 I397L88-Y387 HydrophobicContact CD1-CE1 3.89Å; D96-Y387 HydrophobicContact CB-CE2 3.86Å; D96-Y387 PolarHBondContact OD2-OH 2.91Å; D96-Y387 VanDerWaalsContact OD2-OH 3.09Å; F100-Y387 HydrophobicContact CE2-CD1 4.04Å; F100-Y387 AromaticContact CE2-CD2 3.71Å; F100-Y387 HydrophobicContact CE2-CD2 3.71Å; F100-Y387 HydrophobicContact CE2-CE1 4.23Å; F100-Y387 AromaticContact CE2-CE2 3.92Å; F100-Y387 HydrophobicContact CE2-CE2 3.92Å; F100-Y387 AromaticContact CE2-CG 3.77Å; F100-Y387 HydrophobicContact CE2-CG 3.77Å; F100-Y387 AromaticContact CZ-CD1 3.67Å; F100-Y387 HydrophobicContact CZ-CD1 3.67Å; F100-Y387 AromaticContact CZ-CD2 3.97Å; F100-Y387 HydrophobicContact CZ-CD2 3.97Å; F100-Y387 HydrophobicContact CZ-CE1 4.21Å; F100-Y387 HydrophobicContact CZ-CE2 4.48Å; F100-Y387 AromaticContact CZ-CG 3.52Å; F100-Y387 HydrophobicContact CZ-CG 3.52Å; N385-Y387 PolarHBondContact O-N 3.3Å; Y387-V389 HydrophobicContact CD1-CG2 4.3Å; Y387-V389 HydrophobicContact CE1-CG2 4.29Å; Y387-V389 PolarHBondContact O-N 3.24Å; Y387-P390 VanDerWaalsContact OH-CD 3.26Å; Y387-P390 WeakPolarHBondContact OH-CD 3.49Å; Y387-V396 CarbonylContact O-C 3.53Å; Y387-V396 WeakPolarHBondContact O-CA 3.01Å; Y387-I397 HydrophobicContact CD1-CD1 4.3Å; Y387-I397 PolarHBondContact N-O 2.9Å; Y387-I397 PolarHBondContact O-N 3.14Å
388V98.3Very high97.2Very high81 Ų8153 Ų5349%0.49128%0.282SS..EExtended strand (participates in β ladder)trans-73.4122.4170.8-1760000107.7P390 V396V388-P390 WeakPolarHBondContact O-CD 3.49Å; V388-V396 HydrophobicContact CG2-CG2 4.18Å
389V98Very high97.3Very high4 Ų458.2 Ų58.22%0.02431%0.305CS..EExtended strand (participates in β ladder)trans-68.9124.1-178.3176.50000109.6P69 F70 L88 Y387 G391 H392 L395 I397P69-V389 HydrophobicContact CB-CG1 4.22Å; P69-V389 HydrophobicContact CG-CG1 3.75Å; F70-V389 HydrophobicContact CD1-CG2 3.99Å; F70-V389 HydrophobicContact CE1-CG2 3.72Å; L88-V389 HydrophobicContact CD1-CG1 4.03Å; L88-V389 HydrophobicContact CD1-CG2 4.35Å; L88-V389 HydrophobicContact CD2-CG1 4.15Å; L88-V389 HydrophobicContact CD2-CG2 4.19Å; Y387-V389 HydrophobicContact CD1-CG2 4.3Å; Y387-V389 HydrophobicContact CE1-CG2 4.29Å; Y387-V389 PolarHBondContact O-N 3.24Å; V389-G391 PolarHBondContact O-N 2.89Å; V389-H392 HydrophobicContact CB-CB 4.21Å; V389-H392 HydrophobicContact CG1-CB 4.21Å; V389-H392 CarbonylContact O-C 3.51Å; V389-H392 PolarHBondContact O-N 3.07Å; V389-L395 HydrophobicContact CB-CB 4.39Å; V389-L395 HydrophobicContact CG2-CB 4.37Å; V389-L395 PolarHBondContact N-O 3.19Å; V389-I397 HydrophobicContact CG2-CD1 4.48Å; V389-I397 HydrophobicContact CG2-CG1 4.36Å
390P96.1Very high97.2Very high65 Ų6558.9 Ų58.942%0.42232%0.316SS..THydrogen-bonded Turntrans-55131.2178-27.535.6000111.8Y387 V388 H392Y387-P390 VanDerWaalsContact OH-CD 3.26Å; Y387-P390 WeakPolarHBondContact OH-CD 3.49Å; V388-P390 WeakPolarHBondContact O-CD 3.49Å; P390-H392 PolarHBondContact O-N 3.45Å
391G95.4Very high97.2Very high60 Ų6058.3 Ų58.362%0.61931%0.314SS*.THydrogen-bonded Turntrans78.3-0.5-176.300000115.3V389V389-G391 PolarHBondContact O-N 2.89Å
392H96Very high97.1Very high68 Ų6858.6 Ų58.632%0.31532%0.315SS..EExtended strand (participates in β ladder)trans-139.772.4179.8-61.1-91.3000111V389 P390 K394 L395V389-H392 HydrophobicContact CB-CB 4.21Å; V389-H392 HydrophobicContact CG1-CB 4.21Å; V389-H392 CarbonylContact O-C 3.51Å; V389-H392 PolarHBondContact O-N 3.07Å; P390-H392 PolarHBondContact O-N 3.45Å; H392-K394 PolarHBondContact O-N 2.7Å; H392-L395 HydrophobicContact CB-CB 4.1Å; H392-L395 HydrophobicContact CB-CD1 3.9Å; H392-L395 HydrophobicContact CB-CG 4.11Å; H392-L395 PolarHBondContact O-N 3.13Å
393E92.9Very high97.1Very high146 Ų14657.2 Ų57.268%0.68231%0.309SS*.EExtended strand (participates in β ladder)trans-61.3-22.2-168.5-62.274.2-162.100114.3
394K94.2Very high97.1Very high199 Ų19957.1 Ų57.187%0.86531%0.309SS*.EExtended strand (participates in β ladder)trans-84.3-13.7177.2-63.9-177.4-178.5176.90113.4H392H392-K394 PolarHBondContact O-N 2.7Å
395L97.4Very high97.2Very high16 Ų1654.8 Ų54.88%0.08430%0.297CS..EExtended strand (participates in β ladder)trans-99.6113.9-177.5-61.8-176.9000109.9V31 F68 P69 F70 V389 H392V31-L395 HydrophobicContact CG2-CD2 4.24Å; F68-L395 HydrophobicContact CD1-CD1 3.84Å; F68-L395 HydrophobicContact CD1-CD2 4.16Å; F68-L395 HydrophobicContact CE1-CD1 4.43Å; F68-L395 HydrophobicContact CE1-CD2 4.12Å; P69-L395 VanDerWaalsContact CD-CD1 3.5Å; P69-L395 HydrophobicContact CG-CD1 3.81Å; F70-L395 HydrophobicContact CE1-CB 3.94Å; F70-L395 HydrophobicContact CZ-CB 4.43Å; V389-L395 HydrophobicContact CB-CB 4.39Å; V389-L395 HydrophobicContact CG2-CB 4.37Å; V389-L395 PolarHBondContact N-O 3.19Å; H392-L395 HydrophobicContact CB-CB 4.1Å; H392-L395 HydrophobicContact CB-CD1 3.9Å; H392-L395 HydrophobicContact CB-CG 4.11Å; H392-L395 PolarHBondContact O-N 3.13Å
396V98.1Very high97.1Very high47 Ų4750.5 Ų50.529%0.28527%0.274SS..EExtended strand (participates in β ladder)trans-121.2124.6-178.9-175.10000109.8D386 Y387 V388 E398D386-V396 HydrophobicContact CB-CG1 4.07Å; Y387-V396 CarbonylContact O-C 3.53Å; Y387-V396 WeakPolarHBondContact O-CA 3.01Å; V388-V396 HydrophobicContact CG2-CG2 4.18Å; V396-E398 PolarHBondContact O-N 2.95Å
397I98.4Very high97.1Very high0 Ų045.5 Ų45.50%025%0.247CC..EExtended strand (participates in β ladder)trans-85.199.2165-54.9176.3000106.6F70 A81 I83 I92 F100 A383 Y387 V389 T401 V403F70-I397 HydrophobicContact CD1-CD1 4.33Å; F70-I397 HydrophobicContact CD1-CG1 4.19Å; F70-I397 HydrophobicContact CE1-CD1 4.41Å; F70-I397 HydrophobicContact CE1-CG1 3.79Å; F70-I397 HydrophobicContact CZ-CG1 4.02Å; A81-I397 HydrophobicContact CB-CD1 4.21Å; A81-I397 HydrophobicContact CB-CG1 4.24Å; A81-I397 HydrophobicContact CB-CG2 4.28Å; I83-I397 HydrophobicContact CD1-CD1 4.3Å; I92-I397 HydrophobicContact CD1-CD1 4.13Å; F100-I397 HydrophobicContact CE1-CG2 4.46Å; F100-I397 HydrophobicContact CZ-CD1 4.5Å; A383-I397 HydrophobicContact CB-CG2 3.9Å; Y387-I397 HydrophobicContact CD1-CD1 4.3Å; Y387-I397 PolarHBondContact N-O 2.9Å; Y387-I397 PolarHBondContact O-N 3.14Å; V389-I397 HydrophobicContact CG2-CD1 4.48Å; V389-I397 HydrophobicContact CG2-CG1 4.36Å; I397-T401 HydrophobicContact CG2-CG2 4.11Å; I397-V403 HydrophobicContact CD1-CG2 4.4Å; I397-V403 HydrophobicContact CG2-CG2 4.05Å
398E97.9Very high97.1Very high64 Ų6444.5 Ų44.530%0.29924%0.243SC..  trans-64.1150.3-177.5-65.9-178.6176.800112.2Y25 R29 D386 V396 G400 T401Y25-E398 PolarHBondContact OH-OE2 2.69Å; Y25-E398 VanDerWaalsContact OH-OE2 3.14Å; R29-E398 VanDerWaalsContact CZ-CD 3.5Å; R29-E398 IonicContact CZ-OE1 2.74Å; R29-E398 IonicContact CZ-OE2 2.76Å; R29-E398 VanDerWaalsContact CZ-OE2 3.31Å; R29-E398 IonicContact NE-OE1 2.56Å; R29-E398 PolarHBondContact NE-OE1 2.88Å; R29-E398 IonicContact NE-OE2 3.72Å; R29-E398 PolarHBondContact NE-OE2 3.26Å; R29-E398 IonicContact NH2-OE1 2.84Å; R29-E398 PolarHBondContact NH2-OE1 3.45Å; R29-E398 IonicContact NH2-OE2 2.83Å; R29-E398 PolarHBondContact NH2-OE2 3.37Å; D386-E398 WeakPolarHBondContact OD1-CA 3.26Å; V396-E398 PolarHBondContact O-N 2.95Å; E398-G400 PolarHBondContact O-N 3.42Å; E398-T401 WeakPolarHBondContact O-CB 3.42Å; E398-T401 PolarHBondContact O-N 3.03Å; E398-T401 PolarHBondContact O-OG1 3.03Å
399K98Very high97.1Very high135 Ų13540.7 Ų40.759%0.58722%0.22SC*.THydrogen-bonded Turntrans-47131.5172.2174.8166.9-174.7163.40111.6L384 D386 T401L384-K399 VanDerWaalsContact O-CD 3.23Å; L384-K399 WeakPolarHBondContact O-CD 3.32Å; L384-K399 WeakPolarHBondContact O-CE 3.46Å; L384-K399 VanDerWaalsContact O-CG 3.26Å; L384-K399 WeakPolarHBondContact O-CG 3.3Å; D386-K399 VanDerWaalsContact OD1-CB 3.32Å; D386-K399 WeakPolarHBondContact OD1-CB 3.49Å; D386-K399 PolarHBondContact OD1-N 3.17Å; K399-T401 VanDerWaalsContact C-N 3.27Å; K399-T401 PolarHBondContact O-N 2.63Å
400G95.3Very high97.1Very high33 Ų3340.5 Ų40.534%0.3422%0.219SC..THydrogen-bonded Turntrans88-11.9178.600000114.4K382 A383 E398K382-G400 WeakPolarHBondContact CE-O 3.36Å; A383-G400 PolarHBondContact O-N 3.35Å; E398-G400 PolarHBondContact O-N 3.42Å
401T96.7Very high97.3Very high10 Ų1037.4 Ų37.46%0.06120%0.199CC..  trans-65.4133.3177.7-56.10000110.5Y25 W26 A81 K382 A383 I397 E398 K399Y25-T401 PolarHBondContact OH-OG1 3.09Å; Y25-T401 VanDerWaalsContact OH-OG1 3.1Å; W26-T401 HydrophobicContact CH2-CG2 3.93Å; W26-T401 HydrophobicContact CZ2-CG2 4.06Å; A81-T401 HydrophobicContact CB-CG2 4.32Å; K382-T401 WeakPolarHBondContact CA-O 3.36Å; A383-T401 PolarHBondContact N-O 2.66Å; A383-T401 VanDerWaalsContact N-O 3.08Å; I397-T401 HydrophobicContact CG2-CG2 4.11Å; E398-T401 WeakPolarHBondContact O-CB 3.42Å; E398-T401 PolarHBondContact O-N 3.03Å; E398-T401 PolarHBondContact O-OG1 3.03Å; K399-T401 VanDerWaalsContact C-N 3.27Å; K399-T401 PolarHBondContact O-N 2.63Å
402Q96.8Very high97.4Very high7 Ų736 Ų363%0.03318%0.175CC..EExtended strand (participates in β ladder)trans-70.7143170.9-169.869.540.300109K78 A80 A81 R103 R381K78-Q402 HydrophobicContact CD-CB 4.41Å; A80-Q402 CarbonylContact C-O 3.48Å; A80-Q402 WeakPolarHBondContact CA-O 3.16Å; A80-Q402 HydrophobicContact CB-CB 3.84Å; A80-Q402 HydrophobicContact CB-CG 4.21Å; A81-Q402 PolarHBondContact N-O 2.76Å; R103-Q402 PolarHBondContact O-NE2 3.14Å; R103-Q402 PolarHBondContact O-OE1 3.36Å; R381-Q402 CarbonylContact O-C 2.97Å; R381-Q402 PolarHBondContact O-NE2 2.89Å
