OATA_STAA8 Loading...

O-acetyltransferase OatA

Responsible for O-acetylation at the C(6)-hydroxyl group of N-acetylmuramyl residues, forming the corresponding N,6-O-diacetylmuramic acid of the peptidoglycan1,2. O-acetylation of the peptidoglycan is the major determinant for lysozyme resistance3.

AlphaFold DB , UniProt , Accession Q2FV54, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene oatA, Length 603 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
1M60.6Low67.5Low131 Ų131113.8 Ų113.865%0.64553%0.53SS*.  0114.10-170177.7-171.200106.9D5 F6 L9M1-D5 HydrophobicContact CE-CB 3.81Å; M1-D5 WeakPolarHBondContact CE-O 3.29Å; M1-D5 HydrophobicContact CG-CB 3.86Å; M1-F6 VanDerWaalsContact CE-CA 3.48Å; M1-F6 HydrophobicContact CE-CB 4.27Å; M1-F6 HydrophobicContact SD-CB 4.23Å; M1-F6 HydrophobicContact SD-CD2 4.15Å; M1-L9 HydrophobicContact CE-CB 3.87Å; M1-L9 HydrophobicContact CE-CD1 3.08Å; M1-L9 HydrophobicContact CE-CG 3.31Å; M1-L9 HydrophobicContact SD-CD1 4.33Å
2D70.4Confident67.1Low91 Ų91111.3 Ų111.349%0.48752%0.52SS..  trans-65.6151.8177.8179.419.9000109.9K4 D5 F6D2-K4 PolarHBondContact O-N 3.05Å; D2-D5 WeakPolarHBondContact O-CB 3.36Å; D2-D5 PolarHBondContact O-N 3.19Å; D2-F6 PolarHBondContact O-N 3.37Å
3T71.6Confident67.5Low96 Ų96107.1 Ų107.159%0.58950%0.497SS*.Hα-helixtrans-52.1-34.9178.654.90000113.4F6 K7T3-F6 PolarHBondContact O-N 3.46Å; T3-K7 WeakPolarHBondContact O-CG 3.34Å; T3-K7 PolarHBondContact O-N 3.32Å
4K65.1Low67.6Low159 Ų159103.1 Ų103.169%0.69149%0.487SS*.Hα-helixtrans-65.7-44.8175-72.4-175.4-177.1175.20111.9D2 F6 K7 R8D2-K4 PolarHBondContact O-N 3.05Å; K4-F6 VanDerWaalsContact C-N 3.33Å; K4-K7 PolarHBondContact O-N 3.48Å; K4-R8 WeakPolarHBondContact O-CB 3.45Å; K4-R8 PolarHBondContact O-N 3.16Å
5D66.9Low68Low81 Ų81100.5 Ų100.543%0.43348%0.483SS..Hα-helixtrans-63.4-43176.2-67-32.7000110.3M1 D2 K7 R8 L9M1-D5 HydrophobicContact CE-CB 3.81Å; M1-D5 WeakPolarHBondContact CE-O 3.29Å; M1-D5 HydrophobicContact CG-CB 3.86Å; D2-D5 WeakPolarHBondContact O-CB 3.36Å; D2-D5 PolarHBondContact O-N 3.19Å; D5-K7 PolarHBondContact O-N 3.47Å; D5-R8 WeakPolarHBondContact O-CB 3.21Å; D5-R8 PolarHBondContact O-N 3.3Å; D5-L9 WeakPolarHBondContact O-CG 3.36Å; D5-L9 PolarHBondContact O-N 2.77Å
6F68.3Low68.7Low75 Ų75101.4 Ų101.433%0.32948%0.48SS..Hα-helixtrans-61.4-47.5179.4-177.4-94.4000111.2M1 D2 T3 K4 R8 L9 E10 R70M1-F6 VanDerWaalsContact CE-CA 3.48Å; M1-F6 HydrophobicContact CE-CB 4.27Å; M1-F6 HydrophobicContact SD-CB 4.23Å; M1-F6 HydrophobicContact SD-CD2 4.15Å; D2-F6 PolarHBondContact O-N 3.37Å; T3-F6 PolarHBondContact O-N 3.46Å; K4-F6 VanDerWaalsContact C-N 3.33Å; F6-R8 VanDerWaalsContact C-N 3.29Å; F6-R8 PolarHBondContact O-N 2.98Å; F6-L9 PolarHBondContact O-N 3Å; F6-E10 HydrophobicContact CE1-CB 4.46Å; F6-E10 WeakPolarHBondContact O-CB 3.45Å; F6-E10 PolarHBondContact O-N 3.02Å; F6-R70 HydrophobicContact CE2-CG 4.2Å
7K64.5Low69.7Low146 Ų146103.2 Ų103.264%0.63548%0.482SS*.Hα-helixtrans-60-38.5175.3-74.8179.3179.8-179.70112.2T3 K4 D5 K11T3-K7 WeakPolarHBondContact O-CG 3.34Å; T3-K7 PolarHBondContact O-N 3.32Å; K4-K7 PolarHBondContact O-N 3.48Å; D5-K7 PolarHBondContact O-N 3.47Å; K7-K11 WeakPolarHBondContact O-CB 3.47Å; K7-K11 PolarHBondContact O-N 2.78Å
8R66Low70.8Confident168 Ų16898.6 Ų98.663%0.63446%0.461SS*.Hα-helixtrans-64.6-49.6176.3-178.2-178.3175.8-179.30.8111.3K4 D5 F6 E10 K11 M12K4-R8 WeakPolarHBondContact O-CB 3.45Å; K4-R8 PolarHBondContact O-N 3.16Å; D5-R8 WeakPolarHBondContact O-CB 3.21Å; D5-R8 PolarHBondContact O-N 3.3Å; F6-R8 VanDerWaalsContact C-N 3.29Å; F6-R8 PolarHBondContact O-N 2.98Å; R8-E10 VanDerWaalsContact C-N 3.33Å; R8-K11 PolarHBondContact O-N 3.14Å; R8-M12 HydrophobicContact CG-SD 4.09Å; R8-M12 WeakPolarHBondContact O-CB 3.44Å; R8-M12 WeakPolarHBondContact O-CG 3.43Å; R8-M12 PolarHBondContact O-N 3.2Å
9L70.2Confident72Confident39 Ų3995.4 Ų95.420%0.20445%0.45CS..Hα-helixtrans-66.3-37.6177.8-63.6-158.9000111.5M1 D5 F6 M12 Y13 Y69M1-L9 HydrophobicContact CE-CB 3.87Å; M1-L9 HydrophobicContact CE-CD1 3.08Å; M1-L9 HydrophobicContact CE-CG 3.31Å; M1-L9 HydrophobicContact SD-CD1 4.33Å; D5-L9 WeakPolarHBondContact O-CG 3.36Å; D5-L9 PolarHBondContact O-N 2.77Å; F6-L9 PolarHBondContact O-N 3Å; L9-M12 PolarHBondContact O-N 2.86Å; L9-Y13 HydrophobicContact CB-CD2 4.22Å; L9-Y13 HydrophobicContact CD2-CD2 4.31Å; L9-Y13 HydrophobicContact CD2-CE2 3.98Å; L9-Y13 WeakPolarHBondContact O-CB 3.5Å; L9-Y13 VanDerWaalsContact O-CD2 3.32Å; L9-Y13 WeakPolarHBondContact O-CD2 3.45Å; L9-Y13 PolarHBondContact O-N 3.5Å; L9-Y69 VanDerWaalsContact CD1-O 3.31Å; L9-Y69 WeakPolarHBondContact CD1-O 2.97Å
10E70.6Confident73.1Confident74 Ų7490.7 Ų90.735%0.34643%0.428SS..Hα-helixtrans-59.7-48174.5-177.5169.1-140.700111.2F6 R8 M12 S14 R70F6-E10 HydrophobicContact CE1-CB 4.46Å; F6-E10 WeakPolarHBondContact O-CB 3.45Å; F6-E10 PolarHBondContact O-N 3.02Å; R8-E10 VanDerWaalsContact C-N 3.33Å; E10-M12 VanDerWaalsContact C-N 3.32Å; E10-M12 PolarHBondContact O-N 2.97Å; E10-S14 WeakPolarHBondContact O-CA 3.11Å; E10-S14 WeakPolarHBondContact O-CB 3.21Å; E10-S14 PolarHBondContact O-N 3.44Å; E10-R70 IonicContact OE1-NH1 2.76Å
11K68.5Low74.2Confident192 Ų19286.4 Ų86.484%0.83541%0.408SS*.Hα-helixtrans-62-39.6176.2-172.9177.6-179.7-179.90112.5K7 R8K7-K11 WeakPolarHBondContact O-CB 3.47Å; K7-K11 PolarHBondContact O-N 2.78Å; R8-K11 PolarHBondContact O-N 3.14Å
12M61.9Low75.8Confident84 Ų8480.9 Ų80.941%0.41438%0.381SS..Hα-helixtrans-74.1-37-177.3-76178.152.700113.3R8 L9 E10R8-M12 HydrophobicContact CG-SD 4.09Å; R8-M12 WeakPolarHBondContact O-CB 3.44Å; R8-M12 WeakPolarHBondContact O-CG 3.43Å; R8-M12 PolarHBondContact O-N 3.2Å; L9-M12 PolarHBondContact O-N 2.86Å; E10-M12 VanDerWaalsContact C-N 3.32Å; E10-M12 PolarHBondContact O-N 2.97Å
13Y72.2Confident77.1Confident56 Ų5676.5 Ų76.522%0.2236%0.357CS..Hα-helixtrans-115.46.1-168.7-62.1-72.5000113.6L9 S66 Y69 F229L9-Y13 HydrophobicContact CB-CD2 4.22Å; L9-Y13 HydrophobicContact CD2-CD2 4.31Å; L9-Y13 HydrophobicContact CD2-CE2 3.98Å; L9-Y13 WeakPolarHBondContact O-CB 3.5Å; L9-Y13 VanDerWaalsContact O-CD2 3.32Å; L9-Y13 WeakPolarHBondContact O-CD2 3.45Å; L9-Y13 PolarHBondContact O-N 3.5Å; Y13-S66 WeakPolarHBondContact O-CB 3.13Å; Y13-S66 PolarHBondContact O-OG 2.85Å; Y13-Y69 AromaticContact CD1-CD2 3.87Å; Y13-Y69 HydrophobicContact CD1-CD2 3.87Å; Y13-Y69 HydrophobicContact CD1-CG 4.37Å; Y13-Y69 AromaticContact CE1-CD2 3.61Å; Y13-Y69 HydrophobicContact CE1-CD2 3.61Å; Y13-Y69 HydrophobicContact CE1-CE2 4.5Å; Y13-Y69 HydrophobicContact CE1-CG 4.21Å; Y13-F229 AromaticContact CD1-CD2 3.47Å; Y13-F229 HydrophobicContact CD1-CD2 3.47Å; Y13-F229 VanDerWaalsContact CD1-CD2 3.47Å; Y13-F229 AromaticContact CD1-CE2 3.46Å; Y13-F229 HydrophobicContact CD1-CE2 3.46Å; Y13-F229 VanDerWaalsContact CD1-CE2 3.46Å; Y13-F229 HydrophobicContact CD1-CG 4.34Å; Y13-F229 HydrophobicContact CD1-CZ 4.31Å; Y13-F229 HydrophobicContact CE1-CD2 4.02Å; Y13-F229 AromaticContact CE1-CE2 3.76Å; Y13-F229 HydrophobicContact CE1-CE2 3.76Å
14S69.1Low78.3Confident52 Ų5272 Ų7236%0.36433%0.33SS..PPolyproline II helixtrans-59.8134.3179.5-176.60000111.9E10 R16E10-S14 WeakPolarHBondContact O-CA 3.11Å; E10-S14 WeakPolarHBondContact O-CB 3.21Å; E10-S14 PolarHBondContact O-N 3.44Å; S14-R16 PolarHBondContact O-N 3.32Å
15P74.8Confident79.9Confident64 Ų6465.4 Ų65.442%0.41630%0.3SS..PPolyproline II helixtrans-64.1131176.826.5-33.8000110.8L63P15-L63 HydrophobicContact CB-CD2 3.76Å
16R78.2Confident81.4Confident115 Ų11561.6 Ų61.643%0.43428%0.28SS..PPolyproline II helixtrans-96.1144.6176.9-56.9-178.3-163.1171.96.1109.8S14 L18 F229 L231S14-R16 PolarHBondContact O-N 3.32Å; R16-L18 HydrophobicContact CB-CD2 4.39Å; R16-L18 PolarHBondContact O-N 3.02Å; R16-F229 PolarHBondContact NH2-O 3.29Å; R16-L231 PolarHBondContact NH1-O 3.32Å; R16-L231 PolarHBondContact NH2-O 3.03Å; R16-L231 VanDerWaalsContact NH2-O 3.15Å
17Y85.6Confident82.8Confident131 Ų13160.2 Ų60.251%0.51427%0.274SS..PPolyproline II helixtrans-68129.9165175.9-122.1000109.1P19 D22 K308Y17-P19 HydrophobicContact CD1-CB 4.47Å; Y17-P19 HydrophobicContact CE1-CB 3.86Å; Y17-P19 HydrophobicContact CE1-CG 4.42Å; Y17-P19 WeakPolarHBondContact O-CD 3.38Å; Y17-D22 VanDerWaalsContact CE2-OD2 3.3Å; Y17-D22 WeakPolarHBondContact CE2-OD2 3.45Å; Y17-D22 VanDerWaalsContact CZ-OD2 3.3Å; Y17-D22 PolarHBondContact OH-OD2 2.99Å; Y17-K308 WeakPolarHBondContact OH-CE 3.49Å
18L90.5Very high84.4Confident20 Ų2053.3 Ų53.311%0.10524%0.244CC..  trans-11379.1-172.6-60.7176.1000110.5R16 G20 L21 Y58 L59 P228 V288R16-L18 HydrophobicContact CB-CD2 4.39Å; R16-L18 PolarHBondContact O-N 3.02Å; L18-G20 VanDerWaalsContact C-N 3.28Å; L18-G20 PolarHBondContact O-N 2.7Å; L18-L21 HydrophobicContact CB-CB 4.45Å; L18-L21 HydrophobicContact CB-CD1 3.95Å; L18-L21 HydrophobicContact CB-CG 4.05Å; L18-L21 HydrophobicContact CD1-CD1 3.68Å; L18-L21 HydrophobicContact CD1-CG 4.5Å; L18-L21 HydrophobicContact CG-CD1 4.48Å; L18-L21 PolarHBondContact O-N 2.98Å; L18-L21 VanDerWaalsContact O-N 3.13Å; L18-Y58 HydrophobicContact CD1-CE1 4.2Å; L18-L59 HydrophobicContact CD1-CD1 4.48Å; L18-P228 HydrophobicContact CD1-CB 3.94Å; L18-P228 HydrophobicContact CD1-CG 4.13Å; L18-P228 HydrophobicContact CD2-CB 3.95Å; L18-V288 HydrophobicContact CD1-CG1 4Å; L18-V288 HydrophobicContact CD2-CB 4.24Å; L18-V288 HydrophobicContact CD2-CG1 4.41Å
19P92.4Very high85.9Confident39 Ų3945.3 Ų45.325%0.25321%0.214SC..Hα-helixtrans-61.4-32.5-174.224.3-34.7000113.4Y17 L21 D22 G23 S299 L304Y17-P19 HydrophobicContact CD1-CB 4.47Å; Y17-P19 HydrophobicContact CE1-CB 3.86Å; Y17-P19 HydrophobicContact CE1-CG 4.42Å; Y17-P19 WeakPolarHBondContact O-CD 3.38Å; P19-L21 PolarHBondContact O-N 2.78Å; P19-D22 WeakPolarHBondContact O-CB 3.49Å; P19-D22 PolarHBondContact O-N 2.81Å; P19-G23 PolarHBondContact O-N 3.03Å; P19-G23 VanDerWaalsContact O-N 3.13Å; P19-S299 WeakPolarHBondContact CB-OG 3.37Å; P19-S299 WeakPolarHBondContact CG-OG 3.45Å; P19-L304 HydrophobicContact CB-CD1 4.48Å; P19-L304 HydrophobicContact CB-CD2 3.73Å; P19-L304 VanDerWaalsContact O-CD2 3.28Å; P19-L304 WeakPolarHBondContact O-CD2 3.37Å
20G94Very high87.3Confident1 Ų146.3 Ų46.31%0.0122%0.219CC..Hα-helixtrans-62-29.6177.200000113.5L18 G23 L24 A287 S299L18-G20 VanDerWaalsContact C-N 3.28Å; L18-G20 PolarHBondContact O-N 2.7Å; G20-G23 PolarHBondContact O-N 2.96Å; G20-L24 PolarHBondContact O-N 2.85Å; G20-A287 WeakPolarHBondContact CA-O 3.32Å; G20-S299 PolarHBondContact N-OG 3.27Å
21L96.1Very high88.5Confident1 Ų142.9 Ų42.91%0.00520%0.203CC..Hα-helixtrans-70.5-33.6173.4-63.7-175.4000112.3L18 P19 G23 L24 R25 Y58 I284 A287 V288L18-L21 HydrophobicContact CB-CB 4.45Å; L18-L21 HydrophobicContact CB-CD1 3.95Å; L18-L21 HydrophobicContact CB-CG 4.05Å; L18-L21 HydrophobicContact CD1-CD1 3.68Å; L18-L21 HydrophobicContact CD1-CG 4.5Å; L18-L21 HydrophobicContact CG-CD1 4.48Å; L18-L21 PolarHBondContact O-N 2.98Å; L18-L21 VanDerWaalsContact O-N 3.13Å; P19-L21 PolarHBondContact O-N 2.78Å; L21-G23 VanDerWaalsContact C-N 3.29Å; L21-L24 PolarHBondContact O-N 2.94Å; L21-R25 VanDerWaalsContact O-CG 3.27Å; L21-R25 WeakPolarHBondContact O-CG 3.31Å; L21-R25 PolarHBondContact O-N 3.22Å; L21-Y58 HydrophobicContact CD1-CD1 4.11Å; L21-Y58 HydrophobicContact CD1-CE1 4.18Å; L21-I284 HydrophobicContact CD2-CG1 4.3Å; L21-I284 HydrophobicContact CD2-CG2 4.09Å; L21-A287 HydrophobicContact CD2-CB 4.32Å; L21-V288 HydrophobicContact CD1-CG1 3.93Å; L21-V288 HydrophobicContact CD2-CG1 3.65Å; L21-V288 HydrophobicContact CG-CG1 3.7Å
22D95.6Very high89.9Confident14 Ų1433.7 Ų33.78%0.07516%0.163CC..Hα-helixtrans-66-37.3173.1-69.3-22.2000110.3Y17 P19 R25 A26 L304 G307Y17-D22 VanDerWaalsContact CE2-OD2 3.3Å; Y17-D22 WeakPolarHBondContact CE2-OD2 3.45Å; Y17-D22 VanDerWaalsContact CZ-OD2 3.3Å; Y17-D22 PolarHBondContact OH-OD2 2.99Å; P19-D22 WeakPolarHBondContact O-CB 3.49Å; P19-D22 PolarHBondContact O-N 2.81Å; D22-R25 WeakPolarHBondContact O-CB 3.13Å; D22-R25 PolarHBondContact O-N 2.85Å; D22-R25 IonicContact OD1-NH1 2.7Å; D22-R25 PolarHBondContact OD1-NH1 3.46Å; D22-A26 PolarHBondContact O-N 2.8Å; D22-L304 HydrophobicContact CB-CD2 3.95Å; D22-G307 WeakPolarHBondContact O-CA 3.28Å
23G97Very high91.6Very high0 Ų030.8 Ų30.80%015%0.149CC..Hα-helixtrans-60-47.3171.700000113.7P19 G20 L21 R25 A26 F27 L298P19-G23 PolarHBondContact O-N 3.03Å; P19-G23 VanDerWaalsContact O-N 3.13Å; G20-G23 PolarHBondContact O-N 2.96Å; L21-G23 VanDerWaalsContact C-N 3.29Å; G23-R25 VanDerWaalsContact C-N 3.33Å; G23-R25 PolarHBondContact O-N 3.39Å; G23-A26 VanDerWaalsContact O-CB 3.28Å; G23-A26 WeakPolarHBondContact O-CB 3.33Å; G23-A26 PolarHBondContact O-N 3.02Å; G23-A26 VanDerWaalsContact O-N 3.08Å; G23-F27 WeakPolarHBondContact O-CD2 3.48Å; G23-F27 PolarHBondContact O-N 3.44Å; G23-L298 WeakPolarHBondContact CA-O 3.45Å
24L97.2Very high92.8Very high1 Ų130.7 Ų30.71%0.00515%0.152CC..Hα-helixtrans-63.2-39.9177-174.357.7000111.9G20 L21 A26 F27 A28 T51 I55 F251 I283 I284G20-L24 PolarHBondContact O-N 2.85Å; L21-L24 PolarHBondContact O-N 2.94Å; L24-A26 PolarHBondContact O-N 3.43Å; L24-F27 PolarHBondContact O-N 3.26Å; L24-A28 PolarHBondContact O-N 2.91Å; L24-T51 HydrophobicContact CD1-CG2 4.11Å; L24-T51 HydrophobicContact CD2-CG2 4.05Å; L24-T51 HydrophobicContact CG-CG2 3.8Å; L24-I55 HydrophobicContact CB-CD1 4.22Å; L24-I55 HydrophobicContact CD2-CD1 3.83Å; L24-I55 HydrophobicContact CD2-CG1 4.18Å; L24-I55 HydrophobicContact CG-CD1 3.9Å; L24-F251 HydrophobicContact CD1-CD2 4.38Å; L24-F251 HydrophobicContact CD1-CE2 4.37Å; L24-I283 HydrophobicContact CD1-CG2 3.81Å; L24-I283 HydrophobicContact CD2-CB 4.45Å; L24-I283 HydrophobicContact CD2-CG2 3.89Å; L24-I283 HydrophobicContact CG-CG2 4.47Å; L24-I284 HydrophobicContact CD2-CG1 3.81Å
25R97.9Very high94Very high21 Ų2128.4 Ų28.48%0.07914%0.135CC..Hα-helixtrans-59.7-34.1172-73.7-179.6-180117.26.9112.8L21 D22 G23 A28 V29 F52 I55L21-R25 VanDerWaalsContact O-CG 3.27Å; L21-R25 WeakPolarHBondContact O-CG 3.31Å; L21-R25 PolarHBondContact O-N 3.22Å; D22-R25 WeakPolarHBondContact O-CB 3.13Å; D22-R25 PolarHBondContact O-N 2.85Å; D22-R25 IonicContact OD1-NH1 2.7Å; D22-R25 PolarHBondContact OD1-NH1 3.46Å; G23-R25 VanDerWaalsContact C-N 3.33Å; G23-R25 PolarHBondContact O-N 3.39Å; R25-A28 PolarHBondContact O-N 2.91Å; R25-V29 WeakPolarHBondContact O-CG1 3.35Å; R25-V29 PolarHBondContact O-N 3.01Å; R25-F52 HydrophobicContact CB-CE1 3.82Å; R25-F52 HydrophobicContact CB-CZ 4.16Å; R25-F52 HydrophobicContact CG-CD1 4.15Å; R25-F52 HydrophobicContact CG-CE1 3.58Å; R25-F52 HydrophobicContact CG-CZ 4.38Å; R25-F52 WeakPolarHBondContact O-CZ 3.44Å; R25-I55 HydrophobicContact CG-CD1 3.91Å
26A98.2Very high94.9Very high0 Ų026.5 Ų26.50%012%0.121CC..Hα-helixtrans-63.5-47.2177.100000111.2D22 G23 L24 A28 V29 I30 L303 I306D22-A26 PolarHBondContact O-N 2.8Å; G23-A26 VanDerWaalsContact O-CB 3.28Å; G23-A26 WeakPolarHBondContact O-CB 3.33Å; G23-A26 PolarHBondContact O-N 3.02Å; G23-A26 VanDerWaalsContact O-N 3.08Å; L24-A26 PolarHBondContact O-N 3.43Å; A26-A28 PolarHBondContact O-N 3.34Å; A26-V29 WeakPolarHBondContact O-CG1 3.34Å; A26-V29 PolarHBondContact O-N 3.05Å; A26-I30 WeakPolarHBondContact O-CB 3.18Å; A26-I30 WeakPolarHBondContact O-CD1 3.21Å; A26-I30 WeakPolarHBondContact O-CG1 3.43Å; A26-I30 PolarHBondContact O-N 2.9Å; A26-L303 HydrophobicContact CB-CB 4.34Å; A26-L303 HydrophobicContact CB-CD2 4.07Å; A26-L303 WeakPolarHBondContact CB-O 3.34Å; A26-I306 HydrophobicContact CB-CB 3.88Å; A26-I306 HydrophobicContact CB-CG2 3.76Å
27F98.1Very high95.6Very high46 Ų4621.6 Ų21.620%0.20210%0.103CC..Hα-helixtrans-61.9-43.7175-75.2-76.2000112.2G23 L24 I30 G31 F251 M255 F297 L298 L303G23-F27 WeakPolarHBondContact O-CD2 3.48Å; G23-F27 PolarHBondContact O-N 3.44Å; L24-F27 PolarHBondContact O-N 3.26Å; F27-I30 PolarHBondContact O-N 2.81Å; F27-G31 PolarHBondContact O-N 3.38Å; F27-F251 HydrophobicContact CB-CE2 4.39Å; F27-F251 HydrophobicContact CD1-CE2 4.46Å; F27-F251 AromaticContact CD1-CZ 3.91Å; F27-F251 HydrophobicContact CD1-CZ 3.91Å; F27-F251 AromaticContact CD2-CE2 3.88Å; F27-F251 HydrophobicContact CD2-CE2 3.88Å; F27-F251 AromaticContact CD2-CZ 3.8Å; F27-F251 HydrophobicContact CD2-CZ 3.8Å; F27-F251 AromaticContact CE1-CZ 3.9Å; F27-F251 HydrophobicContact CE1-CZ 3.9Å; F27-F251 HydrophobicContact CE2-CE2 4.25Å; F27-F251 AromaticContact CE2-CZ 3.79Å; F27-F251 HydrophobicContact CE2-CZ 3.79Å; F27-F251 AromaticContact CG-CE2 4Å; F27-F251 HydrophobicContact CG-CE2 4Å; F27-F251 AromaticContact CG-CZ 3.86Å; F27-F251 HydrophobicContact CG-CZ 3.86Å; F27-F251 AromaticContact CZ-CZ 3.85Å; F27-F251 HydrophobicContact CZ-CZ 3.85Å; F27-M255 HydrophobicContact CD1-SD 4.18Å; F27-F297 HydrophobicContact CE2-CE1 4.18Å; F27-F297 HydrophobicContact CZ-CE1 4.16Å; F27-F297 HydrophobicContact CZ-CZ 4.16Å; F27-L298 HydrophobicContact CD2-CD2 4.08Å; F27-L298 HydrophobicContact CE2-CD2 3.82Å; F27-L303 HydrophobicContact CD2-CD2 4.36Å; F27-L303 HydrophobicContact CE2-CD1 3.67Å; F27-L303 HydrophobicContact CE2-CD2 3.83Å; F27-L303 HydrophobicContact CE2-CG 4.42Å; F27-L303 HydrophobicContact CZ-CD1 4.16Å; F27-L303 HydrophobicContact CZ-CD2 4.01Å
28A98.2Very high95.8Very high1 Ų116.9 Ų16.91%0.0089%0.087CC..Hα-helixtrans-60.5-48.3178.500000112.5L24 R25 A26 G31 I32 T51 F52L24-A28 PolarHBondContact O-N 2.91Å; R25-A28 PolarHBondContact O-N 2.91Å; A26-A28 PolarHBondContact O-N 3.34Å; A28-G31 PolarHBondContact O-N 3.14Å; A28-I32 VanDerWaalsContact O-CG1 3.28Å; A28-I32 WeakPolarHBondContact O-CG1 3.32Å; A28-I32 PolarHBondContact O-N 2.85Å; A28-I32 VanDerWaalsContact O-N 3.09Å; A28-T51 HydrophobicContact CB-CG2 4.06Å; A28-F52 HydrophobicContact CB-CD2 3.91Å; A28-F52 HydrophobicContact CB-CE2 3.51Å; A28-F52 HydrophobicContact CB-CZ 4Å
29V98.3Very high95.6Very high0 Ų016.9 Ų16.90%09%0.089CC..Hα-helixtrans-69.3-36.3179.972.80000112.4R25 A26 G31 I32 I33 F52 I306 L313R25-V29 WeakPolarHBondContact O-CG1 3.35Å; R25-V29 PolarHBondContact O-N 3.01Å; A26-V29 WeakPolarHBondContact O-CG1 3.34Å; A26-V29 PolarHBondContact O-N 3.05Å; V29-G31 VanDerWaalsContact C-N 3.34Å; V29-I32 PolarHBondContact O-N 2.73Å; V29-I33 HydrophobicContact CG2-CD1 4.03Å; V29-I33 HydrophobicContact CG2-CG1 4.42Å; V29-I33 VanDerWaalsContact O-CG1 3.24Å; V29-I33 WeakPolarHBondContact O-CG1 3.26Å; V29-I33 PolarHBondContact O-N 2.92Å; V29-F52 HydrophobicContact CB-CE2 4.16Å; V29-F52 HydrophobicContact CB-CZ 3.97Å; V29-I306 HydrophobicContact CG1-CG2 3.94Å; V29-L313 HydrophobicContact CG1-CD1 4.31Å; V29-L313 HydrophobicContact CG2-CB 3.92Å
30I98.2Very high95.2Very high61 Ų6121.9 Ų21.931%0.31311%0.109SC..Hα-helixtrans-62.4-45.1175.1-70.2165.4000109.8A26 F27 I32 I33 I34 I306A26-I30 WeakPolarHBondContact O-CB 3.18Å; A26-I30 WeakPolarHBondContact O-CD1 3.21Å; A26-I30 WeakPolarHBondContact O-CG1 3.43Å; A26-I30 PolarHBondContact O-N 2.9Å; F27-I30 PolarHBondContact O-N 2.81Å; I30-I32 PolarHBondContact O-N 3.39Å; I30-I33 PolarHBondContact O-N 3.48Å; I30-I34 HydrophobicContact CG2-CD1 3.69Å; I30-I34 HydrophobicContact CG2-CG1 4.33Å; I30-I34 WeakPolarHBondContact O-CG1 3.41Å; I30-I34 PolarHBondContact O-N 2.82Å; I30-I306 HydrophobicContact CD1-CD1 4.04Å; I30-I306 HydrophobicContact CD1-CG2 4.39Å; I30-I306 HydrophobicContact CG1-CG2 4.4Å
31G97.7Very high95Very high1 Ų127.7 Ų27.71%0.0113%0.131CC..Hα-helixtrans-57.9-46.717700000112.5F27 A28 V29 I33 I34 Y35 G45F27-G31 PolarHBondContact O-N 3.38Å; A28-G31 PolarHBondContact O-N 3.14Å; V29-G31 VanDerWaalsContact C-N 3.34Å; G31-I33 PolarHBondContact O-N 2.92Å; G31-I34 PolarHBondContact O-N 2.89Å; G31-Y35 WeakPolarHBondContact O-CB 3.38Å; G31-Y35 PolarHBondContact O-N 3.48Å; G31-G45 CarbonylContact C-O 3.58Å; G31-G45 WeakPolarHBondContact O-CA 3.34Å
32I97.5Very high94.8Very high0 Ų028.3 Ų28.30%013%0.134CC..Hα-helixtrans-61.1-43.6176.7-66.4165.9000111.5A28 V29 I30 Y35 H36 G45 V49 F52 Y314A28-I32 VanDerWaalsContact O-CG1 3.28Å; A28-I32 WeakPolarHBondContact O-CG1 3.32Å; A28-I32 PolarHBondContact O-N 2.85Å; A28-I32 VanDerWaalsContact O-N 3.09Å; V29-I32 PolarHBondContact O-N 2.73Å; I30-I32 PolarHBondContact O-N 3.39Å; I32-Y35 PolarHBondContact O-N 3.47Å; I32-H36 WeakPolarHBondContact CG2-ND1 3.43Å; I32-H36 PolarHBondContact O-N 3.29Å; I32-H36 VanDerWaalsContact O-N 3.12Å; I32-H36 PolarHBondContact O-ND1 3.11Å; I32-G45 PolarHBondContact N-O 3.04Å; I32-V49 HydrophobicContact CD1-CG2 3.74Å; I32-V49 HydrophobicContact CG1-CG2 4.16Å; I32-F52 HydrophobicContact CD1-CD2 3.88Å; I32-F52 HydrophobicContact CD1-CE2 3.79Å; I32-Y314 HydrophobicContact CD1-CD2 4.15Å; I32-Y314 HydrophobicContact CD1-CE2 4.04Å; I32-Y314 HydrophobicContact CG2-CD2 4.24Å; I32-Y314 HydrophobicContact CG2-CE2 4.02Å
33I97.9Very high94.7Very high22 Ų2229.2 Ų29.211%0.11314%0.141CC..Hα-helixtrans-64.1-46.8179.8-70.2168.3000110.4V29 I30 G31 Y35 H36 L37 L313 H317V29-I33 HydrophobicContact CG2-CD1 4.03Å; V29-I33 HydrophobicContact CG2-CG1 4.42Å; V29-I33 VanDerWaalsContact O-CG1 3.24Å; V29-I33 WeakPolarHBondContact O-CG1 3.26Å; V29-I33 PolarHBondContact O-N 2.92Å; I30-I33 PolarHBondContact O-N 3.48Å; G31-I33 PolarHBondContact O-N 2.92Å; I33-Y35 VanDerWaalsContact C-N 3.35Å; I33-Y35 PolarHBondContact O-N 3.47Å; I33-H36 PolarHBondContact O-N 2.84Å; I33-L37 HydrophobicContact CG2-CD1 3.78Å; I33-L37 HydrophobicContact CG2-CG 4.18Å; I33-L37 VanDerWaalsContact O-CG 3.3Å; I33-L37 WeakPolarHBondContact O-CG 3.38Å; I33-L37 PolarHBondContact O-N 3.37Å; I33-L313 HydrophobicContact CD1-CB 4.35Å; I33-H317 HydrophobicContact CD1-CB 4.3Å; I33-H317 HydrophobicContact CG1-CB 3.77Å
34I96.7Very high94.6Very high54 Ų5429.2 Ų29.228%0.27714%0.141SC..Hα-helixtrans-61.5-44.7179.7-65.3169.5000110.7I30 G31 H36 L37 N38 W41 L42I30-I34 HydrophobicContact CG2-CD1 3.69Å; I30-I34 HydrophobicContact CG2-CG1 4.33Å; I30-I34 WeakPolarHBondContact O-CG1 3.41Å; I30-I34 PolarHBondContact O-N 2.82Å; G31-I34 PolarHBondContact O-N 2.89Å; I34-H36 VanDerWaalsContact C-N 3.29Å; I34-H36 PolarHBondContact O-N 3.26Å; I34-L37 PolarHBondContact O-N 3.4Å; I34-N38 CarbonylContact O-C 3.35Å; I34-N38 PolarHBondContact O-N 2.94Å; I34-W41 HydrophobicContact CG2-CB 3.86Å; I34-W41 HydrophobicContact CG2-CE3 4.34Å; I34-L42 HydrophobicContact CB-CB 4.2Å; I34-L42 HydrophobicContact CB-CD2 4.14Å; I34-L42 HydrophobicContact CD1-CD2 4.31Å; I34-L42 HydrophobicContact CG2-CB 3.5Å; I34-L42 HydrophobicContact CG2-CD2 4.24Å
35Y93.6Very high94.5Very high5 Ų529.1 Ų29.12%0.0214%0.141CC..Hα-helixtrans-56.7-41.8176.4168.8-96.4000112.3G31 I32 I33 N38 A39 S43 F46 D263G31-Y35 WeakPolarHBondContact O-CB 3.38Å; G31-Y35 PolarHBondContact O-N 3.48Å; I32-Y35 PolarHBondContact O-N 3.47Å; I33-Y35 VanDerWaalsContact C-N 3.35Å; I33-Y35 PolarHBondContact O-N 3.47Å; Y35-N38 CarbonylContact O-C 3.56Å; Y35-A39 HydrophobicContact CD2-CB 3.91Å; Y35-A39 HydrophobicContact CE2-CB 3.82Å; Y35-A39 WeakPolarHBondContact O-CA 3.12Å; Y35-A39 PolarHBondContact O-N 3.5Å; Y35-S43 VanDerWaalsContact CD2-O 3.3Å; Y35-S43 WeakPolarHBondContact CD2-O 3.27Å; Y35-S43 WeakPolarHBondContact CE2-O 3.45Å; Y35-F46 HydrophobicContact CD1-CB 4.09Å; Y35-F46 HydrophobicContact CD2-CB 4.46Å; Y35-F46 HydrophobicContact CD2-CD1 4.14Å; Y35-F46 HydrophobicContact CE1-CB 4.01Å; Y35-F46 HydrophobicContact CE2-CB 4.38Å; Y35-F46 AromaticContact CE2-CD1 3.82Å; Y35-F46 HydrophobicContact CE2-CD1 3.82Å; Y35-F46 HydrophobicContact CG-CB 4.32Å; Y35-D263 PolarHBondContact OH-OD2 3.13Å
36H93.6Very high94.3Very high24 Ų2428.1 Ų28.111%0.11114%0.137CC..Hα-helixtrans-79-27.3179.1-70.2113.3000114.3I32 I33 I34 H317 Y318 I321I32-H36 WeakPolarHBondContact CG2-ND1 3.43Å; I32-H36 PolarHBondContact O-N 3.29Å; I32-H36 VanDerWaalsContact O-N 3.12Å; I32-H36 PolarHBondContact O-ND1 3.11Å; I33-H36 PolarHBondContact O-N 2.84Å; I34-H36 VanDerWaalsContact C-N 3.29Å; I34-H36 PolarHBondContact O-N 3.26Å; H36-H317 AromaticContact CE1-NE2 3.85Å; H36-H317 AromaticContact CG-NE2 3.99Å; H36-H317 AromaticContact ND1-CD2 3.84Å; H36-H317 AromaticContact ND1-NE2 3.26Å; H36-H317 PolarHBondContact ND1-NE2 2.97Å; H36-Y318 HydrophobicContact CB-CD2 4.34Å; H36-Y318 AromaticContact CD2-CD2 3.47Å; H36-Y318 VanDerWaalsContact CD2-CD2 3.47Å; H36-Y318 WeakPolarHBondContact CD2-CD2 3.34Å; H36-Y318 AromaticContact CD2-CE2 3.3Å; H36-Y318 WeakPolarHBondContact CD2-CE2 3.33Å; H36-Y318 AromaticContact CG-CD2 3.78Å; H36-Y318 AromaticContact NE2-CD2 3.73Å; H36-Y318 AromaticContact NE2-CE2 3.58Å; H36-I321 HydrophobicContact CB-CD1 3.88Å; H36-I321 WeakPolarHBondContact O-CG2 3.43Å
37L93.4Very high94.2Very high12 Ų1228.1 Ų28.16%0.06314%0.137CC..Hα-helixtrans-66.1-50.2170.7-72.2168.2000109.8I33 I34 W41 I321 Y338 E341 I342I33-L37 HydrophobicContact CG2-CD1 3.78Å; I33-L37 HydrophobicContact CG2-CG 4.18Å; I33-L37 VanDerWaalsContact O-CG 3.3Å; I33-L37 WeakPolarHBondContact O-CG 3.38Å; I33-L37 PolarHBondContact O-N 3.37Å; I34-L37 PolarHBondContact O-N 3.4Å; L37-W41 HydrophobicContact CB-CZ3 4.42Å; L37-I321 HydrophobicContact CD2-CD1 3.82Å; L37-I321 HydrophobicContact CD2-CG1 3.89Å; L37-I321 HydrophobicContact CG-CD1 3.98Å; L37-Y338 HydrophobicContact CB-CD1 4.33Å; L37-Y338 HydrophobicContact CD2-CD1 4.26Å; L37-Y338 VanDerWaalsContact O-CE1 3.25Å; L37-Y338 WeakPolarHBondContact O-CE1 3.44Å; L37-E341 HydrophobicContact CD2-CB 3.87Å; L37-E341 WeakPolarHBondContact CD2-OE2 3.09Å; L37-I342 HydrophobicContact CD1-CD1 3.88Å; L37-I342 HydrophobicContact CD1-CG1 3.75Å; L37-I342 HydrophobicContact CD2-CG1 4.47Å
38N89Confident94.2Very high32 Ų3226 Ų2617%0.17113%0.128CC..  trans-159.8110.9174.4-170.4-32.4000110.5I34 Y35 Q40 W41I34-N38 CarbonylContact O-C 3.35Å; I34-N38 PolarHBondContact O-N 2.94Å; Y35-N38 CarbonylContact O-C 3.56Å; N38-Q40 PolarHBondContact O-N 2.86Å; N38-Q40 VanDerWaalsContact O-N 3.1Å; N38-Q40 VanDerWaalsContact OD1-CB 3.23Å; N38-Q40 WeakPolarHBondContact OD1-CB 3.35Å; N38-Q40 WeakPolarHBondContact OD1-CG 3.49Å; N38-Q40 PolarHBondContact OD1-N 3.37Å; N38-W41 HydrophobicContact CB-CD2 3.78Å; N38-W41 HydrophobicContact CB-CE3 4.03Å; N38-W41 HydrophobicContact CB-CG 4.1Å; N38-W41 HydrophobicContact CB-CZ2 4.37Å; N38-W41 HydrophobicContact CB-CZ3 4.44Å; N38-W41 PolarHBondContact O-N 2.92Å
39A86.5Confident94.1Very high19 Ų1926 Ų2616%0.15713%0.128CC..THydrogen-bonded Turntrans-61.7-20.9-178.900000113.3Y35 W41 L42 S43Y35-A39 HydrophobicContact CD2-CB 3.91Å; Y35-A39 HydrophobicContact CE2-CB 3.82Å; Y35-A39 WeakPolarHBondContact O-CA 3.12Å; Y35-A39 PolarHBondContact O-N 3.5Å; A39-W41 VanDerWaalsContact C-N 3.28Å; A39-W41 PolarHBondContact O-N 3.03Å; A39-L42 CarbonylContact O-C 3.58Å; A39-S43 WeakPolarHBondContact O-CA 3.45Å; A39-S43 WeakPolarHBondContact O-CB 3.44Å; A39-S43 PolarHBondContact O-N 3.45Å
40Q83.8Confident94Very high144 Ų14426 Ų2667%0.67313%0.128SC*.THydrogen-bonded Turntrans-70.7-22.4176.1-58.4-178.9-11.600113N38N38-Q40 PolarHBondContact O-N 2.86Å; N38-Q40 VanDerWaalsContact O-N 3.1Å; N38-Q40 VanDerWaalsContact OD1-CB 3.23Å; N38-Q40 WeakPolarHBondContact OD1-CB 3.35Å; N38-Q40 WeakPolarHBondContact OD1-CG 3.49Å; N38-Q40 PolarHBondContact OD1-N 3.37Å
41W90.4Very high94Very high124 Ų12423.2 Ų23.247%0.4711%0.114SC..THydrogen-bonded Turntrans-79.7-32.7179-64-10.9000112.5I34 L37 N38 A39 Y338I34-W41 HydrophobicContact CG2-CB 3.86Å; I34-W41 HydrophobicContact CG2-CE3 4.34Å; L37-W41 HydrophobicContact CB-CZ3 4.42Å; N38-W41 HydrophobicContact CB-CD2 3.78Å; N38-W41 HydrophobicContact CB-CE3 4.03Å; N38-W41 HydrophobicContact CB-CG 4.1Å; N38-W41 HydrophobicContact CB-CZ2 4.37Å; N38-W41 HydrophobicContact CB-CZ3 4.44Å; N38-W41 PolarHBondContact O-N 2.92Å; A39-W41 VanDerWaalsContact C-N 3.28Å; A39-W41 PolarHBondContact O-N 3.03Å; W41-Y338 HydrophobicContact CH2-CD1 4.35Å; W41-Y338 AromaticContact CH2-CD2 3.64Å; W41-Y338 HydrophobicContact CH2-CD2 3.64Å; W41-Y338 AromaticContact CH2-CE2 3.98Å; W41-Y338 HydrophobicContact CH2-CE2 3.98Å; W41-Y338 AromaticContact CH2-CG 3.85Å; W41-Y338 HydrophobicContact CH2-CG 3.85Å; W41-Y338 HydrophobicContact CZ2-CD2 4.17Å; W41-Y338 HydrophobicContact CZ2-CE2 4.1Å; W41-Y338 HydrophobicContact CZ3-CG 4.47Å
42L93.1Very high94Very high13 Ų1324.4 Ų24.47%0.06812%0.119CC..  trans-155.473.1-176.8-160.473.7000110.2I34 A39 G44 G45 F258 F259I34-L42 HydrophobicContact CB-CB 4.2Å; I34-L42 HydrophobicContact CB-CD2 4.14Å; I34-L42 HydrophobicContact CD1-CD2 4.31Å; I34-L42 HydrophobicContact CG2-CB 3.5Å; I34-L42 HydrophobicContact CG2-CD2 4.24Å; A39-L42 CarbonylContact O-C 3.58Å; L42-G44 PolarHBondContact O-N 3.28Å; L42-G44 VanDerWaalsContact O-N 3.14Å; L42-G45 PolarHBondContact O-N 3.36Å; L42-F258 CarbonylContact C-O 3.46Å; L42-F258 HydrophobicContact CD1-CB 3.77Å; L42-F258 WeakPolarHBondContact CD1-O 3.46Å; L42-F258 HydrophobicContact CD2-CB 4.22Å; L42-F258 HydrophobicContact CD2-CD2 4.06Å; L42-F258 HydrophobicContact CG-CB 3.94Å; L42-F258 WeakPolarHBondContact CG-O 3.45Å; L42-F259 HydrophobicContact CD1-CD1 3.62Å; L42-F259 HydrophobicContact CD1-CD2 4.07Å; L42-F259 HydrophobicContact CD1-CE1 3.51Å; L42-F259 HydrophobicContact CD1-CE2 3.96Å; L42-F259 HydrophobicContact CD1-CG 3.9Å; L42-F259 HydrophobicContact CD1-CZ 3.68Å
43S92.3Very high94Very high33 Ų3324.5 Ų24.523%0.23112%0.119CC..THydrogen-bonded Turntrans-57.6-32.1-171.662.90000113.2Y35 A39 F46 F258 V261Y35-S43 VanDerWaalsContact CD2-O 3.3Å; Y35-S43 WeakPolarHBondContact CD2-O 3.27Å; Y35-S43 WeakPolarHBondContact CE2-O 3.45Å; A39-S43 WeakPolarHBondContact O-CA 3.45Å; A39-S43 WeakPolarHBondContact O-CB 3.44Å; A39-S43 PolarHBondContact O-N 3.45Å; S43-F46 WeakPolarHBondContact O-CD1 3.34Å; S43-F46 WeakPolarHBondContact O-CE1 3.42Å; S43-F258 PolarHBondContact N-O 2.84Å; S43-V261 CarbonylContact C-O 3.45Å; S43-V261 WeakPolarHBondContact CB-O 3.49Å; S43-V261 PolarHBondContact OG-O 3.43Å
44G94.4Very high94Very high0 Ų023.4 Ų23.40%011%0.114CC..THydrogen-bonded Turntrans-91.47.1178.700000113.7L42 F46 L47 F258 V261L42-G44 PolarHBondContact O-N 3.28Å; L42-G44 VanDerWaalsContact O-N 3.14Å; G44-F46 PolarHBondContact O-N 3.37Å; G44-F46 VanDerWaalsContact O-N 3.16Å; G44-L47 WeakPolarHBondContact O-CB 3.4Å; G44-L47 VanDerWaalsContact O-CG 3.27Å; G44-L47 WeakPolarHBondContact O-CG 3.42Å; G44-L47 PolarHBondContact O-N 2.98Å; G44-F258 WeakPolarHBondContact CA-O 3.5Å; G44-F258 PolarHBondContact N-O 2.95Å; G44-F258 WeakPolarHBondContact O-CD1 3.48Å; G44-V261 WeakPolarHBondContact CA-O 3.44Å; G44-V261 PolarHBondContact N-O 3.24Å
45G95.6Very high94.1Very high0 Ų020.9 Ų20.90%010%0.1CC..G310 helixtrans-61.3-22.3-179.100000113.8G31 I32 L42 L47 G48G31-G45 CarbonylContact C-O 3.58Å; G31-G45 WeakPolarHBondContact O-CA 3.34Å; I32-G45 PolarHBondContact N-O 3.04Å; L42-G45 PolarHBondContact O-N 3.36Å; G45-L47 PolarHBondContact O-N 2.83Å; G45-G48 PolarHBondContact O-N 3.4Å; G45-G48 VanDerWaalsContact O-N 3.1Å
46F93.9Very high94.2Very high0 Ų021 Ų210%010%0.103CC..G310 helixtrans-61.1-24.617269.3-92.7000113.4Y35 S43 G44 G48 V49 Y206 V261 D263 I268 F273Y35-F46 HydrophobicContact CD1-CB 4.09Å; Y35-F46 HydrophobicContact CD2-CB 4.46Å; Y35-F46 HydrophobicContact CD2-CD1 4.14Å; Y35-F46 HydrophobicContact CE1-CB 4.01Å; Y35-F46 HydrophobicContact CE2-CB 4.38Å; Y35-F46 AromaticContact CE2-CD1 3.82Å; Y35-F46 HydrophobicContact CE2-CD1 3.82Å; Y35-F46 HydrophobicContact CG-CB 4.32Å; S43-F46 WeakPolarHBondContact O-CD1 3.34Å; S43-F46 WeakPolarHBondContact O-CE1 3.42Å; G44-F46 PolarHBondContact O-N 3.37Å; G44-F46 VanDerWaalsContact O-N 3.16Å; F46-G48 PolarHBondContact O-N 3.39Å; F46-G48 VanDerWaalsContact O-N 3.09Å; F46-V49 WeakPolarHBondContact O-CB 3.39Å; F46-V49 WeakPolarHBondContact O-CG2 3.32Å; F46-V49 PolarHBondContact O-N 2.92Å; F46-Y206 HydrophobicContact CD2-CE2 4.27Å; F46-V261 HydrophobicContact CZ-CG1 4.21Å; F46-D263 HydrophobicContact CD1-CB 4.06Å; F46-D263 HydrophobicContact CE1-CB 3.72Å; F46-D263 HydrophobicContact CZ-CB 4.1Å; F46-I268 HydrophobicContact CE2-CD1 4.16Å; F46-I268 HydrophobicContact CZ-CD1 3.95Å; F46-F273 HydrophobicContact CD2-CE1 4.35Å; F46-F273 AromaticContact CE2-CE1 3.81Å; F46-F273 HydrophobicContact CE2-CE1 3.81Å; F46-F273 AromaticContact CE2-CZ 3.9Å; F46-F273 HydrophobicContact CE2-CZ 3.9Å
47L96.5Very high94.4Very high0 Ų019.9 Ų19.90%010%0.097CC..G310 helixtrans-63.5-12.2174.9-62.4171.5000112.7G44 G45 V49 D50 T51 L257 F258 V261 F273 I276G44-L47 WeakPolarHBondContact O-CB 3.4Å; G44-L47 VanDerWaalsContact O-CG 3.27Å; G44-L47 WeakPolarHBondContact O-CG 3.42Å; G44-L47 PolarHBondContact O-N 2.98Å; G45-L47 PolarHBondContact O-N 2.83Å; L47-V49 PolarHBondContact O-N 2.78Å; L47-D50 WeakPolarHBondContact O-CB 3.33Å; L47-D50 PolarHBondContact O-N 2.84Å; L47-T51 PolarHBondContact O-N 2.73Å; L47-T51 PolarHBondContact O-OG1 3.04Å; L47-L257 HydrophobicContact CD1-CB 4.03Å; L47-F258 HydrophobicContact CB-CD1 4.03Å; L47-F258 HydrophobicContact CB-CE1 3.65Å; L47-F258 HydrophobicContact CD1-CD1 4.32Å; L47-V261 HydrophobicContact CD1-CB 4.25Å; L47-V261 HydrophobicContact CD1-CG1 4.41Å; L47-V261 HydrophobicContact CD1-CG2 4.46Å; L47-F273 HydrophobicContact CD2-CD1 4.03Å; L47-F273 HydrophobicContact CD2-CE1 3.76Å; L47-I276 HydrophobicContact CD1-CD1 3.97Å; L47-I276 HydrophobicContact CD2-CD1 3.82Å
48G97.2Very high94.7Very high0 Ų019.3 Ų19.30%09%0.094CC..Hα-helixtrans-57.3-31.3167.900000112.6G45 F46 T51 F52G45-G48 PolarHBondContact O-N 3.4Å; G45-G48 VanDerWaalsContact O-N 3.1Å; F46-G48 PolarHBondContact O-N 3.39Å; F46-G48 VanDerWaalsContact O-N 3.09Å; G48-T51 WeakPolarHBondContact O-CB 3.29Å; G48-T51 PolarHBondContact O-N 3.26Å; G48-F52 WeakPolarHBondContact O-CD2 3.27Å; G48-F52 PolarHBondContact O-N 3.44Å
49V96.8Very high95Very high3 Ų319.3 Ų19.32%0.0189%0.094CC..Hα-helixtrans-64.6-43.5177.4179.30000110.8I32 F46 L47 T51 F52 F53 W149I32-V49 HydrophobicContact CD1-CG2 3.74Å; I32-V49 HydrophobicContact CG1-CG2 4.16Å; F46-V49 WeakPolarHBondContact O-CB 3.39Å; F46-V49 WeakPolarHBondContact O-CG2 3.32Å; F46-V49 PolarHBondContact O-N 2.92Å; L47-V49 PolarHBondContact O-N 2.78Å; V49-T51 VanDerWaalsContact C-N 3.27Å; V49-T51 PolarHBondContact O-N 3.44Å; V49-F52 WeakPolarHBondContact O-CA 3.36Å; V49-F52 WeakPolarHBondContact O-CB 3.36Å; V49-F52 PolarHBondContact O-N 3.3Å; V49-F52 VanDerWaalsContact O-N 3.09Å; V49-F53 HydrophobicContact CG1-CD2 4.38Å; V49-F53 HydrophobicContact CG1-CE1 4.15Å; V49-F53 HydrophobicContact CG1-CE2 3.95Å; V49-F53 HydrophobicContact CG1-CZ 3.83Å; V49-F53 PolarHBondContact O-N 3.32Å; V49-W149 HydrophobicContact CG1-CH2 4.19Å; V49-W149 HydrophobicContact CG1-CZ2 4.14Å
50D96.3Very high95.4Very high0 Ų018.5 Ų18.50%09%0.087CC..Hα-helixtrans-58-42.5173.7-63-100.8000111.4L47 F52 F53 V54 R212 F273L47-D50 WeakPolarHBondContact O-CB 3.33Å; L47-D50 PolarHBondContact O-N 2.84Å; D50-F52 VanDerWaalsContact C-N 3.3Å; D50-F52 PolarHBondContact O-N 3.34Å; D50-F53 PolarHBondContact O-N 2.79Å; D50-V54 WeakPolarHBondContact O-CG2 3.22Å; D50-V54 PolarHBondContact O-N 3.06Å; D50-R212 IonicContact OD1-CZ 2.79Å; D50-R212 IonicContact OD1-NH1 3.53Å; D50-R212 PolarHBondContact OD1-NH1 2.67Å; D50-R212 IonicContact OD1-NH2 3.63Å; D50-R212 PolarHBondContact OD1-NH2 2.95Å; D50-R212 IonicContact OD2-CZ 3.59Å; D50-R212 IonicContact OD2-NH2 3.81Å; D50-R212 PolarHBondContact OD2-NH2 3.19Å; D50-F273 WeakPolarHBondContact OD1-CD1 3.28Å
51T97.3Very high96.1Very high1 Ų111.7 Ų11.71%0.0066%0.055CC..Hα-helixtrans-60.4-41.6176-57.20000111.1L24 A28 L47 G48 V49 I55 T280L24-T51 HydrophobicContact CD1-CG2 4.11Å; L24-T51 HydrophobicContact CD2-CG2 4.05Å; L24-T51 HydrophobicContact CG-CG2 3.8Å; A28-T51 HydrophobicContact CB-CG2 4.06Å; L47-T51 PolarHBondContact O-N 2.73Å; L47-T51 PolarHBondContact O-OG1 3.04Å; G48-T51 WeakPolarHBondContact O-CB 3.29Å; G48-T51 PolarHBondContact O-N 3.26Å; V49-T51 VanDerWaalsContact C-N 3.27Å; V49-T51 PolarHBondContact O-N 3.44Å; T51-I55 HydrophobicContact CG2-CD1 3.9Å; T51-I55 WeakPolarHBondContact O-CB 3.47Å; T51-I55 WeakPolarHBondContact O-CD1 3.3Å; T51-I55 WeakPolarHBondContact O-CG1 2.85Å; T51-I55 PolarHBondContact O-N 3.21Å; T51-T280 HydrophobicContact CG2-CG2 4.07Å
52F97.8Very high96.3Very high26 Ų266 Ų611%0.1143%0.034CC..Hα-helixtrans-61.3-47.3173.2-81.9-70.9000112.2R25 A28 V29 I32 G48 V49 D50 V54 I55 S56R25-F52 HydrophobicContact CB-CE1 3.82Å; R25-F52 HydrophobicContact CB-CZ 4.16Å; R25-F52 HydrophobicContact CG-CD1 4.15Å; R25-F52 HydrophobicContact CG-CE1 3.58Å; R25-F52 HydrophobicContact CG-CZ 4.38Å; R25-F52 WeakPolarHBondContact O-CZ 3.44Å; A28-F52 HydrophobicContact CB-CD2 3.91Å; A28-F52 HydrophobicContact CB-CE2 3.51Å; A28-F52 HydrophobicContact CB-CZ 4Å; V29-F52 HydrophobicContact CB-CE2 4.16Å; V29-F52 HydrophobicContact CB-CZ 3.97Å; I32-F52 HydrophobicContact CD1-CD2 3.88Å; I32-F52 HydrophobicContact CD1-CE2 3.79Å; G48-F52 WeakPolarHBondContact O-CD2 3.27Å; G48-F52 PolarHBondContact O-N 3.44Å; V49-F52 WeakPolarHBondContact O-CA 3.36Å; V49-F52 WeakPolarHBondContact O-CB 3.36Å; V49-F52 PolarHBondContact O-N 3.3Å; V49-F52 VanDerWaalsContact O-N 3.09Å; D50-F52 VanDerWaalsContact C-N 3.3Å; D50-F52 PolarHBondContact O-N 3.34Å; F52-V54 PolarHBondContact O-N 2.94Å; F52-I55 PolarHBondContact O-N 2.87Å; F52-S56 WeakPolarHBondContact O-CB 3.49Å; F52-S56 PolarHBondContact O-N 3.31Å; F52-S56 PolarHBondContact O-OG 3.17Å; F52-S56 VanDerWaalsContact O-OG 3.1Å
53F98.1Very high96.4Very high2 Ų28.6 Ų8.61%0.0095%0.048CC..Hα-helixtrans-57.9-46.9178.4-73.6-11.9000112.5V49 D50 I55 S56 G57 W149 I153 E154 R212 T215 L216V49-F53 HydrophobicContact CG1-CD2 4.38Å; V49-F53 HydrophobicContact CG1-CE1 4.15Å; V49-F53 HydrophobicContact CG1-CE2 3.95Å; V49-F53 HydrophobicContact CG1-CZ 3.83Å; V49-F53 PolarHBondContact O-N 3.32Å; D50-F53 PolarHBondContact O-N 2.79Å; F53-I55 PolarHBondContact O-N 3.04Å; F53-S56 PolarHBondContact O-N 3.27Å; F53-G57 PolarHBondContact O-N 3.46Å; F53-W149 HydrophobicContact CE2-CH2 4.39Å; F53-W149 HydrophobicContact CE2-CZ3 4.47Å; F53-W149 HydrophobicContact CZ-CH2 4.35Å; F53-W149 HydrophobicContact CZ-CZ3 4.27Å; F53-I153 HydrophobicContact CE1-CG2 4.49Å; F53-I153 HydrophobicContact CZ-CB 4.16Å; F53-I153 HydrophobicContact CZ-CD1 4.2Å; F53-I153 HydrophobicContact CZ-CG2 4.16Å; F53-E154 HydrophobicContact CD1-CG 3.8Å; F53-E154 HydrophobicContact CE1-CG 3.65Å; F53-R212 HydrophobicContact CE2-CB 4.29Å; F53-T215 WeakPolarHBondContact CB-OG1 3.5Å; F53-T215 VanDerWaalsContact CD2-OG1 3.32Å; F53-T215 WeakPolarHBondContact CD2-OG1 3.48Å; F53-L216 HydrophobicContact CB-CD2 4.27Å; F53-L216 HydrophobicContact CB-CG 4.03Å; F53-L216 HydrophobicContact CG-CG 4.32Å; F53-L216 WeakPolarHBondContact O-CD2 3.42Å
54V98.4Very high96.5Very high0 Ų07 Ų70%04%0.037CC..Hα-helixtrans-63.9-43.2177.7-174.80000110.9D50 F52 S56 G57 Y58 T215 G219 T280 L281 I284D50-V54 WeakPolarHBondContact O-CG2 3.22Å; D50-V54 PolarHBondContact O-N 3.06Å; F52-V54 PolarHBondContact O-N 2.94Å; V54-S56 VanDerWaalsContact C-N 3.32Å; V54-S56 PolarHBondContact O-N 3.03Å; V54-G57 PolarHBondContact O-N 3.24Å; V54-Y58 WeakPolarHBondContact O-CB 3.42Å; V54-Y58 PolarHBondContact O-N 2.89Å; V54-T215 WeakPolarHBondContact CG2-O 3.45Å; V54-G219 WeakPolarHBondContact O-CA 3.12Å; V54-T280 HydrophobicContact CB-CG2 4.22Å; V54-T280 HydrophobicContact CG1-CG2 4.33Å; V54-T280 HydrophobicContact CG2-CG2 4.49Å; V54-L281 HydrophobicContact CG1-CD2 3.43Å; V54-L281 VanDerWaalsContact CG1-CD2 3.43Å; V54-I284 HydrophobicContact CB-CD1 4.04Å; V54-I284 HydrophobicContact CG1-CD1 3.44Å; V54-I284 VanDerWaalsContact CG1-CD1 3.44Å
55I97.7Very high96.6Very high0 Ų07.1 Ų7.10%04%0.037CC..Hα-helixtrans-60.6-42.2175.7-70.4169.3000111.2L24 R25 T51 F52 F53 Y58 L59 I284L24-I55 HydrophobicContact CB-CD1 4.22Å; L24-I55 HydrophobicContact CD2-CD1 3.83Å; L24-I55 HydrophobicContact CD2-CG1 4.18Å; L24-I55 HydrophobicContact CG-CD1 3.9Å; R25-I55 HydrophobicContact CG-CD1 3.91Å; T51-I55 HydrophobicContact CG2-CD1 3.9Å; T51-I55 WeakPolarHBondContact O-CB 3.47Å; T51-I55 WeakPolarHBondContact O-CD1 3.3Å; T51-I55 WeakPolarHBondContact O-CG1 2.85Å; T51-I55 PolarHBondContact O-N 3.21Å; F52-I55 PolarHBondContact O-N 2.87Å; F53-I55 PolarHBondContact O-N 3.04Å; I55-Y58 PolarHBondContact O-N 3.22Å; I55-L59 VanDerWaalsContact O-CB 3.3Å; I55-L59 WeakPolarHBondContact O-CB 3.48Å; I55-L59 PolarHBondContact O-N 3.3Å; I55-I284 HydrophobicContact CG1-CD1 3.82Å; I55-I284 HydrophobicContact CG1-CG1 4.16Å
56S97.1Very high96.5Very high9 Ų97.3 Ų7.36%0.0634%0.038CC..Hα-helixtrans-66.3-46.4-178.7-72.90000111.4F52 F53 V54 Y58 L59 I60 E154 Y158F52-S56 WeakPolarHBondContact O-CB 3.49Å; F52-S56 PolarHBondContact O-N 3.31Å; F52-S56 PolarHBondContact O-OG 3.17Å; F52-S56 VanDerWaalsContact O-OG 3.1Å; F53-S56 PolarHBondContact O-N 3.27Å; V54-S56 VanDerWaalsContact C-N 3.32Å; V54-S56 PolarHBondContact O-N 3.03Å; S56-Y58 VanDerWaalsContact C-N 3.33Å; S56-Y58 PolarHBondContact O-N 2.88Å; S56-L59 PolarHBondContact O-N 3.43Å; S56-I60 WeakPolarHBondContact O-CB 3.23Å; S56-I60 WeakPolarHBondContact O-CG1 3.39Å; S56-I60 PolarHBondContact O-N 3.48Å; S56-E154 WeakPolarHBondContact CB-OE1 3.49Å; S56-E154 PolarHBondContact OG-OE1 2.66Å; S56-Y158 WeakPolarHBondContact CB-OH 3.47Å; S56-Y158 PolarHBondContact OG-OH 3.48Å; S56-Y158 VanDerWaalsContact OG-OH 3.04Å
57G97.9Very high96.5Very high0 Ų08.4 Ų8.40%04%0.044CC..Hα-helixtrans-56.9-45.9172.600000112.2F53 V54 T61 L216F53-G57 PolarHBondContact O-N 3.46Å; V54-G57 PolarHBondContact O-N 3.24Å; G57-T61 WeakPolarHBondContact O-CB 3.1Å; G57-T61 PolarHBondContact O-N 3.07Å; G57-T61 PolarHBondContact O-OG1 3.34Å; G57-L216 WeakPolarHBondContact CA-O 3.45Å
58Y97.9Very high96.4Very high0 Ų09.7 Ų9.70%05%0.049CC..Hα-helixtrans-64.4-48.9178.1176.5-96.3000112.9L18 L21 V54 I55 S56 S62 G219 L222 A223 W226 P228 I284 V288L18-Y58 HydrophobicContact CD1-CE1 4.2Å; L21-Y58 HydrophobicContact CD1-CD1 4.11Å; L21-Y58 HydrophobicContact CD1-CE1 4.18Å; V54-Y58 WeakPolarHBondContact O-CB 3.42Å; V54-Y58 PolarHBondContact O-N 2.89Å; I55-Y58 PolarHBondContact O-N 3.22Å; S56-Y58 VanDerWaalsContact C-N 3.33Å; S56-Y58 PolarHBondContact O-N 2.88Å; Y58-S62 WeakPolarHBondContact O-CB 3.31Å; Y58-S62 PolarHBondContact O-N 3.07Å; Y58-S62 PolarHBondContact O-OG 3.34Å; Y58-G219 WeakPolarHBondContact CA-O 3.3Å; Y58-L222 HydrophobicContact CD2-CB 4.06Å; Y58-L222 HydrophobicContact CD2-CD2 3.87Å; Y58-L222 HydrophobicContact CD2-CG 3.81Å; Y58-L222 HydrophobicContact CE2-CD2 4.17Å; Y58-L222 HydrophobicContact CE2-CG 3.95Å; Y58-A223 HydrophobicContact CD2-CB 3.91Å; Y58-A223 HydrophobicContact CE2-CB 4.29Å; Y58-A223 WeakPolarHBondContact O-CB 3.27Å; Y58-W226 PolarHBondContact OH-O 2.93Å; Y58-P228 HydrophobicContact CE1-CG 4.39Å; Y58-P228 WeakPolarHBondContact OH-CB 3.46Å; Y58-P228 VanDerWaalsContact OH-CD 3.24Å; Y58-P228 WeakPolarHBondContact OH-CD 3.26Å; Y58-I284 HydrophobicContact CD1-CG2 3.86Å; Y58-I284 HydrophobicContact CD2-CG2 4.09Å; Y58-I284 HydrophobicContact CE1-CG2 4.1Å; Y58-I284 HydrophobicContact CE2-CG2 4.31Å; Y58-I284 HydrophobicContact CG-CG2 3.85Å; Y58-V288 HydrophobicContact CE1-CG1 3.77Å; Y58-V288 WeakPolarHBondContact OH-CG2 3.35Å
59L95.7Very high96.1Very high31 Ų3112.6 Ų12.616%0.1626%0.06CC..Hα-helixtrans-68.6-47.7-174.3-179.266.3000111.8L18 I55 S56 S62 L63L18-L59 HydrophobicContact CD1-CD1 4.48Å; I55-L59 VanDerWaalsContact O-CB 3.3Å; I55-L59 WeakPolarHBondContact O-CB 3.48Å; I55-L59 PolarHBondContact O-N 3.3Å; S56-L59 PolarHBondContact O-N 3.43Å; L59-S62 PolarHBondContact O-N 2.94Å; L59-L63 HydrophobicContact CD1-CD1 4.35Å; L59-L63 HydrophobicContact CD1-CG 4.45Å; L59-L63 HydrophobicContact CG-CD1 4.15Å; L59-L63 VanDerWaalsContact O-CG 3.27Å; L59-L63 WeakPolarHBondContact O-CG 3.46Å; L59-L63 PolarHBondContact O-N 2.55Å
60I95.6Very high95.7Very high3 Ų315.1 Ų15.12%0.0157%0.069CC..Hα-helixtrans-64.2-46.5-178.9-65.6-55.5000110.5S56 S62 L63 L64 F79 F157 Y158 F161S56-I60 WeakPolarHBondContact O-CB 3.23Å; S56-I60 WeakPolarHBondContact O-CG1 3.39Å; S56-I60 PolarHBondContact O-N 3.48Å; I60-S62 VanDerWaalsContact C-N 3.35Å; I60-S62 PolarHBondContact O-N 3.39Å; I60-L63 PolarHBondContact O-N 3.2Å; I60-L64 HydrophobicContact CG2-CD1 3.68Å; I60-L64 HydrophobicContact CG2-CG 4.35Å; I60-L64 VanDerWaalsContact O-CG 3.3Å; I60-L64 WeakPolarHBondContact O-CG 3.46Å; I60-L64 PolarHBondContact O-N 3.23Å; I60-F79 HydrophobicContact CD1-CE2 4.15Å; I60-F79 HydrophobicContact CD1-CZ 4.2Å; I60-F79 HydrophobicContact CG2-CE2 3.99Å; I60-F79 HydrophobicContact CG2-CZ 3.85Å; I60-F157 HydrophobicContact CB-CE1 4.42Å; I60-F157 HydrophobicContact CG2-CE1 4.4Å; I60-Y158 HydrophobicContact CD1-CD1 4.22Å; I60-Y158 HydrophobicContact CD1-CE1 4.09Å; I60-Y158 HydrophobicContact CG1-CD1 3.72Å; I60-Y158 HydrophobicContact CG1-CE1 3.44Å; I60-Y158 VanDerWaalsContact CG1-CE1 3.44Å; I60-F161 HydrophobicContact CG2-CD1 4.33Å
61T97.4Very high95.5Very high0 Ų017.8 Ų17.80%09%0.086CC..Hα-helixtrans-61.7-43.7178-55.50000111.4G57 L63 L64 I65 F161 C220 A223 F224G57-T61 WeakPolarHBondContact O-CB 3.1Å; G57-T61 PolarHBondContact O-N 3.07Å; G57-T61 PolarHBondContact O-OG1 3.34Å; T61-L63 VanDerWaalsContact C-N 3.32Å; T61-L63 PolarHBondContact O-N 3.4Å; T61-L64 PolarHBondContact O-N 3.07Å; T61-I65 HydrophobicContact CG2-CD1 3.54Å; T61-I65 HydrophobicContact CG2-CG1 4.17Å; T61-I65 WeakPolarHBondContact O-CB 3.45Å; T61-I65 VanDerWaalsContact O-CG1 3.25Å; T61-I65 WeakPolarHBondContact O-CG1 3.43Å; T61-I65 PolarHBondContact O-N 3.45Å; T61-F161 HydrophobicContact CG2-CE1 4.34Å; T61-F161 HydrophobicContact CG2-CZ 4.28Å; T61-F161 WeakPolarHBondContact OG1-CE1 3.29Å; T61-F161 WeakPolarHBondContact OG1-CZ 3.38Å; T61-C220 HydrophobicContact CG2-CB 4.28Å; T61-C220 WeakPolarHBondContact OG1-CB 3.46Å; T61-C220 PolarHBondContact OG1-SG 3.08Å; T61-A223 HydrophobicContact CG2-CB 3.67Å; T61-F224 HydrophobicContact CG2-CD2 4.08Å; T61-F224 HydrophobicContact CG2-CE2 3.81Å
62S95.8Very high95.2Very high4 Ų422.8 Ų22.83%0.02811%0.109CC..Hα-helixtrans-59.7-41.1176.6-65.70000112.6Y58 L59 I60 S66 A223 P228Y58-S62 WeakPolarHBondContact O-CB 3.31Å; Y58-S62 PolarHBondContact O-N 3.07Å; Y58-S62 PolarHBondContact O-OG 3.34Å; L59-S62 PolarHBondContact O-N 2.94Å; I60-S62 VanDerWaalsContact C-N 3.35Å; I60-S62 PolarHBondContact O-N 3.39Å; S62-S66 WeakPolarHBondContact O-CB 3.4Å; S62-S66 PolarHBondContact O-N 3.34Å; S62-A223 WeakPolarHBondContact OG-CB 3.26Å; S62-P228 VanDerWaalsContact OG-CD 3.27Å; S62-P228 WeakPolarHBondContact OG-CD 3.48Å
63L94.1Very high95Very high68 Ų6828.8 Ų28.836%0.35614%0.135SC..Hα-helixtrans-66.6-44.2177.8-71.5170.8000111.7P15 L59 I60 T61 S66 E67P15-L63 HydrophobicContact CB-CD2 3.76Å; L59-L63 HydrophobicContact CD1-CD1 4.35Å; L59-L63 HydrophobicContact CD1-CG 4.45Å; L59-L63 HydrophobicContact CG-CD1 4.15Å; L59-L63 VanDerWaalsContact O-CG 3.27Å; L59-L63 WeakPolarHBondContact O-CG 3.46Å; L59-L63 PolarHBondContact O-N 2.55Å; I60-L63 PolarHBondContact O-N 3.2Å; T61-L63 VanDerWaalsContact C-N 3.32Å; T61-L63 PolarHBondContact O-N 3.4Å; L63-S66 WeakPolarHBondContact O-CB 3.4Å; L63-S66 PolarHBondContact O-N 3.26Å; L63-E67 WeakPolarHBondContact O-CB 3.46Å; L63-E67 PolarHBondContact O-N 3.18Å
64L96Very high94.9Very high1 Ų129.5 Ų29.51%0.00514%0.139CC..Hα-helixtrans-68.4-43-178.8-67.1170.6000112I60 T61 E67 Y68 I74 F79 F161 P162 I165I60-L64 HydrophobicContact CG2-CD1 3.68Å; I60-L64 HydrophobicContact CG2-CG 4.35Å; I60-L64 VanDerWaalsContact O-CG 3.3Å; I60-L64 WeakPolarHBondContact O-CG 3.46Å; I60-L64 PolarHBondContact O-N 3.23Å; T61-L64 PolarHBondContact O-N 3.07Å; L64-E67 PolarHBondContact O-N 3.32Å; L64-Y68 WeakPolarHBondContact O-CB 3.35Å; L64-Y68 PolarHBondContact O-N 2.69Å; L64-I74 HydrophobicContact CB-CD1 4.13Å; L64-I74 HydrophobicContact CD2-CD1 4.46Å; L64-I74 HydrophobicContact CD2-CG2 3.61Å; L64-F79 HydrophobicContact CD1-CE2 4.48Å; L64-F79 HydrophobicContact CD2-CD2 3.68Å; L64-F79 HydrophobicContact CD2-CE2 4Å; L64-F79 HydrophobicContact CD2-CG 4.2Å; L64-F79 HydrophobicContact CG-CD2 4.45Å; L64-F79 HydrophobicContact CG-CE2 4.31Å; L64-F161 HydrophobicContact CD1-CD1 4.17Å; L64-F161 HydrophobicContact CD1-CE1 4.35Å; L64-P162 HydrophobicContact CD1-CB 4.23Å; L64-P162 HydrophobicContact CD1-CG 4.18Å; L64-P162 HydrophobicContact CD2-CB 4.48Å; L64-I165 HydrophobicContact CB-CG2 4.28Å; L64-I165 HydrophobicContact CD1-CG2 3.74Å
65I95.2Very high94.8Very high2 Ų233.5 Ų33.51%0.0116%0.16CC..Hα-helixtrans-64.9-42.9175.9-64.9169.1000110.8T61 E67 Y68 Y69 F224 F229T61-I65 HydrophobicContact CG2-CD1 3.54Å; T61-I65 HydrophobicContact CG2-CG1 4.17Å; T61-I65 WeakPolarHBondContact O-CB 3.45Å; T61-I65 VanDerWaalsContact O-CG1 3.25Å; T61-I65 WeakPolarHBondContact O-CG1 3.43Å; T61-I65 PolarHBondContact O-N 3.45Å; I65-E67 VanDerWaalsContact C-N 3.31Å; I65-E67 PolarHBondContact O-N 3.16Å; I65-Y68 PolarHBondContact O-N 3.14Å; I65-Y69 HydrophobicContact CG2-CD2 3.58Å; I65-Y69 HydrophobicContact CG2-CE1 4.25Å; I65-Y69 HydrophobicContact CG2-CE2 3.22Å; I65-Y69 HydrophobicContact CG2-CG 4.24Å; I65-Y69 WeakPolarHBondContact O-CB 3.3Å; I65-Y69 PolarHBondContact O-N 2.83Å; I65-F224 HydrophobicContact CD1-CD1 3.65Å; I65-F224 HydrophobicContact CD1-CD2 3.71Å; I65-F224 HydrophobicContact CD1-CE1 3.49Å; I65-F224 VanDerWaalsContact CD1-CE1 3.49Å; I65-F224 HydrophobicContact CD1-CE2 3.54Å; I65-F224 HydrophobicContact CD1-CG 3.75Å; I65-F224 HydrophobicContact CD1-CZ 3.42Å; I65-F224 VanDerWaalsContact CD1-CZ 3.42Å; I65-F224 HydrophobicContact CG1-CE1 4.04Å; I65-F224 HydrophobicContact CG1-CE2 4.35Å; I65-F224 HydrophobicContact CG1-CZ 3.88Å; I65-F229 HydrophobicContact CG2-CE1 4.43Å; I65-F229 HydrophobicContact CG2-CZ 3.88Å
66S93.5Very high94.7Very high3 Ų335.4 Ų35.42%0.02117%0.17CC..Hα-helixtrans-55.8-45.6174.9159.10000111.6Y13 S62 L63 R70Y13-S66 WeakPolarHBondContact O-CB 3.13Å; Y13-S66 PolarHBondContact O-OG 2.85Å; S62-S66 WeakPolarHBondContact O-CB 3.4Å; S62-S66 PolarHBondContact O-N 3.34Å; L63-S66 WeakPolarHBondContact O-CB 3.4Å; L63-S66 PolarHBondContact O-N 3.26Å; S66-R70 WeakPolarHBondContact O-CB 3.42Å; S66-R70 PolarHBondContact O-N 2.94Å
67E93.7Very high94.7Very high24 Ų2441.2 Ų41.211%0.11220%0.2CC..Hα-helixtrans-65.8-45.4178-168.6174.9153.500112.1L63 L64 I65 R70 T71 D75 R82L63-E67 WeakPolarHBondContact O-CB 3.46Å; L63-E67 PolarHBondContact O-N 3.18Å; L64-E67 PolarHBondContact O-N 3.32Å; I65-E67 VanDerWaalsContact C-N 3.31Å; I65-E67 PolarHBondContact O-N 3.16Å; E67-R70 PolarHBondContact O-N 3.38Å; E67-T71 PolarHBondContact O-N 3.47Å; E67-T71 PolarHBondContact O-OG1 2.94Å; E67-D75 WeakPolarHBondContact OE1-CB 3.39Å; E67-D75 PolarHBondContact OE1-N 2.92Å; E67-R82 IonicContact OE2-NH2 3.57Å; E67-R82 PolarHBondContact OE2-NH2 3.38Å
68Y94.4Very high94.5Very high27 Ų2743.9 Ų43.911%0.10621%0.212CC..Hα-helixtrans-62.2-47.1178-176.8-104.5000112.1L64 I65 R70 T71 Q72 K73 I74 L169 H170L64-Y68 WeakPolarHBondContact O-CB 3.35Å; L64-Y68 PolarHBondContact O-N 2.69Å; I65-Y68 PolarHBondContact O-N 3.14Å; Y68-R70 VanDerWaalsContact C-N 3.26Å; Y68-R70 PolarHBondContact O-N 3.42Å; Y68-T71 PolarHBondContact O-N 3.31Å; Y68-Q72 WeakPolarHBondContact O-CA 3.41Å; Y68-Q72 PolarHBondContact O-N 2.85Å; Y68-K73 WeakPolarHBondContact CA-O 3.46Å; Y68-I74 HydrophobicContact CD2-CG1 4.38Å; Y68-L169 HydrophobicContact CD1-CB 4.08Å; Y68-L169 HydrophobicContact CD1-CD1 3.96Å; Y68-L169 HydrophobicContact CD1-CD2 4.05Å; Y68-L169 HydrophobicContact CD1-CG 4.26Å; Y68-L169 HydrophobicContact CD2-CB 4.4Å; Y68-L169 HydrophobicContact CD2-CD1 4.36Å; Y68-L169 HydrophobicContact CE1-CB 3.83Å; Y68-L169 HydrophobicContact CE1-CD2 4.23Å; Y68-L169 HydrophobicContact CE1-CG 4.43Å; Y68-L169 HydrophobicContact CE2-CB 4.19Å; Y68-L169 HydrophobicContact CG-CB 4.35Å; Y68-L169 HydrophobicContact CG-CD1 3.83Å; Y68-L169 PolarHBondContact OH-O 2.89Å; Y68-H170 AromaticContact CE2-CE1 3.75Å; Y68-H170 AromaticContact CE2-NE2 3.91Å
69Y91.4Very high94.4Very high60 Ų6044.2 Ų44.224%0.23521%0.214CC..Hα-helixtrans-65.5-30.3178.6-69.6-18.8000112.9L9 Y13 I65 F229L9-Y69 VanDerWaalsContact CD1-O 3.31Å; L9-Y69 WeakPolarHBondContact CD1-O 2.97Å; Y13-Y69 AromaticContact CD1-CD2 3.87Å; Y13-Y69 HydrophobicContact CD1-CD2 3.87Å; Y13-Y69 HydrophobicContact CD1-CG 4.37Å; Y13-Y69 AromaticContact CE1-CD2 3.61Å; Y13-Y69 HydrophobicContact CE1-CD2 3.61Å; Y13-Y69 HydrophobicContact CE1-CE2 4.5Å; Y13-Y69 HydrophobicContact CE1-CG 4.21Å; I65-Y69 HydrophobicContact CG2-CD2 3.58Å; I65-Y69 HydrophobicContact CG2-CE1 4.25Å; I65-Y69 HydrophobicContact CG2-CE2 3.22Å; I65-Y69 HydrophobicContact CG2-CG 4.24Å; I65-Y69 WeakPolarHBondContact O-CB 3.3Å; I65-Y69 PolarHBondContact O-N 2.83Å; Y69-F229 HydrophobicContact CD2-CE2 4.24Å; Y69-F229 HydrophobicContact CD2-CZ 4.19Å; Y69-F229 HydrophobicContact CE2-CZ 4.38Å