403V98.5Very high97.5Very high0 Ų033 Ų330%016%0.161CC..EExtended strand (participates in β ladder)trans-117.1134.9173.1174.80000108.2A81 I83 I92 F100 E380 R381 I397 I405A81-V403 HydrophobicContact CB-CG2 4.37Å; A81-V403 CarbonylContact O-C 3.56Å; A81-V403 WeakPolarHBondContact O-CA 3.49Å; I83-V403 HydrophobicContact CD1-CG1 3.74Å; I83-V403 HydrophobicContact CG1-CG1 3.5Å; I92-V403 HydrophobicContact CD1-CG1 3.91Å; I92-V403 HydrophobicContact CG2-CG1 4.29Å; F100-V403 HydrophobicContact CD1-CG2 4.13Å; F100-V403 HydrophobicContact CE1-CG2 3.89Å; E380-V403 WeakPolarHBondContact CA-O 3.36Å; R381-V403 HydrophobicContact CB-CB 4.06Å; R381-V403 PolarHBondContact N-O 3.22Å; R381-V403 PolarHBondContact O-N 3.19Å; I397-V403 HydrophobicContact CD1-CG2 4.4Å; I397-V403 HydrophobicContact CG2-CG2 4.05Å; V403-I405 HydrophobicContact CG1-CG1 4.26Å
404I98.2Very high97.7Very high0 Ų030.8 Ų30.80%015%0.151CC..EExtended strand (participates in β ladder)trans-119.4121176.5-62.4172.7000108.1F56 F73 F75 A80 A81 F82 I83 H378F56-I404 HydrophobicContact CD1-CG2 4.43Å; F56-I404 HydrophobicContact CE1-CD1 4.41Å; F56-I404 HydrophobicContact CE1-CG2 4.06Å; F56-I404 HydrophobicContact CZ-CG2 4.34Å; F73-I404 HydrophobicContact CD1-CD1 3.67Å; F73-I404 HydrophobicContact CE1-CD1 3.99Å; F75-I404 HydrophobicContact CD2-CD1 4.23Å; A80-I404 HydrophobicContact CB-CD1 3.68Å; A80-I404 HydrophobicContact CB-CG1 4.02Å; A81-I404 PolarHBondContact O-N 3Å; F82-I404 HydrophobicContact CD2-CB 3.99Å; F82-I404 HydrophobicContact CD2-CG2 3.68Å; F82-I404 HydrophobicContact CE2-CG2 3.81Å; I83-I404 PolarHBondContact N-O 3.03Å; H378-I404 HydrophobicContact CB-CG2 3.97Å
405I98.7Very high97.7Very high0 Ų026.5 Ų26.50%014%0.137CC..EExtended strand (participates in β ladder)trans-107.7109.7172.9-60.7166.9000107I83 A89 I92 L93 H378 L379 V403 A407 Y410 L442I83-I405 HydrophobicContact CB-CG1 4.18Å; I83-I405 HydrophobicContact CG1-CG1 3.88Å; A89-I405 HydrophobicContact CB-CD1 4.24Å; A89-I405 HydrophobicContact CB-CG1 4.37Å; A89-I405 HydrophobicContact CB-CG2 3.9Å; I92-I405 HydrophobicContact CG2-CD1 4.05Å; L93-I405 HydrophobicContact CD1-CD1 3.9Å; L93-I405 HydrophobicContact CD2-CD1 3.58Å; L93-I405 HydrophobicContact CG-CD1 3.55Å; H378-I405 CarbonylContact C-O 3.58Å; H378-I405 VanDerWaalsContact CA-O 3.25Å; H378-I405 WeakPolarHBondContact CA-O 3.46Å; L379-I405 HydrophobicContact CB-CB 4.2Å; L379-I405 PolarHBondContact N-O 3.09Å; L379-I405 PolarHBondContact O-N 3.17Å; V403-I405 HydrophobicContact CG1-CG1 4.26Å; I405-A407 VanDerWaalsContact C-N 3.34Å; I405-A407 PolarHBondContact O-N 3.39Å; I405-Y410 HydrophobicContact CG2-CD2 4.41Å; I405-Y410 HydrophobicContact CG2-CE2 3.55Å; I405-L442 HydrophobicContact CG2-CD1 3.89Å
406P98.3Very high97.7Very high0 Ų028 Ų280%015%0.145CC..  trans-82.475.2-171.736.3-38.8000111.6F56 Y60 F82 I83 P377 C408 A409 Y410F56-P406 HydrophobicContact CB-CB 3.97Å; Y60-P406 HydrophobicContact CD2-CG 4.06Å; F82-P406 HydrophobicContact CE1-CB 4.18Å; F82-P406 HydrophobicContact CE1-CG 3.71Å; F82-P406 HydrophobicContact CE2-CB 3.84Å; F82-P406 HydrophobicContact CE2-CG 4.14Å; F82-P406 HydrophobicContact CZ-CB 3.41Å; F82-P406 VanDerWaalsContact CZ-CB 3.41Å; F82-P406 HydrophobicContact CZ-CG 3.47Å; F82-P406 VanDerWaalsContact CZ-CG 3.47Å; I83-P406 WeakPolarHBondContact O-CD 3.49Å; P377-P406 CarbonylContact O-C 3.41Å; P406-C408 PolarHBondContact O-N 3.49Å; P406-C408 VanDerWaalsContact O-N 3.15Å; P406-A409 HydrophobicContact CB-CB 3.89Å; P406-A409 HydrophobicContact CG-CB 4.2Å; P406-A409 WeakPolarHBondContact O-CA 3.22Å; P406-A409 WeakPolarHBondContact O-CB 3.43Å; P406-A409 PolarHBondContact O-N 2.9Å; P406-Y410 HydrophobicContact CG-CD1 4.2Å; P406-Y410 HydrophobicContact CG-CE1 3.7Å; P406-Y410 PolarHBondContact O-N 3.38Å; P406-Y410 VanDerWaalsContact O-N 3.08Å
407A98.5Very high97.6Very high0 Ų025.8 Ų25.80%013%0.132CC..Hα-helixtrans-48.9-42.9179.500000112.8T374 P377 I405 A409 Y410 H411 L442T374-A407 HydrophobicContact CG2-CB 4.18Å; P377-A407 PolarHBondContact O-N 3.14Å; P377-A407 VanDerWaalsContact O-N 3.1Å; I405-A407 VanDerWaalsContact C-N 3.34Å; I405-A407 PolarHBondContact O-N 3.39Å; A407-A409 PolarHBondContact O-N 3.44Å; A407-Y410 PolarHBondContact O-N 3.1Å; A407-H411 WeakPolarHBondContact O-CB 3.24Å; A407-H411 PolarHBondContact O-CD2 3.14Å; A407-H411 VanDerWaalsContact O-CD2 3.28Å; A407-H411 PolarHBondContact O-N 2.72Å; A407-L442 HydrophobicContact CB-CB 3.79Å; A407-L442 HydrophobicContact CB-CD1 4.44Å
408C98Very high97.6Very high0 Ų029.5 Ų29.50%016%0.156CC..Hα-helixtrans-60.4-33.2177.762.80000114.2H53 T374 P377 P406H53-C408 VanDerWaalsContact CD2-CB 3.42Å; H53-C408 WeakPolarHBondContact CD2-CB 3.27Å; H53-C408 WeakPolarHBondContact NE2-CB 3.42Å; T374-C408 HydrophobicContact CG2-CB 4.26Å; P377-C408 HydrophobicContact CB-CB 3.76Å; P377-C408 WeakPolarHBondContact O-CB 3.25Å; P377-C408 PolarHBondContact O-N 2.97Å; P377-C408 PolarHBondContact O-SG 3.5Å; P406-C408 PolarHBondContact O-N 3.49Å; P406-C408 VanDerWaalsContact O-N 3.15Å
409A98.3Very high97.6Very high0 Ų032.2 Ų32.20%017%0.172CC..Hα-helixtrans-80-40.7-179.700000110.6Y60 P406 A407 H411 R412 D413Y60-A409 VanDerWaalsContact CB-CB 3.44Å; Y60-A409 HydrophobicContact CD1-CB 3.63Å; Y60-A409 HydrophobicContact CD2-CB 4.23Å; Y60-A409 HydrophobicContact CE1-CB 4.43Å; Y60-A409 HydrophobicContact CG-CB 3.5Å; Y60-A409 VanDerWaalsContact CG-CB 3.5Å; P406-A409 HydrophobicContact CB-CB 3.89Å; P406-A409 HydrophobicContact CG-CB 4.2Å; P406-A409 WeakPolarHBondContact O-CA 3.22Å; P406-A409 WeakPolarHBondContact O-CB 3.43Å; P406-A409 PolarHBondContact O-N 2.9Å; A407-A409 PolarHBondContact O-N 3.44Å; A409-H411 VanDerWaalsContact C-N 3.26Å; A409-H411 PolarHBondContact O-N 2.52Å; A409-R412 CarbonylContact O-C 3.51Å; A409-R412 PolarHBondContact O-N 2.82Å; A409-D413 PolarHBondContact O-N 2.82Å
410Y98.5Very high97.6Very high0 Ų026.7 Ų26.70%015%0.15CC..Hα-helixtrans-58.7-41.2172.9-62.8-6.2000111.1Y60 I83 T86 A89 I405 P406 A407 R412 D413 Y417 L442Y60-Y410 HydrophobicContact CD2-CD1 4.26Å; Y60-Y410 HydrophobicContact CD2-CE1 4.03Å; Y60-Y410 AromaticContact CE2-CD1 3.68Å; Y60-Y410 HydrophobicContact CE2-CD1 3.68Å; Y60-Y410 AromaticContact CE2-CE1 3.51Å; Y60-Y410 HydrophobicContact CE2-CE1 3.51Å; Y60-Y410 AromaticContact CZ-CD1 3.92Å; I83-Y410 WeakPolarHBondContact CG2-OH 3.24Å; I83-Y410 PolarHBondContact O-OH 3.04Å; T86-Y410 HydrophobicContact CG2-CD1 4.38Å; T86-Y410 HydrophobicContact CG2-CD2 3.96Å; T86-Y410 HydrophobicContact CG2-CE1 4.43Å; T86-Y410 HydrophobicContact CG2-CE2 3.99Å; T86-Y410 HydrophobicContact CG2-CG 4.18Å; A89-Y410 HydrophobicContact CB-CE2 3.97Å; I405-Y410 HydrophobicContact CG2-CD2 4.41Å; I405-Y410 HydrophobicContact CG2-CE2 3.55Å; P406-Y410 HydrophobicContact CG-CD1 4.2Å; P406-Y410 HydrophobicContact CG-CE1 3.7Å; P406-Y410 PolarHBondContact O-N 3.38Å; P406-Y410 VanDerWaalsContact O-N 3.08Å; A407-Y410 PolarHBondContact O-N 3.1Å; Y410-R412 PolarHBondContact O-N 2.72Å; Y410-R412 VanDerWaalsContact O-N 3.14Å; Y410-D413 VanDerWaalsContact O-CB 3.3Å; Y410-D413 WeakPolarHBondContact O-CB 3.27Å; Y410-D413 PolarHBondContact O-N 2.62Å; Y410-Y417 WeakPolarHBondContact O-CD2 3.46Å; Y410-Y417 WeakPolarHBondContact O-CE2 3.47Å; Y410-L442 HydrophobicContact CD2-CD1 3.94Å; Y410-L442 HydrophobicContact CE2-CD1 4.18Å
411H98.5Very high97.6Very high0 Ų030.3 Ų30.30%016%0.158CC..THydrogen-bonded Turntrans-66.2-13.5177.9-69179.2000114.4R371 T374 A407 A409 E440 W441 L442R371-H411 HydrophobicContact CG-CB 3.73Å; R371-H411 WeakPolarHBondContact CG-O 3.45Å; R371-H411 PolarHBondContact NH1-O 3.22Å; R371-H411 VanDerWaalsContact O-CB 3.27Å; R371-H411 WeakPolarHBondContact O-CB 3.22Å; R371-H411 PolarHBondContact O-ND1 3.23Å; T374-H411 PolarHBondContact OG1-ND1 3.33Å; A407-H411 WeakPolarHBondContact O-CB 3.24Å; A407-H411 PolarHBondContact O-CD2 3.14Å; A407-H411 VanDerWaalsContact O-CD2 3.28Å; A407-H411 PolarHBondContact O-N 2.72Å; A409-H411 VanDerWaalsContact C-N 3.26Å; A409-H411 PolarHBondContact O-N 2.52Å; H411-E440 PolarHBondContact CD2-O 3.49Å; H411-W441 WeakPolarHBondContact NE2-CA 3.49Å; H411-L442 PolarHBondContact NE2-N 3.13Å
412R97.8Very high97.7Very high31 Ų3133.6 Ų33.612%0.11718%0.178CC..THydrogen-bonded Turntrans-118.912.2177.1-66.7-175.6174.7-111-3.7112.8Y57 L372 A409 Y410 E414 P420 E421Y57-R412 HydrophobicContact CD2-CB 4.08Å; Y57-R412 HydrophobicContact CE2-CB 3.62Å; L372-R412 VanDerWaalsContact CD1-NH2 3.34Å; L372-R412 PolarHBondContact O-NH2 2.77Å; A409-R412 CarbonylContact O-C 3.51Å; A409-R412 PolarHBondContact O-N 2.82Å; Y410-R412 PolarHBondContact O-N 2.72Å; Y410-R412 VanDerWaalsContact O-N 3.14Å; R412-E414 PolarHBondContact O-N 2.7Å; R412-P420 HydrophobicContact CB-CB 4.35Å; R412-P420 WeakPolarHBondContact O-CG 3.22Å; R412-E421 IonicContact CZ-OE1 2.82Å; R412-E421 IonicContact CZ-OE2 2.64Å; R412-E421 IonicContact NH1-OE1 2.82Å; R412-E421 PolarHBondContact NH1-OE1 2.77Å; R412-E421 IonicContact NH1-OE2 3.13Å; R412-E421 PolarHBondContact NH1-OE2 3.35Å
413D97.8Very high97.8Very high5 Ų533.8 Ų33.83%0.02718%0.179CC..  trans-70.7119.9174.2-173.5-57000109.2Y60 R64 A409 Y410 D415 L416 Y417Y60-D413 HydrophobicContact CE1-CB 4.14Å; Y60-D413 WeakPolarHBondContact CE1-OD2 3.21Å; Y60-D413 VanDerWaalsContact CZ-OD2 3.24Å; Y60-D413 PolarHBondContact OH-OD2 3.35Å; R64-D413 IonicContact CZ-OD1 3.78Å; R64-D413 IonicContact CZ-OD2 2.65Å; R64-D413 IonicContact NH1-OD1 3.15Å; R64-D413 PolarHBondContact NH1-OD1 2.93Å; R64-D413 IonicContact NH1-OD2 3.9Å; R64-D413 PolarHBondContact NH1-OD2 3.34Å; A409-D413 PolarHBondContact O-N 2.82Å; Y410-D413 VanDerWaalsContact O-CB 3.3Å; Y410-D413 WeakPolarHBondContact O-CB 3.27Å; Y410-D413 PolarHBondContact O-N 2.62Å; D413-D415 VanDerWaalsContact C-N 3.26Å; D413-D415 PolarHBondContact O-N 3.4Å; D413-D415 WeakPolarHBondContact OD1-CA 3.18Å; D413-D415 VanDerWaalsContact OD1-CB 3.26Å; D413-D415 WeakPolarHBondContact OD1-CB 3.46Å; D413-D415 PolarHBondContact OD1-N 3.2Å; D413-L416 HydrophobicContact CB-CB 4.15Å; D413-L416 HydrophobicContact CB-CD1 3.95Å; D413-L416 HydrophobicContact CB-CG 3.96Å; D413-L416 PolarHBondContact O-N 3.07Å; D413-L416 PolarHBondContact OD1-N 2.87Å; D413-Y417 WeakPolarHBondContact O-CA 3.34Å; D413-Y417 PolarHBondContact O-N 3.38Å
414E97.1Very high97.8Very high100 Ų10036 Ų3647%0.46719%0.191SC..THydrogen-bonded Turntrans-67.2-22.8-178.170.1-169.7165.300114.1R64 K65 R412 Y417 P418 P420R64-E414 IonicContact CZ-OE1 2.66Å; R64-E414 IonicContact NH2-OE1 3.65Å; R64-E414 PolarHBondContact NH2-OE1 3.03Å; K65-E414 IonicContact NZ-OE1 3.7Å; R412-E414 PolarHBondContact O-N 2.7Å; E414-Y417 CarbonylContact O-C 3.37Å; E414-P418 WeakPolarHBondContact O-CA 3.09Å; E414-P420 HydrophobicContact CB-CG 4.4Å
415D95.7Very high97.8Very high109 Ų10936.1 Ų36.158%0.58319%0.191SC*.THydrogen-bonded Turntrans-78.2-28.7177.4-55.8-44.3000110.4R64 D413R64-D415 IonicContact CZ-OD2 3.62Å; R64-D415 IonicContact NH1-OD2 3.05Å; R64-D415 PolarHBondContact NH1-OD2 3.42Å; R64-D415 IonicContact NH2-OD1 3.92Å; R64-D415 IonicContact NH2-OD2 2.68Å; R64-D415 PolarHBondContact NH2-OD2 2.98Å; D413-D415 VanDerWaalsContact C-N 3.26Å; D413-D415 PolarHBondContact O-N 3.4Å; D413-D415 WeakPolarHBondContact OD1-CA 3.18Å; D413-D415 VanDerWaalsContact OD1-CB 3.26Å; D413-D415 WeakPolarHBondContact OD1-CB 3.46Å; D413-D415 PolarHBondContact OD1-N 3.2Å
416L96.3Very high97.8Very high46 Ų4638.8 Ų38.824%0.24120%0.204CC..THydrogen-bonded Turntrans-88.2-37.4173.5-57-178.7000112.5T86 D413 E440T86-L416 HydrophobicContact CG2-CD1 4.12Å; D413-L416 HydrophobicContact CB-CB 4.15Å; D413-L416 HydrophobicContact CB-CD1 3.95Å; D413-L416 HydrophobicContact CB-CG 3.96Å; D413-L416 PolarHBondContact O-N 3.07Å; D413-L416 PolarHBondContact OD1-N 2.87Å; L416-E440 HydrophobicContact CD1-CB 4.19Å; L416-E440 HydrophobicContact CD1-CG 4Å; L416-E440 HydrophobicContact CD2-CG 4.09Å
417Y97.5Very high97.7Very high2 Ų239.8 Ų39.81%0.00821%0.208CC..SBendtrans-133.985.3-174.4-58.7-77.8000110.2R371 Y410 D413 E414 N419 P420 E440R371-Y417 VanDerWaalsContact CD-CE1 3.43Å; R371-Y417 HydrophobicContact CG-CE1 4.25Å; R371-Y417 HydrophobicContact CG-CE2 4.44Å; Y410-Y417 WeakPolarHBondContact O-CD2 3.46Å; Y410-Y417 WeakPolarHBondContact O-CE2 3.47Å; D413-Y417 WeakPolarHBondContact O-CA 3.34Å; D413-Y417 PolarHBondContact O-N 3.38Å; E414-Y417 CarbonylContact O-C 3.37Å; Y417-N419 PolarHBondContact O-N 3.49Å; Y417-P420 WeakPolarHBondContact O-CA 3.45Å; Y417-P420 WeakPolarHBondContact O-CB 3.13Å; Y417-P420 VanDerWaalsContact O-CD 3.28Å; Y417-P420 WeakPolarHBondContact O-CD 3.28Å; Y417-E440 PolarHBondContact OH-O 3.29Å
418P97.1Very high97.7Very high78 Ų7840.4 Ų40.451%0.50621%0.21SC..SBendtrans-56.1134.3179.6-2734.8000111.8E414 R427E414-P418 WeakPolarHBondContact O-CA 3.09Å; P418-R427 PolarHBondContact O-NH1 3.44Å; P418-R427 PolarHBondContact O-NH2 2.94Å
419N97.8Very high97.7Very high121 Ų12141 Ų4165%0.64722%0.215SC*.SBendtrans54.861.2-169.3-53.6-52.4000112.3Y417 E421 T422 R427Y417-N419 PolarHBondContact O-N 3.49Å; N419-E421 PolarHBondContact O-N 2.96Å; N419-E421 VanDerWaalsContact O-N 3.09Å; N419-T422 WeakPolarHBondContact O-CB 3.43Å; N419-T422 PolarHBondContact O-N 2.86Å; N419-R427 PolarHBondContact O-NH2 3.41Å
420P97.5Very high97.6Very high19 Ų1945.2 Ų45.212%0.12324%0.242CC..THydrogen-bonded Turntrans-65.3-19-167.125-34.1000114.3R371 L372 R412 E414 Y417R371-P420 VanDerWaalsContact CZ-O 3.28Å; R371-P420 PolarHBondContact NH1-O 3.36Å; R371-P420 PolarHBondContact NH2-O 3.35Å; L372-P420 WeakPolarHBondContact CD1-O 3.3Å; R412-P420 HydrophobicContact CB-CB 4.35Å; R412-P420 WeakPolarHBondContact O-CG 3.22Å; E414-P420 HydrophobicContact CB-CG 4.4Å; Y417-P420 WeakPolarHBondContact O-CA 3.45Å; Y417-P420 WeakPolarHBondContact O-CB 3.13Å; Y417-P420 VanDerWaalsContact O-CD 3.28Å; Y417-P420 WeakPolarHBondContact O-CD 3.28Å
421E96.4Very high97.6Very high109 Ų10952.9 Ų52.951%0.50928%0.278SS..THydrogen-bonded Turntrans-79.9-18.1177-60.4-56.6136.900113.2R412 N419R412-E421 IonicContact CZ-OE1 2.82Å; R412-E421 IonicContact CZ-OE2 2.64Å; R412-E421 IonicContact NH1-OE1 2.82Å; R412-E421 PolarHBondContact NH1-OE1 2.77Å; R412-E421 IonicContact NH1-OE2 3.13Å; R412-E421 PolarHBondContact NH1-OE2 3.35Å; N419-E421 PolarHBondContact O-N 2.96Å; N419-E421 VanDerWaalsContact O-N 3.09Å
422T98Very high97.5Very high78 Ų7857.5 Ų57.548%0.47930%0.298SS..SBendtrans-79.2126.6178.2-56.80000110.2R371 N419 D424R371-T422 PolarHBondContact NH2-O 2.79Å; N419-T422 WeakPolarHBondContact O-CB 3.43Å; N419-T422 PolarHBondContact O-N 2.86Å; T422-D424 PolarHBondContact O-N 3.42Å
423F98.5Very high97.5Very high11 Ų1159.3 Ų59.35%0.04831%0.312CS..  trans-73.499.2171.8-170.6-99.9000110.1E325 I332 V365 E368 L372 P425E325-F423 HydrophobicContact CB-CD1 4.04Å; E325-F423 HydrophobicContact CB-CD2 3.87Å; E325-F423 HydrophobicContact CB-CE1 3.95Å; E325-F423 HydrophobicContact CB-CE2 3.76Å; E325-F423 HydrophobicContact CB-CG 4.01Å; E325-F423 HydrophobicContact CB-CZ 3.81Å; E325-F423 HydrophobicContact CG-CD2 3.54Å; E325-F423 HydrophobicContact CG-CE2 3.69Å; E325-F423 HydrophobicContact CG-CG 4Å; E325-F423 HydrophobicContact CG-CZ 4.27Å; E325-F423 WeakPolarHBondContact OE2-CB 3.43Å; I332-F423 HydrophobicContact CD1-CD1 3.82Å; I332-F423 HydrophobicContact CD1-CE1 4.29Å; I332-F423 HydrophobicContact CG2-CE1 4.34Å; V365-F423 HydrophobicContact CG1-CE1 4.35Å; V365-F423 HydrophobicContact CG1-CZ 4.02Å; E368-F423 HydrophobicContact CB-CD2 4.48Å; E368-F423 HydrophobicContact CB-CE2 4.03Å; E368-F423 HydrophobicContact CB-CZ 4.29Å; E368-F423 HydrophobicContact CG-CD1 4.5Å; E368-F423 HydrophobicContact CG-CD2 3.54Å; E368-F423 HydrophobicContact CG-CE2 3.58Å; E368-F423 HydrophobicContact CG-CG 4.04Å; E368-F423 HydrophobicContact CG-CZ 4.1Å; L372-F423 HydrophobicContact CD2-CB 4.32Å; L372-F423 HydrophobicContact CD2-CD2 4.01Å; F423-P425 HydrophobicContact CD1-CG 4.37Å; F423-P425 HydrophobicContact CE1-CG 3.96Å
424D98.6Very high97.4Very high46 Ų4663.2 Ų63.225%0.24635%0.345CS..  trans-125.397.6-177.9173.721.4000111.1E368 T422 E426 R427E368-D424 VanDerWaalsContact CD-O 3.31Å; E368-D424 PolarHBondContact OE1-N 3.34Å; T422-D424 PolarHBondContact O-N 3.42Å; D424-E426 PolarHBondContact O-N 2.95Å; D424-E426 VanDerWaalsContact OD1-CB 3.23Å; D424-E426 WeakPolarHBondContact OD1-CB 3.1Å; D424-E426 PolarHBondContact OD1-N 3.32Å; D424-R427 HydrophobicContact CB-CG 4.13Å; D424-R427 WeakPolarHBondContact O-CB 3.42Å; D424-R427 VanDerWaalsContact O-CG 3.29Å; D424-R427 WeakPolarHBondContact O-CG 3.48Å; D424-R427 PolarHBondContact O-N 3.22Å
425P98.7Very high97.4Very high3 Ų362.8 Ų62.82%0.01936%0.359CS..G310 helixtrans-56.7-28.2174.9-27.236.1000113.9I332 Y361 Q364 V365 F423 R427 F428I332-P425 HydrophobicContact CD1-CG 4.1Å; I332-P425 HydrophobicContact CG2-CG 3.88Å; Y361-P425 HydrophobicContact CE2-CB 3.75Å; Y361-P425 HydrophobicContact CE2-CG 4.45Å; Q364-P425 HydrophobicContact CB-CB 4.03Å; Q364-P425 WeakPolarHBondContact CB-O 3.46Å; Q364-P425 PolarHBondContact OE1-O 3.36Å; V365-P425 HydrophobicContact CG2-CB 4.07Å; V365-P425 HydrophobicContact CG2-CG 3.88Å; F423-P425 HydrophobicContact CD1-CG 4.37Å; F423-P425 HydrophobicContact CE1-CG 3.96Å; P425-R427 PolarHBondContact O-N 3.34Å; P425-F428 PolarHBondContact O-N 2.92Å
426E98Very high97.4Very high57 Ų5759.6 Ų59.627%0.26634%0.339SS..G310 helixtrans-66.5-11.2-178.8-63.2-60.4145.500112.8R335 D424 F428 S429 K432R335-E426 IonicContact CZ-OE1 3.35Å; R335-E426 IonicContact NH1-OE1 3.08Å; R335-E426 PolarHBondContact NH1-OE1 2.74Å; R335-E426 IonicContact NH2-OE1 2.77Å; R335-E426 PolarHBondContact NH2-OE1 3.15Å; D424-E426 PolarHBondContact O-N 2.95Å; D424-E426 VanDerWaalsContact OD1-CB 3.23Å; D424-E426 WeakPolarHBondContact OD1-CB 3.1Å; D424-E426 PolarHBondContact OD1-N 3.32Å; E426-F428 PolarHBondContact O-N 3.28Å; E426-S429 PolarHBondContact O-N 3.14Å; E426-K432 VanDerWaalsContact O-CD 3.28Å; E426-K432 WeakPolarHBondContact O-CD 3.15Å; E426-K432 WeakPolarHBondContact O-CE 3.24Å; E426-K432 PolarHBondContact O-NZ 3.3Å
427R97.6Very high97.5Very high21 Ų2161.2 Ų61.28%0.07935%0.345CS..G310 helixtrans-59.3-25.8166.3-65.3178.8-165.2-72.3-2.2112E368 P418 N419 D424 P425 K432 R436E368-R427 IonicContact OE1-NE 2.87Å; E368-R427 WeakPolarHBondContact OE2-CD 3.28Å; P418-R427 PolarHBondContact O-NH1 3.44Å; P418-R427 PolarHBondContact O-NH2 2.94Å; N419-R427 PolarHBondContact O-NH2 3.41Å; D424-R427 HydrophobicContact CB-CG 4.13Å; D424-R427 WeakPolarHBondContact O-CB 3.42Å; D424-R427 VanDerWaalsContact O-CG 3.29Å; D424-R427 WeakPolarHBondContact O-CG 3.48Å; D424-R427 PolarHBondContact O-N 3.22Å; P425-R427 PolarHBondContact O-N 3.34Å; R427-K432 WeakPolarHBondContact O-CB 3.36Å; R427-R436 PolarHBondContact O-NH2 3.12Å
428F98.3Very high97.4Very high12 Ų1264 Ų645%0.05337%0.365CS..G310 helixtrans-106.918.1-176.1-68.9-83.9000113.3Q364 S367 E368 R371 P425 E426 V433 W441Q364-F428 HydrophobicContact CB-CB 4.11Å; Q364-F428 HydrophobicContact CG-CB 4.11Å; Q364-F428 WeakPolarHBondContact CG-O 3.5Å; S367-F428 VanDerWaalsContact CB-CG 3.46Å; E368-F428 HydrophobicContact CB-CD2 3.94Å; E368-F428 HydrophobicContact CB-CE2 4.07Å; E368-F428 VanDerWaalsContact OE2-CE2 3.25Å; E368-F428 WeakPolarHBondContact OE2-CE2 3.37Å; R371-F428 HydrophobicContact CB-CE2 4.15Å; R371-F428 HydrophobicContact CB-CZ 4.04Å; P425-F428 PolarHBondContact O-N 2.92Å; E426-F428 PolarHBondContact O-N 3.28Å; F428-V433 HydrophobicContact CB-CG2 4.16Å; F428-V433 HydrophobicContact CD1-CG2 3.96Å; F428-V433 WeakPolarHBondContact O-CG2 3.13Å; F428-W441 AromaticContact CE1-CD1 3.44Å; F428-W441 VanDerWaalsContact CE1-CD1 3.44Å; F428-W441 AromaticContact CE1-CD2 4Å; F428-W441 HydrophobicContact CE1-CD2 4Å; F428-W441 AromaticContact CE1-CE2 3.78Å; F428-W441 AromaticContact CE1-CG 3.76Å; F428-W441 HydrophobicContact CE1-CG 3.76Å; F428-W441 AromaticContact CE1-NE1 3.41Å; F428-W441 AromaticContact CZ-CD1 3.34Å; F428-W441 HydrophobicContact CZ-CG 4.1Å; F428-W441 AromaticContact CZ-NE1 3.34Å; F428-W441 VanDerWaalsContact CZ-NE1 3.34Å