70R89.3Confident94.4Very high57 Ų5746 Ų4622%0.21522%0.218CC..Hα-helixtrans-77.5-38.5176.8-176.2174.259.8155.3-1.6113.5F6 E10 S66 E67 Y68F6-R70 HydrophobicContact CE2-CG 4.2Å; E10-R70 IonicContact OE1-NH1 2.76Å; S66-R70 WeakPolarHBondContact O-CB 3.42Å; S66-R70 PolarHBondContact O-N 2.94Å; E67-R70 PolarHBondContact O-N 3.38Å; Y68-R70 VanDerWaalsContact C-N 3.26Å; Y68-R70 PolarHBondContact O-N 3.42Å
71T91Very high94.2Very high55 Ų5550.2 Ų50.234%0.33724%0.237SC..Hα-helixtrans-120.3-5.6-167.169.70000114.6E67 Y68 K73E67-T71 PolarHBondContact O-N 3.47Å; E67-T71 PolarHBondContact O-OG1 2.94Å; Y68-T71 PolarHBondContact O-N 3.31Å; T71-K73 PolarHBondContact O-N 3.24Å; T71-K73 VanDerWaalsContact O-N 3.14Å; T71-K73 PolarHBondContact OG1-N 3.16Å; T71-K73 PolarHBondContact OG1-O 3.41Å
72Q91.6Very high93.9Very high107 Ų10755.4 Ų55.450%0.526%0.256SS..SBendtrans58.313-171.2-57.7-62.4-49.900114.3Y68Y68-Q72 WeakPolarHBondContact O-CA 3.41Å; Y68-Q72 PolarHBondContact O-N 2.85Å
73K93.9Very high93.7Very high152 Ų15256.3 Ų56.366%0.66126%0.259SS*.SBendtrans-143.2164.2177.4-64.4-172.9179.6-177.90109.4Y68 T71Y68-K73 WeakPolarHBondContact CA-O 3.46Å; T71-K73 PolarHBondContact O-N 3.24Å; T71-K73 VanDerWaalsContact O-N 3.14Å; T71-K73 PolarHBondContact OG1-N 3.16Å; T71-K73 PolarHBondContact OG1-O 3.41Å
74I95.5Very high93.6Very high16 Ų1657.3 Ų57.38%0.08226%0.264CS..  trans-119.9120.6170-68.7172.1000106.1L64 Y68 L76 I165 T166 L169L64-I74 HydrophobicContact CB-CD1 4.13Å; L64-I74 HydrophobicContact CD2-CD1 4.46Å; L64-I74 HydrophobicContact CD2-CG2 3.61Å; Y68-I74 HydrophobicContact CD2-CG1 4.38Å; I74-L76 HydrophobicContact CG2-CD2 3.9Å; I74-L76 HydrophobicContact CG2-CG 4.41Å; I74-L76 PolarHBondContact O-N 3.48Å; I74-I165 HydrophobicContact CD1-CG2 4.26Å; I74-T166 WeakPolarHBondContact CD1-OG1 3.32Å; I74-L169 HydrophobicContact CD1-CD1 3.9Å
75D96.1Very high93.3Very high84 Ų8460.6 Ų60.645%0.44928%0.278SS..  trans-77.688.7173-172-20.5000109.3E67 L77 E78 F79E67-D75 WeakPolarHBondContact OE1-CB 3.39Å; E67-D75 PolarHBondContact OE1-N 2.92Å; D75-L77 VanDerWaalsContact C-N 3.3Å; D75-L77 PolarHBondContact O-N 3.27Å; D75-L77 PolarHBondContact OD1-N 3.1Å; D75-E78 HydrophobicContact CB-CB 4.21Å; D75-E78 VanDerWaalsContact CG-CB 3.47Å; D75-E78 PolarHBondContact O-N 3.16Å; D75-E78 PolarHBondContact OD1-N 3.38Å; D75-E78 WeakPolarHBondContact OD2-CB 3.11Å; D75-F79 WeakPolarHBondContact O-CB 3.43Å; D75-F79 PolarHBondContact O-N 3.45Å
76L96.6Very high93Very high41 Ų4164.4 Ų64.422%0.21529%0.292CS..Hα-helixtrans-60.8-39.2-179.3-64171.4000112I74 F79 W80 P162 L163I74-L76 HydrophobicContact CG2-CD2 3.9Å; I74-L76 HydrophobicContact CG2-CG 4.41Å; I74-L76 PolarHBondContact O-N 3.48Å; L76-F79 PolarHBondContact O-N 2.9Å; L76-W80 HydrophobicContact CB-CE3 4.2Å; L76-W80 HydrophobicContact CB-CH2 4.02Å; L76-W80 HydrophobicContact CB-CZ2 4.41Å; L76-W80 HydrophobicContact CB-CZ3 3.9Å; L76-W80 HydrophobicContact CD1-CH2 4.39Å; L76-W80 VanDerWaalsContact O-CD2 3.28Å; L76-W80 VanDerWaalsContact O-CE3 3.28Å; L76-W80 PolarHBondContact O-N 3.43Å; L76-P162 HydrophobicContact CD2-CB 3.53Å; L76-L163 HydrophobicContact CD1-CD2 3.58Å; L76-L163 HydrophobicContact CD2-CD2 4.43Å
77L96.2Very high92.9Very high130 Ų13064.4 Ų64.468%0.68129%0.292SS*.Hα-helixtrans-66.1-47.3-178.4-179.264000110.7D75 F79 W80 K81D75-L77 VanDerWaalsContact C-N 3.3Å; D75-L77 PolarHBondContact O-N 3.27Å; D75-L77 PolarHBondContact OD1-N 3.1Å; L77-F79 VanDerWaalsContact C-N 3.34Å; L77-W80 PolarHBondContact O-N 3.32Å; L77-K81 WeakPolarHBondContact O-CB 3.28Å; L77-K81 PolarHBondContact O-N 3.33Å
78E94.1Very high92.8Very high56 Ų5665.8 Ų65.826%0.26230%0.3SS..Hα-helixtrans-69.2-35176.9-172.861.2-155.300111.1D75 K81 R82D75-E78 HydrophobicContact CB-CB 4.21Å; D75-E78 VanDerWaalsContact CG-CB 3.47Å; D75-E78 PolarHBondContact O-N 3.16Å; D75-E78 PolarHBondContact OD1-N 3.38Å; D75-E78 WeakPolarHBondContact OD2-CB 3.11Å; E78-K81 PolarHBondContact O-N 2.81Å; E78-K81 WeakPolarHBondContact OE2-CD 3.38Å; E78-K81 WeakPolarHBondContact OE2-CE 3.3Å; E78-K81 IonicContact OE2-NZ 2.78Å; E78-K81 PolarHBondContact OE2-NZ 3.02Å; E78-R82 HydrophobicContact CG-CG 4.4Å; E78-R82 WeakPolarHBondContact O-CB 3.38Å; E78-R82 WeakPolarHBondContact O-CG 3.2Å; E78-R82 PolarHBondContact O-N 3.24Å; E78-R82 PolarHBondContact O-NE 3Å
79F94.8Very high92.6Very high7 Ų765.4 Ų65.43%0.03130%0.301CS..Hα-helixtrans-56.2-56.1171.8173.9-90000111.7I60 L64 D75 L76 L77 K81 R82 R83 Y158 P162I60-F79 HydrophobicContact CD1-CE2 4.15Å; I60-F79 HydrophobicContact CD1-CZ 4.2Å; I60-F79 HydrophobicContact CG2-CE2 3.99Å; I60-F79 HydrophobicContact CG2-CZ 3.85Å; L64-F79 HydrophobicContact CD1-CE2 4.48Å; L64-F79 HydrophobicContact CD2-CD2 3.68Å; L64-F79 HydrophobicContact CD2-CE2 4Å; L64-F79 HydrophobicContact CD2-CG 4.2Å; L64-F79 HydrophobicContact CG-CD2 4.45Å; L64-F79 HydrophobicContact CG-CE2 4.31Å; D75-F79 WeakPolarHBondContact O-CB 3.43Å; D75-F79 PolarHBondContact O-N 3.45Å; L76-F79 PolarHBondContact O-N 2.9Å; L77-F79 VanDerWaalsContact C-N 3.34Å; F79-K81 PolarHBondContact O-N 3.41Å; F79-R82 PolarHBondContact O-N 2.95Å; F79-R83 HydrophobicContact CD1-CG 4.34Å; F79-R83 HydrophobicContact CE1-CG 3.79Å; F79-R83 HydrophobicContact CE2-CG 4.31Å; F79-R83 HydrophobicContact CZ-CG 3.79Å; F79-R83 PolarHBondContact O-N 2.82Å; F79-Y158 WeakPolarHBondContact CE1-O 3.3Å; F79-P162 HydrophobicContact CD1-CB 4.24Å; F79-P162 HydrophobicContact CD1-CG 3.66Å; F79-P162 HydrophobicContact CE1-CB 4.31Å; F79-P162 HydrophobicContact CE1-CG 3.27Å; F79-P162 HydrophobicContact CG-CG 4.5Å; F79-P162 HydrophobicContact CZ-CG 3.8Å
80W95.4Very high92.6Very high70 Ų7062.6 Ų62.627%0.26529%0.29SS..Hα-helixtrans-64-42.4-179.3-66.3-45.7000111.2L76 L77 R82 R83 L84 Y158 L159 L163L76-W80 HydrophobicContact CB-CE3 4.2Å; L76-W80 HydrophobicContact CB-CH2 4.02Å; L76-W80 HydrophobicContact CB-CZ2 4.41Å; L76-W80 HydrophobicContact CB-CZ3 3.9Å; L76-W80 HydrophobicContact CD1-CH2 4.39Å; L76-W80 VanDerWaalsContact O-CD2 3.28Å; L76-W80 VanDerWaalsContact O-CE3 3.28Å; L76-W80 PolarHBondContact O-N 3.43Å; L77-W80 PolarHBondContact O-N 3.32Å; W80-R82 VanDerWaalsContact C-N 3.29Å; W80-R82 PolarHBondContact O-N 3.22Å; W80-R83 PolarHBondContact O-N 2.89Å; W80-L84 WeakPolarHBondContact O-CB 3.15Å; W80-L84 VanDerWaalsContact O-CG 3.22Å; W80-L84 WeakPolarHBondContact O-CG 3.47Å; W80-L84 PolarHBondContact O-N 3.35Å; W80-Y158 PolarHBondContact NE1-O 3.38Å; W80-L159 PolarHBondContact NE1-O 2.83Å; W80-L163 HydrophobicContact CH2-CD2 3.88Å; W80-L163 HydrophobicContact CH2-CG 4.34Å; W80-L163 HydrophobicContact CZ2-CD1 4.37Å; W80-L163 HydrophobicContact CZ2-CD2 4Å; W80-L163 HydrophobicContact CZ2-CG 4.01Å
81K93Very high92.9Very high91 Ų9160 Ų6040%0.39628%0.281SS..Hα-helixtrans-57.3-39.6175.5178.7174.4156.5-1470112.8L77 E78 F79 K85L77-K81 WeakPolarHBondContact O-CB 3.28Å; L77-K81 PolarHBondContact O-N 3.33Å; E78-K81 PolarHBondContact O-N 2.81Å; E78-K81 WeakPolarHBondContact OE2-CD 3.38Å; E78-K81 WeakPolarHBondContact OE2-CE 3.3Å; E78-K81 IonicContact OE2-NZ 2.78Å; E78-K81 PolarHBondContact OE2-NZ 3.02Å; F79-K81 PolarHBondContact O-N 3.41Å; K81-K85 HydrophobicContact CG-CD 4.4Å; K81-K85 WeakPolarHBondContact O-CB 3.49Å; K81-K85 VanDerWaalsContact O-CG 3.26Å; K81-K85 WeakPolarHBondContact O-CG 3.43Å; K81-K85 PolarHBondContact O-N 3.08Å; K81-K85 VanDerWaalsContact O-N 3.11Å
82R90.7Very high93Very high108 Ų10860.8 Ų60.841%0.40828%0.282SS..Hα-helixtrans-66.4-40.2174.6-71.6179.9-54.4-125.39111.8E67 E78 F79 W80 R86E67-R82 IonicContact OE2-NH2 3.57Å; E67-R82 PolarHBondContact OE2-NH2 3.38Å; E78-R82 HydrophobicContact CG-CG 4.4Å; E78-R82 WeakPolarHBondContact O-CB 3.38Å; E78-R82 WeakPolarHBondContact O-CG 3.2Å; E78-R82 PolarHBondContact O-N 3.24Å; E78-R82 PolarHBondContact O-NE 3Å; F79-R82 PolarHBondContact O-N 2.95Å; W80-R82 VanDerWaalsContact C-N 3.29Å; W80-R82 PolarHBondContact O-N 3.22Å; R82-R86 WeakPolarHBondContact O-CB 3.2Å; R82-R86 PolarHBondContact O-N 3.32Å
83R92.3Very high93.1Very high23 Ų2356.4 Ų56.49%0.08726%0.261CS..Hα-helixtrans-66.4-51176.3-67.6-55.5-56-177.32.9111.7F79 W80 K85 R86 L87 Y158F79-R83 HydrophobicContact CD1-CG 4.34Å; F79-R83 HydrophobicContact CE1-CG 3.79Å; F79-R83 HydrophobicContact CE2-CG 4.31Å; F79-R83 HydrophobicContact CZ-CG 3.79Å; F79-R83 PolarHBondContact O-N 2.82Å; W80-R83 PolarHBondContact O-N 2.89Å; R83-K85 VanDerWaalsContact C-N 3.34Å; R83-K85 PolarHBondContact O-N 2.92Å; R83-R86 WeakPolarHBondContact O-CA 3.28Å; R83-R86 WeakPolarHBondContact O-CB 3.48Å; R83-R86 PolarHBondContact O-N 3.17Å; R83-L87 HydrophobicContact CB-CD1 4.17Å; R83-L87 WeakPolarHBondContact O-CD1 3.16Å; R83-L87 WeakPolarHBondContact O-CG 3.37Å; R83-L87 PolarHBondContact O-N 3.17Å; R83-Y158 VanDerWaalsContact NH2-CZ 3.29Å
84L91.3Very high93.3Very high90 Ų9049.1 Ų49.147%0.47123%0.23SC..Hα-helixtrans-56.5-46.6179-63.6171.2000111.2W80 R86 L87 I88 P89W80-L84 WeakPolarHBondContact O-CB 3.15Å; W80-L84 VanDerWaalsContact O-CG 3.22Å; W80-L84 WeakPolarHBondContact O-CG 3.47Å; W80-L84 PolarHBondContact O-N 3.35Å; L84-R86 PolarHBondContact O-N 3Å; L84-L87 PolarHBondContact O-N 3.23Å; L84-I88 HydrophobicContact CB-CD1 4.26Å; L84-I88 HydrophobicContact CD2-CD1 3.25Å; L84-I88 HydrophobicContact CD2-CG1 4.1Å; L84-I88 HydrophobicContact CG-CD1 4.3Å; L84-I88 WeakPolarHBondContact O-CB 3.44Å; L84-I88 PolarHBondContact O-N 3.44Å; L84-P89 VanDerWaalsContact O-CD 3.23Å; L84-P89 WeakPolarHBondContact O-CD 3.22Å
85K89.4Confident93.3Very high69 Ų6948.5 Ų48.530%0.323%0.227SC..Hα-helixtrans-63.2-22.3176.5-75.9177.7-178.6-179.40114.4K81 R83 R361K81-K85 HydrophobicContact CG-CD 4.4Å; K81-K85 WeakPolarHBondContact O-CB 3.49Å; K81-K85 VanDerWaalsContact O-CG 3.26Å; K81-K85 WeakPolarHBondContact O-CG 3.43Å; K81-K85 PolarHBondContact O-N 3.08Å; K81-K85 VanDerWaalsContact O-N 3.11Å; R83-K85 VanDerWaalsContact C-N 3.34Å; R83-K85 PolarHBondContact O-N 2.92Å; K85-R361 WeakPolarHBondContact O-CA 3.11Å
86R88.7Confident93.3Very high82 Ų8245.2 Ų45.231%0.30921%0.21SC..Hα-helixtrans-87.4-36.4-179.2179.2178.9178.3178.4-1.5112.1R82 R83 L84R82-R86 WeakPolarHBondContact O-CB 3.2Å; R82-R86 PolarHBondContact O-N 3.32Å; R83-R86 WeakPolarHBondContact O-CA 3.28Å; R83-R86 WeakPolarHBondContact O-CB 3.48Å; R83-R86 PolarHBondContact O-N 3.17Å; L84-R86 PolarHBondContact O-N 3Å
87L91.6Very high93.3Very high4 Ų444.8 Ų44.82%0.02121%0.209CC..Hα-helixtrans-110.1-52.5-161.7-59.7154.4000112.5R83 L84 P89 A90 V91 E155 Y158 Y311R83-L87 HydrophobicContact CB-CD1 4.17Å; R83-L87 WeakPolarHBondContact O-CD1 3.16Å; R83-L87 WeakPolarHBondContact O-CG 3.37Å; R83-L87 PolarHBondContact O-N 3.17Å; L84-L87 PolarHBondContact O-N 3.23Å; L87-P89 VanDerWaalsContact C-CD 3.49Å; L87-A90 PolarHBondContact O-N 3.37Å; L87-V91 PolarHBondContact O-N 3.04Å; L87-E155 WeakPolarHBondContact CD1-OE1 3.26Å; L87-E155 WeakPolarHBondContact CD1-OE2 3.17Å; L87-Y158 HydrophobicContact CD1-CD2 4.35Å; L87-Y158 HydrophobicContact CD1-CE2 4.47Å; L87-Y311 WeakPolarHBondContact CA-OH 3.21Å; L87-Y311 HydrophobicContact CD2-CD2 4.24Å; L87-Y311 HydrophobicContact CD2-CE1 4.06Å; L87-Y311 HydrophobicContact CD2-CE2 3.77Å; L87-Y311 PolarHBondContact O-OH 2.88Å
88I91.2Very high93.3Very high53 Ų5338.7 Ų38.727%0.27218%0.177SC..Hα-helixtrans-54.3-45.1-175.5-69.4-170.6000112.4L84 A90 V91 L92 Y123L84-I88 HydrophobicContact CB-CD1 4.26Å; L84-I88 HydrophobicContact CD2-CD1 3.25Å; L84-I88 HydrophobicContact CD2-CG1 4.1Å; L84-I88 HydrophobicContact CG-CD1 4.3Å; L84-I88 WeakPolarHBondContact O-CB 3.44Å; L84-I88 PolarHBondContact O-N 3.44Å; I88-A90 VanDerWaalsContact C-N 3.32Å; I88-A90 PolarHBondContact O-N 3.03Å; I88-V91 WeakPolarHBondContact O-CG1 3.45Å; I88-V91 PolarHBondContact O-N 2.94Å; I88-L92 HydrophobicContact CG2-CD1 3.41Å; I88-L92 VanDerWaalsContact CG2-CD1 3.41Å; I88-L92 HydrophobicContact CG2-CG 3.8Å; I88-L92 WeakPolarHBondContact O-CB 3.37Å; I88-L92 WeakPolarHBondContact O-CG 3.13Å; I88-L92 PolarHBondContact O-N 3.41Å; I88-Y123 HydrophobicContact CG1-CE2 4.29Å
89P89.8Confident93.4Very high19 Ų1936.1 Ų36.112%0.12317%0.165CC..Hα-helixtrans-57.6-42.2-177.5-29.536.6000114.7L84 L87 F93 I356 I360L84-P89 VanDerWaalsContact O-CD 3.23Å; L84-P89 WeakPolarHBondContact O-CD 3.22Å; L87-P89 VanDerWaalsContact C-CD 3.49Å; P89-F93 VanDerWaalsContact O-CB 3.3Å; P89-F93 WeakPolarHBondContact O-CB 3.5Å; P89-F93 PolarHBondContact O-N 3.29Å; P89-F93 VanDerWaalsContact O-N 3.16Å; P89-I356 HydrophobicContact CB-CG2 4.16Å; P89-I356 WeakPolarHBondContact O-CG2 3.25Å; P89-I360 HydrophobicContact CB-CB 4.17Å; P89-I360 HydrophobicContact CB-CD1 3.62Å; P89-I360 HydrophobicContact CB-CG2 4.15Å; P89-I360 HydrophobicContact CG-CB 3.92Å; P89-I360 HydrophobicContact CG-CD1 4.13Å; P89-I360 HydrophobicContact CG-CG2 3.42Å; P89-I360 VanDerWaalsContact CG-CG2 3.42Å
90A93Very high93.4Very high0 Ų036.9 Ų36.90%017%0.17CC..Hα-helixtrans-76-39.7-176.300000111.4L87 I88 F93 L94 Y311 L315 E357L87-A90 PolarHBondContact O-N 3.37Å; I88-A90 VanDerWaalsContact C-N 3.32Å; I88-A90 PolarHBondContact O-N 3.03Å; A90-F93 PolarHBondContact O-N 3.14Å; A90-L94 WeakPolarHBondContact O-CB 3.38Å; A90-L94 PolarHBondContact O-N 3.3Å; A90-Y311 HydrophobicContact CB-CD1 4.4Å; A90-Y311 HydrophobicContact CB-CE1 3.73Å; A90-L315 HydrophobicContact CB-CD1 3.57Å; A90-E357 HydrophobicContact CB-CB 4.36Å; A90-E357 HydrophobicContact CB-CG 4.49Å
91V94.5Very high93.4Very high4 Ų436.4 Ų36.42%0.02417%0.17CC..Hα-helixtrans-70.4-39.1178.7750000111.5L87 I88 F93 L94 I95 Y123 L148 L151 L315L87-V91 PolarHBondContact O-N 3.04Å; I88-V91 WeakPolarHBondContact O-CG1 3.45Å; I88-V91 PolarHBondContact O-N 2.94Å; V91-F93 VanDerWaalsContact C-N 3.31Å; V91-F93 PolarHBondContact O-N 3.02Å; V91-L94 WeakPolarHBondContact O-CB 3.27Å; V91-L94 PolarHBondContact O-N 3.29Å; V91-I95 HydrophobicContact CG2-CD1 4.08Å; V91-I95 HydrophobicContact CG2-CG1 4.47Å; V91-I95 WeakPolarHBondContact O-CB 3.41Å; V91-I95 VanDerWaalsContact O-CG1 3.26Å; V91-I95 WeakPolarHBondContact O-CG1 3.28Å; V91-I95 PolarHBondContact O-N 2.88Å; V91-Y123 WeakPolarHBondContact CG1-OH 3.47Å; V91-L148 HydrophobicContact CG2-CD1 4.07Å; V91-L148 HydrophobicContact CG2-CD2 4.32Å; V91-L151 HydrophobicContact CG2-CD2 4.28Å; V91-L315 HydrophobicContact CB-CD2 4.39Å; V91-L315 HydrophobicContact CG2-CD2 4.21Å
92L93.8Very high93.4Very high71 Ų7132 Ų3237%0.37215%0.151SC..Hα-helixtrans-65-39.3175.4-70.5-176.9000111.2I88 I95 C96 I121I88-L92 HydrophobicContact CG2-CD1 3.41Å; I88-L92 VanDerWaalsContact CG2-CD1 3.41Å; I88-L92 HydrophobicContact CG2-CG 3.8Å; I88-L92 WeakPolarHBondContact O-CB 3.37Å; I88-L92 WeakPolarHBondContact O-CG 3.13Å; I88-L92 PolarHBondContact O-N 3.41Å; L92-I95 PolarHBondContact O-N 3.15Å; L92-C96 WeakPolarHBondContact O-CB 3.46Å; L92-C96 PolarHBondContact O-N 3.4Å; L92-C96 PolarHBondContact O-SG 2.91Å; L92-I121 HydrophobicContact CD2-CG1 4.07Å
93F94.3Very high93.6Very high14 Ų1428.4 Ų28.46%0.06114%0.14CC..Hα-helixtrans-62.1-45.2174.3177.3-114.6000111.6P89 A90 V91 C96 V97 W316 I356 L383 L387P89-F93 VanDerWaalsContact O-CB 3.3Å; P89-F93 WeakPolarHBondContact O-CB 3.5Å; P89-F93 PolarHBondContact O-N 3.29Å; P89-F93 VanDerWaalsContact O-N 3.16Å; A90-F93 PolarHBondContact O-N 3.14Å; V91-F93 VanDerWaalsContact C-N 3.31Å; V91-F93 PolarHBondContact O-N 3.02Å; F93-C96 PolarHBondContact O-N 3.1Å; F93-V97 HydrophobicContact CD2-CG2 4.4Å; F93-V97 HydrophobicContact CE2-CG2 4.05Å; F93-V97 HydrophobicContact CZ-CG2 4.13Å; F93-V97 WeakPolarHBondContact O-CG2 3.16Å; F93-V97 PolarHBondContact O-N 3.4Å; F93-W316 HydrophobicContact CD1-CH2 4.48Å; F93-W316 AromaticContact CD1-CZ2 3.61Å; F93-W316 HydrophobicContact CD1-CZ2 3.61Å; F93-W316 HydrophobicContact CE1-CH2 4.17Å; F93-W316 AromaticContact CE1-CZ2 3.49Å; F93-W316 HydrophobicContact CE1-CZ2 3.49Å; F93-W316 VanDerWaalsContact CE1-CZ2 3.49Å; F93-W316 HydrophobicContact CZ-CZ2 4.49Å; F93-I356 HydrophobicContact CB-CG1 4.48Å; F93-I356 HydrophobicContact CB-CG2 3.97Å; F93-I356 HydrophobicContact CD1-CB 4.48Å; F93-I356 HydrophobicContact CD1-CG1 3.87Å; F93-I356 HydrophobicContact CD2-CD1 4.26Å; F93-I356 HydrophobicContact CD2-CG1 4.04Å; F93-I356 HydrophobicContact CE1-CG1 4.07Å; F93-I356 HydrophobicContact CE2-CD1 4.35Å; F93-I356 HydrophobicContact CE2-CG1 4.21Å; F93-I356 HydrophobicContact CG-CB 4.49Å; F93-I356 HydrophobicContact CG-CG1 3.87Å; F93-I356 HydrophobicContact CG-CG2 4.28Å; F93-I356 HydrophobicContact CZ-CG1 4.24Å; F93-L383 HydrophobicContact CE2-CD2 4.04Å; F93-L383 HydrophobicContact CE2-CG 4.3Å; F93-L383 HydrophobicContact CZ-CD2 4.34Å; F93-L387 HydrophobicContact CD2-CD1 3.87Å; F93-L387 HydrophobicContact CE2-CD1 3.41Å; F93-L387 VanDerWaalsContact CE2-CD1 3.41Å; F93-L387 HydrophobicContact CZ-CD1 4.4Å
94L96.6Very high93.6Very high0 Ų032.4 Ų32.40%016%0.162CC..Hα-helixtrans-54.9-54.9172.8-176.577.9000111.2A90 V91 C96 V97 V98 L148 L315 W316 P319A90-L94 WeakPolarHBondContact O-CB 3.38Å; A90-L94 PolarHBondContact O-N 3.3Å; V91-L94 WeakPolarHBondContact O-CB 3.27Å; V91-L94 PolarHBondContact O-N 3.29Å; L94-C96 VanDerWaalsContact C-N 3.29Å; L94-C96 PolarHBondContact O-N 3.32Å; L94-V97 PolarHBondContact O-N 2.85Å; L94-V97 VanDerWaalsContact O-N 3.15Å; L94-V98 HydrophobicContact CG-CG2 4.31Å; L94-V98 WeakPolarHBondContact O-CG2 3.28Å; L94-V98 PolarHBondContact O-N 3.38Å; L94-L148 HydrophobicContact CD2-CD1 4.37Å; L94-L148 HydrophobicContact CD2-CD2 4.2Å; L94-L315 HydrophobicContact CD1-CB 4.42Å; L94-L315 VanDerWaalsContact CD1-O 3.28Å; L94-L315 WeakPolarHBondContact CD1-O 3.3Å; L94-L315 HydrophobicContact CD2-CB 4.05Å; L94-L315 HydrophobicContact CD2-CD2 4.08Å; L94-L315 VanDerWaalsContact CD2-O 3.3Å; L94-L315 WeakPolarHBondContact CD2-O 3.35Å; L94-W316 HydrophobicContact CB-CZ2 4.43Å; L94-W316 HydrophobicContact CD1-CD2 3.48Å; L94-W316 VanDerWaalsContact CD1-CD2 3.48Å; L94-W316 HydrophobicContact CD1-CE3 3.57Å; L94-W316 HydrophobicContact CD1-CG 4.08Å; L94-W316 HydrophobicContact CD1-CH2 3.89Å; L94-W316 HydrophobicContact CD1-CZ2 3.8Å; L94-W316 HydrophobicContact CD1-CZ3 3.78Å; L94-P319 HydrophobicContact CD1-CG 4.12Å; L94-P319 HydrophobicContact CD2-CG 4.4Å
95I96.9Very high93.7Very high3 Ų333.5 Ų33.52%0.01516%0.163CC..Hα-helixtrans-57.4-43.6-178-70.1168.6000110.6V91 L92 V97 V98 L99 A117 A120 I121 L145V91-I95 HydrophobicContact CG2-CD1 4.08Å; V91-I95 HydrophobicContact CG2-CG1 4.47Å; V91-I95 WeakPolarHBondContact O-CB 3.41Å; V91-I95 VanDerWaalsContact O-CG1 3.26Å; V91-I95 WeakPolarHBondContact O-CG1 3.28Å; V91-I95 PolarHBondContact O-N 2.88Å; L92-I95 PolarHBondContact O-N 3.15Å; I95-V97 PolarHBondContact O-N 2.98Å; I95-V98 PolarHBondContact O-N 2.78Å; I95-L99 HydrophobicContact CG2-CD1 3.73Å; I95-L99 HydrophobicContact CG2-CG 4.21Å; I95-L99 WeakPolarHBondContact O-CB 3.34Å; I95-L99 VanDerWaalsContact O-CG 3.29Å; I95-L99 WeakPolarHBondContact O-CG 3.46Å; I95-L99 PolarHBondContact O-N 2.87Å; I95-A117 HydrophobicContact CG2-CB 3.81Å; I95-A120 HydrophobicContact CD1-CB 3.73Å; I95-A120 HydrophobicContact CG1-CB 4.46Å; I95-I121 HydrophobicContact CD1-CG1 3.93Å; I95-L145 HydrophobicContact CG1-CD2 4.44Å
96C95.8Very high93.8Very high14 Ų1431.2 Ų31.210%0.09515%0.153CC..Hα-helixtrans-65.5-39.7-179.9-64.20000112.5L92 F93 L94 T100 L387 S391L92-C96 WeakPolarHBondContact O-CB 3.46Å; L92-C96 PolarHBondContact O-N 3.4Å; L92-C96 PolarHBondContact O-SG 2.91Å; F93-C96 PolarHBondContact O-N 3.1Å; L94-C96 VanDerWaalsContact C-N 3.29Å; L94-C96 PolarHBondContact O-N 3.32Å; C96-T100 VanDerWaalsContact O-CB 3.32Å; C96-T100 WeakPolarHBondContact O-CB 3.19Å; C96-T100 PolarHBondContact O-N 3.38Å; C96-T100 PolarHBondContact O-OG1 2.94Å; C96-L387 HydrophobicContact CB-CB 3.85Å; C96-S391 WeakPolarHBondContact CA-OG 3.33Å; C96-S391 VanDerWaalsContact CB-OG 3.32Å; C96-S391 WeakPolarHBondContact CB-OG 3.32Å; C96-S391 PolarHBondContact O-OG 2.68Å
97V95.8Very high94Very high32 Ų3228.9 Ų28.919%0.19415%0.148CC..Hα-helixtrans-66.5-44.7175.7172.70000110.8F93 L94 I95 T100 F101 W316 L387F93-V97 HydrophobicContact CD2-CG2 4.4Å; F93-V97 HydrophobicContact CE2-CG2 4.05Å; F93-V97 HydrophobicContact CZ-CG2 4.13Å; F93-V97 WeakPolarHBondContact O-CG2 3.16Å; F93-V97 PolarHBondContact O-N 3.4Å; L94-V97 PolarHBondContact O-N 2.85Å; L94-V97 VanDerWaalsContact O-N 3.15Å; I95-V97 PolarHBondContact O-N 2.98Å; V97-T100 PolarHBondContact O-N 3.45Å; V97-F101 VanDerWaalsContact O-CB 3.32Å; V97-F101 WeakPolarHBondContact O-CB 3.38Å; V97-F101 PolarHBondContact O-N 2.84Å; V97-W316 HydrophobicContact CB-CH2 3.72Å; V97-W316 HydrophobicContact CB-CZ3 4.33Å; V97-W316 HydrophobicContact CG1-CH2 3.75Å; V97-W316 HydrophobicContact CG1-CZ3 3.92Å; V97-W316 HydrophobicContact CG2-CH2 3.88Å; V97-L387 HydrophobicContact CG2-CD1 3.6Å; V97-L387 HydrophobicContact CG2-CD2 4.01Å; V97-L387 HydrophobicContact CG2-CG 4.43Å
98V96.7Very high93.7Very high3 Ų331.6 Ų31.62%0.01816%0.161CC..Hα-helixtrans-62.1-46.8178.3172.20000110.8L94 I95 T100 F101 T102 M113 P144 L145 P319 F323L94-V98 HydrophobicContact CG-CG2 4.31Å; L94-V98 WeakPolarHBondContact O-CG2 3.28Å; L94-V98 PolarHBondContact O-N 3.38Å; I95-V98 PolarHBondContact O-N 2.78Å; V98-T100 PolarHBondContact O-N 3.43Å; V98-F101 PolarHBondContact O-N 3.38Å; V98-T102 WeakPolarHBondContact O-CB 3.41Å; V98-T102 PolarHBondContact O-N 3.27Å; V98-T102 PolarHBondContact O-OG1 3.25Å; V98-M113 HydrophobicContact CG1-CE 3.97Å; V98-M113 HydrophobicContact CG1-CG 4.41Å; V98-M113 HydrophobicContact CG1-SD 3.51Å; V98-M113 VanDerWaalsContact CG1-SD 3.51Å; V98-P144 HydrophobicContact CG1-CB 4.3Å; V98-P144 HydrophobicContact CG1-CG 3.93Å; V98-L145 HydrophobicContact CB-CD2 4.14Å; V98-L145 HydrophobicContact CG1-CD1 4.47Å; V98-L145 HydrophobicContact CG1-CD2 3.92Å; V98-L145 HydrophobicContact CG1-CG 4.06Å; V98-L145 HydrophobicContact CG2-CD2 4.06Å; V98-P319 HydrophobicContact CG2-CB 3.89Å; V98-P319 HydrophobicContact CG2-CG 4.14Å; V98-F323 HydrophobicContact CB-CE2 4.48Å; V98-F323 HydrophobicContact CG1-CE2 3.98Å; V98-F323 HydrophobicContact CG1-CZ 3.92Å; V98-F323 HydrophobicContact CG2-CE2 4.31Å
99L96.3Very high93.8Very high1 Ų129.7 Ų29.71%0.00515%0.151CC..Hα-helixtrans-60.9-43.9176.6-73.6171.3000112.2I95 T102 L103 M113 A117 V394 L395I95-L99 HydrophobicContact CG2-CD1 3.73Å; I95-L99 HydrophobicContact CG2-CG 4.21Å; I95-L99 WeakPolarHBondContact O-CB 3.34Å; I95-L99 VanDerWaalsContact O-CG 3.29Å; I95-L99 WeakPolarHBondContact O-CG 3.46Å; I95-L99 PolarHBondContact O-N 2.87Å; L99-T102 PolarHBondContact O-N 3.27Å; L99-L103 WeakPolarHBondContact O-CB 2.94Å; L99-L103 PolarHBondContact O-N 2.94Å; L99-M113 HydrophobicContact CD2-CB 4.37Å; L99-M113 HydrophobicContact CD2-CG 3.64Å; L99-A117 HydrophobicContact CD1-CB 4.03Å; L99-A117 HydrophobicContact CD2-CB 3.91Å; L99-A117 HydrophobicContact CG-CB 4.19Å; L99-V394 HydrophobicContact CD2-CG1 3.81Å; L99-L395 HydrophobicContact CD1-CD1 4.46Å; L99-L395 HydrophobicContact CD1-CD2 4.31Å; L99-L395 HydrophobicContact CD1-CG 4.2Å
100T94.5Very high93.9Very high23 Ų2328.8 Ų28.814%0.14115%0.145CC..Hα-helixtrans-64.3-43177.7-56.30000110.9C96 V97 V98 L103 I104 L387 P390C96-T100 VanDerWaalsContact O-CB 3.32Å; C96-T100 WeakPolarHBondContact O-CB 3.19Å; C96-T100 PolarHBondContact O-N 3.38Å; C96-T100 PolarHBondContact O-OG1 2.94Å; V97-T100 PolarHBondContact O-N 3.45Å; V98-T100 PolarHBondContact O-N 3.43Å; T100-L103 PolarHBondContact O-N 3.48Å; T100-I104 HydrophobicContact CG2-CD1 3.94Å; T100-I104 WeakPolarHBondContact O-CG1 3.32Å; T100-I104 PolarHBondContact O-N 2.92Å; T100-L387 HydrophobicContact CG2-CD2 4.44Å; T100-P390 HydrophobicContact CG2-CB 4.47Å; T100-P390 HydrophobicContact CG2-CG 4.47Å
101F95Very high93.9Very high60 Ų6029.3 Ų29.326%0.26315%0.148SC..Hα-helixtrans-62.7-46.7176.4-174-83.1000111.4V97 V98 L103 I104 F105 F323V97-F101 VanDerWaalsContact O-CB 3.32Å; V97-F101 WeakPolarHBondContact O-CB 3.38Å; V97-F101 PolarHBondContact O-N 2.84Å; V98-F101 PolarHBondContact O-N 3.38Å; F101-L103 VanDerWaalsContact C-N 3.34Å; F101-L103 PolarHBondContact O-N 3.15Å; F101-I104 PolarHBondContact O-N 2.73Å; F101-F105 HydrophobicContact CD1-CB 4.33Å; F101-F105 HydrophobicContact CD1-CD2 4.24Å; F101-F105 AromaticContact CD2-CD2 3.58Å; F101-F105 HydrophobicContact CD2-CD2 3.58Å; F101-F105 AromaticContact CD2-CE2 3.95Å; F101-F105 HydrophobicContact CD2-CE2 3.95Å; F101-F105 HydrophobicContact CE1-CB 3.95Å; F101-F105 HydrophobicContact CE1-CD2 4.21Å; F101-F105 HydrophobicContact CE1-CG 4.41Å; F101-F105 AromaticContact CE2-CD2 3.54Å; F101-F105 HydrophobicContact CE2-CD2 3.54Å; F101-F105 AromaticContact CE2-CE2 3.93Å; F101-F105 HydrophobicContact CE2-CE2 3.93Å; F101-F105 HydrophobicContact CE2-CG 4.25Å; F101-F105 AromaticContact CG-CD2 3.94Å; F101-F105 HydrophobicContact CG-CD2 3.94Å; F101-F105 HydrophobicContact CZ-CB 4.12Å; F101-F105 AromaticContact CZ-CD2 3.88Å; F101-F105 HydrophobicContact CZ-CD2 3.88Å; F101-F105 HydrophobicContact CZ-CG 4.15Å; F101-F105 PolarHBondContact O-N 3.3Å; F101-F323 HydrophobicContact CB-CE2 4.41Å; F101-F323 AromaticContact CD1-CD1 3.82Å; F101-F323 HydrophobicContact CD1-CD1 3.82Å; F101-F323 AromaticContact CD1-CD2 3.79Å; F101-F323 HydrophobicContact CD1-CD2 3.79Å; F101-F323 AromaticContact CD1-CE1 3.72Å; F101-F323 HydrophobicContact CD1-CE1 3.72Å; F101-F323 AromaticContact CD1-CE2 3.68Å; F101-F323 HydrophobicContact CD1-CE2 3.68Å; F101-F323 AromaticContact CD1-CG 3.85Å; F101-F323 HydrophobicContact CD1-CG 3.85Å; F101-F323 AromaticContact CD1-CZ 3.62Å; F101-F323 HydrophobicContact CD1-CZ 3.62Å; F101-F323 HydrophobicContact CE1-CB 3.94Å; F101-F323 AromaticContact CE1-CD1 3.57Å; F101-F323 HydrophobicContact CE1-CD1 3.57Å; F101-F323 AromaticContact CE1-CD2 3.94Å; F101-F323 HydrophobicContact CE1-CD2 3.94Å; F101-F323 AromaticContact CE1-CE1 3.94Å; F101-F323 HydrophobicContact CE1-CE1 3.94Å; F101-F323 HydrophobicContact CE1-CE2 4.27Å; F101-F323 AromaticContact CE1-CG 3.57Å; F101-F323 HydrophobicContact CE1-CG 3.57Å; F101-F323 HydrophobicContact CE1-CZ 4.25Å; F101-F323 HydrophobicContact CG-CD2 4.38Å; F101-F323 HydrophobicContact CG-CE2 4.2Å; F101-F323 HydrophobicContact CG-CZ 4.45Å; F101-F323 HydrophobicContact CZ-CB 4.24Å; F101-F323 HydrophobicContact CZ-CG 4.3Å
102T94.4Very high93.7Very high0 Ų032.7 Ų32.70%016%0.164CC..Hα-helixtrans-59.7-44.2176.8-61.70000111.5V98 L99 I104 K106 P107 L109 I110 M113V98-T102 WeakPolarHBondContact O-CB 3.41Å; V98-T102 PolarHBondContact O-N 3.27Å; V98-T102 PolarHBondContact O-OG1 3.25Å; L99-T102 PolarHBondContact O-N 3.27Å; T102-I104 VanDerWaalsContact C-N 3.27Å; T102-I104 PolarHBondContact O-N 3.07Å; T102-K106 HydrophobicContact CG2-CB 4.37Å; T102-K106 VanDerWaalsContact CG2-O 3.28Å; T102-K106 WeakPolarHBondContact CG2-O 3.32Å; T102-K106 CarbonylContact O-C 3.59Å; T102-K106 WeakPolarHBondContact O-CA 3.27Å; T102-K106 PolarHBondContact O-N 3Å; T102-P107 VanDerWaalsContact O-N 3.11Å; T102-L109 HydrophobicContact CG2-CB 4.02Å; T102-I110 HydrophobicContact CG2-CD1 3.92Å; T102-M113 HydrophobicContact CG2-CB 3.96Å; T102-M113 HydrophobicContact CG2-CE 4.15Å; T102-M113 HydrophobicContact CG2-CG 4.14Å; T102-M113 WeakPolarHBondContact OG1-CE 3.32Å
103L93Very high93.7Very high31 Ų3129.5 Ų29.516%0.16215%0.147CC..Hα-helixtrans-58.6-39.2178179.162.4000112.6L99 T100 F101 I110 P390 V394 F399 L402L99-L103 WeakPolarHBondContact O-CB 2.94Å; L99-L103 PolarHBondContact O-N 2.94Å; T100-L103 PolarHBondContact O-N 3.48Å; F101-L103 VanDerWaalsContact C-N 3.34Å; F101-L103 PolarHBondContact O-N 3.15Å; L103-I110 HydrophobicContact CB-CD1 4.17Å; L103-I110 HydrophobicContact CD1-CD1 4.39Å; L103-P390 HydrophobicContact CD2-CB 4.34Å; L103-V394 HydrophobicContact CB-CG2 4.18Å; L103-V394 HydrophobicContact CD1-CG2 4.22Å; L103-V394 HydrophobicContact CD2-CG2 3.95Å; L103-V394 HydrophobicContact CG-CG2 4.35Å; L103-F399 HydrophobicContact CD1-CB 3.99Å; L103-F399 HydrophobicContact CD1-CD1 3.72Å; L103-F399 HydrophobicContact CD1-CD2 3.5Å; L103-F399 VanDerWaalsContact CD1-CD2 3.5Å; L103-F399 HydrophobicContact CD1-CE1 4Å; L103-F399 HydrophobicContact CD1-CE2 3.77Å; L103-F399 HydrophobicContact CD1-CG 3.46Å; L103-F399 VanDerWaalsContact CD1-CG 3.46Å; L103-F399 HydrophobicContact CD1-CZ 4.02Å; L103-F399 HydrophobicContact CD2-CD2 4.04Å; L103-F399 HydrophobicContact CD2-CE2 3.61Å; L103-F399 HydrophobicContact CD2-CZ 4.02Å; L103-F399 HydrophobicContact CG-CD2 4.44Å; L103-F399 HydrophobicContact CG-CE2 4.35Å; L103-L402 HydrophobicContact CD1-CD1 4.42Å
104I93.4Very high93.7Very high108 Ų10830.1 Ų30.155%0.55415%0.15SC*.Hα-helixtrans-84.1-44.2-175.2-63.3168.7000111.9T100 F101 T102T100-I104 HydrophobicContact CG2-CD1 3.94Å; T100-I104 WeakPolarHBondContact O-CG1 3.32Å; T100-I104 PolarHBondContact O-N 2.92Å; F101-I104 PolarHBondContact O-N 2.73Å; T102-I104 VanDerWaalsContact C-N 3.27Å; T102-I104 PolarHBondContact O-N 3.07Å
105F93.6Very high93.7Very high113 Ų11335.9 Ų35.950%0.49617%0.171SC..Hα-helixtrans-113.1-18.4-166.4-62.3-73.5000114.8F101F101-F105 HydrophobicContact CD1-CB 4.33Å; F101-F105 HydrophobicContact CD1-CD2 4.24Å; F101-F105 AromaticContact CD2-CD2 3.58Å; F101-F105 HydrophobicContact CD2-CD2 3.58Å; F101-F105 AromaticContact CD2-CE2 3.95Å; F101-F105 HydrophobicContact CD2-CE2 3.95Å; F101-F105 HydrophobicContact CE1-CB 3.95Å; F101-F105 HydrophobicContact CE1-CD2 4.21Å; F101-F105 HydrophobicContact CE1-CG 4.41Å; F101-F105 AromaticContact CE2-CD2 3.54Å; F101-F105 HydrophobicContact CE2-CD2 3.54Å; F101-F105 AromaticContact CE2-CE2 3.93Å; F101-F105 HydrophobicContact CE2-CE2 3.93Å; F101-F105 HydrophobicContact CE2-CG 4.25Å; F101-F105 AromaticContact CG-CD2 3.94Å; F101-F105 HydrophobicContact CG-CD2 3.94Å; F101-F105 HydrophobicContact CZ-CB 4.12Å; F101-F105 AromaticContact CZ-CD2 3.88Å; F101-F105 HydrophobicContact CZ-CD2 3.88Å; F101-F105 HydrophobicContact CZ-CG 4.15Å; F101-F105 PolarHBondContact O-N 3.3Å
106K91.8Very high93.6Very high21 Ų2136 Ų369%0.09117%0.172CC..  trans-139.350.9-177.2-60.2-69.4-179.1175.50111.9T102 E108 L109 F323 S326T102-K106 HydrophobicContact CG2-CB 4.37Å; T102-K106 VanDerWaalsContact CG2-O 3.28Å; T102-K106 WeakPolarHBondContact CG2-O 3.32Å; T102-K106 CarbonylContact O-C 3.59Å; T102-K106 WeakPolarHBondContact O-CA 3.27Å; T102-K106 PolarHBondContact O-N 3Å; K106-E108 WeakPolarHBondContact CA-OE2 3.3Å; K106-E108 WeakPolarHBondContact CD-OE1 3.47Å; K106-E108 PolarHBondContact O-N 2.99Å; K106-E108 VanDerWaalsContact O-N 3.07Å; K106-L109 HydrophobicContact CB-CD1 4.04Å; K106-L109 HydrophobicContact CB-CG 4.3Å; K106-L109 HydrophobicContact CG-CD1 4.47Å; K106-L109 PolarHBondContact O-N 3.06Å; K106-F323 HydrophobicContact CG-CE1 4.44Å; K106-S326 WeakPolarHBondContact CE-OG 3.37Å; K106-S326 PolarHBondContact NZ-OG 3.41Å; K106-S326 VanDerWaalsContact NZ-OG 3.11Å
107P91.2Very high93.7Very high32 Ų3235.3 Ų35.321%0.20817%0.168CC..G310 helixtrans-58-24-174.826.1-35.9000113.2T102 L109 I110 L402T102-P107 VanDerWaalsContact O-N 3.11Å; P107-L109 PolarHBondContact O-N 2.99Å; P107-I110 WeakPolarHBondContact O-CB 3.49Å; P107-I110 VanDerWaalsContact O-CG2 3.26Å; P107-I110 WeakPolarHBondContact O-CG2 3.38Å; P107-I110 PolarHBondContact O-N 2.55Å; P107-I110 VanDerWaalsContact O-N 3.15Å; P107-L402 HydrophobicContact CB-CB 4.19Å; P107-L402 HydrophobicContact CB-CD1 4.22Å
108E87.2Confident93.7Very high61 Ų6137.2 Ų37.229%0.28518%0.176SC..G310 helixtrans-60.4-21.7173.671.4-79-173.200113.9K106 H406K106-E108 WeakPolarHBondContact CA-OE2 3.3Å; K106-E108 WeakPolarHBondContact CD-OE1 3.47Å; K106-E108 PolarHBondContact O-N 2.99Å; K106-E108 VanDerWaalsContact O-N 3.07Å; E108-H406 VanDerWaalsContact CA-CD2 3.49Å; E108-H406 WeakPolarHBondContact CA-CD2 3.16Å; E108-H406 HydrophobicContact CB-CB 3.66Å; E108-H406 WeakPolarHBondContact CB-CD2 3.34Å; E108-H406 VanDerWaalsContact CB-CG 3.45Å
109L91.3Very high93.8Very high13 Ų1337.3 Ų37.37%0.06818%0.177CC..G310 helixtrans-98.50.6179.6-55.6179.3000113.2T102 K106 P107 I111 Q112 M113 I142T102-L109 HydrophobicContact CG2-CB 4.02Å; K106-L109 HydrophobicContact CB-CD1 4.04Å; K106-L109 HydrophobicContact CB-CG 4.3Å; K106-L109 HydrophobicContact CG-CD1 4.47Å; K106-L109 PolarHBondContact O-N 3.06Å; P107-L109 PolarHBondContact O-N 2.99Å; L109-I111 VanDerWaalsContact C-N 3.31Å; L109-I111 PolarHBondContact O-N 2.83Å; L109-Q112 PolarHBondContact O-N 3.39Å; L109-M113 WeakPolarHBondContact O-CB 3.44Å; L109-M113 PolarHBondContact O-N 2.92Å; L109-I142 HydrophobicContact CD1-CB 3.67Å; L109-I142 HydrophobicContact CD1-CD1 4.29Å; L109-I142 HydrophobicContact CD1-CG2 3.38Å
110I93Very high93.8Very high0 Ų037.4 Ų37.40%018%0.178CC..Hα-helixtrans-61.3-36.1-165.8-159.564.3000113.6T102 L103 P107 K114 V394 F399T102-I110 HydrophobicContact CG2-CD1 3.92Å; L103-I110 HydrophobicContact CB-CD1 4.17Å; L103-I110 HydrophobicContact CD1-CD1 4.39Å; P107-I110 WeakPolarHBondContact O-CB 3.49Å; P107-I110 VanDerWaalsContact O-CG2 3.26Å; P107-I110 WeakPolarHBondContact O-CG2 3.38Å; P107-I110 PolarHBondContact O-N 2.55Å; P107-I110 VanDerWaalsContact O-N 3.15Å; I110-K114 VanDerWaalsContact O-CB 3.28Å; I110-K114 WeakPolarHBondContact O-CB 3.26Å; I110-K114 PolarHBondContact O-N 3.46Å; I110-V394 HydrophobicContact CD1-CB 4.38Å; I110-V394 HydrophobicContact CD1-CG1 3.52Å; I110-V394 HydrophobicContact CD1-CG2 3.87Å; I110-V394 HydrophobicContact CG1-CG1 3.83Å; I110-V394 HydrophobicContact CG1-CG2 4.45Å; I110-F399 HydrophobicContact CG1-CB 4.26Å; I110-F399 WeakPolarHBondContact CG2-O 3.42Å
111I92.2Very high93.9Very high11 Ų1139 Ų396%0.05618%0.184CC..Hα-helixtrans-69.4-47.1179.7-62.6172.9000110.5L109 K114 R115 D400 K404L109-I111 VanDerWaalsContact C-N 3.31Å; L109-I111 PolarHBondContact O-N 2.83Å; I111-K114 PolarHBondContact O-N 2.88Å; I111-R115 WeakPolarHBondContact O-CG 3.24Å; I111-R115 PolarHBondContact O-N 3.4Å; I111-D400 HydrophobicContact CG1-CB 4.44Å; I111-K404 HydrophobicContact CD1-CG 3.75Å
112Q91Very high94Very high75 Ų7543.1 Ų43.135%0.3520%0.203SC..Hα-helixtrans-61.4-48176.1-179175.3-2.200110.1L109 K114 R115 D116 E143L109-Q112 PolarHBondContact O-N 3.39Å; Q112-K114 VanDerWaalsContact C-N 3.31Å; Q112-K114 PolarHBondContact O-N 2.7Å; Q112-R115 PolarHBondContact O-N 2.92Å; Q112-R115 VanDerWaalsContact O-N 3.12Å; Q112-D116 PolarHBondContact O-N 3.2Å; Q112-E143 PolarHBondContact NE2-OE1 2.92Å
113M94.1Very high94.1Very high4 Ų444.4 Ų44.42%0.0221%0.208CC..Hα-helixtrans-59-41.1179.3-164.861.367.700112.7V98 L99 T102 L109 D116 A117 P144 L145 F323V98-M113 HydrophobicContact CG1-CE 3.97Å; V98-M113 HydrophobicContact CG1-CG 4.41Å; V98-M113 HydrophobicContact CG1-SD 3.51Å; V98-M113 VanDerWaalsContact CG1-SD 3.51Å; L99-M113 HydrophobicContact CD2-CB 4.37Å; L99-M113 HydrophobicContact CD2-CG 3.64Å; T102-M113 HydrophobicContact CG2-CB 3.96Å; T102-M113 HydrophobicContact CG2-CE 4.15Å; T102-M113 HydrophobicContact CG2-CG 4.14Å; T102-M113 WeakPolarHBondContact OG1-CE 3.32Å; L109-M113 WeakPolarHBondContact O-CB 3.44Å; L109-M113 PolarHBondContact O-N 2.92Å; M113-D116 PolarHBondContact O-N 2.94Å; M113-A117 WeakPolarHBondContact O-CB 3.5Å; M113-A117 PolarHBondContact O-N 2.94Å; M113-P144 HydrophobicContact CE-CG 3.1Å; M113-P144 HydrophobicContact SD-CG 3.87Å; M113-L145 HydrophobicContact SD-CD1 3.84Å; M113-L145 HydrophobicContact SD-CG 3.96Å; M113-F323 HydrophobicContact CE-CZ 4.21Å
114K94.8Very high94.3Very high27 Ų2746 Ų4612%0.11722%0.218CC..Hα-helixtrans-58.6-48175.9179.217973179.80111.3I110 I111 Q112 A117 I118 V394 L395 D400I110-K114 VanDerWaalsContact O-CB 3.28Å; I110-K114 WeakPolarHBondContact O-CB 3.26Å; I110-K114 PolarHBondContact O-N 3.46Å; I111-K114 PolarHBondContact O-N 2.88Å; Q112-K114 VanDerWaalsContact C-N 3.31Å; Q112-K114 PolarHBondContact O-N 2.7Å; K114-A117 PolarHBondContact O-N 2.61Å; K114-I118 HydrophobicContact CG-CD1 4.09Å; K114-I118 VanDerWaalsContact O-CG1 3.28Å; K114-I118 WeakPolarHBondContact O-CG1 2.9Å; K114-I118 PolarHBondContact O-N 3.14Å; K114-V394 WeakPolarHBondContact CD-O 3.39Å; K114-L395 HydrophobicContact CG-CD2 4.14Å; K114-D400 IonicContact NZ-OD1 3.75Å; K114-D400 PolarHBondContact NZ-OD1 3.48Å; K114-D400 IonicContact NZ-OD2 3.86Å; K114-D400 PolarHBondContact NZ-OD2 2.92Å
115R94.8Very high94.5Very high121 Ų12140.9 Ų40.946%0.45719%0.192SC..Hα-helixtrans-64.6-45.5-178.8-66.5172.9-179.9179.62.5111.3I111 Q112 A117 I118 A119 W128I111-R115 WeakPolarHBondContact O-CG 3.24Å; I111-R115 PolarHBondContact O-N 3.4Å; Q112-R115 PolarHBondContact O-N 2.92Å; Q112-R115 VanDerWaalsContact O-N 3.12Å; R115-A117 VanDerWaalsContact C-N 3.34Å; R115-A117 PolarHBondContact O-N 3.23Å; R115-I118 PolarHBondContact O-N 2.83Å; R115-A119 PolarHBondContact O-N 3.23Å; R115-W128 HydrophobicContact CB-CH2 4.14Å; R115-W128 HydrophobicContact CB-CZ2 3.48Å; R115-W128 VanDerWaalsContact CB-CZ2 3.48Å; R115-W128 HydrophobicContact CG-CH2 4.32Å; R115-W128 HydrophobicContact CG-CZ2 4.06Å
116D96.1Very high94.7Very high6 Ų635.5 Ų35.53%0.03217%0.169CC..Hα-helixtrans-62.7-40.9176.9-78.419000112.2Q112 M113 A119 A120 W128 Y129 L145Q112-D116 PolarHBondContact O-N 3.2Å; M113-D116 PolarHBondContact O-N 2.94Å; D116-A119 PolarHBondContact O-N 2.98Å; D116-A120 WeakPolarHBondContact O-CB 3.48Å; D116-A120 PolarHBondContact O-N 3.15Å; D116-W128 PolarHBondContact OD1-NE1 3.15Å; D116-Y129 WeakPolarHBondContact OD2-CE1 3.41Å; D116-Y129 PolarHBondContact OD2-OH 3.06Å; D116-L145 HydrophobicContact CB-CB 4.3Å; D116-L145 HydrophobicContact CB-CD1 4.27Å
117A97.2Very high94.9Very high0 Ų039.1 Ų39.10%018%0.182CC..Hα-helixtrans-64.3-43.1175.800000112I95 L99 M113 K114 R115 A119 A120 I121 L145 L395I95-A117 HydrophobicContact CG2-CB 3.81Å; L99-A117 HydrophobicContact CD1-CB 4.03Å; L99-A117 HydrophobicContact CD2-CB 3.91Å; L99-A117 HydrophobicContact CG-CB 4.19Å; M113-A117 WeakPolarHBondContact O-CB 3.5Å; M113-A117 PolarHBondContact O-N 2.94Å; K114-A117 PolarHBondContact O-N 2.61Å; R115-A117 VanDerWaalsContact C-N 3.34Å; R115-A117 PolarHBondContact O-N 3.23Å; A117-A119 VanDerWaalsContact C-N 3.34Å; A117-A120 PolarHBondContact O-N 3.22Å; A117-I121 WeakPolarHBondContact O-CB 3.14Å; A117-I121 WeakPolarHBondContact O-CD1 3.36Å; A117-I121 WeakPolarHBondContact O-CG1 3.34Å; A117-I121 PolarHBondContact O-N 3.49Å; A117-L145 HydrophobicContact CB-CD1 4Å; A117-L395 HydrophobicContact CB-CD2 4.23Å
118I97Very high95.2Very high72 Ų7240.6 Ų40.637%0.36918%0.183SC..Hα-helixtrans-59.4-48.4174.2-68.7166.4000109.7K114 R115 A120 I121 F122 L395K114-I118 HydrophobicContact CG-CD1 4.09Å; K114-I118 VanDerWaalsContact O-CG1 3.28Å; K114-I118 WeakPolarHBondContact O-CG1 2.9Å; K114-I118 PolarHBondContact O-N 3.14Å; R115-I118 PolarHBondContact O-N 2.83Å; I118-A120 VanDerWaalsContact C-N 3.29Å; I118-A120 PolarHBondContact O-N 2.88Å; I118-I121 PolarHBondContact O-N 3.41Å; I118-F122 HydrophobicContact CG2-CD2 3.98Å; I118-F122 HydrophobicContact CG2-CE2 4.13Å; I118-F122 VanDerWaalsContact O-CD2 3.27Å; I118-F122 WeakPolarHBondContact O-CD2 3.1Å; I118-F122 PolarHBondContact O-N 3.42Å; I118-F122 VanDerWaalsContact O-N 3.17Å; I118-L395 HydrophobicContact CD1-CD2 4.44Å; I118-L395 HydrophobicContact CG1-CD2 3.81Å
119A97.5Very high95.6Very high5 Ų537.7 Ų37.74%0.04117%0.17CC..Hα-helixtrans-60.8-38.6178.500000112.2R115 D116 A117 Y123 V124 S125 W128R115-A119 PolarHBondContact O-N 3.23Å; D116-A119 PolarHBondContact O-N 2.98Å; A117-A119 VanDerWaalsContact C-N 3.34Å; A119-Y123 PolarHBondContact O-N 3.24Å; A119-Y123 VanDerWaalsContact O-N 3.1Å; A119-V124 HydrophobicContact CB-CG2 4.16Å; A119-V124 WeakPolarHBondContact O-CG2 3.2Å; A119-V124 PolarHBondContact O-N 3.4Å; A119-S125 PolarHBondContact O-N 3.4Å; A119-W128 HydrophobicContact CB-CB 3.61Å; A119-W128 HydrophobicContact CB-CD2 4.5Å; A119-W128 HydrophobicContact CB-CG 3.71Å
120A97.3Very high95.7Very high2 Ų238.3 Ų38.32%0.01717%0.173CC..Hα-helixtrans-70-40.2177.300000113I95 D116 A117 I118 F122 Y123 S125 L148I95-A120 HydrophobicContact CD1-CB 3.73Å; I95-A120 HydrophobicContact CG1-CB 4.46Å; D116-A120 WeakPolarHBondContact O-CB 3.48Å; D116-A120 PolarHBondContact O-N 3.15Å; A117-A120 PolarHBondContact O-N 3.22Å; I118-A120 VanDerWaalsContact C-N 3.29Å; I118-A120 PolarHBondContact O-N 2.88Å; A120-F122 VanDerWaalsContact C-N 3.27Å; A120-F122 PolarHBondContact O-N 2.66Å; A120-Y123 PolarHBondContact O-N 3.12Å; A120-Y123 VanDerWaalsContact O-N 3.13Å; A120-S125 WeakPolarHBondContact CA-OG 3.3Å; A120-S125 PolarHBondContact N-OG 3.18Å; A120-S125 VanDerWaalsContact N-OG 3.15Å; A120-L148 HydrophobicContact CB-CD1 3.68Å
121I95.8Very high95.8Very high56 Ų5641.6 Ų41.629%0.28720%0.196SC..Hα-helixtrans-59-41.1176.5-73.5163.3000110.7L92 I95 A117 I118 L395L92-I121 HydrophobicContact CD2-CG1 4.07Å; I95-I121 HydrophobicContact CD1-CG1 3.93Å; A117-I121 WeakPolarHBondContact O-CB 3.14Å; A117-I121 WeakPolarHBondContact O-CD1 3.36Å; A117-I121 WeakPolarHBondContact O-CG1 3.34Å; A117-I121 PolarHBondContact O-N 3.49Å; I118-I121 PolarHBondContact O-N 3.41Å; I121-L395 HydrophobicContact CD1-CD1 3.97Å
122F96.4Very high95.6Very high147 Ų14745.5 Ų45.565%0.64521%0.214SC*.THydrogen-bonded Turntrans-90.75.1179.7-68.4-70.7000113.9I118 A120 V124I118-F122 HydrophobicContact CG2-CD2 3.98Å; I118-F122 HydrophobicContact CG2-CE2 4.13Å; I118-F122 VanDerWaalsContact O-CD2 3.27Å; I118-F122 WeakPolarHBondContact O-CD2 3.1Å; I118-F122 PolarHBondContact O-N 3.42Å; I118-F122 VanDerWaalsContact O-N 3.17Å; A120-F122 VanDerWaalsContact C-N 3.27Å; A120-F122 PolarHBondContact O-N 2.66Å; F122-V124 VanDerWaalsContact C-N 3.28Å; F122-V124 HydrophobicContact CB-CG2 4.14Å; F122-V124 PolarHBondContact O-N 2.72Å
123Y96.6Very high95.4Very high28 Ų2848.1 Ų48.111%0.1123%0.23CC..THydrogen-bonded Turntrans52.544-177.5-68.2-68.6000113.6I88 V91 A119 A120 L151 A152 E155 Q156I88-Y123 HydrophobicContact CG1-CE2 4.29Å; V91-Y123 WeakPolarHBondContact CG1-OH 3.47Å; A119-Y123 PolarHBondContact O-N 3.24Å; A119-Y123 VanDerWaalsContact O-N 3.1Å; A120-Y123 PolarHBondContact O-N 3.12Å; A120-Y123 VanDerWaalsContact O-N 3.13Å; Y123-L151 HydrophobicContact CD1-CG 4.29Å; Y123-L151 HydrophobicContact CE1-CD2 3.74Å; Y123-L151 HydrophobicContact CE1-CG 3.7Å; Y123-A152 WeakPolarHBondContact O-CB 3.36Å; Y123-E155 HydrophobicContact CD1-CB 3.88Å; Y123-E155 HydrophobicContact CD1-CG 3.49Å; Y123-E155 VanDerWaalsContact CD1-CG 3.49Å; Y123-E155 HydrophobicContact CD2-CB 3.95Å; Y123-E155 HydrophobicContact CD2-CG 3.84Å; Y123-E155 HydrophobicContact CE1-CB 4.31Å; Y123-E155 HydrophobicContact CE1-CG 3.42Å; Y123-E155 VanDerWaalsContact CE1-CG 3.42Å; Y123-E155 HydrophobicContact CE2-CB 4.35Å; Y123-E155 HydrophobicContact CE2-CG 3.75Å; Y123-E155 HydrophobicContact CG-CB 3.67Å; Y123-E155 HydrophobicContact CG-CG 3.69Å; Y123-Q156 PolarHBondContact O-NE2 2.87Å
124V97.7Very high95Very high63 Ų6349 Ų4938%0.38224%0.236SC..  trans-122.312.9175.8-62.80000112.8A119 F122 N126 W127 W128A119-V124 HydrophobicContact CB-CG2 4.16Å; A119-V124 WeakPolarHBondContact O-CG2 3.2Å; A119-V124 PolarHBondContact O-N 3.4Å; F122-V124 VanDerWaalsContact C-N 3.28Å; F122-V124 HydrophobicContact CB-CG2 4.14Å; F122-V124 PolarHBondContact O-N 2.72Å; V124-N126 PolarHBondContact O-N 2.97Å; V124-N126 VanDerWaalsContact O-N 3.16Å; V124-W127 PolarHBondContact O-N 3.35Å; V124-W127 VanDerWaalsContact O-N 3.1Å; V124-W128 PolarHBondContact O-N 2.83Å
125S97.4Very high94.5Very high1 Ų151.4 Ų51.41%0.00725%0.25CS..Hα-helixtrans-50.3-39.8178.6-62.40000113.2A119 A120 W128 Y129A119-S125 PolarHBondContact O-N 3.4Å; A120-S125 WeakPolarHBondContact CA-OG 3.3Å; A120-S125 PolarHBondContact N-OG 3.18Å; A120-S125 VanDerWaalsContact N-OG 3.15Å; S125-W128 WeakPolarHBondContact O-CB 3.15Å; S125-W128 PolarHBondContact O-N 3.13Å; S125-Y129 WeakPolarHBondContact O-CB 3.33Å; S125-Y129 WeakPolarHBondContact O-CD2 3.35Å; S125-Y129 PolarHBondContact O-N 2.97Å
126N97.5Very high93.8Very high0 Ų046.1 Ų46.10%023%0.23CC..Hα-helixtrans-64.8-42.3-179.672.3-61.4000112.7V124 I130 W149 A152 I153 Q156 F207 T209V124-N126 PolarHBondContact O-N 2.97Å; V124-N126 VanDerWaalsContact O-N 3.16Å; N126-I130 WeakPolarHBondContact O-CD1 3.49Å; N126-I130 VanDerWaalsContact O-CG1 3.24Å; N126-I130 WeakPolarHBondContact O-CG1 3.47Å; N126-I130 PolarHBondContact O-N 3.28Å; N126-I130 VanDerWaalsContact O-N 3.08Å; N126-W149 HydrophobicContact CB-CB 4Å; N126-A152 HydrophobicContact CB-CB 4.44Å; N126-A152 WeakPolarHBondContact OD1-CB 3.32Å; N126-I153 HydrophobicContact CB-CG1 4.28Å; N126-Q156 PolarHBondContact OD1-NE2 3.29Å; N126-F207 HydrophobicContact CB-CB 4.46Å; N126-F207 WeakPolarHBondContact CB-O 3.36Å; N126-F207 PolarHBondContact ND2-O 3.34Å; N126-T209 PolarHBondContact ND2-OG1 3.29Å
127W97.6Very high92.9Very high97 Ų9746.7 Ų46.737%0.36723%0.232SC..Hα-helixtrans-72.3-34.9174.6-67114.2000112.7V124 I130 S131V124-W127 PolarHBondContact O-N 3.35Å; V124-W127 VanDerWaalsContact O-N 3.1Å; W127-I130 HydrophobicContact CD2-CD1 4.47Å; W127-I130 HydrophobicContact CE3-CD1 3.71Å; W127-I130 HydrophobicContact CZ3-CD1 3.87Å; W127-I130 PolarHBondContact O-N 3.29Å; W127-S131 WeakPolarHBondContact O-CB 3.49Å; W127-S131 PolarHBondContact O-N 3.47Å
128W97Very high91.8Very high63 Ų6349.2 Ų49.224%0.23925%0.246CC..Hα-helixtrans-58.4-51.1172.3173.2-111.6000110.8R115 D116 A119 V124 S125 I130 S131 Q132R115-W128 HydrophobicContact CB-CH2 4.14Å; R115-W128 HydrophobicContact CB-CZ2 3.48Å; R115-W128 VanDerWaalsContact CB-CZ2 3.48Å; R115-W128 HydrophobicContact CG-CH2 4.32Å; R115-W128 HydrophobicContact CG-CZ2 4.06Å; D116-W128 PolarHBondContact OD1-NE1 3.15Å; A119-W128 HydrophobicContact CB-CB 3.61Å; A119-W128 HydrophobicContact CB-CD2 4.5Å; A119-W128 HydrophobicContact CB-CG 3.71Å; V124-W128 PolarHBondContact O-N 2.83Å; S125-W128 WeakPolarHBondContact O-CB 3.15Å; S125-W128 PolarHBondContact O-N 3.13Å; W128-I130 PolarHBondContact O-N 3.1Å; W128-S131 PolarHBondContact O-N 2.85Å; W128-S131 VanDerWaalsContact O-N 3.09Å; W128-S131 PolarHBondContact O-OG 2.99Å; W128-Q132 HydrophobicContact CD2-CG 4.03Å; W128-Q132 HydrophobicContact CE3-CG 4.28Å; W128-Q132 HydrophobicContact CH2-CG 3.89Å; W128-Q132 HydrophobicContact CZ2-CG 3.6Å; W128-Q132 HydrophobicContact CZ3-CG 4.23Å; W128-Q132 WeakPolarHBondContact O-CG 3.32Å; W128-Q132 PolarHBondContact O-N 3.43Å
129Y94.7Very high90.3Very high0 Ų049.5 Ų49.50%025%0.246CC..Hα-helixtrans-63.8-38.2178.7-63.8-36.1000113.3D116 S125 Q132 N133 V134 L145 K146 W149 F207D116-Y129 WeakPolarHBondContact OD2-CE1 3.41Å; D116-Y129 PolarHBondContact OD2-OH 3.06Å; S125-Y129 WeakPolarHBondContact O-CB 3.33Å; S125-Y129 WeakPolarHBondContact O-CD2 3.35Å; S125-Y129 PolarHBondContact O-N 2.97Å; Y129-Q132 PolarHBondContact O-N 2.96Å; Y129-N133 PolarHBondContact O-N 3.27Å; Y129-N133 VanDerWaalsContact O-N 3.16Å; Y129-V134 HydrophobicContact CD1-CB 4.23Å; Y129-V134 HydrophobicContact CD1-CG1 4.39Å; Y129-V134 HydrophobicContact CD1-CG2 3.91Å; Y129-V134 HydrophobicContact CG-CB 4.42Å; Y129-V134 PolarHBondContact O-N 2.85Å; Y129-L145 PolarHBondContact OH-O 3.41Å; Y129-K146 HydrophobicContact CE2-CG 4.41Å; Y129-K146 WeakPolarHBondContact CE2-O 3Å; Y129-K146 WeakPolarHBondContact OH-CA 3.36Å; Y129-K146 PolarHBondContact OH-N 3.06Å; Y129-W149 HydrophobicContact CD2-CB 4.07Å; Y129-W149 HydrophobicContact CE2-CB 4.34Å; Y129-F207 HydrophobicContact CD2-CE1 4.04Å; Y129-F207 HydrophobicContact CD2-CZ 4.14Å; Y129-F207 HydrophobicContact CG-CZ 4.31Å
130I94Very high88.9Confident27 Ų2750.1 Ų50.114%0.13825%0.248CC..Hα-helixtrans-58.5-48.3169.9-72166.2000111.1N126 W127 W128 Q132 N133 R204 F207N126-I130 WeakPolarHBondContact O-CD1 3.49Å; N126-I130 VanDerWaalsContact O-CG1 3.24Å; N126-I130 WeakPolarHBondContact O-CG1 3.47Å; N126-I130 PolarHBondContact O-N 3.28Å; N126-I130 VanDerWaalsContact O-N 3.08Å; W127-I130 HydrophobicContact CD2-CD1 4.47Å; W127-I130 HydrophobicContact CE3-CD1 3.71Å; W127-I130 HydrophobicContact CZ3-CD1 3.87Å; W127-I130 PolarHBondContact O-N 3.29Å; W128-I130 PolarHBondContact O-N 3.1Å; I130-Q132 PolarHBondContact O-N 3.48Å; I130-N133 PolarHBondContact O-N 3.27Å; I130-N133 VanDerWaalsContact O-N 3.13Å; I130-R204 VanDerWaalsContact CG2-CD 3.4Å; I130-F207 HydrophobicContact CD1-CB 3.83Å; I130-F207 HydrophobicContact CG1-CB 3.7Å; I130-F207 HydrophobicContact CG1-CD2 4.48Å
131S94.2Very high87.8Confident68 Ų6851.3 Ų51.348%0.47626%0.257SS..Hα-helixtrans-65-28.9-177.577.40000113.5W127 W128W127-S131 WeakPolarHBondContact O-CB 3.49Å; W127-S131 PolarHBondContact O-N 3.47Å; W128-S131 PolarHBondContact O-N 2.85Å; W128-S131 VanDerWaalsContact O-N 3.09Å; W128-S131 PolarHBondContact O-OG 2.99Å
132Q89.1Confident87.4Confident93 Ų9349.6 Ų49.644%0.43525%0.248SC..THydrogen-bonded Turntrans-91.21179.3-62.3-52.5-73.500112.6W128 Y129 I130 V134W128-Q132 HydrophobicContact CD2-CG 4.03Å; W128-Q132 HydrophobicContact CE3-CG 4.28Å; W128-Q132 HydrophobicContact CH2-CG 3.89Å; W128-Q132 HydrophobicContact CZ2-CG 3.6Å; W128-Q132 HydrophobicContact CZ3-CG 4.23Å; W128-Q132 WeakPolarHBondContact O-CG 3.32Å; W128-Q132 PolarHBondContact O-N 3.43Å; Y129-Q132 PolarHBondContact O-N 2.96Å; I130-Q132 PolarHBondContact O-N 3.48Å; Q132-V134 HydrophobicContact CB-CG2 3.92Å; Q132-V134 PolarHBondContact O-N 3.42Å
133N86.8Confident87.1Confident130 Ų13043.3 Ų43.370%0.69522%0.221SC*.THydrogen-bonded Turntrans50.541.6-172.6-54.6-61.5000112.4Y129 I130 D135Y129-N133 PolarHBondContact O-N 3.27Å; Y129-N133 VanDerWaalsContact O-N 3.16Å; I130-N133 PolarHBondContact O-N 3.27Å; I130-N133 VanDerWaalsContact O-N 3.13Å; N133-D135 PolarHBondContact O-N 2.88Å
134V85.6Confident87.1Confident23 Ų2342 Ų4214%0.13922%0.216CC..  trans-68.8129.4177.4170.40000108.9Y129 Q132 Y136 K146 F207Y129-V134 HydrophobicContact CD1-CB 4.23Å; Y129-V134 HydrophobicContact CD1-CG1 4.39Å; Y129-V134 HydrophobicContact CD1-CG2 3.91Å; Y129-V134 HydrophobicContact CG-CB 4.42Å; Y129-V134 PolarHBondContact O-N 2.85Å; Q132-V134 HydrophobicContact CB-CG2 3.92Å; Q132-V134 PolarHBondContact O-N 3.42Å; V134-Y136 PolarHBondContact O-N 3.08Å; V134-K146 HydrophobicContact CG1-CD 4.03Å; V134-F207 WeakPolarHBondContact O-CE2 3.42Å
135D83.2Confident87Confident78 Ų7839 Ų3942%0.41720%0.198SC..  trans-80112.4171.6-176.73.9000109.9N133 F137 N138 K146 S203N133-D135 PolarHBondContact O-N 2.88Å; D135-F137 VanDerWaalsContact C-N 3.28Å; D135-F137 PolarHBondContact O-N 3.43Å; D135-F137 PolarHBondContact OD1-N 3.24Å; D135-N138 HydrophobicContact CB-CB 3.79Å; D135-N138 PolarHBondContact O-N 2.82Å; D135-K146 PolarHBondContact O-NZ 3.12Å; D135-S203 PolarHBondContact OD1-OG 3.39Å
136Y80.7Confident86.9Confident9 Ų939 Ų394%0.03520%0.198CC..THydrogen-bonded Turntrans-61-40.9177.6179.8-102.5000111.6V134 N138 K146 W149 S203 Y206 F207V134-Y136 PolarHBondContact O-N 3.08Å; Y136-N138 VanDerWaalsContact C-N 3.27Å; Y136-N138 PolarHBondContact O-N 3.47Å; Y136-K146 HydrophobicContact CD2-CD 4.34Å; Y136-K146 HydrophobicContact CD2-CG 4.29Å; Y136-K146 PolarHBondContact O-NZ 2.91Å; Y136-W149 AromaticContact CD2-NE1 3.79Å; Y136-W149 AromaticContact CE2-CD1 3.64Å; Y136-W149 AromaticContact CE2-NE1 3.08Å; Y136-W149 AromaticContact CZ-NE1 3.73Å; Y136-S203 PolarHBondContact N-OG 3.37Å; Y136-Y206 AromaticContact CD1-CD1 3.59Å; Y136-Y206 HydrophobicContact CD1-CD1 3.59Å; Y136-Y206 AromaticContact CD1-CE1 3.54Å; Y136-Y206 HydrophobicContact CD1-CE1 3.54Å; Y136-Y206 HydrophobicContact CD2-CD1 4.31Å; Y136-Y206 HydrophobicContact CD2-CE1 4.32Å; Y136-Y206 AromaticContact CE1-CD1 3.81Å; Y136-Y206 HydrophobicContact CE1-CD1 3.81Å; Y136-Y206 AromaticContact CE1-CE1 3.22Å; Y136-Y206 HydrophobicContact CE1-CE1 3.22Å; Y136-Y206 AromaticContact CE1-CZ 3.97Å; Y136-Y206 HydrophobicContact CE2-CD1 4.5Å; Y136-Y206 HydrophobicContact CE2-CE1 4.06Å; Y136-Y206 AromaticContact CG-CD1 3.85Å; Y136-Y206 HydrophobicContact CG-CD1 3.85Å; Y136-Y206 HydrophobicContact CG-CE1 4.07Å; Y136-Y206 AromaticContact CZ-CE1 3.49Å; Y136-Y206 VanDerWaalsContact CZ-CE1 3.49Å; Y136-F207 HydrophobicContact CD2-CD1 4.48Å; Y136-F207 AromaticContact CD2-CE1 3.46Å; Y136-F207 HydrophobicContact CD2-CE1 3.46Å; Y136-F207 VanDerWaalsContact CD2-CE1 3.46Å; Y136-F207 AromaticContact CD2-CZ 3.53Å; Y136-F207 HydrophobicContact CD2-CZ 3.53Å; Y136-F207 HydrophobicContact CE2-CE1 4.31Å; Y136-F207 HydrophobicContact CG-CE1 4.12Å; Y136-F207 AromaticContact CG-CZ 3.93Å; Y136-F207 HydrophobicContact CG-CZ 3.93Å