429S97.7Very high97.4Very high14 Ų1460.3 Ų60.310%0.09834%0.341CS..SBendtrans-53.3147.5167.978.20000110.3E426 E431 K432 V433E426-S429 PolarHBondContact O-N 3.14Å; S429-E431 PolarHBondContact O-N 3.4Å; S429-E431 VanDerWaalsContact O-N 3.09Å; S429-K432 PolarHBondContact O-N 3.13Å; S429-K432 PolarHBondContact OG-N 2.85Å; S429-V433 WeakPolarHBondContact O-CG2 3.39Å; S429-V433 PolarHBondContact O-N 3.45Å
430P96.3Very high97.4Very high88 Ų8856.2 Ų56.257%0.57132%0.318SS*.Hα-helixtrans-51.5-38.5-177.1-29.435.8000113.6T360 A434T360-P430 HydrophobicContact CG2-CG 4.38Å; P430-A434 WeakPolarHBondContact O-CB 3.19Å; P430-A434 PolarHBondContact O-N 2.9Å
431E97.5Very high97.4Very high160 Ų16057.8 Ų57.875%0.74832%0.321SS*.Hα-helixtrans-64.9-48.8177.9-63.7166.1-172.800112.1S429 A434 A435S429-E431 PolarHBondContact O-N 3.4Å; S429-E431 VanDerWaalsContact O-N 3.09Å; E431-A434 PolarHBondContact O-N 3.45Å; E431-A435 PolarHBondContact O-N 2.86Å
432K97.4Very high97.5Very high97 Ų9752.7 Ų52.742%0.42230%0.298SS..Hα-helixtrans-69.1-33.9179.2-70.2-170.4-163.5156.40112.3E426 R427 S429 R436E426-K432 VanDerWaalsContact O-CD 3.28Å; E426-K432 WeakPolarHBondContact O-CD 3.15Å; E426-K432 WeakPolarHBondContact O-CE 3.24Å; E426-K432 PolarHBondContact O-NZ 3.3Å; R427-K432 WeakPolarHBondContact O-CB 3.36Å; S429-K432 PolarHBondContact O-N 3.13Å; S429-K432 PolarHBondContact OG-N 2.85Å; K432-R436 WeakPolarHBondContact O-CB 3.26Å; K432-R436 PolarHBondContact O-N 3.36Å
433V97.2Very high97.5Very high69 Ų6950.2 Ų50.242%0.41828%0.283SS..Hα-helixtrans-65.6-42.2173.3174.50000110.7F428 S429 A435 R436F428-V433 HydrophobicContact CB-CG2 4.16Å; F428-V433 HydrophobicContact CD1-CG2 3.96Å; F428-V433 WeakPolarHBondContact O-CG2 3.13Å; S429-V433 WeakPolarHBondContact O-CG2 3.39Å; S429-V433 PolarHBondContact O-N 3.45Å; V433-A435 VanDerWaalsContact C-N 3.32Å; V433-A435 PolarHBondContact O-N 3.36Å; V433-R436 PolarHBondContact O-N 3.01Å
434A96.8Very high97.5Very high87 Ų8751.5 Ų51.572%0.71929%0.289SS*.Hα-helixtrans-67.3-31.9178.900000113.2P430 E431P430-A434 WeakPolarHBondContact O-CB 3.19Å; P430-A434 PolarHBondContact O-N 2.9Å; E431-A434 PolarHBondContact O-N 3.45Å
435A96.8Very high97.4Very high91 Ų9150 Ų5075%0.75228%0.283SS*.Hα-helixtrans-79.3-17.3176.800000113.9E431 V433E431-A435 PolarHBondContact O-N 2.86Å; V433-A435 VanDerWaalsContact C-N 3.32Å; V433-A435 PolarHBondContact O-N 3.36Å
436R96.3Very high97.4Very high42 Ų4251.3 Ų51.316%0.15829%0.29CS..SBendtrans-85142.8-175.9-167.1-172.6-68.410910.8111.6R427 K432 V433 E440R427-R436 PolarHBondContact O-NH2 3.12Å; K432-R436 WeakPolarHBondContact O-CB 3.26Å; K432-R436 PolarHBondContact O-N 3.36Å; V433-R436 PolarHBondContact O-N 3.01Å; R436-E440 HydrophobicContact CG-CB 3.89Å; R436-E440 WeakPolarHBondContact CG-OE2 3.5Å
437E96.7Very high97.4Very high80 Ų8049.2 Ų49.237%0.37428%0.284SS..  trans-68135.4167-73.8-67.5173.400111.2K90 V439 E440K90-E437 VanDerWaalsContact NZ-CD 3.28Å; K90-E437 IonicContact NZ-OE1 3.58Å; K90-E437 PolarHBondContact NZ-OE1 3.16Å; K90-E437 IonicContact NZ-OE2 3.31Å; K90-E437 PolarHBondContact NZ-OE2 2.91Å; E437-V439 HydrophobicContact CB-CG2 4.45Å; E437-V439 PolarHBondContact O-N 2.83Å; E437-V439 VanDerWaalsContact O-N 3.08Å; E437-E440 HydrophobicContact CB-CG 3.98Å; E437-E440 WeakPolarHBondContact O-CB 3.36Å; E437-E440 PolarHBondContact O-N 3.04Å
438S95.5Very high97.3Very high60 Ų6051 Ų5142%0.4230%0.299SS..G310 helixtrans-59-31-173.9650000113E440 W441 D446S438-E440 VanDerWaalsContact C-N 3.25Å; S438-E440 PolarHBondContact O-N 3.28Å; S438-W441 CarbonylContact O-C 3.58Å; S438-W441 PolarHBondContact O-N 2.65Å; S438-W441 VanDerWaalsContact O-O 3.08Å; S438-D446 VanDerWaalsContact CB-OD2 3.24Å; S438-D446 WeakPolarHBondContact CB-OD2 3.36Å; S438-D446 PolarHBondContact OG-OD2 2.84Å
439V97Very high97.3Very high2 Ų250.6 Ų50.61%0.01230%0.297CS..G310 helixtrans-79.3-2.1-179.6-64.40000115T86 K90 L93 I94 E437 W441 L442 D446T86-V439 WeakPolarHBondContact O-CG2 3.48Å; K90-V439 HydrophobicContact CB-CG1 4.04Å; K90-V439 HydrophobicContact CB-CG2 3.89Å; K90-V439 HydrophobicContact CG-CG1 4.29Å; K90-V439 HydrophobicContact CG-CG2 4.44Å; L93-V439 HydrophobicContact CD1-CG1 4.09Å; I94-V439 HydrophobicContact CD1-CG1 4.2Å; E437-V439 HydrophobicContact CB-CG2 4.45Å; E437-V439 PolarHBondContact O-N 2.83Å; E437-V439 VanDerWaalsContact O-N 3.08Å; V439-W441 VanDerWaalsContact C-N 3.33Å; V439-L442 HydrophobicContact CB-CD2 4.31Å; V439-L442 HydrophobicContact CG1-CD2 4.38Å; V439-L442 WeakPolarHBondContact O-CD1 3.44Å; V439-L442 VanDerWaalsContact O-CG 3.26Å; V439-L442 WeakPolarHBondContact O-CG 3.45Å; V439-D446 HydrophobicContact CG1-CB 4.39Å
440E98Very high97.3Very high34 Ų3451.9 Ų51.916%0.15930%0.302CS..G310 helixtrans-85.3-14.2171.9-62.6173173.400111.3T86 H411 L416 Y417 R436 E437 S438T86-E440 HydrophobicContact CG2-CG 4.34Å; H411-E440 PolarHBondContact CD2-O 3.49Å; L416-E440 HydrophobicContact CD1-CB 4.19Å; L416-E440 HydrophobicContact CD1-CG 4Å; L416-E440 HydrophobicContact CD2-CG 4.09Å; Y417-E440 PolarHBondContact OH-O 3.29Å; R436-E440 HydrophobicContact CG-CB 3.89Å; R436-E440 WeakPolarHBondContact CG-OE2 3.5Å; E437-E440 HydrophobicContact CB-CG 3.98Å; E437-E440 WeakPolarHBondContact O-CB 3.36Å; E437-E440 PolarHBondContact O-N 3.04Å; S438-E440 VanDerWaalsContact C-N 3.25Å; S438-E440 PolarHBondContact O-N 3.28Å
441W98.3Very high97.3Very high53 Ų5350.2 Ų50.220%0.20129%0.292CS..  trans-129.395.9172.6-172.477000111.1S367 L370 H411 F428 S438 V439 P443 F444S367-W441 PolarHBondContact O-NE1 2.87Å; S367-W441 VanDerWaalsContact O-NE1 3.15Å; L370-W441 HydrophobicContact CB-CZ2 4.22Å; L370-W441 HydrophobicContact CD1-CZ2 4.2Å; H411-W441 WeakPolarHBondContact NE2-CA 3.49Å; F428-W441 AromaticContact CE1-CD1 3.44Å; F428-W441 VanDerWaalsContact CE1-CD1 3.44Å; F428-W441 AromaticContact CE1-CD2 4Å; F428-W441 HydrophobicContact CE1-CD2 4Å; F428-W441 AromaticContact CE1-CE2 3.78Å; F428-W441 AromaticContact CE1-CG 3.76Å; F428-W441 HydrophobicContact CE1-CG 3.76Å; F428-W441 AromaticContact CE1-NE1 3.41Å; F428-W441 AromaticContact CZ-CD1 3.34Å; F428-W441 HydrophobicContact CZ-CG 4.1Å; F428-W441 AromaticContact CZ-NE1 3.34Å; F428-W441 VanDerWaalsContact CZ-NE1 3.34Å; S438-W441 CarbonylContact O-C 3.58Å; S438-W441 PolarHBondContact O-N 2.65Å; S438-W441 VanDerWaalsContact O-O 3.08Å; V439-W441 VanDerWaalsContact C-N 3.33Å; W441-P443 HydrophobicContact CD2-CG 3.65Å; W441-P443 HydrophobicContact CE3-CG 3.91Å; W441-P443 HydrophobicContact CG-CG 4.37Å; W441-P443 HydrophobicContact CH2-CG 3.57Å; W441-P443 HydrophobicContact CZ2-CG 3.27Å; W441-P443 HydrophobicContact CZ3-CG 3.87Å; W441-P443 WeakPolarHBondContact O-CD 3.26Å; W441-F444 HydrophobicContact CH2-CD2 4.12Å; W441-F444 HydrophobicContact CH2-CE2 4.02Å; W441-F444 HydrophobicContact CZ3-CD2 4.33Å
442L98.4Very high97.2Very high2 Ų243.8 Ų43.81%0.0126%0.263CS..  trans-112.430.9-169.8-69174000116.2L93 L379 I405 A407 Y410 H411 V439 F444 G445 D446L93-L442 HydrophobicContact CD1-CD1 4.24Å; L93-L442 HydrophobicContact CD1-CD2 3.85Å; L379-L442 HydrophobicContact CD1-CB 4.31Å; L379-L442 HydrophobicContact CD1-CD1 4.07Å; L379-L442 HydrophobicContact CD1-CD2 4.16Å; L379-L442 HydrophobicContact CD1-CG 4.44Å; I405-L442 HydrophobicContact CG2-CD1 3.89Å; A407-L442 HydrophobicContact CB-CB 3.79Å; A407-L442 HydrophobicContact CB-CD1 4.44Å; Y410-L442 HydrophobicContact CD2-CD1 3.94Å; Y410-L442 HydrophobicContact CE2-CD1 4.18Å; H411-L442 PolarHBondContact NE2-N 3.13Å; V439-L442 HydrophobicContact CB-CD2 4.31Å; V439-L442 HydrophobicContact CG1-CD2 4.38Å; V439-L442 WeakPolarHBondContact O-CD1 3.44Å; V439-L442 VanDerWaalsContact O-CG 3.26Å; V439-L442 WeakPolarHBondContact O-CG 3.45Å; L442-F444 PolarHBondContact O-N 2.91Å; L442-F444 VanDerWaalsContact O-N 3.16Å; L442-G445 PolarHBondContact O-N 3.32Å; L442-D446 HydrophobicContact CD2-CB 3.74Å
443P97.8Very high97.1Very high25 Ų2540 Ų4016%0.16225%0.251CS..THydrogen-bonded Turntrans-67.6-20.6-177.328.6-33.3000113.6L370 W441L370-P443 HydrophobicContact CB-CB 3.76Å; L370-P443 HydrophobicContact CB-CG 3.98Å; L370-P443 HydrophobicContact CD1-CB 4.25Å; L370-P443 HydrophobicContact CD1-CG 4.27Å; L370-P443 HydrophobicContact CD2-CB 4.22Å; L370-P443 HydrophobicContact CG-CB 4.31Å; W441-P443 HydrophobicContact CD2-CG 3.65Å; W441-P443 HydrophobicContact CE3-CG 3.91Å; W441-P443 HydrophobicContact CG-CG 4.37Å; W441-P443 HydrophobicContact CH2-CG 3.57Å; W441-P443 HydrophobicContact CZ2-CG 3.27Å; W441-P443 HydrophobicContact CZ3-CG 3.87Å; W441-P443 WeakPolarHBondContact O-CD 3.26Å
444F98Very high97.1Very high39 Ų3939.1 Ų39.117%0.17124%0.243CC..THydrogen-bonded Turntrans-107.57.4172.6-62-74.8000112.3L370 W441 L442 N450 C451 M454 Q458L370-F444 HydrophobicContact CD1-CE2 3.62Å; L370-F444 HydrophobicContact CD1-CZ 3.76Å; W441-F444 HydrophobicContact CH2-CD2 4.12Å; W441-F444 HydrophobicContact CH2-CE2 4.02Å; W441-F444 HydrophobicContact CZ3-CD2 4.33Å; L442-F444 PolarHBondContact O-N 2.91Å; L442-F444 VanDerWaalsContact O-N 3.16Å; F444-N450 CarbonylContact O-C 3.59Å; F444-N450 WeakPolarHBondContact O-CA 3.3Å; F444-C451 HydrophobicContact CB-CB 3.84Å; F444-C451 HydrophobicContact CD1-CB 3.82Å; F444-C451 HydrophobicContact CG-CB 4.32Å; F444-C451 PolarHBondContact O-N 2.75Å; F444-M454 HydrophobicContact CB-CB 4.41Å; F444-M454 HydrophobicContact CB-CG 4.18Å; F444-M454 HydrophobicContact CB-SD 3.83Å; F444-M454 HydrophobicContact CD1-CB 3.81Å; F444-M454 HydrophobicContact CD1-CG 3.72Å; F444-M454 HydrophobicContact CD1-SD 4.46Å; F444-M454 HydrophobicContact CD2-CG 3.75Å; F444-M454 HydrophobicContact CD2-SD 3.75Å; F444-M454 HydrophobicContact CE1-CB 4.26Å; F444-M454 HydrophobicContact CE1-CG 4Å; F444-M454 HydrophobicContact CE2-CG 4.03Å; F444-M454 HydrophobicContact CE2-SD 4.47Å; F444-M454 HydrophobicContact CG-CB 4.04Å; F444-M454 HydrophobicContact CG-CG 3.58Å; F444-M454 HydrophobicContact CG-SD 3.75Å; F444-M454 HydrophobicContact CZ-CG 4.15Å; F444-Q458 HydrophobicContact CZ-CG 4.21Å