137F78Confident86.8Confident18 Ų1839 Ų398%0.07920%0.198CC..THydrogen-bonded Turntrans-84.7-4.1-172.7-54.9-71.7000112.6D135 Q139 N202 Y206 D263 Y269D135-F137 VanDerWaalsContact C-N 3.28Å; D135-F137 PolarHBondContact O-N 3.43Å; D135-F137 PolarHBondContact OD1-N 3.24Å; F137-Q139 PolarHBondContact O-N 3Å; F137-N202 HydrophobicContact CD2-CB 4.38Å; F137-N202 HydrophobicContact CE2-CB 3.84Å; F137-Y206 HydrophobicContact CZ-CD1 4.23Å; F137-Y206 HydrophobicContact CZ-CD2 4.22Å; F137-Y206 HydrophobicContact CZ-CG 4.02Å; F137-D263 HydrophobicContact CD1-CB 3.48Å; F137-D263 VanDerWaalsContact CD1-CB 3.48Å; F137-D263 VanDerWaalsContact CD1-CG 3.49Å; F137-D263 WeakPolarHBondContact CD1-OD2 3.11Å; F137-D263 HydrophobicContact CE1-CB 3.39Å; F137-D263 HydrophobicContact CG-CB 4.44Å; F137-D263 HydrophobicContact CZ-CB 4.31Å; F137-Y269 VanDerWaalsContact CE2-OH 3.31Å; F137-Y269 WeakPolarHBondContact CE2-OH 3.42Å; F137-Y269 WeakPolarHBondContact CZ-OH 3.27Å
138N73.9Confident86.8Confident54 Ų5434.6 Ų34.629%0.28918%0.181SC..  trans-72.5106168.1-176.90.4000110.7D135 Y136 F140 K146D135-N138 HydrophobicContact CB-CB 3.79Å; D135-N138 PolarHBondContact O-N 2.82Å; Y136-N138 VanDerWaalsContact C-N 3.27Å; Y136-N138 PolarHBondContact O-N 3.47Å; N138-F140 WeakPolarHBondContact OD1-CD2 3.47Å; N138-F140 PolarHBondContact OD1-N 3.41Å; N138-K146 PolarHBondContact O-NZ 3.33Å
139Q66.1Low86.8Confident77 Ų7731.6 Ų31.636%0.3617%0.17SC..  trans-84.6-7.2-180-63.3-179.4-5.200113.9F137F137-Q139 PolarHBondContact O-N 3Å
140F66.3Low86.9Confident19 Ų1932 Ų328%0.08317%0.173CC..SBendtrans-90.5-19.7-173.4-50.7-70.5000113.2N138 Q330 P535 D575 I577N138-F140 WeakPolarHBondContact OD1-CD2 3.47Å; N138-F140 PolarHBondContact OD1-N 3.41Å; F140-Q330 HydrophobicContact CD1-CB 3.99Å; F140-Q330 HydrophobicContact CD1-CG 3.84Å; F140-Q330 HydrophobicContact CE1-CB 3.73Å; F140-Q330 HydrophobicContact CE1-CG 3.95Å; F140-P535 HydrophobicContact CD1-CG 4.19Å; F140-P535 HydrophobicContact CE1-CB 3.9Å; F140-P535 HydrophobicContact CE1-CG 3.32Å; F140-P535 HydrophobicContact CZ-CB 4.22Å; F140-P535 HydrophobicContact CZ-CG 3.87Å; F140-P535 WeakPolarHBondContact CZ-O 3.36Å; F140-D575 HydrophobicContact CB-CB 4.1Å; F140-D575 HydrophobicContact CD1-CB 4.35Å; F140-D575 WeakPolarHBondContact CD1-O 3.31Å; F140-D575 HydrophobicContact CG-CB 4.49Å; F140-I577 HydrophobicContact CD2-CD1 4.43Å; F140-I577 HydrophobicContact CG-CD1 4.39Å
141A75.9Confident87Confident27 Ų2731 Ų3122%0.22317%0.168CC..SBendtrans-74.3130.5177.900000110.4E143A141-E143 VanDerWaalsContact C-N 3.29Å; A141-E143 VanDerWaalsContact CB-CD 3.49Å; A141-E143 HydrophobicContact CB-CG 3.69Å; A141-E143 PolarHBondContact O-N 2.7Å
142I86.5Confident87.2Confident19 Ų1927.7 Ų27.710%0.09715%0.145CC..  trans-79.682.1177.7-51.9172.4000108.6L109 P144 V322 Y574L109-I142 HydrophobicContact CD1-CB 3.67Å; L109-I142 HydrophobicContact CD1-CD1 4.29Å; L109-I142 HydrophobicContact CD1-CG2 3.38Å; I142-P144 VanDerWaalsContact C-CD 3.49Å; I142-P144 WeakPolarHBondContact O-CD 3.46Å; I142-V322 HydrophobicContact CB-CG1 4.34Å; I142-V322 HydrophobicContact CG2-CG1 3.68Å; I142-Y574 HydrophobicContact CD1-CD2 4.48Å; I142-Y574 HydrophobicContact CD1-CE2 3.99Å; I142-Y574 HydrophobicContact CG1-CE2 4.11Å
143E91.2Very high87.6Confident16 Ų1623.3 Ų23.38%0.07512%0.124CC..  trans-123.164-172.8-61.4178.1144.900111.5Q112 A141 L145 K146 Y318Q112-E143 PolarHBondContact NE2-OE1 2.92Å; A141-E143 VanDerWaalsContact C-N 3.29Å; A141-E143 VanDerWaalsContact CB-CD 3.49Å; A141-E143 HydrophobicContact CB-CG 3.69Å; A141-E143 PolarHBondContact O-N 2.7Å; E143-L145 PolarHBondContact O-N 3.01Å; E143-K146 HydrophobicContact CB-CB 3.91Å; E143-K146 HydrophobicContact CB-CD 4.47Å; E143-K146 WeakPolarHBondContact O-CB 3.15Å; E143-K146 PolarHBondContact O-N 3.36Å; E143-K146 VanDerWaalsContact OE2-CD 3.24Å; E143-K146 WeakPolarHBondContact OE2-CD 3.44Å; E143-K146 VanDerWaalsContact OE2-CE 3.28Å; E143-K146 WeakPolarHBondContact OE2-CE 3.37Å; E143-K146 IonicContact OE2-NZ 2.77Å; E143-K146 PolarHBondContact OE2-NZ 3.21Å; E143-Y318 VanDerWaalsContact O-CE1 3.31Å; E143-Y318 WeakPolarHBondContact O-CE1 3.17Å
144P94.9Very high88.1Confident1 Ų118.2 Ų18.21%0.00610%0.096CC..THydrogen-bonded Turntrans-61.1-20.6-166.625-36000114.4V98 M113 I142 H147 Y318 P319 V322 F323V98-P144 HydrophobicContact CG1-CB 4.3Å; V98-P144 HydrophobicContact CG1-CG 3.93Å; M113-P144 HydrophobicContact CE-CG 3.1Å; M113-P144 HydrophobicContact SD-CG 3.87Å; I142-P144 VanDerWaalsContact C-CD 3.49Å; I142-P144 WeakPolarHBondContact O-CD 3.46Å; P144-H147 PolarHBondContact O-ND1 3.04Å; P144-Y318 WeakPolarHBondContact O-CD1 3.41Å; P144-P319 HydrophobicContact CB-CB 3.89Å; P144-P319 HydrophobicContact CB-CG 4.46Å; P144-P319 VanDerWaalsContact O-CG 3.29Å; P144-P319 WeakPolarHBondContact O-CG 3.42Å; P144-V322 HydrophobicContact CB-CB 4.33Å; P144-V322 HydrophobicContact CB-CG1 4.15Å; P144-F323 HydrophobicContact CB-CD2 4.4Å; P144-F323 HydrophobicContact CB-CE1 4.37Å; P144-F323 HydrophobicContact CB-CE2 3.96Å; P144-F323 HydrophobicContact CB-CZ 3.96Å; P144-F323 HydrophobicContact CG-CE1 3.9Å; P144-F323 HydrophobicContact CG-CE2 4.08Å; P144-F323 HydrophobicContact CG-CZ 3.57Å
145L96.9Very high88.6Confident0 Ų017.9 Ų17.90%09%0.093CC..THydrogen-bonded Turntrans-92.3-2.2176.2-60.3-178000113.8I95 V98 M113 D116 A117 Y129 E143 H147 L148I95-L145 HydrophobicContact CG1-CD2 4.44Å; V98-L145 HydrophobicContact CB-CD2 4.14Å; V98-L145 HydrophobicContact CG1-CD1 4.47Å; V98-L145 HydrophobicContact CG1-CD2 3.92Å; V98-L145 HydrophobicContact CG1-CG 4.06Å; V98-L145 HydrophobicContact CG2-CD2 4.06Å; M113-L145 HydrophobicContact SD-CD1 3.84Å; M113-L145 HydrophobicContact SD-CG 3.96Å; D116-L145 HydrophobicContact CB-CB 4.3Å; D116-L145 HydrophobicContact CB-CD1 4.27Å; A117-L145 HydrophobicContact CB-CD1 4Å; Y129-L145 PolarHBondContact OH-O 3.41Å; E143-L145 PolarHBondContact O-N 3.01Å; L145-H147 VanDerWaalsContact C-N 3.34Å; L145-H147 PolarHBondContact O-N 2.73Å; L145-L148 HydrophobicContact CB-CD1 4.27Å; L145-L148 HydrophobicContact CD2-CD1 3.95Å; L145-L148 VanDerWaalsContact O-CB 3.29Å; L145-L148 WeakPolarHBondContact O-CB 3.37Å; L145-L148 WeakPolarHBondContact O-CG 3.21Å; L145-L148 PolarHBondContact O-N 3.33Å
146K94.9Very high89.3Confident0 Ų015.7 Ų15.70%08%0.081CC..THydrogen-bonded Turntrans-52.6-47.4-173.8179159.364.8-173.10113.3Y129 V134 D135 Y136 N138 E143 L148 W149 F207 Y318Y129-K146 HydrophobicContact CE2-CG 4.41Å; Y129-K146 WeakPolarHBondContact CE2-O 3Å; Y129-K146 WeakPolarHBondContact OH-CA 3.36Å; Y129-K146 PolarHBondContact OH-N 3.06Å; V134-K146 HydrophobicContact CG1-CD 4.03Å; D135-K146 PolarHBondContact O-NZ 3.12Å; Y136-K146 HydrophobicContact CD2-CD 4.34Å; Y136-K146 HydrophobicContact CD2-CG 4.29Å; Y136-K146 PolarHBondContact O-NZ 2.91Å; N138-K146 PolarHBondContact O-NZ 3.33Å; E143-K146 HydrophobicContact CB-CB 3.91Å; E143-K146 HydrophobicContact CB-CD 4.47Å; E143-K146 WeakPolarHBondContact O-CB 3.15Å; E143-K146 PolarHBondContact O-N 3.36Å; E143-K146 VanDerWaalsContact OE2-CD 3.24Å; E143-K146 WeakPolarHBondContact OE2-CD 3.44Å; E143-K146 VanDerWaalsContact OE2-CE 3.28Å; E143-K146 WeakPolarHBondContact OE2-CE 3.37Å; E143-K146 IonicContact OE2-NZ 2.77Å; E143-K146 PolarHBondContact OE2-NZ 3.21Å; K146-L148 PolarHBondContact O-N 2.57Å; K146-W149 PolarHBondContact O-N 2.86Å; K146-F207 HydrophobicContact CD-CZ 4.48Å; K146-F207 HydrophobicContact CG-CZ 4.45Å; K146-Y318 HydrophobicContact CB-CE1 3.89Å; K146-Y318 WeakPolarHBondContact CE-OH 3.48Å
147H95.5Very high90.1Very high0 Ų015.9 Ų15.90%08%0.082CC..THydrogen-bonded Turntrans-56.8-18.6-179.674.5-63000114.7P144 L145 W149 S150 Y314 L315 Y318P144-H147 PolarHBondContact O-ND1 3.04Å; L145-H147 VanDerWaalsContact C-N 3.34Å; L145-H147 PolarHBondContact O-N 2.73Å; H147-W149 PolarHBondContact O-N 3.15Å; H147-W149 VanDerWaalsContact O-N 3.11Å; H147-S150 PolarHBondContact O-N 3.43Å; H147-S150 PolarHBondContact O-OG 2.84Å; H147-Y314 AromaticContact CD2-CE1 3.68Å; H147-Y314 PolarHBondContact CD2-O 3.4Å; H147-Y314 VanDerWaalsContact CD2-O 3.24Å; H147-Y314 PolarHBondContact NE2-O 3.02Å; H147-Y314 PolarHBondContact O-OH 2.95Å; H147-L315 PolarHBondContact NE2-O 3.45Å; H147-Y318 HydrophobicContact CB-CD1 3.98Å; H147-Y318 HydrophobicContact CB-CD2 4.21Å; H147-Y318 HydrophobicContact CB-CG 3.77Å; H147-Y318 AromaticContact CG-CD1 3.98Å; H147-Y318 AromaticContact CG-CG 3.83Å; H147-Y318 AromaticContact ND1-CD1 3.57Å; H147-Y318 AromaticContact ND1-CG 3.81Å
148L97.4Very high90.9Very high4 Ų415.3 Ų15.32%0.0218%0.079CC..Hα-helixtrans-68.5-7.4178.8-59.7-176.2000113.9V91 L94 A120 L145 K146 S150 L151 A152 L315V91-L148 HydrophobicContact CG2-CD1 4.07Å; V91-L148 HydrophobicContact CG2-CD2 4.32Å; L94-L148 HydrophobicContact CD2-CD1 4.37Å; L94-L148 HydrophobicContact CD2-CD2 4.2Å; A120-L148 HydrophobicContact CB-CD1 3.68Å; L145-L148 HydrophobicContact CB-CD1 4.27Å; L145-L148 HydrophobicContact CD2-CD1 3.95Å; L145-L148 VanDerWaalsContact O-CB 3.29Å; L145-L148 WeakPolarHBondContact O-CB 3.37Å; L145-L148 WeakPolarHBondContact O-CG 3.21Å; L145-L148 PolarHBondContact O-N 3.33Å; K146-L148 PolarHBondContact O-N 2.57Å; L148-S150 PolarHBondContact O-N 2.93Å; L148-L151 HydrophobicContact CD2-CD2 4.47Å; L148-L151 PolarHBondContact O-N 3.1Å; L148-A152 PolarHBondContact O-N 3.47Å; L148-L315 HydrophobicContact CD2-CD2 3.67Å
149W97Very high92Very high0 Ų017.7 Ų17.70%09%0.091CC..Hα-helixtrans-52.9-40.9171.177.9-93.2000112.6V49 F53 N126 Y129 Y136 K146 H147 L151 A152 I153 Y206 F207V49-W149 HydrophobicContact CG1-CH2 4.19Å; V49-W149 HydrophobicContact CG1-CZ2 4.14Å; F53-W149 HydrophobicContact CE2-CH2 4.39Å; F53-W149 HydrophobicContact CE2-CZ3 4.47Å; F53-W149 HydrophobicContact CZ-CH2 4.35Å; F53-W149 HydrophobicContact CZ-CZ3 4.27Å; N126-W149 HydrophobicContact CB-CB 4Å; Y129-W149 HydrophobicContact CD2-CB 4.07Å; Y129-W149 HydrophobicContact CE2-CB 4.34Å; Y136-W149 AromaticContact CD2-NE1 3.79Å; Y136-W149 AromaticContact CE2-CD1 3.64Å; Y136-W149 AromaticContact CE2-NE1 3.08Å; Y136-W149 AromaticContact CZ-NE1 3.73Å; K146-W149 PolarHBondContact O-N 2.86Å; H147-W149 PolarHBondContact O-N 3.15Å; H147-W149 VanDerWaalsContact O-N 3.11Å; W149-L151 VanDerWaalsContact C-N 3.35Å; W149-A152 WeakPolarHBondContact O-CB 3.21Å; W149-A152 PolarHBondContact O-N 2.87Å; W149-I153 HydrophobicContact CE3-CD1 3.69Å; W149-I153 HydrophobicContact CE3-CG1 4.36Å; W149-I153 HydrophobicContact CZ3-CD1 3.46Å; W149-I153 VanDerWaalsContact CZ3-CD1 3.46Å; W149-I153 PolarHBondContact O-N 3.42Å; W149-Y206 AromaticContact CE2-CE1 3.81Å; W149-Y206 AromaticContact CH2-CD1 3.84Å; W149-Y206 HydrophobicContact CH2-CD1 3.84Å; W149-Y206 AromaticContact CH2-CE1 3.55Å; W149-Y206 HydrophobicContact CH2-CE1 3.55Å; W149-Y206 HydrophobicContact CH2-CG 4.46Å; W149-Y206 AromaticContact CH2-CZ 3.94Å; W149-Y206 WeakPolarHBondContact CH2-O 3.45Å; W149-Y206 AromaticContact CZ2-CD1 3.68Å; W149-Y206 HydrophobicContact CZ2-CD1 3.68Å; W149-Y206 AromaticContact CZ2-CE1 3.08Å; W149-Y206 HydrophobicContact CZ2-CE1 3.08Å; W149-Y206 AromaticContact CZ2-CZ 3.67Å; W149-Y206 WeakPolarHBondContact CZ3-O 3.35Å; W149-F207 HydrophobicContact CB-CD1 3.54Å; W149-F207 HydrophobicContact CB-CE1 3.62Å; W149-F207 AromaticContact CD1-CD1 3.99Å; W149-F207 AromaticContact CD1-CE1 3.54Å; W149-F207 AromaticContact CD2-CD1 3.53Å; W149-F207 HydrophobicContact CD2-CD1 3.53Å; W149-F207 AromaticContact CD2-CE1 3.89Å; W149-F207 HydrophobicContact CD2-CE1 3.89Å; W149-F207 AromaticContact CE3-CD1 3.82Å; W149-F207 HydrophobicContact CE3-CD1 3.82Å; W149-F207 AromaticContact CG-CD1 3.39Å; W149-F207 HydrophobicContact CG-CD1 3.39Å; W149-F207 AromaticContact CG-CE1 3.38Å; W149-F207 HydrophobicContact CG-CE1 3.38Å
150S97.1Very high93.5Very high9 Ų918.9 Ų18.96%0.06310%0.1CC..Hα-helixtrans-70.8-37.6-175.872.60000110.5H147 L148 A152 I153 E154 Y314H147-S150 PolarHBondContact O-N 3.43Å; H147-S150 PolarHBondContact O-OG 2.84Å; L148-S150 PolarHBondContact O-N 2.93Å; S150-A152 VanDerWaalsContact C-N 3.33Å; S150-I153 WeakPolarHBondContact O-CB 3.34Å; S150-I153 PolarHBondContact O-N 3.15Å; S150-E154 PolarHBondContact O-N 2.96Å; S150-E154 VanDerWaalsContact O-N 3.08Å; S150-Y314 VanDerWaalsContact OG-CZ 3.28Å; S150-Y314 PolarHBondContact OG-OH 2.85Å
151L96.6Very high95Very high5 Ų518.5 Ų18.53%0.02610%0.098CC..Hα-helixtrans-67.4-35.7175.5-174.261.6000111V91 Y123 L148 W149 I153 E154 E155 Y311 L315V91-L151 HydrophobicContact CG2-CD2 4.28Å; Y123-L151 HydrophobicContact CD1-CG 4.29Å; Y123-L151 HydrophobicContact CE1-CD2 3.74Å; Y123-L151 HydrophobicContact CE1-CG 3.7Å; L148-L151 HydrophobicContact CD2-CD2 4.47Å; L148-L151 PolarHBondContact O-N 3.1Å; W149-L151 VanDerWaalsContact C-N 3.35Å; L151-I153 VanDerWaalsContact C-N 3.33Å; L151-I153 PolarHBondContact O-N 3.35Å; L151-E154 PolarHBondContact O-N 3.49Å; L151-E155 HydrophobicContact CD1-CG 4.37Å; L151-E155 HydrophobicContact CG-CG 4.4Å; L151-E155 WeakPolarHBondContact O-CG 3.47Å; L151-E155 PolarHBondContact O-N 3.31Å; L151-Y311 HydrophobicContact CD1-CE2 3.89Å; L151-Y311 HydrophobicContact CD2-CE2 3.92Å; L151-L315 HydrophobicContact CD2-CD2 4.14Å
152A97.6Very high96Very high0 Ų017.2 Ų17.20%09%0.087CC..Hα-helixtrans-57.8-45.2172.100000111.8Y123 N126 L148 W149 S150 E155 Q156Y123-A152 WeakPolarHBondContact O-CB 3.36Å; N126-A152 HydrophobicContact CB-CB 4.44Å; N126-A152 WeakPolarHBondContact OD1-CB 3.32Å; L148-A152 PolarHBondContact O-N 3.47Å; W149-A152 WeakPolarHBondContact O-CB 3.21Å; W149-A152 PolarHBondContact O-N 2.87Å; S150-A152 VanDerWaalsContact C-N 3.33Å; A152-E155 PolarHBondContact O-N 3.23Å; A152-Q156 WeakPolarHBondContact O-CB 3.32Å; A152-Q156 WeakPolarHBondContact O-CG 3.34Å; A152-Q156 PolarHBondContact O-N 3.4Å; A152-Q156 PolarHBondContact O-NE2 2.84Å
153I97.7Very high96.6Very high0 Ų020.1 Ų20.10%010%0.103CC..Hα-helixtrans-60.2-47.3174.5-62.6-176.1000111.1F53 N126 W149 S150 L151 E155 Q156 F157 T209 R212 L216F53-I153 HydrophobicContact CE1-CG2 4.49Å; F53-I153 HydrophobicContact CZ-CB 4.16Å; F53-I153 HydrophobicContact CZ-CD1 4.2Å; F53-I153 HydrophobicContact CZ-CG2 4.16Å; N126-I153 HydrophobicContact CB-CG1 4.28Å; W149-I153 HydrophobicContact CE3-CD1 3.69Å; W149-I153 HydrophobicContact CE3-CG1 4.36Å; W149-I153 HydrophobicContact CZ3-CD1 3.46Å; W149-I153 VanDerWaalsContact CZ3-CD1 3.46Å; W149-I153 PolarHBondContact O-N 3.42Å; S150-I153 WeakPolarHBondContact O-CB 3.34Å; S150-I153 PolarHBondContact O-N 3.15Å; L151-I153 VanDerWaalsContact C-N 3.33Å; L151-I153 PolarHBondContact O-N 3.35Å; I153-E155 PolarHBondContact O-N 3.19Å; I153-Q156 PolarHBondContact O-N 2.85Å; I153-F157 WeakPolarHBondContact O-CB 3.2Å; I153-F157 PolarHBondContact O-N 3.36Å; I153-T209 HydrophobicContact CG2-CG2 4.35Å; I153-R212 HydrophobicContact CD1-CB 4.13Å; I153-R212 HydrophobicContact CD1-CG 4.3Å; I153-L216 HydrophobicContact CG2-CD1 3.9Å
154E96.7Very high96.8Very high23 Ų2322.8 Ų22.811%0.10712%0.119CC..Hα-helixtrans-61.6-43.5179.4-68.5-152.8139.100112.5F53 S56 S150 L151 F157 Y158F53-E154 HydrophobicContact CD1-CG 3.8Å; F53-E154 HydrophobicContact CE1-CG 3.65Å; S56-E154 WeakPolarHBondContact CB-OE1 3.49Å; S56-E154 PolarHBondContact OG-OE1 2.66Å; S150-E154 PolarHBondContact O-N 2.96Å; S150-E154 VanDerWaalsContact O-N 3.08Å; L151-E154 PolarHBondContact O-N 3.49Å; E154-F157 CarbonylContact O-C 3.46Å; E154-F157 WeakPolarHBondContact O-CB 3.34Å; E154-F157 PolarHBondContact O-N 3.16Å; E154-Y158 HydrophobicContact CB-CD2 4.46Å; E154-Y158 HydrophobicContact CB-CE2 3.64Å; E154-Y158 VanDerWaalsContact CD-OH 3.25Å; E154-Y158 WeakPolarHBondContact O-CD1 3.38Å; E154-Y158 WeakPolarHBondContact O-CD2 3.27Å; E154-Y158 WeakPolarHBondContact O-CE2 3.43Å; E154-Y158 PolarHBondContact O-N 3.25Å; E154-Y158 PolarHBondContact OE1-OH 2.83Å; E154-Y158 PolarHBondContact OE2-OH 3.45Å
155E96.1Very high97Very high17 Ų1722.7 Ų22.78%0.07912%0.119CC..Hα-helixtrans-69.6-37.8179.3-67.5-47.9127.500112.6L87 Y123 L151 A152 I153 F157 Y158 L159L87-E155 WeakPolarHBondContact CD1-OE1 3.26Å; L87-E155 WeakPolarHBondContact CD1-OE2 3.17Å; Y123-E155 HydrophobicContact CD1-CB 3.88Å; Y123-E155 HydrophobicContact CD1-CG 3.49Å; Y123-E155 VanDerWaalsContact CD1-CG 3.49Å; Y123-E155 HydrophobicContact CD2-CB 3.95Å; Y123-E155 HydrophobicContact CD2-CG 3.84Å; Y123-E155 HydrophobicContact CE1-CB 4.31Å; Y123-E155 HydrophobicContact CE1-CG 3.42Å; Y123-E155 VanDerWaalsContact CE1-CG 3.42Å; Y123-E155 HydrophobicContact CE2-CB 4.35Å; Y123-E155 HydrophobicContact CE2-CG 3.75Å; Y123-E155 HydrophobicContact CG-CB 3.67Å; Y123-E155 HydrophobicContact CG-CG 3.69Å; L151-E155 HydrophobicContact CD1-CG 4.37Å; L151-E155 HydrophobicContact CG-CG 4.4Å; L151-E155 WeakPolarHBondContact O-CG 3.47Å; L151-E155 PolarHBondContact O-N 3.31Å; A152-E155 PolarHBondContact O-N 3.23Å; I153-E155 PolarHBondContact O-N 3.19Å; E155-F157 PolarHBondContact O-N 3.38Å; E155-Y158 PolarHBondContact O-N 3.44Å; E155-Y158 VanDerWaalsContact OE1-CD2 3.28Å; E155-Y158 WeakPolarHBondContact OE1-CD2 3.24Å; E155-Y158 VanDerWaalsContact OE1-CE2 3.32Å; E155-Y158 WeakPolarHBondContact OE1-CE2 3.28Å; E155-L159 WeakPolarHBondContact O-CB 3.35Å; E155-L159 PolarHBondContact O-N 2.94Å
156Q97.4Very high97Very high32 Ų3223.9 Ų23.915%0.1513%0.126CC..Hα-helixtrans-57.4-43.2170.3-71.7164.331.900110.5Y123 N126 A152 I153 L159 L160 T209Y123-Q156 PolarHBondContact O-NE2 2.87Å; N126-Q156 PolarHBondContact OD1-NE2 3.29Å; A152-Q156 WeakPolarHBondContact O-CB 3.32Å; A152-Q156 WeakPolarHBondContact O-CG 3.34Å; A152-Q156 PolarHBondContact O-N 3.4Å; A152-Q156 PolarHBondContact O-NE2 2.84Å; I153-Q156 PolarHBondContact O-N 2.85Å; Q156-L159 PolarHBondContact O-N 3.3Å; Q156-L160 PolarHBondContact O-N 3.09Å; Q156-L160 VanDerWaalsContact O-N 3.08Å; Q156-T209 PolarHBondContact OE1-OG1 3.46Å
157F97.6Very high97.1Very high12 Ų1230.2 Ų30.25%0.05315%0.154CC..Hα-helixtrans-63.1-45.8173.6176.8-96.6000111.8I60 I153 E154 E155 L159 L160 F161 L213 L216 C220I60-F157 HydrophobicContact CB-CE1 4.42Å; I60-F157 HydrophobicContact CG2-CE1 4.4Å; I153-F157 WeakPolarHBondContact O-CB 3.2Å; I153-F157 PolarHBondContact O-N 3.36Å; E154-F157 CarbonylContact O-C 3.46Å; E154-F157 WeakPolarHBondContact O-CB 3.34Å; E154-F157 PolarHBondContact O-N 3.16Å; E155-F157 PolarHBondContact O-N 3.38Å; F157-L159 VanDerWaalsContact C-N 3.26Å; F157-L159 PolarHBondContact O-N 2.96Å; F157-L160 PolarHBondContact O-N 2.66Å; F157-F161 HydrophobicContact CD1-CB 4.29Å; F157-F161 HydrophobicContact CD2-CB 3.79Å; F157-F161 HydrophobicContact CD2-CD2 4.25Å; F157-F161 HydrophobicContact CD2-CG 4.12Å; F157-F161 HydrophobicContact CE1-CB 4.06Å; F157-F161 AromaticContact CE1-CD1 3.95Å; F157-F161 HydrophobicContact CE1-CD1 3.95Å; F157-F161 HydrophobicContact CE1-CG 4Å; F157-F161 HydrophobicContact CE2-CB 3.55Å; F157-F161 HydrophobicContact CE2-CD1 4.01Å; F157-F161 AromaticContact CE2-CD2 3.33Å; F157-F161 HydrophobicContact CE2-CD2 3.33Å; F157-F161 AromaticContact CE2-CE2 3.97Å; F157-F161 HydrophobicContact CE2-CE2 3.97Å; F157-F161 AromaticContact CE2-CG 3.34Å; F157-F161 HydrophobicContact CE2-CG 3.34Å; F157-F161 HydrophobicContact CG-CB 4.14Å; F157-F161 HydrophobicContact CZ-CB 3.67Å; F157-F161 AromaticContact CZ-CD1 3.4Å; F157-F161 HydrophobicContact CZ-CD1 3.4Å; F157-F161 VanDerWaalsContact CZ-CD1 3.4Å; F157-F161 AromaticContact CZ-CD2 3.6Å; F157-F161 HydrophobicContact CZ-CD2 3.6Å; F157-F161 AromaticContact CZ-CE1 3.86Å; F157-F161 HydrophobicContact CZ-CE1 3.86Å; F157-F161 HydrophobicContact CZ-CE2 4.03Å; F157-F161 AromaticContact CZ-CG 3.25Å; F157-F161 HydrophobicContact CZ-CG 3.25Å; F157-F161 HydrophobicContact CZ-CZ 4.14Å; F157-F161 WeakPolarHBondContact O-CA 3.32Å; F157-F161 WeakPolarHBondContact O-CB 3.4Å; F157-F161 PolarHBondContact O-N 2.89Å; F157-L213 HydrophobicContact CD2-CD1 4.09Å; F157-L216 HydrophobicContact CB-CD1 4.16Å; F157-L216 HydrophobicContact CD1-CD2 4.01Å; F157-L216 HydrophobicContact CD2-CB 4.35Å; F157-L216 HydrophobicContact CD2-CD1 4.27Å; F157-L216 HydrophobicContact CE1-CD2 4.32Å; F157-L216 HydrophobicContact CE2-CB 4.31Å; F157-L216 HydrophobicContact CG-CD1 4.19Å; F157-L216 HydrophobicContact CG-CD2 4.14Å; F157-C220 VanDerWaalsContact CZ-SG 3.52Å
158Y96.3Very high97.2Very high7 Ų730.9 Ų30.93%0.02716%0.157CC..Hα-helixtrans-67.3-25.4178.1-55-33.1000113.6S56 I60 F79 W80 R83 L87 E154 E155 P162S56-Y158 WeakPolarHBondContact CB-OH 3.47Å; S56-Y158 PolarHBondContact OG-OH 3.48Å; S56-Y158 VanDerWaalsContact OG-OH 3.04Å; I60-Y158 HydrophobicContact CD1-CD1 4.22Å; I60-Y158 HydrophobicContact CD1-CE1 4.09Å; I60-Y158 HydrophobicContact CG1-CD1 3.72Å; I60-Y158 HydrophobicContact CG1-CE1 3.44Å; I60-Y158 VanDerWaalsContact CG1-CE1 3.44Å; F79-Y158 WeakPolarHBondContact CE1-O 3.3Å; W80-Y158 PolarHBondContact NE1-O 3.38Å; R83-Y158 VanDerWaalsContact NH2-CZ 3.29Å; L87-Y158 HydrophobicContact CD1-CD2 4.35Å; L87-Y158 HydrophobicContact CD1-CE2 4.47Å; E154-Y158 HydrophobicContact CB-CD2 4.46Å; E154-Y158 HydrophobicContact CB-CE2 3.64Å; E154-Y158 VanDerWaalsContact CD-OH 3.25Å; E154-Y158 WeakPolarHBondContact O-CD1 3.38Å; E154-Y158 WeakPolarHBondContact O-CD2 3.27Å; E154-Y158 WeakPolarHBondContact O-CE2 3.43Å; E154-Y158 PolarHBondContact O-N 3.25Å; E154-Y158 PolarHBondContact OE1-OH 2.83Å; E154-Y158 PolarHBondContact OE2-OH 3.45Å; E155-Y158 PolarHBondContact O-N 3.44Å; E155-Y158 VanDerWaalsContact OE1-CD2 3.28Å; E155-Y158 WeakPolarHBondContact OE1-CD2 3.24Å; E155-Y158 VanDerWaalsContact OE1-CE2 3.32Å; E155-Y158 WeakPolarHBondContact OE1-CE2 3.28Å; Y158-P162 WeakPolarHBondContact O-CD 3.3Å; Y158-P162 WeakPolarHBondContact O-CG 3.34Å
159L96.5Very high97.2Very high103 Ų10331.3 Ų31.354%0.53916%0.16SC..Hα-helixtrans-73.1-51.3174.7-177.563000110.8W80 E155 Q156 F157W80-L159 PolarHBondContact NE1-O 2.83Å; E155-L159 WeakPolarHBondContact O-CB 3.35Å; E155-L159 PolarHBondContact O-N 2.94Å; Q156-L159 PolarHBondContact O-N 3.3Å; F157-L159 VanDerWaalsContact C-N 3.26Å; F157-L159 PolarHBondContact O-N 2.96Å
160L97.1Very high97.1Very high103 Ų10336.7 Ų36.754%0.53919%0.185SC..Hα-helixtrans-90.1-39.2-169.9-62.5177.8000114Q156 F157 L163 V164Q156-L160 PolarHBondContact O-N 3.09Å; Q156-L160 VanDerWaalsContact O-N 3.08Å; F157-L160 PolarHBondContact O-N 2.66Å; L160-L163 WeakPolarHBondContact O-CB 3.38Å; L160-L163 PolarHBondContact O-N 3.29Å; L160-L163 VanDerWaalsContact O-N 3.1Å; L160-V164 PolarHBondContact O-N 3.23Å; L160-V164 VanDerWaalsContact O-N 3.16Å
161F97.7Very high97Very high11 Ų1144.2 Ų44.25%0.04821%0.212CC..Hα-helixtrans-61.3-39.2-172.7-175.4-104.3000114.2I60 T61 L64 F157 L163 V164 I165 L181 L217 C220I60-F161 HydrophobicContact CG2-CD1 4.33Å; T61-F161 HydrophobicContact CG2-CE1 4.34Å; T61-F161 HydrophobicContact CG2-CZ 4.28Å; T61-F161 WeakPolarHBondContact OG1-CE1 3.29Å; T61-F161 WeakPolarHBondContact OG1-CZ 3.38Å; L64-F161 HydrophobicContact CD1-CD1 4.17Å; L64-F161 HydrophobicContact CD1-CE1 4.35Å; F157-F161 HydrophobicContact CD1-CB 4.29Å; F157-F161 HydrophobicContact CD2-CB 3.79Å; F157-F161 HydrophobicContact CD2-CD2 4.25Å; F157-F161 HydrophobicContact CD2-CG 4.12Å; F157-F161 HydrophobicContact CE1-CB 4.06Å; F157-F161 AromaticContact CE1-CD1 3.95Å; F157-F161 HydrophobicContact CE1-CD1 3.95Å; F157-F161 HydrophobicContact CE1-CG 4Å; F157-F161 HydrophobicContact CE2-CB 3.55Å; F157-F161 HydrophobicContact CE2-CD1 4.01Å; F157-F161 AromaticContact CE2-CD2 3.33Å; F157-F161 HydrophobicContact CE2-CD2 3.33Å; F157-F161 AromaticContact CE2-CE2 3.97Å; F157-F161 HydrophobicContact CE2-CE2 3.97Å; F157-F161 AromaticContact CE2-CG 3.34Å; F157-F161 HydrophobicContact CE2-CG 3.34Å; F157-F161 HydrophobicContact CG-CB 4.14Å; F157-F161 HydrophobicContact CZ-CB 3.67Å; F157-F161 AromaticContact CZ-CD1 3.4Å; F157-F161 HydrophobicContact CZ-CD1 3.4Å; F157-F161 VanDerWaalsContact CZ-CD1 3.4Å; F157-F161 AromaticContact CZ-CD2 3.6Å; F157-F161 HydrophobicContact CZ-CD2 3.6Å; F157-F161 AromaticContact CZ-CE1 3.86Å; F157-F161 HydrophobicContact CZ-CE1 3.86Å; F157-F161 HydrophobicContact CZ-CE2 4.03Å; F157-F161 AromaticContact CZ-CG 3.25Å; F157-F161 HydrophobicContact CZ-CG 3.25Å; F157-F161 HydrophobicContact CZ-CZ 4.14Å; F157-F161 WeakPolarHBondContact O-CA 3.32Å; F157-F161 WeakPolarHBondContact O-CB 3.4Å; F157-F161 PolarHBondContact O-N 2.89Å; F161-L163 VanDerWaalsContact C-N 3.27Å; F161-L163 PolarHBondContact O-N 3.11Å; F161-V164 PolarHBondContact O-N 3.26Å; F161-I165 HydrophobicContact CD1-CG2 4.45Å; F161-I165 HydrophobicContact CE1-CB 4.09Å; F161-I165 HydrophobicContact CE1-CG1 4.34Å; F161-I165 HydrophobicContact CE1-CG2 4.25Å; F161-I165 HydrophobicContact CZ-CB 4.12Å; F161-I165 HydrophobicContact CZ-CD1 4.16Å; F161-I165 HydrophobicContact CZ-CG1 4.18Å; F161-I165 WeakPolarHBondContact O-CB 3.33Å; F161-I165 WeakPolarHBondContact O-CG2 3.28Å; F161-I165 PolarHBondContact O-N 3.03Å; F161-L181 HydrophobicContact CE2-CD2 4.19Å; F161-L217 HydrophobicContact CE2-CD2 4.49Å; F161-C220 HydrophobicContact CE2-CB 4.47Å; F161-C220 HydrophobicContact CZ-CB 4.03Å
162P97.6Very high97Very high0 Ų047.7 Ų47.70%023%0.227CC..Hα-helixtrans-56-40.1173.5-25.635000113.1L64 L76 F79 Y158 T166L64-P162 HydrophobicContact CD1-CB 4.23Å; L64-P162 HydrophobicContact CD1-CG 4.18Å; L64-P162 HydrophobicContact CD2-CB 4.48Å; L76-P162 HydrophobicContact CD2-CB 3.53Å; F79-P162 HydrophobicContact CD1-CB 4.24Å; F79-P162 HydrophobicContact CD1-CG 3.66Å; F79-P162 HydrophobicContact CE1-CB 4.31Å; F79-P162 HydrophobicContact CE1-CG 3.27Å; F79-P162 HydrophobicContact CG-CG 4.5Å; F79-P162 HydrophobicContact CZ-CG 3.8Å; Y158-P162 WeakPolarHBondContact O-CD 3.3Å; Y158-P162 WeakPolarHBondContact O-CG 3.34Å; P162-T166 VanDerWaalsContact O-CB 3.27Å; P162-T166 WeakPolarHBondContact O-CB 3.5Å; P162-T166 PolarHBondContact O-N 3.28Å; P162-T166 PolarHBondContact O-OG1 3.13Å
163L97.8Very high96.9Very high80 Ų8055.4 Ų55.442%0.41926%0.26SS..Hα-helixtrans-64.4-48.6176.5-61.6175000111.2L76 W80 L160 F161 T166 F167L76-L163 HydrophobicContact CD1-CD2 3.58Å; L76-L163 HydrophobicContact CD2-CD2 4.43Å; W80-L163 HydrophobicContact CH2-CD2 3.88Å; W80-L163 HydrophobicContact CH2-CG 4.34Å; W80-L163 HydrophobicContact CZ2-CD1 4.37Å; W80-L163 HydrophobicContact CZ2-CD2 4Å; W80-L163 HydrophobicContact CZ2-CG 4.01Å; L160-L163 WeakPolarHBondContact O-CB 3.38Å; L160-L163 PolarHBondContact O-N 3.29Å; L160-L163 VanDerWaalsContact O-N 3.1Å; F161-L163 VanDerWaalsContact C-N 3.27Å; F161-L163 PolarHBondContact O-N 3.11Å; L163-T166 PolarHBondContact O-N 3.42Å; L163-F167 PolarHBondContact O-N 3.13Å
164V97.4Very high96.7Very high71 Ų7158.1 Ų58.143%0.4328%0.278SS..Hα-helixtrans-60.2-49.4179.6175.10000110.4L160 F161 F167 L168L160-V164 PolarHBondContact O-N 3.23Å; L160-V164 VanDerWaalsContact O-N 3.16Å; F161-V164 PolarHBondContact O-N 3.26Å; V164-F167 WeakPolarHBondContact O-CB 3.1Å; V164-F167 PolarHBondContact O-N 3.06Å; V164-L168 HydrophobicContact CG1-CD1 3.86Å; V164-L168 HydrophobicContact CG1-CG 4.28Å; V164-L168 VanDerWaalsContact O-CG 3.3Å; V164-L168 WeakPolarHBondContact O-CG 3.42Å; V164-L168 PolarHBondContact O-N 3.2Å
165I97.7Very high96.6Very high0 Ų065.8 Ų65.80%031%0.306CS..Hα-helixtrans-70.9-35.1-176.3-157.358.8000112.1L64 I74 F161 L168 L169 I177 F224L64-I165 HydrophobicContact CB-CG2 4.28Å; L64-I165 HydrophobicContact CD1-CG2 3.74Å; I74-I165 HydrophobicContact CD1-CG2 4.26Å; F161-I165 HydrophobicContact CD1-CG2 4.45Å; F161-I165 HydrophobicContact CE1-CB 4.09Å; F161-I165 HydrophobicContact CE1-CG1 4.34Å; F161-I165 HydrophobicContact CE1-CG2 4.25Å; F161-I165 HydrophobicContact CZ-CB 4.12Å; F161-I165 HydrophobicContact CZ-CD1 4.16Å; F161-I165 HydrophobicContact CZ-CG1 4.18Å; F161-I165 WeakPolarHBondContact O-CB 3.33Å; F161-I165 WeakPolarHBondContact O-CG2 3.28Å; F161-I165 PolarHBondContact O-N 3.03Å; I165-L168 HydrophobicContact CD1-CB 4.45Å; I165-L168 HydrophobicContact CD1-CD1 4.37Å; I165-L168 PolarHBondContact O-N 2.95Å; I165-L169 HydrophobicContact CG1-CD1 4.06Å; I165-L169 HydrophobicContact CG1-CG 4.28Å; I165-L169 VanDerWaalsContact O-CB 3.28Å; I165-L169 WeakPolarHBondContact O-CB 3.47Å; I165-L169 WeakPolarHBondContact O-CD1 3.32Å; I165-L169 WeakPolarHBondContact O-CG 3.46Å; I165-L169 PolarHBondContact O-N 3.46Å; I165-I177 HydrophobicContact CD1-CG2 3.9Å; I165-F224 HydrophobicContact CD1-CE2 3.84Å; I165-F224 HydrophobicContact CD1-CZ 3.75Å; I165-F224 HydrophobicContact CG1-CZ 4.39Å
166T97.2Very high96.7Very high25 Ų2568.1 Ų68.115%0.15332%0.319CS..Hα-helixtrans-57.9-49.4170.2-64.70000110.2I74 P162 L163 L168 L169 H170I74-T166 WeakPolarHBondContact CD1-OG1 3.32Å; P162-T166 VanDerWaalsContact O-CB 3.27Å; P162-T166 WeakPolarHBondContact O-CB 3.5Å; P162-T166 PolarHBondContact O-N 3.28Å; P162-T166 PolarHBondContact O-OG1 3.13Å; L163-T166 PolarHBondContact O-N 3.42Å; T166-L168 PolarHBondContact O-N 2.9Å; T166-L169 PolarHBondContact O-N 3.26Å; T166-H170 PolarHBondContact O-N 2.76Å; T166-H170 PolarHBondContact O-ND1 3.41Å
167F97.1Very high96.7Very high133 Ų13366.7 Ų66.758%0.58331%0.312SS*.Hα-helixtrans-59-48.5177173.7-99.2000112.3L163 V164 L169 H170 R171 F172L163-F167 PolarHBondContact O-N 3.13Å; V164-F167 WeakPolarHBondContact O-CB 3.1Å; V164-F167 PolarHBondContact O-N 3.06Å; F167-L169 PolarHBondContact O-N 2.58Å; F167-H170 PolarHBondContact O-N 3.48Å; F167-R171 PolarHBondContact O-N 3.12Å; F167-R171 VanDerWaalsContact O-N 3.16Å; F167-F172 HydrophobicContact CE1-CE2 4.47Å
168L97.5Very high96.7Very high13 Ų1368.1 Ų68.17%0.06832%0.32CS..Hα-helixtrans-62.3-41.6-178.8-69.4178.3000112.5V164 I165 T166 H170 R171 F172 I177V164-L168 HydrophobicContact CG1-CD1 3.86Å; V164-L168 HydrophobicContact CG1-CG 4.28Å; V164-L168 VanDerWaalsContact O-CG 3.3Å; V164-L168 WeakPolarHBondContact O-CG 3.42Å; V164-L168 PolarHBondContact O-N 3.2Å; I165-L168 HydrophobicContact CD1-CB 4.45Å; I165-L168 HydrophobicContact CD1-CD1 4.37Å; I165-L168 PolarHBondContact O-N 2.95Å; T166-L168 PolarHBondContact O-N 2.9Å; L168-H170 VanDerWaalsContact C-N 3.3Å; L168-H170 PolarHBondContact O-N 2.85Å; L168-R171 PolarHBondContact O-N 3.43Å; L168-F172 HydrophobicContact CD2-CD2 3.64Å; L168-F172 HydrophobicContact CD2-CE2 3.8Å; L168-F172 PolarHBondContact O-N 2.71Å; L168-I177 HydrophobicContact CB-CD1 4.13Å; L168-I177 HydrophobicContact CB-CG1 4.1Å; L168-I177 HydrophobicContact CB-CG2 4.34Å; L168-I177 HydrophobicContact CD1-CG2 4.15Å
169L96.6Very high96.8Very high13 Ų1372 Ų727%0.06834%0.339CS..Hα-helixtrans-65.2-30.1178.8-75.9168.6000113.3Y68 I74 I165 T166 F167 I177 F224Y68-L169 HydrophobicContact CD1-CB 4.08Å; Y68-L169 HydrophobicContact CD1-CD1 3.96Å; Y68-L169 HydrophobicContact CD1-CD2 4.05Å; Y68-L169 HydrophobicContact CD1-CG 4.26Å; Y68-L169 HydrophobicContact CD2-CB 4.4Å; Y68-L169 HydrophobicContact CD2-CD1 4.36Å; Y68-L169 HydrophobicContact CE1-CB 3.83Å; Y68-L169 HydrophobicContact CE1-CD2 4.23Å; Y68-L169 HydrophobicContact CE1-CG 4.43Å; Y68-L169 HydrophobicContact CE2-CB 4.19Å; Y68-L169 HydrophobicContact CG-CB 4.35Å; Y68-L169 HydrophobicContact CG-CD1 3.83Å; Y68-L169 PolarHBondContact OH-O 2.89Å; I74-L169 HydrophobicContact CD1-CD1 3.9Å; I165-L169 HydrophobicContact CG1-CD1 4.06Å; I165-L169 HydrophobicContact CG1-CG 4.28Å; I165-L169 VanDerWaalsContact O-CB 3.28Å; I165-L169 WeakPolarHBondContact O-CB 3.47Å; I165-L169 WeakPolarHBondContact O-CD1 3.32Å; I165-L169 WeakPolarHBondContact O-CG 3.46Å; I165-L169 PolarHBondContact O-N 3.46Å; T166-L169 PolarHBondContact O-N 3.26Å; F167-L169 PolarHBondContact O-N 2.58Å; L169-I177 HydrophobicContact CD2-CD1 3.82Å; L169-I177 HydrophobicContact CG-CD1 4.21Å; L169-F224 HydrophobicContact CD2-CE1 4.09Å; L169-F224 HydrophobicContact CD2-CZ 4.19Å
170H95.6Very high96.9Very high114 Ų11469.7 Ų69.753%0.52833%0.328SS..Hα-helixtrans-80.4-27.2175.4-72.790000112.8Y68 T166 F167 L168Y68-H170 AromaticContact CE2-CE1 3.75Å; Y68-H170 AromaticContact CE2-NE2 3.91Å; T166-H170 PolarHBondContact O-N 2.76Å; T166-H170 PolarHBondContact O-ND1 3.41Å; F167-H170 PolarHBondContact O-N 3.48Å; L168-H170 VanDerWaalsContact C-N 3.3Å; L168-H170 PolarHBondContact O-N 2.85Å
171R95.8Very high96.9Very high166 Ų16665.1 Ų65.163%0.62631%0.305SS*.Hα-helixtrans-102.1-26.2-170.6-169.458.6179.484.5-4.6114.7F167 L168F167-R171 PolarHBondContact O-N 3.12Å; F167-R171 VanDerWaalsContact O-N 3.16Å; L168-R171 PolarHBondContact O-N 3.43Å
172F96.3Very high96.9Very high78 Ų7869.2 Ų69.234%0.34232%0.323SS..SBendtrans-133.4153.6-168.1-60.7-65.7000112.7F167 L168 N176 I177F167-F172 HydrophobicContact CE1-CE2 4.47Å; L168-F172 HydrophobicContact CD2-CD2 3.64Å; L168-F172 HydrophobicContact CD2-CE2 3.8Å; L168-F172 PolarHBondContact O-N 2.71Å; F172-N176 HydrophobicContact CB-CB 4.1Å; F172-I177 HydrophobicContact CB-CG1 3.96Å
173K94.5Very high97Very high163 Ų16373.9 Ų73.971%0.70935%0.347SS*.  trans-73.9153.2170.2-65.2-176.6179.8179.20110.1R175 N176 I177K173-R175 PolarHBondContact O-N 3.17Å; K173-N176 PolarHBondContact O-N 3.44Å; K173-I177 PolarHBondContact O-N 2.64Å
174P94Very high97Very high57 Ų5772.8 Ų72.837%0.3734%0.343SS..Hα-helixtrans-49.9-38.4-178.5-3136.1000115N176 I177 I178 F224P174-N176 VanDerWaalsContact C-N 3.34Å; P174-N176 PolarHBondContact O-N 3.32Å; P174-I177 WeakPolarHBondContact O-CB 3.4Å; P174-I177 PolarHBondContact O-N 2.89Å; P174-I178 WeakPolarHBondContact O-CG1 3.28Å; P174-I178 PolarHBondContact O-N 3.01Å; P174-F224 HydrophobicContact CB-CD1 4.19Å; P174-F224 HydrophobicContact CB-CE1 4.48Å
175R95.9Very high97Very high184 Ų18469.4 Ų69.469%0.69432%0.323SS*.Hα-helixtrans-56.8-45.1175.8-178.8179177.41770.4112.7K173 I177 I178 Q179K173-R175 PolarHBondContact O-N 3.17Å; R175-I177 VanDerWaalsContact C-N 3.34Å; R175-I178 PolarHBondContact O-N 2.76Å; R175-Q179 WeakPolarHBondContact O-CG 3.46Å; R175-Q179 PolarHBondContact O-N 3.45Å
176N97.3Very high97.1Very high66 Ų6672.9 Ų72.935%0.35334%0.341SS..Hα-helixtrans-73.1-32.3-178.2-62.815000110.7F172 K173 P174 Q179 T180F172-N176 HydrophobicContact CB-CB 4.1Å; K173-N176 PolarHBondContact O-N 3.44Å; P174-N176 VanDerWaalsContact C-N 3.34Å; P174-N176 PolarHBondContact O-N 3.32Å; N176-Q179 PolarHBondContact O-N 3.01Å; N176-T180 WeakPolarHBondContact O-CB 3.34Å; N176-T180 PolarHBondContact O-N 2.93Å; N176-T180 PolarHBondContact O-OG1 2.91Å
177I97.7Very high97.1Very high1 Ų176.5 Ų76.51%0.00536%0.358CS..Hα-helixtrans-63-49.8172.6-57.2179000109.7I165 L168 L169 F172 K173 P174 R175 Q179 T180 L181 F224I165-I177 HydrophobicContact CD1-CG2 3.9Å; L168-I177 HydrophobicContact CB-CD1 4.13Å; L168-I177 HydrophobicContact CB-CG1 4.1Å; L168-I177 HydrophobicContact CB-CG2 4.34Å; L168-I177 HydrophobicContact CD1-CG2 4.15Å; L169-I177 HydrophobicContact CD2-CD1 3.82Å; L169-I177 HydrophobicContact CG-CD1 4.21Å; F172-I177 HydrophobicContact CB-CG1 3.96Å; K173-I177 PolarHBondContact O-N 2.64Å; P174-I177 WeakPolarHBondContact O-CB 3.4Å; P174-I177 PolarHBondContact O-N 2.89Å; R175-I177 VanDerWaalsContact C-N 3.34Å; I177-Q179 VanDerWaalsContact C-N 3.32Å; I177-Q179 PolarHBondContact O-N 3.49Å; I177-T180 WeakPolarHBondContact O-CB 3.38Å; I177-T180 PolarHBondContact O-N 3.47Å; I177-T180 VanDerWaalsContact O-N 3.12Å; I177-L181 HydrophobicContact CG2-CD1 4.03Å; I177-L181 HydrophobicContact CG2-CG 4.25Å; I177-L181 WeakPolarHBondContact O-CG 3.26Å; I177-L181 PolarHBondContact O-N 3.38Å; I177-F224 HydrophobicContact CB-CZ 4.34Å; I177-F224 HydrophobicContact CD1-CE1 4.24Å; I177-F224 HydrophobicContact CD1-CZ 4.21Å; I177-F224 HydrophobicContact CG2-CE1 4.27Å; I177-F224 HydrophobicContact CG2-CE2 3.77Å; I177-F224 HydrophobicContact CG2-CZ 3.61Å
178I98Very high97.2Very high42 Ų4270.3 Ų70.322%0.21533%0.332CS..Hα-helixtrans-55.9-47176.9-67.1164.5000111P174 R175 T180 L181 F182 I221 F224 I225P174-I178 WeakPolarHBondContact O-CG1 3.28Å; P174-I178 PolarHBondContact O-N 3.01Å; R175-I178 PolarHBondContact O-N 2.76Å; I178-T180 VanDerWaalsContact C-N 3.34Å; I178-T180 PolarHBondContact O-N 3.37Å; I178-L181 PolarHBondContact O-N 2.88Å; I178-F182 WeakPolarHBondContact O-CB 3.46Å; I178-F182 PolarHBondContact O-N 2.97Å; I178-I221 HydrophobicContact CG2-CG2 4.04Å; I178-F224 HydrophobicContact CD1-CB 3.83Å; I178-F224 HydrophobicContact CG1-CB 3.67Å; I178-F224 HydrophobicContact CG1-CG 4.1Å; I178-I225 HydrophobicContact CD1-CG1 4.03Å
179Q97.6Very high97.2Very high90 Ų9070.8 Ų70.842%0.42133%0.334SS..Hα-helixtrans-60.1-43.5177.1-73.6173.7-26.200112R175 N176 I177 F182 I183R175-Q179 WeakPolarHBondContact O-CG 3.46Å; R175-Q179 PolarHBondContact O-N 3.45Å; N176-Q179 PolarHBondContact O-N 3.01Å; I177-Q179 VanDerWaalsContact C-N 3.32Å; I177-Q179 PolarHBondContact O-N 3.49Å; Q179-F182 PolarHBondContact O-N 2.92Å; Q179-I183 VanDerWaalsContact O-CG1 3.27Å; Q179-I183 WeakPolarHBondContact O-CG1 3.38Å; Q179-I183 PolarHBondContact O-N 3.12Å
180T97.8Very high97.3Very high53 Ų5371.6 Ų71.633%0.32535%0.345SS..Hα-helixtrans-62.2-49.5177.7-55.90000111N176 I177 I178 F182 I183 V184N176-T180 WeakPolarHBondContact O-CB 3.34Å; N176-T180 PolarHBondContact O-N 2.93Å; N176-T180 PolarHBondContact O-OG1 2.91Å; I177-T180 WeakPolarHBondContact O-CB 3.38Å; I177-T180 PolarHBondContact O-N 3.47Å; I177-T180 VanDerWaalsContact O-N 3.12Å; I178-T180 VanDerWaalsContact C-N 3.34Å; I178-T180 PolarHBondContact O-N 3.37Å; T180-F182 VanDerWaalsContact C-N 3.28Å; T180-F182 PolarHBondContact O-N 3.37Å; T180-I183 PolarHBondContact O-N 3.34Å; T180-V184 WeakPolarHBondContact O-CG2 3.16Å; T180-V184 PolarHBondContact O-N 2.89Å
181L98.2Very high97.4Very high8 Ų869.5 Ų69.54%0.04234%0.338CS..Hα-helixtrans-60.8-39.4178-63176.3000111.4F161 I177 I178 S185 L217 C220 I221 F224F161-L181 HydrophobicContact CE2-CD2 4.19Å; I177-L181 HydrophobicContact CG2-CD1 4.03Å; I177-L181 HydrophobicContact CG2-CG 4.25Å; I177-L181 WeakPolarHBondContact O-CG 3.26Å; I177-L181 PolarHBondContact O-N 3.38Å; I178-L181 PolarHBondContact O-N 2.88Å; L181-S185 WeakPolarHBondContact O-CB 3.09Å; L181-S185 PolarHBondContact O-N 3.27Å; L181-L217 HydrophobicContact CD2-CD2 3.97Å; L181-C220 HydrophobicContact CD1-CB 4.06Å; L181-I221 HydrophobicContact CB-CD1 4.23Å; L181-I221 HydrophobicContact CB-CG1 3.78Å; L181-I221 HydrophobicContact CD1-CG1 4.43Å; L181-F224 HydrophobicContact CD1-CD2 4.19Å; L181-F224 HydrophobicContact CD1-CE2 4Å
182F98.2Very high97.5Very high96 Ų9661.6 Ų61.642%0.42131%0.308SS..Hα-helixtrans-65-45.3176.9-176.3-108.7000112.1I178 Q179 T180 S185 L186 I221I178-F182 WeakPolarHBondContact O-CB 3.46Å; I178-F182 PolarHBondContact O-N 2.97Å; Q179-F182 PolarHBondContact O-N 2.92Å; T180-F182 VanDerWaalsContact C-N 3.28Å; T180-F182 PolarHBondContact O-N 3.37Å; F182-S185 WeakPolarHBondContact O-CB 3.48Å; F182-S185 PolarHBondContact O-N 3.33Å; F182-L186 HydrophobicContact CD1-CD1 4.06Å; F182-L186 HydrophobicContact CE1-CD1 3.53Å; F182-L186 HydrophobicContact CE1-CG 4.23Å; F182-L186 HydrophobicContact CZ-CD1 3.85Å; F182-L186 HydrophobicContact CZ-CD2 4.32Å; F182-L186 HydrophobicContact CZ-CG 4.22Å; F182-L186 WeakPolarHBondContact O-CG 3.28Å; F182-L186 PolarHBondContact O-N 3.44Å; F182-I221 HydrophobicContact CB-CD1 3.98Å; F182-I221 HydrophobicContact CD2-CD1 4.23Å
183I98.4Very high97.5Very high99 Ų9960.6 Ų60.651%0.50831%0.305SS..Hα-helixtrans-61.9-47.1176.9-69.1164.2000110.8Q179 T180 S185 L186 I187Q179-I183 VanDerWaalsContact O-CG1 3.27Å; Q179-I183 WeakPolarHBondContact O-CG1 3.38Å; Q179-I183 PolarHBondContact O-N 3.12Å; T180-I183 PolarHBondContact O-N 3.34Å; I183-S185 VanDerWaalsContact C-N 3.27Å; I183-S185 PolarHBondContact O-N 3.06Å; I183-L186 PolarHBondContact O-N 3.42Å; I183-L186 VanDerWaalsContact O-N 3.16Å; I183-I187 HydrophobicContact CG2-CD1 4.04Å; I183-I187 WeakPolarHBondContact O-CG1 3.5Å; I183-I187 PolarHBondContact O-N 2.9Å
184V98.3Very high97.6Very high57 Ų5756.7 Ų56.735%0.34530%0.295SS..Hα-helixtrans-63-37.1178177.70000111.2T180 I187 S188 L213 L217T180-V184 WeakPolarHBondContact O-CG2 3.16Å; T180-V184 PolarHBondContact O-N 2.89Å; V184-I187 PolarHBondContact O-N 3.1Å; V184-S188 PolarHBondContact O-N 3.16Å; V184-L213 HydrophobicContact CG1-CD2 4.22Å; V184-L217 HydrophobicContact CB-CD1 3.97Å; V184-L217 HydrophobicContact CG1-CD1 3.65Å
185S98.3Very high97.7Very high0 Ų055.6 Ų55.60%029%0.285CS..Hα-helixtrans-60.8-43.9173.8-169.60000111.9L181 F182 I183 S188 L189 Q214 Y274L181-S185 WeakPolarHBondContact O-CB 3.09Å; L181-S185 PolarHBondContact O-N 3.27Å; F182-S185 WeakPolarHBondContact O-CB 3.48Å; F182-S185 PolarHBondContact O-N 3.33Å; I183-S185 VanDerWaalsContact C-N 3.27Å; I183-S185 PolarHBondContact O-N 3.06Å; S185-S188 PolarHBondContact O-N 2.66Å; S185-L189 PolarHBondContact O-N 2.9Å; S185-Q214 WeakPolarHBondContact O-CB 3.27Å; S185-Q214 WeakPolarHBondContact OG-CA 3.43Å; S185-Q214 PolarHBondContact OG-O 2.96Å; S185-Y274 WeakPolarHBondContact OG-CE2 3.24Å
186L98.3Very high97.5Very high73 Ų7347.2 Ų47.238%0.38225%0.254SS..Hα-helixtrans-67.8-34.2175.3-67.8-178.9000113.1F182 I183 L189 G190 Y274F182-L186 HydrophobicContact CD1-CD1 4.06Å; F182-L186 HydrophobicContact CE1-CD1 3.53Å; F182-L186 HydrophobicContact CE1-CG 4.23Å; F182-L186 HydrophobicContact CZ-CD1 3.85Å; F182-L186 HydrophobicContact CZ-CD2 4.32Å; F182-L186 HydrophobicContact CZ-CG 4.22Å; F182-L186 WeakPolarHBondContact O-CG 3.28Å; F182-L186 PolarHBondContact O-N 3.44Å; I183-L186 PolarHBondContact O-N 3.42Å; I183-L186 VanDerWaalsContact O-N 3.16Å; L186-L189 HydrophobicContact CD2-CD2 4.34Å; L186-L189 WeakPolarHBondContact O-CB 3.29Å; L186-L189 PolarHBondContact O-N 3.04Å; L186-G190 PolarHBondContact O-N 2.97Å; L186-Y274 HydrophobicContact CD2-CE1 4.46Å
187I98.5Very high97.3Very high100 Ų10052.2 Ų52.251%0.51327%0.273SS..Hα-helixtrans-63.8-45.3172.9-67.3166.7000110I183 V184 L189 G190 L191I183-I187 HydrophobicContact CG2-CD1 4.04Å; I183-I187 WeakPolarHBondContact O-CG1 3.5Å; I183-I187 PolarHBondContact O-N 2.9Å; V184-I187 PolarHBondContact O-N 3.1Å; I187-L189 VanDerWaalsContact C-N 3.35Å; I187-L189 PolarHBondContact O-N 2.94Å; I187-G190 PolarHBondContact O-N 2.89Å; I187-L191 HydrophobicContact CG2-CD1 4.34Å; I187-L191 HydrophobicContact CG2-CG 4.5Å; I187-L191 WeakPolarHBondContact O-CG 3.44Å; I187-L191 PolarHBondContact O-N 3.37Å
188S98.4Very high97Very high4 Ų458 Ų583%0.02830%0.303CS..Hα-helixtrans-60.8-41.9176.5179.20000112.2V184 S185 L191 M192 D210 L213 Q214V184-S188 PolarHBondContact O-N 3.16Å; S185-S188 PolarHBondContact O-N 2.66Å; S188-L191 PolarHBondContact O-N 3.1Å; S188-M192 PolarHBondContact O-N 3.3Å; S188-M192 VanDerWaalsContact O-N 3.08Å; S188-D210 WeakPolarHBondContact CA-O 3.35Å; S188-D210 VanDerWaalsContact CB-O 3.28Å; S188-D210 WeakPolarHBondContact CB-O 3.37Å; S188-D210 PolarHBondContact OG-O 3.31Å; S188-L213 PolarHBondContact OG-N 2.81Å; S188-Q214 PolarHBondContact OG-N 3.43Å
189L98.2Very high96.5Very high23 Ų2359.7 Ų59.712%0.1232%0.315CS..Hα-helixtrans-58.9-49.3170.5173.455.5000111.8S185 L186 I187 L191 M192 I193 Q214 Y274S185-L189 PolarHBondContact O-N 2.9Å; L186-L189 HydrophobicContact CD2-CD2 4.34Å; L186-L189 WeakPolarHBondContact O-CB 3.29Å; L186-L189 PolarHBondContact O-N 3.04Å; I187-L189 VanDerWaalsContact C-N 3.35Å; I187-L189 PolarHBondContact O-N 2.94Å; L189-L191 VanDerWaalsContact C-N 3.31Å; L189-L191 PolarHBondContact O-N 3.42Å; L189-M192 WeakPolarHBondContact O-CB 3.33Å; L189-M192 PolarHBondContact O-N 3.1Å; L189-M192 VanDerWaalsContact O-N 3.12Å; L189-I193 HydrophobicContact CD1-CD1 3.82Å; L189-I193 HydrophobicContact CD1-CG1 4.1Å; L189-I193 HydrophobicContact CG-CD1 4.03Å; L189-I193 WeakPolarHBondContact O-CG1 3.47Å; L189-I193 PolarHBondContact O-N 3.41Å; L189-Q214 VanDerWaalsContact CD1-OE1 3.27Å; L189-Y274 HydrophobicContact CB-CD2 4.44Å; L189-Y274 HydrophobicContact CD2-CD1 4.1Å; L189-Y274 HydrophobicContact CD2-CD2 4.15Å; L189-Y274 HydrophobicContact CD2-CE1 4.49Å; L189-Y274 HydrophobicContact CD2-CE2 4.5Å; L189-Y274 HydrophobicContact CD2-CG 3.9Å
190G98.1Very high95.8Very high29 Ų2958 Ų5830%0.29932%0.322SS..Hα-helixtrans-59.1-41.7178.800000112.4L186 I187 M192 I193 V194L186-G190 PolarHBondContact O-N 2.97Å; I187-G190 PolarHBondContact O-N 2.89Å; G190-M192 PolarHBondContact O-N 3.43Å; G190-I193 PolarHBondContact O-N 2.9Å; G190-V194 WeakPolarHBondContact O-CB 3.18Å; G190-V194 VanDerWaalsContact O-CG2 3.25Å; G190-V194 WeakPolarHBondContact O-CG2 3.32Å; G190-V194 PolarHBondContact O-N 3.48Å
191L97.9Very high95.1Very high71 Ų7158.1 Ų58.137%0.37232%0.321SS..Hα-helixtrans-61-42.6174.1-72.2173.9000111.8I187 S188 L189 I195 D210 T211I187-L191 HydrophobicContact CG2-CD1 4.34Å; I187-L191 HydrophobicContact CG2-CG 4.5Å; I187-L191 WeakPolarHBondContact O-CG 3.44Å; I187-L191 PolarHBondContact O-N 3.37Å; S188-L191 PolarHBondContact O-N 3.1Å; L189-L191 VanDerWaalsContact C-N 3.31Å; L189-L191 PolarHBondContact O-N 3.42Å; L191-I195 HydrophobicContact CB-CD1 4.45Å; L191-I195 VanDerWaalsContact O-CB 3.26Å; L191-I195 WeakPolarHBondContact O-CB 3.47Å; L191-I195 WeakPolarHBondContact O-CG1 3.45Å; L191-I195 PolarHBondContact O-N 3.15Å; L191-D210 HydrophobicContact CD1-CB 4.3Å; L191-T211 HydrophobicContact CB-CG2 4.31Å
192M97.6Very high94.7Very high0 Ų058.4 Ų58.40%032%0.322CS..Hα-helixtrans-58.2-51.3175.3176.6171-95.200111S188 L189 G190 H196 V205 T211 R212 Q214 F273S188-M192 PolarHBondContact O-N 3.3Å; S188-M192 VanDerWaalsContact O-N 3.08Å; L189-M192 WeakPolarHBondContact O-CB 3.33Å; L189-M192 PolarHBondContact O-N 3.1Å; L189-M192 VanDerWaalsContact O-N 3.12Å; G190-M192 PolarHBondContact O-N 3.43Å; M192-H196 WeakPolarHBondContact O-CB 3.39Å; M192-H196 PolarHBondContact O-N 3.15Å; M192-V205 HydrophobicContact CE-CB 4.31Å; M192-V205 VanDerWaalsContact CE-O 3.28Å; M192-V205 WeakPolarHBondContact CE-O 3.43Å; M192-V205 HydrophobicContact CG-CB 4.17Å; M192-V205 HydrophobicContact CG-CG2 4.5Å; M192-T211 HydrophobicContact CB-CG2 4.14Å; M192-R212 VanDerWaalsContact CE-CD 3.49Å; M192-R212 HydrophobicContact CE-CG 4.46Å; M192-Q214 PolarHBondContact SD-NE2 2.87Å; M192-F273 HydrophobicContact CE-CD2 4Å; M192-F273 HydrophobicContact CE-CE2 4.43Å; M192-F273 HydrophobicContact SD-CD2 3.94Å
193I96.9Very high94.3Very high57 Ų5754 Ų5429%0.29230%0.303SS..Hα-helixtrans-62-48.7-178.4-63.2171.5000110.6L189 G190 F197L189-I193 HydrophobicContact CD1-CD1 3.82Å; L189-I193 HydrophobicContact CD1-CG1 4.1Å; L189-I193 HydrophobicContact CG-CD1 4.03Å; L189-I193 WeakPolarHBondContact O-CG1 3.47Å; L189-I193 PolarHBondContact O-N 3.41Å; G190-I193 PolarHBondContact O-N 2.9Å; I193-F197 VanDerWaalsContact O-CB 3.25Å; I193-F197 WeakPolarHBondContact O-CB 3.33Å; I193-F197 PolarHBondContact O-N 3Å
194V97.1Very high94Very high80 Ų8051.5 Ų51.549%0.48529%0.288SS..Hα-helixtrans-66.9-46.4-176.2171.20000111.6G190 F197 I198G190-V194 WeakPolarHBondContact O-CB 3.18Å; G190-V194 VanDerWaalsContact O-CG2 3.25Å; G190-V194 WeakPolarHBondContact O-CG2 3.32Å; G190-V194 PolarHBondContact O-N 3.48Å; V194-F197 PolarHBondContact O-N 2.88Å; V194-I198 HydrophobicContact CG1-CD1 3.62Å; V194-I198 HydrophobicContact CG1-CG1 4.46Å; V194-I198 WeakPolarHBondContact O-CB 3.23Å; V194-I198 VanDerWaalsContact O-CG1 3.25Å; V194-I198 WeakPolarHBondContact O-CG1 3.36Å; V194-I198 PolarHBondContact O-N 3.21Å
195I95.4Very high93.8Very high34 Ų3448.8 Ų48.817%0.17427%0.271CS..Hα-helixtrans-65.7-43.5179.5-66.1169.3000110.2L191 F197 I198 T199 R204 V205 T211L191-I195 HydrophobicContact CB-CD1 4.45Å; L191-I195 VanDerWaalsContact O-CB 3.26Å; L191-I195 WeakPolarHBondContact O-CB 3.47Å; L191-I195 WeakPolarHBondContact O-CG1 3.45Å; L191-I195 PolarHBondContact O-N 3.15Å; I195-F197 PolarHBondContact O-N 3.26Å; I195-I198 PolarHBondContact O-N 3.06Å; I195-T199 HydrophobicContact CG2-CG2 4.18Å; I195-T199 WeakPolarHBondContact O-CB 3.32Å; I195-T199 WeakPolarHBondContact O-CG2 3.35Å; I195-T199 PolarHBondContact O-N 3.47Å; I195-T199 PolarHBondContact O-OG1 3.09Å; I195-R204 HydrophobicContact CG2-CG 3.93Å; I195-V205 HydrophobicContact CB-CG1 3.82Å; I195-V205 HydrophobicContact CG2-CG1 3.62Å; I195-T211 HydrophobicContact CD1-CG2 3.99Å
196H92.2Very high93.6Very high9 Ų948.8 Ų48.84%0.04227%0.271CS..Hα-helixtrans-59.3-47.2176.1171.565.5000111.2M192 I198 G200 N202 V205 Q266M192-H196 WeakPolarHBondContact O-CB 3.39Å; M192-H196 PolarHBondContact O-N 3.15Å; H196-I198 VanDerWaalsContact C-N 3.35Å; H196-I198 PolarHBondContact O-N 3.25Å; H196-G200 WeakPolarHBondContact O-CA 3.48Å; H196-G200 PolarHBondContact O-N 3.09Å; H196-N202 PolarHBondContact CE1-OD1 3.48Å; H196-N202 PolarHBondContact ND1-OD1 2.94Å; H196-N202 VanDerWaalsContact ND1-OD1 3.09Å; H196-V205 HydrophobicContact CB-CG1 4.07Å; H196-V205 HydrophobicContact CB-CG2 4.32Å; H196-Q266 PolarHBondContact CE1-OE1 3.28Å; H196-Q266 PolarHBondContact NE2-OE1 3Å
197F92.3Very high93.5Very high170 Ų17045.4 Ų45.475%0.74625%0.253SS*.Hα-helixtrans-61.4-40.4178.4-178.7-97.4000113I193 V194 I195I193-F197 VanDerWaalsContact O-CB 3.25Å; I193-F197 WeakPolarHBondContact O-CB 3.33Å; I193-F197 PolarHBondContact O-N 3Å; V194-F197 PolarHBondContact O-N 2.88Å; I195-F197 PolarHBondContact O-N 3.26Å
198I91.4Very high93.4Very high124 Ų12440.6 Ų40.664%0.63623%0.229SC*.Hα-helixtrans-75.1-42.2-178.3-68.8169000111.9V194 I195 H196V194-I198 HydrophobicContact CG1-CD1 3.62Å; V194-I198 HydrophobicContact CG1-CG1 4.46Å; V194-I198 WeakPolarHBondContact O-CB 3.23Å; V194-I198 VanDerWaalsContact O-CG1 3.25Å; V194-I198 WeakPolarHBondContact O-CG1 3.36Å; V194-I198 PolarHBondContact O-N 3.21Å; I195-I198 PolarHBondContact O-N 3.06Å; H196-I198 VanDerWaalsContact C-N 3.35Å; H196-I198 PolarHBondContact O-N 3.25Å
199T87.7Confident93.3Very high77 Ų7741.6 Ų41.647%0.47223%0.234SC..Hα-helixtrans-96.9-25.8-169.761.70000113.6I195 D201I195-T199 HydrophobicContact CG2-CG2 4.18Å; I195-T199 WeakPolarHBondContact O-CB 3.32Å; I195-T199 WeakPolarHBondContact O-CG2 3.35Å; I195-T199 PolarHBondContact O-N 3.47Å; I195-T199 PolarHBondContact O-OG1 3.09Å; T199-D201 PolarHBondContact O-N 3.48Å; T199-D201 VanDerWaalsContact O-N 3.14Å; T199-D201 PolarHBondContact OG1-N 3.33Å
200G83.4Confident93.3Very high54 Ų5442.5 Ų42.556%0.55724%0.239SC*.  trans64.23.2-166.400000113.9H196 N202H196-G200 WeakPolarHBondContact O-CA 3.48Å; H196-G200 PolarHBondContact O-N 3.09Å; G200-N202 PolarHBondContact O-N 3.21Å
201D82.5Confident93.2Very high56 Ų5641.1 Ų41.130%0.29923%0.225SC..  trans-92.2100.1-174.3-178.71.2000110.8T199 S203 R204T199-D201 PolarHBondContact O-N 3.48Å; T199-D201 VanDerWaalsContact O-N 3.14Å; T199-D201 PolarHBondContact OG1-N 3.33Å; D201-S203 VanDerWaalsContact C-N 3.27Å; D201-S203 PolarHBondContact O-N 3.26Å; D201-S203 WeakPolarHBondContact OD1-CA 3.43Å; D201-S203 VanDerWaalsContact OD1-CB 3.3Å; D201-S203 WeakPolarHBondContact OD1-CB 3.47Å; D201-S203 PolarHBondContact OD1-N 2.75Å; D201-R204 HydrophobicContact CB-CB 4.19Å; D201-R204 PolarHBondContact OD1-N 3.07Å; D201-R204 WeakPolarHBondContact OD2-CB 3.44Å
202N89.4Confident93.2Very high13 Ų1337.7 Ų37.77%0.0721%0.207CC..Hα-helixtrans-60.8-35.7175.1-70.3-10.6000112.3F137 H196 G200 V205 Y206 Y269F137-N202 HydrophobicContact CD2-CB 4.38Å; F137-N202 HydrophobicContact CE2-CB 3.84Å; H196-N202 PolarHBondContact CE1-OD1 3.48Å; H196-N202 PolarHBondContact ND1-OD1 2.94Å; H196-N202 VanDerWaalsContact ND1-OD1 3.09Å; G200-N202 PolarHBondContact O-N 3.21Å; N202-V205 VanDerWaalsContact O-CG2 3.25Å; N202-V205 WeakPolarHBondContact O-CG2 3.34Å; N202-V205 PolarHBondContact O-N 3.28Å; N202-Y206 WeakPolarHBondContact O-CB 3Å; N202-Y206 PolarHBondContact O-N 2.84Å; N202-Y269 HydrophobicContact CB-CE1 3.87Å; N202-Y269 HydrophobicContact CB-CE2 4.03Å; N202-Y269 VanDerWaalsContact CG-CE2 3.42Å; N202-Y269 WeakPolarHBondContact ND2-CE2 3.39Å
203S89.5Confident93.2Very high4 Ų439.9 Ų39.93%0.02822%0.219CC..Hα-helixtrans-68.6-41.7-176.8-68.70000111.6D135 Y136 D201 V205 Y206 F207D135-S203 PolarHBondContact OD1-OG 3.39Å; Y136-S203 PolarHBondContact N-OG 3.37Å; D201-S203 VanDerWaalsContact C-N 3.27Å; D201-S203 PolarHBondContact O-N 3.26Å; D201-S203 WeakPolarHBondContact OD1-CA 3.43Å; D201-S203 VanDerWaalsContact OD1-CB 3.3Å; D201-S203 WeakPolarHBondContact OD1-CB 3.47Å; D201-S203 PolarHBondContact OD1-N 2.75Å; S203-V205 VanDerWaalsContact C-N 3.35Å; S203-V205 PolarHBondContact O-N 3.21Å; S203-Y206 PolarHBondContact O-N 3.21Å; S203-F207 WeakPolarHBondContact O-CB 3.48Å; S203-F207 WeakPolarHBondContact O-CD2 3.38Å; S203-F207 PolarHBondContact O-N 2.97Å
204R93Very high93.2Very high47 Ų4737.1 Ų37.118%0.17721%0.205CC..Hα-helixtrans-56.6-46.2175.9170.957.4-174.788.70.5112.8I130 I195 D201 G208 D210I130-R204 VanDerWaalsContact CG2-CD 3.4Å; I195-R204 HydrophobicContact CG2-CG 3.93Å; D201-R204 HydrophobicContact CB-CB 4.19Å; D201-R204 PolarHBondContact OD1-N 3.07Å; D201-R204 WeakPolarHBondContact OD2-CB 3.44Å; R204-G208 PolarHBondContact O-N 2.86Å; R204-G208 VanDerWaalsContact O-N 3.14Å; R204-D210 IonicContact CZ-OD1 2.66Å; R204-D210 IonicContact CZ-OD2 3.14Å; R204-D210 IonicContact NH1-OD1 3.46Å; R204-D210 PolarHBondContact NH1-OD1 3.03Å; R204-D210 IonicContact NH1-OD2 2.71Å; R204-D210 IonicContact NH2-OD1 2.96Å; R204-D210 IonicContact NH2-OD2 2.72Å; R204-D210 PolarHBondContact NH2-OD2 3.24Å
205V94.5Very high93.2Very high0 Ų033.3 Ų33.30%018%0.182CC..Hα-helixtrans-79.3-24.2-178.5-60.70000112.3M192 I195 H196 N202 S203 T211 Y269M192-V205 HydrophobicContact CE-CB 4.31Å; M192-V205 VanDerWaalsContact CE-O 3.28Å; M192-V205 WeakPolarHBondContact CE-O 3.43Å; M192-V205 HydrophobicContact CG-CB 4.17Å; M192-V205 HydrophobicContact CG-CG2 4.5Å; I195-V205 HydrophobicContact CB-CG1 3.82Å; I195-V205 HydrophobicContact CG2-CG1 3.62Å; H196-V205 HydrophobicContact CB-CG1 4.07Å; H196-V205 HydrophobicContact CB-CG2 4.32Å; N202-V205 VanDerWaalsContact O-CG2 3.25Å; N202-V205 WeakPolarHBondContact O-CG2 3.34Å; N202-V205 PolarHBondContact O-N 3.28Å; S203-V205 VanDerWaalsContact C-N 3.35Å; S203-V205 PolarHBondContact O-N 3.21Å; V205-T211 HydrophobicContact CB-CG2 4.3Å; V205-T211 HydrophobicContact CG1-CG2 4.26Å; V205-T211 WeakPolarHBondContact O-CB 3.4Å; V205-T211 PolarHBondContact O-OG1 3.18Å; V205-Y269 HydrophobicContact CG2-CD1 3.54Å; V205-Y269 HydrophobicContact CG2-CE1 4.05Å; V205-Y269 HydrophobicContact CG2-CG 4.46Å
206Y93.6Very high93.4Very high0 Ų031.7 Ų31.70%017%0.173CC..Hα-helixtrans-74.6-41.9175.2-165.2-105.1000111.6F46 Y136 F137 W149 N202 S203 R212 F273F46-Y206 HydrophobicContact CD2-CE2 4.27Å; Y136-Y206 AromaticContact CD1-CD1 3.59Å; Y136-Y206 HydrophobicContact CD1-CD1 3.59Å; Y136-Y206 AromaticContact CD1-CE1 3.54Å; Y136-Y206 HydrophobicContact CD1-CE1 3.54Å; Y136-Y206 HydrophobicContact CD2-CD1 4.31Å; Y136-Y206 HydrophobicContact CD2-CE1 4.32Å; Y136-Y206 AromaticContact CE1-CD1 3.81Å; Y136-Y206 HydrophobicContact CE1-CD1 3.81Å; Y136-Y206 AromaticContact CE1-CE1 3.22Å; Y136-Y206 HydrophobicContact CE1-CE1 3.22Å; Y136-Y206 AromaticContact CE1-CZ 3.97Å; Y136-Y206 HydrophobicContact CE2-CD1 4.5Å; Y136-Y206 HydrophobicContact CE2-CE1 4.06Å; Y136-Y206 AromaticContact CG-CD1 3.85Å; Y136-Y206 HydrophobicContact CG-CD1 3.85Å; Y136-Y206 HydrophobicContact CG-CE1 4.07Å; Y136-Y206 AromaticContact CZ-CE1 3.49Å; Y136-Y206 VanDerWaalsContact CZ-CE1 3.49Å; F137-Y206 HydrophobicContact CZ-CD1 4.23Å; F137-Y206 HydrophobicContact CZ-CD2 4.22Å; F137-Y206 HydrophobicContact CZ-CG 4.02Å; W149-Y206 AromaticContact CE2-CE1 3.81Å; W149-Y206 AromaticContact CH2-CD1 3.84Å; W149-Y206 HydrophobicContact CH2-CD1 3.84Å; W149-Y206 AromaticContact CH2-CE1 3.55Å; W149-Y206 HydrophobicContact CH2-CE1 3.55Å; W149-Y206 HydrophobicContact CH2-CG 4.46Å; W149-Y206 AromaticContact CH2-CZ 3.94Å; W149-Y206 WeakPolarHBondContact CH2-O 3.45Å; W149-Y206 AromaticContact CZ2-CD1 3.68Å; W149-Y206 HydrophobicContact CZ2-CD1 3.68Å; W149-Y206 AromaticContact CZ2-CE1 3.08Å; W149-Y206 HydrophobicContact CZ2-CE1 3.08Å; W149-Y206 AromaticContact CZ2-CZ 3.67Å; W149-Y206 WeakPolarHBondContact CZ3-O 3.35Å; N202-Y206 WeakPolarHBondContact O-CB 3Å; N202-Y206 PolarHBondContact O-N 2.84Å; S203-Y206 PolarHBondContact O-N 3.21Å; Y206-R212 VanDerWaalsContact O-CG 3.28Å; Y206-R212 WeakPolarHBondContact O-CG 3.38Å; Y206-F273 HydrophobicContact CD2-CE2 4.14Å; Y206-F273 AromaticContact CD2-CZ 3.74Å; Y206-F273 HydrophobicContact CD2-CZ 3.74Å; Y206-F273 HydrophobicContact CE2-CE1 4.08Å; Y206-F273 HydrophobicContact CE2-CE2 4.42Å; Y206-F273 AromaticContact CE2-CZ 3.59Å; Y206-F273 HydrophobicContact CE2-CZ 3.59Å
207F95.4Very high93.7Very high1 Ų131.6 Ų31.60%0.00417%0.173CC..Hα-helixtrans-76.8-20.4175.6-70.7-50.5000114.7N126 Y129 I130 V134 Y136 K146 W149 S203 T209N126-F207 HydrophobicContact CB-CB 4.46Å; N126-F207 WeakPolarHBondContact CB-O 3.36Å; N126-F207 PolarHBondContact ND2-O 3.34Å; Y129-F207 HydrophobicContact CD2-CE1 4.04Å; Y129-F207 HydrophobicContact CD2-CZ 4.14Å; Y129-F207 HydrophobicContact CG-CZ 4.31Å; I130-F207 HydrophobicContact CD1-CB 3.83Å; I130-F207 HydrophobicContact CG1-CB 3.7Å; I130-F207 HydrophobicContact CG1-CD2 4.48Å; V134-F207 WeakPolarHBondContact O-CE2 3.42Å; Y136-F207 HydrophobicContact CD2-CD1 4.48Å; Y136-F207 AromaticContact CD2-CE1 3.46Å; Y136-F207 HydrophobicContact CD2-CE1 3.46Å; Y136-F207 VanDerWaalsContact CD2-CE1 3.46Å; Y136-F207 AromaticContact CD2-CZ 3.53Å; Y136-F207 HydrophobicContact CD2-CZ 3.53Å; Y136-F207 HydrophobicContact CE2-CE1 4.31Å; Y136-F207 HydrophobicContact CG-CE1 4.12Å; Y136-F207 AromaticContact CG-CZ 3.93Å; Y136-F207 HydrophobicContact CG-CZ 3.93Å; K146-F207 HydrophobicContact CD-CZ 4.48Å; K146-F207 HydrophobicContact CG-CZ 4.45Å; W149-F207 HydrophobicContact CB-CD1 3.54Å; W149-F207 HydrophobicContact CB-CE1 3.62Å; W149-F207 AromaticContact CD1-CD1 3.99Å; W149-F207 AromaticContact CD1-CE1 3.54Å; W149-F207 AromaticContact CD2-CD1 3.53Å; W149-F207 HydrophobicContact CD2-CD1 3.53Å; W149-F207 AromaticContact CD2-CE1 3.89Å; W149-F207 HydrophobicContact CD2-CE1 3.89Å; W149-F207 AromaticContact CE3-CD1 3.82Å; W149-F207 HydrophobicContact CE3-CD1 3.82Å; W149-F207 AromaticContact CG-CD1 3.39Å; W149-F207 HydrophobicContact CG-CD1 3.39Å; W149-F207 AromaticContact CG-CE1 3.38Å; W149-F207 HydrophobicContact CG-CE1 3.38Å; S203-F207 WeakPolarHBondContact O-CB 3.48Å; S203-F207 WeakPolarHBondContact O-CD2 3.38Å; S203-F207 PolarHBondContact O-N 2.97Å; F207-T209 PolarHBondContact O-N 3.47Å
208G96.4Very high94Very high0 Ų023.7 Ų23.70%014%0.138CC..  trans-66.8121.9-171.100000113.8R204 D210 T211 R212R204-G208 PolarHBondContact O-N 2.86Å; R204-G208 VanDerWaalsContact O-N 3.14Å; G208-D210 VanDerWaalsContact C-OD1 3.32Å; G208-D210 WeakPolarHBondContact CA-OD1 3.29Å; G208-D210 PolarHBondContact O-N 3Å; G208-T211 WeakPolarHBondContact CA-OG1 3.39Å; G208-T211 PolarHBondContact O-N 3.43Å; G208-T211 PolarHBondContact O-OG1 3.46Å; G208-R212 VanDerWaalsContact O-CB 3.26Å; G208-R212 WeakPolarHBondContact O-CB 3.4Å; G208-R212 WeakPolarHBondContact O-CG 3.46Å; G208-R212 PolarHBondContact O-N 3.26Å
209T97.6Very high94.3Very high24 Ų2417.8 Ų17.815%0.14711%0.108CC..Hα-helixtrans-59.7-39.1168.5-560000110.1N126 I153 Q156 F207 T211 R212 L213N126-T209 PolarHBondContact ND2-OG1 3.29Å; I153-T209 HydrophobicContact CG2-CG2 4.35Å; Q156-T209 PolarHBondContact OE1-OG1 3.46Å; F207-T209 PolarHBondContact O-N 3.47Å; T209-T211 VanDerWaalsContact C-N 3.33Å; T209-T211 PolarHBondContact O-N 3.11Å; T209-R212 PolarHBondContact O-N 2.98Å; T209-L213 VanDerWaalsContact O-CB 3.23Å; T209-L213 WeakPolarHBondContact O-CB 3.5Å; T209-L213 PolarHBondContact O-N 3.23Å
210D97.1Very high94.8Very high42 Ų4214.1 Ų14.123%0.2259%0.085CC..Hα-helixtrans-59.9-37.6177.254-25.5000113.3S188 L191 R204 G208S188-D210 WeakPolarHBondContact CA-O 3.35Å; S188-D210 VanDerWaalsContact CB-O 3.28Å; S188-D210 WeakPolarHBondContact CB-O 3.37Å; S188-D210 PolarHBondContact OG-O 3.31Å; L191-D210 HydrophobicContact CD1-CB 4.3Å; R204-D210 IonicContact CZ-OD1 2.66Å; R204-D210 IonicContact CZ-OD2 3.14Å; R204-D210 IonicContact NH1-OD1 3.46Å; R204-D210 PolarHBondContact NH1-OD1 3.03Å; R204-D210 IonicContact NH1-OD2 2.71Å; R204-D210 IonicContact NH2-OD1 2.96Å; R204-D210 IonicContact NH2-OD2 2.72Å; R204-D210 PolarHBondContact NH2-OD2 3.24Å; G208-D210 VanDerWaalsContact C-OD1 3.32Å; G208-D210 WeakPolarHBondContact CA-OD1 3.29Å; G208-D210 PolarHBondContact O-N 3Å
211T96.9Very high95.5Very high0 Ų012.2 Ų12.20%06%0.063CC..Hα-helixtrans-94.1-17.9-176.752.70000113.5L191 M192 I195 V205 G208 T209 Q214L191-T211 HydrophobicContact CB-CG2 4.31Å; M192-T211 HydrophobicContact CB-CG2 4.14Å; I195-T211 HydrophobicContact CD1-CG2 3.99Å; V205-T211 HydrophobicContact CB-CG2 4.3Å; V205-T211 HydrophobicContact CG1-CG2 4.26Å; V205-T211 WeakPolarHBondContact O-CB 3.4Å; V205-T211 PolarHBondContact O-OG1 3.18Å; G208-T211 WeakPolarHBondContact CA-OG1 3.39Å; G208-T211 PolarHBondContact O-N 3.43Å; G208-T211 PolarHBondContact O-OG1 3.46Å; T209-T211 VanDerWaalsContact C-N 3.33Å; T209-T211 PolarHBondContact O-N 3.11Å; T211-Q214 PolarHBondContact O-NE2 3.33Å
212R96.7Very high96.3Very high0 Ų010.4 Ų10.40%05%0.053CC..Hα-helixtrans-104.6-15.2-178.2-60.4-67.1-72.9152.6-0.4114.3D50 F53 I153 M192 Y206 G208 T209 Q214 T215 F273D50-R212 IonicContact OD1-CZ 2.79Å; D50-R212 IonicContact OD1-NH1 3.53Å; D50-R212 PolarHBondContact OD1-NH1 2.67Å; D50-R212 IonicContact OD1-NH2 3.63Å; D50-R212 PolarHBondContact OD1-NH2 2.95Å; D50-R212 IonicContact OD2-CZ 3.59Å; D50-R212 IonicContact OD2-NH2 3.81Å; D50-R212 PolarHBondContact OD2-NH2 3.19Å; F53-R212 HydrophobicContact CE2-CB 4.29Å; I153-R212 HydrophobicContact CD1-CB 4.13Å; I153-R212 HydrophobicContact CD1-CG 4.3Å; M192-R212 VanDerWaalsContact CE-CD 3.49Å; M192-R212 HydrophobicContact CE-CG 4.46Å; Y206-R212 VanDerWaalsContact O-CG 3.28Å; Y206-R212 WeakPolarHBondContact O-CG 3.38Å; G208-R212 VanDerWaalsContact O-CB 3.26Å; G208-R212 WeakPolarHBondContact O-CB 3.4Å; G208-R212 WeakPolarHBondContact O-CG 3.46Å; G208-R212 PolarHBondContact O-N 3.26Å; T209-R212 PolarHBondContact O-N 2.98Å; R212-Q214 PolarHBondContact O-N 3.05Å; R212-Q214 VanDerWaalsContact O-N 3.09Å; R212-T215 PolarHBondContact O-N 2.88Å; R212-T215 PolarHBondContact O-OG1 3.46Å; R212-F273 VanDerWaalsContact NH1-CD1 3.33Å
213L97.6Very high96.6Very high45 Ų459.8 Ų9.824%0.2365%0.049CC..Hα-helixtrans-52.7-33178.3-177.863.3000113F157 V184 S188 T209 T215 L216 L217F157-L213 HydrophobicContact CD2-CD1 4.09Å; V184-L213 HydrophobicContact CG1-CD2 4.22Å; S188-L213 PolarHBondContact OG-N 2.81Å; T209-L213 VanDerWaalsContact O-CB 3.23Å; T209-L213 WeakPolarHBondContact O-CB 3.5Å; T209-L213 PolarHBondContact O-N 3.23Å; L213-T215 PolarHBondContact O-N 3.22Å; L213-T215 VanDerWaalsContact O-N 3.14Å; L213-L216 HydrophobicContact CD1-CB 4.48Å; L213-L216 HydrophobicContact CD1-CD1 4.39Å; L213-L216 PolarHBondContact O-N 3.44Å; L213-L217 HydrophobicContact CD1-CD1 4.4Å; L213-L217 HydrophobicContact CD1-CD2 4.35Å; L213-L217 HydrophobicContact CD1-CG 4.06Å; L213-L217 HydrophobicContact CD2-CD1 4.02Å; L213-L217 HydrophobicContact CG-CD1 3.71Å; L213-L217 HydrophobicContact CG-CG 3.85Å; L213-L217 WeakPolarHBondContact O-CG 3.49Å; L213-L217 PolarHBondContact O-N 3.15Å
214Q97.8Very high97Very high0 Ų010.7 Ų10.70%05%0.053CC..Hα-helixtrans-45.1-42.6173.154.5172.8-23.500113.9S185 S188 L189 M192 T211 R212 L217 L218 Y274S185-Q214 WeakPolarHBondContact O-CB 3.27Å; S185-Q214 WeakPolarHBondContact OG-CA 3.43Å; S185-Q214 PolarHBondContact OG-O 2.96Å; S188-Q214 PolarHBondContact OG-N 3.43Å; L189-Q214 VanDerWaalsContact CD1-OE1 3.27Å; M192-Q214 PolarHBondContact SD-NE2 2.87Å; T211-Q214 PolarHBondContact O-NE2 3.33Å; R212-Q214 PolarHBondContact O-N 3.05Å; R212-Q214 VanDerWaalsContact O-N 3.09Å; Q214-L217 PolarHBondContact O-N 3.2Å; Q214-L218 WeakPolarHBondContact O-CG 3.42Å; Q214-L218 PolarHBondContact O-N 3.02Å; Q214-L218 VanDerWaalsContact O-N 3.09Å; Q214-Y274 HydrophobicContact CB-CD2 3.95Å; Q214-Y274 HydrophobicContact CB-CE2 4.06Å; Q214-Y274 HydrophobicContact CG-CD2 4.38Å
215T97.4Very high97.2Very high0 Ų013.4 Ų13.40%07%0.07CC..Hα-helixtrans-70.5-43.7-176.162.60000111.8F53 V54 R212 L213 S277F53-T215 WeakPolarHBondContact CB-OG1 3.5Å; F53-T215 VanDerWaalsContact CD2-OG1 3.32Å; F53-T215 WeakPolarHBondContact CD2-OG1 3.48Å; V54-T215 WeakPolarHBondContact CG2-O 3.45Å; R212-T215 PolarHBondContact O-N 2.88Å; R212-T215 PolarHBondContact O-OG1 3.46Å; L213-T215 PolarHBondContact O-N 3.22Å; L213-T215 VanDerWaalsContact O-N 3.14Å; T215-S277 VanDerWaalsContact CG2-OG 3.23Å; T215-S277 WeakPolarHBondContact CG2-OG 3.18Å
216L98.3Very high97.2Very high0 Ų016.6 Ų16.60%08%0.082CC..Hα-helixtrans-61.1-44.8173.3-74.9151.7000111F53 G57 I153 F157 L213 L218 G219 C220F53-L216 HydrophobicContact CB-CD2 4.27Å; F53-L216 HydrophobicContact CB-CG 4.03Å; F53-L216 HydrophobicContact CG-CG 4.32Å; F53-L216 WeakPolarHBondContact O-CD2 3.42Å; G57-L216 WeakPolarHBondContact CA-O 3.45Å; I153-L216 HydrophobicContact CG2-CD1 3.9Å; F157-L216 HydrophobicContact CB-CD1 4.16Å; F157-L216 HydrophobicContact CD1-CD2 4.01Å; F157-L216 HydrophobicContact CD2-CB 4.35Å; F157-L216 HydrophobicContact CD2-CD1 4.27Å; F157-L216 HydrophobicContact CE1-CD2 4.32Å; F157-L216 HydrophobicContact CE2-CB 4.31Å; F157-L216 HydrophobicContact CG-CD1 4.19Å; F157-L216 HydrophobicContact CG-CD2 4.14Å; L213-L216 HydrophobicContact CD1-CB 4.48Å; L213-L216 HydrophobicContact CD1-CD1 4.39Å; L213-L216 PolarHBondContact O-N 3.44Å; L216-L218 PolarHBondContact O-N 2.97Å; L216-G219 PolarHBondContact O-N 3Å; L216-G219 VanDerWaalsContact O-N 3.15Å; L216-C220 PolarHBondContact O-N 3.32Å; L216-C220 PolarHBondContact O-SG 3.11Å
217L98.5Very high97.2Very high6 Ų617.7 Ų17.73%0.0319%0.089CC..Hα-helixtrans-67.2-34.2-176.7-68.8-179000113.1F161 L181 V184 L213 Q214 G219 C220 I221F161-L217 HydrophobicContact CE2-CD2 4.49Å; L181-L217 HydrophobicContact CD2-CD2 3.97Å; V184-L217 HydrophobicContact CB-CD1 3.97Å; V184-L217 HydrophobicContact CG1-CD1 3.65Å; L213-L217 HydrophobicContact CD1-CD1 4.4Å; L213-L217 HydrophobicContact CD1-CD2 4.35Å; L213-L217 HydrophobicContact CD1-CG 4.06Å; L213-L217 HydrophobicContact CD2-CD1 4.02Å; L213-L217 HydrophobicContact CG-CD1 3.71Å; L213-L217 HydrophobicContact CG-CG 3.85Å; L213-L217 WeakPolarHBondContact O-CG 3.49Å; L213-L217 PolarHBondContact O-N 3.15Å; Q214-L217 PolarHBondContact O-N 3.2Å; L217-G219 VanDerWaalsContact C-N 3.29Å; L217-G219 PolarHBondContact O-N 2.94Å; L217-C220 WeakPolarHBondContact O-CB 3.37Å; L217-C220 PolarHBondContact O-N 3.07Å; L217-C220 VanDerWaalsContact O-N 3.1Å; L217-I221 VanDerWaalsContact O-CG1 3.32Å; L217-I221 WeakPolarHBondContact O-CG1 3.21Å; L217-I221 PolarHBondContact O-N 3.16Å
218L98.5Very high97Very high4 Ų418.1 Ų18.12%0.0219%0.092CC..Hα-helixtrans-57.4-43.4170.5-75.2177000111.7Q214 L216 C220 I221 L222 Y274 F278 L281Q214-L218 WeakPolarHBondContact O-CG 3.42Å; Q214-L218 PolarHBondContact O-N 3.02Å; Q214-L218 VanDerWaalsContact O-N 3.09Å; L216-L218 PolarHBondContact O-N 2.97Å; L218-C220 VanDerWaalsContact C-N 3.35Å; L218-C220 PolarHBondContact O-N 3.04Å; L218-I221 PolarHBondContact O-N 2.88Å; L218-L222 PolarHBondContact O-N 3.35Å; L218-L222 VanDerWaalsContact O-N 3.09Å; L218-Y274 HydrophobicContact CD1-CD2 3.86Å; L218-Y274 HydrophobicContact CD1-CE1 4.48Å; L218-Y274 HydrophobicContact CD1-CE2 3.77Å; L218-Y274 HydrophobicContact CD1-CG 4.32Å; L218-Y274 HydrophobicContact CD2-CE1 4.41Å; L218-Y274 HydrophobicContact CD2-CE2 4.05Å; L218-Y274 HydrophobicContact CG-CD2 4.49Å; L218-Y274 HydrophobicContact CG-CE2 3.94Å; L218-F278 HydrophobicContact CD1-CB 4.48Å; L218-L281 HydrophobicContact CB-CD1 4.23Å; L218-L281 HydrophobicContact CB-CD2 4.07Å; L218-L281 HydrophobicContact CD2-CD1 4.3Å; L218-L281 WeakPolarHBondContact O-CD2 3.28Å
219G98.4Very high96.6Very high0 Ų018.5 Ų18.50%09%0.094CC..Hα-helixtrans-61.4-41.1172.700000112.9V54 Y58 L216 L217 L222 A223V54-G219 WeakPolarHBondContact O-CA 3.12Å; Y58-G219 WeakPolarHBondContact CA-O 3.3Å; L216-G219 PolarHBondContact O-N 3Å; L216-G219 VanDerWaalsContact O-N 3.15Å; L217-G219 VanDerWaalsContact C-N 3.29Å; L217-G219 PolarHBondContact O-N 2.94Å; G219-L222 PolarHBondContact O-N 3.22Å; G219-A223 PolarHBondContact O-N 3.24Å; G219-A223 VanDerWaalsContact O-N 3.09Å
220C98.5Very high96.1Very high0 Ų020.1 Ų20.10%011%0.109CC..Hα-helixtrans-62.3-43.6176.9-57.10000112T61 F157 F161 L181 L216 L217 L218 L222 A223 F224T61-C220 HydrophobicContact CG2-CB 4.28Å; T61-C220 WeakPolarHBondContact OG1-CB 3.46Å; T61-C220 PolarHBondContact OG1-SG 3.08Å; F157-C220 VanDerWaalsContact CZ-SG 3.52Å; F161-C220 HydrophobicContact CE2-CB 4.47Å; F161-C220 HydrophobicContact CZ-CB 4.03Å; L181-C220 HydrophobicContact CD1-CB 4.06Å; L216-C220 PolarHBondContact O-N 3.32Å; L216-C220 PolarHBondContact O-SG 3.11Å; L217-C220 WeakPolarHBondContact O-CB 3.37Å; L217-C220 PolarHBondContact O-N 3.07Å; L217-C220 VanDerWaalsContact O-N 3.1Å; L218-C220 VanDerWaalsContact C-N 3.35Å; L218-C220 PolarHBondContact O-N 3.04Å; C220-L222 VanDerWaalsContact C-N 3.34Å; C220-L222 PolarHBondContact O-N 2.69Å; C220-A223 WeakPolarHBondContact O-CB 3.47Å; C220-A223 PolarHBondContact O-N 3.26Å; C220-F224 WeakPolarHBondContact O-CD2 3.29Å; C220-F224 PolarHBondContact O-N 3.01Å
221I98.5Very high95.7Very high15 Ų1518.9 Ų18.98%0.07710%0.102CC..Hα-helixtrans-60.2-46176.7-69.9162.2000110.2I178 L181 F182 L217 L218 A223 F224 I225I178-I221 HydrophobicContact CG2-CG2 4.04Å; L181-I221 HydrophobicContact CB-CD1 4.23Å; L181-I221 HydrophobicContact CB-CG1 3.78Å; L181-I221 HydrophobicContact CD1-CG1 4.43Å; F182-I221 HydrophobicContact CB-CD1 3.98Å; F182-I221 HydrophobicContact CD2-CD1 4.23Å; L217-I221 VanDerWaalsContact O-CG1 3.32Å; L217-I221 WeakPolarHBondContact O-CG1 3.21Å; L217-I221 PolarHBondContact O-N 3.16Å; L218-I221 PolarHBondContact O-N 2.88Å; I221-A223 VanDerWaalsContact C-N 3.26Å; I221-A223 PolarHBondContact O-N 3.18Å; I221-F224 PolarHBondContact O-N 3.21Å; I221-F224 VanDerWaalsContact O-N 3.1Å; I221-I225 HydrophobicContact CG2-CD1 3.6Å; I221-I225 HydrophobicContact CG2-CG1 4.41Å; I221-I225 WeakPolarHBondContact O-CG1 3.41Å; I221-I225 PolarHBondContact O-N 3.33Å; I221-I225 VanDerWaalsContact O-N 3.15Å
222L97.9Very high95.2Very high17 Ų1726.2 Ų26.29%0.08913%0.134CC..Hα-helixtrans-60.3-35176.8-178.766.7000112.3Y58 L218 G219 C220 F224 I225 W226 L281 I284 A285Y58-L222 HydrophobicContact CD2-CB 4.06Å; Y58-L222 HydrophobicContact CD2-CD2 3.87Å; Y58-L222 HydrophobicContact CD2-CG 3.81Å; Y58-L222 HydrophobicContact CE2-CD2 4.17Å; Y58-L222 HydrophobicContact CE2-CG 3.95Å; L218-L222 PolarHBondContact O-N 3.35Å; L218-L222 VanDerWaalsContact O-N 3.09Å; G219-L222 PolarHBondContact O-N 3.22Å; C220-L222 VanDerWaalsContact C-N 3.34Å; C220-L222 PolarHBondContact O-N 2.69Å; L222-F224 VanDerWaalsContact C-N 3.27Å; L222-F224 PolarHBondContact O-N 3.2Å; L222-I225 PolarHBondContact O-N 3.12Å; L222-W226 HydrophobicContact CD1-CB 3.69Å; L222-W226 HydrophobicContact CD1-CG 4.48Å; L222-W226 HydrophobicContact CG-CB 4.29Å; L222-W226 WeakPolarHBondContact O-CA 3.47Å; L222-W226 PolarHBondContact O-N 3.07Å; L222-L281 HydrophobicContact CB-CD2 3.99Å; L222-L281 HydrophobicContact CD2-CB 4.07Å; L222-L281 HydrophobicContact CD2-CD2 3.98Å; L222-L281 WeakPolarHBondContact CD2-O 3.19Å; L222-I284 HydrophobicContact CD2-CB 3.9Å; L222-I284 HydrophobicContact CD2-CG2 3.57Å; L222-A285 HydrophobicContact CD1-CB 4.39Å
223A97.4Very high94.5Very high0 Ų033.3 Ų33.30%017%0.165CC..Hα-helixtrans-64.6-28.6177.100000113.5Y58 T61 S62 G219 C220 I221 P227Y58-A223 HydrophobicContact CD2-CB 3.91Å; Y58-A223 HydrophobicContact CE2-CB 4.29Å; Y58-A223 WeakPolarHBondContact O-CB 3.27Å; T61-A223 HydrophobicContact CG2-CB 3.67Å; S62-A223 WeakPolarHBondContact OG-CB 3.26Å; G219-A223 PolarHBondContact O-N 3.24Å; G219-A223 VanDerWaalsContact O-N 3.09Å; C220-A223 WeakPolarHBondContact O-CB 3.47Å; C220-A223 PolarHBondContact O-N 3.26Å; I221-A223 VanDerWaalsContact C-N 3.26Å; I221-A223 PolarHBondContact O-N 3.18Å; A223-P227 WeakPolarHBondContact O-CA 3.22Å; A223-P227 WeakPolarHBondContact O-CB 3.47Å
224F96.9Very high93.9Very high23 Ų2338.3 Ų38.310%0.10119%0.192CC..Hα-helixtrans-78.6-38.1172.8-82.9-83.8000112.9T61 I65 I165 L169 P174 I177 I178 L181 C220 I221 L222T61-F224 HydrophobicContact CG2-CD2 4.08Å; T61-F224 HydrophobicContact CG2-CE2 3.81Å; I65-F224 HydrophobicContact CD1-CD1 3.65Å; I65-F224 HydrophobicContact CD1-CD2 3.71Å; I65-F224 HydrophobicContact CD1-CE1 3.49Å; I65-F224 VanDerWaalsContact CD1-CE1 3.49Å; I65-F224 HydrophobicContact CD1-CE2 3.54Å; I65-F224 HydrophobicContact CD1-CG 3.75Å; I65-F224 HydrophobicContact CD1-CZ 3.42Å; I65-F224 VanDerWaalsContact CD1-CZ 3.42Å; I65-F224 HydrophobicContact CG1-CE1 4.04Å; I65-F224 HydrophobicContact CG1-CE2 4.35Å; I65-F224 HydrophobicContact CG1-CZ 3.88Å; I165-F224 HydrophobicContact CD1-CE2 3.84Å; I165-F224 HydrophobicContact CD1-CZ 3.75Å; I165-F224 HydrophobicContact CG1-CZ 4.39Å; L169-F224 HydrophobicContact CD2-CE1 4.09Å; L169-F224 HydrophobicContact CD2-CZ 4.19Å; P174-F224 HydrophobicContact CB-CD1 4.19Å; P174-F224 HydrophobicContact CB-CE1 4.48Å; I177-F224 HydrophobicContact CB-CZ 4.34Å; I177-F224 HydrophobicContact CD1-CE1 4.24Å; I177-F224 HydrophobicContact CD1-CZ 4.21Å; I177-F224 HydrophobicContact CG2-CE1 4.27Å; I177-F224 HydrophobicContact CG2-CE2 3.77Å; I177-F224 HydrophobicContact CG2-CZ 3.61Å; I178-F224 HydrophobicContact CD1-CB 3.83Å; I178-F224 HydrophobicContact CG1-CB 3.67Å; I178-F224 HydrophobicContact CG1-CG 4.1Å; L181-F224 HydrophobicContact CD1-CD2 4.19Å; L181-F224 HydrophobicContact CD1-CE2 4Å; C220-F224 WeakPolarHBondContact O-CD2 3.29Å; C220-F224 PolarHBondContact O-N 3.01Å; I221-F224 PolarHBondContact O-N 3.21Å; I221-F224 VanDerWaalsContact O-N 3.1Å; L222-F224 VanDerWaalsContact C-N 3.27Å; L222-F224 PolarHBondContact O-N 3.2Å
225I96.4Very high93.4Very high104 Ų10440.7 Ų40.753%0.53321%0.205SC..Hα-helixtrans-79.6-38-176.4-62.3172.4000111.3I178 I221 L222 P227I178-I225 HydrophobicContact CD1-CG1 4.03Å; I221-I225 HydrophobicContact CG2-CD1 3.6Å; I221-I225 HydrophobicContact CG2-CG1 4.41Å; I221-I225 WeakPolarHBondContact O-CG1 3.41Å; I221-I225 PolarHBondContact O-N 3.33Å; I221-I225 VanDerWaalsContact O-N 3.15Å; L222-I225 PolarHBondContact O-N 3.12Å; I225-P227 VanDerWaalsContact C-CD 3.4Å
226W94.8Very high93.1Very high68 Ų6843.6 Ų43.626%0.25823%0.225SC..SBendtrans-129.956.7-173.2-158-101.3000112.2Y58 L222 L231 L243 A285 H289Y58-W226 PolarHBondContact OH-O 2.93Å; L222-W226 HydrophobicContact CD1-CB 3.69Å; L222-W226 HydrophobicContact CD1-CG 4.48Å; L222-W226 HydrophobicContact CG-CB 4.29Å; L222-W226 WeakPolarHBondContact O-CA 3.47Å; L222-W226 PolarHBondContact O-N 3.07Å; W226-L231 HydrophobicContact CD2-CD2 3.85Å; W226-L231 HydrophobicContact CG-CD2 4.09Å; W226-L231 HydrophobicContact CZ2-CD2 4Å; W226-L243 HydrophobicContact CH2-CD1 4.23Å; W226-L243 HydrophobicContact CH2-CD2 4.31Å; W226-L243 HydrophobicContact CZ2-CD1 4.15Å; W226-L243 HydrophobicContact CZ2-CD2 4.44Å; W226-A285 HydrophobicContact CG-CB 4.4Å; W226-A285 PolarHBondContact NE1-O 2.92Å; W226-H289 AromaticContact CZ2-CD2 3.77Å
227P93.6Very high92.5Very high23 Ų2352.5 Ų52.515%0.14926%0.264CS..  trans-66.1131.2-175.220.4-27.6000111.8A223 I225 F229 A230A223-P227 WeakPolarHBondContact O-CA 3.22Å; A223-P227 WeakPolarHBondContact O-CB 3.47Å; I225-P227 VanDerWaalsContact C-CD 3.4Å; P227-F229 HydrophobicContact CB-CD1 4.22Å; P227-F229 HydrophobicContact CB-CD2 4.16Å; P227-F229 HydrophobicContact CB-CE1 3.68Å; P227-F229 HydrophobicContact CB-CE2 3.59Å; P227-F229 HydrophobicContact CB-CG 4.45Å; P227-F229 HydrophobicContact CB-CZ 3.34Å; P227-F229 HydrophobicContact CG-CE2 4.08Å; P227-F229 HydrophobicContact CG-CZ 4.18Å; P227-F229 PolarHBondContact O-N 3.38Å; P227-F229 VanDerWaalsContact O-N 3.15Å; P227-A230 HydrophobicContact CB-CB 4.46Å; P227-A230 HydrophobicContact CG-CB 3.82Å; P227-A230 PolarHBondContact O-N 3.43Å
228P91.4Very high92.2Very high9 Ų960.7 Ų60.76%0.05830%0.299CS..THydrogen-bonded Turntrans-64.9-28.1-171.323.1-29.9000113.2L18 Y58 S62 A230L18-P228 HydrophobicContact CD1-CB 3.94Å; L18-P228 HydrophobicContact CD1-CG 4.13Å; L18-P228 HydrophobicContact CD2-CB 3.95Å; Y58-P228 HydrophobicContact CE1-CG 4.39Å; Y58-P228 WeakPolarHBondContact OH-CB 3.46Å; Y58-P228 VanDerWaalsContact OH-CD 3.24Å; Y58-P228 WeakPolarHBondContact OH-CD 3.26Å; S62-P228 VanDerWaalsContact OG-CD 3.27Å; S62-P228 WeakPolarHBondContact OG-CD 3.48Å; P228-A230 VanDerWaalsContact C-N 3.32Å
229F87.9Confident91.7Very high9 Ų964.6 Ų64.64%0.03932%0.319CS..THydrogen-bonded Turntrans-73.8-20.3177.551.3-101.7000113.2Y13 R16 I65 Y69 P227Y13-F229 AromaticContact CD1-CD2 3.47Å; Y13-F229 HydrophobicContact CD1-CD2 3.47Å; Y13-F229 VanDerWaalsContact CD1-CD2 3.47Å; Y13-F229 AromaticContact CD1-CE2 3.46Å; Y13-F229 HydrophobicContact CD1-CE2 3.46Å; Y13-F229 VanDerWaalsContact CD1-CE2 3.46Å; Y13-F229 HydrophobicContact CD1-CG 4.34Å; Y13-F229 HydrophobicContact CD1-CZ 4.31Å; Y13-F229 HydrophobicContact CE1-CD2 4.02Å; Y13-F229 AromaticContact CE1-CE2 3.76Å; Y13-F229 HydrophobicContact CE1-CE2 3.76Å; R16-F229 PolarHBondContact NH2-O 3.29Å; I65-F229 HydrophobicContact CG2-CE1 4.43Å; I65-F229 HydrophobicContact CG2-CZ 3.88Å; Y69-F229 HydrophobicContact CD2-CE2 4.24Å; Y69-F229 HydrophobicContact CD2-CZ 4.19Å; Y69-F229 HydrophobicContact CE2-CZ 4.38Å; P227-F229 HydrophobicContact CB-CD1 4.22Å; P227-F229 HydrophobicContact CB-CD2 4.16Å; P227-F229 HydrophobicContact CB-CE1 3.68Å; P227-F229 HydrophobicContact CB-CE2 3.59Å; P227-F229 HydrophobicContact CB-CG 4.45Å; P227-F229 HydrophobicContact CB-CZ 3.34Å; P227-F229 HydrophobicContact CG-CE2 4.08Å; P227-F229 HydrophobicContact CG-CZ 4.18Å; P227-F229 PolarHBondContact O-N 3.38Å; P227-F229 VanDerWaalsContact O-N 3.15Å
230A87.7Confident91.2Very high58 Ų5865.5 Ų65.548%0.47932%0.324SS..THydrogen-bonded Turntrans-92.6-11.6179.200000113.7P227 P228 K232P227-A230 HydrophobicContact CB-CB 4.46Å; P227-A230 HydrophobicContact CG-CB 3.82Å; P227-A230 PolarHBondContact O-N 3.43Å; P228-A230 VanDerWaalsContact C-N 3.32Å; A230-K232 PolarHBondContact O-N 3.39Å
231L89.2Confident90.9Very high15 Ų1569.4 Ų69.48%0.07935%0.348CS..  trans-69.3127.7-177.6-56.4179.7000111.2R16 W226 V288 P290R16-L231 PolarHBondContact NH1-O 3.32Å; R16-L231 PolarHBondContact NH2-O 3.03Å; R16-L231 VanDerWaalsContact NH2-O 3.15Å; W226-L231 HydrophobicContact CD2-CD2 3.85Å; W226-L231 HydrophobicContact CG-CD2 4.09Å; W226-L231 HydrophobicContact CZ2-CD2 4Å; L231-V288 HydrophobicContact CD1-CG2 3.83Å; L231-P290 HydrophobicContact CB-CG 4.41Å
232K85.2Confident90.6Very high154 Ų15471.9 Ų71.967%0.6737%0.367SS*.  trans-90.7140.6179.6-63.8-177.3-177.9179.20110.4A230 I235 H289A230-K232 PolarHBondContact O-N 3.39Å; K232-I235 HydrophobicContact CB-CG2 4.29Å; K232-H289 PolarHBondContact O-CE1 3.33Å
233K83.5Confident90.2Very high149 Ų14972.6 Ų72.665%0.64837%0.37SS*.SBendtrans-73.9-34.9174.8-169.7-179.5177.5-173.10111.9I235 P290 S291K233-I235 PolarHBondContact O-N 3.45Å; K233-P290 HydrophobicContact CB-CB 4.44Å; K233-P290 HydrophobicContact CB-CG 4.37Å; K233-P290 HydrophobicContact CG-CB 4.48Å; K233-S291 WeakPolarHBondContact CA-OG 3.5Å; K233-S291 PolarHBondContact O-OG 3.16Å
234D84.4Confident90Very high150 Ų15073.1 Ų73.180%0.80237%0.373SS*.  trans-96.679.1-173.4-51.3-44.4000110.1
235I87.2Confident89.9Confident51 Ų5176.8 Ų76.826%0.26239%0.393SS..  trans-115.8160.6171.958158.2000110.3K232 K233 I239 V240 L243 H289K232-I235 HydrophobicContact CB-CG2 4.29Å; K233-I235 PolarHBondContact O-N 3.45Å; I235-I239 HydrophobicContact CD1-CB 4.33Å; I235-I239 HydrophobicContact CD1-CG2 3.84Å; I235-V240 HydrophobicContact CD1-CG2 3.54Å; I235-V240 HydrophobicContact CG1-CG2 3.58Å; I235-L243 HydrophobicContact CD1-CD1 4.24Å; I235-H289 WeakPolarHBondContact CD1-CE1 3.23Å; I235-H289 WeakPolarHBondContact CD1-NE2 3.48Å
236S89.9Confident89.7Confident61 Ų6175.9 Ų75.943%0.42739%0.388SS..  trans-61.7142.4-176.980.40000111.5K238 I239 V240S236-K238 PolarHBondContact O-N 2.82Å; S236-I239 PolarHBondContact O-N 2.95Å; S236-I239 VanDerWaalsContact O-N 3.07Å; S236-I239 WeakPolarHBondContact OG-CD1 3.2Å; S236-I239 VanDerWaalsContact OG-CG1 3.24Å; S236-I239 WeakPolarHBondContact OG-CG1 3.35Å; S236-I239 PolarHBondContact OG-N 3.46Å; S236-V240 PolarHBondContact O-N 3.46Å; S236-V240 VanDerWaalsContact O-N 3.12Å
237K87Confident89.6Confident187 Ų18772.7 Ų72.781%0.81338%0.376SS*.Hα-helixtrans-56-36.2178.3-70.1-175.9179.8178.80112.2I239 V240 V241K237-I239 PolarHBondContact O-N 3.37Å; K237-V240 PolarHBondContact O-N 3.02Å; K237-V241 VanDerWaalsContact O-CG2 3.31Å; K237-V241 WeakPolarHBondContact O-CG2 3.12Å; K237-V241 PolarHBondContact O-N 3.3Å
238K91.3Very high89.7Confident177 Ų17775.4 Ų75.477%0.7739%0.389SS*.Hα-helixtrans-59.1-46.4176.7-68.9-174178.1-177.50111.5S236 V241 S242S236-K238 PolarHBondContact O-N 2.82Å; K238-V241 PolarHBondContact O-N 3.08Å; K238-S242 PolarHBondContact O-N 3Å; K238-S242 PolarHBondContact O-OG 3.34Å; K238-S242 VanDerWaalsContact O-OG 3.14Å
239I89.5Confident89.9Confident87 Ų8778.1 Ų78.145%0.44641%0.408SS..Hα-helixtrans-63.5-44.9177.6-65.4166.8000110.2I235 S236 K237 V241 S242 L243I235-I239 HydrophobicContact CD1-CB 4.33Å; I235-I239 HydrophobicContact CD1-CG2 3.84Å; S236-I239 PolarHBondContact O-N 2.95Å; S236-I239 VanDerWaalsContact O-N 3.07Å; S236-I239 WeakPolarHBondContact OG-CD1 3.2Å; S236-I239 VanDerWaalsContact OG-CG1 3.24Å; S236-I239 WeakPolarHBondContact OG-CG1 3.35Å; S236-I239 PolarHBondContact OG-N 3.46Å; K237-I239 PolarHBondContact O-N 3.37Å; I239-V241 VanDerWaalsContact C-N 3.33Å; I239-V241 PolarHBondContact O-N 2.94Å; I239-S242 PolarHBondContact O-N 3.39Å; I239-L243 HydrophobicContact CG2-CD1 3.84Å; I239-L243 HydrophobicContact CG2-CG 4.17Å; I239-L243 VanDerWaalsContact O-CB 3.24Å; I239-L243 WeakPolarHBondContact O-CB 3.4Å; I239-L243 VanDerWaalsContact O-CG 3.22Å; I239-L243 WeakPolarHBondContact O-CG 3.31Å; I239-L243 PolarHBondContact O-N 3.46Å
240V87.5Confident90.2Very high18 Ų1878.1 Ų78.111%0.10941%0.41CS..Hα-helixtrans-58.1-45.4177.3179.90000111.3I235 S236 K237 L243 D244 S291I235-V240 HydrophobicContact CD1-CG2 3.54Å; I235-V240 HydrophobicContact CG1-CG2 3.58Å; S236-V240 PolarHBondContact O-N 3.46Å; S236-V240 VanDerWaalsContact O-N 3.12Å; K237-V240 PolarHBondContact O-N 3.02Å; V240-L243 WeakPolarHBondContact O-CB 3.32Å; V240-L243 PolarHBondContact O-N 2.92Å; V240-D244 WeakPolarHBondContact O-CB 3.28Å; V240-D244 PolarHBondContact O-N 3.2Å; V240-S291 WeakPolarHBondContact CG1-O 3.43Å
241V91.6Very high90.7Very high82 Ų8276.5 Ų76.550%0.49739%0.392SS..Hα-helixtrans-64.4-46.8179.4170.80000111.2K237 K238 I239 L243 D244 I245K237-V241 VanDerWaalsContact O-CG2 3.31Å; K237-V241 WeakPolarHBondContact O-CG2 3.12Å; K237-V241 PolarHBondContact O-N 3.3Å; K238-V241 PolarHBondContact O-N 3.08Å; I239-V241 VanDerWaalsContact C-N 3.33Å; I239-V241 PolarHBondContact O-N 2.94Å; V241-L243 VanDerWaalsContact C-N 3.29Å; V241-L243 PolarHBondContact O-N 2.97Å; V241-D244 PolarHBondContact O-N 3.33Å; V241-I245 HydrophobicContact CG1-CD1 3.86Å; V241-I245 HydrophobicContact CG1-CG1 4.45Å; V241-I245 VanDerWaalsContact O-CG1 3.31Å; V241-I245 WeakPolarHBondContact O-CG1 3.42Å; V241-I245 PolarHBondContact O-N 3.47Å
242S91.8Very high91Very high67 Ų6778.1 Ų78.147%0.46941%0.408SS..Hα-helixtrans-59.5-42.8176.5-62.40000111.8K238 I239 I245 I246K238-S242 PolarHBondContact O-N 3Å; K238-S242 PolarHBondContact O-OG 3.34Å; K238-S242 VanDerWaalsContact O-OG 3.14Å; I239-S242 PolarHBondContact O-N 3.39Å; S242-I245 PolarHBondContact O-N 3.3Å; S242-I246 WeakPolarHBondContact O-CD1 3.46Å; S242-I246 VanDerWaalsContact O-CG1 3.26Å; S242-I246 WeakPolarHBondContact O-CG1 3.5Å; S242-I246 PolarHBondContact O-N 3.37Å; S242-I246 VanDerWaalsContact O-N 3.11Å
243L89.5Confident91.6Very high32 Ų3274.3 Ų74.317%0.16840%0.398CS..Hα-helixtrans-60.5-52.9175-79-179.1000111.1W226 I235 I239 V240 V241 I245 I246 G247 I286W226-L243 HydrophobicContact CH2-CD1 4.23Å; W226-L243 HydrophobicContact CH2-CD2 4.31Å; W226-L243 HydrophobicContact CZ2-CD1 4.15Å; W226-L243 HydrophobicContact CZ2-CD2 4.44Å; I235-L243 HydrophobicContact CD1-CD1 4.24Å; I239-L243 HydrophobicContact CG2-CD1 3.84Å; I239-L243 HydrophobicContact CG2-CG 4.17Å; I239-L243 VanDerWaalsContact O-CB 3.24Å; I239-L243 WeakPolarHBondContact O-CB 3.4Å; I239-L243 VanDerWaalsContact O-CG 3.22Å; I239-L243 WeakPolarHBondContact O-CG 3.31Å; I239-L243 PolarHBondContact O-N 3.46Å; V240-L243 WeakPolarHBondContact O-CB 3.32Å; V240-L243 PolarHBondContact O-N 2.92Å; V241-L243 VanDerWaalsContact C-N 3.29Å; V241-L243 PolarHBondContact O-N 2.97Å; L243-I245 VanDerWaalsContact C-N 3.32Å; L243-I245 PolarHBondContact O-N 3.44Å; L243-I246 PolarHBondContact O-N 2.52Å; L243-I246 VanDerWaalsContact O-N 3.16Å; L243-G247 PolarHBondContact O-N 3.11Å; L243-I286 HydrophobicContact CB-CD1 3.48Å; L243-I286 VanDerWaalsContact CB-CD1 3.48Å; L243-I286 HydrophobicContact CD2-CD1 3.72Å; L243-I286 HydrophobicContact CG-CD1 4.07Å; L243-I286 VanDerWaalsContact O-CD1 3.31Å; L243-I286 WeakPolarHBondContact O-CD1 3.44Å; L243-I286 WeakPolarHBondContact O-CG1 3.45Å
244D92.9Very high92.2Very high12 Ų1267.5 Ų67.56%0.06437%0.368CS..Hα-helixtrans-57.6-42.3178.6-82.8-24.2000111.9V240 V241 G247 I248 I286 S292 L293 F294V240-D244 WeakPolarHBondContact O-CB 3.28Å; V240-D244 PolarHBondContact O-N 3.2Å; V241-D244 PolarHBondContact O-N 3.33Å; D244-G247 PolarHBondContact O-N 3.11Å; D244-I248 HydrophobicContact CB-CD1 4.37Å; D244-I248 VanDerWaalsContact O-CB 3.24Å; D244-I248 WeakPolarHBondContact O-CB 3.4Å; D244-I248 WeakPolarHBondContact O-CD1 3.28Å; D244-I248 WeakPolarHBondContact O-CG1 3.37Å; D244-I248 PolarHBondContact O-N 2.99Å; D244-I286 WeakPolarHBondContact OD1-CG2 3.19Å; D244-S292 VanDerWaalsContact OD1-CB 3.26Å; D244-S292 WeakPolarHBondContact OD1-CB 3.24Å; D244-S292 PolarHBondContact OD1-OG 2.94Å; D244-L293 PolarHBondContact OD1-N 3.4Å; D244-L293 PolarHBondContact OD2-N 3.38Å; D244-F294 PolarHBondContact OD1-N 2.72Å
245I95.1Very high92.8Very high100 Ų10062.2 Ų62.251%0.51334%0.339SS..Hα-helixtrans-58.2-51.1175.3-69.9166.9000110.5V241 S242 L243 G247 I248 S249V241-I245 HydrophobicContact CG1-CD1 3.86Å; V241-I245 HydrophobicContact CG1-CG1 4.45Å; V241-I245 VanDerWaalsContact O-CG1 3.31Å; V241-I245 WeakPolarHBondContact O-CG1 3.42Å; V241-I245 PolarHBondContact O-N 3.47Å; S242-I245 PolarHBondContact O-N 3.3Å; L243-I245 VanDerWaalsContact C-N 3.32Å; L243-I245 PolarHBondContact O-N 3.44Å; I245-G247 PolarHBondContact O-N 3.11Å; I245-I248 PolarHBondContact O-N 2.85Å; I245-S249 VanDerWaalsContact O-CB 3.31Å; I245-S249 WeakPolarHBondContact O-CB 3.23Å; I245-S249 PolarHBondContact O-N 3.41Å; I245-S249 PolarHBondContact O-OG 3.03Å
246I92.9Very high93.3Very high85 Ų8563.4 Ų63.444%0.43635%0.349SS..Hα-helixtrans-60.8-45.1-178.7-66.8165.3000111S242 L243 G250 F282S242-I246 WeakPolarHBondContact O-CD1 3.46Å; S242-I246 VanDerWaalsContact O-CG1 3.26Å; S242-I246 WeakPolarHBondContact O-CG1 3.5Å; S242-I246 PolarHBondContact O-N 3.37Å; S242-I246 VanDerWaalsContact O-N 3.11Å; L243-I246 PolarHBondContact O-N 2.52Å; L243-I246 VanDerWaalsContact O-N 3.16Å; I246-G250 PolarHBondContact O-N 3.13Å; I246-F282 HydrophobicContact CG2-CB 3.9Å; I246-F282 HydrophobicContact CG2-CD1 3.66Å; I246-F282 HydrophobicContact CG2-CE1 4.41Å; I246-F282 HydrophobicContact CG2-CG 3.85Å
247G93.2Very high93.6Very high0 Ų061.7 Ų61.70%034%0.335CS..Hα-helixtrans-66.8-42.5179.100000113.4L243 D244 I245 G250 F251L243-G247 PolarHBondContact O-N 3.11Å; D244-G247 PolarHBondContact O-N 3.11Å; I245-G247 PolarHBondContact O-N 3.11Å; G247-G250 PolarHBondContact O-N 3.09Å; G247-F251 WeakPolarHBondContact O-CB 3.43Å; G247-F251 PolarHBondContact O-N 2.81Å
248I95.5Very high94.1Very high81 Ų8153.1 Ų53.142%0.41530%0.297SS..Hα-helixtrans-66.2-42.7177-69.4166000110.3D244 I245 F251 A252 F294D244-I248 HydrophobicContact CB-CD1 4.37Å; D244-I248 VanDerWaalsContact O-CB 3.24Å; D244-I248 WeakPolarHBondContact O-CB 3.4Å; D244-I248 WeakPolarHBondContact O-CD1 3.28Å; D244-I248 WeakPolarHBondContact O-CG1 3.37Å; D244-I248 PolarHBondContact O-N 2.99Å; I245-I248 PolarHBondContact O-N 2.85Å; I248-F251 PolarHBondContact O-N 3.43Å; I248-A252 WeakPolarHBondContact O-CB 3.5Å; I248-A252 PolarHBondContact O-N 3.24Å; I248-F294 HydrophobicContact CD1-CB 4.32Å; I248-F294 HydrophobicContact CD1-CD2 4.32Å; I248-F294 HydrophobicContact CG1-CB 4.02Å; I248-F294 HydrophobicContact CG1-CD1 4.5Å; I248-F294 HydrophobicContact CG1-CD2 3.58Å; I248-F294 HydrophobicContact CG1-CE2 4.17Å; I248-F294 HydrophobicContact CG1-CG 3.78Å
249S95.2Very high94.3Very high65 Ų6551.1 Ų51.146%0.45529%0.289SS..Hα-helixtrans-60.9-45.2174.3-660000111.4I245 F251 A252 V253I245-S249 VanDerWaalsContact O-CB 3.31Å; I245-S249 WeakPolarHBondContact O-CB 3.23Å; I245-S249 PolarHBondContact O-N 3.41Å; I245-S249 PolarHBondContact O-OG 3.03Å; S249-F251 VanDerWaalsContact C-N 3.33Å; S249-F251 PolarHBondContact O-N 2.92Å; S249-A252 PolarHBondContact O-N 2.92Å; S249-V253 VanDerWaalsContact O-CG2 3.31Å; S249-V253 WeakPolarHBondContact O-CG2 3.12Å; S249-V253 PolarHBondContact O-N 2.94Å
250G95.1Very high94.5Very high9 Ų952.3 Ų52.39%0.09330%0.295CS..Hα-helixtrans-60.1-41.6174.400000112.6I246 G247 V253 L254I246-G250 PolarHBondContact O-N 3.13Å; G247-G250 PolarHBondContact O-N 3.09Å; G250-V253 PolarHBondContact O-N 3.31Å; G250-L254 PolarHBondContact O-N 3.05Å
251F96.7Very high94.8Very high24 Ų2451.6 Ų51.611%0.10529%0.291CS..Hα-helixtrans-66.3-43.1176.4-177.1-100.6000112.3L24 F27 G247 I248 S249 V253 L254 M255 I283 F294L24-F251 HydrophobicContact CD1-CD2 4.38Å; L24-F251 HydrophobicContact CD1-CE2 4.37Å; F27-F251 HydrophobicContact CB-CE2 4.39Å; F27-F251 HydrophobicContact CD1-CE2 4.46Å; F27-F251 AromaticContact CD1-CZ 3.91Å; F27-F251 HydrophobicContact CD1-CZ 3.91Å; F27-F251 AromaticContact CD2-CE2 3.88Å; F27-F251 HydrophobicContact CD2-CE2 3.88Å; F27-F251 AromaticContact CD2-CZ 3.8Å; F27-F251 HydrophobicContact CD2-CZ 3.8Å; F27-F251 AromaticContact CE1-CZ 3.9Å; F27-F251 HydrophobicContact CE1-CZ 3.9Å; F27-F251 HydrophobicContact CE2-CE2 4.25Å; F27-F251 AromaticContact CE2-CZ 3.79Å; F27-F251 HydrophobicContact CE2-CZ 3.79Å; F27-F251 AromaticContact CG-CE2 4Å; F27-F251 HydrophobicContact CG-CE2 4Å; F27-F251 AromaticContact CG-CZ 3.86Å; F27-F251 HydrophobicContact CG-CZ 3.86Å; F27-F251 AromaticContact CZ-CZ 3.85Å; F27-F251 HydrophobicContact CZ-CZ 3.85Å; G247-F251 WeakPolarHBondContact O-CB 3.43Å; G247-F251 PolarHBondContact O-N 2.81Å; I248-F251 PolarHBondContact O-N 3.43Å; S249-F251 VanDerWaalsContact C-N 3.33Å; S249-F251 PolarHBondContact O-N 2.92Å; F251-V253 VanDerWaalsContact C-N 3.34Å; F251-V253 PolarHBondContact O-N 3.16Å; F251-L254 PolarHBondContact O-N 3.04Å; F251-M255 HydrophobicContact CD1-CG 4.05Å; F251-M255 HydrophobicContact CE1-CG 3.65Å; F251-M255 HydrophobicContact CE1-SD 4.27Å; F251-M255 HydrophobicContact CE2-CE 4.06Å; F251-M255 HydrophobicContact CE2-CG 4.26Å; F251-M255 HydrophobicContact CE2-SD 4.18Å; F251-M255 HydrophobicContact CZ-CE 4.29Å; F251-M255 HydrophobicContact CZ-CG 3.77Å; F251-M255 HydrophobicContact CZ-SD 3.78Å; F251-M255 VanDerWaalsContact O-CG 3.32Å; F251-M255 WeakPolarHBondContact O-CG 3.43Å; F251-M255 PolarHBondContact O-N 2.99Å; F251-I283 HydrophobicContact CB-CD1 4.27Å; F251-I283 HydrophobicContact CB-CG1 4.34Å; F251-I283 HydrophobicContact CB-CG2 4.38Å; F251-I283 HydrophobicContact CD2-CG2 4.23Å; F251-F294 HydrophobicContact CB-CE1 4.19Å; F251-F294 HydrophobicContact CB-CZ 3.69Å; F251-F294 HydrophobicContact CD1-CE2 4.18Å; F251-F294 AromaticContact CD1-CZ 3.85Å; F251-F294 HydrophobicContact CD1-CZ 3.85Å; F251-F294 AromaticContact CD2-CZ 3.89Å; F251-F294 HydrophobicContact CD2-CZ 3.89Å; F251-F294 HydrophobicContact CE1-CZ 4.46Å; F251-F294 HydrophobicContact CE2-CZ 4.49Å; F251-F294 HydrophobicContact CG-CE1 4.37Å; F251-F294 HydrophobicContact CG-CE2 4.29Å; F251-F294 AromaticContact CG-CZ 3.52Å; F251-F294 HydrophobicContact CG-CZ 3.52Å
252A96.6Very high94.6Very high49 Ų4948.5 Ų48.541%0.40528%0.275SS..Hα-helixtrans-61.1-42.9175.300000111.3I248 S249 M255 T256I248-A252 WeakPolarHBondContact O-CB 3.5Å; I248-A252 PolarHBondContact O-N 3.24Å; S249-A252 PolarHBondContact O-N 2.92Å; A252-M255 PolarHBondContact O-N 3.38Å; A252-T256 PolarHBondContact O-N 2.64Å; A252-T256 PolarHBondContact O-OG1 3.12Å
253V96.4Very high94.3Very high75 Ų7546.1 Ų46.146%0.45526%0.258SS..Hα-helixtrans-59.6-48.6173.5170.30000110.7S249 G250 F251 M255 T256 L257S249-V253 VanDerWaalsContact O-CG2 3.31Å; S249-V253 WeakPolarHBondContact O-CG2 3.12Å; S249-V253 PolarHBondContact O-N 2.94Å; G250-V253 PolarHBondContact O-N 3.31Å; F251-V253 VanDerWaalsContact C-N 3.34Å; F251-V253 PolarHBondContact O-N 3.16Å; V253-M255 VanDerWaalsContact C-N 3.34Å; V253-M255 PolarHBondContact O-N 3.38Å; V253-T256 PolarHBondContact O-N 2.79Å; V253-L257 HydrophobicContact CG1-CD1 3.97Å; V253-L257 HydrophobicContact CG1-CG 4.35Å; V253-L257 VanDerWaalsContact O-CG 3.28Å; V253-L257 WeakPolarHBondContact O-CG 3.42Å; V253-L257 PolarHBondContact O-N 3.33Å
254L96.9Very high93.9Very high5 Ų548.5 Ų48.53%0.02627%0.268CS..Hα-helixtrans-58.7-45178-178.763.9000112G250 F251 L257 F258 I276 I283G250-L254 PolarHBondContact O-N 3.05Å; F251-L254 PolarHBondContact O-N 3.04Å; L254-L257 PolarHBondContact O-N 2.96Å; L254-F258 HydrophobicContact CD1-CD1 4.22Å; L254-F258 HydrophobicContact CD1-CE1 3.61Å; L254-F258 HydrophobicContact CD1-CZ 4.36Å; L254-F258 HydrophobicContact CG-CD1 4.44Å; L254-F258 HydrophobicContact CG-CE1 3.9Å; L254-F258 HydrophobicContact CG-CZ 4.29Å; L254-F258 VanDerWaalsContact O-CD1 3.29Å; L254-F258 WeakPolarHBondContact O-CD1 3.17Å; L254-F258 PolarHBondContact O-N 3.03Å; L254-F258 VanDerWaalsContact O-N 3.08Å; L254-I276 HydrophobicContact CD1-CG2 3.99Å; L254-I283 HydrophobicContact CB-CD1 4Å; L254-I283 HydrophobicContact CD2-CD1 3.73Å
255M97Very high93.7Very high39 Ų3950.6 Ų50.619%0.19228%0.279CS..Hα-helixtrans-64.4-40.7177.4-66-59.391.800111.8F27 F251 A252 V253 L257 F258 F259F27-M255 HydrophobicContact CD1-SD 4.18Å; F251-M255 HydrophobicContact CD1-CG 4.05Å; F251-M255 HydrophobicContact CE1-CG 3.65Å; F251-M255 HydrophobicContact CE1-SD 4.27Å; F251-M255 HydrophobicContact CE2-CE 4.06Å; F251-M255 HydrophobicContact CE2-CG 4.26Å; F251-M255 HydrophobicContact CE2-SD 4.18Å; F251-M255 HydrophobicContact CZ-CE 4.29Å; F251-M255 HydrophobicContact CZ-CG 3.77Å; F251-M255 HydrophobicContact CZ-SD 3.78Å; F251-M255 VanDerWaalsContact O-CG 3.32Å; F251-M255 WeakPolarHBondContact O-CG 3.43Å; F251-M255 PolarHBondContact O-N 2.99Å; A252-M255 PolarHBondContact O-N 3.38Å; V253-M255 VanDerWaalsContact C-N 3.34Å; V253-M255 PolarHBondContact O-N 3.38Å; M255-L257 VanDerWaalsContact C-N 3.35Å; M255-L257 PolarHBondContact O-N 3.29Å; M255-F258 HydrophobicContact CE-CD2 3.79Å; M255-F258 HydrophobicContact CE-CE2 3.63Å; M255-F258 HydrophobicContact CE-CG 4.37Å; M255-F258 HydrophobicContact CE-CZ 4.04Å; M255-F258 WeakPolarHBondContact O-CB 3.21Å; M255-F258 PolarHBondContact O-N 3.29Å; M255-F258 HydrophobicContact SD-CD2 4.45Å; M255-F259 WeakPolarHBondContact O-CD2 3.34Å
256T97.4Very high93.4Very high76 Ų7650.5 Ų50.547%0.46628%0.276SS..Hα-helixtrans-60.8-44.5173.7-61.90000111.3A252 V253 F258 F259 I260A252-T256 PolarHBondContact O-N 2.64Å; A252-T256 PolarHBondContact O-OG1 3.12Å; V253-T256 PolarHBondContact O-N 2.79Å; T256-F258 PolarHBondContact O-N 3.37Å; T256-F259 PolarHBondContact O-N 2.69Å; T256-I260 HydrophobicContact CG2-CD1 4.05Å; T256-I260 WeakPolarHBondContact O-CG1 3.32Å; T256-I260 PolarHBondContact O-N 3.09Å
257L97Very high93.5Very high26 Ų2651.7 Ų51.714%0.13628%0.276CS..Hα-helixtrans-61.7-31.9178.2-67.6172000112.5L47 V253 L254 M255 F259 I260 V261 W267 I276L47-L257 HydrophobicContact CD1-CB 4.03Å; V253-L257 HydrophobicContact CG1-CD1 3.97Å; V253-L257 HydrophobicContact CG1-CG 4.35Å; V253-L257 VanDerWaalsContact O-CG 3.28Å; V253-L257 WeakPolarHBondContact O-CG 3.42Å; V253-L257 PolarHBondContact O-N 3.33Å; L254-L257 PolarHBondContact O-N 2.96Å; M255-L257 VanDerWaalsContact C-N 3.35Å; M255-L257 PolarHBondContact O-N 3.29Å; L257-F259 PolarHBondContact O-N 2.95Å; L257-I260 HydrophobicContact CD2-CD1 4.3Å; L257-I260 HydrophobicContact CD2-CG1 4.41Å; L257-I260 PolarHBondContact O-N 2.98Å; L257-V261 HydrophobicContact CB-CG2 3.91Å; L257-V261 HydrophobicContact CD2-CG2 3.5Å; L257-V261 VanDerWaalsContact CD2-CG2 3.5Å; L257-V261 HydrophobicContact CG-CG2 4.28Å; L257-V261 WeakPolarHBondContact O-CB 3.1Å; L257-V261 WeakPolarHBondContact O-CG2 3.26Å; L257-V261 PolarHBondContact O-N 3.26Å; L257-V261 VanDerWaalsContact O-N 3.07Å; L257-W267 HydrophobicContact CD2-CH2 4.4Å; L257-I276 HydrophobicContact CD1-CD1 3.98Å; L257-I276 HydrophobicContact CD1-CG1 3.7Å; L257-I276 HydrophobicContact CD1-CG2 4.38Å
258F96.2Very high93.5Very high6 Ų651.7 Ų51.73%0.02628%0.276CS..Hα-helixtrans-60.8-26.7173.4-76.312.4000113L42 S43 G44 L47 L254 M255 T256L42-F258 CarbonylContact C-O 3.46Å; L42-F258 HydrophobicContact CD1-CB 3.77Å; L42-F258 WeakPolarHBondContact CD1-O 3.46Å; L42-F258 HydrophobicContact CD2-CB 4.22Å; L42-F258 HydrophobicContact CD2-CD2 4.06Å; L42-F258 HydrophobicContact CG-CB 3.94Å; L42-F258 WeakPolarHBondContact CG-O 3.45Å; S43-F258 PolarHBondContact N-O 2.84Å; G44-F258 WeakPolarHBondContact CA-O 3.5Å; G44-F258 PolarHBondContact N-O 2.95Å; G44-F258 WeakPolarHBondContact O-CD1 3.48Å; L47-F258 HydrophobicContact CB-CD1 4.03Å; L47-F258 HydrophobicContact CB-CE1 3.65Å; L47-F258 HydrophobicContact CD1-CD1 4.32Å; L254-F258 HydrophobicContact CD1-CD1 4.22Å; L254-F258 HydrophobicContact CD1-CE1 3.61Å; L254-F258 HydrophobicContact CD1-CZ 4.36Å; L254-F258 HydrophobicContact CG-CD1 4.44Å; L254-F258 HydrophobicContact CG-CE1 3.9Å; L254-F258 HydrophobicContact CG-CZ 4.29Å; L254-F258 VanDerWaalsContact O-CD1 3.29Å; L254-F258 WeakPolarHBondContact O-CD1 3.17Å; L254-F258 PolarHBondContact O-N 3.03Å; L254-F258 VanDerWaalsContact O-N 3.08Å; M255-F258 HydrophobicContact CE-CD2 3.79Å; M255-F258 HydrophobicContact CE-CE2 3.63Å; M255-F258 HydrophobicContact CE-CG 4.37Å; M255-F258 HydrophobicContact CE-CZ 4.04Å; M255-F258 WeakPolarHBondContact O-CB 3.21Å; M255-F258 PolarHBondContact O-N 3.29Å; M255-F258 HydrophobicContact SD-CD2 4.45Å; T256-F258 PolarHBondContact O-N 3.37Å
259F95.8Very high93.4Very high135 Ų13547.9 Ų47.959%0.59226%0.256SS*.Hα-helixtrans-93.2-26.7179.4-71.8-79.5000114.6L42 M255 T256 L257L42-F259 HydrophobicContact CD1-CD1 3.62Å; L42-F259 HydrophobicContact CD1-CD2 4.07Å; L42-F259 HydrophobicContact CD1-CE1 3.51Å; L42-F259 HydrophobicContact CD1-CE2 3.96Å; L42-F259 HydrophobicContact CD1-CG 3.9Å; L42-F259 HydrophobicContact CD1-CZ 3.68Å; M255-F259 WeakPolarHBondContact O-CD2 3.34Å; T256-F259 PolarHBondContact O-N 2.69Å; L257-F259 PolarHBondContact O-N 2.95Å
260I93.9Very high93.4Very high112 Ų11248.5 Ų48.557%0.57425%0.254SS*.Hα-helixtrans-109.9-21.8-169.668.8173.4000114.4T256 L257T256-I260 HydrophobicContact CG2-CD1 4.05Å; T256-I260 WeakPolarHBondContact O-CG1 3.32Å; T256-I260 PolarHBondContact O-N 3.09Å; L257-I260 HydrophobicContact CD2-CD1 4.3Å; L257-I260 HydrophobicContact CD2-CG1 4.41Å; L257-I260 PolarHBondContact O-N 2.98Å
261V93.3Very high93.4Very high3 Ų348.4 Ų48.42%0.01825%0.254CS..  trans-87.6127.5-176.2-179.30000109.5S43 G44 F46 L47 L257 W267 I268S43-V261 CarbonylContact C-O 3.45Å; S43-V261 WeakPolarHBondContact CB-O 3.49Å; S43-V261 PolarHBondContact OG-O 3.43Å; G44-V261 WeakPolarHBondContact CA-O 3.44Å; G44-V261 PolarHBondContact N-O 3.24Å; F46-V261 HydrophobicContact CZ-CG1 4.21Å; L47-V261 HydrophobicContact CD1-CB 4.25Å; L47-V261 HydrophobicContact CD1-CG1 4.41Å; L47-V261 HydrophobicContact CD1-CG2 4.46Å; L257-V261 HydrophobicContact CB-CG2 3.91Å; L257-V261 HydrophobicContact CD2-CG2 3.5Å; L257-V261 VanDerWaalsContact CD2-CG2 3.5Å; L257-V261 HydrophobicContact CG-CG2 4.28Å; L257-V261 WeakPolarHBondContact O-CB 3.1Å; L257-V261 WeakPolarHBondContact O-CG2 3.26Å; L257-V261 PolarHBondContact O-N 3.26Å; L257-V261 VanDerWaalsContact O-N 3.07Å; V261-W267 HydrophobicContact CG1-CZ2 4.11Å; V261-W267 HydrophobicContact CG2-CH2 4.45Å; V261-W267 HydrophobicContact CG2-CZ2 3.7Å; V261-I268 HydrophobicContact CG1-CG2 3.67Å
262G89.1Confident93.4Very high17 Ų1747.3 Ų47.318%0.17525%0.249CC..  trans-91.7155.8169.600000111.8Q264 D265G262-Q264 PolarHBondContact O-N 3.08Å; G262-D265 PolarHBondContact N-OD2 3.32Å; G262-D265 VanDerWaalsContact O-CB 3.31Å; G262-D265 WeakPolarHBondContact O-CB 3.29Å; G262-D265 PolarHBondContact O-N 3.16Å
263D84.1Confident93.4Very high18 Ų1845 Ų4510%0.09623%0.23CC..THydrogen-bonded Turntrans-72-17.3175.156.520.4000113.9Y35 F46 F137 Y269Y35-D263 PolarHBondContact OH-OD2 3.13Å; F46-D263 HydrophobicContact CD1-CB 4.06Å; F46-D263 HydrophobicContact CE1-CB 3.72Å; F46-D263 HydrophobicContact CZ-CB 4.1Å; F137-D263 HydrophobicContact CD1-CB 3.48Å; F137-D263 VanDerWaalsContact CD1-CB 3.48Å; F137-D263 VanDerWaalsContact CD1-CG 3.49Å; F137-D263 WeakPolarHBondContact CD1-OD2 3.11Å; F137-D263 HydrophobicContact CE1-CB 3.39Å; F137-D263 HydrophobicContact CG-CB 4.44Å; F137-D263 HydrophobicContact CZ-CB 4.31Å; D263-Y269 WeakPolarHBondContact O-CE2 3.39Å; D263-Y269 PolarHBondContact O-OH 3.19Å
264Q82.4Confident93.5Very high81 Ų8142.7 Ų42.738%0.37921%0.213SC..THydrogen-bonded Turntrans-87.8-2.9173-55.9-48.1-47.600113.9G262 Q266G262-Q264 PolarHBondContact O-N 3.08Å; Q264-Q266 PolarHBondContact O-N 3.49Å; Q264-Q266 PolarHBondContact O-NE2 3.43Å
265D88.2Confident93.5Very high56 Ų5647.7 Ų47.730%0.29924%0.239SC..  trans-68.8105.6-176.7-78.5-12.2000111.4G262 W267 I268G262-D265 PolarHBondContact N-OD2 3.32Å; G262-D265 VanDerWaalsContact O-CB 3.31Å; G262-D265 WeakPolarHBondContact O-CB 3.29Å; G262-D265 PolarHBondContact O-N 3.16Å; D265-W267 PolarHBondContact O-N 2.98Å; D265-I268 HydrophobicContact CB-CG2 4.15Å; D265-I268 WeakPolarHBondContact O-CG1 3.36Å; D265-I268 PolarHBondContact O-N 3.14Å
266Q88.7Confident93.5Very high98 Ų9846 Ų4646%0.45823%0.231SC..Hα-helixtrans-57-28.4-172.7-57.9-62.4-62.600114.2H196 Q264 I268 Y269 N270H196-Q266 PolarHBondContact CE1-OE1 3.28Å; H196-Q266 PolarHBondContact NE2-OE1 3Å; Q264-Q266 PolarHBondContact O-N 3.49Å; Q264-Q266 PolarHBondContact O-NE2 3.43Å; Q266-I268 PolarHBondContact O-N 2.95Å; Q266-Y269 PolarHBondContact O-N 3.09Å; Q266-N270 PolarHBondContact O-N 3.14Å; Q266-N270 PolarHBondContact O-ND2 2.76Å
267W94Very high93.5Very high111 Ų11142.4 Ų42.442%0.4221%0.208SC..Hα-helixtrans-64.8-25.2-179.474.9-90.9000112.8L257 V261 D265 Y269 N270 G272 I276L257-W267 HydrophobicContact CD2-CH2 4.4Å; V261-W267 HydrophobicContact CG1-CZ2 4.11Å; V261-W267 HydrophobicContact CG2-CH2 4.45Å; V261-W267 HydrophobicContact CG2-CZ2 3.7Å; D265-W267 PolarHBondContact O-N 2.98Å; W267-Y269 VanDerWaalsContact C-N 3.34Å; W267-Y269 PolarHBondContact O-N 3.03Å; W267-N270 CarbonylContact O-C 3.6Å; W267-N270 PolarHBondContact O-N 3.41Å; W267-G272 PolarHBondContact O-N 3.09Å; W267-I276 HydrophobicContact CH2-CD1 3.92Å; W267-I276 HydrophobicContact CH2-CG1 4.43Å; W267-I276 HydrophobicContact CZ3-CD1 4.49Å
268I94.1Very high93.4Very high0 Ų046 Ų460%022%0.223CC..Iπ-helixtrans-67.3-37.6179.576.6-165.5000111.5F46 V261 D265 Q266 G272 F273F46-I268 HydrophobicContact CE2-CD1 4.16Å; F46-I268 HydrophobicContact CZ-CD1 3.95Å; V261-I268 HydrophobicContact CG1-CG2 3.67Å; D265-I268 HydrophobicContact CB-CG2 4.15Å; D265-I268 WeakPolarHBondContact O-CG1 3.36Å; D265-I268 PolarHBondContact O-N 3.14Å; Q266-I268 PolarHBondContact O-N 2.95Å; I268-G272 PolarHBondContact O-N 3.02Å; I268-G272 VanDerWaalsContact O-N 3.12Å; I268-F273 HydrophobicContact CB-CD2 4.3Å; I268-F273 HydrophobicContact CB-CE2 4.18Å; I268-F273 HydrophobicContact CB-CZ 4.43Å; I268-F273 HydrophobicContact CD1-CE2 4.12Å; I268-F273 HydrophobicContact CD1-CZ 3.91Å; I268-F273 HydrophobicContact CG1-CD2 4.25Å; I268-F273 HydrophobicContact CG1-CE2 3.69Å; I268-F273 HydrophobicContact CG1-CZ 3.97Å; I268-F273 VanDerWaalsContact O-CD2 3.25Å; I268-F273 WeakPolarHBondContact O-CD2 3.4Å; I268-F273 PolarHBondContact O-N 3.46Å