445G97.9Very high97Very high13 Ų1341 Ų4113%0.13423%0.231CC..  trans59.3-173.2-164.100000113.1L442L442-G445 PolarHBondContact O-N 3.32Å
446D97.6Very high96.9Very high31 Ų3137.2 Ų37.217%0.16620%0.198CC..  trans-138.7168.5179.7-150.3-17.5000111.6L93 I94 S438 V439 L442L93-D446 HydrophobicContact CB-CB 4.46Å; L93-D446 HydrophobicContact CD1-CB 4.15Å; I94-D446 WeakPolarHBondContact CD1-OD2 3.35Å; S438-D446 VanDerWaalsContact CB-OD2 3.24Å; S438-D446 WeakPolarHBondContact CB-OD2 3.36Å; S438-D446 PolarHBondContact OG-OD2 2.84Å; V439-D446 HydrophobicContact CG1-CB 4.39Å; L442-D446 HydrophobicContact CD2-CB 3.74Å
447G97.4Very high96.9Very high14 Ų1435.8 Ų35.814%0.14420%0.196CC..G310 helixtrans68.2-164.6-178.200000113.9L93 R449 N450L93-G447 WeakPolarHBondContact O-CA 3.33Å; G447-R449 PolarHBondContact O-N 2.86Å; G447-N450 VanDerWaalsContact O-CB 3.27Å; G447-N450 WeakPolarHBondContact O-CB 3.43Å; G447-N450 VanDerWaalsContact O-CG 3.29Å; G447-N450 PolarHBondContact O-N 3.44Å; G447-N450 PolarHBondContact O-OD1 3.18Å
448P97.2Very high96.9Very high58 Ų5833.7 Ų33.738%0.37719%0.186SC..G310 helixtrans-61.8-19.2-173.4-27.437.3000115.3F97 W126 R130F97-P448 HydrophobicContact CB-CG 4.46Å; F97-P448 HydrophobicContact CD1-CB 4.03Å; F97-P448 HydrophobicContact CD1-CG 3.58Å; F97-P448 HydrophobicContact CD2-CB 4.26Å; F97-P448 HydrophobicContact CD2-CG 4.03Å; F97-P448 HydrophobicContact CE1-CB 3.7Å; F97-P448 HydrophobicContact CE1-CG 3.8Å; F97-P448 HydrophobicContact CE2-CB 3.95Å; F97-P448 HydrophobicContact CE2-CG 4.23Å; F97-P448 HydrophobicContact CG-CB 4.31Å; F97-P448 HydrophobicContact CG-CG 3.71Å; F97-P448 HydrophobicContact CZ-CB 3.68Å; F97-P448 HydrophobicContact CZ-CG 4.14Å; W126-P448 HydrophobicContact CH2-CB 4.15Å; W126-P448 WeakPolarHBondContact CZ2-O 3.39Å; R130-P448 PolarHBondContact NH1-O 2.81Å
449R96.9Very high96.9Very high3 Ų331.1 Ų31.11%0.01117%0.168CC..G310 helixtrans-95.69.6176.5-82.2-93.7-171.5174.12.3113.1F97 A101 D102 R103 L121 D122 W126 R381 G447F97-R449 HydrophobicContact CE2-CB 4.2Å; F97-R449 HydrophobicContact CE2-CG 3.63Å; F97-R449 HydrophobicContact CZ-CG 4.09Å; A101-R449 PolarHBondContact O-NE 3.44Å; A101-R449 PolarHBondContact O-NH2 3.42Å; D102-R449 IonicContact OD1-NH2 3.42Å; R103-R449 PolarHBondContact NH2-O 3.49Å; L121-R449 VanDerWaalsContact O-CZ 3.32Å; L121-R449 PolarHBondContact O-NH1 3.45Å; L121-R449 PolarHBondContact O-NH2 3.12Å; D122-R449 IonicContact OD1-CZ 3.51Å; D122-R449 IonicContact OD1-NH1 2.63Å; D122-R449 IonicContact OD1-NH2 3.22Å; D122-R449 PolarHBondContact OD1-NH2 3.38Å; W126-R449 VanDerWaalsContact CD1-CZ 3.42Å; W126-R449 VanDerWaalsContact CD1-NH1 3.31Å; W126-R449 VanDerWaalsContact CE2-CD 3.45Å; W126-R449 VanDerWaalsContact CE2-NE 3.29Å; W126-R449 VanDerWaalsContact CG-CZ 3.44Å; W126-R449 HydrophobicContact CH2-CG 3.97Å; W126-R449 HydrophobicContact CZ2-CB 4.35Å; W126-R449 HydrophobicContact CZ2-CG 3.52Å; R381-R449 VanDerWaalsContact NH2-CB 3.33Å; G447-R449 PolarHBondContact O-N 2.86Å
450N97.4Very high96.8Very high41 Ų4131 Ų3122%0.21917%0.167CC..SBendtrans-60.8167.5174.476.2-12.5000112R130 F444 G447 I452R130-N450 PolarHBondContact NH1-O 3.1Å; R130-N450 PolarHBondContact NH2-O 3.46Å; R130-N450 PolarHBondContact NH2-OD1 2.95Å; F444-N450 CarbonylContact O-C 3.59Å; F444-N450 WeakPolarHBondContact O-CA 3.3Å; G447-N450 VanDerWaalsContact O-CB 3.27Å; G447-N450 WeakPolarHBondContact O-CB 3.43Å; G447-N450 VanDerWaalsContact O-CG 3.29Å; G447-N450 PolarHBondContact O-N 3.44Å; G447-N450 PolarHBondContact O-OD1 3.18Å; N450-I452 PolarHBondContact O-N 3.16Å; N450-I452 VanDerWaalsContact O-N 3.14Å
451C97.5Very high96.8Very high54 Ų5429.5 Ų29.537%0.36516%0.161SC..  trans-61.2116.4179.8-174.90000110.9F444 G453 M454F444-C451 HydrophobicContact CB-CB 3.84Å; F444-C451 HydrophobicContact CD1-CB 3.82Å; F444-C451 HydrophobicContact CG-CB 4.32Å; F444-C451 PolarHBondContact O-N 2.75Å; C451-G453 PolarHBondContact O-N 3.43Å; C451-G453 PolarHBondContact SG-N 3.31Å; C451-M454 HydrophobicContact CB-CB 4.32Å; C451-M454 PolarHBondContact O-N 3.3Å
452I96.1Very high96.8Very high25 Ų2529.2 Ų29.213%0.12816%0.159CC..THydrogen-bonded Turntrans-65.7-29.9175.2-167.6171.6000111.8L118 L133 F137 F307 N450L118-I452 HydrophobicContact CD2-CB 4.25Å; L118-I452 HydrophobicContact CD2-CD1 4.01Å; L118-I452 HydrophobicContact CD2-CG2 3.74Å; L133-I452 HydrophobicContact CB-CD1 3.83Å; F137-I452 HydrophobicContact CB-CG1 4.23Å; F137-I452 WeakPolarHBondContact CB-O 3.16Å; F137-I452 WeakPolarHBondContact CD1-O 3.49Å; F137-I452 HydrophobicContact CD2-CD1 3.64Å; F137-I452 HydrophobicContact CD2-CG1 3.49Å; F137-I452 VanDerWaalsContact CD2-CG1 3.49Å; F137-I452 HydrophobicContact CE2-CD1 4Å; F137-I452 HydrophobicContact CE2-CG1 4.05Å; F137-I452 HydrophobicContact CE2-CG2 4.35Å; F137-I452 HydrophobicContact CG-CG1 3.92Å; F137-I452 WeakPolarHBondContact CG-O 3.28Å; F307-I452 HydrophobicContact CE1-CG2 3.68Å; F307-I452 HydrophobicContact CZ-CG2 3.99Å; N450-I452 PolarHBondContact O-N 3.16Å; N450-I452 VanDerWaalsContact O-N 3.14Å
453G95.3Very high96.7Very high16 Ų1629.1 Ų29.117%0.16516%0.159CC..THydrogen-bonded Turntrans-87.64.9-177.900000114.8C451 R455 F456 G457C451-G453 PolarHBondContact O-N 3.43Å; C451-G453 PolarHBondContact SG-N 3.31Å; G453-R455 VanDerWaalsContact C-N 3.33Å; G453-R455 PolarHBondContact O-N 2.88Å; G453-F456 PolarHBondContact O-N 3.35Å; G453-G457 PolarHBondContact O-N 3.32Å
454M96.5Very high96.7Very high51 Ų5127.9 Ų27.925%0.25115%0.151SC..Hα-helixtrans-50.4-49.2-173177.1175.770.500112.9F444 C451 F456 G457 Q458F444-M454 HydrophobicContact CB-CB 4.41Å; F444-M454 HydrophobicContact CB-CG 4.18Å; F444-M454 HydrophobicContact CB-SD 3.83Å; F444-M454 HydrophobicContact CD1-CB 3.81Å; F444-M454 HydrophobicContact CD1-CG 3.72Å; F444-M454 HydrophobicContact CD1-SD 4.46Å; F444-M454 HydrophobicContact CD2-CG 3.75Å; F444-M454 HydrophobicContact CD2-SD 3.75Å; F444-M454 HydrophobicContact CE1-CB 4.26Å; F444-M454 HydrophobicContact CE1-CG 4Å; F444-M454 HydrophobicContact CE2-CG 4.03Å; F444-M454 HydrophobicContact CE2-SD 4.47Å; F444-M454 HydrophobicContact CG-CB 4.04Å; F444-M454 HydrophobicContact CG-CG 3.58Å; F444-M454 HydrophobicContact CG-SD 3.75Å; F444-M454 HydrophobicContact CZ-CG 4.15Å; C451-M454 HydrophobicContact CB-CB 4.32Å; C451-M454 PolarHBondContact O-N 3.3Å; M454-F456 PolarHBondContact O-N 3.11Å; M454-G457 PolarHBondContact O-N 3.4Å; M454-Q458 WeakPolarHBondContact O-CB 3.41Å; M454-Q458 WeakPolarHBondContact O-CG 3.35Å; M454-Q458 PolarHBondContact O-N 2.84Å
455R94.5Very high96.8Very high126 Ų12626 Ų2648%0.47514%0.143SC..Hα-helixtrans-64.3-39.4-179-64.4-176.5-178.6119.20.5112.6F137 M142 G453 M459F137-R455 PolarHBondContact O-NH1 3.3Å; M142-R455 HydrophobicContact CG-CB 4.01Å; M142-R455 HydrophobicContact SD-CB 4.1Å; G453-R455 VanDerWaalsContact C-N 3.33Å; G453-R455 PolarHBondContact O-N 2.88Å; R455-M459 WeakPolarHBondContact O-CB 3.3Å; R455-M459 PolarHBondContact O-N 2.79Å
456F94.7Very high96.8Very high13 Ų1325.5 Ų25.56%0.05714%0.137CC..Hα-helixtrans-67.3-46.5177.8-177.9-93.7000111M142 M145 V186 I187 C190 G453 M454 Q458 M459 Q460M142-F456 HydrophobicContact SD-CB 3.87Å; M142-F456 HydrophobicContact SD-CD2 4.32Å; M145-F456 HydrophobicContact CE-CD2 4.01Å; M145-F456 HydrophobicContact CE-CE2 4.36Å; M145-F456 HydrophobicContact SD-CD2 4.43Å; M145-F456 HydrophobicContact SD-CE2 4.19Å; V186-F456 HydrophobicContact CG1-CE1 4.22Å; V186-F456 HydrophobicContact CG1-CZ 3.67Å; I187-F456 HydrophobicContact CD1-CE1 3.8Å; I187-F456 HydrophobicContact CD1-CZ 4.11Å; C190-F456 HydrophobicContact CB-CE2 3.94Å; C190-F456 HydrophobicContact CB-CZ 4.04Å; G453-F456 PolarHBondContact O-N 3.35Å; M454-F456 PolarHBondContact O-N 3.11Å; F456-Q458 PolarHBondContact O-N 3.17Å; F456-M459 HydrophobicContact CD2-CE 3.77Å; F456-M459 HydrophobicContact CE2-CE 4.13Å; F456-M459 PolarHBondContact O-N 3.41Å; F456-Q460 PolarHBondContact O-N 2.84Å
457G96Very high96.7Very high11 Ų1124.4 Ų24.411%0.11313%0.131CC..Hα-helixtrans-58.4-46.7175.900000112.3G453 M454 M459 Q460 A461G453-G457 PolarHBondContact O-N 3.32Å; M454-G457 PolarHBondContact O-N 3.4Å; G457-M459 PolarHBondContact O-N 2.73Å; G457-Q460 WeakPolarHBondContact O-CG 3.41Å; G457-A461 VanDerWaalsContact O-CB 3.27Å; G457-A461 WeakPolarHBondContact O-CB 3.43Å; G457-A461 PolarHBondContact O-N 3.37Å
458Q96.1Very high96.7Very high36 Ų3624 Ų2417%0.16813%0.126CC..Hα-helixtrans-61.9-42175.1-74.3178.3-2800112.4F444 M454 F456 A461 R462F444-Q458 HydrophobicContact CZ-CG 4.21Å; M454-Q458 WeakPolarHBondContact O-CB 3.41Å; M454-Q458 WeakPolarHBondContact O-CG 3.35Å; M454-Q458 PolarHBondContact O-N 2.84Å; F456-Q458 PolarHBondContact O-N 3.17Å; Q458-A461 PolarHBondContact O-N 3.34Å; Q458-R462 WeakPolarHBondContact O-CB 3.15Å; Q458-R462 WeakPolarHBondContact O-CD 3.49Å; Q458-R462 WeakPolarHBondContact O-CG 2.94Å; Q458-R462 PolarHBondContact O-N 3.49Å