269Y94.1Very high93.4Very high0 Ų046.9 Ų46.90%023%0.231CC..Iπ-helixtrans-77.8-23.7177.3-55.2-76.7000112.5F137 N202 V205 D263 Q266 W267 G271 F273F137-Y269 VanDerWaalsContact CE2-OH 3.31Å; F137-Y269 WeakPolarHBondContact CE2-OH 3.42Å; F137-Y269 WeakPolarHBondContact CZ-OH 3.27Å; N202-Y269 HydrophobicContact CB-CE1 3.87Å; N202-Y269 HydrophobicContact CB-CE2 4.03Å; N202-Y269 VanDerWaalsContact CG-CE2 3.42Å; N202-Y269 WeakPolarHBondContact ND2-CE2 3.39Å; V205-Y269 HydrophobicContact CG2-CD1 3.54Å; V205-Y269 HydrophobicContact CG2-CE1 4.05Å; V205-Y269 HydrophobicContact CG2-CG 4.46Å; D263-Y269 WeakPolarHBondContact O-CE2 3.39Å; D263-Y269 PolarHBondContact O-OH 3.19Å; Q266-Y269 PolarHBondContact O-N 3.09Å; W267-Y269 VanDerWaalsContact C-N 3.34Å; W267-Y269 PolarHBondContact O-N 3.03Å; Y269-G271 PolarHBondContact O-N 3.04Å; Y269-F273 AromaticContact CD1-CE2 3.91Å; Y269-F273 HydrophobicContact CD1-CE2 3.91Å; Y269-F273 AromaticContact CE1-CE2 3.82Å; Y269-F273 HydrophobicContact CE1-CE2 3.82Å
270N94.6Very high93.5Very high78 Ų7840.4 Ų40.442%0.41720%0.203SC..Iπ-helixtrans-88.425.6175.2-67.4-59.3000113.4Q266 W267Q266-N270 PolarHBondContact O-N 3.14Å; Q266-N270 PolarHBondContact O-ND2 2.76Å; W267-N270 CarbonylContact O-C 3.6Å; W267-N270 PolarHBondContact O-N 3.41Å
271G95.5Very high93.6Very high8 Ų835.9 Ų35.98%0.08218%0.18CC..Iπ-helixtrans112.9-5.417500000115.5Y269 F273 Y274 I275Y269-G271 PolarHBondContact O-N 3.04Å; G271-F273 VanDerWaalsContact C-N 3.35Å; G271-F273 PolarHBondContact O-N 3.21Å; G271-Y274 WeakPolarHBondContact O-CB 3.43Å; G271-Y274 PolarHBondContact O-N 2.71Å; G271-Y274 VanDerWaalsContact O-N 3.07Å; G271-I275 PolarHBondContact O-N 3.43Å; G271-I275 VanDerWaalsContact O-N 3.12Å
272G96.4Very high93.7Very high1 Ų140 Ų401%0.0120%0.197CC..Iπ-helixtrans-59.5-40.3176.300000113.7W267 I268 Y274 I275 I276W267-G272 PolarHBondContact O-N 3.09Å; I268-G272 PolarHBondContact O-N 3.02Å; I268-G272 VanDerWaalsContact O-N 3.12Å; G272-Y274 PolarHBondContact O-N 2.99Å; G272-I275 PolarHBondContact O-N 3.39Å; G272-I275 VanDerWaalsContact O-N 3.13Å; G272-I276 VanDerWaalsContact O-CG1 3.22Å; G272-I276 WeakPolarHBondContact O-CG1 3.14Å; G272-I276 PolarHBondContact O-N 3.05Å
273F96.8Very high94.1Very high0 Ų039.1 Ų39.10%019%0.189CC..Hα-helixtrans-55.7-37.7173.6-78.3-59.4000112.8F46 L47 D50 M192 Y206 R212 I268 Y269 G271 S277F46-F273 HydrophobicContact CD2-CE1 4.35Å; F46-F273 AromaticContact CE2-CE1 3.81Å; F46-F273 HydrophobicContact CE2-CE1 3.81Å; F46-F273 AromaticContact CE2-CZ 3.9Å; F46-F273 HydrophobicContact CE2-CZ 3.9Å; L47-F273 HydrophobicContact CD2-CD1 4.03Å; L47-F273 HydrophobicContact CD2-CE1 3.76Å; D50-F273 WeakPolarHBondContact OD1-CD1 3.28Å; M192-F273 HydrophobicContact CE-CD2 4Å; M192-F273 HydrophobicContact CE-CE2 4.43Å; M192-F273 HydrophobicContact SD-CD2 3.94Å; Y206-F273 HydrophobicContact CD2-CE2 4.14Å; Y206-F273 AromaticContact CD2-CZ 3.74Å; Y206-F273 HydrophobicContact CD2-CZ 3.74Å; Y206-F273 HydrophobicContact CE2-CE1 4.08Å; Y206-F273 HydrophobicContact CE2-CE2 4.42Å; Y206-F273 AromaticContact CE2-CZ 3.59Å; Y206-F273 HydrophobicContact CE2-CZ 3.59Å; R212-F273 VanDerWaalsContact NH1-CD1 3.33Å; I268-F273 HydrophobicContact CB-CD2 4.3Å; I268-F273 HydrophobicContact CB-CE2 4.18Å; I268-F273 HydrophobicContact CB-CZ 4.43Å; I268-F273 HydrophobicContact CD1-CE2 4.12Å; I268-F273 HydrophobicContact CD1-CZ 3.91Å; I268-F273 HydrophobicContact CG1-CD2 4.25Å; I268-F273 HydrophobicContact CG1-CE2 3.69Å; I268-F273 HydrophobicContact CG1-CZ 3.97Å; I268-F273 VanDerWaalsContact O-CD2 3.25Å; I268-F273 WeakPolarHBondContact O-CD2 3.4Å; I268-F273 PolarHBondContact O-N 3.46Å; Y269-F273 AromaticContact CD1-CE2 3.91Å; Y269-F273 HydrophobicContact CD1-CE2 3.91Å; Y269-F273 AromaticContact CE1-CE2 3.82Å; Y269-F273 HydrophobicContact CE1-CE2 3.82Å; G271-F273 VanDerWaalsContact C-N 3.35Å; G271-F273 PolarHBondContact O-N 3.21Å; F273-S277 VanDerWaalsContact O-CB 3.22Å; F273-S277 WeakPolarHBondContact O-CB 3.43Å; F273-S277 PolarHBondContact O-N 2.9Å; F273-S277 PolarHBondContact O-OG 3.01Å
274Y97.6Very high94.7Very high26 Ų2638.3 Ų38.310%0.10218%0.184CC..Hα-helixtrans-68.6-44.5177.6-164.5-100.7000111.9S185 L186 L189 Q214 L218 G271 G272 S277 F278S185-Y274 WeakPolarHBondContact OG-CE2 3.24Å; L186-Y274 HydrophobicContact CD2-CE1 4.46Å; L189-Y274 HydrophobicContact CB-CD2 4.44Å; L189-Y274 HydrophobicContact CD2-CD1 4.1Å; L189-Y274 HydrophobicContact CD2-CD2 4.15Å; L189-Y274 HydrophobicContact CD2-CE1 4.49Å; L189-Y274 HydrophobicContact CD2-CE2 4.5Å; L189-Y274 HydrophobicContact CD2-CG 3.9Å; Q214-Y274 HydrophobicContact CB-CD2 3.95Å; Q214-Y274 HydrophobicContact CB-CE2 4.06Å; Q214-Y274 HydrophobicContact CG-CD2 4.38Å; L218-Y274 HydrophobicContact CD1-CD2 3.86Å; L218-Y274 HydrophobicContact CD1-CE1 4.48Å; L218-Y274 HydrophobicContact CD1-CE2 3.77Å; L218-Y274 HydrophobicContact CD1-CG 4.32Å; L218-Y274 HydrophobicContact CD2-CE1 4.41Å; L218-Y274 HydrophobicContact CD2-CE2 4.05Å; L218-Y274 HydrophobicContact CG-CD2 4.49Å; L218-Y274 HydrophobicContact CG-CE2 3.94Å; G271-Y274 WeakPolarHBondContact O-CB 3.43Å; G271-Y274 PolarHBondContact O-N 2.71Å; G271-Y274 VanDerWaalsContact O-N 3.07Å; G272-Y274 PolarHBondContact O-N 2.99Å; Y274-S277 PolarHBondContact O-N 3.36Å; Y274-F278 WeakPolarHBondContact O-CB 3.32Å; Y274-F278 PolarHBondContact O-N 3.19Å
275I96.8Very high95.3Very high111 Ų11135 Ų3557%0.56917%0.171SC*.Hα-helixtrans-62-45.2177.9-65.8169.2000110.6G271 G272 F278 A279G271-I275 PolarHBondContact O-N 3.43Å; G271-I275 VanDerWaalsContact O-N 3.12Å; G272-I275 PolarHBondContact O-N 3.39Å; G272-I275 VanDerWaalsContact O-N 3.13Å; I275-F278 WeakPolarHBondContact O-CB 3.39Å; I275-F278 PolarHBondContact O-N 3.4Å; I275-A279 PolarHBondContact O-N 3.44Å
276I96.8Very high95.6Very high4 Ų432.5 Ų32.52%0.02116%0.158CC..Hα-helixtrans-64.9-43.3178.2-62.5171.8000110.7L47 L254 L257 W267 G272 F278 A279 T280L47-I276 HydrophobicContact CD1-CD1 3.97Å; L47-I276 HydrophobicContact CD2-CD1 3.82Å; L254-I276 HydrophobicContact CD1-CG2 3.99Å; L257-I276 HydrophobicContact CD1-CD1 3.98Å; L257-I276 HydrophobicContact CD1-CG1 3.7Å; L257-I276 HydrophobicContact CD1-CG2 4.38Å; W267-I276 HydrophobicContact CH2-CD1 3.92Å; W267-I276 HydrophobicContact CH2-CG1 4.43Å; W267-I276 HydrophobicContact CZ3-CD1 4.49Å; G272-I276 VanDerWaalsContact O-CG1 3.22Å; G272-I276 WeakPolarHBondContact O-CG1 3.14Å; G272-I276 PolarHBondContact O-N 3.05Å; I276-F278 VanDerWaalsContact C-N 3.31Å; I276-F278 PolarHBondContact O-N 3.38Å; I276-A279 PolarHBondContact O-N 3.37Å; I276-T280 PolarHBondContact O-N 3.36Å; I276-T280 PolarHBondContact O-OG1 3.26Å
277S97.4Very high95.8Very high0 Ų028 Ų280%014%0.137CC..Hα-helixtrans-63.1-37.9175.4-65.20000111.9T215 F273 Y274 T280 L281T215-S277 VanDerWaalsContact CG2-OG 3.23Å; T215-S277 WeakPolarHBondContact CG2-OG 3.18Å; F273-S277 VanDerWaalsContact O-CB 3.22Å; F273-S277 WeakPolarHBondContact O-CB 3.43Å; F273-S277 PolarHBondContact O-N 2.9Å; F273-S277 PolarHBondContact O-OG 3.01Å; Y274-S277 PolarHBondContact O-N 3.36Å; S277-T280 WeakPolarHBondContact O-CB 3.45Å; S277-T280 PolarHBondContact O-N 3.09Å; S277-L281 PolarHBondContact O-N 3.08Å
278F96.6Very high95.8Very high101 Ų10123.2 Ų23.244%0.44312%0.12SC..Hα-helixtrans-64.6-43.9174.2-174.4-93.1000111.6L218 Y274 I275 I276 T280 L281 F282L218-F278 HydrophobicContact CD1-CB 4.48Å; Y274-F278 WeakPolarHBondContact O-CB 3.32Å; Y274-F278 PolarHBondContact O-N 3.19Å; I275-F278 WeakPolarHBondContact O-CB 3.39Å; I275-F278 PolarHBondContact O-N 3.4Å; I276-F278 VanDerWaalsContact C-N 3.31Å; I276-F278 PolarHBondContact O-N 3.38Å; F278-T280 PolarHBondContact O-N 3.26Å; F278-L281 HydrophobicContact CD2-CD1 3.93Å; F278-L281 HydrophobicContact CE2-CD1 4.37Å; F278-L281 VanDerWaalsContact O-CB 3.23Å; F278-L281 WeakPolarHBondContact O-CB 3.33Å; F278-L281 WeakPolarHBondContact O-CG 3.18Å; F278-L281 PolarHBondContact O-N 2.96Å; F278-L281 VanDerWaalsContact O-N 3.08Å; F278-F282 AromaticContact CD1-CE2 3.85Å; F278-F282 HydrophobicContact CD1-CE2 3.85Å; F278-F282 HydrophobicContact CD1-CZ 4.42Å; F278-F282 AromaticContact CE1-CE2 3.51Å; F278-F282 HydrophobicContact CE1-CE2 3.51Å; F278-F282 AromaticContact CE1-CZ 3.65Å; F278-F282 HydrophobicContact CE1-CZ 3.65Å; F278-F282 HydrophobicContact CZ-CE2 4.34Å; F278-F282 HydrophobicContact CZ-CZ 4.1Å
279A95.4Very high95.7Very high24 Ų2423.6 Ų23.620%0.19812%0.122CC..Hα-helixtrans-59.4-37.5173.800000111.9I275 I276 L281 F282I275-A279 PolarHBondContact O-N 3.44Å; I276-A279 PolarHBondContact O-N 3.37Å; A279-L281 PolarHBondContact O-N 3.18Å; A279-F282 WeakPolarHBondContact O-CB 3.24Å; A279-F282 PolarHBondContact O-N 3.26Å; A279-F282 VanDerWaalsContact O-N 3.17Å
280T97.2Very high95.4Very high0 Ų026.1 Ų26.10%014%0.139CC..Hα-helixtrans-62.1-27.4176.8-56.30000112.8T51 V54 I276 S277 F278 F282 I283 I284T51-T280 HydrophobicContact CG2-CG2 4.07Å; V54-T280 HydrophobicContact CB-CG2 4.22Å; V54-T280 HydrophobicContact CG1-CG2 4.33Å; V54-T280 HydrophobicContact CG2-CG2 4.49Å; I276-T280 PolarHBondContact O-N 3.36Å; I276-T280 PolarHBondContact O-OG1 3.26Å; S277-T280 WeakPolarHBondContact O-CB 3.45Å; S277-T280 PolarHBondContact O-N 3.09Å; F278-T280 PolarHBondContact O-N 3.26Å; T280-F282 VanDerWaalsContact C-N 3.28Å; T280-F282 PolarHBondContact O-N 3.23Å; T280-I283 WeakPolarHBondContact O-CB 3.32Å; T280-I283 PolarHBondContact O-N 3.26Å; T280-I284 HydrophobicContact CG2-CD1 4.03Å; T280-I284 HydrophobicContact CG2-CG1 4.35Å; T280-I284 WeakPolarHBondContact O-CG1 3.4Å; T280-I284 PolarHBondContact O-N 3.32Å
281L97.2Very high95.2Very high17 Ų1723.6 Ų23.69%0.08913%0.127CC..Hα-helixtrans-59.8-39.6175.5-58179.1000112.2V54 L218 L222 S277 F278 A279 I284 A285V54-L281 HydrophobicContact CG1-CD2 3.43Å; V54-L281 VanDerWaalsContact CG1-CD2 3.43Å; L218-L281 HydrophobicContact CB-CD1 4.23Å; L218-L281 HydrophobicContact CB-CD2 4.07Å; L218-L281 HydrophobicContact CD2-CD1 4.3Å; L218-L281 WeakPolarHBondContact O-CD2 3.28Å; L222-L281 HydrophobicContact CB-CD2 3.99Å; L222-L281 HydrophobicContact CD2-CB 4.07Å; L222-L281 HydrophobicContact CD2-CD2 3.98Å; L222-L281 WeakPolarHBondContact CD2-O 3.19Å; S277-L281 PolarHBondContact O-N 3.08Å; F278-L281 HydrophobicContact CD2-CD1 3.93Å; F278-L281 HydrophobicContact CE2-CD1 4.37Å; F278-L281 VanDerWaalsContact O-CB 3.23Å; F278-L281 WeakPolarHBondContact O-CB 3.33Å; F278-L281 WeakPolarHBondContact O-CG 3.18Å; F278-L281 PolarHBondContact O-N 2.96Å; F278-L281 VanDerWaalsContact O-N 3.08Å; A279-L281 PolarHBondContact O-N 3.18Å; L281-I284 PolarHBondContact O-N 3.36Å; L281-A285 WeakPolarHBondContact O-CB 3.48Å; L281-A285 PolarHBondContact O-N 3.19Å
282F95.3Very high94.9Very high88 Ų8823.4 Ų23.439%0.38612%0.124SC..Hα-helixtrans-65.7-42176.9-62.1-65.8000111.3I246 F278 A279 T280 I284 A285 I286I246-F282 HydrophobicContact CG2-CB 3.9Å; I246-F282 HydrophobicContact CG2-CD1 3.66Å; I246-F282 HydrophobicContact CG2-CE1 4.41Å; I246-F282 HydrophobicContact CG2-CG 3.85Å; F278-F282 AromaticContact CD1-CE2 3.85Å; F278-F282 HydrophobicContact CD1-CE2 3.85Å; F278-F282 HydrophobicContact CD1-CZ 4.42Å; F278-F282 AromaticContact CE1-CE2 3.51Å; F278-F282 HydrophobicContact CE1-CE2 3.51Å; F278-F282 AromaticContact CE1-CZ 3.65Å; F278-F282 HydrophobicContact CE1-CZ 3.65Å; F278-F282 HydrophobicContact CZ-CE2 4.34Å; F278-F282 HydrophobicContact CZ-CZ 4.1Å; A279-F282 WeakPolarHBondContact O-CB 3.24Å; A279-F282 PolarHBondContact O-N 3.26Å; A279-F282 VanDerWaalsContact O-N 3.17Å; T280-F282 VanDerWaalsContact C-N 3.28Å; T280-F282 PolarHBondContact O-N 3.23Å; F282-I284 VanDerWaalsContact C-N 3.34Å; F282-I284 PolarHBondContact O-N 3.17Å; F282-A285 PolarHBondContact O-N 2.94Å; F282-I286 WeakPolarHBondContact O-CG1 3.26Å; F282-I286 PolarHBondContact O-N 3.26Å
283I97.1Very high94.7Very high0 Ų028.7 Ų28.70%015%0.152CC..Hα-helixtrans-59.3-47.7176.1-50.1174.7000110L24 F251 L254 T280 I286 A287 F294L24-I283 HydrophobicContact CD1-CG2 3.81Å; L24-I283 HydrophobicContact CD2-CB 4.45Å; L24-I283 HydrophobicContact CD2-CG2 3.89Å; L24-I283 HydrophobicContact CG-CG2 4.47Å; F251-I283 HydrophobicContact CB-CD1 4.27Å; F251-I283 HydrophobicContact CB-CG1 4.34Å; F251-I283 HydrophobicContact CB-CG2 4.38Å; F251-I283 HydrophobicContact CD2-CG2 4.23Å; L254-I283 HydrophobicContact CB-CD1 4Å; L254-I283 HydrophobicContact CD2-CD1 3.73Å; T280-I283 WeakPolarHBondContact O-CB 3.32Å; T280-I283 PolarHBondContact O-N 3.26Å; I283-I286 PolarHBondContact O-N 2.85Å; I283-A287 VanDerWaalsContact O-CB 3.26Å; I283-A287 WeakPolarHBondContact O-CB 3.28Å; I283-A287 PolarHBondContact O-N 3.3Å; I283-F294 HydrophobicContact CG2-CE1 4.13Å
284I96.8Very high94.5Very high0 Ų029.4 Ų29.40%016%0.155CC..Hα-helixtrans-62.3-46.9178.6-71.4169.3000111L21 L24 V54 I55 Y58 L222 T280 L281 F282 I286 A287 V288L21-I284 HydrophobicContact CD2-CG1 4.3Å; L21-I284 HydrophobicContact CD2-CG2 4.09Å; L24-I284 HydrophobicContact CD2-CG1 3.81Å; V54-I284 HydrophobicContact CB-CD1 4.04Å; V54-I284 HydrophobicContact CG1-CD1 3.44Å; V54-I284 VanDerWaalsContact CG1-CD1 3.44Å; I55-I284 HydrophobicContact CG1-CD1 3.82Å; I55-I284 HydrophobicContact CG1-CG1 4.16Å; Y58-I284 HydrophobicContact CD1-CG2 3.86Å; Y58-I284 HydrophobicContact CD2-CG2 4.09Å; Y58-I284 HydrophobicContact CE1-CG2 4.1Å; Y58-I284 HydrophobicContact CE2-CG2 4.31Å; Y58-I284 HydrophobicContact CG-CG2 3.85Å; L222-I284 HydrophobicContact CD2-CB 3.9Å; L222-I284 HydrophobicContact CD2-CG2 3.57Å; T280-I284 HydrophobicContact CG2-CD1 4.03Å; T280-I284 HydrophobicContact CG2-CG1 4.35Å; T280-I284 WeakPolarHBondContact O-CG1 3.4Å; T280-I284 PolarHBondContact O-N 3.32Å; L281-I284 PolarHBondContact O-N 3.36Å; F282-I284 VanDerWaalsContact C-N 3.34Å; F282-I284 PolarHBondContact O-N 3.17Å; I284-I286 PolarHBondContact O-N 3.39Å; I284-A287 PolarHBondContact O-N 3.02Å; I284-A287 VanDerWaalsContact O-N 3.16Å; I284-V288 HydrophobicContact CG2-CG1 4.42Å; I284-V288 WeakPolarHBondContact O-CG1 3Å; I284-V288 VanDerWaalsContact O-CG2 3.22Å; I284-V288 WeakPolarHBondContact O-CG2 3.39Å; I284-V288 PolarHBondContact O-N 3.42Å; I284-V288 VanDerWaalsContact O-N 3.11Å
285A94.5Very high94.2Very high12 Ų1228.7 Ų28.710%0.09915%0.154CC..Hα-helixtrans-55.9-35.6-179.100000112.2L222 W226 L281 F282 V288L222-A285 HydrophobicContact CD1-CB 4.39Å; W226-A285 HydrophobicContact CG-CB 4.4Å; W226-A285 PolarHBondContact NE1-O 2.92Å; L281-A285 WeakPolarHBondContact O-CB 3.48Å; L281-A285 PolarHBondContact O-N 3.19Å; F282-A285 PolarHBondContact O-N 2.94Å; A285-V288 WeakPolarHBondContact O-CG2 3.32Å
286I93.9Very high94.1Very high3 Ų329.7 Ų29.72%0.01515%0.154CC..Hα-helixtrans-81.7-43.6177.1-58.4-32.8000111.7L243 D244 F282 I283 I284 V288 H289 S292 F294L243-I286 HydrophobicContact CB-CD1 3.48Å; L243-I286 VanDerWaalsContact CB-CD1 3.48Å; L243-I286 HydrophobicContact CD2-CD1 3.72Å; L243-I286 HydrophobicContact CG-CD1 4.07Å; L243-I286 VanDerWaalsContact O-CD1 3.31Å; L243-I286 WeakPolarHBondContact O-CD1 3.44Å; L243-I286 WeakPolarHBondContact O-CG1 3.45Å; D244-I286 WeakPolarHBondContact OD1-CG2 3.19Å; F282-I286 WeakPolarHBondContact O-CG1 3.26Å; F282-I286 PolarHBondContact O-N 3.26Å; I283-I286 PolarHBondContact O-N 2.85Å; I284-I286 PolarHBondContact O-N 3.39Å; I286-V288 PolarHBondContact O-N 3.45Å; I286-V288 VanDerWaalsContact O-N 3.08Å; I286-H289 PolarHBondContact O-N 3.35Å; I286-S292 WeakPolarHBondContact CG2-OG 3.18Å; I286-S292 WeakPolarHBondContact O-CB 3.35Å; I286-F294 HydrophobicContact CG2-CB 3.93Å; I286-F294 HydrophobicContact CG2-CD1 4Å; I286-F294 HydrophobicContact CG2-CG 4.46Å
287A94.5Very high94Very high3 Ų333.7 Ų33.73%0.02517%0.172CC..Hα-helixtrans-58.5-24.6-18000000113.7G20 L21 I283 I284 L298G20-A287 WeakPolarHBondContact CA-O 3.32Å; L21-A287 HydrophobicContact CD2-CB 4.32Å; I283-A287 VanDerWaalsContact O-CB 3.26Å; I283-A287 WeakPolarHBondContact O-CB 3.28Å; I283-A287 PolarHBondContact O-N 3.3Å; I284-A287 PolarHBondContact O-N 3.02Å; I284-A287 VanDerWaalsContact O-N 3.16Å; A287-L298 HydrophobicContact CB-CD1 3.61Å
288V93.7Very high93.9Very high12 Ų1233.7 Ų33.77%0.07317%0.172CC..THydrogen-bonded Turntrans-98.3-8.9179.1-580000113.6L18 L21 Y58 L231 I284 A285 I286L18-V288 HydrophobicContact CD1-CG1 4Å; L18-V288 HydrophobicContact CD2-CB 4.24Å; L18-V288 HydrophobicContact CD2-CG1 4.41Å; L21-V288 HydrophobicContact CD1-CG1 3.93Å; L21-V288 HydrophobicContact CD2-CG1 3.65Å; L21-V288 HydrophobicContact CG-CG1 3.7Å; Y58-V288 HydrophobicContact CE1-CG1 3.77Å; Y58-V288 WeakPolarHBondContact OH-CG2 3.35Å; L231-V288 HydrophobicContact CD1-CG2 3.83Å; I284-V288 HydrophobicContact CG2-CG1 4.42Å; I284-V288 WeakPolarHBondContact O-CG1 3Å; I284-V288 VanDerWaalsContact O-CG2 3.22Å; I284-V288 WeakPolarHBondContact O-CG2 3.39Å; I284-V288 PolarHBondContact O-N 3.42Å; I284-V288 VanDerWaalsContact O-N 3.11Å; A285-V288 WeakPolarHBondContact O-CG2 3.32Å; I286-V288 PolarHBondContact O-N 3.45Å; I286-V288 VanDerWaalsContact O-N 3.08Å
289H92.3Very high93.8Very high8 Ų830.4 Ų30.44%0.03716%0.161CC..  trans-78.4124.2-176.1-165.4-78.6000111.2W226 K232 I235 I286 S291 S292W226-H289 AromaticContact CZ2-CD2 3.77Å; K232-H289 PolarHBondContact O-CE1 3.33Å; I235-H289 WeakPolarHBondContact CD1-CE1 3.23Å; I235-H289 WeakPolarHBondContact CD1-NE2 3.48Å; I286-H289 PolarHBondContact O-N 3.35Å; H289-S291 PolarHBondContact CE1-OG 3.3Å; H289-S291 PolarHBondContact ND1-N 3.18Å; H289-S291 PolarHBondContact O-N 2.83Å; H289-S292 PolarHBondContact O-N 3.35Å
290P88Confident93.8Very high53 Ų5334 Ų3434%0.34418%0.175SC..THydrogen-bonded Turntrans-63.7-20-17224.3-35.1000114.9L231 K233L231-P290 HydrophobicContact CB-CG 4.41Å; K233-P290 HydrophobicContact CB-CB 4.44Å; K233-P290 HydrophobicContact CB-CG 4.37Å; K233-P290 HydrophobicContact CG-CB 4.48Å
291S89.1Confident93.8Very high25 Ų2542.1 Ų42.118%0.17521%0.211CC..THydrogen-bonded Turntrans-100.7-7.8-176.7-35.80000114.1K233 V240 H289K233-S291 WeakPolarHBondContact CA-OG 3.5Å; K233-S291 PolarHBondContact O-OG 3.16Å; V240-S291 WeakPolarHBondContact CG1-O 3.43Å; H289-S291 PolarHBondContact CE1-OG 3.3Å; H289-S291 PolarHBondContact ND1-N 3.18Å; H289-S291 PolarHBondContact O-N 2.83Å
292S90.5Very high93.8Very high3 Ų345.1 Ų45.12%0.02123%0.231CC..  trans-68.8136-175.4163.10000111.6D244 I286 H289 F294 A295D244-S292 VanDerWaalsContact OD1-CB 3.26Å; D244-S292 WeakPolarHBondContact OD1-CB 3.24Å; D244-S292 PolarHBondContact OD1-OG 2.94Å; I286-S292 WeakPolarHBondContact CG2-OG 3.18Å; I286-S292 WeakPolarHBondContact O-CB 3.35Å; H289-S292 PolarHBondContact O-N 3.35Å; S292-F294 PolarHBondContact OG-N 2.9Å; S292-F294 VanDerWaalsContact OG-N 3.11Å; S292-A295 PolarHBondContact OG-N 3.28Å
293L90.4Very high93.8Very high113 Ų11342 Ų4259%0.59222%0.218SC*.Hα-helixtrans-73.6-35.9170.3-67177.2000111D244 A295 K296 F297D244-L293 PolarHBondContact OD1-N 3.4Å; D244-L293 PolarHBondContact OD2-N 3.38Å; L293-A295 VanDerWaalsContact C-N 3.33Å; L293-A295 PolarHBondContact O-N 3.35Å; L293-K296 HydrophobicContact CD2-CD 4.21Å; L293-K296 WeakPolarHBondContact O-CA 3.49Å; L293-K296 WeakPolarHBondContact O-CB 3.47Å; L293-K296 PolarHBondContact O-N 3.41Å; L293-F297 PolarHBondContact O-N 3.49Å; L293-F297 VanDerWaalsContact O-N 3.09Å
294F92.8Very high93.8Very high15 Ų1543.3 Ų43.37%0.06623%0.225CC..Hα-helixtrans-64.3-37.6176.7-173.2-116.9000112.2D244 I248 F251 I283 I286 S292 K296 F297 L298D244-F294 PolarHBondContact OD1-N 2.72Å; I248-F294 HydrophobicContact CD1-CB 4.32Å; I248-F294 HydrophobicContact CD1-CD2 4.32Å; I248-F294 HydrophobicContact CG1-CB 4.02Å; I248-F294 HydrophobicContact CG1-CD1 4.5Å; I248-F294 HydrophobicContact CG1-CD2 3.58Å; I248-F294 HydrophobicContact CG1-CE2 4.17Å; I248-F294 HydrophobicContact CG1-CG 3.78Å; F251-F294 HydrophobicContact CB-CE1 4.19Å; F251-F294 HydrophobicContact CB-CZ 3.69Å; F251-F294 HydrophobicContact CD1-CE2 4.18Å; F251-F294 AromaticContact CD1-CZ 3.85Å; F251-F294 HydrophobicContact CD1-CZ 3.85Å; F251-F294 AromaticContact CD2-CZ 3.89Å; F251-F294 HydrophobicContact CD2-CZ 3.89Å; F251-F294 HydrophobicContact CE1-CZ 4.46Å; F251-F294 HydrophobicContact CE2-CZ 4.49Å; F251-F294 HydrophobicContact CG-CE1 4.37Å; F251-F294 HydrophobicContact CG-CE2 4.29Å; F251-F294 AromaticContact CG-CZ 3.52Å; F251-F294 HydrophobicContact CG-CZ 3.52Å; I283-F294 HydrophobicContact CG2-CE1 4.13Å; I286-F294 HydrophobicContact CG2-CB 3.93Å; I286-F294 HydrophobicContact CG2-CD1 4Å; I286-F294 HydrophobicContact CG2-CG 4.46Å; S292-F294 PolarHBondContact OG-N 2.9Å; S292-F294 VanDerWaalsContact OG-N 3.11Å; F294-K296 PolarHBondContact O-N 3.35Å; F294-F297 AromaticContact CD2-CD1 3.97Å; F294-F297 HydrophobicContact CD2-CD1 3.97Å; F294-F297 AromaticContact CE2-CD1 3.67Å; F294-F297 HydrophobicContact CE2-CD1 3.67Å; F294-F297 HydrophobicContact CE2-CE1 4.08Å; F294-F297 WeakPolarHBondContact O-CB 3.34Å; F294-F297 PolarHBondContact O-N 3.14Å; F294-F297 VanDerWaalsContact O-N 3.13Å; F294-L298 HydrophobicContact CD1-CD1 3.98Å; F294-L298 HydrophobicContact CD1-CG 4.39Å; F294-L298 HydrophobicContact CE1-CD1 3.55Å; F294-L298 HydrophobicContact CE1-CD2 4.44Å; F294-L298 HydrophobicContact CE1-CG 4.01Å; F294-L298 HydrophobicContact CE2-CG 4.47Å; F294-L298 HydrophobicContact CZ-CD1 4.02Å; F294-L298 HydrophobicContact CZ-CD2 4.06Å; F294-L298 HydrophobicContact CZ-CG 4.03Å; F294-L298 PolarHBondContact O-N 2.96Å
295A92.7Very high93.7Very high10 Ų1047.7 Ų47.78%0.08325%0.247CC..Hα-helixtrans-59.4-34.817100000112.5S292 L293 S299S292-A295 PolarHBondContact OG-N 3.28Å; L293-A295 VanDerWaalsContact C-N 3.33Å; L293-A295 PolarHBondContact O-N 3.35Å; A295-S299 VanDerWaalsContact O-CB 3.27Å; A295-S299 WeakPolarHBondContact O-CB 3.32Å; A295-S299 PolarHBondContact O-N 3.34Å; A295-S299 PolarHBondContact O-OG 3.49Å
296K92.9Very high93.9Very high133 Ų13349.6 Ų49.658%0.57826%0.255SS*.Hα-helixtrans-68.1-40.6174.3-63.6177.1-175.1174.60111.8L293 F294 S299 M300L293-K296 HydrophobicContact CD2-CD 4.21Å; L293-K296 WeakPolarHBondContact O-CA 3.49Å; L293-K296 WeakPolarHBondContact O-CB 3.47Å; L293-K296 PolarHBondContact O-N 3.41Å; F294-K296 PolarHBondContact O-N 3.35Å; K296-S299 CarbonylContact O-C 3.58Å; K296-S299 WeakPolarHBondContact O-CA 3.34Å; K296-S299 PolarHBondContact O-N 3.11Å; K296-S299 VanDerWaalsContact O-N 3.11Å; K296-M300 PolarHBondContact O-N 3.41Å
297F95Very high94Very high87 Ų8749.5 Ų49.538%0.38226%0.255SS..Hα-helixtrans-59-50.5172.6166.7-100.9000111.3F27 L293 F294 S299 M300F27-F297 HydrophobicContact CE2-CE1 4.18Å; F27-F297 HydrophobicContact CZ-CE1 4.16Å; F27-F297 HydrophobicContact CZ-CZ 4.16Å; L293-F297 PolarHBondContact O-N 3.49Å; L293-F297 VanDerWaalsContact O-N 3.09Å; F294-F297 AromaticContact CD2-CD1 3.97Å; F294-F297 HydrophobicContact CD2-CD1 3.97Å; F294-F297 AromaticContact CE2-CD1 3.67Å; F294-F297 HydrophobicContact CE2-CD1 3.67Å; F294-F297 HydrophobicContact CE2-CE1 4.08Å; F294-F297 WeakPolarHBondContact O-CB 3.34Å; F294-F297 PolarHBondContact O-N 3.14Å; F294-F297 VanDerWaalsContact O-N 3.13Å; F297-S299 PolarHBondContact O-N 2.66Å; F297-S299 VanDerWaalsContact O-N 3.11Å; F297-M300 HydrophobicContact CD2-SD 3.74Å; F297-M300 HydrophobicContact CE2-SD 4.14Å; F297-M300 WeakPolarHBondContact O-CB 3.23Å; F297-M300 WeakPolarHBondContact O-CG 3.46Å; F297-M300 PolarHBondContact O-N 3.11Å
298L95.2Very high94Very high0 Ų053.7 Ų53.70%027%0.273CS..Hα-helixtrans-62.4-21.1175.3-67.2179.5000112.8G23 F27 A287 F294 M300G23-L298 WeakPolarHBondContact CA-O 3.45Å; F27-L298 HydrophobicContact CD2-CD2 4.08Å; F27-L298 HydrophobicContact CE2-CD2 3.82Å; A287-L298 HydrophobicContact CB-CD1 3.61Å; F294-L298 HydrophobicContact CD1-CD1 3.98Å; F294-L298 HydrophobicContact CD1-CG 4.39Å; F294-L298 HydrophobicContact CE1-CD1 3.55Å; F294-L298 HydrophobicContact CE1-CD2 4.44Å; F294-L298 HydrophobicContact CE1-CG 4.01Å; F294-L298 HydrophobicContact CE2-CG 4.47Å; F294-L298 HydrophobicContact CZ-CD1 4.02Å; F294-L298 HydrophobicContact CZ-CD2 4.06Å; F294-L298 HydrophobicContact CZ-CG 4.03Å; F294-L298 PolarHBondContact O-N 2.96Å; L298-M300 VanDerWaalsContact C-N 3.34Å
299S94.7Very high94.1Very high32 Ų3255.3 Ų55.322%0.22428%0.278CS..THydrogen-bonded Turntrans-90.510.3177.1-56.70000114P19 G20 A295 K296 F297 L304P19-S299 WeakPolarHBondContact CB-OG 3.37Å; P19-S299 WeakPolarHBondContact CG-OG 3.45Å; G20-S299 PolarHBondContact N-OG 3.27Å; A295-S299 VanDerWaalsContact O-CB 3.27Å; A295-S299 WeakPolarHBondContact O-CB 3.32Å; A295-S299 PolarHBondContact O-N 3.34Å; A295-S299 PolarHBondContact O-OG 3.49Å; K296-S299 CarbonylContact O-C 3.58Å; K296-S299 WeakPolarHBondContact O-CA 3.34Å; K296-S299 PolarHBondContact O-N 3.11Å; K296-S299 VanDerWaalsContact O-N 3.11Å; F297-S299 PolarHBondContact O-N 2.66Å; F297-S299 VanDerWaalsContact O-N 3.11Å; S299-L304 WeakPolarHBondContact O-CD1 3.31Å; S299-L304 WeakPolarHBondContact O-CG 3.36Å
300M96.5Very high94.3Very high100 Ų10055.4 Ų55.449%0.49328%0.279SS..  trans-60.9143.8174.5-75176.570.900111.4K296 F297 L298 P302 L303 L304K296-M300 PolarHBondContact O-N 3.41Å; F297-M300 HydrophobicContact CD2-SD 3.74Å; F297-M300 HydrophobicContact CE2-SD 4.14Å; F297-M300 WeakPolarHBondContact O-CB 3.23Å; F297-M300 WeakPolarHBondContact O-CG 3.46Å; F297-M300 PolarHBondContact O-N 3.11Å; L298-M300 VanDerWaalsContact C-N 3.34Å; M300-P302 VanDerWaalsContact C-CD 3.49Å; M300-L303 PolarHBondContact O-N 2.83Å; M300-L303 VanDerWaalsContact O-N 3.12Å; M300-L304 PolarHBondContact O-N 2.87Å
301K96.5Very high94.7Very high171 Ų17154.3 Ų54.374%0.74327%0.268SS*.Hα-helixtrans-51.5-45.2-173-68.4-177.7179.3177.50114.3L303 L304 I305K301-L303 PolarHBondContact O-N 2.91Å; K301-L304 PolarHBondContact O-N 3.44Å; K301-I305 VanDerWaalsContact O-CG1 3.29Å; K301-I305 WeakPolarHBondContact O-CG1 3.47Å; K301-I305 PolarHBondContact O-N 2.95Å
302P96.6Very high95Very high80 Ų8053.1 Ų53.152%0.51926%0.26SS..Hα-helixtrans-61.2-45.6179.7-23.134.8000112.4M300 L304 I305 I306M300-P302 VanDerWaalsContact C-CD 3.49Å; P302-L304 VanDerWaalsContact C-N 3.34Å; P302-L304 PolarHBondContact O-N 3.32Å; P302-I305 WeakPolarHBondContact O-CB 3.3Å; P302-I305 PolarHBondContact O-N 3.23Å; P302-I305 VanDerWaalsContact O-N 3.17Å; P302-I306 WeakPolarHBondContact O-CG1 3.49Å; P302-I306 PolarHBondContact O-N 3.46Å; P302-I306 VanDerWaalsContact O-N 3.12Å
303L97.1Very high95.4Very high21 Ų2154.1 Ų54.111%0.1127%0.265CS..Hα-helixtrans-63.4-40.1178.2-63.6178.8000111.5A26 F27 M300 K301 I305 I306 G307A26-L303 HydrophobicContact CB-CB 4.34Å; A26-L303 HydrophobicContact CB-CD2 4.07Å; A26-L303 WeakPolarHBondContact CB-O 3.34Å; F27-L303 HydrophobicContact CD2-CD2 4.36Å; F27-L303 HydrophobicContact CE2-CD1 3.67Å; F27-L303 HydrophobicContact CE2-CD2 3.83Å; F27-L303 HydrophobicContact CE2-CG 4.42Å; F27-L303 HydrophobicContact CZ-CD1 4.16Å; F27-L303 HydrophobicContact CZ-CD2 4.01Å; M300-L303 PolarHBondContact O-N 2.83Å; M300-L303 VanDerWaalsContact O-N 3.12Å; K301-L303 PolarHBondContact O-N 2.91Å; L303-I305 VanDerWaalsContact C-N 3.33Å; L303-I305 PolarHBondContact O-N 2.95Å; L303-I306 PolarHBondContact O-N 3.44Å; L303-G307 WeakPolarHBondContact O-CA 3.38Å; L303-G307 PolarHBondContact O-N 3.39Å
304L96.2Very high95.8Very high29 Ų2949.5 Ų49.515%0.15224%0.24CC..Hα-helixtrans-64.6-36.1175-67.1-176.9000113.2P19 D22 S299 M300 K301 P302 K308P19-L304 HydrophobicContact CB-CD1 4.48Å; P19-L304 HydrophobicContact CB-CD2 3.73Å; P19-L304 VanDerWaalsContact O-CD2 3.28Å; P19-L304 WeakPolarHBondContact O-CD2 3.37Å; D22-L304 HydrophobicContact CB-CD2 3.95Å; S299-L304 WeakPolarHBondContact O-CD1 3.31Å; S299-L304 WeakPolarHBondContact O-CG 3.36Å; M300-L304 PolarHBondContact O-N 2.87Å; K301-L304 PolarHBondContact O-N 3.44Å; P302-L304 VanDerWaalsContact C-N 3.34Å; P302-L304 PolarHBondContact O-N 3.32Å; L304-K308 WeakPolarHBondContact O-CB 3.31Å; L304-K308 WeakPolarHBondContact O-CD 3.47Å; L304-K308 WeakPolarHBondContact O-CG 3.2Å; L304-K308 PolarHBondContact O-N 2.94Å; L304-K308 VanDerWaalsContact O-N 3.11Å
305I95.7Very high96Very high91 Ų9148.8 Ų48.847%0.46724%0.237SC..Hα-helixtrans-63.7-49.8177.9-71.7165.4000109.5K301 P302 L303 R309K301-I305 VanDerWaalsContact O-CG1 3.29Å; K301-I305 WeakPolarHBondContact O-CG1 3.47Å; K301-I305 PolarHBondContact O-N 2.95Å; P302-I305 WeakPolarHBondContact O-CB 3.3Å; P302-I305 PolarHBondContact O-N 3.23Å; P302-I305 VanDerWaalsContact O-N 3.17Å; L303-I305 VanDerWaalsContact C-N 3.33Å; L303-I305 PolarHBondContact O-N 2.95Å; I305-R309 VanDerWaalsContact O-CD 3.26Å; I305-R309 WeakPolarHBondContact O-CD 3.22Å; I305-R309 PolarHBondContact O-NH1 3.49Å
306I97.3Very high96.3Very high52 Ų5248.6 Ų48.627%0.26723%0.234SC..Hα-helixtrans-66.2-49.3179.4-61.9173.1000110.4A26 V29 I30 P302 L303 K308 R309 S310 L313A26-I306 HydrophobicContact CB-CB 3.88Å; A26-I306 HydrophobicContact CB-CG2 3.76Å; V29-I306 HydrophobicContact CG1-CG2 3.94Å; I30-I306 HydrophobicContact CD1-CD1 4.04Å; I30-I306 HydrophobicContact CD1-CG2 4.39Å; I30-I306 HydrophobicContact CG1-CG2 4.4Å; P302-I306 WeakPolarHBondContact O-CG1 3.49Å; P302-I306 PolarHBondContact O-N 3.46Å; P302-I306 VanDerWaalsContact O-N 3.12Å; L303-I306 PolarHBondContact O-N 3.44Å; I306-K308 VanDerWaalsContact C-N 3.34Å; I306-K308 PolarHBondContact O-N 3.37Å; I306-R309 CarbonylContact O-C 3.58Å; I306-R309 WeakPolarHBondContact O-CA 3.24Å; I306-R309 PolarHBondContact O-N 2.94Å; I306-S310 PolarHBondContact O-N 3.5Å; I306-L313 HydrophobicContact CG2-CD1 3.84Å
307G96.6Very high96.5Very high1 Ų142.3 Ų42.31%0.0121%0.207CC..Hα-helixtrans-55.5-43.2-178.900000113.9D22 L303 R309 S310D22-G307 WeakPolarHBondContact O-CA 3.28Å; L303-G307 WeakPolarHBondContact O-CA 3.38Å; L303-G307 PolarHBondContact O-N 3.39Å; G307-R309 PolarHBondContact O-N 3.09Å; G307-S310 VanDerWaalsContact O-CB 3.32Å; G307-S310 WeakPolarHBondContact O-CB 3.34Å; G307-S310 PolarHBondContact O-N 3.05Å; G307-S310 PolarHBondContact O-OG 3.28Å
308K94Very high96.6Very high91 Ų9138.9 Ų38.940%0.39619%0.191SC..Hα-helixtrans-65.2-22175.6-74.6173.7-1771770113.8Y17 L304 I306Y17-K308 WeakPolarHBondContact OH-CE 3.49Å; L304-K308 WeakPolarHBondContact O-CB 3.31Å; L304-K308 WeakPolarHBondContact O-CD 3.47Å; L304-K308 WeakPolarHBondContact O-CG 3.2Å; L304-K308 PolarHBondContact O-N 2.94Å; L304-K308 VanDerWaalsContact O-N 3.11Å; I306-K308 VanDerWaalsContact C-N 3.34Å; I306-K308 PolarHBondContact O-N 3.37Å
309R95.6Very high96.7Very high47 Ų4739 Ų3918%0.17719%0.192CC..Hα-helixtrans-104.6-1.6-179.9-69158.717879.6-0.4112.8I305 I306 G307 Y311 S312 L313 E350 Y353I305-R309 VanDerWaalsContact O-CD 3.26Å; I305-R309 WeakPolarHBondContact O-CD 3.22Å; I305-R309 PolarHBondContact O-NH1 3.49Å; I306-R309 CarbonylContact O-C 3.58Å; I306-R309 WeakPolarHBondContact O-CA 3.24Å; I306-R309 PolarHBondContact O-N 2.94Å; G307-R309 PolarHBondContact O-N 3.09Å; R309-Y311 PolarHBondContact O-N 3.44Å; R309-Y311 VanDerWaalsContact O-N 3.09Å; R309-S312 PolarHBondContact O-N 2.85Å; R309-L313 HydrophobicContact CB-CD1 4.16Å; R309-L313 HydrophobicContact CB-CG 4.32Å; R309-L313 PolarHBondContact O-N 3.45Å; R309-E350 VanDerWaalsContact CD-OE2 3.28Å; R309-E350 WeakPolarHBondContact CD-OE2 3.24Å; R309-E350 IonicContact CZ-OE1 2.99Å; R309-E350 IonicContact CZ-OE2 3.89Å; R309-E350 IonicContact NE-OE1 3.79Å; R309-E350 PolarHBondContact NE-OE1 3.43Å; R309-E350 IonicContact NE-OE2 2.61Å; R309-E350 PolarHBondContact NE-OE2 3.01Å; R309-E350 IonicContact NH2-OE1 3.8Å; R309-E350 PolarHBondContact NH2-OE1 3.39Å; R309-E350 VanDerWaalsContact NH2-OE1 3.14Å; R309-E350 IonicContact NH2-OE2 2.68Å; R309-Y353 HydrophobicContact CG-CD1 4.09Å; R309-Y353 HydrophobicContact CG-CD2 4.34Å; R309-Y353 HydrophobicContact CG-CE1 4.36Å; R309-Y353 HydrophobicContact CG-CG 4.09Å
310S97Very high96.8Very high10 Ų1038.3 Ų38.37%0.0719%0.186CC..Hα-helixtrans-48.7-41-176.652.50000113I306 G307 L313 Y314I306-S310 PolarHBondContact O-N 3.5Å; G307-S310 VanDerWaalsContact O-CB 3.32Å; G307-S310 WeakPolarHBondContact O-CB 3.34Å; G307-S310 PolarHBondContact O-N 3.05Å; G307-S310 PolarHBondContact O-OG 3.28Å; S310-L313 PolarHBondContact O-N 3.01Å; S310-Y314 WeakPolarHBondContact O-CB 3.48Å; S310-Y314 PolarHBondContact O-N 3.25Å
311Y96Very high96.8Very high29 Ų2933.9 Ų33.911%0.11416%0.164CC..Hα-helixtrans-62.1-50.8175.2-179.4-119000112.8L87 A90 L151 R309 L313 Y314 L315L87-Y311 WeakPolarHBondContact CA-OH 3.21Å; L87-Y311 HydrophobicContact CD2-CD2 4.24Å; L87-Y311 HydrophobicContact CD2-CE1 4.06Å; L87-Y311 HydrophobicContact CD2-CE2 3.77Å; L87-Y311 PolarHBondContact O-OH 2.88Å; A90-Y311 HydrophobicContact CB-CD1 4.4Å; A90-Y311 HydrophobicContact CB-CE1 3.73Å; L151-Y311 HydrophobicContact CD1-CE2 3.89Å; L151-Y311 HydrophobicContact CD2-CE2 3.92Å; R309-Y311 PolarHBondContact O-N 3.44Å; R309-Y311 VanDerWaalsContact O-N 3.09Å; Y311-L313 PolarHBondContact O-N 3.06Å; Y311-Y314 PolarHBondContact O-N 2.92Å; Y311-L315 HydrophobicContact CD1-CD1 4.24Å; Y311-L315 HydrophobicContact CE1-CD1 3.75Å; Y311-L315 HydrophobicContact CE2-CD1 4.22Å; Y311-L315 HydrophobicContact CE2-CD2 4.26Å; Y311-L315 HydrophobicContact CE2-CG 4.21Å; Y311-L315 WeakPolarHBondContact O-CG 3.48Å; Y311-L315 PolarHBondContact O-N 3.11Å
312S96.9Very high96.7Very high0 Ų026.6 Ų26.60%013%0.134CC..Hα-helixtrans-65.3-38177.2-76.10000112R309 L315 W316 A349 E357R309-S312 PolarHBondContact O-N 2.85Å; S312-L315 PolarHBondContact O-N 3.49Å; S312-W316 PolarHBondContact O-N 3.41Å; S312-W316 VanDerWaalsContact O-N 3.16Å; S312-A349 WeakPolarHBondContact CB-O 3.18Å; S312-E357 PolarHBondContact OG-OE2 3.35Å; S312-E357 VanDerWaalsContact OG-OE2 3.06Å
313L98.1Very high96.6Very high24 Ų2423.5 Ų23.513%0.12611%0.112CC..Hα-helixtrans-62.2-44.9173.8-72.4167.6000111.3V29 I33 I306 R309 S310 Y311 L315 W316 H317 T345 A349V29-L313 HydrophobicContact CG1-CD1 4.31Å; V29-L313 HydrophobicContact CG2-CB 3.92Å; I33-L313 HydrophobicContact CD1-CB 4.35Å; I306-L313 HydrophobicContact CG2-CD1 3.84Å; R309-L313 HydrophobicContact CB-CD1 4.16Å; R309-L313 HydrophobicContact CB-CG 4.32Å; R309-L313 PolarHBondContact O-N 3.45Å; S310-L313 PolarHBondContact O-N 3.01Å; Y311-L313 PolarHBondContact O-N 3.06Å; L313-L315 VanDerWaalsContact C-N 3.35Å; L313-L315 PolarHBondContact O-N 3.08Å; L313-W316 PolarHBondContact O-N 2.91Å; L313-H317 WeakPolarHBondContact O-CB 3.39Å; L313-H317 PolarHBondContact O-N 3.43Å; L313-H317 PolarHBondContact O-ND1 2.86Å; L313-T345 HydrophobicContact CD2-CG2 4.21Å; L313-A349 HydrophobicContact CD2-CB 3.73Å; L313-A349 HydrophobicContact CG-CB 4.09Å
314Y97.9Very high96.5Very high16 Ų1623.8 Ų23.86%0.06312%0.115CC..Hα-helixtrans-61.2-41.1176.7-174.4-97.5000112.1I32 H147 S150 S310 Y311 H317I32-Y314 HydrophobicContact CD1-CD2 4.15Å; I32-Y314 HydrophobicContact CD1-CE2 4.04Å; I32-Y314 HydrophobicContact CG2-CD2 4.24Å; I32-Y314 HydrophobicContact CG2-CE2 4.02Å; H147-Y314 AromaticContact CD2-CE1 3.68Å; H147-Y314 PolarHBondContact CD2-O 3.4Å; H147-Y314 VanDerWaalsContact CD2-O 3.24Å; H147-Y314 PolarHBondContact NE2-O 3.02Å; H147-Y314 PolarHBondContact O-OH 2.95Å; S150-Y314 VanDerWaalsContact OG-CZ 3.28Å; S150-Y314 PolarHBondContact OG-OH 2.85Å; S310-Y314 WeakPolarHBondContact O-CB 3.48Å; S310-Y314 PolarHBondContact O-N 3.25Å; Y311-Y314 PolarHBondContact O-N 2.92Å; Y314-H317 WeakPolarHBondContact CA-ND1 3.24Å; Y314-H317 AromaticContact CD2-CE1 3.84Å; Y314-H317 PolarHBondContact O-CE1 3.12Å; Y314-H317 PolarHBondContact O-ND1 3.49Å
315L97.8Very high96.2Very high0 Ų022.7 Ų22.70%011%0.109CC..Hα-helixtrans-64.9-40.4177.5-72.6-179.3000113.3A90 V91 L94 H147 L148 L151 Y311 S312 L313 P319A90-L315 HydrophobicContact CB-CD1 3.57Å; V91-L315 HydrophobicContact CB-CD2 4.39Å; V91-L315 HydrophobicContact CG2-CD2 4.21Å; L94-L315 HydrophobicContact CD1-CB 4.42Å; L94-L315 VanDerWaalsContact CD1-O 3.28Å; L94-L315 WeakPolarHBondContact CD1-O 3.3Å; L94-L315 HydrophobicContact CD2-CB 4.05Å; L94-L315 HydrophobicContact CD2-CD2 4.08Å; L94-L315 VanDerWaalsContact CD2-O 3.3Å; L94-L315 WeakPolarHBondContact CD2-O 3.35Å; H147-L315 PolarHBondContact NE2-O 3.45Å; L148-L315 HydrophobicContact CD2-CD2 3.67Å; L151-L315 HydrophobicContact CD2-CD2 4.14Å; Y311-L315 HydrophobicContact CD1-CD1 4.24Å; Y311-L315 HydrophobicContact CE1-CD1 3.75Å; Y311-L315 HydrophobicContact CE2-CD1 4.22Å; Y311-L315 HydrophobicContact CE2-CD2 4.26Å; Y311-L315 HydrophobicContact CE2-CG 4.21Å; Y311-L315 WeakPolarHBondContact O-CG 3.48Å; Y311-L315 PolarHBondContact O-N 3.11Å; S312-L315 PolarHBondContact O-N 3.49Å; L313-L315 VanDerWaalsContact C-N 3.35Å; L313-L315 PolarHBondContact O-N 3.08Å; L315-P319 VanDerWaalsContact O-CD 3.31Å; L315-P319 WeakPolarHBondContact O-CD 3.15Å
316W98.3Very high95.9Very high7 Ų718.9 Ų18.93%0.0279%0.09CC..Hα-helixtrans-92.6-27.2-168.6-76.398.9000114.6F93 L94 V97 S312 L313 Y318 I320 M348 S352F93-W316 HydrophobicContact CD1-CH2 4.48Å; F93-W316 AromaticContact CD1-CZ2 3.61Å; F93-W316 HydrophobicContact CD1-CZ2 3.61Å; F93-W316 HydrophobicContact CE1-CH2 4.17Å; F93-W316 AromaticContact CE1-CZ2 3.49Å; F93-W316 HydrophobicContact CE1-CZ2 3.49Å; F93-W316 VanDerWaalsContact CE1-CZ2 3.49Å; F93-W316 HydrophobicContact CZ-CZ2 4.49Å; L94-W316 HydrophobicContact CB-CZ2 4.43Å; L94-W316 HydrophobicContact CD1-CD2 3.48Å; L94-W316 VanDerWaalsContact CD1-CD2 3.48Å; L94-W316 HydrophobicContact CD1-CE3 3.57Å; L94-W316 HydrophobicContact CD1-CG 4.08Å; L94-W316 HydrophobicContact CD1-CH2 3.89Å; L94-W316 HydrophobicContact CD1-CZ2 3.8Å; L94-W316 HydrophobicContact CD1-CZ3 3.78Å; V97-W316 HydrophobicContact CB-CH2 3.72Å; V97-W316 HydrophobicContact CB-CZ3 4.33Å; V97-W316 HydrophobicContact CG1-CH2 3.75Å; V97-W316 HydrophobicContact CG1-CZ3 3.92Å; V97-W316 HydrophobicContact CG2-CH2 3.88Å; S312-W316 PolarHBondContact O-N 3.41Å; S312-W316 VanDerWaalsContact O-N 3.16Å; L313-W316 PolarHBondContact O-N 2.91Å; W316-Y318 PolarHBondContact O-N 3.4Å; W316-I320 HydrophobicContact CB-CD1 4.17Å; W316-I320 HydrophobicContact CE3-CD1 4.27Å; W316-I320 WeakPolarHBondContact O-CB 3.39Å; W316-I320 VanDerWaalsContact O-CD1 3.28Å; W316-I320 WeakPolarHBondContact O-CD1 3.3Å; W316-I320 VanDerWaalsContact O-CG1 3.23Å; W316-I320 WeakPolarHBondContact O-CG1 3.23Å; W316-I320 PolarHBondContact O-N 2.86Å; W316-M348 HydrophobicContact CB-CB 4.18Å; W316-M348 HydrophobicContact CD2-CB 3.54Å; W316-M348 HydrophobicContact CD2-CE 4.46Å; W316-M348 HydrophobicContact CD2-CG 4.47Å; W316-M348 HydrophobicContact CE3-CB 3.58Å; W316-M348 HydrophobicContact CE3-CE 3.92Å; W316-M348 HydrophobicContact CE3-CG 4.03Å; W316-M348 HydrophobicContact CG-CB 3.8Å; W316-M348 HydrophobicContact CH2-CE 3.31Å; W316-M348 HydrophobicContact CZ2-CE 3.93Å; W316-M348 HydrophobicContact CZ3-CB 4.22Å; W316-M348 HydrophobicContact CZ3-CE 3.3Å; W316-M348 HydrophobicContact CZ3-CG 4.32Å; W316-S352 PolarHBondContact NE1-OG 3Å
317H98.1Very high95.6Very high0 Ų022.5 Ų22.50%010%0.102CC..Hα-helixtrans-59.3-47.4-174.677-67.5000112.6I33 H36 L313 Y314 I320 I321 T345I33-H317 HydrophobicContact CD1-CB 4.3Å; I33-H317 HydrophobicContact CG1-CB 3.77Å; H36-H317 AromaticContact CE1-NE2 3.85Å; H36-H317 AromaticContact CG-NE2 3.99Å; H36-H317 AromaticContact ND1-CD2 3.84Å; H36-H317 AromaticContact ND1-NE2 3.26Å; H36-H317 PolarHBondContact ND1-NE2 2.97Å; L313-H317 WeakPolarHBondContact O-CB 3.39Å; L313-H317 PolarHBondContact O-N 3.43Å; L313-H317 PolarHBondContact O-ND1 2.86Å; Y314-H317 WeakPolarHBondContact CA-ND1 3.24Å; Y314-H317 AromaticContact CD2-CE1 3.84Å; Y314-H317 PolarHBondContact O-CE1 3.12Å; Y314-H317 PolarHBondContact O-ND1 3.49Å; H317-I320 PolarHBondContact O-N 3.03Å; H317-I321 HydrophobicContact CB-CD1 4.38Å; H317-I321 WeakPolarHBondContact O-CB 3.38Å; H317-I321 WeakPolarHBondContact O-CD1 3.41Å; H317-I321 WeakPolarHBondContact O-CG1 3.15Å; H317-I321 PolarHBondContact O-N 3.44Å; H317-T345 HydrophobicContact CB-CG2 3.64Å
318Y96.8Very high95.3Very high15 Ų1525.4 Ų25.46%0.05911%0.113CC..Hα-helixtrans-72.4-47.8-169.4-165.9-94.1000113.3H36 E143 P144 K146 H147 W316 I320 I321 V322H36-Y318 HydrophobicContact CB-CD2 4.34Å; H36-Y318 AromaticContact CD2-CD2 3.47Å; H36-Y318 VanDerWaalsContact CD2-CD2 3.47Å; H36-Y318 WeakPolarHBondContact CD2-CD2 3.34Å; H36-Y318 AromaticContact CD2-CE2 3.3Å; H36-Y318 WeakPolarHBondContact CD2-CE2 3.33Å; H36-Y318 AromaticContact CG-CD2 3.78Å; H36-Y318 AromaticContact NE2-CD2 3.73Å; H36-Y318 AromaticContact NE2-CE2 3.58Å; E143-Y318 VanDerWaalsContact O-CE1 3.31Å; E143-Y318 WeakPolarHBondContact O-CE1 3.17Å; P144-Y318 WeakPolarHBondContact O-CD1 3.41Å; K146-Y318 HydrophobicContact CB-CE1 3.89Å; K146-Y318 WeakPolarHBondContact CE-OH 3.48Å; H147-Y318 HydrophobicContact CB-CD1 3.98Å; H147-Y318 HydrophobicContact CB-CD2 4.21Å; H147-Y318 HydrophobicContact CB-CG 3.77Å; H147-Y318 AromaticContact CG-CD1 3.98Å; H147-Y318 AromaticContact CG-CG 3.83Å; H147-Y318 AromaticContact ND1-CD1 3.57Å; H147-Y318 AromaticContact ND1-CG 3.81Å; W316-Y318 PolarHBondContact O-N 3.4Å; Y318-I320 VanDerWaalsContact C-N 3.25Å; Y318-I320 PolarHBondContact O-N 3.47Å; Y318-I321 PolarHBondContact O-N 3.31Å; Y318-V322 HydrophobicContact CD1-CG2 3.81Å; Y318-V322 HydrophobicContact CE1-CG2 3.51Å; Y318-V322 HydrophobicContact CE2-CG2 4.35Å; Y318-V322 HydrophobicContact CG-CG2 4.37Å; Y318-V322 WeakPolarHBondContact O-CB 3.34Å; Y318-V322 VanDerWaalsContact O-CG2 3.3Å; Y318-V322 WeakPolarHBondContact O-CG2 3.18Å; Y318-V322 PolarHBondContact O-N 3.19Å
319P97.2Very high94.9Very high3 Ų321.9 Ų21.92%0.01910%0.099CC..Hα-helixtrans-58.8-37.3173.9-2332.1000113.2L94 V98 P144 L315 F323L94-P319 HydrophobicContact CD1-CG 4.12Å; L94-P319 HydrophobicContact CD2-CG 4.4Å; V98-P319 HydrophobicContact CG2-CB 3.89Å; V98-P319 HydrophobicContact CG2-CG 4.14Å; P144-P319 HydrophobicContact CB-CB 3.89Å; P144-P319 HydrophobicContact CB-CG 4.46Å; P144-P319 VanDerWaalsContact O-CG 3.29Å; P144-P319 WeakPolarHBondContact O-CG 3.42Å; L315-P319 VanDerWaalsContact O-CD 3.31Å; L315-P319 WeakPolarHBondContact O-CD 3.15Å; P319-F323 HydrophobicContact CB-CD2 4.41Å; P319-F323 HydrophobicContact CB-CE2 4.45Å; P319-F323 WeakPolarHBondContact O-CB 3.21Å; P319-F323 WeakPolarHBondContact O-CD2 3.29Å; P319-F323 WeakPolarHBondContact O-CG 3.34Å; P319-F323 PolarHBondContact O-N 3.17Å
320I97.6Very high94.3Very high17 Ų1721.2 Ų21.29%0.08710%0.098CC..Hα-helixtrans-65.2-52.2178.7-71.3170.1000109.9W316 H317 Y318 V322 F323 V324 E341 L344 M348W316-I320 HydrophobicContact CB-CD1 4.17Å; W316-I320 HydrophobicContact CE3-CD1 4.27Å; W316-I320 WeakPolarHBondContact O-CB 3.39Å; W316-I320 VanDerWaalsContact O-CD1 3.28Å; W316-I320 WeakPolarHBondContact O-CD1 3.3Å; W316-I320 VanDerWaalsContact O-CG1 3.23Å; W316-I320 WeakPolarHBondContact O-CG1 3.23Å; W316-I320 PolarHBondContact O-N 2.86Å; H317-I320 PolarHBondContact O-N 3.03Å; Y318-I320 VanDerWaalsContact C-N 3.25Å; Y318-I320 PolarHBondContact O-N 3.47Å; I320-V322 PolarHBondContact O-N 2.61Å; I320-F323 PolarHBondContact O-N 3.28Å; I320-V324 HydrophobicContact CG2-CG2 4.28Å; I320-V324 VanDerWaalsContact O-CB 3.29Å; I320-V324 WeakPolarHBondContact O-CB 3.38Å; I320-V324 WeakPolarHBondContact O-CG2 3.39Å; I320-V324 PolarHBondContact O-N 2.9Å; I320-E341 HydrophobicContact CG2-CB 4.44Å; I320-L344 HydrophobicContact CD1-CB 4.14Å; I320-L344 HydrophobicContact CG2-CB 3.84Å; I320-L344 HydrophobicContact CG2-CD1 4.33Å; I320-M348 HydrophobicContact CD1-CB 4.06Å; I320-M348 HydrophobicContact CD1-CG 3.99Å
321I95.5Very high93.4Very high8 Ų823.5 Ų23.54%0.04112%0.123CC..Hα-helixtrans-56.6-49.5177.1-70.2167.9000110.3H36 L37 H317 Y318 F323 N325 E341H36-I321 HydrophobicContact CB-CD1 3.88Å; H36-I321 WeakPolarHBondContact O-CG2 3.43Å; L37-I321 HydrophobicContact CD2-CD1 3.82Å; L37-I321 HydrophobicContact CD2-CG1 3.89Å; L37-I321 HydrophobicContact CG-CD1 3.98Å; H317-I321 HydrophobicContact CB-CD1 4.38Å; H317-I321 WeakPolarHBondContact O-CB 3.38Å; H317-I321 WeakPolarHBondContact O-CD1 3.41Å; H317-I321 WeakPolarHBondContact O-CG1 3.15Å; H317-I321 PolarHBondContact O-N 3.44Å; Y318-I321 PolarHBondContact O-N 3.31Å; I321-F323 PolarHBondContact O-N 3.43Å; I321-N325 VanDerWaalsContact CG2-ND2 3.28Å; I321-N325 WeakPolarHBondContact CG2-ND2 3.31Å; I321-N325 VanDerWaalsContact O-CB 3.23Å; I321-N325 WeakPolarHBondContact O-CB 3.38Å; I321-N325 PolarHBondContact O-N 3.38Å; I321-N325 PolarHBondContact O-ND2 3.48Å; I321-E341 HydrophobicContact CG1-CB 4.41Å
322V93.8Very high93Very high18 Ų1824.1 Ų24.111%0.10913%0.127CC..Hα-helixtrans-63.2-45.9-178169.40000111.9I142 P144 Y318 I320 S326I142-V322 HydrophobicContact CB-CG1 4.34Å; I142-V322 HydrophobicContact CG2-CG1 3.68Å; P144-V322 HydrophobicContact CB-CB 4.33Å; P144-V322 HydrophobicContact CB-CG1 4.15Å; Y318-V322 HydrophobicContact CD1-CG2 3.81Å; Y318-V322 HydrophobicContact CE1-CG2 3.51Å; Y318-V322 HydrophobicContact CE2-CG2 4.35Å; Y318-V322 HydrophobicContact CG-CG2 4.37Å; Y318-V322 WeakPolarHBondContact O-CB 3.34Å; Y318-V322 VanDerWaalsContact O-CG2 3.3Å; Y318-V322 WeakPolarHBondContact O-CG2 3.18Å; Y318-V322 PolarHBondContact O-N 3.19Å; I320-V322 PolarHBondContact O-N 2.61Å; V322-S326 WeakPolarHBondContact O-CB 3.26Å; V322-S326 PolarHBondContact O-N 2.94Å; V322-S326 VanDerWaalsContact O-N 3.11Å
323F94.9Very high92.6Very high15 Ų1524.9 Ų24.97%0.06613%0.131CC..Hα-helixtrans-70.8-41.4-179.9-74.6-47.6000112.8V98 F101 K106 M113 P144 P319 I320 I321 S326 Y327V98-F323 HydrophobicContact CB-CE2 4.48Å; V98-F323 HydrophobicContact CG1-CE2 3.98Å; V98-F323 HydrophobicContact CG1-CZ 3.92Å; V98-F323 HydrophobicContact CG2-CE2 4.31Å; F101-F323 HydrophobicContact CB-CE2 4.41Å; F101-F323 AromaticContact CD1-CD1 3.82Å; F101-F323 HydrophobicContact CD1-CD1 3.82Å; F101-F323 AromaticContact CD1-CD2 3.79Å; F101-F323 HydrophobicContact CD1-CD2 3.79Å; F101-F323 AromaticContact CD1-CE1 3.72Å; F101-F323 HydrophobicContact CD1-CE1 3.72Å; F101-F323 AromaticContact CD1-CE2 3.68Å; F101-F323 HydrophobicContact CD1-CE2 3.68Å; F101-F323 AromaticContact CD1-CG 3.85Å; F101-F323 HydrophobicContact CD1-CG 3.85Å; F101-F323 AromaticContact CD1-CZ 3.62Å; F101-F323 HydrophobicContact CD1-CZ 3.62Å; F101-F323 HydrophobicContact CE1-CB 3.94Å; F101-F323 AromaticContact CE1-CD1 3.57Å; F101-F323 HydrophobicContact CE1-CD1 3.57Å; F101-F323 AromaticContact CE1-CD2 3.94Å; F101-F323 HydrophobicContact CE1-CD2 3.94Å; F101-F323 AromaticContact CE1-CE1 3.94Å; F101-F323 HydrophobicContact CE1-CE1 3.94Å; F101-F323 HydrophobicContact CE1-CE2 4.27Å; F101-F323 AromaticContact CE1-CG 3.57Å; F101-F323 HydrophobicContact CE1-CG 3.57Å; F101-F323 HydrophobicContact CE1-CZ 4.25Å; F101-F323 HydrophobicContact CG-CD2 4.38Å; F101-F323 HydrophobicContact CG-CE2 4.2Å; F101-F323 HydrophobicContact CG-CZ 4.45Å; F101-F323 HydrophobicContact CZ-CB 4.24Å; F101-F323 HydrophobicContact CZ-CG 4.3Å; K106-F323 HydrophobicContact CG-CE1 4.44Å; M113-F323 HydrophobicContact CE-CZ 4.21Å; P144-F323 HydrophobicContact CB-CD2 4.4Å; P144-F323 HydrophobicContact CB-CE1 4.37Å; P144-F323 HydrophobicContact CB-CE2 3.96Å; P144-F323 HydrophobicContact CB-CZ 3.96Å; P144-F323 HydrophobicContact CG-CE1 3.9Å; P144-F323 HydrophobicContact CG-CE2 4.08Å; P144-F323 HydrophobicContact CG-CZ 3.57Å; P319-F323 HydrophobicContact CB-CD2 4.41Å; P319-F323 HydrophobicContact CB-CE2 4.45Å; P319-F323 WeakPolarHBondContact O-CB 3.21Å; P319-F323 WeakPolarHBondContact O-CD2 3.29Å; P319-F323 WeakPolarHBondContact O-CG 3.34Å; P319-F323 PolarHBondContact O-N 3.17Å; I320-F323 PolarHBondContact O-N 3.28Å; I321-F323 PolarHBondContact O-N 3.43Å; F323-S326 WeakPolarHBondContact O-CB 3.47Å; F323-S326 PolarHBondContact O-N 3.24Å; F323-S326 PolarHBondContact O-OG 2.75Å; F323-Y327 WeakPolarHBondContact O-CD2 3.39Å; F323-Y327 WeakPolarHBondContact O-CE2 3.2Å
324V94.5Very high92.3Very high27 Ų2725.9 Ų25.916%0.16414%0.139CC..Hα-helixtrans-65.2-49.8178.5172.90000110I320 S326 Y327 Y328 V337 E341 L344I320-V324 HydrophobicContact CG2-CG2 4.28Å; I320-V324 VanDerWaalsContact O-CB 3.29Å; I320-V324 WeakPolarHBondContact O-CB 3.38Å; I320-V324 WeakPolarHBondContact O-CG2 3.39Å; I320-V324 PolarHBondContact O-N 2.9Å; V324-S326 PolarHBondContact O-N 2.94Å; V324-Y327 PolarHBondContact O-N 3.16Å; V324-Y327 VanDerWaalsContact O-N 3.11Å; V324-Y328 HydrophobicContact CG1-CD2 4.48Å; V324-Y328 HydrophobicContact CG1-CE2 4.15Å; V324-Y328 WeakPolarHBondContact O-CD2 3.39Å; V324-V337 HydrophobicContact CG1-CG1 3.42Å; V324-V337 VanDerWaalsContact CG1-CG1 3.42Å; V324-E341 HydrophobicContact CB-CG 4.01Å; V324-E341 HydrophobicContact CG1-CG 3.85Å; V324-E341 HydrophobicContact CG2-CG 4.32Å; V324-L344 HydrophobicContact CG2-CD1 4.31Å
325N91.1Very high92Very high5 Ų530.3 Ų30.33%0.02717%0.167CC..Hα-helixtrans-64-22.4178.5-72-53.8000113.7I321 Y327 Y328 I333 E341I321-N325 VanDerWaalsContact CG2-ND2 3.28Å; I321-N325 WeakPolarHBondContact CG2-ND2 3.31Å; I321-N325 VanDerWaalsContact O-CB 3.23Å; I321-N325 WeakPolarHBondContact O-CB 3.38Å; I321-N325 PolarHBondContact O-N 3.38Å; I321-N325 PolarHBondContact O-ND2 3.48Å; N325-Y327 PolarHBondContact O-N 2.79Å; N325-Y328 PolarHBondContact O-N 3.35Å; N325-I333 HydrophobicContact CB-CD1 4.47Å; N325-I333 WeakPolarHBondContact OD1-CD1 3.27Å; N325-I333 WeakPolarHBondContact OD1-CG1 3.45Å; N325-E341 VanDerWaalsContact CG-OE1 3.29Å; N325-E341 PolarHBondContact ND2-OE1 3.4Å; N325-E341 PolarHBondContact OD1-OE1 3.4Å
326S89.8Confident91.9Very high11 Ų1136.2 Ų36.28%0.07719%0.19CC..THydrogen-bonded Turntrans-62.2-10.9174.180.70000114.7K106 V322 F323 V324K106-S326 WeakPolarHBondContact CE-OG 3.37Å; K106-S326 PolarHBondContact NZ-OG 3.41Å; K106-S326 VanDerWaalsContact NZ-OG 3.11Å; V322-S326 WeakPolarHBondContact O-CB 3.26Å; V322-S326 PolarHBondContact O-N 2.94Å; V322-S326 VanDerWaalsContact O-N 3.11Å; F323-S326 WeakPolarHBondContact O-CB 3.47Å; F323-S326 PolarHBondContact O-N 3.24Å; F323-S326 PolarHBondContact O-OG 2.75Å; V324-S326 PolarHBondContact O-N 2.94Å
327Y90.7Very high91.8Very high128 Ų12835.9 Ų35.950%0.50219%0.189SC..THydrogen-bonded Turntrans-101-1.7174.5-63.3-79.5000113.4F323 V324 N325F323-Y327 WeakPolarHBondContact O-CD2 3.39Å; F323-Y327 WeakPolarHBondContact O-CE2 3.2Å; V324-Y327 PolarHBondContact O-N 3.16Å; V324-Y327 VanDerWaalsContact O-N 3.11Å; N325-Y327 PolarHBondContact O-N 2.79Å
328Y90.4Very high91.7Very high62 Ų6236.9 Ų36.924%0.24319%0.193CC..SBendtrans-122.6158.6-179.4-64.5-82.2000110.1V324 N325 P334 Y336 V337V324-Y328 HydrophobicContact CG1-CD2 4.48Å; V324-Y328 HydrophobicContact CG1-CE2 4.15Å; V324-Y328 WeakPolarHBondContact O-CD2 3.39Å; N325-Y328 PolarHBondContact O-N 3.35Å; Y328-P334 HydrophobicContact CD1-CG 4.4Å; Y328-P334 HydrophobicContact CE1-CG 4.34Å; Y328-Y336 PolarHBondContact OH-OH 2.82Å; Y328-V337 HydrophobicContact CD1-CG2 4.18Å; Y328-V337 HydrophobicContact CD2-CG1 3.95Å; Y328-V337 HydrophobicContact CD2-CG2 4.14Å; Y328-V337 HydrophobicContact CE1-CG2 3.65Å; Y328-V337 HydrophobicContact CE2-CB 4.35Å; Y328-V337 HydrophobicContact CE2-CG1 3.71Å; Y328-V337 HydrophobicContact CE2-CG2 3.62Å; Y328-V337 HydrophobicContact CG-CG2 4.41Å
329V86Confident91.7Very high18 Ų1840.8 Ų40.811%0.10921%0.213CC..  trans-81.9121.9173.5175.60000108.5Q332 P569 F572V329-Q332 HydrophobicContact CB-CB 4.34Å; V329-Q332 HydrophobicContact CG1-CB 4.37Å; V329-Q332 HydrophobicContact CG1-CG 4.4Å; V329-Q332 CarbonylContact O-C 2.92Å; V329-Q332 WeakPolarHBondContact O-CA 3.26Å; V329-Q332 PolarHBondContact O-N 3.22Å; V329-P569 HydrophobicContact CB-CB 4.45Å; V329-P569 HydrophobicContact CG2-CB 4.35Å; V329-P569 WeakPolarHBondContact CG2-O 3.44Å; V329-F572 HydrophobicContact CG1-CB 3.57Å; V329-F572 HydrophobicContact CG1-CG 4.24Å; V329-F572 HydrophobicContact CG2-CB 4.3Å; V329-F572 WeakPolarHBondContact CG2-O 3.46Å
330Q81.9Confident91.7Very high33 Ų3344.1 Ų44.115%0.15423%0.231CC..THydrogen-bonded Turntrans-55.6140.6177.8-70.7-69.9-12.400112F140 Q332 P535 Y574F140-Q330 HydrophobicContact CD1-CB 3.99Å; F140-Q330 HydrophobicContact CD1-CG 3.84Å; F140-Q330 HydrophobicContact CE1-CB 3.73Å; F140-Q330 HydrophobicContact CE1-CG 3.95Å; Q330-Q332 PolarHBondContact O-N 3.07Å; Q330-P535 HydrophobicContact CB-CB 4.03Å; Q330-P535 HydrophobicContact CB-CG 3.77Å; Q330-Y574 WeakPolarHBondContact CG-O 3.47Å; Q330-Y574 PolarHBondContact N-O 3.48Å; Q330-Y574 VanDerWaalsContact N-O 3.11Å
331G79.3Confident91.7Very high57 Ų5743.3 Ų43.359%0.58823%0.226SC*.THydrogen-bonded Turntrans75.2-5.8-172.700000115