459M95.6Very high96.8Very high6 Ų621.3 Ų21.33%0.0311%0.108CC..Hα-helixtrans-60.9-52.3178.9179.2177.761.200111.8M142 F146 V149 Y353 R455 F456 G457 A461 R462 I463M142-M459 HydrophobicContact CB-SD 4.44Å; M142-M459 HydrophobicContact SD-CE 4.27Å; F146-M459 HydrophobicContact CB-SD 4.17Å; F146-M459 HydrophobicContact CD2-CG 4.08Å; F146-M459 HydrophobicContact CD2-SD 3.79Å; F146-M459 HydrophobicContact CG-SD 4.47Å; V149-M459 HydrophobicContact CG2-CE 3.92Å; Y353-M459 HydrophobicContact CE2-SD 4.38Å; R455-M459 WeakPolarHBondContact O-CB 3.3Å; R455-M459 PolarHBondContact O-N 2.79Å; F456-M459 HydrophobicContact CD2-CE 3.77Å; F456-M459 HydrophobicContact CE2-CE 4.13Å; F456-M459 PolarHBondContact O-N 3.41Å; G457-M459 PolarHBondContact O-N 2.73Å; M459-A461 VanDerWaalsContact C-N 3.35Å; M459-A461 PolarHBondContact O-N 3.08Å; M459-R462 PolarHBondContact O-N 3.47Å; M459-I463 HydrophobicContact CG-CD1 3.8Å; M459-I463 WeakPolarHBondContact O-CD1 3.29Å; M459-I463 VanDerWaalsContact O-CG1 3.3Å; M459-I463 WeakPolarHBondContact O-CG1 3.25Å; M459-I463 PolarHBondContact O-N 2.78Å
460Q95.8Very high96.7Very high0 Ų022 Ų220%011%0.113CC..Hα-helixtrans-66.4-36.8-18067.5177.5-40.800112.3V149 V186 G311 S315 F456 G457 I463 G464V149-Q460 HydrophobicContact CG1-CB 4.31Å; V186-Q460 HydrophobicContact CG1-CB 4.13Å; G311-Q460 PolarHBondContact O-NE2 2.55Å; S315-Q460 VanDerWaalsContact CB-NE2 3.28Å; S315-Q460 PolarHBondContact OG-NE2 2.97Å; F456-Q460 PolarHBondContact O-N 2.84Å; G457-Q460 WeakPolarHBondContact O-CG 3.41Å; Q460-I463 PolarHBondContact O-N 3.47Å; Q460-G464 PolarHBondContact O-N 2.81Å
461A97.8Very high96.6Very high3 Ų324.6 Ų24.63%0.02512%0.12CC..Hα-helixtrans-64.4-45.6177.200000111.8M319 I366 G457 Q458 M459 G464 L465M319-A461 HydrophobicContact CG-CB 4.05Å; I366-A461 HydrophobicContact CD1-CB 4.5Å; G457-A461 VanDerWaalsContact O-CB 3.27Å; G457-A461 WeakPolarHBondContact O-CB 3.43Å; G457-A461 PolarHBondContact O-N 3.37Å; Q458-A461 PolarHBondContact O-N 3.34Å; M459-A461 VanDerWaalsContact C-N 3.35Å; M459-A461 PolarHBondContact O-N 3.08Å; A461-G464 PolarHBondContact O-N 2.73Å; A461-L465 VanDerWaalsContact O-CB 3.31Å; A461-L465 WeakPolarHBondContact O-CB 3.23Å; A461-L465 WeakPolarHBondContact O-CD1 3.19Å; A461-L465 VanDerWaalsContact O-CG 3.24Å; A461-L465 WeakPolarHBondContact O-CG 3.39Å; A461-L465 PolarHBondContact O-N 2.96Å
462R97.9Very high96.6Very high46 Ų4622.2 Ų22.217%0.17410%0.103CC..Hα-helixtrans-62.1-47176.8-70.3165.5-173.6154.1-4.3111.8I356 L362 N363 I366 Q458 M459 A466I356-R462 HydrophobicContact CD1-CB 4.26Å; I356-R462 HydrophobicContact CG2-CB 3.67Å; I356-R462 VanDerWaalsContact CG2-CD 3.43Å; I356-R462 HydrophobicContact CG2-CG 4.17Å; L362-R462 HydrophobicContact CD2-CB 3.93Å; L362-R462 HydrophobicContact CD2-CG 4.1Å; L362-R462 HydrophobicContact CG-CG 4.42Å; N363-R462 PolarHBondContact OD1-NE 2.93Å; N363-R462 PolarHBondContact OD1-NH2 3.21Å; I366-R462 HydrophobicContact CD1-CB 4.48Å; I366-R462 HydrophobicContact CD1-CG 3.64Å; Q458-R462 WeakPolarHBondContact O-CB 3.15Å; Q458-R462 WeakPolarHBondContact O-CD 3.49Å; Q458-R462 WeakPolarHBondContact O-CG 2.94Å; Q458-R462 PolarHBondContact O-N 3.49Å; M459-R462 PolarHBondContact O-N 3.47Å; R462-A466 WeakPolarHBondContact O-CB 3.08Å; R462-A466 PolarHBondContact O-N 2.81Å
463I97.7Very high96.6Very high0 Ų025.8 Ų25.80%012%0.115CC..Hα-helixtrans-61.7-49.9179.2-69165.2000110.4F146 V149 I150 S153 I356 M459 Q460 L465 A466 Q467F146-I463 HydrophobicContact CD2-CD1 3.9Å; F146-I463 HydrophobicContact CE2-CD1 3.6Å; F146-I463 HydrophobicContact CE2-CG1 4.09Å; F146-I463 HydrophobicContact CZ-CD1 4.22Å; V149-I463 HydrophobicContact CB-CD1 3.93Å; V149-I463 HydrophobicContact CG1-CB 4.45Å; V149-I463 HydrophobicContact CG1-CD1 3.51Å; V149-I463 HydrophobicContact CG1-CG2 4.36Å; I150-I463 HydrophobicContact CD1-CD1 4.12Å; I150-I463 HydrophobicContact CD1-CG1 4.21Å; I150-I463 HydrophobicContact CD1-CG2 3.98Å; S153-I463 VanDerWaalsContact CB-CG2 3.46Å; I356-I463 HydrophobicContact CD1-CG1 3.99Å; I356-I463 HydrophobicContact CG1-CG1 4.06Å; M459-I463 HydrophobicContact CG-CD1 3.8Å; M459-I463 WeakPolarHBondContact O-CD1 3.29Å; M459-I463 VanDerWaalsContact O-CG1 3.3Å; M459-I463 WeakPolarHBondContact O-CG1 3.25Å; M459-I463 PolarHBondContact O-N 2.78Å; Q460-I463 PolarHBondContact O-N 3.47Å; I463-L465 PolarHBondContact O-N 2.76Å; I463-A466 PolarHBondContact O-N 2.71Å; I463-Q467 HydrophobicContact CG2-CG 4.35Å; I463-Q467 WeakPolarHBondContact O-CB 3.47Å; I463-Q467 WeakPolarHBondContact O-CG 3.49Å; I463-Q467 PolarHBondContact O-N 2.74Å
464G97.8Very high96.8Very high0 Ų025 Ų250%011%0.107CC..Hα-helixtrans-59.8-46.6-179.600000112.4Q460 A461 Q467 I468Q460-G464 PolarHBondContact O-N 2.81Å; A461-G464 PolarHBondContact O-N 2.73Å; G464-Q467 PolarHBondContact O-N 3.5Å; G464-I468 WeakPolarHBondContact O-CD1 3.23Å; G464-I468 VanDerWaalsContact O-CG1 3.29Å; G464-I468 WeakPolarHBondContact O-CG1 3.48Å; G464-I468 PolarHBondContact O-N 3.01Å
465L98.6Very high96.8Very high0 Ų023.5 Ų23.50%010%0.102CC..Hα-helixtrans-67.3-43.9178.2-70.2167.3000112.3M319 C322 L323 L362 I366 A461 I463 Q467 I468 I469M319-L465 HydrophobicContact CB-CD2 4.32Å; M319-L465 HydrophobicContact CB-CG 4.48Å; M319-L465 HydrophobicContact CG-CD1 4.36Å; M319-L465 HydrophobicContact CG-CD2 4.42Å; M319-L465 HydrophobicContact CG-CG 4.04Å; C322-L465 HydrophobicContact CB-CD1 4.07Å; C322-L465 HydrophobicContact CB-CD2 4Å; L323-L465 HydrophobicContact CD1-CD2 4.42Å; L323-L465 HydrophobicContact CD2-CD2 3.88Å; L323-L465 HydrophobicContact CG-CD2 3.8Å; L362-L465 HydrophobicContact CD1-CB 3.98Å; L362-L465 HydrophobicContact CD1-CD1 4.26Å; I366-L465 HydrophobicContact CD1-CD1 3.82Å; I366-L465 HydrophobicContact CG1-CD1 3.6Å; A461-L465 VanDerWaalsContact O-CB 3.31Å; A461-L465 WeakPolarHBondContact O-CB 3.23Å; A461-L465 WeakPolarHBondContact O-CD1 3.19Å; A461-L465 VanDerWaalsContact O-CG 3.24Å; A461-L465 WeakPolarHBondContact O-CG 3.39Å; A461-L465 PolarHBondContact O-N 2.96Å; I463-L465 PolarHBondContact O-N 2.76Å; L465-Q467 VanDerWaalsContact C-N 3.3Å; L465-Q467 PolarHBondContact O-N 2.89Å; L465-I468 PolarHBondContact O-N 2.88Å; L465-I469 WeakPolarHBondContact O-CB 3.25Å; L465-I469 WeakPolarHBondContact O-CG1 3.4Å; L465-I469 PolarHBondContact O-N 2.83Å
466A97.9Very high97Very high1 Ų120.3 Ų20.31%0.00810%0.096CC..Hα-helixtrans-59.7-43177.900000111.4I340 L351 I356 M359 L362 R462 I463 I468 S470I340-A466 HydrophobicContact CD1-CB 4.49Å; I340-A466 HydrophobicContact CG2-CB 4.32Å; L351-A466 HydrophobicContact CD2-CB 4.15Å; I356-A466 HydrophobicContact CD1-CB 4.3Å; M359-A466 HydrophobicContact CE-CB 4.37Å; M359-A466 HydrophobicContact SD-CB 4.06Å; L362-A466 HydrophobicContact CD2-CB 4.34Å; R462-A466 WeakPolarHBondContact O-CB 3.08Å; R462-A466 PolarHBondContact O-N 2.81Å; I463-A466 PolarHBondContact O-N 2.71Å; A466-I468 VanDerWaalsContact C-N 3.35Å; A466-I468 PolarHBondContact O-N 3.47Å; A466-S470 VanDerWaalsContact O-CB 3.24Å; A466-S470 WeakPolarHBondContact O-CB 3.12Å; A466-S470 PolarHBondContact O-N 2.88Å; A466-S470 VanDerWaalsContact O-N 3.12Å; A466-S470 PolarHBondContact O-OG 2.68Å; A466-S470 VanDerWaalsContact O-OG 3.08Å
467Q96.6Very high97.1Very high8 Ų820.5 Ų20.54%0.03710%0.099CC..Hα-helixtrans-61.7-39.8177.3-73-74.62700113.2S153 V157 L351 I463 G464 L465S153-Q467 PolarHBondContact OG-NE2 3.35Å; V157-Q467 HydrophobicContact CG2-CB 3.68Å; V157-Q467 HydrophobicContact CG2-CG 4.14Å; L351-Q467 HydrophobicContact CD1-CG 3.75Å; I463-Q467 HydrophobicContact CG2-CG 4.35Å; I463-Q467 WeakPolarHBondContact O-CB 3.47Å; I463-Q467 WeakPolarHBondContact O-CG 3.49Å; I463-Q467 PolarHBondContact O-N 2.74Å; G464-Q467 PolarHBondContact O-N 3.5Å; L465-Q467 VanDerWaalsContact C-N 3.3Å; L465-Q467 PolarHBondContact O-N 2.89Å
468I97.9Very high97Very high7 Ų728.1 Ų28.14%0.03614%0.137CC..Hα-helixtrans-72.5-57.4178.6-63.4164.2000110F156 I160 M179 L323 G464 L465 A466 S470 R471 F472 V474F156-I468 HydrophobicContact CE1-CD1 3.81Å; F156-I468 HydrophobicContact CE1-CG1 3.73Å; F156-I468 HydrophobicContact CZ-CD1 3.64Å; F156-I468 HydrophobicContact CZ-CG1 3.78Å; I160-I468 HydrophobicContact CD1-CG1 4.04Å; M179-I468 HydrophobicContact CE-CD1 3.73Å; M179-I468 HydrophobicContact SD-CD1 3.9Å; L323-I468 HydrophobicContact CD1-CD1 3.65Å; L323-I468 HydrophobicContact CD2-CB 4.5Å; L323-I468 HydrophobicContact CD2-CD1 4.25Å; L323-I468 HydrophobicContact CD2-CG2 3.92Å; G464-I468 WeakPolarHBondContact O-CD1 3.23Å; G464-I468 VanDerWaalsContact O-CG1 3.29Å; G464-I468 WeakPolarHBondContact O-CG1 3.48Å; G464-I468 PolarHBondContact O-N 3.01Å; L465-I468 PolarHBondContact O-N 2.88Å; A466-I468 VanDerWaalsContact C-N 3.35Å; A466-I468 PolarHBondContact O-N 3.47Å; I468-S470 VanDerWaalsContact C-N 3.28Å; I468-S470 PolarHBondContact O-N 3.41Å; I468-R471 PolarHBondContact O-N 2.88Å; I468-R471 VanDerWaalsContact O-N 3.1Å; I468-F472 HydrophobicContact CG2-CB 4.44Å; I468-F472 WeakPolarHBondContact O-CB 3.17Å; I468-F472 WeakPolarHBondContact O-CD2 3.48Å; I468-F472 PolarHBondContact O-N 3.42Å; I468-V474 HydrophobicContact CG2-CG1 4.19Å
469I98.1Very high97Very high0 Ų030.4 Ų30.40%015%0.153CC..Hα-helixtrans-67.3-28.9-168.8-62.6-56.3000112.4L323 L326 Q333 L336 R337 I340 L465 R471 V474L323-I469 HydrophobicContact CD2-CD1 3.9Å; L326-I469 HydrophobicContact CD1-CD1 3.77Å; L326-I469 HydrophobicContact CD1-CG1 4.06Å; Q333-I469 HydrophobicContact CG-CD1 4.07Å; L336-I469 HydrophobicContact CD2-CG1 4.26Å; L336-I469 HydrophobicContact CD2-CG2 4.28Å; L336-I469 HydrophobicContact CG-CG2 4.16Å; R337-I469 HydrophobicContact CB-CG2 3.87Å; R337-I469 WeakPolarHBondContact CD-O 3.22Å; R337-I469 HydrophobicContact CG-CG2 4.45Å; R337-I469 WeakPolarHBondContact CG-O 3.15Å; R337-I469 PolarHBondContact NE-O 2.94Å; I340-I469 HydrophobicContact CD1-CB 3.91Å; I340-I469 HydrophobicContact CD1-CG2 3.87Å; L465-I469 WeakPolarHBondContact O-CB 3.25Å; L465-I469 WeakPolarHBondContact O-CG1 3.4Å; L465-I469 PolarHBondContact O-N 2.83Å; I469-R471 VanDerWaalsContact C-N 3.27Å; I469-R471 PolarHBondContact O-N 2.94Å; I469-V474 HydrophobicContact CD1-CG2 4.26Å