332Q85.8Confident91.8Very high43 Ų4347 Ų4720%0.20125%0.245CC..  trans-12722.9178.4-58.7-172.265.400112.2V329 Q330 P334 P569V329-Q332 HydrophobicContact CB-CB 4.34Å; V329-Q332 HydrophobicContact CG1-CB 4.37Å; V329-Q332 HydrophobicContact CG1-CG 4.4Å; V329-Q332 CarbonylContact O-C 2.92Å; V329-Q332 WeakPolarHBondContact O-CA 3.26Å; V329-Q332 PolarHBondContact O-N 3.22Å; Q330-Q332 PolarHBondContact O-N 3.07Å; Q332-P334 WeakPolarHBondContact O-CD 3.38Å; Q332-P569 HydrophobicContact CB-CB 4.47Å
333I88.4Confident92Very high16 Ų1651.5 Ų51.58%0.08227%0.268CS..  trans-70.8121.6-179-62.8150000109.9N325 V337 Y338N325-I333 HydrophobicContact CB-CD1 4.47Å; N325-I333 WeakPolarHBondContact OD1-CD1 3.27Å; N325-I333 WeakPolarHBondContact OD1-CG1 3.45Å; I333-V337 HydrophobicContact CG2-CB 3.62Å; I333-V337 HydrophobicContact CG2-CG1 3.78Å; I333-V337 HydrophobicContact CG2-CG2 4.13Å; I333-Y338 HydrophobicContact CB-CE1 4.35Å; I333-Y338 HydrophobicContact CB-CE2 4.42Å; I333-Y338 HydrophobicContact CD1-CE1 4.46Å; I333-Y338 HydrophobicContact CG2-CD1 4.42Å; I333-Y338 HydrophobicContact CG2-CE1 3.91Å; I333-Y338 HydrophobicContact CG2-CE2 4.13Å
334P92Very high92.2Very high45 Ų4554 Ų5429%0.29228%0.282SS..  trans-63.1147.4178.3-23.133.3000113.2Y328 Q332 Y336 V337Y328-P334 HydrophobicContact CD1-CG 4.4Å; Y328-P334 HydrophobicContact CE1-CG 4.34Å; Q332-P334 WeakPolarHBondContact O-CD 3.38Å; P334-Y336 HydrophobicContact CB-CD1 3.5Å; P334-Y336 VanDerWaalsContact CB-CD1 3.5Å; P334-Y336 HydrophobicContact CB-CE1 3.21Å; P334-Y336 HydrophobicContact CB-CG 4.43Å; P334-Y336 HydrophobicContact CG-CD1 4.47Å; P334-Y336 HydrophobicContact CG-CE1 3.72Å; P334-Y336 PolarHBondContact O-N 2.94Å; P334-Y336 VanDerWaalsContact O-N 3.11Å; P334-V337 HydrophobicContact CB-CG2 4.2Å; P334-V337 HydrophobicContact CG-CG2 4.31Å; P334-V337 VanDerWaalsContact O-CB 3.29Å; P334-V337 WeakPolarHBondContact O-CB 3.5Å; P334-V337 WeakPolarHBondContact O-CG2 3.4Å; P334-V337 PolarHBondContact O-N 3.27Å
335V92.7Very high92.4Very high108 Ų10853 Ų5366%0.65528%0.275SS*.Hα-helixtrans-56.9-34.5-176.2177.90000113.6V337 Y338V335-V337 PolarHBondContact O-N 3.44Å; V335-Y338 PolarHBondContact O-N 3.27Å
336Y95.6Very high92.7Very high125 Ų12555 Ų5549%0.4929%0.293SS..Hα-helixtrans-63.8-25.6179.272.6-99.7000112.7Y328 P334 I339 I340Y328-Y336 PolarHBondContact OH-OH 2.82Å; P334-Y336 HydrophobicContact CB-CD1 3.5Å; P334-Y336 VanDerWaalsContact CB-CD1 3.5Å; P334-Y336 HydrophobicContact CB-CE1 3.21Å; P334-Y336 HydrophobicContact CB-CG 4.43Å; P334-Y336 HydrophobicContact CG-CD1 4.47Å; P334-Y336 HydrophobicContact CG-CE1 3.72Å; P334-Y336 PolarHBondContact O-N 2.94Å; P334-Y336 VanDerWaalsContact O-N 3.11Å; Y336-I339 PolarHBondContact O-N 3.43Å; Y336-I340 HydrophobicContact CD2-CD1 3.83Å; Y336-I340 HydrophobicContact CE2-CD1 4.27Å; Y336-I340 WeakPolarHBondContact O-CG1 3.19Å; Y336-I340 PolarHBondContact O-N 3.32Å
337V96.3Very high93.1Very high0 Ų059.2 Ų59.20%031%0.314CS..Hα-helixtrans-67.1-46.1179.3-178.90000110.1V324 Y328 I333 P334 V335 I339 I340 E341V324-V337 HydrophobicContact CG1-CG1 3.42Å; V324-V337 VanDerWaalsContact CG1-CG1 3.42Å; Y328-V337 HydrophobicContact CD1-CG2 4.18Å; Y328-V337 HydrophobicContact CD2-CG1 3.95Å; Y328-V337 HydrophobicContact CD2-CG2 4.14Å; Y328-V337 HydrophobicContact CE1-CG2 3.65Å; Y328-V337 HydrophobicContact CE2-CB 4.35Å; Y328-V337 HydrophobicContact CE2-CG1 3.71Å; Y328-V337 HydrophobicContact CE2-CG2 3.62Å; Y328-V337 HydrophobicContact CG-CG2 4.41Å; I333-V337 HydrophobicContact CG2-CB 3.62Å; I333-V337 HydrophobicContact CG2-CG1 3.78Å; I333-V337 HydrophobicContact CG2-CG2 4.13Å; P334-V337 HydrophobicContact CB-CG2 4.2Å; P334-V337 HydrophobicContact CG-CG2 4.31Å; P334-V337 VanDerWaalsContact O-CB 3.29Å; P334-V337 WeakPolarHBondContact O-CB 3.5Å; P334-V337 WeakPolarHBondContact O-CG2 3.4Å; P334-V337 PolarHBondContact O-N 3.27Å; V335-V337 PolarHBondContact O-N 3.44Å; V337-I339 PolarHBondContact O-N 2.91Å; V337-I340 CarbonylContact O-C 3.22Å; V337-I340 WeakPolarHBondContact O-CA 3.48Å; V337-I340 WeakPolarHBondContact O-CB 3.46Å; V337-I340 PolarHBondContact O-N 3.49Å; V337-E341 HydrophobicContact CG1-CG 4.39Å; V337-E341 WeakPolarHBondContact O-CG 3.25Å; V337-E341 PolarHBondContact O-N 3.48Å
338Y95.7Very high93.4Very high20 Ų2055.2 Ų55.28%0.07830%0.301CS..Hα-helixtrans-58.8-36.6175.6-56.4-61.5000112.3L37 W41 I333 V335 E341 I342L37-Y338 HydrophobicContact CB-CD1 4.33Å; L37-Y338 HydrophobicContact CD2-CD1 4.26Å; L37-Y338 VanDerWaalsContact O-CE1 3.25Å; L37-Y338 WeakPolarHBondContact O-CE1 3.44Å; W41-Y338 HydrophobicContact CH2-CD1 4.35Å; W41-Y338 AromaticContact CH2-CD2 3.64Å; W41-Y338 HydrophobicContact CH2-CD2 3.64Å; W41-Y338 AromaticContact CH2-CE2 3.98Å; W41-Y338 HydrophobicContact CH2-CE2 3.98Å; W41-Y338 AromaticContact CH2-CG 3.85Å; W41-Y338 HydrophobicContact CH2-CG 3.85Å; W41-Y338 HydrophobicContact CZ2-CD2 4.17Å; W41-Y338 HydrophobicContact CZ2-CE2 4.1Å; W41-Y338 HydrophobicContact CZ3-CG 4.47Å; I333-Y338 HydrophobicContact CB-CE1 4.35Å; I333-Y338 HydrophobicContact CB-CE2 4.42Å; I333-Y338 HydrophobicContact CD1-CE1 4.46Å; I333-Y338 HydrophobicContact CG2-CD1 4.42Å; I333-Y338 HydrophobicContact CG2-CE1 3.91Å; I333-Y338 HydrophobicContact CG2-CE2 4.13Å; V335-Y338 PolarHBondContact O-N 3.27Å; Y338-E341 WeakPolarHBondContact CD1-OE2 3.22Å; Y338-E341 PolarHBondContact O-N 2.76Å; Y338-I342 VanDerWaalsContact O-CG1 3.27Å; Y338-I342 WeakPolarHBondContact O-CG1 3.33Å; Y338-I342 PolarHBondContact O-N 3.23Å
339I96.9Very high93.7Very high97 Ų9752.3 Ų52.350%0.49729%0.289SS..Hα-helixtrans-64.4-45.4175-60.7174000110.1Y336 V337 E341 I342 L343Y336-I339 PolarHBondContact O-N 3.43Å; V337-I339 PolarHBondContact O-N 2.91Å; I339-E341 PolarHBondContact O-N 2.86Å; I339-I342 PolarHBondContact O-N 3.44Å; I339-L343 HydrophobicContact CG2-CD1 4.01Å; I339-L343 HydrophobicContact CG2-CG 4.41Å; I339-L343 WeakPolarHBondContact O-CB 3.28Å; I339-L343 VanDerWaalsContact O-CG 3.26Å; I339-L343 WeakPolarHBondContact O-CG 3.32Å; I339-L343 PolarHBondContact O-N 3.43Å
340I97.5Very high94.2Very high74 Ų7453.2 Ų53.238%0.37929%0.293SS..Hα-helixtrans-60-45.4175.9-68.5169.2000110.6Y336 V337 I342 L343 L344Y336-I340 HydrophobicContact CD2-CD1 3.83Å; Y336-I340 HydrophobicContact CE2-CD1 4.27Å; Y336-I340 WeakPolarHBondContact O-CG1 3.19Å; Y336-I340 PolarHBondContact O-N 3.32Å; V337-I340 CarbonylContact O-C 3.22Å; V337-I340 WeakPolarHBondContact O-CA 3.48Å; V337-I340 WeakPolarHBondContact O-CB 3.46Å; V337-I340 PolarHBondContact O-N 3.49Å; I340-I342 PolarHBondContact O-N 3.19Å; I340-L343 PolarHBondContact O-N 3.42Å; I340-L344 HydrophobicContact CG2-CD1 3.64Å; I340-L344 HydrophobicContact CG2-CG 4.04Å; I340-L344 WeakPolarHBondContact O-CB 3.45Å; I340-L344 VanDerWaalsContact O-CG 3.29Å; I340-L344 WeakPolarHBondContact O-CG 3.28Å; I340-L344 PolarHBondContact O-N 2.9Å
341E97.7Very high94.8Very high0 Ų054.1 Ų54.10%030%0.298CS..Hα-helixtrans-60.2-44.2179-69.8173.2148.500112.2L37 I320 I321 V324 N325 V337 Y338 I339 T345L37-E341 HydrophobicContact CD2-CB 3.87Å; L37-E341 WeakPolarHBondContact CD2-OE2 3.09Å; I320-E341 HydrophobicContact CG2-CB 4.44Å; I321-E341 HydrophobicContact CG1-CB 4.41Å; V324-E341 HydrophobicContact CB-CG 4.01Å; V324-E341 HydrophobicContact CG1-CG 3.85Å; V324-E341 HydrophobicContact CG2-CG 4.32Å; N325-E341 VanDerWaalsContact CG-OE1 3.29Å; N325-E341 PolarHBondContact ND2-OE1 3.4Å; N325-E341 PolarHBondContact OD1-OE1 3.4Å; V337-E341 HydrophobicContact CG1-CG 4.39Å; V337-E341 WeakPolarHBondContact O-CG 3.25Å; V337-E341 PolarHBondContact O-N 3.48Å; Y338-E341 WeakPolarHBondContact CD1-OE2 3.22Å; Y338-E341 PolarHBondContact O-N 2.76Å; I339-E341 PolarHBondContact O-N 2.86Å; E341-T345 WeakPolarHBondContact O-CB 3.04Å; E341-T345 PolarHBondContact O-N 3.26Å; E341-T345 PolarHBondContact O-OG1 3.16Å
342I98Very high95.5Very high85 Ų8551.4 Ų51.444%0.43627%0.27SS..Hα-helixtrans-62.8-45.6175.9-69166.2000110.7L37 Y338 I339 I340 T345 A346L37-I342 HydrophobicContact CD1-CD1 3.88Å; L37-I342 HydrophobicContact CD1-CG1 3.75Å; L37-I342 HydrophobicContact CD2-CG1 4.47Å; Y338-I342 VanDerWaalsContact O-CG1 3.27Å; Y338-I342 WeakPolarHBondContact O-CG1 3.33Å; Y338-I342 PolarHBondContact O-N 3.23Å; I339-I342 PolarHBondContact O-N 3.44Å; I340-I342 PolarHBondContact O-N 3.19Å; I342-T345 PolarHBondContact O-N 3.33Å; I342-A346 WeakPolarHBondContact O-CB 3.46Å; I342-A346 PolarHBondContact O-N 3.31Å
343L98Very high95.8Very high113 Ų11350.8 Ų50.859%0.59227%0.266SS*.Hα-helixtrans-64.7-45.1179.7-71175.7000111.8I339 I340 A346 L347I339-L343 HydrophobicContact CG2-CD1 4.01Å; I339-L343 HydrophobicContact CG2-CG 4.41Å; I339-L343 WeakPolarHBondContact O-CB 3.28Å; I339-L343 VanDerWaalsContact O-CG 3.26Å; I339-L343 WeakPolarHBondContact O-CG 3.32Å; I339-L343 PolarHBondContact O-N 3.43Å; I340-L343 PolarHBondContact O-N 3.42Å; L343-A346 PolarHBondContact O-N 3.1Å; L343-L347 VanDerWaalsContact O-CB 3.24Å; L343-L347 WeakPolarHBondContact O-CB 3.27Å; L343-L347 PolarHBondContact O-N 3.26Å
344L98.1Very high96Very high67 Ų6756.9 Ų56.935%0.35129%0.288SS..Hα-helixtrans-63.9-42.2176.2-71.9178000111.2I320 V324 I340 L347 M348I320-L344 HydrophobicContact CD1-CB 4.14Å; I320-L344 HydrophobicContact CG2-CB 3.84Å; I320-L344 HydrophobicContact CG2-CD1 4.33Å; V324-L344 HydrophobicContact CG2-CD1 4.31Å; I340-L344 HydrophobicContact CG2-CD1 3.64Å; I340-L344 HydrophobicContact CG2-CG 4.04Å; I340-L344 WeakPolarHBondContact O-CB 3.45Å; I340-L344 VanDerWaalsContact O-CG 3.29Å; I340-L344 WeakPolarHBondContact O-CG 3.28Å; I340-L344 PolarHBondContact O-N 2.9Å; L344-L347 PolarHBondContact O-N 2.97Å; L344-M348 WeakPolarHBondContact O-CB 3.5Å; L344-M348 WeakPolarHBondContact O-CG 3.46Å; L344-M348 PolarHBondContact O-N 3.01Å
345T98.3Very high95.9Very high5 Ų559.8 Ų59.83%0.03130%0.296CS..Hα-helixtrans-59.6-50176-63.40000111.1L313 H317 E341 I342 L347 A349L313-T345 HydrophobicContact CD2-CG2 4.21Å; H317-T345 HydrophobicContact CB-CG2 3.64Å; E341-T345 WeakPolarHBondContact O-CB 3.04Å; E341-T345 PolarHBondContact O-N 3.26Å; E341-T345 PolarHBondContact O-OG1 3.16Å; I342-T345 PolarHBondContact O-N 3.33Å; T345-L347 VanDerWaalsContact C-N 3.34Å; T345-L347 PolarHBondContact O-N 3.09Å; T345-A349 WeakPolarHBondContact O-CB 3.39Å; T345-A349 PolarHBondContact O-N 3.44Å
346A97.8Very high95.7Very high49 Ų4954.8 Ų54.841%0.40527%0.266SS..Hα-helixtrans-62.5-41.817800000111.9I342 L343 E350I342-A346 WeakPolarHBondContact O-CB 3.46Å; I342-A346 PolarHBondContact O-N 3.31Å; L343-A346 PolarHBondContact O-N 3.1Å; A346-E350 WeakPolarHBondContact O-CB 3.29Å; A346-E350 PolarHBondContact O-N 3.25Å
347L97.5Very high95.5Very high99 Ų9949 Ų4952%0.51824%0.243SC..Hα-helixtrans-63.6-52.8178.9-179.963.4000111.6L343 L344 T345 E350 I351L343-L347 VanDerWaalsContact O-CB 3.24Å; L343-L347 WeakPolarHBondContact O-CB 3.27Å; L343-L347 PolarHBondContact O-N 3.26Å; L344-L347 PolarHBondContact O-N 2.97Å; T345-L347 VanDerWaalsContact C-N 3.34Å; T345-L347 PolarHBondContact O-N 3.09Å; L347-E350 PolarHBondContact O-N 2.89Å; L347-I351 HydrophobicContact CD1-CD1 4.12Å; L347-I351 HydrophobicContact CG-CD1 4.01Å; L347-I351 WeakPolarHBondContact O-CG1 3.26Å; L347-I351 PolarHBondContact O-N 2.94Å
348M97.3Very high95.1Very high43 Ų4350 Ų5021%0.21225%0.25CC..Hα-helixtrans-67.5-38.2-178.3-68-57.3-70.100111.8W316 I320 L344 E350 I351 S352W316-M348 HydrophobicContact CB-CB 4.18Å; W316-M348 HydrophobicContact CD2-CB 3.54Å; W316-M348 HydrophobicContact CD2-CE 4.46Å; W316-M348 HydrophobicContact CD2-CG 4.47Å; W316-M348 HydrophobicContact CE3-CB 3.58Å; W316-M348 HydrophobicContact CE3-CE 3.92Å; W316-M348 HydrophobicContact CE3-CG 4.03Å; W316-M348 HydrophobicContact CG-CB 3.8Å; W316-M348 HydrophobicContact CH2-CE 3.31Å; W316-M348 HydrophobicContact CZ2-CE 3.93Å; W316-M348 HydrophobicContact CZ3-CB 4.22Å; W316-M348 HydrophobicContact CZ3-CE 3.3Å; W316-M348 HydrophobicContact CZ3-CG 4.32Å; I320-M348 HydrophobicContact CD1-CB 4.06Å; I320-M348 HydrophobicContact CD1-CG 3.99Å; L344-M348 WeakPolarHBondContact O-CB 3.5Å; L344-M348 WeakPolarHBondContact O-CG 3.46Å; L344-M348 PolarHBondContact O-N 3.01Å; M348-E350 VanDerWaalsContact C-N 3.34Å; M348-E350 PolarHBondContact O-N 2.95Å; M348-I351 PolarHBondContact O-N 3.4Å; M348-I351 HydrophobicContact SD-CD1 4.25Å; M348-S352 VanDerWaalsContact O-CB 3.24Å; M348-S352 WeakPolarHBondContact O-CB 3.31Å; M348-S352 PolarHBondContact O-N 3.42Å
349A97.3Very high94.8Very high1 Ų150 Ų501%0.00825%0.252CS..Hα-helixtrans-60.9-42.2171.800000111.6S312 L313 T345 Y353S312-A349 WeakPolarHBondContact CB-O 3.18Å; L313-A349 HydrophobicContact CD2-CB 3.73Å; L313-A349 HydrophobicContact CG-CB 4.09Å; T345-A349 WeakPolarHBondContact O-CB 3.39Å; T345-A349 PolarHBondContact O-N 3.44Å; A349-Y353 WeakPolarHBondContact O-CB 3.38Å; A349-Y353 PolarHBondContact O-N 2.84Å
350E96.1Very high94.3Very high38 Ų3846.4 Ų46.418%0.17823%0.234CC..Hα-helixtrans-70.1-38.1179-164.467179.200112.2R309 A346 L347 M348 R354R309-E350 VanDerWaalsContact CD-OE2 3.28Å; R309-E350 WeakPolarHBondContact CD-OE2 3.24Å; R309-E350 IonicContact CZ-OE1 2.99Å; R309-E350 IonicContact CZ-OE2 3.89Å; R309-E350 IonicContact NE-OE1 3.79Å; R309-E350 PolarHBondContact NE-OE1 3.43Å; R309-E350 IonicContact NE-OE2 2.61Å; R309-E350 PolarHBondContact NE-OE2 3.01Å; R309-E350 IonicContact NH2-OE1 3.8Å; R309-E350 PolarHBondContact NH2-OE1 3.39Å; R309-E350 VanDerWaalsContact NH2-OE1 3.14Å; R309-E350 IonicContact NH2-OE2 2.68Å; A346-E350 WeakPolarHBondContact O-CB 3.29Å; A346-E350 PolarHBondContact O-N 3.25Å; L347-E350 PolarHBondContact O-N 2.89Å; M348-E350 VanDerWaalsContact C-N 3.34Å; M348-E350 PolarHBondContact O-N 2.95Å; E350-R354 HydrophobicContact CG-CG 4.2Å; E350-R354 VanDerWaalsContact O-CB 3.28Å; E350-R354 WeakPolarHBondContact O-CB 3.4Å; E350-R354 WeakPolarHBondContact O-CG 3.21Å; E350-R354 PolarHBondContact O-N 3.42Å; E350-R354 IonicContact OE1-CZ 3.71Å; E350-R354 IonicContact OE1-NE 3.03Å; E350-R354 PolarHBondContact OE1-NE 3.49Å; E350-R354 IonicContact OE1-NH2 3.78Å; E350-R354 PolarHBondContact OE1-NH2 3.18Å
351I93.7Very high93.7Very high51 Ų5146.9 Ų46.926%0.26223%0.23SC..Hα-helixtrans-61.5-52.9174.3-70.6168.4000109.9L347 M348 Y353 F355L347-I351 HydrophobicContact CD1-CD1 4.12Å; L347-I351 HydrophobicContact CG-CD1 4.01Å; L347-I351 WeakPolarHBondContact O-CG1 3.26Å; L347-I351 PolarHBondContact O-N 2.94Å; M348-I351 PolarHBondContact O-N 3.4Å; M348-I351 HydrophobicContact SD-CD1 4.25Å; I351-Y353 PolarHBondContact O-N 3.38Å; I351-F355 HydrophobicContact CB-CD2 4.4Å; I351-F355 HydrophobicContact CG2-CD2 4.14Å; I351-F355 WeakPolarHBondContact O-CB 3.28Å; I351-F355 WeakPolarHBondContact O-CD2 3.41Å; I351-F355 PolarHBondContact O-N 3.37Å
352S94.2Very high93.1Very high0 Ų054.5 Ų54.50%026%0.264CS..Iπ-helixtrans-57-49.7177.7179.30000111.2W316 M348 I356 E357W316-S352 PolarHBondContact NE1-OG 3Å; M348-S352 VanDerWaalsContact O-CB 3.24Å; M348-S352 WeakPolarHBondContact O-CB 3.31Å; M348-S352 PolarHBondContact O-N 3.42Å; S352-I356 CarbonylContact O-C 3.42Å; S352-I356 WeakPolarHBondContact O-CA 3.33Å; S352-I356 WeakPolarHBondContact O-CB 3.3Å; S352-I356 PolarHBondContact O-N 3.11Å; S352-E357 PolarHBondContact O-N 3.25Å
353Y93.2Very high92.5Very high30 Ų3056.4 Ų56.412%0.11827%0.269CS..Iπ-helixtrans-63.1-47.3-177.8179.6-104.1000113.1R309 A349 I351 E357 T358 R361R309-Y353 HydrophobicContact CG-CD1 4.09Å; R309-Y353 HydrophobicContact CG-CD2 4.34Å; R309-Y353 HydrophobicContact CG-CE1 4.36Å; R309-Y353 HydrophobicContact CG-CG 4.09Å; A349-Y353 WeakPolarHBondContact O-CB 3.38Å; A349-Y353 PolarHBondContact O-N 2.84Å; I351-Y353 PolarHBondContact O-N 3.38Å; Y353-E357 WeakPolarHBondContact CD2-OE2 3.32Å; Y353-T358 WeakPolarHBondContact O-CB 3.13Å; Y353-T358 PolarHBondContact O-N 3.22Å; Y353-T358 PolarHBondContact O-OG1 3.03Å; Y353-R361 PolarHBondContact OH-NH2 2.81Å
354R91.9Very high91.7Very high144 Ų14451.4 Ų51.454%0.54325%0.245SC..Iπ-helixtrans-78-41.2-175-71.7-170.9-178.7179.812.9113.1E350 P359E350-R354 HydrophobicContact CG-CG 4.2Å; E350-R354 VanDerWaalsContact O-CB 3.28Å; E350-R354 WeakPolarHBondContact O-CB 3.4Å; E350-R354 WeakPolarHBondContact O-CG 3.21Å; E350-R354 PolarHBondContact O-N 3.42Å; E350-R354 IonicContact OE1-CZ 3.71Å; E350-R354 IonicContact OE1-NE 3.03Å; E350-R354 PolarHBondContact OE1-NE 3.49Å; E350-R354 IonicContact OE1-NH2 3.78Å; E350-R354 PolarHBondContact OE1-NH2 3.18Å; R354-P359 WeakPolarHBondContact O-CD 2.98Å; R354-P359 VanDerWaalsContact O-CG 3.3Å; R354-P359 WeakPolarHBondContact O-CG 3.39Å
355F89.3Confident90.5Very high106 Ų10657.3 Ų57.347%0.46527%0.268SS..Iπ-helixtrans-101-30.2-169.3-58.4-69.1000112.8I351 P359 R380I351-F355 HydrophobicContact CB-CD2 4.4Å; I351-F355 HydrophobicContact CG2-CD2 4.14Å; I351-F355 WeakPolarHBondContact O-CB 3.28Å; I351-F355 WeakPolarHBondContact O-CD2 3.41Å; I351-F355 PolarHBondContact O-N 3.37Å; F355-P359 WeakPolarHBondContact O-CG 3.31Å; F355-R380 HydrophobicContact CB-CG 4.38Å; F355-R380 WeakPolarHBondContact O-CD 3.31Å
356I89.8Confident89.7Confident3 Ų365.4 Ų65.42%0.01530%0.302CS..Iπ-helixtrans-104.1-64.9-178.2-52.3-57.6000110.7P89 F93 S352 P359 I360 V384P89-I356 HydrophobicContact CB-CG2 4.16Å; P89-I356 WeakPolarHBondContact O-CG2 3.25Å; F93-I356 HydrophobicContact CB-CG1 4.48Å; F93-I356 HydrophobicContact CB-CG2 3.97Å; F93-I356 HydrophobicContact CD1-CB 4.48Å; F93-I356 HydrophobicContact CD1-CG1 3.87Å; F93-I356 HydrophobicContact CD2-CD1 4.26Å; F93-I356 HydrophobicContact CD2-CG1 4.04Å; F93-I356 HydrophobicContact CE1-CG1 4.07Å; F93-I356 HydrophobicContact CE2-CD1 4.35Å; F93-I356 HydrophobicContact CE2-CG1 4.21Å; F93-I356 HydrophobicContact CG-CB 4.49Å; F93-I356 HydrophobicContact CG-CG1 3.87Å; F93-I356 HydrophobicContact CG-CG2 4.28Å; F93-I356 HydrophobicContact CZ-CG1 4.24Å; S352-I356 CarbonylContact O-C 3.42Å; S352-I356 WeakPolarHBondContact O-CA 3.33Å; S352-I356 WeakPolarHBondContact O-CB 3.3Å; S352-I356 PolarHBondContact O-N 3.11Å; I356-P359 WeakPolarHBondContact O-CD 3.45Å; I356-I360 HydrophobicContact CG2-CD1 4.05Å; I356-I360 WeakPolarHBondContact O-CD1 3.44Å; I356-I360 WeakPolarHBondContact O-CG1 3.39Å; I356-I360 PolarHBondContact O-N 3.46Å; I356-V384 HydrophobicContact CD1-CG2 4.2Å
357E90.2Very high88.7Confident4 Ų463 Ų632%0.01928%0.283CS..Iπ-helixtrans-60.5-60-173.2-168.5-160129.900111.8A90 S312 S352 Y353 I360 R361A90-E357 HydrophobicContact CB-CB 4.36Å; A90-E357 HydrophobicContact CB-CG 4.49Å; S312-E357 PolarHBondContact OG-OE2 3.35Å; S312-E357 VanDerWaalsContact OG-OE2 3.06Å; S352-E357 PolarHBondContact O-N 3.25Å; Y353-E357 WeakPolarHBondContact CD2-OE2 3.32Å; E357-I360 PolarHBondContact O-N 3.5Å; E357-R361 WeakPolarHBondContact O-CB 3.25Å; E357-R361 PolarHBondContact O-N 3.39Å; E357-R361 IonicContact OE1-CZ 3.3Å; E357-R361 IonicContact OE1-NH1 3.46Å; E357-R361 PolarHBondContact OE1-NH1 2.89Å
358T89.5Confident87.7Confident22 Ų2260.9 Ų60.914%0.13527%0.269CS..Hα-helixtrans-61.7-44.2-172.2-68.90000113.5Y353 R361 K362Y353-T358 WeakPolarHBondContact O-CB 3.13Å; Y353-T358 PolarHBondContact O-N 3.22Å; Y353-T358 PolarHBondContact O-OG1 3.03Å; T358-R361 PolarHBondContact OG1-NH2 2.89Å; T358-K362 HydrophobicContact CG2-CD 4.03Å; T358-K362 HydrophobicContact CG2-CG 4.44Å; T358-K362 WeakPolarHBondContact O-CB 3.39Å; T358-K362 WeakPolarHBondContact O-CG 3.24Å; T358-K362 PolarHBondContact O-N 3.12Å
359P88.2Confident86.6Confident20 Ų2059.6 Ų59.613%0.1327%0.266CS..Hα-helixtrans-66.3-41.5-179.8-27.840000113.3R354 F355 I356 K362 K363 A367R354-P359 WeakPolarHBondContact O-CD 2.98Å; R354-P359 VanDerWaalsContact O-CG 3.3Å; R354-P359 WeakPolarHBondContact O-CG 3.39Å; F355-P359 WeakPolarHBondContact O-CG 3.31Å; I356-P359 WeakPolarHBondContact O-CD 3.45Å; P359-K362 PolarHBondContact O-N 2.93Å; P359-K363 WeakPolarHBondContact O-CB 3.49Å; P359-K363 PolarHBondContact O-N 2.84Å; P359-A367 HydrophobicContact CB-CB 4Å
360I86.3Confident85.6Confident21 Ų2167.2 Ų67.211%0.10830%0.299CS..Hα-helixtrans-72-38.6179.4-62.3161.3000110P89 I356 E357 K362 G364 A367 F368P89-I360 HydrophobicContact CB-CB 4.17Å; P89-I360 HydrophobicContact CB-CD1 3.62Å; P89-I360 HydrophobicContact CB-CG2 4.15Å; P89-I360 HydrophobicContact CG-CB 3.92Å; P89-I360 HydrophobicContact CG-CD1 4.13Å; P89-I360 HydrophobicContact CG-CG2 3.42Å; P89-I360 VanDerWaalsContact CG-CG2 3.42Å; I356-I360 HydrophobicContact CG2-CD1 4.05Å; I356-I360 WeakPolarHBondContact O-CD1 3.44Å; I356-I360 WeakPolarHBondContact O-CG1 3.39Å; I356-I360 PolarHBondContact O-N 3.46Å; E357-I360 PolarHBondContact O-N 3.5Å; I360-K362 VanDerWaalsContact C-N 3.32Å; I360-K362 PolarHBondContact O-N 3Å; I360-G364 WeakPolarHBondContact O-CA 3.25Å; I360-G364 PolarHBondContact O-N 2.91Å; I360-A367 HydrophobicContact CG1-CB 3.89Å; I360-F368 HydrophobicContact CD1-CE2 3.69Å; I360-F368 HydrophobicContact CD1-CZ 3.44Å; I360-F368 VanDerWaalsContact CD1-CZ 3.44Å; I360-F368 HydrophobicContact CG1-CE2 3.78Å; I360-F368 HydrophobicContact CG1-CZ 3.96Å
361R85.4Confident84.5Confident83 Ų8371.2 Ų71.231%0.31332%0.321SS..Hα-helixtrans-55.5-45.4171.3-175.4178.168.9-169.83.4112.2K85 Y353 E357 T358K85-R361 WeakPolarHBondContact O-CA 3.11Å; Y353-R361 PolarHBondContact OH-NH2 2.81Å; E357-R361 WeakPolarHBondContact O-CB 3.25Å; E357-R361 PolarHBondContact O-N 3.39Å; E357-R361 IonicContact OE1-CZ 3.3Å; E357-R361 IonicContact OE1-NH1 3.46Å; E357-R361 PolarHBondContact OE1-NH1 2.89Å; T358-R361 PolarHBondContact OG1-NH2 2.89Å
362K86Confident83.3Confident161 Ų16172.6 Ų72.670%0.733%0.334SS*.Hα-helixtrans-81-36.3-177.6-72.5-175.3176.3-175.60114.1T358 P359 I360T358-K362 HydrophobicContact CG2-CD 4.03Å; T358-K362 HydrophobicContact CG2-CG 4.44Å; T358-K362 WeakPolarHBondContact O-CB 3.39Å; T358-K362 WeakPolarHBondContact O-CG 3.24Å; T358-K362 PolarHBondContact O-N 3.12Å; P359-K362 PolarHBondContact O-N 2.93Å; I360-K362 VanDerWaalsContact C-N 3.32Å; I360-K362 PolarHBondContact O-N 3Å
363K83.9Confident82.3Confident125 Ų12582 Ų8254%0.54337%0.374SS..Hα-helixtrans-119.7-6.7-167.8-59.4-175.9178.9-178.10114.3P359 K366 A367P359-K363 WeakPolarHBondContact O-CB 3.49Å; P359-K363 PolarHBondContact O-N 2.84Å; K363-K366 HydrophobicContact CB-CB 4.34Å; K363-K366 WeakPolarHBondContact O-CB 3.29Å; K363-K366 PolarHBondContact O-N 2.76Å; K363-A367 HydrophobicContact CB-CB 4.3Å
364G81.7Confident81.6Confident8 Ų886.6 Ų86.68%0.08240%0.395CS..G310 helixtrans57.7-143-170.300000111.6I360 K366 A367I360-G364 WeakPolarHBondContact O-CA 3.25Å; I360-G364 PolarHBondContact O-N 2.91Å; G364-K366 PolarHBondContact O-N 3.26Å; G364-K366 VanDerWaalsContact O-N 3.14Å; G364-A367 WeakPolarHBondContact O-CB 3.47Å; G364-A367 PolarHBondContact O-N 2.95Å
365F74Confident81.1Confident190 Ų19088.2 Ų88.283%0.83341%0.406SS*.G310 helixtrans-60.2-21.9177-66.8-72.9000114.2A367 F368F365-A367 PolarHBondContact O-N 3.03Å; F365-F368 PolarHBondContact O-N 3.41Å
366K80.3Confident80.7Confident175 Ų17585.4 Ų85.476%0.76141%0.407SS*.G310 helixtrans-65-4.1172.3-57.9-175.8178-1780113.1K363 G364 F368 Q377K363-K366 HydrophobicContact CB-CB 4.34Å; K363-K366 WeakPolarHBondContact O-CB 3.29Å; K363-K366 PolarHBondContact O-N 2.76Å; G364-K366 PolarHBondContact O-N 3.26Å; G364-K366 VanDerWaalsContact O-N 3.14Å; K366-F368 VanDerWaalsContact C-N 3.25Å; K366-Q377 PolarHBondContact O-NE2 3.35Å
367A77Confident80.3Confident0 Ų086.6 Ų86.60%041%0.413CS..G310 helixtrans-69.7-23169.900000112.7P359 I360 K363 G364 F365 R380P359-A367 HydrophobicContact CB-CB 4Å; I360-A367 HydrophobicContact CG1-CB 3.89Å; K363-A367 HydrophobicContact CB-CB 4.3Å; G364-A367 WeakPolarHBondContact O-CB 3.47Å; G364-A367 PolarHBondContact O-N 2.95Å; F365-A367 PolarHBondContact O-N 3.03Å; A367-R380 PolarHBondContact O-NH1 3.34Å; A367-R380 PolarHBondContact O-NH2 2.94Å
368F75.9Confident80Confident53 Ų5390 Ų9023%0.23243%0.427CS..  trans-103.2152.4-178.8-60.2-75.6000111.4I360 F365 K366 T381 V384I360-F368 HydrophobicContact CD1-CE2 3.69Å; I360-F368 HydrophobicContact CD1-CZ 3.44Å; I360-F368 VanDerWaalsContact CD1-CZ 3.44Å; I360-F368 HydrophobicContact CG1-CE2 3.78Å; I360-F368 HydrophobicContact CG1-CZ 3.96Å; F365-F368 PolarHBondContact O-N 3.41Å; K366-F368 VanDerWaalsContact C-N 3.25Å; F368-T381 WeakPolarHBondContact CA-OG1 3.41Å; F368-T381 WeakPolarHBondContact CB-OG1 3.17Å; F368-V384 HydrophobicContact CE1-CB 4.3Å; F368-V384 HydrophobicContact CE1-CG2 3.84Å; F368-V384 HydrophobicContact CZ-CG2 4.26Å
369A75.3Confident79.8Confident17 Ų1791.7 Ų91.714%0.1444%0.444CS..  trans-153.8129.4172.100000109.6L371 Q377 F378 T381A369-L371 PolarHBondContact O-N 3.25Å; A369-Q377 HydrophobicContact CB-CB 3.66Å; A369-Q377 VanDerWaalsContact CB-OE1 3.31Å; A369-F378 WeakPolarHBondContact O-CA 3.11Å; A369-T381 PolarHBondContact N-OG1 3.3Å; A369-T381 PolarHBondContact O-OG1 3.29Å
370F75.1Confident79.6Confident160 Ų16092.3 Ų92.370%0.70244%0.444SS*.SBendtrans-75.5-14.7172.4-65.7-82.5000112.7F378 T381 I385F370-F378 WeakPolarHBondContact O-CD2 3.36Å; F370-F378 VanDerWaalsContact O-CE2 3.29Å; F370-F378 WeakPolarHBondContact O-CE2 3.25Å; F370-T381 HydrophobicContact CD1-CG2 4.03Å; F370-T381 HydrophobicContact CE1-CG2 3.91Å; F370-T381 HydrophobicContact CZ-CG2 4.27Å; F370-I385 HydrophobicContact CE1-CD1 3.77Å
371L72.7Confident79.5Confident122 Ų12291.7 Ų91.764%0.63944%0.441SS*.SBendtrans-82.3123.1179.6-69.7166.9000111A369 K373 K374A369-L371 PolarHBondContact O-N 3.25Å; L371-K373 PolarHBondContact O-N 3.11Å; L371-K374 PolarHBondContact O-N 2.67Å
372P69.8Low79.4Confident81 Ų8190.2 Ų90.253%0.52644%0.441SS..THydrogen-bonded Turntrans-65.5-14-177.625.6-34000113.7K374 K375 F378P372-K374 PolarHBondContact O-N 2.9Å; P372-K374 VanDerWaalsContact O-N 3.16Å; P372-K375 PolarHBondContact O-N 3.19Å; P372-F378 HydrophobicContact CB-CD1 4.29Å; P372-F378 HydrophobicContact CB-CD2 4.41Å; P372-F378 HydrophobicContact CB-CE1 4.36Å; P372-F378 HydrophobicContact CB-CE2 4.48Å; P372-F378 HydrophobicContact CB-CG 4.31Å; P372-F378 HydrophobicContact CB-CZ 4.46Å
373K73Confident79.4Confident196 Ų19685.7 Ų85.785%0.85242%0.424SS*.THydrogen-bonded Turntrans-57.8-28.2176.6-65.9-170.7179-176.20113.1L371L371-K373 PolarHBondContact O-N 3.11Å
374K79Confident79.5Confident127 Ų12781.8 Ų81.855%0.55241%0.411SS*.SBendtrans-103.371.8175.1-65.9-176.4-177.2174.50110L371 P372 G376 Q377 F378L371-K374 PolarHBondContact O-N 2.67Å; P372-K374 PolarHBondContact O-N 2.9Å; P372-K374 VanDerWaalsContact O-N 3.16Å; K374-G376 VanDerWaalsContact C-N 3.28Å; K374-G376 PolarHBondContact O-N 3.33Å; K374-Q377 HydrophobicContact CB-CB 3.98Å; K374-Q377 HydrophobicContact CB-CG 4.16Å; K374-Q377 WeakPolarHBondContact O-CA 3.4Å; K374-Q377 WeakPolarHBondContact O-CB 3.25Å; K374-Q377 PolarHBondContact O-N 3.49Å; K374-F378 PolarHBondContact O-N 2.98Å
375K81Confident79.6Confident178 Ų17885 Ų8577%0.77443%0.425SS*.Hα-helixtrans-39.5-49.9-172-65.6-172.1179.1-175.70114.2P372 F378 A379P372-K375 PolarHBondContact O-N 3.19Å; K375-F378 PolarHBondContact O-N 2.89Å; K375-A379 WeakPolarHBondContact O-CB 3.46Å; K375-A379 PolarHBondContact O-N 3.4Å
376G81.6Confident80.3Confident48 Ų4881.5 Ų81.550%0.49542%0.415SS..Hα-helixtrans-70.8-29179.800000115.3K374 R380K374-G376 VanDerWaalsContact C-N 3.28Å; K374-G376 PolarHBondContact O-N 3.33Å; G376-R380 VanDerWaalsContact O-CG 3.32Å; G376-R380 WeakPolarHBondContact O-CG 3.25Å; G376-R380 PolarHBondContact O-NE 3.09Å
377Q81.4Confident80.6Confident28 Ų2874.3 Ų74.313%0.13139%0.385CS..Hα-helixtrans-75.7-41.3171.6-64.7-174.6-1200110.8K366 A369 K374 R380 T381K366-Q377 PolarHBondContact O-NE2 3.35Å; A369-Q377 HydrophobicContact CB-CB 3.66Å; A369-Q377 VanDerWaalsContact CB-OE1 3.31Å; K374-Q377 HydrophobicContact CB-CB 3.98Å; K374-Q377 HydrophobicContact CB-CG 4.16Å; K374-Q377 WeakPolarHBondContact O-CA 3.4Å; K374-Q377 WeakPolarHBondContact O-CB 3.25Å; K374-Q377 PolarHBondContact O-N 3.49Å; Q377-R380 VanDerWaalsContact CG-NH2 3.3Å; Q377-R380 PolarHBondContact O-N 2.98Å; Q377-T381 PolarHBondContact O-N 3.38Å; Q377-T381 PolarHBondContact O-OG1 2.99Å
378F83.5Confident81.2Confident74 Ų7478 Ų7833%0.32540%0.404SS..Hα-helixtrans-62.8-51.9177.9-176.2-106000112A369 F370 P372 K374 K375 R380 T381 V382A369-F378 WeakPolarHBondContact O-CA 3.11Å; F370-F378 WeakPolarHBondContact O-CD2 3.36Å; F370-F378 VanDerWaalsContact O-CE2 3.29Å; F370-F378 WeakPolarHBondContact O-CE2 3.25Å; P372-F378 HydrophobicContact CB-CD1 4.29Å; P372-F378 HydrophobicContact CB-CD2 4.41Å; P372-F378 HydrophobicContact CB-CE1 4.36Å; P372-F378 HydrophobicContact CB-CE2 4.48Å; P372-F378 HydrophobicContact CB-CG 4.31Å; P372-F378 HydrophobicContact CB-CZ 4.46Å; K374-F378 PolarHBondContact O-N 2.98Å; K375-F378 PolarHBondContact O-N 2.89Å; F378-R380 VanDerWaalsContact C-N 3.26Å; F378-R380 PolarHBondContact O-N 2.9Å; F378-T381 WeakPolarHBondContact O-CA 3.04Å; F378-T381 WeakPolarHBondContact O-CB 3.42Å; F378-T381 PolarHBondContact O-N 3.33Å; F378-V382 HydrophobicContact CD1-CG2 4.1Å; F378-V382 HydrophobicContact CD2-CG2 4.39Å; F378-V382 HydrophobicContact CE1-CG2 3.7Å; F378-V382 HydrophobicContact CE2-CG2 4.02Å; F378-V382 HydrophobicContact CG-CG2 4.42Å; F378-V382 HydrophobicContact CZ-CG2 3.66Å; F378-V382 WeakPolarHBondContact O-CG2 3.46Å; F378-V382 PolarHBondContact O-N 2.82Å
379A84.5Confident81.8Confident59 Ų5979.5 Ų79.549%0.48842%0.417SS..Hα-helixtrans-55.7-40.3178.300000112.6K375 L383K375-A379 WeakPolarHBondContact O-CB 3.46Å; K375-A379 PolarHBondContact O-N 3.4Å; A379-L383 WeakPolarHBondContact O-CB 3.3Å; A379-L383 PolarHBondContact O-N 2.7Å
380R84.6Confident82.4Confident32 Ų3280.2 Ų80.212%0.12142%0.42CS..Hα-helixtrans-67.5-37.5175.2-72.9-177.2-74.5129.44.8112.9F355 A367 G376 Q377 F378 V384F355-R380 HydrophobicContact CB-CG 4.38Å; F355-R380 WeakPolarHBondContact O-CD 3.31Å; A367-R380 PolarHBondContact O-NH1 3.34Å; A367-R380 PolarHBondContact O-NH2 2.94Å; G376-R380 VanDerWaalsContact O-CG 3.32Å; G376-R380 WeakPolarHBondContact O-CG 3.25Å; G376-R380 PolarHBondContact O-NE 3.09Å; Q377-R380 VanDerWaalsContact CG-NH2 3.3Å; Q377-R380 PolarHBondContact O-N 2.98Å; F378-R380 VanDerWaalsContact C-N 3.26Å; F378-R380 PolarHBondContact O-N 2.9Å; R380-V384 WeakPolarHBondContact O-CG2 3.41Å; R380-V384 PolarHBondContact O-N 3.42Å
381T83Confident83.1Confident8 Ų872.7 Ų72.75%0.04939%0.388CS..Hα-helixtrans-65.9-47.6176.7-50.80000110F368 A369 F370 Q377 F378 V384 I385F368-T381 WeakPolarHBondContact CA-OG1 3.41Å; F368-T381 WeakPolarHBondContact CB-OG1 3.17Å; A369-T381 PolarHBondContact N-OG1 3.3Å; A369-T381 PolarHBondContact O-OG1 3.29Å; F370-T381 HydrophobicContact CD1-CG2 4.03Å; F370-T381 HydrophobicContact CE1-CG2 3.91Å; F370-T381 HydrophobicContact CZ-CG2 4.27Å; Q377-T381 PolarHBondContact O-N 3.38Å; Q377-T381 PolarHBondContact O-OG1 2.99Å; F378-T381 WeakPolarHBondContact O-CA 3.04Å; F378-T381 WeakPolarHBondContact O-CB 3.42Å; F378-T381 PolarHBondContact O-N 3.33Å; T381-V384 PolarHBondContact O-N 3.31Å; T381-I385 HydrophobicContact CG2-CD1 3.85Å; T381-I385 WeakPolarHBondContact O-CB 3.18Å; T381-I385 VanDerWaalsContact O-CG1 3.27Å; T381-I385 WeakPolarHBondContact O-CG1 3.37Å; T381-I385 PolarHBondContact O-N 3.39Å
382V84.6Confident84Confident53 Ų5371.6 Ų71.632%0.32138%0.381SS..Hα-helixtrans-59.6-48.3176.21740000111F378 V384 I385 L386F378-V382 HydrophobicContact CD1-CG2 4.1Å; F378-V382 HydrophobicContact CD2-CG2 4.39Å; F378-V382 HydrophobicContact CE1-CG2 3.7Å; F378-V382 HydrophobicContact CE2-CG2 4.02Å; F378-V382 HydrophobicContact CG-CG2 4.42Å; F378-V382 HydrophobicContact CZ-CG2 3.66Å; F378-V382 WeakPolarHBondContact O-CG2 3.46Å; F378-V382 PolarHBondContact O-N 2.82Å; V382-V384 PolarHBondContact O-N 2.98Å; V382-I385 PolarHBondContact O-N 3.49Å; V382-L386 HydrophobicContact CG1-CD1 3.7Å; V382-L386 HydrophobicContact CG1-CG 4.12Å; V382-L386 WeakPolarHBondContact O-CB 3.22Å; V382-L386 VanDerWaalsContact O-CG 3.29Å; V382-L386 WeakPolarHBondContact O-CG 3.16Å; V382-L386 PolarHBondContact O-N 3.12Å
383L86.2Confident85Confident66 Ų6670 Ų7035%0.34637%0.37SS..Hα-helixtrans-58.1-46.9178.2178.264.3000112.2F93 A379 L386 L387F93-L383 HydrophobicContact CE2-CD2 4.04Å; F93-L383 HydrophobicContact CE2-CG 4.3Å; F93-L383 HydrophobicContact CZ-CD2 4.34Å; A379-L383 WeakPolarHBondContact O-CB 3.3Å; A379-L383 PolarHBondContact O-N 2.7Å; L383-L386 PolarHBondContact O-N 2.91Å; L383-L387 HydrophobicContact CD1-CD1 3.91Å; L383-L387 HydrophobicContact CD1-CG 4.4Å; L383-L387 HydrophobicContact CG-CD1 4.14Å; L383-L387 WeakPolarHBondContact O-CG 3.39Å; L383-L387 PolarHBondContact O-N 3.13Å; L383-L387 VanDerWaalsContact O-N 3.14Å
384V84.5Confident85.8Confident42 Ų4260.7 Ų60.726%0.25533%0.33SS..Hα-helixtrans-63.6-43.2178.2169.70000110.8I356 F368 R380 T381 V382 L387 L388I356-V384 HydrophobicContact CD1-CG2 4.2Å; F368-V384 HydrophobicContact CE1-CB 4.3Å; F368-V384 HydrophobicContact CE1-CG2 3.84Å; F368-V384 HydrophobicContact CZ-CG2 4.26Å; R380-V384 WeakPolarHBondContact O-CG2 3.41Å; R380-V384 PolarHBondContact O-N 3.42Å; T381-V384 PolarHBondContact O-N 3.31Å; V382-V384 PolarHBondContact O-N 2.98Å; V384-L387 PolarHBondContact O-N 3.12Å; V384-L388 WeakPolarHBondContact O-CB 3.15Å; V384-L388 PolarHBondContact O-N 3.33Å
385I84.3Confident86.5Confident75 Ų7557.1 Ų57.139%0.38532%0.316SS..Hα-helixtrans-63.4-46.2178.1-69.2168.5000111.2F370 T381 V382 L387 L388 V389F370-I385 HydrophobicContact CE1-CD1 3.77Å; T381-I385 HydrophobicContact CG2-CD1 3.85Å; T381-I385 WeakPolarHBondContact O-CB 3.18Å; T381-I385 VanDerWaalsContact O-CG1 3.27Å; T381-I385 WeakPolarHBondContact O-CG1 3.37Å; T381-I385 PolarHBondContact O-N 3.39Å; V382-I385 PolarHBondContact O-N 3.49Å; I385-L387 PolarHBondContact O-N 3.31Å; I385-L388 PolarHBondContact O-N 3.24Å; I385-V389 HydrophobicContact CG2-CG2 4.42Å; I385-V389 WeakPolarHBondContact O-CG2 3.3Å; I385-V389 PolarHBondContact O-N 3.19Å; I385-V389 VanDerWaalsContact O-N 3.07Å
386L88.1Confident87Confident117 Ų11752.1 Ų52.161%0.61330%0.304SS*.Hα-helixtrans-59.9-33.6179.7-75.9174.9000112.6V382 L383 P390V382-L386 HydrophobicContact CG1-CD1 3.7Å; V382-L386 HydrophobicContact CG1-CG 4.12Å; V382-L386 WeakPolarHBondContact O-CB 3.22Å; V382-L386 VanDerWaalsContact O-CG 3.29Å; V382-L386 WeakPolarHBondContact O-CG 3.16Å; V382-L386 PolarHBondContact O-N 3.12Å; L383-L386 PolarHBondContact O-N 2.91Å; L386-P390 WeakPolarHBondContact O-CD 3.37Å; L386-P390 WeakPolarHBondContact O-CG 3.06Å
387L87.9Confident87.5Confident25 Ų2550.7 Ų50.713%0.13129%0.289CS..Hα-helixtrans-85.5-31176.7-69.3170000112.8F93 C96 V97 T100 L383 V384 I385 S391F93-L387 HydrophobicContact CD2-CD1 3.87Å; F93-L387 HydrophobicContact CE2-CD1 3.41Å; F93-L387 VanDerWaalsContact CE2-CD1 3.41Å; F93-L387 HydrophobicContact CZ-CD1 4.4Å; C96-L387 HydrophobicContact CB-CB 3.85Å; V97-L387 HydrophobicContact CG2-CD1 3.6Å; V97-L387 HydrophobicContact CG2-CD2 4.01Å; V97-L387 HydrophobicContact CG2-CG 4.43Å; T100-L387 HydrophobicContact CG2-CD2 4.44Å; L383-L387 HydrophobicContact CD1-CD1 3.91Å; L383-L387 HydrophobicContact CD1-CG 4.4Å; L383-L387 HydrophobicContact CG-CD1 4.14Å; L383-L387 WeakPolarHBondContact O-CG 3.39Å; L383-L387 PolarHBondContact O-N 3.13Å; L383-L387 VanDerWaalsContact O-N 3.14Å; V384-L387 PolarHBondContact O-N 3.12Å; I385-L387 PolarHBondContact O-N 3.31Å; L387-S391 WeakPolarHBondContact O-CB 3.09Å; L387-S391 PolarHBondContact O-N 3Å; L387-S391 PolarHBondContact O-OG 3.12Å
388L88.9Confident87.9Confident77 Ų7756.2 Ų56.240%0.40332%0.315SS..Hα-helixtrans-70.4-37.6-178.7-170.269.1000111.6V384 I385 S391 I392V384-L388 WeakPolarHBondContact O-CB 3.15Å; V384-L388 PolarHBondContact O-N 3.33Å; I385-L388 PolarHBondContact O-N 3.24Å; L388-S391 WeakPolarHBondContact O-CB 3.08Å; L388-S391 PolarHBondContact O-N 3.03Å; L388-I392 HydrophobicContact CD1-CD1 4.44Å; L388-I392 HydrophobicContact CD2-CD1 4.2Å; L388-I392 HydrophobicContact CG-CD1 3.79Å; L388-I392 HydrophobicContact CG-CG1 4.26Å; L388-I392 VanDerWaalsContact O-CG1 3.31Å; L388-I392 WeakPolarHBondContact O-CG1 3.21Å; L388-I392 PolarHBondContact O-N 2.56Å
389V88.4Confident88.2Confident84 Ų8455.9 Ų55.951%0.50931%0.313SS..Hα-helixtrans-61.9-55.6-178.2171.30000112.4I385 S391 I392 V393I385-V389 HydrophobicContact CG2-CG2 4.42Å; I385-V389 WeakPolarHBondContact O-CG2 3.3Å; I385-V389 PolarHBondContact O-N 3.19Å; I385-V389 VanDerWaalsContact O-N 3.07Å; V389-S391 PolarHBondContact O-N 3.46Å; V389-I392 PolarHBondContact O-N 2.9Å; V389-V393 WeakPolarHBondContact O-CG2 3.28Å; V389-V393 PolarHBondContact O-N 2.85Å; V389-V393 VanDerWaalsContact O-N 3.07Å
390P88.3Confident88.5Confident33 Ų3354.7 Ų54.721%0.21430%0.299CS..Hα-helixtrans-56.5-39.5175.3-23.632.8000112.1T100 L103 L386 V393 V394T100-P390 HydrophobicContact CG2-CB 4.47Å; T100-P390 HydrophobicContact CG2-CG 4.47Å; L103-P390 HydrophobicContact CD2-CB 4.34Å; L386-P390 WeakPolarHBondContact O-CD 3.37Å; L386-P390 WeakPolarHBondContact O-CG 3.06Å; P390-V393 PolarHBondContact O-N 3.3Å; P390-V394 VanDerWaalsContact O-CG2 3.3Å; P390-V394 WeakPolarHBondContact O-CG2 3.31Å; P390-V394 PolarHBondContact O-N 3.08Å
391S90.5Very high88.7Confident2 Ų256.1 Ų56.11%0.01432%0.318CS..Hα-helixtrans-62.5-45.6179.3-56.40000112.1C96 L387 L388 V389 V393 V394 L395C96-S391 WeakPolarHBondContact CA-OG 3.33Å; C96-S391 VanDerWaalsContact CB-OG 3.32Å; C96-S391 WeakPolarHBondContact CB-OG 3.32Å; C96-S391 PolarHBondContact O-OG 2.68Å; L387-S391 WeakPolarHBondContact O-CB 3.09Å; L387-S391 PolarHBondContact O-N 3Å; L387-S391 PolarHBondContact O-OG 3.12Å; L388-S391 WeakPolarHBondContact O-CB 3.08Å; L388-S391 PolarHBondContact O-N 3.03Å; V389-S391 PolarHBondContact O-N 3.46Å; S391-V393 VanDerWaalsContact C-N 3.32Å; S391-V393 PolarHBondContact O-N 3.25Å; S391-V394 PolarHBondContact O-N 3.07Å; S391-L395 WeakPolarHBondContact O-CB 3.48Å; S391-L395 WeakPolarHBondContact O-CG 3.4Å; S391-L395 PolarHBondContact O-N 3.41Å
392I91.5Very high88.8Confident98 Ų9858.8 Ų58.850%0.50333%0.331SS..Hα-helixtrans-61-43.2175.3-70.2167.9000110.5L388 V389 L395 S396L388-I392 HydrophobicContact CD1-CD1 4.44Å; L388-I392 HydrophobicContact CD2-CD1 4.2Å; L388-I392 HydrophobicContact CG-CD1 3.79Å; L388-I392 HydrophobicContact CG-CG1 4.26Å; L388-I392 VanDerWaalsContact O-CG1 3.31Å; L388-I392 WeakPolarHBondContact O-CG1 3.21Å; L388-I392 PolarHBondContact O-N 2.56Å; V389-I392 PolarHBondContact O-N 2.9Å; I392-L395 PolarHBondContact O-N 2.95Å; I392-S396 WeakPolarHBondContact O-CB 3.19Å; I392-S396 PolarHBondContact O-N 3.14Å
393V89.8Confident88.7Confident48 Ų4856.3 Ų56.329%0.29132%0.316SS..Hα-helixtrans-64.5-44.3179.6-179.40000111V389 P390 S391 S396 Q398 F399V389-V393 WeakPolarHBondContact O-CG2 3.28Å; V389-V393 PolarHBondContact O-N 2.85Å; V389-V393 VanDerWaalsContact O-N 3.07Å; P390-V393 PolarHBondContact O-N 3.3Å; S391-V393 VanDerWaalsContact C-N 3.32Å; S391-V393 PolarHBondContact O-N 3.25Å; V393-S396 PolarHBondContact O-N 3.23Å; V393-S396 PolarHBondContact O-OG 2.92Å; V393-Q398 HydrophobicContact CG1-CB 3.82Å; V393-Q398 HydrophobicContact CG1-CG 4.2Å; V393-F399 HydrophobicContact CB-CE2 4.1Å; V393-F399 HydrophobicContact CG1-CD2 3.86Å; V393-F399 HydrophobicContact CG1-CE2 3.34Å; V393-F399 HydrophobicContact CG1-CZ 4.12Å
394V90.7Very high88.7Confident1 Ų159.4 Ų59.41%0.00633%0.327CS..Hα-helixtrans-59.9-48.3173.8171.40000111L99 L103 I110 K114 P390 S391 S396 G397 F399L99-V394 HydrophobicContact CD2-CG1 3.81Å; L103-V394 HydrophobicContact CB-CG2 4.18Å; L103-V394 HydrophobicContact CD1-CG2 4.22Å; L103-V394 HydrophobicContact CD2-CG2 3.95Å; L103-V394 HydrophobicContact CG-CG2 4.35Å; I110-V394 HydrophobicContact CD1-CB 4.38Å; I110-V394 HydrophobicContact CD1-CG1 3.52Å; I110-V394 HydrophobicContact CD1-CG2 3.87Å; I110-V394 HydrophobicContact CG1-CG1 3.83Å; I110-V394 HydrophobicContact CG1-CG2 4.45Å; K114-V394 WeakPolarHBondContact CD-O 3.39Å; P390-V394 VanDerWaalsContact O-CG2 3.3Å; P390-V394 WeakPolarHBondContact O-CG2 3.31Å; P390-V394 PolarHBondContact O-N 3.08Å; S391-V394 PolarHBondContact O-N 3.07Å; V394-S396 PolarHBondContact O-N 3.29Å; V394-G397 PolarHBondContact O-N 3.49Å; V394-F399 HydrophobicContact CG2-CD2 3.86Å; V394-F399 HydrophobicContact CG2-CE2 4.43Å
395L92.6Very high88.4Confident51 Ų5163.4 Ų63.427%0.26734%0.343SS..Hα-helixtrans-63.3-29.9179.7-69.5173.7000112.7L99 K114 A117 I118 I121 S391 I392 G397L99-L395 HydrophobicContact CD1-CD1 4.46Å; L99-L395 HydrophobicContact CD1-CD2 4.31Å; L99-L395 HydrophobicContact CD1-CG 4.2Å; K114-L395 HydrophobicContact CG-CD2 4.14Å; A117-L395 HydrophobicContact CB-CD2 4.23Å; I118-L395 HydrophobicContact CD1-CD2 4.44Å; I118-L395 HydrophobicContact CG1-CD2 3.81Å; I121-L395 HydrophobicContact CD1-CD1 3.97Å; S391-L395 WeakPolarHBondContact O-CB 3.48Å; S391-L395 WeakPolarHBondContact O-CG 3.4Å; S391-L395 PolarHBondContact O-N 3.41Å; I392-L395 PolarHBondContact O-N 2.95Å; L395-G397 PolarHBondContact O-N 3.23Å
396S92.5Very high87.7Confident74 Ų7463 Ų6352%0.51734%0.339SS..THydrogen-bonded Turntrans-72.6-8.6174.974.20000114.2I392 V393 V394 Q398I392-S396 WeakPolarHBondContact O-CB 3.19Å; I392-S396 PolarHBondContact O-N 3.14Å; V393-S396 PolarHBondContact O-N 3.23Å; V393-S396 PolarHBondContact O-OG 2.92Å; V394-S396 PolarHBondContact O-N 3.29Å; S396-Q398 VanDerWaalsContact OG-CG 3.3Å; S396-Q398 WeakPolarHBondContact OG-CG 3.37Å
397G90.7Very high86.8Confident18 Ų1861.8 Ų61.819%0.18633%0.331CS..THydrogen-bonded Turntrans83.96.4176.900000115.4V394 L395 F399 D400V394-G397 PolarHBondContact O-N 3.49Å; L395-G397 PolarHBondContact O-N 3.23Å; G397-F399 PolarHBondContact O-N 3.25Å; G397-F399 VanDerWaalsContact O-N 3.14Å; G397-D400 WeakPolarHBondContact CA-OD1 3.38Å; G397-D400 VanDerWaalsContact O-CB 3.31Å; G397-D400 WeakPolarHBondContact O-CB 3.42Å; G397-D400 PolarHBondContact O-N 3.41Å
398Q91Very high85.6Confident144 Ų14463.5 Ų63.567%0.67335%0.348SS*.THydrogen-bonded Turntrans-59.4-26.1179.3-68.8-68.6-16.800113.1V393 S396V393-Q398 HydrophobicContact CG1-CB 3.82Å; V393-Q398 HydrophobicContact CG1-CG 4.2Å; S396-Q398 VanDerWaalsContact OG-CG 3.3Å; S396-Q398 WeakPolarHBondContact OG-CG 3.37Å
399F89.8Confident84.2Confident66 Ų6665.6 Ų65.629%0.28936%0.356SS..THydrogen-bonded Turntrans-99.56.4178-66.6-65.9000114.2L103 I110 V393 V394 G397 A401 L402L103-F399 HydrophobicContact CD1-CB 3.99Å; L103-F399 HydrophobicContact CD1-CD1 3.72Å; L103-F399 HydrophobicContact CD1-CD2 3.5Å; L103-F399 VanDerWaalsContact CD1-CD2 3.5Å; L103-F399 HydrophobicContact CD1-CE1 4Å; L103-F399 HydrophobicContact CD1-CE2 3.77Å; L103-F399 HydrophobicContact CD1-CG 3.46Å; L103-F399 VanDerWaalsContact CD1-CG 3.46Å; L103-F399 HydrophobicContact CD1-CZ 4.02Å; L103-F399 HydrophobicContact CD2-CD2 4.04Å; L103-F399 HydrophobicContact CD2-CE2 3.61Å; L103-F399 HydrophobicContact CD2-CZ 4.02Å; L103-F399 HydrophobicContact CG-CD2 4.44Å; L103-F399 HydrophobicContact CG-CE2 4.35Å; I110-F399 HydrophobicContact CG1-CB 4.26Å; I110-F399 WeakPolarHBondContact CG2-O 3.42Å; V393-F399 HydrophobicContact CB-CE2 4.1Å; V393-F399 HydrophobicContact CG1-CD2 3.86Å; V393-F399 HydrophobicContact CG1-CE2 3.34Å; V393-F399 HydrophobicContact CG1-CZ 4.12Å; V394-F399 HydrophobicContact CG2-CD2 3.86Å; V394-F399 HydrophobicContact CG2-CE2 4.43Å; G397-F399 PolarHBondContact O-N 3.25Å; G397-F399 VanDerWaalsContact O-N 3.14Å; F399-A401 PolarHBondContact O-N 3.32Å; F399-A401 VanDerWaalsContact O-N 3.12Å; F399-L402 HydrophobicContact CB-CD1 4.25Å; F399-L402 HydrophobicContact CD1-CD1 3.74Å; F399-L402 HydrophobicContact CG-CD1 4.38Å; F399-L402 WeakPolarHBondContact O-CB 3.42Å; F399-L402 PolarHBondContact O-N 2.92Å
400D90.7Very high82.8Confident34 Ų3467.4 Ų67.418%0.18236%0.357CS..Hα-helixtrans-59.4-28-179.4-78.310.2000112.5I111 K114 G397 L402 G403 K404I111-D400 HydrophobicContact CG1-CB 4.44Å; K114-D400 IonicContact NZ-OD1 3.75Å; K114-D400 PolarHBondContact NZ-OD1 3.48Å; K114-D400 IonicContact NZ-OD2 3.86Å; K114-D400 PolarHBondContact NZ-OD2 2.92Å; G397-D400 WeakPolarHBondContact CA-OD1 3.38Å; G397-D400 VanDerWaalsContact O-CB 3.31Å; G397-D400 WeakPolarHBondContact O-CB 3.42Å; G397-D400 PolarHBondContact O-N 3.41Å; D400-L402 VanDerWaalsContact C-N 3.26Å; D400-L402 PolarHBondContact O-N 2.91Å; D400-G403 PolarHBondContact O-N 3Å; D400-K404 WeakPolarHBondContact O-CG 3.45Å; D400-K404 PolarHBondContact O-N 2.9Å; D400-K404 VanDerWaalsContact O-N 3.07Å
401A88.8Confident81.2Confident63 Ų6374.4 Ų74.452%0.52138%0.384SS..Hα-helixtrans-59.1-37.317700000112.4F399 K404 Q405F399-A401 PolarHBondContact O-N 3.32Å; F399-A401 VanDerWaalsContact O-N 3.12Å; A401-K404 PolarHBondContact O-N 3.36Å; A401-Q405 WeakPolarHBondContact O-CG 3.35Å; A401-Q405 PolarHBondContact O-N 3.02Å
402L85.6Confident79.4Confident63 Ų6382.4 Ų82.433%0.3342%0.421SS..Hα-helixtrans-63.8-42.5178.9-62.6176.3000111.4L103 P107 F399 D400 H406L103-L402 HydrophobicContact CD1-CD1 4.42Å; P107-L402 HydrophobicContact CB-CB 4.19Å; P107-L402 HydrophobicContact CB-CD1 4.22Å; F399-L402 HydrophobicContact CB-CD1 4.25Å; F399-L402 HydrophobicContact CD1-CD1 3.74Å; F399-L402 HydrophobicContact CG-CD1 4.38Å; F399-L402 WeakPolarHBondContact O-CB 3.42Å; F399-L402 PolarHBondContact O-N 2.92Å; D400-L402 VanDerWaalsContact C-N 3.26Å; D400-L402 PolarHBondContact O-N 2.91Å; L402-H406 PolarHBondContact O-CD2 3.3Å
403G82.9Confident77.9Confident1 Ų184.6 Ų84.61%0.0143%0.427CS..Hα-helixtrans-68.6-40.2176.600000113D400 Q405 H406 E407D400-G403 PolarHBondContact O-N 3Å; G403-Q405 VanDerWaalsContact C-N 3.33Å; G403-Q405 PolarHBondContact O-N 3.48Å; G403-H406 PolarHBondContact O-N 3.11Å; G403-E407 PolarHBondContact O-N 3.1Å
404K84.6Confident76.7Confident131 Ų13188.1 Ų88.157%0.5744%0.439SS*.Hα-helixtrans-64.4-34.5-178.5-73.7-178.8-175.2177.10113.1I111 D400 A401 H406 E407 A408I111-K404 HydrophobicContact CD1-CG 3.75Å; D400-K404 WeakPolarHBondContact O-CG 3.45Å; D400-K404 PolarHBondContact O-N 2.9Å; D400-K404 VanDerWaalsContact O-N 3.07Å; A401-K404 PolarHBondContact O-N 3.36Å; K404-H406 VanDerWaalsContact C-N 3.34Å; K404-E407 PolarHBondContact O-N 3.02Å; K404-A408 PolarHBondContact O-N 3.36Å
405Q78.6Confident76Confident126 Ų12693 Ų9359%0.58947%0.468SS*.Hα-helixtrans-60.5-44.9175.7-74.9175-28.100111A401 G403 A408 E409A401-Q405 WeakPolarHBondContact O-CG 3.35Å; A401-Q405 PolarHBondContact O-N 3.02Å; G403-Q405 VanDerWaalsContact C-N 3.33Å; G403-Q405 PolarHBondContact O-N 3.48Å; Q405-A408 WeakPolarHBondContact O-CB 3.47Å; Q405-A408 PolarHBondContact O-N 3.03Å; Q405-E409 PolarHBondContact O-N 3.41Å
406H70Confident75.4Confident67 Ų6794.4 Ų94.431%0.3147%0.473SS..Hα-helixtrans-72.2-33.2177.9-73.1-62.9000114.2E108 L402 G403 K404 A408 E409 K410E108-H406 VanDerWaalsContact CA-CD2 3.49Å; E108-H406 WeakPolarHBondContact CA-CD2 3.16Å; E108-H406 HydrophobicContact CB-CB 3.66Å; E108-H406 WeakPolarHBondContact CB-CD2 3.34Å; E108-H406 VanDerWaalsContact CB-CG 3.45Å; L402-H406 PolarHBondContact O-CD2 3.3Å; G403-H406 PolarHBondContact O-N 3.11Å; K404-H406 VanDerWaalsContact C-N 3.34Å; H406-A408 VanDerWaalsContact C-N 3.27Å; H406-A408 PolarHBondContact O-N 2.98Å; H406-E409 IonicContact CE1-OE2 3.86Å; H406-E409 IonicContact ND1-OE2 3.84Å; H406-E409 PolarHBondContact ND1-OE2 3.14Å; H406-E409 PolarHBondContact O-N 2.98Å; H406-K410 PolarHBondContact O-N 2.9Å
407E68.8Low75Confident92 Ų9291.8 Ų91.843%0.4345%0.453SS..Hα-helixtrans-62.1-35.9172.9-77.2-175.9-178.900112.1G403 K404 K410 K411G403-E407 PolarHBondContact O-N 3.1Å; K404-E407 PolarHBondContact O-N 3.02Å; E407-K410 PolarHBondContact O-N 3.04Å; E407-K411 WeakPolarHBondContact O-CG 3.31Å; E407-K411 PolarHBondContact O-N 2.86Å
408A62.7Low74.7Confident60 Ų6095.4 Ų95.450%0.49646%0.463SS..Hα-helixtrans-64.9-44.2176.600000111.6K404 Q405 H406 K410 K411K404-A408 PolarHBondContact O-N 3.36Å; Q405-A408 WeakPolarHBondContact O-CB 3.47Å; Q405-A408 PolarHBondContact O-N 3.03Å; H406-A408 VanDerWaalsContact C-N 3.27Å; H406-A408 PolarHBondContact O-N 2.98Å; A408-K410 PolarHBondContact O-N 3.14Å; A408-K411 PolarHBondContact O-N 2.84Å
409E60.4Low74.2Confident121 Ų12189.9 Ų89.957%0.56544%0.44SS*.Hα-helixtrans-62.8-41176.2-66172.7165.900112.2Q405 H406 K411 E412Q405-E409 PolarHBondContact O-N 3.41Å; H406-E409 IonicContact CE1-OE2 3.86Å; H406-E409 IonicContact ND1-OE2 3.84Å; H406-E409 PolarHBondContact ND1-OE2 3.14Å; H406-E409 PolarHBondContact O-N 2.98Å; E409-K411 VanDerWaalsContact C-N 3.33Å; E409-K411 PolarHBondContact O-N 3.41Å; E409-E412 PolarHBondContact O-N 3.32Å
410K58.4Low72.7Confident123 Ų12393.6 Ų93.654%0.53547%0.468SS..Hα-helixtrans-64.3-35.5177.4-87.1-174177.61780113H406 E407 A408 E412 K413H406-K410 PolarHBondContact O-N 2.9Å; E407-K410 PolarHBondContact O-N 3.04Å; A408-K410 PolarHBondContact O-N 3.14Å; K410-E412 PolarHBondContact O-N 3.43Å; K410-K413 WeakPolarHBondContact O-CB 3.36Å; K410-K413 PolarHBondContact O-N 3.26Å; K410-K413 VanDerWaalsContact O-N 3.12Å
411K54.2Low70.8Confident180 Ų18097.5 Ų97.578%0.78348%0.483SS*.Hα-helixtrans-65.4-18.1179-78.8-179.5-179.4177.60113.3E407 A408 E409 K413E407-K411 WeakPolarHBondContact O-CG 3.31Å; E407-K411 PolarHBondContact O-N 2.86Å; A408-K411 PolarHBondContact O-N 2.84Å; E409-K411 VanDerWaalsContact C-N 3.33Å; E409-K411 PolarHBondContact O-N 3.41Å; K411-K413 VanDerWaalsContact C-N 3.3Å
412E53.7Low68Low169 Ų169103.7 Ų103.779%0.7950%0.499SS*.THydrogen-bonded Turntrans-76.7-13.5174.4-65.3-168161.100113.6E409 K410 K414E409-E412 PolarHBondContact O-N 3.32Å; K410-E412 PolarHBondContact O-N 3.43Å; E412-K414 PolarHBondContact O-N 2.97Å
413K59.5Low65.3Low145 Ų145110.1 Ų110.163%0.6352%0.524SS*.SBendtrans-66.1126.1177.7-72.1-168.3175-168.30111K410 K411 T415K410-K413 WeakPolarHBondContact O-CB 3.36Å; K410-K413 PolarHBondContact O-N 3.26Å; K410-K413 VanDerWaalsContact O-N 3.12Å; K411-K413 VanDerWaalsContact C-N 3.3Å; K413-T415 PolarHBondContact O-N 3.06Å
414K65.7Low62.7Low122 Ų122116 Ų11653%0.5356%0.559SS.*  trans-68125.7-177.9-65.4-175.4-179-1750110.7E412 F417 V456E412-K414 PolarHBondContact O-N 2.97Å; K414-F417 HydrophobicContact CD-CD2 4.41Å; K414-V456 HydrophobicContact CB-CG1 4.43Å; K414-V456 WeakPolarHBondContact O-CG1 3.38Å
415T74.4Confident60Low103 Ų103115.5 Ų115.563%0.63257%0.567SS**SBendtrans-82.3-18.9173.653.70000113.1K413 V475K413-T415 PolarHBondContact O-N 3.06Å; T415-V475 WeakPolarHBondContact O-CB 3.47Å; T415-V475 WeakPolarHBondContact O-CG2 3.49Å; T415-V475 PolarHBondContact O-N 3.04Å
416E79.9Confident57.8Low80 Ų80118.3 Ų118.337%0.37458%0.577SS.*EExtended strand (participates in β ladder)trans-142147.6178.2-64.1-170.7175.800110.2G473 K474E416-G473 WeakPolarHBondContact CA-O 3.4Å; E416-K474 HydrophobicContact CG-CB 4.24Å; E416-K474 HydrophobicContact CG-CD 4.32Å; E416-K474 HydrophobicContact CG-CG 4.01Å; E416-K474 VanDerWaalsContact OE1-CD 3.26Å; E416-K474 WeakPolarHBondContact OE1-CD 3.37Å; E416-K474 WeakPolarHBondContact OE1-CE 3.37Å; E416-K474 IonicContact OE1-NZ 2.63Å; E416-K474 PolarHBondContact OE1-NZ 3Å
417F84.8Confident55.9Low20 Ų20124.1 Ų124.19%0.08860%0.601CS.*EExtended strand (participates in β ladder)trans-129.6108.2170.1-169.3-87.2000109.5K414 T419 V456 G459 N460 I471 G473K414-F417 HydrophobicContact CD-CD2 4.41Å; F417-T419 HydrophobicContact CE1-CG2 4.08Å; F417-V456 HydrophobicContact CB-CB 4.42Å; F417-V456 HydrophobicContact CB-CG1 4.19Å; F417-V456 HydrophobicContact CB-CG2 4.34Å; F417-G459 VanDerWaalsContact CE1-C 3.43Å; F417-G459 WeakPolarHBondContact CE1-O 3.39Å; F417-N460 HydrophobicContact CE2-CB 4.49Å; F417-N460 WeakPolarHBondContact CE2-OD1 3.24Å; F417-I471 HydrophobicContact CD1-CB 3.96Å; F417-I471 HydrophobicContact CD1-CG2 3.76Å; F417-I471 HydrophobicContact CE1-CB 4.12Å; F417-I471 HydrophobicContact CE1-CD1 4.12Å; F417-I471 HydrophobicContact CE1-CG2 4.32Å; F417-G473 PolarHBondContact N-O 3.32Å; F417-G473 PolarHBondContact O-N 2.81Å
418K84.4Confident54.3Low93 Ų93127.4 Ų127.440%0.40462%0.622SS.*EExtended strand (participates in β ladder)trans-122126.2174-65.5-162.8-177.5-140.50111.4T420 I471 D472K418-T420 PolarHBondContact O-N 3Å; K418-I471 VanDerWaalsContact CA-O 3.26Å; K418-I471 WeakPolarHBondContact CA-O 3.48Å; K418-D472 WeakPolarHBondContact CE-OD1 3.29Å; K418-D472 IonicContact NZ-OD1 3.99Å; K418-D472 PolarHBondContact NZ-OD1 3.26Å; K418-D472 IonicContact NZ-OD2 2.99Å; K418-D472 PolarHBondContact NZ-OD2 3.4Å