470S95.6Very high97.1Very high17 Ų1730.8 Ų30.812%0.11916%0.156CC..THydrogen-bonded Turntrans-74.9-13.9177.7790000114.4A466 I468A466-S470 VanDerWaalsContact O-CB 3.24Å; A466-S470 WeakPolarHBondContact O-CB 3.12Å; A466-S470 PolarHBondContact O-N 2.88Å; A466-S470 VanDerWaalsContact O-N 3.12Å; A466-S470 PolarHBondContact O-OG 2.68Å; A466-S470 VanDerWaalsContact O-OG 3.08Å; I468-S470 VanDerWaalsContact C-N 3.28Å; I468-S470 PolarHBondContact O-N 3.41Å
471R94.9Very high97.1Very high97 Ų9734.9 Ų34.937%0.36618%0.176SC..THydrogen-bonded Turntrans-125.4-23.6-172.7-72.6172.2-178.775.2-1.6113.9I468 I469 I506I468-R471 PolarHBondContact O-N 2.88Å; I468-R471 VanDerWaalsContact O-N 3.1Å; I469-R471 VanDerWaalsContact C-N 3.27Å; I469-R471 PolarHBondContact O-N 2.94Å; R471-I506 PolarHBondContact O-N 3.45Å
472F97Very high97.1Very high3 Ų338.8 Ų38.81%0.01320%0.195CC..EExtended strand (participates in β ladder)trans-131.6144.1-174.1-54-85000110.2I160 V164 I468 V503 E504 R505I160-F472 HydrophobicContact CB-CE2 4.15Å; I160-F472 HydrophobicContact CB-CZ 3.93Å; I160-F472 HydrophobicContact CD1-CE2 4.49Å; I160-F472 HydrophobicContact CG2-CD1 4.11Å; I160-F472 HydrophobicContact CG2-CD2 4.2Å; I160-F472 HydrophobicContact CG2-CE1 3.64Å; I160-F472 HydrophobicContact CG2-CE2 3.76Å; I160-F472 HydrophobicContact CG2-CG 4.37Å; I160-F472 HydrophobicContact CG2-CZ 3.46Å; I160-F472 VanDerWaalsContact CG2-CZ 3.46Å; V164-F472 HydrophobicContact CB-CE1 4.33Å; V164-F472 HydrophobicContact CG2-CE1 4.46Å; I468-F472 HydrophobicContact CG2-CB 4.44Å; I468-F472 WeakPolarHBondContact O-CB 3.17Å; I468-F472 WeakPolarHBondContact O-CD2 3.48Å; I468-F472 PolarHBondContact O-N 3.42Å; F472-V503 HydrophobicContact CB-CG1 3.67Å; F472-V503 HydrophobicContact CD1-CG1 3.82Å; F472-V503 HydrophobicContact CG-CG1 3.89Å; F472-E504 CarbonylContact C-O 3.51Å; F472-E504 WeakPolarHBondContact CA-O 3.35Å; F472-E504 WeakPolarHBondContact CB-O 3.46Å; F472-R505 HydrophobicContact CD1-CG 4.11Å; F472-R505 HydrophobicContact CE1-CG 3.86Å
473R97.2Very high96.9Very high100 Ų10041.6 Ų41.638%0.37722%0.219SC..EExtended strand (participates in β ladder)trans-92.4132.1163.4-174179.6-172.5168.57.6108.2V503 E504 I506R473-V503 WeakPolarHBondContact O-CA 3.44Å; R473-E504 HydrophobicContact CB-CB 4.44Å; R473-E504 PolarHBondContact N-O 2.94Å; R473-E504 PolarHBondContact O-N 3.41Å; R473-I506 HydrophobicContact CB-CG1 4.2Å; R473-I506 HydrophobicContact CB-CD1 4.17Å
474V98Very high96.8Very high0 Ų042.4 Ų42.40%022%0.223CC..EExtended strand (participates in β ladder)trans-107135.5171.3-62.30000110.2L323 L326 A327 Q330 Q333 I468 I469 R502 V503L323-V474 HydrophobicContact CD2-CG1 4.34Å; L323-V474 HydrophobicContact CD2-CG2 4.24Å; L326-V474 HydrophobicContact CB-CG2 4.37Å; A327-V474 HydrophobicContact CB-CB 4.49Å; A327-V474 HydrophobicContact CB-CG2 4.25Å; Q330-V474 PolarHBondContact NE2-O 2.86Å; Q333-V474 PolarHBondContact NE2-O 2.86Å; I468-V474 HydrophobicContact CG2-CG1 4.19Å; I469-V474 HydrophobicContact CD1-CG2 4.26Å; V474-R502 VanDerWaalsContact CA-O 3.31Å; V474-R502 CarbonylContact C-O 3.28Å; V474-R502 WeakPolarHBondContact CA-O 3.18Å; V474-V503 HydrophobicContact CG1-CG2 4.25Å
475S98Very high96.7Very high20 Ų2047.8 Ų47.814%0.1425%0.247CC..EExtended strand (participates in β ladder)trans-141.6156-178.857.30000110.9R502 E504S475-R502 PolarHBondContact N-O 3.4Å; S475-R502 PolarHBondContact O-N 3.36Å; S475-R502 WeakPolarHBondContact OG-CB 3.41Å; S475-E504 PolarHBondContact OG-OE1 2.85Å
476V98Very high96.5Very high59 Ų5950.7 Ų50.736%0.35826%0.258SS..  trans-67.5152.5172.4-59.80000110A327 Q328 T480 I482A327-V476 HydrophobicContact CB-CG1 4.17Å; Q328-V476 HydrophobicContact CG-CG1 3.6Å; V476-T480 HydrophobicContact CB-CG2 4.38Å; V476-T480 HydrophobicContact CG1-CG2 4.23Å; V476-I482 HydrophobicContact CG1-CD1 3.81Å; V476-I482 HydrophobicContact CB-CD1 4.23Å
477C96Very high96.3Very high17 Ų1751.9 Ų51.912%0.11527%0.267CS..  trans-140.8175.817864.50000110.3V172 T479 T480 R502V172-C477 HydrophobicContact CG2-CB 4.32Å; C477-T479 PolarHBondContact O-N 3.38Å; C477-T479 PolarHBondContact SG-OG1 2.56Å; C477-T480 PolarHBondContact N-OG1 2.98Å; C477-T480 VanDerWaalsContact O-CB 3.3Å; C477-T480 WeakPolarHBondContact O-CB 3.37Å; C477-T480 PolarHBondContact O-N 2.79Å; C477-T480 PolarHBondContact O-OG1 3.26Å; C477-T480 PolarHBondContact SG-OG1 3.46Å; C477-R502 HydrophobicContact CB-CB 4.11Å
478D95.7Very high96Very high170 Ų17052.8 Ų52.891%0.90927%0.273SS*.THydrogen-bonded Turntrans-61.3-19.8-175.8-54.6-27.5000113.9
479T95.2Very high95.5Very high84 Ų8455.7 Ų55.752%0.51529%0.287SS..THydrogen-bonded Turntrans-94.2-2.9175.955.90000113.6C477 E481 Y500C477-T479 PolarHBondContact O-N 3.38Å; C477-T479 PolarHBondContact SG-OG1 2.56Å; T479-E481 PolarHBondContact O-N 2.84Å; T479-Y500 WeakPolarHBondContact OG1-CB 3.32Å
480T97.6Very high94.9Very high15 Ų1556.6 Ų56.69%0.09229%0.294CS..  trans-74.7116.1178.1-52.50000109.6Y324 V476 C477 I482 Y500 L501Y324-T480 HydrophobicContact CD2-CG2 4.29Å; Y324-T480 HydrophobicContact CE2-CG2 4.04Å; V476-T480 HydrophobicContact CB-CG2 4.38Å; V476-T480 HydrophobicContact CG1-CG2 4.23Å; C477-T480 PolarHBondContact N-OG1 2.98Å; C477-T480 VanDerWaalsContact O-CB 3.3Å; C477-T480 WeakPolarHBondContact O-CB 3.37Å; C477-T480 PolarHBondContact O-N 2.79Å; C477-T480 PolarHBondContact O-OG1 3.26Å; C477-T480 PolarHBondContact SG-OG1 3.46Å; T480-I482 HydrophobicContact CG2-CD1 4.11Å; T480-I482 HydrophobicContact CG2-CG1 3.88Å; T480-I482 PolarHBondContact O-N 3.2Å; T480-Y500 WeakPolarHBondContact CB-O 3.39Å; T480-Y500 PolarHBondContact OG1-O 3.28Å; T480-L501 HydrophobicContact CG2-CD2 3.86Å
481E96.6Very high94.2Very high86 Ų8660.2 Ų60.240%0.40231%0.31SS..  trans-74.4114.5175-177.693.1-127.700109.8T479 K485T479-E481 PolarHBondContact O-N 2.84Å; E481-K485 VanDerWaalsContact OE1-CE 3.28Å; E481-K485 PolarHBondContact OE2-NZ 3.34Å; E481-K485 IonicContact OE2-NZ 2.62Å; E481-K485 PolarHBondContact OE1-NZ 3.07Å; E481-K485 IonicContact OE1-NZ 3.4Å; E481-K485 WeakPolarHBondContact OE1-CE 3.46Å; E481-K485 HydrophobicContact CG-CG 4.44Å; E481-K485 VanDerWaalsContact CD-NZ 3.28Å
482I96.2Very high94Very high85 Ų8556.4 Ų56.444%0.43630%0.298SS..SBendtrans-129.6119177.8-55.6176.4000108.6Y324 Q328 V476 T480Y324-I482 HydrophobicContact CE2-CG1 4.13Å; Q328-I482 HydrophobicContact CG-CD1 4.2Å; V476-I482 HydrophobicContact CG1-CD1 3.81Å; V476-I482 HydrophobicContact CB-CD1 4.23Å; T480-I482 HydrophobicContact CG2-CD1 4.11Å; T480-I482 HydrophobicContact CG2-CG1 3.88Å; T480-I482 PolarHBondContact O-N 3.2Å
483P95.2Very high93.8Very high104 Ų10456.6 Ų56.668%0.67530%0.299SS*.SBendcis-72.6156.2-7.532.6-35.8000112.2K485P483-K485 PolarHBondContact O-N 3.49Å
484L95.5Very high93.6Very high18 Ų1852 Ų529%0.09428%0.283CS..PPolyproline II helixtrans-57.4136.6175-67.9174.4000112.1Y321 Y324 Y373 Y486 T495 I499Y321-L484 HydrophobicContact CD1-CD1 3.83Å; Y321-L484 HydrophobicContact CE1-CD1 3.83Å; Y324-L484 HydrophobicContact CD1-CD1 3.75Å; Y324-L484 HydrophobicContact CD1-CG 4.28Å; Y324-L484 HydrophobicContact CD2-CD1 4.14Å; Y324-L484 HydrophobicContact CD2-CD2 4.06Å; Y324-L484 HydrophobicContact CD2-CG 4.15Å; Y324-L484 HydrophobicContact CE1-CD1 3.78Å; Y324-L484 HydrophobicContact CE1-CG 3.88Å; Y324-L484 HydrophobicContact CE2-CD1 4.17Å; Y324-L484 HydrophobicContact CE2-CD2 3.78Å; Y324-L484 HydrophobicContact CE2-CG 3.72Å; Y324-L484 HydrophobicContact CG-CD1 3.95Å; Y324-L484 HydrophobicContact CG-CG 4.42Å; Y373-L484 HydrophobicContact CE1-CD1 4.21Å; L484-Y486 HydrophobicContact CB-CE1 4.41Å; L484-T495 HydrophobicContact CG-CG2 4.39Å; L484-T495 HydrophobicContact CD1-CG2 4.04Å; L484-T495 HydrophobicContact CB-CG2 4.27Å; L484-T495 HydrophobicContact CD2-CG2 4.14Å; L484-I499 HydrophobicContact CD1-CD1 3.95Å; L484-I499 HydrophobicContact CD2-CD1 4.3Å; L484-I499 HydrophobicContact CD2-CG1 4.07Å
485K94.8Very high93.3Very high113 Ų11352.4 Ų52.449%0.49129%0.285SS..PPolyproline II helixtrans-90.4134168.8-68.3172.3-179134.90109.7E481 P483 T495 V496E481-K485 VanDerWaalsContact OE1-CE 3.28Å; E481-K485 PolarHBondContact OE2-NZ 3.34Å; E481-K485 IonicContact OE2-NZ 2.62Å; E481-K485 PolarHBondContact OE1-NZ 3.07Å; E481-K485 IonicContact OE1-NZ 3.4Å; E481-K485 WeakPolarHBondContact OE1-CE 3.46Å; E481-K485 HydrophobicContact CG-CG 4.44Å; E481-K485 VanDerWaalsContact CD-NZ 3.28Å; P483-K485 PolarHBondContact O-N 3.49Å; K485-T495 CarbonylContact O-C 3.58Å; K485-T495 VanDerWaalsContact O-CA 3.25Å; K485-T495 WeakPolarHBondContact O-CA 3.29Å; K485-V496 HydrophobicContact CB-CB 4.15Å; K485-V496 HydrophobicContact CB-CG2 4.28Å; K485-V496 PolarHBondContact O-N 2.85Å
486Y95.1Very high92.8Very high61 Ų6155.4 Ų55.424%0.23930%0.303CS..BIsolated β-bridgetrans-102142.8179.3-56.6-72.1000112.9Y321 Y373 L484 P488 L493 G494 T495 V496Y321-Y486 HydrophobicContact CE1-CE1 4.35Å; Y373-Y486 WeakPolarHBondContact CD1-OH 3.4Å; Y373-Y486 WeakPolarHBondContact CE1-OH 3.39Å; L484-Y486 HydrophobicContact CB-CE1 4.41Å; Y486-P488 WeakPolarHBondContact O-CD 3.34Å; Y486-L493 HydrophobicContact CG-CG 4.46Å; Y486-L493 HydrophobicContact CG-CD1 3.74Å; Y486-L493 HydrophobicContact CE2-CD1 4.38Å; Y486-L493 HydrophobicContact CE1-CG 3.77Å; Y486-L493 HydrophobicContact CE1-CD1 3.85Å; Y486-L493 HydrophobicContact CD2-CD1 4.14Å; Y486-L493 HydrophobicContact CD1-CG 3.8Å; Y486-L493 HydrophobicContact CD1-CD1 3.59Å; Y486-L493 HydrophobicContact CE1-CD2 4.02Å; Y486-G494 CarbonylContact C-O 3.47Å; Y486-G494 WeakPolarHBondContact CA-O 3.38Å; Y486-T495 HydrophobicContact CD1-CG2 4.48Å; Y486-V496 WeakPolarHBondContact O-CG2 3.34Å
487S92.9Very high92.1Very high26 Ų2655.3 Ų55.318%0.18231%0.313CS..  trans-77.8116-177.3178.30000110.8M489 S490 G494S487-M489 PolarHBondContact O-N 3.38Å; S487-M489 VanDerWaalsContact O-N 3.11Å; S487-M489 PolarHBondContact OG-N 3.44Å; S487-S490 PolarHBondContact O-N 3.09Å; S487-G494 PolarHBondContact N-O 2.96Å