419T80Confident52.9Low29 Ų29133.7 Ų133.718%0.17864%0.638CS.*  trans-71.5120.7172.150.30000110.2F417 K421 Q470 I471F417-T419 HydrophobicContact CE1-CG2 4.08Å; T419-K421 PolarHBondContact O-N 2.87Å; T419-Q470 VanDerWaalsContact OG1-CA 3.31Å; T419-Q470 WeakPolarHBondContact OG1-CA 3.37Å; T419-Q470 PolarHBondContact OG1-NE2 3.28Å; T419-I471 HydrophobicContact CG2-CB 3.97Å; T419-I471 HydrophobicContact CG2-CG1 3.99Å; T419-I471 PolarHBondContact N-O 2.88Å; T419-I471 VanDerWaalsContact N-O 3.11Å; T419-I471 PolarHBondContact OG1-N 3.4Å
420T58.7Low51.7Low143 Ų143135.5 Ų135.588%0.87765%0.646SS**  trans-85.599177.13.80000110.3K418 K422K418-T420 PolarHBondContact O-N 3Å; T420-K422 PolarHBondContact O-N 3.31Å
421K50.9Low50.5Low116 Ų116136.9 Ų136.950%0.50466%0.655SS.*  trans-77.399.8168-98.4-179.1-176.1158.70110.5T419 K423 S446 Q470T419-K421 PolarHBondContact O-N 2.87Å; K421-K423 PolarHBondContact O-N 2.73Å; K421-S446 VanDerWaalsContact NZ-CB 3.26Å; K421-S446 PolarHBondContact NZ-OG 3.22Å; K421-Q470 VanDerWaalsContact CD-CD 3.47Å; K421-Q470 HydrophobicContact CD-CG 4.34Å; K421-Q470 VanDerWaalsContact CD-NE2 3.3Å
422K30.2Very low49.4Very low194 Ų194134.4 Ų134.484%0.84365%0.65SS**  trans-67.7120.2152.2-84.7-176.6176.5178.20107.6T420 V424T420-K422 PolarHBondContact O-N 3.31Å; K422-V424 PolarHBondContact O-N 2.88Å
423K28.7Very low48.7Very low197 Ų197134.6 Ų134.686%0.85765%0.649SS**  trans-53.3104.1164.7-85.6179.3174.11760108.4K421 V425K421-K423 PolarHBondContact O-N 2.73Å; K423-V425 VanDerWaalsContact C-N 3.34Å; K423-V425 PolarHBondContact O-N 2.86Å; K423-V425 VanDerWaalsContact O-N 3.17Å
424V29Very low47.4Very low126 Ų126136.7 Ų136.776%0.76466%0.66SS**  trans-80.791.6163.3-178.90000106.6K422 K426K422-V424 PolarHBondContact O-N 2.88Å; V424-K426 HydrophobicContact CG1-CG 4.35Å
425V26.8Very low46Very low120 Ų120137.8 Ų137.873%0.72768%0.678SS**  trans-85.8103158.8178.40000105.7K423K423-V425 VanDerWaalsContact C-N 3.34Å; K423-V425 PolarHBondContact O-N 2.86Å; K423-V425 VanDerWaalsContact O-N 3.17Å
426K33.4Very low43.9Very low184 Ų184138 Ų13880%0.869%0.69SS**  trans-114107.8157.5-87.3-169.5173.1-172.20107.8V424V424-K426 HydrophobicContact CG1-CG 4.35Å
427K28.7Very low41.7Very low189 Ų189140.5 Ų140.582%0.82271%0.706SS**  trans-58.5125.2150.7-79.9173.4170.9176.10106
428D35.5Very low39.1Very low161 Ų161145.1 Ų145.186%0.86174%0.741SS**  trans-155.8138134.4-91.4-32000109.7
429K32.9Very low36.9Very low193 Ų193150.7 Ų150.784%0.83977%0.765SS**  trans-80.7162.1-179.3-76.9174.3166.8-178.70109.9
430Q35.3Very low34.8Very low158 Ų158154.3 Ų154.374%0.73878%0.78SS**  trans94.2111.6154.4-78.2177.9-60.700119.8
431E33.3Very low34Very low153 Ų153152.8 Ų152.872%0.71577%0.766SS**  78.5109.8125.7-73.6165.9-150.800120.4
432D32.6Very low33.8Very low127 Ų127151.2 Ų151.268%0.67976%0.763SS**  96.8120.4126.1-92.513000122.3
433K37.1Very low34.5Very low174 Ų174149 Ų14976%0.75775%0.753SS**  trans84.397.9140.2-69.2172.7-176.9167.50120.3
434Q32.7Very low35.9Very low188 Ų188149 Ų14988%0.87975%0.753SS**  trans18.4116.5132.5-75.6173.9-18.900118.7
435T35.9Very low38Very low146 Ų146144.5 Ų144.590%0.89673%0.727SS**  trans-154.2129133.1-0.70000109.4
436A32.3Very low41Very low107 Ų107139.5 Ų139.588%0.88470%0.697SS**  trans-74.8132.9-170.500000112.2
437N32.6Very low43.9Very low133 Ų133131 Ų13171%0.71166%0.661SS**  trans-129.1106.9175.7-121.2-9.2000110.1K439N437-K439 PolarHBondContact O-N 3.07Å; N437-K439 VanDerWaalsContact O-N 3.14Å
438S30.4Very low47.2Very low117 Ų117122 Ų12282%0.81862%0.622SS**THydrogen-bonded Turntrans-81.581.6171.555.90000109.8
439K38.9Very low50.2Low209 Ų209114.4 Ų114.491%0.90958%0.581SS**THydrogen-bonded Turntrans-169.415.5163.5-107.7168.4-168.8-176.30114.7N437N437-K439 PolarHBondContact O-N 3.07Å; N437-K439 VanDerWaalsContact O-N 3.14Å
440E35.1Very low53.3Low106 Ų106105.2 Ų105.250%0.49554%0.541SS..  trans-115.118.5-161.1-106.4-165151.600118.6I442 K443E440-I442 PolarHBondContact O-N 2.82Å; E440-K443 HydrophobicContact CG-CD 4.49Å; E440-K443 IonicContact OE1-NZ 2.75Å; E440-K443 PolarHBondContact OE1-NZ 2.76Å
441D41.3Very low56.2Low111 Ų11197.7 Ų97.759%0.59451%0.506SS*.THydrogen-bonded Turntrans-83.83.5-169.4-83.6-48.7000118K603D441-K603 IonicContact OD2-NZ 2.6Å; D441-K603 PolarHBondContact OD2-NZ 2.86Å
442I46.3Very low59Low83 Ų8390.4 Ų90.443%0.42647%0.472SS..THydrogen-bonded Turntrans-83.7-13.2172.9-58.5175.2000111.8E440 K444 E596E440-I442 PolarHBondContact O-N 2.82Å; I442-K444 PolarHBondContact O-N 3.05Å; I442-E596 HydrophobicContact CD1-CG 3.68Å; I442-E596 WeakPolarHBondContact CD1-OE1 3.38Å
443K46.6Very low61.8Low147 Ų14784.4 Ų84.464%0.63944%0.44SS*.THydrogen-bonded Turntrans-82.2-0.3-169.7-82.8-177.5-178.5172.10117.2E440E440-K443 HydrophobicContact CG-CD 4.49Å; E440-K443 IonicContact OE1-NZ 2.75Å; E440-K443 PolarHBondContact OE1-NZ 2.76Å
444K56.7Low64.5Low197 Ų19776.3 Ų76.386%0.85741%0.405SS*.THydrogen-bonded Turntrans-98.9-11.1-171.1-84.7-178.6177.6173.80117.8I442I442-K444 PolarHBondContact O-N 3.05Å
445S74.5Confident67.6Low31 Ų3167.4 Ų67.422%0.21736%0.363CS..SBendtrans-140.2131.5166.255.30000110.7G497S445-G497 PolarHBondContact OG-O 3.01Å
446S88.6Confident70.3Confident16 Ų1661 Ų6111%0.11232%0.324CS..PPolyproline II helixtrans-69.2123174.4162.30000108.2K421 N468 Y493K421-S446 VanDerWaalsContact NZ-CB 3.26Å; K421-S446 PolarHBondContact NZ-OG 3.22Å; S446-N468 WeakPolarHBondContact CB-O 3.45Å; S446-N468 PolarHBondContact OG-O 3.08Å; S446-Y493 WeakPolarHBondContact O-CE1 3.23Å; S446-Y493 PolarHBondContact OG-OH 3.09Å
447P95.1Very high73Confident6 Ų657.9 Ų57.94%0.03929%0.293CS..PPolyproline II helixtrans-73.3148.5176.129.9-34.8000111.1L449 I466 A469 Q470 K499 M595P447-L449 HydrophobicContact CB-CD1 4.4Å; P447-L449 HydrophobicContact CG-CD1 4.33Å; P447-I466 HydrophobicContact CG-CG2 4.06Å; P447-A469 HydrophobicContact CG-CB 4.08Å; P447-Q470 PolarHBondContact O-N 3.27Å; P447-K499 WeakPolarHBondContact CA-O 3.37Å; P447-K499 HydrophobicContact CB-CB 4.21Å; P447-M595 HydrophobicContact CB-CE 3.66Å; P447-M595 HydrophobicContact CG-CE 4.01Å
448L97.5Very high76Confident0 Ų051.6 Ų51.60%026%0.259CS..EExtended strand (participates in β ladder)trans-96.5137.4168.2171.267.9000108.9Q470 Y490 Y493 K499 V500 V501 F522L448-Q470 CarbonylContact C-O 3.51Å; L448-Q470 WeakPolarHBondContact CA-O 3.33Å; L448-Q470 HydrophobicContact CD1-CB 4.21Å; L448-Y490 HydrophobicContact CD1-CD1 3.88Å; L448-Y490 HydrophobicContact CD1-CD2 4.3Å; L448-Y490 HydrophobicContact CD1-CE1 3.7Å; L448-Y490 HydrophobicContact CD1-CE2 4.14Å; L448-Y490 HydrophobicContact CD1-CG 4.2Å; L448-Y490 HydrophobicContact CD2-CD1 3.92Å; L448-Y490 HydrophobicContact CD2-CD2 3.87Å; L448-Y490 HydrophobicContact CD2-CE2 4.49Å; L448-Y490 HydrophobicContact CD2-CG 3.55Å; L448-Y493 HydrophobicContact CB-CD1 3.35Å; L448-Y493 HydrophobicContact CB-CD2 4.38Å; L448-Y493 HydrophobicContact CB-CE1 3.43Å; L448-Y493 VanDerWaalsContact CB-CE1 3.43Å; L448-Y493 HydrophobicContact CB-CE2 4.49Å; L448-Y493 HydrophobicContact CB-CG 3.85Å; L448-Y493 HydrophobicContact CD2-CD1 4.4Å; L448-Y493 HydrophobicContact CD2-CD2 4.38Å; L448-Y493 HydrophobicContact CD2-CG 4.07Å; L448-Y493 HydrophobicContact CG-CD1 4.49Å; L448-K499 PolarHBondContact N-O 3.27Å; L448-V500 HydrophobicContact CB-CG1 4.19Å; L448-V500 HydrophobicContact CD2-CG1 4.39Å; L448-V500 CarbonylContact O-C 3.09Å; L448-V500 VanDerWaalsContact O-CA 3.25Å; L448-V500 WeakPolarHBondContact O-CA 3.27Å; L448-V501 PolarHBondContact O-N 3.13Å; L448-F522 HydrophobicContact CD2-CE1 3.98Å
449L98.1Very high78.9Confident0 Ų046 Ų460%022%0.22CC..EExtended strand (participates in β ladder)trans-124.6114.9171.3-64.591.8000107.6P447 M455 F462 A469 Q470 I471 D472 V501P447-L449 HydrophobicContact CB-CD1 4.4Å; P447-L449 HydrophobicContact CG-CD1 4.33Å; L449-M455 HydrophobicContact CB-CE 3.8Å; L449-M455 HydrophobicContact CB-SD 3.55Å; L449-M455 VanDerWaalsContact CB-SD 3.55Å; L449-M455 HydrophobicContact CD2-CE 4.22Å; L449-M455 HydrophobicContact CD2-SD 4.05Å; L449-M455 HydrophobicContact CG-SD 4.47Å; L449-F462 HydrophobicContact CD1-CD1 3.93Å; L449-F462 HydrophobicContact CD1-CE1 3.55Å; L449-F462 HydrophobicContact CD1-CZ 4.12Å; L449-F462 HydrophobicContact CD2-CD1 3.79Å; L449-F462 HydrophobicContact CD2-CD2 3.74Å; L449-F462 HydrophobicContact CD2-CE1 3.65Å; L449-F462 HydrophobicContact CD2-CE2 3.62Å; L449-F462 HydrophobicContact CD2-CG 3.85Å; L449-F462 HydrophobicContact CD2-CZ 3.58Å; L449-F462 HydrophobicContact CG-CE1 4.24Å; L449-F462 HydrophobicContact CG-CZ 4.41Å; L449-A469 HydrophobicContact CD1-CB 3.84Å; L449-Q470 PolarHBondContact N-O 2.97Å; L449-I471 HydrophobicContact CB-CG1 4.34Å; L449-I471 HydrophobicContact CB-CG2 4.48Å; L449-I471 HydrophobicContact CD1-CG1 4.16Å; L449-I471 CarbonylContact O-C 3.49Å; L449-I471 WeakPolarHBondContact O-CA 3.28Å; L449-D472 PolarHBondContact O-N 3.21Å; L449-V501 HydrophobicContact CB-CB 4.26Å; L449-V501 HydrophobicContact CD2-CB 4.01Å; L449-V501 HydrophobicContact CD2-CG1 4.35Å; L449-V501 HydrophobicContact CD2-CG2 3.95Å; L449-V501 HydrophobicContact CG-CB 3.78Å; L449-V501 HydrophobicContact CG-CG2 3.78Å
450I97.8Very high81.3Confident0 Ų039.8 Ų39.80%020%0.197CC..EExtended strand (participates in β ladder)trans-116.6133.9176.4-169.4168.2000108.8D472 A482 I485 V486 V501 V502 E503 F522I450-D472 WeakPolarHBondContact CA-O 3.36Å; I450-A482 HydrophobicContact CD1-CB 4.03Å; I450-I485 HydrophobicContact CD1-CG2 4.34Å; I450-V486 HydrophobicContact CD1-CG2 3.84Å; I450-V501 PolarHBondContact N-O 3.05Å; I450-V502 HydrophobicContact CG2-CG2 4.26Å; I450-E503 PolarHBondContact O-N 3.26Å; I450-F522 HydrophobicContact CG2-CZ 4Å
451G96.5Very high84.1Confident0 Ų035.7 Ų35.70%018%0.179CC..EExtended strand (participates in β ladder)trans-173.8-166.2178.400000115.5D472 K474 R477 E503G451-D472 PolarHBondContact N-O 3.1Å; G451-D472 VanDerWaalsContact N-O 3.11Å; G451-K474 PolarHBondContact O-N 3.36Å; G451-R477 WeakPolarHBondContact O-CD 3.37Å; G451-R477 PolarHBondContact O-NH1 2.68Å; G451-E503 CarbonylContact C-O 3.43Å; G451-E503 WeakPolarHBondContact CA-O 3.37Å
452D93.4Very high86.7Confident0 Ų030.4 Ų30.40%015%0.151CC..SBendtrans-97.7-138.1-172.773.427.4000112.3V454 V456 K474 R477 E503 L504 G505 T506 N507D452-V454 PolarHBondContact OD1-N 3.26Å; D452-V454 VanDerWaalsContact OD1-N 3.12Å; D452-V456 PolarHBondContact O-N 3.18Å; D452-K474 CarbonylContact C-O 3.41Å; D452-K474 VanDerWaalsContact CA-O 3.29Å; D452-K474 WeakPolarHBondContact CA-O 3.36Å; D452-K474 PolarHBondContact O-N 3.07Å; D452-R477 HydrophobicContact CB-CB 4.27Å; D452-E503 PolarHBondContact N-O 2.77Å; D452-L504 HydrophobicContact CB-CD2 4.18Å; D452-G505 PolarHBondContact OD2-N 2.72Å; D452-T506 WeakPolarHBondContact OD2-CB 3.26Å; D452-T506 PolarHBondContact OD2-N 2.95Å; D452-N507 HydrophobicContact CB-CB 4.2Å; D452-N507 WeakPolarHBondContact CB-ND2 3.47Å; D452-N507 PolarHBondContact OD2-N 2.93Å
453S91Very high88.8Confident1 Ų128.3 Ų28.31%0.00714%0.142CC..Hα-helixtrans-69.6-33.5177.744.20000112M455 V456 D457 N507S453-M455 VanDerWaalsContact C-N 3.28Å; S453-M455 PolarHBondContact O-N 3.45Å; S453-V456 WeakPolarHBondContact O-CA 3.35Å; S453-V456 VanDerWaalsContact O-CB 3.29Å; S453-V456 WeakPolarHBondContact O-CB 3.45Å; S453-V456 PolarHBondContact O-N 3.39Å; S453-D457 PolarHBondContact O-N 3.29Å; S453-N507 WeakPolarHBondContact CB-ND2 3.2Å; S453-N507 PolarHBondContact N-ND2 2.96Å; S453-N507 VanDerWaalsContact N-ND2 3.12Å; S453-N507 PolarHBondContact OG-ND2 3.35Å; S453-N507 PolarHBondContact OG-OD1 2.83Å
454V94.2Very high91Very high5 Ų529 Ų293%0.0315%0.145CC..Hα-helixtrans-67.4-34.7179.2167.60000110.3D452 V456 D457 I458 E503 T506 L579 L587D452-V454 PolarHBondContact OD1-N 3.26Å; D452-V454 VanDerWaalsContact OD1-N 3.12Å; V454-V456 VanDerWaalsContact C-N 3.32Å; V454-V456 PolarHBondContact O-N 3.28Å; V454-D457 PolarHBondContact O-N 3.17Å; V454-I458 PolarHBondContact O-N 2.98Å; V454-I458 VanDerWaalsContact O-N 3.08Å; V454-E503 VanDerWaalsContact CB-CD 3.44Å; V454-E503 HydrophobicContact CB-CG 4.4Å; V454-E503 WeakPolarHBondContact CB-OE1 3.48Å; V454-E503 VanDerWaalsContact CB-OE2 3.28Å; V454-E503 WeakPolarHBondContact CB-OE2 3.48Å; V454-E503 HydrophobicContact CG1-CG 4.04Å; V454-T506 HydrophobicContact CG2-CG2 3.87Å; V454-L579 HydrophobicContact CG1-CD1 3.82Å; V454-L579 HydrophobicContact CG1-CG 4.35Å; V454-L587 HydrophobicContact CG1-CD2 3.49Å; V454-L587 VanDerWaalsContact CG1-CD2 3.49Å
455M96.8Very high92.7Very high0 Ų024 Ų240%012%0.123CC..Hα-helixtrans-61.6-35.9168.3-171.357.66100113.5L449 S453 I458 G459 I471 V501 E503L449-M455 HydrophobicContact CB-CE 3.8Å; L449-M455 HydrophobicContact CB-SD 3.55Å; L449-M455 VanDerWaalsContact CB-SD 3.55Å; L449-M455 HydrophobicContact CD2-CE 4.22Å; L449-M455 HydrophobicContact CD2-SD 4.05Å; L449-M455 HydrophobicContact CG-SD 4.47Å; S453-M455 VanDerWaalsContact C-N 3.28Å; S453-M455 PolarHBondContact O-N 3.45Å; M455-I458 HydrophobicContact CE-CD1 4.26Å; M455-I458 HydrophobicContact SD-CD1 3.99Å; M455-I458 HydrophobicContact SD-CG1 4.06Å; M455-G459 PolarHBondContact O-N 3.38Å; M455-G459 VanDerWaalsContact O-N 3.09Å; M455-I471 HydrophobicContact CG-CG2 3.86Å; M455-I471 HydrophobicContact SD-CG2 3.79Å; M455-V501 HydrophobicContact CE-CG1 4.49Å; M455-E503 HydrophobicContact CE-CB 3.51Å; M455-E503 HydrophobicContact CE-CG 4.4Å; M455-E503 PolarHBondContact N-OE2 3.27Å
456V92Very high93.6Very high12 Ų1223.6 Ų23.67%0.07312%0.118CC..Hα-helixtrans-64.7-44.5174175.20000110.5K414 F417 D452 S453 V454 I458 G459 G473 V475K414-V456 HydrophobicContact CB-CG1 4.43Å; K414-V456 WeakPolarHBondContact O-CG1 3.38Å; F417-V456 HydrophobicContact CB-CB 4.42Å; F417-V456 HydrophobicContact CB-CG1 4.19Å; F417-V456 HydrophobicContact CB-CG2 4.34Å; D452-V456 PolarHBondContact O-N 3.18Å; S453-V456 WeakPolarHBondContact O-CA 3.35Å; S453-V456 VanDerWaalsContact O-CB 3.29Å; S453-V456 WeakPolarHBondContact O-CB 3.45Å; S453-V456 PolarHBondContact O-N 3.39Å; V454-V456 VanDerWaalsContact C-N 3.32Å; V454-V456 PolarHBondContact O-N 3.28Å; V456-I458 PolarHBondContact O-N 3.45Å; V456-G459 PolarHBondContact O-N 3.28Å; V456-G473 WeakPolarHBondContact CG2-O 3.33Å; V456-V475 HydrophobicContact CG2-CG2 4.25Å
457D90.4Very high93.7Very high42 Ų4227.9 Ų27.923%0.22515%0.146CC..Hα-helixtrans-60.6-45.5179.9-69.1-17000111.8S453 V454 H578 L579S453-D457 PolarHBondContact O-N 3.29Å; V454-D457 PolarHBondContact O-N 3.17Å; D457-H578 IonicContact OD1-CD2 3.25Å; D457-H578 WeakPolarHBondContact OD2-CA 3.47Å; D457-H578 IonicContact OD2-CD2 2.71Å; D457-L579 HydrophobicContact CB-CB 4.21Å; D457-L579 PolarHBondContact OD2-N 2.97Å
458I95.4Very high93.6Very high0 Ų030.1 Ų30.10%016%0.157CC..Hα-helixtrans-79.6-15.4-179.372.2174.9000113.8V454 M455 V456 N460 V461 F462 L579 L587 I591V454-I458 PolarHBondContact O-N 2.98Å; V454-I458 VanDerWaalsContact O-N 3.08Å; M455-I458 HydrophobicContact CE-CD1 4.26Å; M455-I458 HydrophobicContact SD-CD1 3.99Å; M455-I458 HydrophobicContact SD-CG1 4.06Å; V456-I458 PolarHBondContact O-N 3.45Å; I458-N460 PolarHBondContact O-N 3.12Å; I458-V461 PolarHBondContact O-N 3.15Å; I458-F462 HydrophobicContact CD1-CD2 4.42Å; I458-F462 WeakPolarHBondContact O-CB 3.32Å; I458-F462 PolarHBondContact O-N 2.99Å; I458-L579 HydrophobicContact CG2-CD1 3.96Å; I458-L587 HydrophobicContact CD1-CD2 4.36Å; I458-L587 HydrophobicContact CD1-CG 4.49Å; I458-L587 HydrophobicContact CG2-CB 4.32Å; I458-L587 HydrophobicContact CG2-CD2 3.89Å; I458-L587 HydrophobicContact CG2-CG 4.28Å; I458-I591 HydrophobicContact CD1-CD1 3.75Å
459G91.8Very high93.4Very high0 Ų030.2 Ų30.20%016%0.158CC..Hα-helixtrans-53.4-46.1-166.600000114.8F417 M455 V456 T463 I471F417-G459 VanDerWaalsContact CE1-C 3.43Å; F417-G459 WeakPolarHBondContact CE1-O 3.39Å; M455-G459 PolarHBondContact O-N 3.38Å; M455-G459 VanDerWaalsContact O-N 3.09Å; V456-G459 PolarHBondContact O-N 3.28Å; G459-T463 WeakPolarHBondContact O-CB 3.08Å; G459-T463 PolarHBondContact O-N 2.99Å; G459-T463 PolarHBondContact O-OG1 3.04Å; G459-I471 VanDerWaalsContact O-CD1 3.22Å; G459-I471 WeakPolarHBondContact O-CD1 3.49Å
460N89.4Confident93.3Very high79 Ų7931.6 Ų31.642%0.42216%0.164SC..Hα-helixtrans-66.1-44.6175.9-77.2-47.5000112.5F417 I458 K464F417-N460 HydrophobicContact CE2-CB 4.49Å; F417-N460 WeakPolarHBondContact CE2-OD1 3.24Å; I458-N460 PolarHBondContact O-N 3.12Å; N460-K464 WeakPolarHBondContact O-CG 3.29Å; N460-K464 PolarHBondContact O-N 3.12Å; N460-K464 VanDerWaalsContact O-N 3.11Å
461V92.7Very high93.2Very high20 Ų2031.7 Ų31.712%0.12117%0.165CC..Hα-helixtrans-66.4-43.3-177.7-178.30000110.1I458 K464 K465 Y581 K585 T588I458-V461 PolarHBondContact O-N 3.15Å; V461-K464 PolarHBondContact O-N 3.29Å; V461-K465 PolarHBondContact O-N 2.92Å; V461-Y581 HydrophobicContact CG2-CD2 4.23Å; V461-Y581 HydrophobicContact CG2-CE2 3.83Å; V461-K585 HydrophobicContact CG1-CB 4.47Å; V461-T588 HydrophobicContact CG1-CG2 4.3Å
462F95.1Very high93.2Very high0 Ų031.7 Ų31.70%017%0.165CC..Hα-helixtrans-65.2-45.6178.7-159.3-77.4000111.7L449 I458 K464 K465 I466 A469 I471 T588 I591 V592 M595L449-F462 HydrophobicContact CD1-CD1 3.93Å; L449-F462 HydrophobicContact CD1-CE1 3.55Å; L449-F462 HydrophobicContact CD1-CZ 4.12Å; L449-F462 HydrophobicContact CD2-CD1 3.79Å; L449-F462 HydrophobicContact CD2-CD2 3.74Å; L449-F462 HydrophobicContact CD2-CE1 3.65Å; L449-F462 HydrophobicContact CD2-CE2 3.62Å; L449-F462 HydrophobicContact CD2-CG 3.85Å; L449-F462 HydrophobicContact CD2-CZ 3.58Å; L449-F462 HydrophobicContact CG-CE1 4.24Å; L449-F462 HydrophobicContact CG-CZ 4.41Å; I458-F462 HydrophobicContact CD1-CD2 4.42Å; I458-F462 WeakPolarHBondContact O-CB 3.32Å; I458-F462 PolarHBondContact O-N 2.99Å; F462-K464 VanDerWaalsContact C-N 3.31Å; F462-K464 PolarHBondContact O-N 3.06Å; F462-K465 PolarHBondContact O-N 3.44Å; F462-K465 VanDerWaalsContact O-N 3.08Å; F462-I466 HydrophobicContact CD1-CB 4.28Å; F462-I466 HydrophobicContact CD1-CG1 4.49Å; F462-I466 HydrophobicContact CE1-CB 3.9Å; F462-I466 HydrophobicContact CE1-CG1 3.89Å; F462-I466 HydrophobicContact CE1-CG2 4.47Å; F462-I466 HydrophobicContact CZ-CG1 4.25Å; F462-I466 PolarHBondContact O-N 2.98Å; F462-A469 HydrophobicContact CD1-CB 3.91Å; F462-A469 HydrophobicContact CE1-CB 3.93Å; F462-I471 HydrophobicContact CB-CD1 3.87Å; F462-I471 HydrophobicContact CD1-CD1 4.16Å; F462-I471 HydrophobicContact CG-CD1 4.32Å; F462-T588 HydrophobicContact CB-CG2 4.27Å; F462-T588 HydrophobicContact CD2-CG2 3.73Å; F462-T588 HydrophobicContact CE2-CG2 4.35Å; F462-T588 HydrophobicContact CG-CG2 4.28Å; F462-I591 HydrophobicContact CE2-CB 4Å; F462-I591 HydrophobicContact CE2-CD1 4.47Å; F462-I591 HydrophobicContact CE2-CG2 3.6Å; F462-I591 HydrophobicContact CZ-CG2 4.05Å; F462-V592 HydrophobicContact CE2-CG2 3.96Å; F462-V592 HydrophobicContact CZ-CG2 4.01Å; F462-M595 HydrophobicContact CZ-SD 4.28Å
463T91.9Very high93.3Very high38 Ų3831.7 Ų31.723%0.23317%0.165CC..Hα-helixtrans-66.1-32.7179.2-58.70000111.8G459 K465 I466 P467 I471G459-T463 WeakPolarHBondContact O-CB 3.08Å; G459-T463 PolarHBondContact O-N 2.99Å; G459-T463 PolarHBondContact O-OG1 3.04Å; T463-K465 VanDerWaalsContact C-N 3.3Å; T463-K465 PolarHBondContact O-N 3.39Å; T463-I466 CarbonylContact O-C 3.5Å; T463-P467 WeakPolarHBondContact O-CA 3.42Å; T463-I471 VanDerWaalsContact OG1-CD1 3.23Å; T463-I471 WeakPolarHBondContact OG1-CD1 3.29Å
464K91.7Very high93.2Very high163 Ų16335.7 Ų35.771%0.70918%0.182SC*.Hα-helixtrans-63.3-36.5172.1-76.5178.1-178.8-178.80112.2N460 V461 F462N460-K464 WeakPolarHBondContact O-CG 3.29Å; N460-K464 PolarHBondContact O-N 3.12Å; N460-K464 VanDerWaalsContact O-N 3.11Å; V461-K464 PolarHBondContact O-N 3.29Å; F462-K464 VanDerWaalsContact C-N 3.31Å; F462-K464 PolarHBondContact O-N 3.06Å
465K92.9Very high92.7Very high92 Ų9238.4 Ų38.440%0.420%0.199SC..Hα-helixtrans-81.7-38.8-179.8-166.3170.6-176.7-172.90112.9V461 F462 T463 T588 D589 V592V461-K465 PolarHBondContact O-N 2.92Å; F462-K465 PolarHBondContact O-N 3.44Å; F462-K465 VanDerWaalsContact O-N 3.08Å; T463-K465 VanDerWaalsContact C-N 3.3Å; T463-K465 PolarHBondContact O-N 3.39Å; K465-T588 HydrophobicContact CB-CG2 4.35Å; K465-T588 HydrophobicContact CD-CG2 4.01Å; K465-D589 IonicContact NZ-OD1 2.73Å; K465-D589 PolarHBondContact NZ-OD1 3.49Å; K465-V592 HydrophobicContact CD-CG2 4.16Å
466I93.4Very high92Very high22 Ų2240.3 Ų40.311%0.11322%0.218CC..SBendtrans-124.883.5179-52.1-64.4000108.7P447 F462 T463 N468 A469 V592P447-I466 HydrophobicContact CG-CG2 4.06Å; F462-I466 HydrophobicContact CD1-CB 4.28Å; F462-I466 HydrophobicContact CD1-CG1 4.49Å; F462-I466 HydrophobicContact CE1-CB 3.9Å; F462-I466 HydrophobicContact CE1-CG1 3.89Å; F462-I466 HydrophobicContact CE1-CG2 4.47Å; F462-I466 HydrophobicContact CZ-CG1 4.25Å; F462-I466 PolarHBondContact O-N 2.98Å; T463-I466 CarbonylContact O-C 3.5Å; I466-N468 WeakPolarHBondContact CG2-OD1 3.39Å; I466-N468 PolarHBondContact O-N 3.48Å; I466-A469 HydrophobicContact CB-CB 4.28Å; I466-A469 HydrophobicContact CG2-CB 4.07Å; I466-A469 VanDerWaalsContact O-CB 3.28Å; I466-A469 WeakPolarHBondContact O-CB 3.29Å; I466-A469 PolarHBondContact O-N 3.19Å; I466-V592 HydrophobicContact CD1-CG2 4.31Å; I466-V592 HydrophobicContact CG1-CG2 4.03Å
467P91.5Very high91.9Very high106 Ų10640.2 Ų40.269%0.68822%0.216SC*.THydrogen-bonded Turntrans-60.4-22.4-171.2-27.936.5000115.7T463T463-P467 WeakPolarHBondContact O-CA 3.42Å
468N92.4Very high91.8Very high53 Ų5341 Ų4128%0.28322%0.219SC..THydrogen-bonded Turntrans-91.6-0.1178.870-22.8000113.2S446 I466S446-N468 WeakPolarHBondContact CB-O 3.45Å; S446-N468 PolarHBondContact OG-O 3.08Å; I466-N468 WeakPolarHBondContact CG2-OD1 3.39Å; I466-N468 PolarHBondContact O-N 3.48Å
469A94Very high91.8Very high1 Ų141.2 Ų41.21%0.00822%0.22CC..  trans-58.9144.9179.600000112.2P447 L449 F462 I466 I471P447-A469 HydrophobicContact CG-CB 4.08Å; L449-A469 HydrophobicContact CD1-CB 3.84Å; F462-A469 HydrophobicContact CD1-CB 3.91Å; F462-A469 HydrophobicContact CE1-CB 3.93Å; I466-A469 HydrophobicContact CB-CB 4.28Å; I466-A469 HydrophobicContact CG2-CB 4.07Å; I466-A469 VanDerWaalsContact O-CB 3.28Å; I466-A469 WeakPolarHBondContact O-CB 3.29Å; I466-A469 PolarHBondContact O-N 3.19Å; A469-I471 HydrophobicContact CB-CG1 4.3Å
470Q95.6Very high91.7Very high29 Ų2944.3 Ų44.314%0.13624%0.239CC..EExtended strand (participates in β ladder)trans-101117164.7-69-51.9-92.200109.1T419 K421 P447 L448 L449 Y493T419-Q470 VanDerWaalsContact OG1-CA 3.31Å; T419-Q470 WeakPolarHBondContact OG1-CA 3.37Å; T419-Q470 PolarHBondContact OG1-NE2 3.28Å; K421-Q470 VanDerWaalsContact CD-CD 3.47Å; K421-Q470 HydrophobicContact CD-CG 4.34Å; K421-Q470 VanDerWaalsContact CD-NE2 3.3Å; P447-Q470 PolarHBondContact O-N 3.27Å; L448-Q470 CarbonylContact C-O 3.51Å; L448-Q470 WeakPolarHBondContact CA-O 3.33Å; L448-Q470 HydrophobicContact CD1-CB 4.21Å; L449-Q470 PolarHBondContact N-O 2.97Å; Q470-Y493 WeakPolarHBondContact CG-OH 3.46Å
471I95.3Very high91.8Very high2 Ų244.6 Ų44.61%0.0124%0.24CC..EExtended strand (participates in β ladder)trans-113.2131.7-179.4-51.4-172.4000108.4F417 K418 T419 L449 M455 G459 F462 T463 A469F417-I471 HydrophobicContact CD1-CB 3.96Å; F417-I471 HydrophobicContact CD1-CG2 3.76Å; F417-I471 HydrophobicContact CE1-CB 4.12Å; F417-I471 HydrophobicContact CE1-CD1 4.12Å; F417-I471 HydrophobicContact CE1-CG2 4.32Å; K418-I471 VanDerWaalsContact CA-O 3.26Å; K418-I471 WeakPolarHBondContact CA-O 3.48Å; T419-I471 HydrophobicContact CG2-CB 3.97Å; T419-I471 HydrophobicContact CG2-CG1 3.99Å; T419-I471 PolarHBondContact N-O 2.88Å; T419-I471 VanDerWaalsContact N-O 3.11Å; T419-I471 PolarHBondContact OG1-N 3.4Å; L449-I471 HydrophobicContact CB-CG1 4.34Å; L449-I471 HydrophobicContact CB-CG2 4.48Å; L449-I471 HydrophobicContact CD1-CG1 4.16Å; L449-I471 CarbonylContact O-C 3.49Å; L449-I471 WeakPolarHBondContact O-CA 3.28Å; M455-I471 HydrophobicContact CG-CG2 3.86Å; M455-I471 HydrophobicContact SD-CG2 3.79Å; G459-I471 VanDerWaalsContact O-CD1 3.22Å; G459-I471 WeakPolarHBondContact O-CD1 3.49Å; F462-I471 HydrophobicContact CB-CD1 3.87Å; F462-I471 HydrophobicContact CD1-CD1 4.16Å; F462-I471 HydrophobicContact CG-CD1 4.32Å; T463-I471 VanDerWaalsContact OG1-CD1 3.23Å; T463-I471 WeakPolarHBondContact OG1-CD1 3.29Å; A469-I471 HydrophobicContact CB-CG1 4.3Å
472D96.3Very high91.9Very high0 Ų043.7 Ų43.70%023%0.234CC..EExtended strand (participates in β ladder)trans-131.383.4172.5-167.6-26.8000108.4K418 L449 I450 G451 R477 Y490K418-D472 WeakPolarHBondContact CE-OD1 3.29Å; K418-D472 IonicContact NZ-OD1 3.99Å; K418-D472 PolarHBondContact NZ-OD1 3.26Å; K418-D472 IonicContact NZ-OD2 2.99Å; K418-D472 PolarHBondContact NZ-OD2 3.4Å; L449-D472 PolarHBondContact O-N 3.21Å; I450-D472 WeakPolarHBondContact CA-O 3.36Å; G451-D472 PolarHBondContact N-O 3.1Å; G451-D472 VanDerWaalsContact N-O 3.11Å; D472-R477 PolarHBondContact O-NH1 3.38Å; D472-R477 IonicContact OD1-CZ 2.66Å; D472-R477 IonicContact OD1-NH1 3.13Å; D472-R477 PolarHBondContact OD1-NH1 3.16Å; D472-R477 IonicContact OD1-NH2 3.04Å; D472-R477 PolarHBondContact OD1-NH2 3.47Å; D472-Y490 HydrophobicContact CB-CE2 4.4Å; D472-Y490 WeakPolarHBondContact CB-OH 3.23Å; D472-Y490 PolarHBondContact OD2-OH 3.4Å
473G94.8Very high91.9Very high0 Ų043.8 Ų43.80%024%0.235CC..EExtended strand (participates in β ladder)trans-102.7140.4173.800000111.3E416 F417 V456E416-G473 WeakPolarHBondContact CA-O 3.4Å; F417-G473 PolarHBondContact N-O 3.32Å; F417-G473 PolarHBondContact O-N 2.81Å; V456-G473 WeakPolarHBondContact CG2-O 3.33Å
474K89.2Confident92Very high85 Ų8545.7 Ų45.737%0.3725%0.248SC..EExtended strand (participates in β ladder)trans-144.6123.7176.7173.8165.6-175.3143.90111.1E416 G451 D452 G476 R477E416-K474 HydrophobicContact CG-CB 4.24Å; E416-K474 HydrophobicContact CG-CD 4.32Å; E416-K474 HydrophobicContact CG-CG 4.01Å; E416-K474 VanDerWaalsContact OE1-CD 3.26Å; E416-K474 WeakPolarHBondContact OE1-CD 3.37Å; E416-K474 WeakPolarHBondContact OE1-CE 3.37Å; E416-K474 IonicContact OE1-NZ 2.63Å; E416-K474 PolarHBondContact OE1-NZ 3Å; G451-K474 PolarHBondContact O-N 3.36Å; D452-K474 CarbonylContact C-O 3.41Å; D452-K474 VanDerWaalsContact CA-O 3.29Å; D452-K474 WeakPolarHBondContact CA-O 3.36Å; D452-K474 PolarHBondContact O-N 3.07Å; K474-G476 PolarHBondContact O-N 2.88Å; K474-R477 HydrophobicContact CB-CB 4.18Å; K474-R477 HydrophobicContact CG-CB 4.42Å; K474-R477 VanDerWaalsContact O-CB 3.32Å; K474-R477 WeakPolarHBondContact O-CB 3.47Å; K474-R477 PolarHBondContact O-N 3.19Å
475V84.1Confident92.2Very high63 Ų6339.6 Ų39.638%0.38222%0.223SC..THydrogen-bonded Turntrans-58.6131.9173.8177.80000109.7T415 V456 R477T415-V475 WeakPolarHBondContact O-CB 3.47Å; T415-V475 WeakPolarHBondContact O-CG2 3.49Å; T415-V475 PolarHBondContact O-N 3.04Å; V456-V475 HydrophobicContact CG2-CG2 4.25Å; V475-R477 VanDerWaalsContact C-N 3.32Å; V475-R477 PolarHBondContact O-N 2.94Å
476G82.3Confident92.3Very high39 Ų3935.2 Ų35.240%0.40220%0.204SC..THydrogen-bonded Turntrans81-1.3-179.900000115.8K474 Q478 N507K474-G476 PolarHBondContact O-N 2.88Å; G476-Q478 PolarHBondContact O-N 3.27Å; G476-Q478 PolarHBondContact O-NE2 2.87Å; G476-N507 PolarHBondContact N-ND2 2.62Å
477R89.9Confident92.3Very high11 Ų1138.9 Ų38.94%0.04222%0.219CC..  trans-60126.9179.2177.9175.4-70.4153.3-7111.2G451 D452 D472 K474 V475 L504G451-R477 WeakPolarHBondContact O-CD 3.37Å; G451-R477 PolarHBondContact O-NH1 2.68Å; D452-R477 HydrophobicContact CB-CB 4.27Å; D472-R477 PolarHBondContact O-NH1 3.38Å; D472-R477 IonicContact OD1-CZ 2.66Å; D472-R477 IonicContact OD1-NH1 3.13Å; D472-R477 PolarHBondContact OD1-NH1 3.16Å; D472-R477 IonicContact OD1-NH2 3.04Å; D472-R477 PolarHBondContact OD1-NH2 3.47Å; K474-R477 HydrophobicContact CB-CB 4.18Å; K474-R477 HydrophobicContact CG-CB 4.42Å; K474-R477 VanDerWaalsContact O-CB 3.32Å; K474-R477 WeakPolarHBondContact O-CB 3.47Å; K474-R477 PolarHBondContact O-N 3.19Å; V475-R477 VanDerWaalsContact C-N 3.32Å; V475-R477 PolarHBondContact O-N 2.94Å; R477-L504 HydrophobicContact CG-CD2 4.02Å
478Q88.3Confident92.4Very high59 Ų5937.8 Ų37.828%0.27621%0.214SC..  trans-89.6157.6170.1-55-59.6-53.900110.5G476 V480 D481 N507G476-Q478 PolarHBondContact O-N 3.27Å; G476-Q478 PolarHBondContact O-NE2 2.87Å; Q478-V480 VanDerWaalsContact C-N 3.29Å; Q478-V480 HydrophobicContact CB-CG1 4.17Å; Q478-V480 PolarHBondContact O-N 3.48Å; Q478-D481 WeakPolarHBondContact CB-OD2 3.26Å; Q478-D481 PolarHBondContact O-N 3.36Å; Q478-N507 PolarHBondContact NE2-O 3.18Å
479L95Very high92.5Very high4 Ų440.8 Ų40.82%0.02123%0.226CC..Hα-helixtrans-60.8-40.5179.9-173.2149.4000112.2D481 A482 L504 F510 Q514 L515 L518L479-D481 PolarHBondContact O-N 3.23Å; L479-A482 WeakPolarHBondContact O-CB 3.28Å; L479-A482 PolarHBondContact O-N 2.82Å; L479-L504 HydrophobicContact CB-CB 4.35Å; L479-L504 HydrophobicContact CB-CD1 4.38Å; L479-L504 HydrophobicContact CD1-CB 4.27Å; L479-L504 HydrophobicContact CD1-CD1 4.47Å; L479-L504 HydrophobicContact CG-CB 4.47Å; L479-L504 HydrophobicContact CG-CD1 4.09Å; L479-F510 HydrophobicContact CB-CB 3.81Å; L479-F510 HydrophobicContact CB-CD1 3.71Å; L479-F510 HydrophobicContact CB-CE1 4.48Å; L479-F510 HydrophobicContact CB-CG 3.93Å; L479-F510 HydrophobicContact CD1-CB 4.3Å; L479-F510 HydrophobicContact CD1-CD1 3.53Å; L479-F510 HydrophobicContact CD1-CD2 3.9Å; L479-F510 HydrophobicContact CD1-CE1 3.62Å; L479-F510 HydrophobicContact CD1-CE2 4.01Å; L479-F510 HydrophobicContact CD1-CG 3.64Å; L479-F510 HydrophobicContact CD1-CZ 3.83Å; L479-F510 HydrophobicContact CD2-CB 4.46Å; L479-F510 HydrophobicContact CG-CB 4.4Å; L479-F510 HydrophobicContact CG-CD1 4.21Å; L479-F510 HydrophobicContact CG-CG 4.25Å; L479-Q514 HydrophobicContact CD2-CB 3.79Å; L479-Q514 WeakPolarHBondContact CD2-O 3.27Å; L479-L515 HydrophobicContact CD1-CB 4.41Å; L479-L515 HydrophobicContact CD1-CD1 3.85Å; L479-L518 HydrophobicContact CD1-CD2 4.1Å; L479-L518 HydrophobicContact CD2-CB 4.06Å; L479-L518 HydrophobicContact CD2-CD2 4.13Å; L479-L518 HydrophobicContact CG-CD2 3.81Å
480V90.9Very high92.5Very high65 Ų6542.3 Ų42.339%0.39423%0.232SC..Hα-helixtrans-61-29.9-179.868.60000112.7Q478 A482 P484 Q514Q478-V480 VanDerWaalsContact C-N 3.29Å; Q478-V480 HydrophobicContact CB-CG1 4.17Å; Q478-V480 PolarHBondContact O-N 3.48Å; V480-A482 VanDerWaalsContact C-N 3.33Å; V480-P484 WeakPolarHBondContact O-CD 3.26Å; V480-Q514 HydrophobicContact CB-CG 4.39Å; V480-Q514 HydrophobicContact CG2-CG 4.37Å
481D90Very high92.3Very high85 Ų8548 Ų4846%0.45526%0.256SS..Hα-helixtrans-78.6-19.4178.4-57.3-39.1000112.5Q478 L479 I485Q478-D481 WeakPolarHBondContact CB-OD2 3.26Å; Q478-D481 PolarHBondContact O-N 3.36Å; L479-D481 PolarHBondContact O-N 3.23Å; D481-I485 WeakPolarHBondContact O-CD1 3.48Å; D481-I485 WeakPolarHBondContact O-CG1 3.49Å
482A95Very high92.2Very high0 Ų053.1 Ų53.10%028%0.283CS..Hα-helixtrans-74.1-36.1178.800000111.9I450 L479 V480 I485 V486 L504 L518I450-A482 HydrophobicContact CD1-CB 4.03Å; L479-A482 WeakPolarHBondContact O-CB 3.28Å; L479-A482 PolarHBondContact O-N 2.82Å; V480-A482 VanDerWaalsContact C-N 3.33Å; A482-I485 WeakPolarHBondContact O-CB 3.2Å; A482-I485 PolarHBondContact O-N 3.2Å; A482-I485 VanDerWaalsContact O-N 3.09Å; A482-V486 WeakPolarHBondContact O-CG2 3.36Å; A482-V486 PolarHBondContact O-N 3.38Å; A482-L504 HydrophobicContact CB-CD1 3.64Å; A482-L518 HydrophobicContact CB-CD1 4.09Å; A482-L518 HydrophobicContact CB-CD2 4.35Å
483T95.3Very high92.1Very high2 Ų254.5 Ų54.51%0.01229%0.289CS..Hα-helixtrans-59.8-47.3-175.8-54.60000113.2I485 V486 K487 E517 L518T483-I485 VanDerWaalsContact C-N 3.29Å; T483-I485 PolarHBondContact O-N 3.24Å; T483-V486 PolarHBondContact O-N 3.11Å; T483-K487 HydrophobicContact CG2-CD 4.09Å; T483-K487 HydrophobicContact CG2-CG 4.5Å; T483-K487 WeakPolarHBondContact O-CB 2.85Å; T483-K487 WeakPolarHBondContact O-CG 3.4Å; T483-K487 PolarHBondContact O-N 3.19Å; T483-E517 HydrophobicContact CG2-CG 3.94Å; T483-L518 WeakPolarHBondContact OG1-CB 3.47Å
484P94.9Very high92.1Very high78 Ų7855.7 Ų55.751%0.50630%0.299SS..Hα-helixtrans-60.8-34.9173.9-24.134.7000113.4V480 S488V480-P484 WeakPolarHBondContact O-CD 3.26Å; P484-S488 WeakPolarHBondContact O-CB 3.23Å; P484-S488 PolarHBondContact O-N 3.25Å; P484-S488 PolarHBondContact O-OG 2.94Å
485I94.1Very high92.2Very high35 Ų3557 Ų5718%0.17930%0.304CS..Hα-helixtrans-65.7-47.6177.1-60.9170.4000109.8I450 D481 A482 T483 K487 S488 Q489 Y490I450-I485 HydrophobicContact CD1-CG2 4.34Å; D481-I485 WeakPolarHBondContact O-CD1 3.48Å; D481-I485 WeakPolarHBondContact O-CG1 3.49Å; A482-I485 WeakPolarHBondContact O-CB 3.2Å; A482-I485 PolarHBondContact O-N 3.2Å; A482-I485 VanDerWaalsContact O-N 3.09Å; T483-I485 VanDerWaalsContact C-N 3.29Å; T483-I485 PolarHBondContact O-N 3.24Å; I485-K487 PolarHBondContact O-N 2.72Å; I485-S488 PolarHBondContact O-N 2.92Å; I485-S488 PolarHBondContact O-OG 2.81Å; I485-Q489 WeakPolarHBondContact O-CB 3.37Å; I485-Q489 PolarHBondContact O-N 3.11Å; I485-Y490 HydrophobicContact CG2-CD2 4.11Å; I485-Y490 HydrophobicContact CG2-CE2 3.7Å
486V95.1Very high92.5Very high1 Ų162.7 Ų62.71%0.00632%0.324CS..Hα-helixtrans-60.9-47.7178.2176.50000111I450 A482 T483 S488 Y490 K491 L518 S521 F522I450-V486 HydrophobicContact CD1-CG2 3.84Å; A482-V486 WeakPolarHBondContact O-CG2 3.36Å; A482-V486 PolarHBondContact O-N 3.38Å; T483-V486 PolarHBondContact O-N 3.11Å; V486-S488 VanDerWaalsContact C-N 3.27Å; V486-S488 PolarHBondContact O-N 3.36Å; V486-Y490 CarbonylContact O-C 3.59Å; V486-Y490 PolarHBondContact O-N 3.06Å; V486-K491 PolarHBondContact O-N 2.72Å; V486-L518 HydrophobicContact CG2-CD1 3.87Å; V486-S521 WeakPolarHBondContact CG1-OG 3.45Å; V486-F522 HydrophobicContact CB-CE1 4.29Å; V486-F522 HydrophobicContact CB-CZ 4.34Å; V486-F522 HydrophobicContact CG1-CD1 3.74Å; V486-F522 HydrophobicContact CG1-CE1 3.44Å; V486-F522 VanDerWaalsContact CG1-CE1 3.44Å; V486-F522 HydrophobicContact CG1-CG 4.4Å; V486-F522 HydrophobicContact CG1-CZ 3.88Å; V486-F522 HydrophobicContact CG2-CE1 3.78Å; V486-F522 HydrophobicContact CG2-CE2 4.22Å; V486-F522 HydrophobicContact CG2-CZ 3.45Å; V486-F522 VanDerWaalsContact CG2-CZ 3.45Å
487K94.3Very high92.8Very high99 Ų9962.8 Ų62.843%0.4333%0.325SS..Hα-helixtrans-62.7-30.4179.1-73.2177.4178174.10113T483 I485 K491 E517T483-K487 HydrophobicContact CG2-CD 4.09Å; T483-K487 HydrophobicContact CG2-CG 4.5Å; T483-K487 WeakPolarHBondContact O-CB 2.85Å; T483-K487 WeakPolarHBondContact O-CG 3.4Å; T483-K487 PolarHBondContact O-N 3.19Å; I485-K487 PolarHBondContact O-N 2.72Å; K487-K491 WeakPolarHBondContact O-CE 3.37Å; K487-K491 VanDerWaalsContact O-CG 3.29Å; K487-K491 WeakPolarHBondContact O-CG 3.47Å; K487-E517 IonicContact NZ-OE1 3.62Å; K487-E517 PolarHBondContact NZ-OE1 3.33Å
488S93.9Very high93Very high82 Ų8264.6 Ų64.657%0.57333%0.334SS*.Hα-helixtrans-93.8-39.9-177.456.30000113.8P484 I485 V486P484-S488 WeakPolarHBondContact O-CB 3.23Å; P484-S488 PolarHBondContact O-N 3.25Å; P484-S488 PolarHBondContact O-OG 2.94Å; I485-S488 PolarHBondContact O-N 2.92Å; I485-S488 PolarHBondContact O-OG 2.81Å; V486-S488 VanDerWaalsContact C-N 3.27Å; V486-S488 PolarHBondContact O-N 3.36Å
489Q93.6Very high93.4Very high117 Ų11763.6 Ų63.655%0.54733%0.328SS..Hα-helixtrans-109.6-25.3-168.1-60.8-1783.600113.8I485I485-Q489 WeakPolarHBondContact O-CB 3.37Å; I485-Q489 PolarHBondContact O-N 3.11Å
490Y94.5Very high93.5Very high33 Ų3363.4 Ų63.413%0.12933%0.327CS..  trans-120.623.5-168-58.7-57.8000114.3L448 D472 I485 V486 D492 Y493L448-Y490 HydrophobicContact CD1-CD1 3.88Å; L448-Y490 HydrophobicContact CD1-CD2 4.3Å; L448-Y490 HydrophobicContact CD1-CE1 3.7Å; L448-Y490 HydrophobicContact CD1-CE2 4.14Å; L448-Y490 HydrophobicContact CD1-CG 4.2Å; L448-Y490 HydrophobicContact CD2-CD1 3.92Å; L448-Y490 HydrophobicContact CD2-CD2 3.87Å; L448-Y490 HydrophobicContact CD2-CE2 4.49Å; L448-Y490 HydrophobicContact CD2-CG 3.55Å; D472-Y490 HydrophobicContact CB-CE2 4.4Å; D472-Y490 WeakPolarHBondContact CB-OH 3.23Å; D472-Y490 PolarHBondContact OD2-OH 3.4Å; I485-Y490 HydrophobicContact CG2-CD2 4.11Å; I485-Y490 HydrophobicContact CG2-CE2 3.7Å; V486-Y490 CarbonylContact O-C 3.59Å; V486-Y490 PolarHBondContact O-N 3.06Å; Y490-D492 PolarHBondContact O-N 3.11Å; Y490-D492 VanDerWaalsContact O-N 3.1Å; Y490-Y493 HydrophobicContact CD1-CD2 4.09Å; Y490-Y493 HydrophobicContact CD1-CE2 4.3Å; Y490-Y493 WeakPolarHBondContact O-CB 3.37Å; Y490-Y493 PolarHBondContact O-N 3.04Å
491K92.3Very high93.9Very high149 Ų14960.3 Ų60.365%0.64831%0.309SS*.G310 helixtrans-53.1-33.2176.1-64.8-172.9-176.1-178.30113.5V486 K487 Y493 A494V486-K491 PolarHBondContact O-N 2.72Å; K487-K491 WeakPolarHBondContact O-CE 3.37Å; K487-K491 VanDerWaalsContact O-CG 3.29Å; K487-K491 WeakPolarHBondContact O-CG 3.47Å; K491-Y493 PolarHBondContact O-N 2.79Å; K491-A494 WeakPolarHBondContact O-CB 3.22Å; K491-A494 PolarHBondContact O-N 3.39Å; K491-A494 VanDerWaalsContact O-N 3.12Å
492D92Very high94.3Very high108 Ų10856.3 Ų56.358%0.57829%0.287SS*.G310 helixtrans-68.5-21.7178.8-76.7-41000113.9Y490 A494 K495Y490-D492 PolarHBondContact O-N 3.11Å; Y490-D492 VanDerWaalsContact O-N 3.1Å; D492-A494 VanDerWaalsContact C-N 3.34Å; D492-K495 IonicContact OD1-NZ 2.66Å; D492-K495 PolarHBondContact OD1-NZ 2.88Å
493Y95Very high94.4Very high30 Ų3056.4 Ų56.412%0.11829%0.288CS..G310 helixtrans-81.5-12.5174.1-74.8-94.3000112.8S446 L448 Q470 Y490 K491 K495 Q498 V500 A525S446-Y493 WeakPolarHBondContact O-CE1 3.23Å; S446-Y493 PolarHBondContact OG-OH 3.09Å; L448-Y493 HydrophobicContact CB-CD1 3.35Å; L448-Y493 HydrophobicContact CB-CD2 4.38Å; L448-Y493 HydrophobicContact CB-CE1 3.43Å; L448-Y493 VanDerWaalsContact CB-CE1 3.43Å; L448-Y493 HydrophobicContact CB-CE2 4.49Å; L448-Y493 HydrophobicContact CB-CG 3.85Å; L448-Y493 HydrophobicContact CD2-CD1 4.4Å; L448-Y493 HydrophobicContact CD2-CD2 4.38Å; L448-Y493 HydrophobicContact CD2-CG 4.07Å; L448-Y493 HydrophobicContact CG-CD1 4.49Å; Q470-Y493 WeakPolarHBondContact CG-OH 3.46Å; Y490-Y493 HydrophobicContact CD1-CD2 4.09Å; Y490-Y493 HydrophobicContact CD1-CE2 4.3Å; Y490-Y493 WeakPolarHBondContact O-CB 3.37Å; Y490-Y493 PolarHBondContact O-N 3.04Å; K491-Y493 PolarHBondContact O-N 2.79Å; Y493-K495 PolarHBondContact O-N 2.94Å; Y493-Q498 WeakPolarHBondContact O-CB 3.26Å; Y493-V500 HydrophobicContact CD1-CG1 4.32Å; Y493-A525 VanDerWaalsContact O-CB 3.27Å; Y493-A525 WeakPolarHBondContact O-CB 3.44Å
494A93.8Very high94.5Very high25 Ų2556.5 Ų56.521%0.20729%0.288CS..SBendtrans-79.822.3-178.400000114.4K491 D492 S521 F522 K524K491-A494 WeakPolarHBondContact O-CB 3.22Å; K491-A494 PolarHBondContact O-N 3.39Å; K491-A494 VanDerWaalsContact O-N 3.12Å; D492-A494 VanDerWaalsContact C-N 3.34Å; A494-S521 WeakPolarHBondContact CB-O 3.49Å; A494-F522 CarbonylContact C-O 3.36Å; A494-F522 WeakPolarHBondContact CA-O 3.42Å; A494-K524 PolarHBondContact O-N 2.98Å
495K91.9Very high94.4Very high111 Ų11152.9 Ų52.948%0.48327%0.266SS..SBendtrans-111.3152.6-170.4-62.2176.5-170.8165.10111.4D492 Y493 G497 Q498D492-K495 IonicContact OD1-NZ 2.66Å; D492-K495 PolarHBondContact OD1-NZ 2.88Å; Y493-K495 PolarHBondContact O-N 2.94Å; K495-G497 PolarHBondContact O-N 3.28Å; K495-Q498 HydrophobicContact CB-CG 4.07Å; K495-Q498 WeakPolarHBondContact O-CB 3.5Å; K495-Q498 WeakPolarHBondContact O-CG 3.32Å; K495-Q498 PolarHBondContact O-N 3.26Å; K495-Q498 VanDerWaalsContact O-N 3.1Å
496K91.5Very high94.3Very high184 Ų18451.4 Ų51.480%0.826%0.258SS*.THydrogen-bonded Turntrans-56.4132.3175.1-170175.7-1781800110.3Q498 K524K496-Q498 VanDerWaalsContact C-N 3.33Å; K496-K524 WeakPolarHBondContact CA-O 3.33Å; K496-K524 HydrophobicContact CB-CB 4.11Å
497G88.7Confident93.9Very high41 Ų4153.4 Ų53.442%0.42327%0.269SS..THydrogen-bonded Turntrans87.5-6.6-178.600000115S445 K495S445-G497 PolarHBondContact OG-O 3.01Å; K495-G497 PolarHBondContact O-N 3.28Å
498Q93.9Very high93.4Very high48 Ų4849.1 Ų49.122%0.22425%0.253CS..  trans-80148.8166.6-59.6-61.7-29.500110Y493 K495 K496 A525 D526Y493-Q498 WeakPolarHBondContact O-CB 3.26Å; K495-Q498 HydrophobicContact CB-CG 4.07Å; K495-Q498 WeakPolarHBondContact O-CB 3.5Å; K495-Q498 WeakPolarHBondContact O-CG 3.32Å; K495-Q498 PolarHBondContact O-N 3.26Å; K495-Q498 VanDerWaalsContact O-N 3.1Å; K496-Q498 VanDerWaalsContact C-N 3.33Å; Q498-A525 HydrophobicContact CB-CB 4.35Å; Q498-D526 PolarHBondContact O-N 3.03Å
499K96.2Very high93.1Very high38 Ų3847.1 Ų47.117%0.16524%0.241CC..EExtended strand (participates in β ladder)trans-115.4129.1177-63.5-168.9178.179.20109.2P447 L448 D526 Y528 M595P447-K499 WeakPolarHBondContact CA-O 3.37Å; P447-K499 HydrophobicContact CB-CB 4.21Å; L448-K499 PolarHBondContact N-O 3.27Å; K499-D526 WeakPolarHBondContact CA-O 3.49Å; K499-Y528 HydrophobicContact CB-CD2 4.48Å; K499-Y528 HydrophobicContact CB-CE2 3.91Å; K499-Y528 HydrophobicContact CD-CE2 3.95Å; K499-Y528 HydrophobicContact CG-CE2 3.95Å; K499-M595 HydrophobicContact CB-CE 4.14Å; K499-M595 HydrophobicContact CD-CB 4.44Å; K499-M595 HydrophobicContact CD-CE 3.71Å
500V97.5Very high93.1Very high0 Ų042 Ų420%022%0.217CC..EExtended strand (participates in β ladder)trans-127.8133178-55.60000109.9L448 Y493 F522 A525 D526 I527 Y528L448-V500 HydrophobicContact CB-CG1 4.19Å; L448-V500 HydrophobicContact CD2-CG1 4.39Å; L448-V500 CarbonylContact O-C 3.09Å; L448-V500 VanDerWaalsContact O-CA 3.25Å; L448-V500 WeakPolarHBondContact O-CA 3.27Å; Y493-V500 HydrophobicContact CD1-CG1 4.32Å; V500-F522 HydrophobicContact CB-CD1 4.11Å; V500-F522 HydrophobicContact CB-CE1 4.06Å; V500-F522 HydrophobicContact CB-CZ 4.42Å; V500-F522 HydrophobicContact CG1-CD1 3.78Å; V500-F522 HydrophobicContact CG1-CE1 3.92Å; V500-F522 HydrophobicContact CG2-CB 4.23Å; V500-F522 HydrophobicContact CG2-CD1 3.86Å; V500-F522 HydrophobicContact CG2-CD2 4.07Å; V500-F522 HydrophobicContact CG2-CE1 4.17Å; V500-F522 HydrophobicContact CG2-CE2 4.36Å; V500-F522 HydrophobicContact CG2-CG 3.8Å; V500-F522 HydrophobicContact CG2-CZ 4.39Å; V500-A525 HydrophobicContact CG1-CB 4.21Å; V500-A525 HydrophobicContact CG2-CB 4.26Å; V500-D526 PolarHBondContact N-O 2.75Å; V500-I527 HydrophobicContact CG2-CB 3.95Å; V500-I527 HydrophobicContact CG2-CG1 3.6Å; V500-I527 HydrophobicContact CG2-CG2 4.04Å; V500-I527 CarbonylContact O-C 3.57Å; V500-I527 WeakPolarHBondContact O-CA 3.41Å; V500-Y528 PolarHBondContact O-N 3.05Å
501V98.3Very high93Very high0 Ų043.7 Ų43.70%023%0.231CC..EExtended strand (participates in β ladder)trans-106.4130.7174-174.40000107.8L448 L449 I450 M455 Y528 V530 I591 M595L448-V501 PolarHBondContact O-N 3.13Å; L449-V501 HydrophobicContact CB-CB 4.26Å; L449-V501 HydrophobicContact CD2-CB 4.01Å; L449-V501 HydrophobicContact CD2-CG1 4.35Å; L449-V501 HydrophobicContact CD2-CG2 3.95Å; L449-V501 HydrophobicContact CG-CB 3.78Å; L449-V501 HydrophobicContact CG-CG2 3.78Å; I450-V501 PolarHBondContact N-O 3.05Å; M455-V501 HydrophobicContact CE-CG1 4.49Å; V501-Y528 WeakPolarHBondContact CA-O 3.48Å; V501-V530 HydrophobicContact CG1-CG2 3.92Å; V501-I591 HydrophobicContact CG1-CD1 4.21Å; V501-I591 HydrophobicContact CG1-CG1 4.44Å; V501-I591 HydrophobicContact CG1-CG2 4.05Å; V501-I591 HydrophobicContact CG2-CG2 3.72Å; V501-M595 HydrophobicContact CG2-SD 3.96Å
502V98.4Very high93.2Very high1 Ų141 Ų411%0.00622%0.219CC..EExtended strand (participates in β ladder)trans-117.7113.5178.8-179.70000108.2I450 L504 L518 F522 I527 Y528 L529 V530I450-V502 HydrophobicContact CG2-CG2 4.26Å; V502-L504 HydrophobicContact CG1-CB 4.42Å; V502-L504 HydrophobicContact CG1-CD1 3.82Å; V502-L504 HydrophobicContact CG1-CG 4.23Å; V502-L518 HydrophobicContact CG1-CD2 3.9Å; V502-F522 HydrophobicContact CG2-CD2 4.37Å; V502-F522 HydrophobicContact CG2-CE2 3.61Å; V502-F522 HydrophobicContact CG2-CZ 4.21Å; V502-I527 HydrophobicContact CG2-CG2 3.95Å; V502-Y528 PolarHBondContact N-O 3.28Å; V502-L529 HydrophobicContact CB-CD1 3.78Å; V502-L529 HydrophobicContact CG1-CD1 3.75Å; V502-V530 PolarHBondContact O-N 2.98Å
503E98Very high93.4Very high3 Ų341.7 Ų41.71%0.01422%0.223CC..EExtended strand (participates in β ladder)trans-122.687.1178.3-167.1-70.5123.700107.7I450 G451 D452 V454 M455 T506 V530I450-E503 PolarHBondContact O-N 3.26Å; G451-E503 CarbonylContact C-O 3.43Å; G451-E503 WeakPolarHBondContact CA-O 3.37Å; D452-E503 PolarHBondContact N-O 2.77Å; V454-E503 VanDerWaalsContact CB-CD 3.44Å; V454-E503 HydrophobicContact CB-CG 4.4Å; V454-E503 WeakPolarHBondContact CB-OE1 3.48Å; V454-E503 VanDerWaalsContact CB-OE2 3.28Å; V454-E503 WeakPolarHBondContact CB-OE2 3.48Å; V454-E503 HydrophobicContact CG1-CG 4.04Å; M455-E503 HydrophobicContact CE-CB 3.51Å; M455-E503 HydrophobicContact CE-CG 4.4Å; M455-E503 PolarHBondContact N-OE2 3.27Å; E503-T506 PolarHBondContact OE1-OG1 3.41Å; E503-V530 HydrophobicContact CB-CB 4.27Å; E503-V530 HydrophobicContact CB-CG2 4.1Å; E503-V530 HydrophobicContact CG-CB 4.09Å; E503-V530 HydrophobicContact CG-CG1 4.19Å; E503-V530 HydrophobicContact CG-CG2 4.24Å
504L96.3Very high93.5Very high3 Ų342.8 Ų42.82%0.01623%0.229CC..  trans-140.2142.6-175.3-70.2165.2000108.7D452 R477 L479 A482 V502 F510 L518D452-L504 HydrophobicContact CB-CD2 4.18Å; R477-L504 HydrophobicContact CG-CD2 4.02Å; L479-L504 HydrophobicContact CB-CB 4.35Å; L479-L504 HydrophobicContact CB-CD1 4.38Å; L479-L504 HydrophobicContact CD1-CB 4.27Å; L479-L504 HydrophobicContact CD1-CD1 4.47Å; L479-L504 HydrophobicContact CG-CB 4.47Å; L479-L504 HydrophobicContact CG-CD1 4.09Å; A482-L504 HydrophobicContact CB-CD1 3.64Å; V502-L504 HydrophobicContact CG1-CB 4.42Å; V502-L504 HydrophobicContact CG1-CD1 3.82Å; V502-L504 HydrophobicContact CG1-CG 4.23Å; L504-F510 WeakPolarHBondContact O-CE1 3.42Å; L504-L518 HydrophobicContact CD1-CD2 3.53Å
505G93.8Very high93.7Very high3 Ų341.8 Ų41.83%0.03122%0.22CC..SBendtrans126.5-15.6175.600000113.2D452 G508 I532 Y538D452-G505 PolarHBondContact OD2-N 2.72Å; G505-G508 CarbonylContact C-O 3.36Å; G505-G508 WeakPolarHBondContact CA-O 3.42Å; G505-I532 VanDerWaalsContact O-CD1 3.29Å; G505-I532 WeakPolarHBondContact O-CD1 3.44Å; G505-Y538 WeakPolarHBondContact O-CE2 3.27Å
506T92.1Very high93.9Very high4 Ų438.7 Ų38.73%0.02521%0.209CC..SBendtrans-65.8-45.3176.8-53.40000109.8D452 V454 E503 G508 V534 Y538 I577D452-T506 WeakPolarHBondContact OD2-CB 3.26Å; D452-T506 PolarHBondContact OD2-N 2.95Å; V454-T506 HydrophobicContact CG2-CG2 3.87Å; E503-T506 PolarHBondContact OE1-OG1 3.41Å; T506-G508 PolarHBondContact O-N 2.79Å; T506-V534 HydrophobicContact CG2-CB 4.2Å; T506-V534 HydrophobicContact CG2-CG2 4.01Å; T506-Y538 PolarHBondContact O-OH 3.43Å; T506-Y538 VanDerWaalsContact O-OH 3.06Å; T506-I577 HydrophobicContact CG2-CG2 3.76Å
507N87.1Confident94.2Very high42 Ų4234.1 Ų34.123%0.22519%0.191CC..SBendtrans-81.8-3.1-179.6-77.8-31.7000115.8D452 S453 G476 Q478D452-N507 HydrophobicContact CB-CB 4.2Å; D452-N507 WeakPolarHBondContact CB-ND2 3.47Å; D452-N507 PolarHBondContact OD2-N 2.93Å; S453-N507 WeakPolarHBondContact CB-ND2 3.2Å; S453-N507 PolarHBondContact N-ND2 2.96Å; S453-N507 VanDerWaalsContact N-ND2 3.12Å; S453-N507 PolarHBondContact OG-ND2 3.35Å; S453-N507 PolarHBondContact OG-OD1 2.83Å; G476-N507 PolarHBondContact N-ND2 2.62Å; Q478-N507 PolarHBondContact NE2-O 3.18Å
508G81.9Confident94.6Very high10 Ų1032.2 Ų32.210%0.10317%0.171CC..SBendtrans169.1157.9175.100000114G505 T506 Y538G505-G508 CarbonylContact C-O 3.36Å; G505-G508 WeakPolarHBondContact CA-O 3.42Å; T506-G508 PolarHBondContact O-N 2.79Å; G508-Y538 WeakPolarHBondContact CA-OH 3.4Å; G508-Y538 PolarHBondContact N-OH 2.81Å
509A88.6Confident94.8Very high39 Ų3930 Ų3032%0.32216%0.16SC..  trans-70.7154.4178.900000112.2Y538 I542A509-Y538 HydrophobicContact CB-CD1 3.97Å; A509-Y538 HydrophobicContact CB-CD2 4.11Å; A509-Y538 HydrophobicContact CB-CE1 4.43Å; A509-Y538 HydrophobicContact CB-CG 3.78Å; A509-I542 HydrophobicContact CB-CD1 4.07Å; A509-I542 HydrophobicContact CB-CG1 4.36Å
510F92.9Very high94.9Very high9 Ų932.6 Ų32.64%0.03918%0.176CC..  trans-137.6162.9171.853.2-104.4000111.5L479 L504 Q514 L515 I542 L545 I546L479-F510 HydrophobicContact CB-CB 3.81Å; L479-F510 HydrophobicContact CB-CD1 3.71Å; L479-F510 HydrophobicContact CB-CE1 4.48Å; L479-F510 HydrophobicContact CB-CG 3.93Å; L479-F510 HydrophobicContact CD1-CB 4.3Å; L479-F510 HydrophobicContact CD1-CD1 3.53Å; L479-F510 HydrophobicContact CD1-CD2 3.9Å; L479-F510 HydrophobicContact CD1-CE1 3.62Å; L479-F510 HydrophobicContact CD1-CE2 4.01Å; L479-F510 HydrophobicContact CD1-CG 3.64Å; L479-F510 HydrophobicContact CD1-CZ 3.83Å; L479-F510 HydrophobicContact CD2-CB 4.46Å; L479-F510 HydrophobicContact CG-CB 4.4Å; L479-F510 HydrophobicContact CG-CD1 4.21Å; L479-F510 HydrophobicContact CG-CG 4.25Å; L504-F510 WeakPolarHBondContact O-CE1 3.42Å; F510-Q514 VanDerWaalsContact CA-OE1 3.31Å; F510-Q514 HydrophobicContact CB-CB 4.49Å; F510-L515 HydrophobicContact CD2-CB 4.05Å; F510-L515 HydrophobicContact CE2-CB 3.96Å; F510-L515 HydrophobicContact CE2-CD1 4.24Å; F510-L515 HydrophobicContact CE2-CD2 4.03Å; F510-L515 HydrophobicContact CE2-CG 4.29Å; F510-L515 HydrophobicContact CZ-CD1 4.49Å; F510-I542 HydrophobicContact CD1-CD1 4.34Å; F510-I542 HydrophobicContact CD1-CG2 4.31Å; F510-I542 HydrophobicContact CD2-CD1 4.09Å; F510-I542 HydrophobicContact CE1-CD1 4.5Å; F510-I542 HydrophobicContact CE1-CG2 3.49Å; F510-I542 VanDerWaalsContact CE1-CG2 3.49Å; F510-I542 HydrophobicContact CE2-CD1 4.23Å; F510-I542 HydrophobicContact CE2-CG2 4Å; F510-I542 HydrophobicContact CG-CD1 4.16Å; F510-I542 HydrophobicContact CZ-CD1 4.47Å; F510-I542 HydrophobicContact CZ-CG2 3.33Å; F510-I542 VanDerWaalsContact N-CD1 3.35Å; F510-I542 VanDerWaalsContact O-CD1 3.23Å; F510-I542 WeakPolarHBondContact O-CD1 3.43Å; F510-L545 HydrophobicContact CD2-CD1 4.22Å; F510-L545 HydrophobicContact CE2-CB 4.36Å; F510-L545 HydrophobicContact CE2-CD1 4.21Å; F510-I546 HydrophobicContact CZ-CD1 4.2Å; F510-I546 HydrophobicContact CZ-CG1 4.11Å
511T93.5Very high94.9Very high70 Ų7033.7 Ų33.743%0.42918%0.184SC..  trans-90.6164.6177.374.20000111.7D513 Q514 L515T511-D513 VanDerWaalsContact C-N 3.25Å; T511-D513 PolarHBondContact O-N 2.9Å; T511-Q514 PolarHBondContact O-N 2.63Å; T511-Q514 WeakPolarHBondContact OG1-CG 3.4Å; T511-Q514 PolarHBondContact OG1-N 3.35Å; T511-L515 PolarHBondContact O-N 2.86Å; T511-L515 VanDerWaalsContact O-N 3.09Å
512K96.4Very high94.8Very high92 Ų9233.7 Ų33.740%0.418%0.184SC..Hα-helixtrans-58.6-38.3174.6-173.9167.3-179.3160.90112.4N516 L545 E548K512-N516 WeakPolarHBondContact O-CB 3.33Å; K512-N516 PolarHBondContact O-N 3.48Å; K512-N516 PolarHBondContact O-ND2 2.88Å; K512-L545 HydrophobicContact CB-CD2 3.92Å; K512-L545 HydrophobicContact CD-CD2 4.28Å; K512-L545 HydrophobicContact CG-CD2 4.21Å; K512-E548 IonicContact NZ-OE2 3.2Å; K512-E548 PolarHBondContact NZ-OE2 3.31Å
513D96Very high94.6Very high122 Ų12235.7 Ų35.765%0.65220%0.204SC*.Hα-helixtrans-70.5-42.5-179.1-61.3-29000111.6T511 L515 N516 E517T511-D513 VanDerWaalsContact C-N 3.25Å; T511-D513 PolarHBondContact O-N 2.9Å; D513-L515 VanDerWaalsContact C-N 3.34Å; D513-L515 PolarHBondContact O-N 3.06Å; D513-N516 PolarHBondContact O-N 3.39Å; D513-E517 WeakPolarHBondContact O-CB 3.37Å; D513-E517 PolarHBondContact O-N 3.4Å
514Q95.9Very high94.5Very high54 Ų5443 Ų4325%0.25224%0.236SC..Hα-helixtrans-59.9-45174.9-70.4168.9-19.900111.3L479 V480 F510 T511 E517 L518L479-Q514 HydrophobicContact CD2-CB 3.79Å; L479-Q514 WeakPolarHBondContact CD2-O 3.27Å; V480-Q514 HydrophobicContact CB-CG 4.39Å; V480-Q514 HydrophobicContact CG2-CG 4.37Å; F510-Q514 VanDerWaalsContact CA-OE1 3.31Å; F510-Q514 HydrophobicContact CB-CB 4.49Å; T511-Q514 PolarHBondContact O-N 2.63Å; T511-Q514 WeakPolarHBondContact OG1-CG 3.4Å; T511-Q514 PolarHBondContact OG1-N 3.35Å; Q514-E517 PolarHBondContact O-N 3.48Å; Q514-L518 PolarHBondContact O-N 3.34Å; Q514-L518 VanDerWaalsContact O-N 3.11Å