488P91.1Very high91.9Very high26 Ų2655.2 Ų55.217%0.16932%0.316CS..THydrogen-bonded Turntrans-66.1-12.4175.728.1-34.9000113R47 R50 Y486R47-P488 VanDerWaalsContact CA-O 3.28Å; R47-P488 WeakPolarHBondContact CA-O 3.33Å; R50-P488 WeakPolarHBondContact O-CB 3.42Å; Y486-P488 WeakPolarHBondContact O-CD 3.34Å
489M87.2Confident92Very high69 Ų6947.3 Ų47.334%0.3427%0.273SS..THydrogen-bonded Turntrans-85.7-19.8179.1-59.7-58144.100113.3R47 S487R47-M489 VanDerWaalsContact C-CE 3.42Å; R47-M489 HydrophobicContact CB-CE 4.48Å; R47-M489 HydrophobicContact CB-SD 4.09Å; R47-M489 VanDerWaalsContact CZ-O 3.3Å; R47-M489 PolarHBondContact NH1-O 3.16Å; R47-M489 PolarHBondContact NH2-O 3.12Å; R47-M489 WeakPolarHBondContact O-CE 3.46Å; S487-M489 PolarHBondContact O-N 3.38Å; S487-M489 VanDerWaalsContact O-N 3.11Å; S487-M489 PolarHBondContact OG-N 3.44Å
490S85.6Confident92.2Very high19 Ų1948.1 Ų48.113%0.13327%0.268CS..  trans-77.7139.3-178.8-177.40000110.9S487 V492S487-S490 PolarHBondContact O-N 3.09Å; S490-V492 WeakPolarHBondContact CB-O 2.93Å; S490-V492 PolarHBondContact OG-N 3.29Å; S490-V492 PolarHBondContact OG-O 3.03Å
491I81Confident92.2Very high92 Ų9247.4 Ų47.447%0.47226%0.263SS..SBendtrans-77.1-30.3175.2-59.1172000110.8
492V89.6Confident92.2Very high18 Ų1846.7 Ų46.711%0.10926%0.257CS..SBendtrans-100.6167.5171.8-63.50000110.4F214 E313 L375 V376 S490 G494F214-V492 HydrophobicContact CD1-CG1 4.45Å; F214-V492 HydrophobicContact CD1-CG2 4.1Å; F214-V492 HydrophobicContact CE1-CG1 4.23Å; F214-V492 HydrophobicContact CE1-CG2 4.37Å; E313-V492 HydrophobicContact CG-CG2 4.07Å; L375-V492 CarbonylContact O-C 3.59Å; L375-V492 VanDerWaalsContact O-CA 3.28Å; L375-V492 WeakPolarHBondContact O-CA 3.04Å; L375-V492 WeakPolarHBondContact O-CB 3.32Å; V376-V492 HydrophobicContact CG2-CG1 4.37Å; S490-V492 WeakPolarHBondContact CB-O 2.93Å; S490-V492 PolarHBondContact OG-N 3.29Å; S490-V492 PolarHBondContact OG-O 3.03Å; V492-G494 PolarHBondContact O-N 3.23Å
493L93.6Very high92.3Very high7 Ų742.8 Ų42.84%0.03724%0.237CC..SBendtrans-66.892174.5-169.570.5000110.6H53 Y321 Y373 L375 Y486H53-L493 HydrophobicContact CB-CD1 4.32Å; Y321-L493 PolarHBondContact OH-O 3.49Å; Y373-L493 HydrophobicContact CD1-CD2 4.29Å; L375-L493 HydrophobicContact CD2-CB 4.41Å; L375-L493 PolarHBondContact O-N 2.97Å; Y486-L493 HydrophobicContact CG-CG 4.46Å; Y486-L493 HydrophobicContact CG-CD1 3.74Å; Y486-L493 HydrophobicContact CE2-CD1 4.38Å; Y486-L493 HydrophobicContact CE1-CG 3.77Å; Y486-L493 HydrophobicContact CE1-CD1 3.85Å; Y486-L493 HydrophobicContact CD2-CD1 4.14Å; Y486-L493 HydrophobicContact CD1-CG 3.8Å; Y486-L493 HydrophobicContact CD1-CD1 3.59Å; Y486-L493 HydrophobicContact CE1-CD2 4.02Å
494G91.7Very high92.3Very high3 Ų340.2 Ų40.23%0.03122%0.216CC..  trans-116.1145.8177.200000111.4Y321 Y486 S487 V492Y321-G494 WeakPolarHBondContact OH-CA 3.23Å; Y486-G494 CarbonylContact C-O 3.47Å; Y486-G494 WeakPolarHBondContact CA-O 3.38Å; S487-G494 PolarHBondContact N-O 2.96Å; V492-G494 PolarHBondContact O-N 3.23Å
495T92.6Very high92.2Very high9 Ų944.5 Ų44.56%0.05523%0.231CC..BIsolated β-bridgetrans-72.4150.2175.750.80000113.6K176 Y321 L484 K485 Y486 G497 I499K176-T495 WeakPolarHBondContact CD-OG1 3.37Å; K176-T495 PolarHBondContact NZ-OG1 3.16Å; K176-T495 VanDerWaalsContact NZ-OG1 3.08Å; Y321-T495 HydrophobicContact CE1-CG2 3.77Å; L484-T495 HydrophobicContact CG-CG2 4.39Å; L484-T495 HydrophobicContact CD1-CG2 4.04Å; L484-T495 HydrophobicContact CB-CG2 4.27Å; L484-T495 HydrophobicContact CD2-CG2 4.14Å; K485-T495 CarbonylContact O-C 3.58Å; K485-T495 VanDerWaalsContact O-CA 3.25Å; K485-T495 WeakPolarHBondContact O-CA 3.29Å; Y486-T495 HydrophobicContact CD1-CG2 4.48Å; T495-G497 PolarHBondContact OG1-O 3.05Å; T495-I499 HydrophobicContact CG2-CD1 4.24Å; T495-I499 HydrophobicContact CG2-CG1 4.18Å
496V87.4Confident92Very high83 Ų8345.6 Ų45.650%0.50324%0.241SC..SBendtrans-73.5119.2157.8-179.80000106.7K485 Y486K485-V496 HydrophobicContact CB-CB 4.15Å; K485-V496 HydrophobicContact CB-CG2 4.28Å; K485-V496 PolarHBondContact O-N 2.85Å; Y486-V496 WeakPolarHBondContact O-CG2 3.34Å
497G84.5Confident91.9Very high56 Ų5644.9 Ų44.958%0.57724%0.241SC*.SBendtrans75.1-171.2-171.300000113.4T495T495-G497 PolarHBondContact OG1-O 3.05Å
498G91.2Very high91.8Very high16 Ų1645.8 Ų45.817%0.16524%0.244CC..  trans-87.9-178.7175.100000112.8E174E174-G498 VanDerWaalsContact OE1-CA 3.26Å; E174-G498 WeakPolarHBondContact OE1-CA 3.25Å
499I97.6Very high91.8Very high3 Ų346.9 Ų46.92%0.01525%0.248CC..  trans-110.8114.9169.6-60.5-176000107.4E174 I175 K176 Y321 Y324 L484 T495 L501E174-I499 CarbonylContact C-O 3.53Å; E174-I499 WeakPolarHBondContact CA-O 3.13Å; I175-I499 PolarHBondContact N-O 3.21Å; K176-I499 HydrophobicContact CB-CB 4.48Å; K176-I499 HydrophobicContact CB-CG1 4.45Å; Y321-I499 HydrophobicContact CD1-CD1 3.85Å; Y321-I499 HydrophobicContact CE1-CD1 3.94Å; Y324-I499 HydrophobicContact CD2-CG2 4.08Å; L484-I499 HydrophobicContact CD1-CD1 3.95Å; L484-I499 HydrophobicContact CD2-CD1 4.3Å; L484-I499 HydrophobicContact CD2-CG1 4.07Å; T495-I499 HydrophobicContact CG2-CD1 4.24Å; T495-I499 HydrophobicContact CG2-CG1 4.18Å; I499-L501 HydrophobicContact CG2-CD1 4.45Å; I499-L501 HydrophobicContact CG2-CD2 4.33Å; I499-L501 HydrophobicContact CG2-CG 4.13Å
500Y98.2Very high92.1Very high102 Ų10245.6 Ų45.640%0.424%0.242SC..EExtended strand (participates in β ladder)trans-101.6121.3-179.1-62.7-92.9000110V172 L173 E174 T479 T480V172-Y500 HydrophobicContact CG1-CD1 4.37Å; L173-Y500 WeakPolarHBondContact O-CA 3.34Å; E174-Y500 HydrophobicContact CB-CD1 3.94Å; E174-Y500 HydrophobicContact CB-CE1 3.66Å; E174-Y500 HydrophobicContact CG-CD1 4.03Å; E174-Y500 HydrophobicContact CG-CD2 4.48Å; E174-Y500 HydrophobicContact CG-CE1 3.61Å; E174-Y500 HydrophobicContact CG-CE2 4.09Å; E174-Y500 HydrophobicContact CG-CG 4.45Å; T479-Y500 WeakPolarHBondContact OG1-CB 3.32Å; T480-Y500 WeakPolarHBondContact CB-O 3.39Å; T480-Y500 PolarHBondContact OG1-O 3.28Å
501L98.2Very high92.5Very high0 Ų047.3 Ų47.30%025%0.249CC..EExtended strand (participates in β ladder)trans-128.5150.8176.4-57.9178.1000109.4V172 L173 I175 L323 A327 T480 I499V172-L501 WeakPolarHBondContact CA-O 3.11Å; L173-L501 PolarHBondContact N-O 3.08Å; L173-L501 PolarHBondContact O-N 3.26Å; L173-L501 VanDerWaalsContact O-N 3.12Å; I175-L501 HydrophobicContact CD1-CB 4.37Å; I175-L501 HydrophobicContact CG1-CB 3.81Å; I175-L501 HydrophobicContact CG1-CD1 3.86Å; I175-L501 HydrophobicContact CG1-CG 3.85Å; L323-L501 HydrophobicContact CB-CD1 4.02Å; L323-L501 WeakPolarHBondContact O-CD1 3.41Å; A327-L501 HydrophobicContact CB-CD1 3.89Å; A327-L501 HydrophobicContact CB-CD2 3.72Å; A327-L501 HydrophobicContact CB-CG 4.36Å; T480-L501 HydrophobicContact CG2-CD2 3.86Å; I499-L501 HydrophobicContact CG2-CD1 4.45Å; I499-L501 HydrophobicContact CG2-CD2 4.33Å; I499-L501 HydrophobicContact CG2-CG 4.13Å
502R97.3Very high93.3Very high70 Ų7044.3 Ų44.326%0.26423%0.234SC..EExtended strand (participates in β ladder)trans-78.2133.5166.8178.5177.6-54.3-74.1-5.1108.6N169 A171 V474 S475 C477 E504N169-R502 PolarHBondContact O-NH1 2.88Å; A171-R502 WeakPolarHBondContact O-CA 3.45Å; V474-R502 VanDerWaalsContact CA-O 3.31Å; V474-R502 CarbonylContact C-O 3.28Å; V474-R502 WeakPolarHBondContact CA-O 3.18Å; S475-R502 PolarHBondContact N-O 3.4Å; S475-R502 PolarHBondContact O-N 3.36Å; S475-R502 WeakPolarHBondContact OG-CB 3.41Å; C477-R502 HydrophobicContact CB-CB 4.11Å; R502-E504 HydrophobicContact CG-CG 4.1Å
503V97.8Very high93.5Very high3 Ų346.2 Ų46.22%0.01824%0.243CC..EExtended strand (participates in β ladder)trans-122.8123.5179.6-172.10000107.9I160 V164 G170 A171 L173 I175 F472 R473 V474I160-V503 HydrophobicContact CG2-CG1 4.31Å; V164-V503 WeakPolarHBondContact CG1-O 3.25Å; V164-V503 HydrophobicContact CG2-CB 3.94Å; V164-V503 HydrophobicContact CG2-CG1 3.86Å; G170-V503 CarbonylContact C-O 3.55Å; G170-V503 WeakPolarHBondContact CA-O 3.5Å; A171-V503 PolarHBondContact N-O 3.4Å; A171-V503 PolarHBondContact O-N 3.1Å; L173-V503 HydrophobicContact CB-CG2 4.18Å; L173-V503 HydrophobicContact CD1-CB 4.2Å; L173-V503 HydrophobicContact CD1-CG2 3.9Å; L173-V503 HydrophobicContact CG-CB 4.41Å; L173-V503 HydrophobicContact CG-CG2 4.01Å; I175-V503 HydrophobicContact CD1-CG2 3.89Å; F472-V503 HydrophobicContact CB-CG1 3.67Å; F472-V503 HydrophobicContact CD1-CG1 3.82Å; F472-V503 HydrophobicContact CG-CG1 3.89Å; R473-V503 WeakPolarHBondContact O-CA 3.44Å; V474-V503 HydrophobicContact CG1-CG2 4.25Å
504E96.1Very high93.5Very high50 Ų5049.2 Ų49.223%0.23426%0.259CS..EExtended strand (participates in β ladder)trans-122.7139.1-176.9-66163.9-10100109.1F472 R473 S475 R502F472-E504 CarbonylContact C-O 3.51Å; F472-E504 WeakPolarHBondContact CA-O 3.35Å; F472-E504 WeakPolarHBondContact CB-O 3.46Å; R473-E504 HydrophobicContact CB-CB 4.44Å; R473-E504 PolarHBondContact N-O 2.94Å; R473-E504 PolarHBondContact O-N 3.41Å; S475-E504 PolarHBondContact OG-OE1 2.85Å; R502-E504 HydrophobicContact CG-CG 4.1Å
505R93.8Very high93.7Very high109 Ų10953.1 Ų53.141%0.41128%0.278SS..EExtended strand (participates in β ladder)trans-71.8145.1173.2-61.9-171.2-169.4-1777.3109.8T161 V164 F472T161-R505 VanDerWaalsContact CG2-CZ 3.46Å; T161-R505 PolarHBondContact O-NH2 3Å; V164-R505 HydrophobicContact CG1-CG 3.91Å; V164-R505 PolarHBondContact O-NE 3.2Å; V164-R505 PolarHBondContact O-NH2 3.44Å; F472-R505 HydrophobicContact CD1-CG 4.11Å; F472-R505 HydrophobicContact CE1-CG 3.86Å
506I89.8Confident93.8Very high136 Ų13657.1 Ų57.170%0.69730%0.299SS*.  trans-99.10174.2-59.7177.5000109.9R471 R473R471-I506 PolarHBondContact O-N 3.45Å; R473-I506 HydrophobicContact CB-CG1 4.2Å; R473-I506 HydrophobicContact CB-CD1 4.17Å

Retrieved 506 of 506 residues in 1278 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).