515L98Very high94.5Very high3 Ų342.8 Ų42.82%0.01624%0.235CC..Hα-helixtrans-60.2-48.6175.8177.663000111.2L479 F510 T511 D513 E517 L518 L519 L529 L545 A549L479-L515 HydrophobicContact CD1-CB 4.41Å; L479-L515 HydrophobicContact CD1-CD1 3.85Å; F510-L515 HydrophobicContact CD2-CB 4.05Å; F510-L515 HydrophobicContact CE2-CB 3.96Å; F510-L515 HydrophobicContact CE2-CD1 4.24Å; F510-L515 HydrophobicContact CE2-CD2 4.03Å; F510-L515 HydrophobicContact CE2-CG 4.29Å; F510-L515 HydrophobicContact CZ-CD1 4.49Å; T511-L515 PolarHBondContact O-N 2.86Å; T511-L515 VanDerWaalsContact O-N 3.09Å; D513-L515 VanDerWaalsContact C-N 3.34Å; D513-L515 PolarHBondContact O-N 3.06Å; L515-E517 PolarHBondContact O-N 3.3Å; L515-L518 PolarHBondContact O-N 3.22Å; L515-L519 HydrophobicContact CD1-CD1 4Å; L515-L519 HydrophobicContact CD1-CD2 4.49Å; L515-L519 HydrophobicContact CD1-CG 4.08Å; L515-L519 HydrophobicContact CG-CD1 3.92Å; L515-L519 HydrophobicContact CG-CG 4.37Å; L515-L519 VanDerWaalsContact O-CG 3.27Å; L515-L519 WeakPolarHBondContact O-CG 3.17Å; L515-L519 PolarHBondContact O-N 3.09Å; L515-L529 HydrophobicContact CD1-CD1 4.45Å; L515-L529 HydrophobicContact CD1-CD2 4.39Å; L515-L545 HydrophobicContact CD2-CB 4.06Å; L515-A549 HydrophobicContact CD2-CB 3.87Å
516N97.6Very high94.6Very high47 Ų4743.6 Ų43.625%0.25124%0.238SC..Hα-helixtrans-59.9-44.3178.8-80.2-37000112.2K512 D513 L518 L519 D520 R553K512-N516 WeakPolarHBondContact O-CB 3.33Å; K512-N516 PolarHBondContact O-N 3.48Å; K512-N516 PolarHBondContact O-ND2 2.88Å; D513-N516 PolarHBondContact O-N 3.39Å; N516-L518 VanDerWaalsContact C-N 3.32Å; N516-L518 PolarHBondContact O-N 2.71Å; N516-L519 PolarHBondContact O-N 2.93Å; N516-D520 WeakPolarHBondContact O-CB 3.41Å; N516-D520 PolarHBondContact O-N 3.02Å; N516-R553 PolarHBondContact OD1-NH2 3.11Å; N516-R553 VanDerWaalsContact OD1-NH2 3.08Å
517E97.4Very high94.9Very high88 Ų8843.4 Ų43.441%0.41124%0.237SC..Hα-helixtrans-60.6-41.6179.3-162.8-164.1162.300112T483 K487 D513 Q514 L515 S521T483-E517 HydrophobicContact CG2-CG 3.94Å; K487-E517 IonicContact NZ-OE1 3.62Å; K487-E517 PolarHBondContact NZ-OE1 3.33Å; D513-E517 WeakPolarHBondContact O-CB 3.37Å; D513-E517 PolarHBondContact O-N 3.4Å; Q514-E517 PolarHBondContact O-N 3.48Å; L515-E517 PolarHBondContact O-N 3.3Å; E517-S521 PolarHBondContact O-N 3.4Å; E517-S521 VanDerWaalsContact O-N 3.16Å
518L97.7Very high95.4Very high0 Ų041.4 Ų41.40%023%0.227CC..Hα-helixtrans-64-49.5175.3178.862.9000111.1L479 A482 T483 V486 V502 L504 Q514 L515 N516 D520 S521 F522L479-L518 HydrophobicContact CD1-CD2 4.1Å; L479-L518 HydrophobicContact CD2-CB 4.06Å; L479-L518 HydrophobicContact CD2-CD2 4.13Å; L479-L518 HydrophobicContact CG-CD2 3.81Å; A482-L518 HydrophobicContact CB-CD1 4.09Å; A482-L518 HydrophobicContact CB-CD2 4.35Å; T483-L518 WeakPolarHBondContact OG1-CB 3.47Å; V486-L518 HydrophobicContact CG2-CD1 3.87Å; V502-L518 HydrophobicContact CG1-CD2 3.9Å; L504-L518 HydrophobicContact CD1-CD2 3.53Å; Q514-L518 PolarHBondContact O-N 3.34Å; Q514-L518 VanDerWaalsContact O-N 3.11Å; L515-L518 PolarHBondContact O-N 3.22Å; N516-L518 VanDerWaalsContact C-N 3.32Å; N516-L518 PolarHBondContact O-N 2.71Å; L518-D520 VanDerWaalsContact C-N 3.31Å; L518-D520 PolarHBondContact O-N 3.45Å; L518-S521 WeakPolarHBondContact O-CB 3.44Å; L518-S521 PolarHBondContact O-N 3.36Å; L518-S521 VanDerWaalsContact O-N 3.12Å; L518-S521 PolarHBondContact O-OG 3.21Å; L518-F522 HydrophobicContact CD1-CE2 3.99Å; L518-F522 HydrophobicContact CD1-CZ 4.5Å; L518-F522 HydrophobicContact CG-CE2 4.15Å; L518-F522 WeakPolarHBondContact O-CD2 3.39Å
519L97.9Very high96.2Very high1 Ų141.1 Ų41.11%0.00522%0.223CC..Hα-helixtrans-61.8-40.1-178.8-65.3176.5000111.7L515 N516 S521 F522 I527 A549 V556L515-L519 HydrophobicContact CD1-CD1 4Å; L515-L519 HydrophobicContact CD1-CD2 4.49Å; L515-L519 HydrophobicContact CD1-CG 4.08Å; L515-L519 HydrophobicContact CG-CD1 3.92Å; L515-L519 HydrophobicContact CG-CG 4.37Å; L515-L519 VanDerWaalsContact O-CG 3.27Å; L515-L519 WeakPolarHBondContact O-CG 3.17Å; L515-L519 PolarHBondContact O-N 3.09Å; N516-L519 PolarHBondContact O-N 2.93Å; L519-S521 VanDerWaalsContact C-N 3.27Å; L519-S521 PolarHBondContact O-N 2.95Å; L519-F522 PolarHBondContact O-N 3.35Å; L519-I527 HydrophobicContact CB-CD1 4.31Å; L519-I527 HydrophobicContact CD2-CD1 3.98Å; L519-I527 HydrophobicContact CD2-CG2 3.79Å; L519-A549 HydrophobicContact CD1-CB 3.76Å; L519-V556 HydrophobicContact CD1-CG2 4.42Å; L519-V556 HydrophobicContact CD2-CG2 4.4Å
520D97.4Very high96.7Very high94 Ų9439.2 Ų39.250%0.50321%0.207SC..Hα-helixtrans-64.3-32.1176.6-68.9-22.6000112.1N516 L518 F522 G523 R553N516-D520 WeakPolarHBondContact O-CB 3.41Å; N516-D520 PolarHBondContact O-N 3.02Å; L518-D520 VanDerWaalsContact C-N 3.31Å; L518-D520 PolarHBondContact O-N 3.45Å; D520-F522 PolarHBondContact O-N 2.68Å; D520-G523 PolarHBondContact O-N 3.39Å; D520-R553 IonicContact OD1-CZ 3.19Å; D520-R553 IonicContact OD1-NH1 3.98Å; D520-R553 PolarHBondContact OD1-NH1 3.4Å; D520-R553 IonicContact OD1-NH2 3.17Å; D520-R553 PolarHBondContact OD1-NH2 3.4Å; D520-R553 IonicContact OD2-NH2 2.74Å
521S96.8Very high97Very high23 Ų2338.8 Ų38.816%0.16121%0.205CC..Hα-helixtrans-65.6-18.317879.80000114.1V486 A494 E517 L518 L519 G523V486-S521 WeakPolarHBondContact CG1-OG 3.45Å; A494-S521 WeakPolarHBondContact CB-O 3.49Å; E517-S521 PolarHBondContact O-N 3.4Å; E517-S521 VanDerWaalsContact O-N 3.16Å; L518-S521 WeakPolarHBondContact O-CB 3.44Å; L518-S521 PolarHBondContact O-N 3.36Å; L518-S521 VanDerWaalsContact O-N 3.12Å; L518-S521 PolarHBondContact O-OG 3.21Å; L519-S521 VanDerWaalsContact C-N 3.27Å; L519-S521 PolarHBondContact O-N 2.95Å; S521-G523 VanDerWaalsContact C-N 3.35Å
522F97Very high97.1Very high0 Ų035.5 Ų35.50%019%0.185CC..THydrogen-bonded Turntrans-882.3173.2-68.8-61.6000114L448 I450 V486 A494 V500 V502 L518 L519 D520 K524 A525 I527L448-F522 HydrophobicContact CD2-CE1 3.98Å; I450-F522 HydrophobicContact CG2-CZ 4Å; V486-F522 HydrophobicContact CB-CE1 4.29Å; V486-F522 HydrophobicContact CB-CZ 4.34Å; V486-F522 HydrophobicContact CG1-CD1 3.74Å; V486-F522 HydrophobicContact CG1-CE1 3.44Å; V486-F522 VanDerWaalsContact CG1-CE1 3.44Å; V486-F522 HydrophobicContact CG1-CG 4.4Å; V486-F522 HydrophobicContact CG1-CZ 3.88Å; V486-F522 HydrophobicContact CG2-CE1 3.78Å; V486-F522 HydrophobicContact CG2-CE2 4.22Å; V486-F522 HydrophobicContact CG2-CZ 3.45Å; V486-F522 VanDerWaalsContact CG2-CZ 3.45Å; A494-F522 CarbonylContact C-O 3.36Å; A494-F522 WeakPolarHBondContact CA-O 3.42Å; V500-F522 HydrophobicContact CB-CD1 4.11Å; V500-F522 HydrophobicContact CB-CE1 4.06Å; V500-F522 HydrophobicContact CB-CZ 4.42Å; V500-F522 HydrophobicContact CG1-CD1 3.78Å; V500-F522 HydrophobicContact CG1-CE1 3.92Å; V500-F522 HydrophobicContact CG2-CB 4.23Å; V500-F522 HydrophobicContact CG2-CD1 3.86Å; V500-F522 HydrophobicContact CG2-CD2 4.07Å; V500-F522 HydrophobicContact CG2-CE1 4.17Å; V500-F522 HydrophobicContact CG2-CE2 4.36Å; V500-F522 HydrophobicContact CG2-CG 3.8Å; V500-F522 HydrophobicContact CG2-CZ 4.39Å; V502-F522 HydrophobicContact CG2-CD2 4.37Å; V502-F522 HydrophobicContact CG2-CE2 3.61Å; V502-F522 HydrophobicContact CG2-CZ 4.21Å; L518-F522 HydrophobicContact CD1-CE2 3.99Å; L518-F522 HydrophobicContact CD1-CZ 4.5Å; L518-F522 HydrophobicContact CG-CE2 4.15Å; L518-F522 WeakPolarHBondContact O-CD2 3.39Å; L519-F522 PolarHBondContact O-N 3.35Å; D520-F522 PolarHBondContact O-N 2.68Å; F522-K524 PolarHBondContact O-N 3.03Å; F522-K524 VanDerWaalsContact O-N 3.08Å; F522-A525 HydrophobicContact CB-CB 4.34Å; F522-A525 VanDerWaalsContact O-CB 3.31Å; F522-A525 WeakPolarHBondContact O-CB 3.21Å; F522-A525 PolarHBondContact O-N 3.26Å; F522-I527 HydrophobicContact CB-CD1 3.81Å; F522-I527 HydrophobicContact CB-CG1 4.02Å; F522-I527 HydrophobicContact CD2-CD1 4.25Å; F522-I527 HydrophobicContact CD2-CG1 4.46Å; F522-I527 HydrophobicContact CG-CD1 4.46Å
523G94.9Very high97Very high42 Ų4232.8 Ų32.843%0.43317%0.172SC..THydrogen-bonded Turntrans53.8-114.9170.600000113.3D520 S521D520-G523 PolarHBondContact O-N 3.39Å; S521-G523 VanDerWaalsContact C-N 3.35Å
524K95.2Very high96.8Very high156 Ų15627 Ų2768%0.67814%0.141SC*.THydrogen-bonded Turntrans-100.711-176-64.3-175179.4179.20114.1A494 K496 F522A494-K524 PolarHBondContact O-N 2.98Å; K496-K524 WeakPolarHBondContact CA-O 3.33Å; K496-K524 HydrophobicContact CB-CB 4.11Å; F522-K524 PolarHBondContact O-N 3.03Å; F522-K524 VanDerWaalsContact O-N 3.08Å
525A96Very high96.2Very high0 Ų025.5 Ų25.50%014%0.137CC..SBendtrans-66.1155.4177.100000111.6Y493 Q498 V500 F522 N555Y493-A525 VanDerWaalsContact O-CB 3.27Å; Y493-A525 WeakPolarHBondContact O-CB 3.44Å; Q498-A525 HydrophobicContact CB-CB 4.35Å; V500-A525 HydrophobicContact CG1-CB 4.21Å; V500-A525 HydrophobicContact CG2-CB 4.26Å; F522-A525 HydrophobicContact CB-CB 4.34Å; F522-A525 VanDerWaalsContact O-CB 3.31Å; F522-A525 WeakPolarHBondContact O-CB 3.21Å; F522-A525 PolarHBondContact O-N 3.26Å; A525-N555 WeakPolarHBondContact O-CB 3.36Å; A525-N555 PolarHBondContact O-ND2 3.32Å
526D96.8Very high95.2Very high19 Ų1928.4 Ų28.410%0.10215%0.147CC..EExtended strand (participates in β ladder)trans-80.6113.5164.9-78.2-60.2000108.7Q498 K499 V500 Y528 H557 K602Q498-D526 PolarHBondContact O-N 3.03Å; K499-D526 WeakPolarHBondContact CA-O 3.49Å; V500-D526 PolarHBondContact N-O 2.75Å; D526-Y528 HydrophobicContact CB-CE2 4.06Å; D526-H557 IonicContact OD1-CD2 3.81Å; D526-H557 IonicContact OD1-CE1 3.72Å; D526-H557 IonicContact OD1-NE2 2.8Å; D526-H557 PolarHBondContact OD1-NE2 2.99Å; D526-K602 IonicContact OD1-NZ 2.62Å; D526-K602 PolarHBondContact OD1-NZ 3.42Å; D526-K602 IonicContact OD2-NZ 2.89Å; D526-K602 PolarHBondContact OD2-NZ 2.78Å
527I98Very high94.1Very high0 Ų031.6 Ų31.60%016%0.164CC..EExtended strand (participates in β ladder)trans-99.4123-175.3-53.6169.9000108.8V500 V502 L519 F522 N555 V556 H557V500-I527 HydrophobicContact CG2-CB 3.95Å; V500-I527 HydrophobicContact CG2-CG1 3.6Å; V500-I527 HydrophobicContact CG2-CG2 4.04Å; V500-I527 CarbonylContact O-C 3.57Å; V500-I527 WeakPolarHBondContact O-CA 3.41Å; V502-I527 HydrophobicContact CG2-CG2 3.95Å; L519-I527 HydrophobicContact CB-CD1 4.31Å; L519-I527 HydrophobicContact CD2-CD1 3.98Å; L519-I527 HydrophobicContact CD2-CG2 3.79Å; F522-I527 HydrophobicContact CB-CD1 3.81Å; F522-I527 HydrophobicContact CB-CG1 4.02Å; F522-I527 HydrophobicContact CD2-CD1 4.25Å; F522-I527 HydrophobicContact CD2-CG1 4.46Å; F522-I527 HydrophobicContact CG-CD1 4.46Å; I527-N555 PolarHBondContact N-O 2.74Å; I527-V556 HydrophobicContact CB-CG2 4.19Å; I527-V556 HydrophobicContact CD1-CG2 4.08Å; I527-V556 CarbonylContact O-C 3.48Å; I527-V556 WeakPolarHBondContact O-CA 3.27Å; I527-H557 PolarHBondContact O-N 2.95Å
528Y98.3Very high93.5Very high1 Ų128.5 Ų28.50%0.00415%0.149CC..EExtended strand (participates in β ladder)trans-103.5101.5175.8-62.1-87.3000108.3K499 V500 V501 V502 D526 H557 T594 M595 H598K499-Y528 HydrophobicContact CB-CD2 4.48Å; K499-Y528 HydrophobicContact CB-CE2 3.91Å; K499-Y528 HydrophobicContact CD-CE2 3.95Å; K499-Y528 HydrophobicContact CG-CE2 3.95Å; V500-Y528 PolarHBondContact O-N 3.05Å; V501-Y528 WeakPolarHBondContact CA-O 3.48Å; V502-Y528 PolarHBondContact N-O 3.28Å; D526-Y528 HydrophobicContact CB-CE2 4.06Å; Y528-H557 CarbonylContact C-O 3.51Å; Y528-H557 WeakPolarHBondContact CA-O 3.31Å; Y528-H557 HydrophobicContact CD1-CB 3.78Å; Y528-H557 HydrophobicContact CE1-CB 3.9Å; Y528-H557 AromaticContact CE1-CD2 3.88Å; Y528-T594 HydrophobicContact CD1-CG2 3.8Å; Y528-T594 HydrophobicContact CE1-CG2 4.12Å; Y528-M595 HydrophobicContact CD1-CG 3.86Å; Y528-M595 HydrophobicContact CD2-CG 3.78Å; Y528-M595 VanDerWaalsContact CE1-CA 3.41Å; Y528-M595 HydrophobicContact CE1-CB 4.17Å; Y528-M595 HydrophobicContact CE1-CG 3.82Å; Y528-M595 HydrophobicContact CE2-CB 4.45Å; Y528-M595 HydrophobicContact CE2-CG 3.74Å; Y528-M595 HydrophobicContact CG-CG 3.84Å; Y528-M595 PolarHBondContact OH-O 3.32Å; Y528-H598 HydrophobicContact CE1-CB 4.45Å
529L98.3Very high93.2Very high3 Ų329.7 Ų29.72%0.01615%0.154CC..EExtended strand (participates in β ladder)trans-98.4119-171.1-174.163.3000110V502 L515 I546 A549 V556 H557 V559V502-L529 HydrophobicContact CB-CD1 3.78Å; V502-L529 HydrophobicContact CG1-CD1 3.75Å; L515-L529 HydrophobicContact CD1-CD1 4.45Å; L515-L529 HydrophobicContact CD1-CD2 4.39Å; L529-I546 HydrophobicContact CD2-CB 4.24Å; L529-I546 HydrophobicContact CD2-CG1 4.26Å; L529-I546 HydrophobicContact CD2-CG2 3.86Å; L529-I546 HydrophobicContact CG-CG1 4.43Å; L529-I546 HydrophobicContact CG-CG2 3.89Å; L529-A549 HydrophobicContact CD2-CB 4.21Å; L529-V556 HydrophobicContact CB-CG1 3.87Å; L529-V556 HydrophobicContact CD2-CG1 4.11Å; L529-H557 PolarHBondContact N-O 3.09Å; L529-V559 PolarHBondContact O-N 3.05Å
530V98.6Very high92.9Very high0 Ų032 Ų320%018%0.179CC..EExtended strand (participates in β ladder)trans-89.1124.8-174.1-171.90000110.5V501 V502 E503 V559 W561 L587 I591V501-V530 HydrophobicContact CG1-CG2 3.92Å; V502-V530 PolarHBondContact O-N 2.98Å; E503-V530 HydrophobicContact CB-CB 4.27Å; E503-V530 HydrophobicContact CB-CG2 4.1Å; E503-V530 HydrophobicContact CG-CB 4.09Å; E503-V530 HydrophobicContact CG-CG1 4.19Å; E503-V530 HydrophobicContact CG-CG2 4.24Å; V530-V559 WeakPolarHBondContact CA-O 3.47Å; V530-V559 HydrophobicContact CB-CB 4.41Å; V530-V559 HydrophobicContact CG1-CG1 4.38Å; V530-V559 HydrophobicContact CG2-CB 4Å; V530-V559 HydrophobicContact CG2-CG1 4.18Å; V530-V559 HydrophobicContact CG2-CG2 4.44Å; V530-W561 HydrophobicContact CG1-CB 3.74Å; V530-W561 HydrophobicContact CG1-CG 4.47Å; V530-L587 HydrophobicContact CG1-CD1 4.01Å; V530-I591 HydrophobicContact CG2-CD1 4.42Å; V530-I591 HydrophobicContact CG2-CG1 4.38Å
531S98.4Very high92.7Very high0 Ų034.7 Ų34.70%018%0.182CC..PPolyproline II helixtrans-71.8147.7169.963.80000110.8N543 V559 D560 W561 Y562S531-N543 WeakPolarHBondContact CB-OD1 3.41Å; S531-V559 PolarHBondContact N-O 3.27Å; S531-D560 VanDerWaalsContact OG-C 3.27Å; S531-D560 VanDerWaalsContact OG-CA 3.27Å; S531-D560 WeakPolarHBondContact OG-CA 3.36Å; S531-D560 PolarHBondContact OG-OD1 3.46Å; S531-W561 WeakPolarHBondContact O-CB 3.35Å; S531-W561 PolarHBondContact OG-N 2.9Å; S531-Y562 WeakPolarHBondContact OG-CB 3.19Å; S531-Y562 PolarHBondContact OG-N 2.99Å
532I97.1Very high92.7Very high0 Ų033.6 Ų33.60%017%0.174CC..PPolyproline II helixtrans-97.4145.4-172.564.5172.9000111.1G505 V534 Y538 E539 I542 N543 I546 Y562G505-I532 VanDerWaalsContact O-CD1 3.29Å; G505-I532 WeakPolarHBondContact O-CD1 3.44Å; I532-V534 HydrophobicContact CD1-CG1 3.77Å; I532-V534 HydrophobicContact CG1-CG1 4.33Å; I532-Y538 HydrophobicContact CD1-CE2 4.28Å; I532-E539 HydrophobicContact CG1-CG 4.43Å; I532-I542 HydrophobicContact CD1-CB 3.87Å; I532-I542 HydrophobicContact CD1-CG2 3.58Å; I532-I542 HydrophobicContact CG1-CG2 4.21Å; I532-N543 WeakPolarHBondContact CG1-OD1 3.47Å; I532-N543 PolarHBondContact N-OD1 3.46Å; I532-N543 PolarHBondContact O-ND2 2.97Å; I532-N543 PolarHBondContact O-OD1 2.88Å; I532-I546 HydrophobicContact CG2-CD1 4.42Å; I532-Y562 WeakPolarHBondContact O-CB 3.28Å; I532-Y562 VanDerWaalsContact O-CD2 3.27Å; I532-Y562 WeakPolarHBondContact O-CD2 3.45Å
533R94.4Very high92.7Very high35 Ų3533.8 Ų33.813%0.13218%0.175CC..  trans-119.4110.4162176.4168.3-65.9-73.90.9106.9E539 Y562 S565 F572R533-E539 VanDerWaalsContact CA-OE2 3.29Å; R533-E539 WeakPolarHBondContact CA-OE2 3.42Å; R533-Y562 HydrophobicContact CB-CD2 4.22Å; R533-Y562 PolarHBondContact NE-O 3.01Å; R533-Y562 PolarHBondContact NH2-O 3.22Å; R533-S565 VanDerWaalsContact CD-OG 3.27Å; R533-S565 WeakPolarHBondContact CD-OG 3.39Å; R533-S565 PolarHBondContact NE-OG 2.74Å; R533-F572 HydrophobicContact CB-CE1 4.32Å; R533-F572 HydrophobicContact CB-CZ 4.1Å; R533-F572 HydrophobicContact CG-CE1 4.27Å; R533-F572 HydrophobicContact CG-CZ 3.95Å
534V90.1Very high92.8Very high1 Ų138 Ų381%0.00618%0.182CC..  trans-149.3131.6-176.468.50000108.6T506 I532 R536 Y538 E539 I577T506-V534 HydrophobicContact CG2-CB 4.2Å; T506-V534 HydrophobicContact CG2-CG2 4.01Å; I532-V534 HydrophobicContact CD1-CG1 3.77Å; I532-V534 HydrophobicContact CG1-CG1 4.33Å; V534-R536 HydrophobicContact CG1-CB 4.15Å; V534-R536 HydrophobicContact CG1-CG 4.18Å; V534-R536 HydrophobicContact CG2-CG 3.77Å; V534-R536 PolarHBondContact O-N 3.05Å; V534-Y538 HydrophobicContact CG1-CE2 4.02Å; V534-E539 HydrophobicContact CG1-CB 4.06Å; V534-E539 HydrophobicContact CG1-CG 4.17Å; V534-E539 PolarHBondContact N-OE2 3.47Å; V534-E539 WeakPolarHBondContact O-CB 3.31Å; V534-E539 VanDerWaalsContact O-CD 3.26Å; V534-E539 VanDerWaalsContact O-OE2 3.08Å; V534-I577 HydrophobicContact CG2-CG1 4.04Å
535P83.8Confident93Very high23 Ų2331.9 Ų31.915%0.14916%0.156CC..SBendtrans-7371.1175.629.9-36.4000110.6F140 Q330 G576F140-P535 HydrophobicContact CD1-CG 4.19Å; F140-P535 HydrophobicContact CE1-CB 3.9Å; F140-P535 HydrophobicContact CE1-CG 3.32Å; F140-P535 HydrophobicContact CZ-CB 4.22Å; F140-P535 HydrophobicContact CZ-CG 3.87Å; F140-P535 WeakPolarHBondContact CZ-O 3.36Å; Q330-P535 HydrophobicContact CB-CB 4.03Å; Q330-P535 HydrophobicContact CB-CG 3.77Å; P535-G576 VanDerWaalsContact CD-O 3.24Å; P535-G576 WeakPolarHBondContact CD-O 3.33Å
536R76.9Confident93.1Very high63 Ų6331.9 Ų31.924%0.23816%0.156CC..SBendtrans-134.3149.1175.5-63-67.6-171.1-65.7-0.2110V534 Y538 E539V534-R536 HydrophobicContact CG1-CB 4.15Å; V534-R536 HydrophobicContact CG1-CG 4.18Å; V534-R536 HydrophobicContact CG2-CG 3.77Å; V534-R536 PolarHBondContact O-N 3.05Å; R536-Y538 HydrophobicContact CB-CD1 3.75Å; R536-Y538 HydrophobicContact CB-CD2 4.21Å; R536-Y538 HydrophobicContact CB-CE1 3.49Å; R536-Y538 VanDerWaalsContact CB-CE1 3.49Å; R536-Y538 HydrophobicContact CB-CE2 3.95Å; R536-Y538 HydrophobicContact CB-CG 4.11Å; R536-Y538 HydrophobicContact CG-CD1 4.44Å; R536-Y538 HydrophobicContact CG-CE1 3.69Å; R536-Y538 HydrophobicContact CG-CE2 4.3Å; R536-Y538 PolarHBondContact O-N 3.25Å; R536-Y538 VanDerWaalsContact O-N 3.16Å; R536-E539 WeakPolarHBondContact O-CB 3.27Å; R536-E539 PolarHBondContact O-N 3.08Å; R536-E539 VanDerWaalsContact O-N 3.1Å
537D75.9Confident93.1Very high114 Ų11434.4 Ų34.461%0.6117%0.165SC*.THydrogen-bonded Turntrans-55.3-30.7177.466.4-23.4000113.3
538Y83.7Confident93.1Very high23 Ų2336.6 Ų36.69%0.0918%0.175CC..THydrogen-bonded Turntrans-83-9.6-179.962.6-108.9000115.2G505 T506 G508 A509 I532 V534 R536 G540 R541 I542G505-Y538 WeakPolarHBondContact O-CE2 3.27Å; T506-Y538 PolarHBondContact O-OH 3.43Å; T506-Y538 VanDerWaalsContact O-OH 3.06Å; G508-Y538 WeakPolarHBondContact CA-OH 3.4Å; G508-Y538 PolarHBondContact N-OH 2.81Å; A509-Y538 HydrophobicContact CB-CD1 3.97Å; A509-Y538 HydrophobicContact CB-CD2 4.11Å; A509-Y538 HydrophobicContact CB-CE1 4.43Å; A509-Y538 HydrophobicContact CB-CG 3.78Å; I532-Y538 HydrophobicContact CD1-CE2 4.28Å; V534-Y538 HydrophobicContact CG1-CE2 4.02Å; R536-Y538 HydrophobicContact CB-CD1 3.75Å; R536-Y538 HydrophobicContact CB-CD2 4.21Å; R536-Y538 HydrophobicContact CB-CE1 3.49Å; R536-Y538 VanDerWaalsContact CB-CE1 3.49Å; R536-Y538 HydrophobicContact CB-CE2 3.95Å; R536-Y538 HydrophobicContact CB-CG 4.11Å; R536-Y538 HydrophobicContact CG-CD1 4.44Å; R536-Y538 HydrophobicContact CG-CE1 3.69Å; R536-Y538 HydrophobicContact CG-CE2 4.3Å; R536-Y538 PolarHBondContact O-N 3.25Å; R536-Y538 VanDerWaalsContact O-N 3.16Å; Y538-G540 VanDerWaalsContact C-N 3.33Å; Y538-G540 PolarHBondContact O-N 3.41Å; Y538-R541 WeakPolarHBondContact O-CB 3.39Å; Y538-R541 PolarHBondContact O-N 3.33Å; Y538-I542 HydrophobicContact CD2-CG1 3.66Å; Y538-I542 HydrophobicContact CE2-CG1 4.47Å; Y538-I542 HydrophobicContact CG-CG1 4.38Å; Y538-I542 WeakPolarHBondContact O-CG1 3.33Å; Y538-I542 PolarHBondContact O-N 2.86Å
539E91Very high93.1Very high25 Ų2536.9 Ų36.912%0.11718%0.178CC..Hα-helixtrans-49.6-52.5-173.8-177.7-165.162.500111.6I532 R533 V534 R536 R541 I542 N543 Y562I532-E539 HydrophobicContact CG1-CG 4.43Å; R533-E539 VanDerWaalsContact CA-OE2 3.29Å; R533-E539 WeakPolarHBondContact CA-OE2 3.42Å; V534-E539 HydrophobicContact CG1-CB 4.06Å; V534-E539 HydrophobicContact CG1-CG 4.17Å; V534-E539 PolarHBondContact N-OE2 3.47Å; V534-E539 WeakPolarHBondContact O-CB 3.31Å; V534-E539 VanDerWaalsContact O-CD 3.26Å; V534-E539 VanDerWaalsContact O-OE2 3.08Å; R536-E539 WeakPolarHBondContact O-CB 3.27Å; R536-E539 PolarHBondContact O-N 3.08Å; R536-E539 VanDerWaalsContact O-N 3.1Å; E539-R541 PolarHBondContact O-N 3.03Å; E539-I542 PolarHBondContact O-N 2.85Å; E539-N543 WeakPolarHBondContact O-CB 3.43Å; E539-N543 PolarHBondContact O-N 3.01Å; E539-Y562 VanDerWaalsContact CD-CE2 3.5Å; E539-Y562 HydrophobicContact CG-CE2 4.36Å; E539-Y562 WeakPolarHBondContact OE1-CE2 2.99Å
540G92.4Very high93Very high51 Ų5137.6 Ų37.653%0.52618%0.184SC..Hα-helixtrans-62.1-39.4-179.800000113.4Y538 K544Y538-G540 VanDerWaalsContact C-N 3.33Å; Y538-G540 PolarHBondContact O-N 3.41Å; G540-K544 WeakPolarHBondContact O-CB 3.27Å; G540-K544 PolarHBondContact O-N 3.47Å
541R93.6Very high92.9Very high149 Ų14945.5 Ų45.556%0.56222%0.221SC*.Hα-helixtrans-65.7-43.7177.3-179.1179.365.7-145.1-1.9111.2Y538 E539 K544 L545Y538-R541 WeakPolarHBondContact O-CB 3.39Å; Y538-R541 PolarHBondContact O-N 3.33Å; E539-R541 PolarHBondContact O-N 3.03Å; R541-K544 WeakPolarHBondContact O-CB 3.16Å; R541-K544 PolarHBondContact O-N 2.98Å; R541-L545 PolarHBondContact O-N 3Å
542I95.4Very high92.8Very high0 Ų051.9 Ų51.90%025%0.249CC..Hα-helixtrans-70-44.7-178.7-64.6-53.5000111.4A509 F510 I532 Y538 E539 K544 L545 I546A509-I542 HydrophobicContact CB-CD1 4.07Å; A509-I542 HydrophobicContact CB-CG1 4.36Å; F510-I542 HydrophobicContact CD1-CD1 4.34Å; F510-I542 HydrophobicContact CD1-CG2 4.31Å; F510-I542 HydrophobicContact CD2-CD1 4.09Å; F510-I542 HydrophobicContact CE1-CD1 4.5Å; F510-I542 HydrophobicContact CE1-CG2 3.49Å; F510-I542 VanDerWaalsContact CE1-CG2 3.49Å; F510-I542 HydrophobicContact CE2-CD1 4.23Å; F510-I542 HydrophobicContact CE2-CG2 4Å; F510-I542 HydrophobicContact CG-CD1 4.16Å; F510-I542 HydrophobicContact CZ-CD1 4.47Å; F510-I542 HydrophobicContact CZ-CG2 3.33Å; F510-I542 VanDerWaalsContact N-CD1 3.35Å; F510-I542 VanDerWaalsContact O-CD1 3.23Å; F510-I542 WeakPolarHBondContact O-CD1 3.43Å; I532-I542 HydrophobicContact CD1-CB 3.87Å; I532-I542 HydrophobicContact CD1-CG2 3.58Å; I532-I542 HydrophobicContact CG1-CG2 4.21Å; Y538-I542 HydrophobicContact CD2-CG1 3.66Å; Y538-I542 HydrophobicContact CE2-CG1 4.47Å; Y538-I542 HydrophobicContact CG-CG1 4.38Å; Y538-I542 WeakPolarHBondContact O-CG1 3.33Å; Y538-I542 PolarHBondContact O-N 2.86Å; E539-I542 PolarHBondContact O-N 2.85Å; I542-K544 VanDerWaalsContact C-N 3.26Å; I542-K544 PolarHBondContact O-N 2.84Å; I542-L545 HydrophobicContact CD1-CD1 4.37Å; I542-L545 WeakPolarHBondContact O-CB 3.21Å; I542-L545 PolarHBondContact O-N 3.33Å; I542-I546 HydrophobicContact CG2-CD1 3.95Å; I542-I546 PolarHBondContact O-N 2.77Å
543N97.9Very high92.7Very high4 Ų454.4 Ų54.42%0.02126%0.259CS..Hα-helixtrans-59-38.7174.1-80.6-28.2000112S531 I532 E539 L545 I546 Y547 Y562S531-N543 WeakPolarHBondContact CB-OD1 3.41Å; I532-N543 WeakPolarHBondContact CG1-OD1 3.47Å; I532-N543 PolarHBondContact N-OD1 3.46Å; I532-N543 PolarHBondContact O-ND2 2.97Å; I532-N543 PolarHBondContact O-OD1 2.88Å; E539-N543 WeakPolarHBondContact O-CB 3.43Å; E539-N543 PolarHBondContact O-N 3.01Å; N543-L545 VanDerWaalsContact C-N 3.34Å; N543-L545 PolarHBondContact O-N 2.95Å; N543-I546 PolarHBondContact O-N 3.17Å; N543-Y547 HydrophobicContact CB-CD2 4.34Å; N543-Y547 HydrophobicContact CB-CE2 3.83Å; N543-Y547 WeakPolarHBondContact O-CD2 3.41Å; N543-Y547 PolarHBondContact O-N 2.93Å; N543-Y562 WeakPolarHBondContact ND2-CD2 3.29Å
544K97.7Very high92.7Very high132 Ų13258.5 Ų58.557%0.57429%0.293SS*.Hα-helixtrans-57.7-44172.7-175.2-179.3176.9-178.10112.5G540 R541 I542 Y547 E548G540-K544 WeakPolarHBondContact O-CB 3.27Å; G540-K544 PolarHBondContact O-N 3.47Å; R541-K544 WeakPolarHBondContact O-CB 3.16Å; R541-K544 PolarHBondContact O-N 2.98Å; I542-K544 VanDerWaalsContact C-N 3.26Å; I542-K544 PolarHBondContact O-N 2.84Å; K544-Y547 PolarHBondContact O-N 2.93Å; K544-E548 VanDerWaalsContact CE-OE1 3.31Å; K544-E548 WeakPolarHBondContact CE-OE1 3.46Å; K544-E548 WeakPolarHBondContact O-CB 3.46Å; K544-E548 WeakPolarHBondContact O-CG 3.49Å; K544-E548 PolarHBondContact O-N 3.07Å
545L97.9Very high93Very high26 Ų2660 Ų6014%0.13630%0.3CS..Hα-helixtrans-64.1-40.9176.9-64.7-179.6000112.1F510 K512 L515 R541 I542 N543 A549F510-L545 HydrophobicContact CD2-CD1 4.22Å; F510-L545 HydrophobicContact CE2-CB 4.36Å; F510-L545 HydrophobicContact CE2-CD1 4.21Å; K512-L545 HydrophobicContact CB-CD2 3.92Å; K512-L545 HydrophobicContact CD-CD2 4.28Å; K512-L545 HydrophobicContact CG-CD2 4.21Å; L515-L545 HydrophobicContact CD2-CB 4.06Å; R541-L545 PolarHBondContact O-N 3Å; I542-L545 HydrophobicContact CD1-CD1 4.37Å; I542-L545 WeakPolarHBondContact O-CB 3.21Å; I542-L545 PolarHBondContact O-N 3.33Å; N543-L545 VanDerWaalsContact C-N 3.34Å; N543-L545 PolarHBondContact O-N 2.95Å; L545-A549 WeakPolarHBondContact O-CB 3.1Å; L545-A549 PolarHBondContact O-N 3.48Å
546I98.2Very high93.7Very high0 Ų059.2 Ų59.20%030%0.295CS..Hα-helixtrans-62-48.1176.8-71.6166.6000110.9F510 L529 I532 I542 N543 A549 A550 L558F510-I546 HydrophobicContact CZ-CD1 4.2Å; F510-I546 HydrophobicContact CZ-CG1 4.11Å; L529-I546 HydrophobicContact CD2-CB 4.24Å; L529-I546 HydrophobicContact CD2-CG1 4.26Å; L529-I546 HydrophobicContact CD2-CG2 3.86Å; L529-I546 HydrophobicContact CG-CG1 4.43Å; L529-I546 HydrophobicContact CG-CG2 3.89Å; I532-I546 HydrophobicContact CG2-CD1 4.42Å; I542-I546 HydrophobicContact CG2-CD1 3.95Å; I542-I546 PolarHBondContact O-N 2.77Å; N543-I546 PolarHBondContact O-N 3.17Å; I546-A549 PolarHBondContact O-N 2.98Å; I546-A550 PolarHBondContact O-N 3.3Å; I546-A550 VanDerWaalsContact O-N 3.08Å; I546-L558 HydrophobicContact CG2-CD1 3.81Å
547Y98.3Very high94.7Very high73 Ų7356.9 Ų56.929%0.28629%0.287SS..Hα-helixtrans-62.4-46.1177.7-62.8-43.1000111.9N543 K544 A549 A550 E551 L558 D560N543-Y547 HydrophobicContact CB-CD2 4.34Å; N543-Y547 HydrophobicContact CB-CE2 3.83Å; N543-Y547 WeakPolarHBondContact O-CD2 3.41Å; N543-Y547 PolarHBondContact O-N 2.93Å; K544-Y547 PolarHBondContact O-N 2.93Å; Y547-A549 VanDerWaalsContact C-N 3.29Å; Y547-A549 PolarHBondContact O-N 3.49Å; Y547-A550 PolarHBondContact O-N 2.66Å; Y547-E551 PolarHBondContact O-N 3.05Å; Y547-L558 HydrophobicContact CD1-CD1 3.75Å; Y547-L558 HydrophobicContact CD1-CD2 3.61Å; Y547-L558 HydrophobicContact CD1-CG 4.34Å; Y547-L558 HydrophobicContact CE1-CD1 3.87Å; Y547-L558 HydrophobicContact CE1-CD2 3.71Å; Y547-L558 HydrophobicContact CE1-CG 4.37Å; Y547-D560 PolarHBondContact OH-OD1 2.83Å
548E97.9Very high95.7Very high45 Ų4554.1 Ų54.121%0.2127%0.272CS..Hα-helixtrans-60-37.3176-78.8-173.8-154.100112.6K512 K544 K552K512-E548 IonicContact NZ-OE2 3.2Å; K512-E548 PolarHBondContact NZ-OE2 3.31Å; K544-E548 VanDerWaalsContact CE-OE1 3.31Å; K544-E548 WeakPolarHBondContact CE-OE1 3.46Å; K544-E548 WeakPolarHBondContact O-CB 3.46Å; K544-E548 WeakPolarHBondContact O-CG 3.49Å; K544-E548 PolarHBondContact O-N 3.07Å; E548-K552 WeakPolarHBondContact O-CB 3.15Å; E548-K552 WeakPolarHBondContact O-CD 3.35Å; E548-K552 VanDerWaalsContact O-CG 3.26Å; E548-K552 WeakPolarHBondContact O-CG 3.07Å; E548-K552 PolarHBondContact O-N 2.84Å; E548-K552 VanDerWaalsContact O-N 3.13Å; E548-K552 IonicContact OE2-NZ 2.85Å; E548-K552 PolarHBondContact OE2-NZ 3.26Å; E548-K552 VanDerWaalsContact OE2-NZ 3.13Å
549A97.5Very high96.4Very high7 Ų753 Ų536%0.05827%0.268CS..Hα-helixtrans-69.9-40.9179.900000112.2L515 L519 L529 L545 I546 Y547 K552 R553L515-A549 HydrophobicContact CD2-CB 3.87Å; L519-A549 HydrophobicContact CD1-CB 3.76Å; L529-A549 HydrophobicContact CD2-CB 4.21Å; L545-A549 WeakPolarHBondContact O-CB 3.1Å; L545-A549 PolarHBondContact O-N 3.48Å; I546-A549 PolarHBondContact O-N 2.98Å; Y547-A549 VanDerWaalsContact C-N 3.29Å; Y547-A549 PolarHBondContact O-N 3.49Å; A549-K552 PolarHBondContact O-N 2.93Å; A549-R553 WeakPolarHBondContact O-CB 3.25Å; A549-R553 PolarHBondContact O-N 2.62Å
550A96.9Very high96.7Very high19 Ų1953.7 Ų53.716%0.15727%0.272CS..Hα-helixtrans-66.9-35.4175.900000112.5I546 Y547 V556 L558I546-A550 PolarHBondContact O-N 3.3Å; I546-A550 VanDerWaalsContact O-N 3.08Å; Y547-A550 PolarHBondContact O-N 2.66Å; A550-V556 HydrophobicContact CB-CG1 4.02Å; A550-L558 HydrophobicContact CB-CB 3.92Å
551E96.2Very high97Very high165 Ų16551.8 Ų51.877%0.77125%0.249SC*.Hα-helixtrans-70.2-38.7176.7-171-179.9-170.400112.4Y547Y547-E551 PolarHBondContact O-N 3.05Å
552K95.6Very high97.2Very high134 Ų13448.4 Ų48.458%0.58324%0.237SC*.Hα-helixtrans-84.4-20.9-173.4-71.7170.8-175.1166.40114.6E548 A549E548-K552 WeakPolarHBondContact O-CB 3.15Å; E548-K552 WeakPolarHBondContact O-CD 3.35Å; E548-K552 VanDerWaalsContact O-CG 3.26Å; E548-K552 WeakPolarHBondContact O-CG 3.07Å; E548-K552 PolarHBondContact O-N 2.84Å; E548-K552 VanDerWaalsContact O-N 3.13Å; E548-K552 IonicContact OE2-NZ 2.85Å; E548-K552 PolarHBondContact OE2-NZ 3.26Å; E548-K552 VanDerWaalsContact OE2-NZ 3.13Å; A549-K552 PolarHBondContact O-N 2.93Å
553R96.2Very high97.3Very high54 Ų5455.7 Ų55.720%0.20427%0.268CS..  trans-118.3114.1-172.2-65.6171.3173.9-94.75.8110.2N516 D520 A549 N555 V556N516-R553 PolarHBondContact OD1-NH2 3.11Å; N516-R553 VanDerWaalsContact OD1-NH2 3.08Å; D520-R553 IonicContact OD1-CZ 3.19Å; D520-R553 IonicContact OD1-NH1 3.98Å; D520-R553 PolarHBondContact OD1-NH1 3.4Å; D520-R553 IonicContact OD1-NH2 3.17Å; D520-R553 PolarHBondContact OD1-NH2 3.4Å; D520-R553 IonicContact OD2-NH2 2.74Å; A549-R553 WeakPolarHBondContact O-CB 3.25Å; A549-R553 PolarHBondContact O-N 2.62Å; R553-N555 PolarHBondContact O-N 3.12Å; R553-N555 VanDerWaalsContact O-N 3.1Å; R553-V556 HydrophobicContact CB-CB 3.96Å; R553-V556 HydrophobicContact CB-CG2 3.52Å; R553-V556 HydrophobicContact CG-CG2 4.29Å; R553-V556 PolarHBondContact O-N 3.16Å
554S94.7Very high97.2Very high121 Ų12157.5 Ų57.585%0.84628%0.284SS*.THydrogen-bonded Turntrans-64.6-16.6-177.258.60000115
555N95.8Very high97.1Very high32 Ų3251.2 Ų51.217%0.17126%0.257CS..THydrogen-bonded Turntrans-97.64.8174.473-51.7000113.5A525 I527 R553A525-N555 WeakPolarHBondContact O-CB 3.36Å; A525-N555 PolarHBondContact O-ND2 3.32Å; I527-N555 PolarHBondContact N-O 2.74Å; R553-N555 PolarHBondContact O-N 3.12Å; R553-N555 VanDerWaalsContact O-N 3.1Å
556V97.5Very high96.9Very high7 Ų752.5 Ų52.54%0.04227%0.271CS..EExtended strand (participates in β ladder)trans-107.4120.6176-178.60000109.3L519 I527 L529 A550 R553L519-V556 HydrophobicContact CD1-CG2 4.42Å; L519-V556 HydrophobicContact CD2-CG2 4.4Å; I527-V556 HydrophobicContact CB-CG2 4.19Å; I527-V556 HydrophobicContact CD1-CG2 4.08Å; I527-V556 CarbonylContact O-C 3.48Å; I527-V556 WeakPolarHBondContact O-CA 3.27Å; L529-V556 HydrophobicContact CB-CG1 3.87Å; L529-V556 HydrophobicContact CD2-CG1 4.11Å; A550-V556 HydrophobicContact CB-CG1 4.02Å; R553-V556 HydrophobicContact CB-CB 3.96Å; R553-V556 HydrophobicContact CB-CG2 3.52Å; R553-V556 HydrophobicContact CG-CG2 4.29Å; R553-V556 PolarHBondContact O-N 3.16Å
557H97.6Very high96.6Very high13 Ų1355.7 Ų55.76%0.0630%0.304CS..EExtended strand (participates in β ladder)trans-112.6121.9-177.7-49.7-69000108.8D526 I527 Y528 L529 V559 T594 H598D526-H557 IonicContact OD1-CD2 3.81Å; D526-H557 IonicContact OD1-CE1 3.72Å; D526-H557 IonicContact OD1-NE2 2.8Å; D526-H557 PolarHBondContact OD1-NE2 2.99Å; I527-H557 PolarHBondContact O-N 2.95Å; Y528-H557 CarbonylContact C-O 3.51Å; Y528-H557 WeakPolarHBondContact CA-O 3.31Å; Y528-H557 HydrophobicContact CD1-CB 3.78Å; Y528-H557 HydrophobicContact CE1-CB 3.9Å; Y528-H557 AromaticContact CE1-CD2 3.88Å; L529-H557 PolarHBondContact N-O 3.09Å; H557-V559 PolarHBondContact O-N 2.88Å; H557-T594 HydrophobicContact CB-CG2 4.39Å; H557-H598 AromaticContact CE1-CG 3.97Å; H557-H598 AromaticContact CE1-ND1 3.58Å; H557-H598 AromaticContact CG-CD2 3.99Å; H557-H598 AromaticContact CG-CG 3.85Å; H557-H598 AromaticContact CG-ND1 3.94Å; H557-H598 AromaticContact ND1-CD2 3.86Å; H557-H598 AromaticContact ND1-CE1 3.28Å; H557-H598 PolarHBondContact ND1-CE1 3.44Å; H557-H598 VanDerWaalsContact ND1-CE1 3.28Å; H557-H598 AromaticContact ND1-CG 3.46Å; H557-H598 AromaticContact ND1-ND1 3.09Å; H557-H598 PolarHBondContact ND1-ND1 3.41Å; H557-H598 AromaticContact ND1-NE2 3.78Å
558L98.1Very high96.4Very high56 Ų5655.1 Ų55.129%0.29330%0.304SS..EExtended strand (participates in β ladder)trans-71.9129-178-179.967.1000111.4I546 Y547 A550 D560I546-L558 HydrophobicContact CG2-CD1 3.81Å; Y547-L558 HydrophobicContact CD1-CD1 3.75Å; Y547-L558 HydrophobicContact CD1-CD2 3.61Å; Y547-L558 HydrophobicContact CD1-CG 4.34Å; Y547-L558 HydrophobicContact CE1-CD1 3.87Å; Y547-L558 HydrophobicContact CE1-CD2 3.71Å; Y547-L558 HydrophobicContact CE1-CG 4.37Å; A550-L558 HydrophobicContact CB-CB 3.92Å; L558-D560 HydrophobicContact CD2-CB 3.94Å; L558-D560 HydrophobicContact CG-CB 4.03Å
559V98.4Very high96Very high0 Ų055.6 Ų55.60%031%0.311CS..EExtended strand (participates in β ladder)trans-104.394.2163.7-178.20000106.8L529 V530 S531 H557 W561 L590 I591 T594L529-V559 PolarHBondContact O-N 3.05Å; V530-V559 WeakPolarHBondContact CA-O 3.47Å; V530-V559 HydrophobicContact CB-CB 4.41Å; V530-V559 HydrophobicContact CG1-CG1 4.38Å; V530-V559 HydrophobicContact CG2-CB 4Å; V530-V559 HydrophobicContact CG2-CG1 4.18Å; V530-V559 HydrophobicContact CG2-CG2 4.44Å; S531-V559 PolarHBondContact N-O 3.27Å; H557-V559 PolarHBondContact O-N 2.88Å; V559-W561 PolarHBondContact O-N 3.45Å; V559-L590 HydrophobicContact CG1-CD2 3.81Å; V559-L590 HydrophobicContact CG1-CG 3.78Å; V559-I591 HydrophobicContact CG1-CG1 3.82Å; V559-T594 HydrophobicContact CG2-CG2 4.02Å
560D97.8Very high95.7Very high40 Ų4060.2 Ų60.221%0.21433%0.331CS..  trans-80.866.3-170-163.35.8000113S531 Y547 L558 Y562 K563 A564S531-D560 VanDerWaalsContact OG-C 3.27Å; S531-D560 VanDerWaalsContact OG-CA 3.27Å; S531-D560 WeakPolarHBondContact OG-CA 3.36Å; S531-D560 PolarHBondContact OG-OD1 3.46Å; Y547-D560 PolarHBondContact OH-OD1 2.83Å; L558-D560 HydrophobicContact CD2-CB 3.94Å; L558-D560 HydrophobicContact CG-CB 4.03Å; D560-Y562 VanDerWaalsContact C-N 3.33Å; D560-Y562 PolarHBondContact O-N 3.02Å; D560-K563 HydrophobicContact CB-CB 4.38Å; D560-K563 VanDerWaalsContact CG-CB 3.45Å; D560-K563 PolarHBondContact O-N 2.75Å; D560-K563 PolarHBondContact OD1-N 3Å; D560-K563 WeakPolarHBondContact OD2-CB 3.19Å; D560-A564 WeakPolarHBondContact O-CB 3.32Å; D560-A564 PolarHBondContact O-N 3.37Å
561W98.2Very high95.7Very high10 Ų1061.2 Ų61.24%0.03833%0.331CS..Hα-helixtrans-63.7-35.6179.1172.5-116.4000112.6V530 S531 V559 K563 A564 S565 Y571 F572 L579 A586 L587 L590V530-W561 HydrophobicContact CG1-CB 3.74Å; V530-W561 HydrophobicContact CG1-CG 4.47Å; S531-W561 WeakPolarHBondContact O-CB 3.35Å; S531-W561 PolarHBondContact OG-N 2.9Å; V559-W561 PolarHBondContact O-N 3.45Å; W561-K563 VanDerWaalsContact C-N 3.35Å; W561-K563 PolarHBondContact O-N 3.29Å; W561-A564 HydrophobicContact CE3-CB 4.47Å; W561-A564 PolarHBondContact O-N 2.52Å; W561-S565 VanDerWaalsContact O-CB 3.26Å; W561-S565 WeakPolarHBondContact O-CB 3.38Å; W561-S565 PolarHBondContact O-N 3.23Å; W561-S565 PolarHBondContact O-OG 2.92Å; W561-Y571 AromaticContact CH2-CD2 3.45Å; W561-Y571 HydrophobicContact CH2-CD2 3.45Å; W561-Y571 VanDerWaalsContact CH2-CD2 3.45Å; W561-Y571 HydrophobicContact CH2-CE2 4.08Å; W561-Y571 HydrophobicContact CH2-CG 4.2Å; W561-Y571 HydrophobicContact CZ2-CD2 4.24Å; W561-Y571 HydrophobicContact CZ3-CD2 4.13Å; W561-Y571 HydrophobicContact CZ3-CE2 4.34Å; W561-F572 HydrophobicContact CZ2-CE1 4.19Å; W561-F572 HydrophobicContact CZ2-CE2 4.48Å; W561-F572 AromaticContact CZ2-CZ 3.74Å; W561-F572 HydrophobicContact CZ2-CZ 3.74Å; W561-F572 AromaticContact NE1-CZ 3.96Å; W561-L579 HydrophobicContact CZ2-CD1 4.4Å; W561-L579 HydrophobicContact CZ2-CD2 3.8Å; W561-A586 HydrophobicContact CH2-CB 4.23Å; W561-A586 HydrophobicContact CZ3-CB 4.08Å; W561-L587 HydrophobicContact CB-CD1 3.94Å; W561-L587 HydrophobicContact CD2-CB 4.32Å; W561-L587 HydrophobicContact CD2-CD1 3.84Å; W561-L587 HydrophobicContact CD2-CG 4.47Å; W561-L587 HydrophobicContact CE3-CB 4.03Å; W561-L587 HydrophobicContact CE3-CD1 3.88Å; W561-L587 HydrophobicContact CG-CD1 3.88Å; W561-L587 HydrophobicContact CH2-CB 4.11Å; W561-L587 HydrophobicContact CZ2-CB 4.42Å; W561-L587 HydrophobicContact CZ3-CB 3.93Å; W561-L590 HydrophobicContact CB-CD2 4.26Å; W561-L590 HydrophobicContact CE3-CD2 4.08Å
562Y97.1Very high95.5Very high79 Ų7953.7 Ų53.731%0.3130%0.296SS..Hα-helixtrans-52.1-53.8172.7179.6-105.2000110.9S531 I532 R533 E539 N543 D560 S565S531-Y562 WeakPolarHBondContact OG-CB 3.19Å; S531-Y562 PolarHBondContact OG-N 2.99Å; I532-Y562 WeakPolarHBondContact O-CB 3.28Å; I532-Y562 VanDerWaalsContact O-CD2 3.27Å; I532-Y562 WeakPolarHBondContact O-CD2 3.45Å; R533-Y562 HydrophobicContact CB-CD2 4.22Å; R533-Y562 PolarHBondContact NE-O 3.01Å; R533-Y562 PolarHBondContact NH2-O 3.22Å; E539-Y562 VanDerWaalsContact CD-CE2 3.5Å; E539-Y562 HydrophobicContact CG-CE2 4.36Å; E539-Y562 WeakPolarHBondContact OE1-CE2 2.99Å; N543-Y562 WeakPolarHBondContact ND2-CD2 3.29Å; D560-Y562 VanDerWaalsContact C-N 3.33Å; D560-Y562 PolarHBondContact O-N 3.02Å; Y562-S565 PolarHBondContact O-OG 2.94Å
563K96.9Very high95Very high152 Ų15248 Ų4866%0.66127%0.273SS*.Hα-helixtrans-68.8-42.7178.6-172175.7-179175.70112.7D560 W561 S565 A566D560-K563 HydrophobicContact CB-CB 4.38Å; D560-K563 VanDerWaalsContact CG-CB 3.45Å; D560-K563 PolarHBondContact O-N 2.75Å; D560-K563 PolarHBondContact OD1-N 3Å; D560-K563 WeakPolarHBondContact OD2-CB 3.19Å; W561-K563 VanDerWaalsContact C-N 3.35Å; W561-K563 PolarHBondContact O-N 3.29Å; K563-S565 VanDerWaalsContact C-N 3.31Å; K563-S565 PolarHBondContact O-N 2.98Å; K563-A566 VanDerWaalsContact O-CB 3.28Å; K563-A566 WeakPolarHBondContact O-CB 3.48Å; K563-A566 PolarHBondContact O-N 3Å
564A97.1Very high94.2Very high43 Ų4349.9 Ų49.936%0.35528%0.281SS..Hα-helixtrans-68.3-28.3-175.300000113.8D560 W561 L590D560-A564 WeakPolarHBondContact O-CB 3.32Å; D560-A564 PolarHBondContact O-N 3.37Å; W561-A564 HydrophobicContact CE3-CB 4.47Å; W561-A564 PolarHBondContact O-N 2.52Å; A564-L590 HydrophobicContact CB-CD1 4.47Å; A564-L590 HydrophobicContact CB-CD2 3.69Å
565S96.3Very high93.6Very high0 Ų044.9 Ų44.90%025%0.245CC..THydrogen-bonded Turntrans-88.3-3.517760.20000113.6R533 W561 Y562 K563 G567 H568R533-S565 VanDerWaalsContact CD-OG 3.27Å; R533-S565 WeakPolarHBondContact CD-OG 3.39Å; R533-S565 PolarHBondContact NE-OG 2.74Å; W561-S565 VanDerWaalsContact O-CB 3.26Å; W561-S565 WeakPolarHBondContact O-CB 3.38Å; W561-S565 PolarHBondContact O-N 3.23Å; W561-S565 PolarHBondContact O-OG 2.92Å; Y562-S565 PolarHBondContact O-OG 2.94Å; K563-S565 VanDerWaalsContact C-N 3.31Å; K563-S565 PolarHBondContact O-N 2.98Å; S565-G567 PolarHBondContact O-N 3.34Å; S565-H568 PolarHBondContact O-N 3.28Å
566A92.8Very high93Very high53 Ų5343.4 Ų43.444%0.43824%0.237SC..THydrogen-bonded Turntrans-63.7128.3176.500000110.4K563 H568K563-A566 VanDerWaalsContact O-CB 3.28Å; K563-A566 WeakPolarHBondContact O-CB 3.48Å; K563-A566 PolarHBondContact O-N 3Å; A566-H568 VanDerWaalsContact C-N 3.33Å
567G91.1Very high92.4Very high66 Ų6643.7 Ų43.768%0.6824%0.239SC*.THydrogen-bonded Turntrans82.68-177.700000114.7S565 P569S565-G567 PolarHBondContact O-N 3.34Å; G567-P569 WeakPolarHBondContact O-CD 3.31Å
568H94Very high91.8Very high62 Ų6245.8 Ų45.829%0.28725%0.248SC..  trans-120.266.5177.5-68.7-73.3000111.9S565 A566 E570 Y571S565-H568 PolarHBondContact O-N 3.28Å; A566-H568 VanDerWaalsContact C-N 3.33Å; H568-E570 VanDerWaalsContact C-OE2 3.25Å; H568-E570 VanDerWaalsContact CA-OE2 3.27Å; H568-E570 WeakPolarHBondContact CA-OE2 3.3Å; H568-E570 IonicContact CE1-OE1 3.41Å; H568-E570 IonicContact CG-OE1 3.19Å; H568-E570 IonicContact ND1-OE1 2.72Å; H568-E570 PolarHBondContact ND1-OE1 3.13Å; H568-E570 PolarHBondContact O-N 3.04Å; H568-Y571 HydrophobicContact CB-CD1 4.04Å; H568-Y571 HydrophobicContact CB-CD2 3.31Å; H568-Y571 HydrophobicContact CB-CE1 4.06Å; H568-Y571 HydrophobicContact CB-CE2 3.32Å; H568-Y571 HydrophobicContact CB-CG 3.68Å; H568-Y571 AromaticContact CD2-CE2 3.71Å; H568-Y571 AromaticContact CD2-CZ 3.99Å; H568-Y571 AromaticContact CG-CD2 3.96Å; H568-Y571 AromaticContact CG-CE2 3.4Å; H568-Y571 VanDerWaalsContact CG-CE2 3.4Å; H568-Y571 AromaticContact CG-CZ 3.5Å; H568-Y571 VanDerWaalsContact CG-CZ 3.5Å; H568-Y571 AromaticContact ND1-CZ 3.59Å; H568-Y571 PolarHBondContact ND1-OH 3.45Å; H568-Y571 WeakPolarHBondContact O-CB 3.47Å; H568-Y571 PolarHBondContact O-N 2.96Å; H568-Y571 VanDerWaalsContact O-N 3.13Å
569P89.7Confident91.5Very high55 Ų5543.9 Ų43.936%0.35724%0.238SC..G310 helixtrans-59.7-30.1176.426.9-35.1000111.9V329 Q332 G567 Y571 F572V329-P569 HydrophobicContact CB-CB 4.45Å; V329-P569 HydrophobicContact CG2-CB 4.35Å; V329-P569 WeakPolarHBondContact CG2-O 3.44Å; Q332-P569 HydrophobicContact CB-CB 4.47Å; G567-P569 WeakPolarHBondContact O-CD 3.31Å; P569-Y571 PolarHBondContact O-N 3.18Å; P569-F572 PolarHBondContact O-N 3.27Å
570E92.4Very high91.2Very high103 Ų10348.5 Ų48.548%0.48126%0.26SS..G310 helixtrans-62.9-8.5176.674.6-77.1-17700114.6H568 F572H568-E570 VanDerWaalsContact C-OE2 3.25Å; H568-E570 VanDerWaalsContact CA-OE2 3.27Å; H568-E570 WeakPolarHBondContact CA-OE2 3.3Å; H568-E570 IonicContact CE1-OE1 3.41Å; H568-E570 IonicContact CG-OE1 3.19Å; H568-E570 IonicContact ND1-OE1 2.72Å; H568-E570 PolarHBondContact ND1-OE1 3.13Å; H568-E570 PolarHBondContact O-N 3.04Å; E570-F572 VanDerWaalsContact C-N 3.34Å
571Y95.7Very high90.9Very high41 Ų4153.9 Ų53.916%0.16128%0.278CS..G310 helixtrans-79.6-16.2173.2-69.7-6.3000113.6W561 H568 P569 L579 E580 A582 G583 A586W561-Y571 AromaticContact CH2-CD2 3.45Å; W561-Y571 HydrophobicContact CH2-CD2 3.45Å; W561-Y571 VanDerWaalsContact CH2-CD2 3.45Å; W561-Y571 HydrophobicContact CH2-CE2 4.08Å; W561-Y571 HydrophobicContact CH2-CG 4.2Å; W561-Y571 HydrophobicContact CZ2-CD2 4.24Å; W561-Y571 HydrophobicContact CZ3-CD2 4.13Å; W561-Y571 HydrophobicContact CZ3-CE2 4.34Å; H568-Y571 HydrophobicContact CB-CD1 4.04Å; H568-Y571 HydrophobicContact CB-CD2 3.31Å; H568-Y571 HydrophobicContact CB-CE1 4.06Å; H568-Y571 HydrophobicContact CB-CE2 3.32Å; H568-Y571 HydrophobicContact CB-CG 3.68Å; H568-Y571 AromaticContact CD2-CE2 3.71Å; H568-Y571 AromaticContact CD2-CZ 3.99Å; H568-Y571 AromaticContact CG-CD2 3.96Å; H568-Y571 AromaticContact CG-CE2 3.4Å; H568-Y571 VanDerWaalsContact CG-CE2 3.4Å; H568-Y571 AromaticContact CG-CZ 3.5Å; H568-Y571 VanDerWaalsContact CG-CZ 3.5Å; H568-Y571 AromaticContact ND1-CZ 3.59Å; H568-Y571 PolarHBondContact ND1-OH 3.45Å; H568-Y571 WeakPolarHBondContact O-CB 3.47Å; H568-Y571 PolarHBondContact O-N 2.96Å; H568-Y571 VanDerWaalsContact O-N 3.13Å; P569-Y571 PolarHBondContact O-N 3.18Å; Y571-L579 CarbonylContact O-C 3.34Å; Y571-L579 WeakPolarHBondContact O-CA 3.37Å; Y571-E580 PolarHBondContact O-N 3.33Å; Y571-A582 HydrophobicContact CD1-CB 4.15Å; Y571-A582 HydrophobicContact CE1-CB 4.41Å; Y571-G583 VanDerWaalsContact CB-CA 3.5Å; Y571-A586 HydrophobicContact CD2-CB 4.2Å; Y571-A586 HydrophobicContact CE1-CB 4.15Å; Y571-A586 HydrophobicContact CE2-CB 3.66Å
572F92.1Very high90.7Very high7 Ų755.8 Ų55.83%0.03130%0.296CS..BIsolated β-bridgetrans-120.2144.5-170.9-57.1-89.9000110.7V329 R533 W561 P569 E570 H578 L579V329-F572 HydrophobicContact CG1-CB 3.57Å; V329-F572 HydrophobicContact CG1-CG 4.24Å; V329-F572 HydrophobicContact CG2-CB 4.3Å; V329-F572 WeakPolarHBondContact CG2-O 3.46Å; R533-F572 HydrophobicContact CB-CE1 4.32Å; R533-F572 HydrophobicContact CB-CZ 4.1Å; R533-F572 HydrophobicContact CG-CE1 4.27Å; R533-F572 HydrophobicContact CG-CZ 3.95Å; W561-F572 HydrophobicContact CZ2-CE1 4.19Å; W561-F572 HydrophobicContact CZ2-CE2 4.48Å; W561-F572 AromaticContact CZ2-CZ 3.74Å; W561-F572 HydrophobicContact CZ2-CZ 3.74Å; W561-F572 AromaticContact NE1-CZ 3.96Å; P569-F572 PolarHBondContact O-N 3.27Å; E570-F572 VanDerWaalsContact C-N 3.34Å; F572-H578 CarbonylContact C-O 3.59Å; F572-H578 WeakPolarHBondContact CA-O 2.77Å; F572-L579 HydrophobicContact CD1-CD2 3.68Å; F572-L579 HydrophobicContact CE1-CD2 3.6Å; F572-L579 HydrophobicContact CG-CD2 4.49Å; F572-L579 HydrophobicContact CZ-CD2 4.35Å
573A85.8Confident90.6Very high13 Ų1352 Ų5211%0.10728%0.281CS..  trans-64.9169.616500000109.9D575 G576 H578 E580A573-D575 PolarHBondContact O-N 3.08Å; A573-G576 PolarHBondContact O-N 2.73Å; A573-H578 HydrophobicContact CB-CB 3.96Å; A573-H578 PolarHBondContact N-O 2.73Å; A573-E580 WeakPolarHBondContact CA-OE1 3.45Å
574Y79.7Confident90.5Very high95 Ų9545 Ų4537%0.37325%0.251SS..THydrogen-bonded Turntrans-54.3-27.9-177.872.3-91.9000113.8I142 Q330 G576I142-Y574 HydrophobicContact CD1-CD2 4.48Å; I142-Y574 HydrophobicContact CD1-CE2 3.99Å; I142-Y574 HydrophobicContact CG1-CE2 4.11Å; Q330-Y574 WeakPolarHBondContact CG-O 3.47Å; Q330-Y574 PolarHBondContact N-O 3.48Å; Q330-Y574 VanDerWaalsContact N-O 3.11Å; Y574-G576 PolarHBondContact O-N 2.95Å
575D80.7Confident90.4Very high16 Ų1648.5 Ų48.59%0.08626%0.258CS..THydrogen-bonded Turntrans-75.6-8.8179.367.33.5000114.3F140 A573 I577 H578F140-D575 HydrophobicContact CB-CB 4.1Å; F140-D575 HydrophobicContact CD1-CB 4.35Å; F140-D575 WeakPolarHBondContact CD1-O 3.31Å; F140-D575 HydrophobicContact CG-CB 4.49Å; A573-D575 PolarHBondContact O-N 3.08Å; D575-I577 PolarHBondContact O-N 3.33Å; D575-I577 PolarHBondContact OD1-N 3.04Å; D575-H578 PolarHBondContact OD1-N 3.4Å; D575-H578 IonicContact OD1-ND1 3.04Å; D575-H578 IonicContact OD2-CE1 3.59Å; D575-H578 PolarHBondContact OD2-CE1 3.39Å; D575-H578 IonicContact OD2-CG 2.82Å; D575-H578 IonicContact OD2-ND1 2.72Å; D575-H578 PolarHBondContact OD2-ND1 2.98Å
576G84.4Confident90.5Very high1 Ų149.5 Ų49.51%0.0127%0.267CS..SBendtrans68.413.9-17800000114.3P535 A573 Y574P535-G576 VanDerWaalsContact CD-O 3.24Å; P535-G576 WeakPolarHBondContact CD-O 3.33Å; A573-G576 PolarHBondContact O-N 2.73Å; Y574-G576 PolarHBondContact O-N 2.95Å
577I84Confident90.8Very high13 Ų1347 Ų477%0.06725%0.246CC..SBendtrans-118.6-57.1-176.8-60.8171000110.1F140 T506 V534 D575F140-I577 HydrophobicContact CD2-CD1 4.43Å; F140-I577 HydrophobicContact CG-CD1 4.39Å; T506-I577 HydrophobicContact CG2-CG2 3.76Å; V534-I577 HydrophobicContact CG2-CG1 4.04Å; D575-I577 PolarHBondContact O-N 3.33Å; D575-I577 PolarHBondContact OD1-N 3.04Å
578H86.3Confident91.1Very high56 Ų5643.9 Ų43.926%0.25921%0.214SC..SBendtrans-72140.8-178.6-68.687.3000109.7D457 F572 A573 D575D457-H578 IonicContact OD1-CD2 3.25Å; D457-H578 WeakPolarHBondContact OD2-CA 3.47Å; D457-H578 IonicContact OD2-CD2 2.71Å; F572-H578 CarbonylContact C-O 3.59Å; F572-H578 WeakPolarHBondContact CA-O 2.77Å; A573-H578 HydrophobicContact CB-CB 3.96Å; A573-H578 PolarHBondContact N-O 2.73Å; D575-H578 PolarHBondContact OD1-N 3.4Å; D575-H578 IonicContact OD1-ND1 3.04Å; D575-H578 IonicContact OD2-CE1 3.59Å; D575-H578 PolarHBondContact OD2-CE1 3.39Å; D575-H578 IonicContact OD2-CG 2.82Å; D575-H578 IonicContact OD2-ND1 2.72Å; D575-H578 PolarHBondContact OD2-ND1 2.98Å
579L91.4Very high91.2Very high16 Ų1643.8 Ų43.88%0.08422%0.215CC..BIsolated β-bridgetrans-86.3130.8175.9-62.7-175.3000110.7V454 D457 I458 W561 Y571 F572 L587V454-L579 HydrophobicContact CG1-CD1 3.82Å; V454-L579 HydrophobicContact CG1-CG 4.35Å; D457-L579 HydrophobicContact CB-CB 4.21Å; D457-L579 PolarHBondContact OD2-N 2.97Å; I458-L579 HydrophobicContact CG2-CD1 3.96Å; W561-L579 HydrophobicContact CZ2-CD1 4.4Å; W561-L579 HydrophobicContact CZ2-CD2 3.8Å; Y571-L579 CarbonylContact O-C 3.34Å; Y571-L579 WeakPolarHBondContact O-CA 3.37Å; F572-L579 HydrophobicContact CD1-CD2 3.68Å; F572-L579 HydrophobicContact CE1-CD2 3.6Å; F572-L579 HydrophobicContact CG-CD2 4.49Å; F572-L579 HydrophobicContact CZ-CD2 4.35Å; L579-L587 HydrophobicContact CD1-CB 4.2Å; L579-L587 HydrophobicContact CD1-CD2 3.72Å
580E91Very high91.6Very high97 Ų9743 Ų4345%0.45321%0.208SC..PPolyproline II helixtrans-66.6160.5161.7-67-64.6168.200109.4Y571 A573 A582 G583 S584Y571-E580 PolarHBondContact O-N 3.33Å; A573-E580 WeakPolarHBondContact CA-OE1 3.45Å; E580-A582 PolarHBondContact O-N 2.92Å; E580-G583 CarbonylContact O-C 3.49Å; E580-G583 WeakPolarHBondContact O-CA 3.4Å; E580-G583 PolarHBondContact O-N 3.1Å; E580-S584 PolarHBondContact O-N 3.12Å; E580-S584 PolarHBondContact O-OG 3.01Å
581Y91.6Very high91.9Very high154 Ų15438.1 Ų38.160%0.60419%0.185SC*.Hα-helixtrans-54.6-35.7-176.8-175-104.1000113.5V461 S584 K585V461-Y581 HydrophobicContact CG2-CD2 4.23Å; V461-Y581 HydrophobicContact CG2-CE2 3.83Å; Y581-S584 PolarHBondContact O-N 2.87Å; Y581-K585 PolarHBondContact O-N 3.24Å; Y581-K585 VanDerWaalsContact O-N 3.07Å
582A93.8Very high91.9Very high49 Ų4936.4 Ų36.441%0.40518%0.179SC..Hα-helixtrans-62.8-44.5173.900000112.1Y571 E580 K585 A586Y571-A582 HydrophobicContact CD1-CB 4.15Å; Y571-A582 HydrophobicContact CE1-CB 4.41Å; E580-A582 PolarHBondContact O-N 2.92Å; A582-K585 PolarHBondContact O-N 3.06Å; A582-A586 WeakPolarHBondContact O-CB 3.14Å; A582-A586 PolarHBondContact O-N 3.2Å
583G95.1Very high92.1Very high0 Ų042.7 Ų42.70%021%0.207CC..Hα-helixtrans-64-43.7174.900000112.5Y571 E580 K585 A586 L587Y571-G583 VanDerWaalsContact CB-CA 3.5Å; E580-G583 CarbonylContact O-C 3.49Å; E580-G583 WeakPolarHBondContact O-CA 3.4Å; E580-G583 PolarHBondContact O-N 3.1Å; G583-K585 VanDerWaalsContact C-N 3.26Å; G583-K585 PolarHBondContact O-N 3.08Å; G583-A586 PolarHBondContact O-N 3.24Å; G583-L587 WeakPolarHBondContact O-CB 3.47Å; G583-L587 PolarHBondContact O-N 3.39Å
584S95.3Very high92.5Very high6 Ų643 Ų434%0.04221%0.207CC..Hα-helixtrans-60.2-38.3176.6-50.90000112.2E580 Y581 T588E580-S584 PolarHBondContact O-N 3.12Å; E580-S584 PolarHBondContact O-OG 3.01Å; Y581-S584 PolarHBondContact O-N 2.87Å; S584-T588 VanDerWaalsContact O-CB 3.26Å; S584-T588 WeakPolarHBondContact O-CB 3.2Å; S584-T588 PolarHBondContact O-N 3.32Å; S584-T588 PolarHBondContact O-OG1 2.94Å
585K96.4Very high93.2Very high115 Ų11539.3 Ų39.350%0.519%0.193SC..Hα-helixtrans-67.7-47.5174.5-172.1-176.5177.1-172.30111.6V461 Y581 A582 G583 L587 T588 D589V461-K585 HydrophobicContact CG1-CB 4.47Å; Y581-K585 PolarHBondContact O-N 3.24Å; Y581-K585 VanDerWaalsContact O-N 3.07Å; A582-K585 PolarHBondContact O-N 3.06Å; G583-K585 VanDerWaalsContact C-N 3.26Å; G583-K585 PolarHBondContact O-N 3.08Å; K585-L587 PolarHBondContact O-N 2.85Å; K585-T588 WeakPolarHBondContact O-CB 3.31Å; K585-T588 PolarHBondContact O-N 2.94Å; K585-D589 WeakPolarHBondContact O-CB 3.27Å; K585-D589 VanDerWaalsContact O-CG 3.27Å; K585-D589 PolarHBondContact O-N 2.73Å
586A97.7Very high93.7Very high22 Ų2242.6 Ų42.618%0.18221%0.208CC..Hα-helixtrans-60.2-45.8179.700000112.1W561 Y571 A582 G583 D589 L590W561-A586 HydrophobicContact CH2-CB 4.23Å; W561-A586 HydrophobicContact CZ3-CB 4.08Å; Y571-A586 HydrophobicContact CD2-CB 4.2Å; Y571-A586 HydrophobicContact CE1-CB 4.15Å; Y571-A586 HydrophobicContact CE2-CB 3.66Å; A582-A586 WeakPolarHBondContact O-CB 3.14Å; A582-A586 PolarHBondContact O-N 3.2Å; G583-A586 PolarHBondContact O-N 3.24Å; A586-D589 PolarHBondContact O-N 3.1Å; A586-L590 WeakPolarHBondContact O-CB 3.38Å; A586-L590 PolarHBondContact O-N 2.93Å
587L98.1Very high93.8Very high0 Ų045.6 Ų45.60%023%0.227CC..Hα-helixtrans-64.8-43.6176178.256.1000111.7V454 I458 V530 W561 L579 G583 K585 D589 L590 I591V454-L587 HydrophobicContact CG1-CD2 3.49Å; V454-L587 VanDerWaalsContact CG1-CD2 3.49Å; I458-L587 HydrophobicContact CD1-CD2 4.36Å; I458-L587 HydrophobicContact CD1-CG 4.49Å; I458-L587 HydrophobicContact CG2-CB 4.32Å; I458-L587 HydrophobicContact CG2-CD2 3.89Å; I458-L587 HydrophobicContact CG2-CG 4.28Å; V530-L587 HydrophobicContact CG1-CD1 4.01Å; W561-L587 HydrophobicContact CB-CD1 3.94Å; W561-L587 HydrophobicContact CD2-CB 4.32Å; W561-L587 HydrophobicContact CD2-CD1 3.84Å; W561-L587 HydrophobicContact CD2-CG 4.47Å; W561-L587 HydrophobicContact CE3-CB 4.03Å; W561-L587 HydrophobicContact CE3-CD1 3.88Å; W561-L587 HydrophobicContact CG-CD1 3.88Å; W561-L587 HydrophobicContact CH2-CB 4.11Å; W561-L587 HydrophobicContact CZ2-CB 4.42Å; W561-L587 HydrophobicContact CZ3-CB 3.93Å; L579-L587 HydrophobicContact CD1-CB 4.2Å; L579-L587 HydrophobicContact CD1-CD2 3.72Å; G583-L587 WeakPolarHBondContact O-CB 3.47Å; G583-L587 PolarHBondContact O-N 3.39Å; K585-L587 PolarHBondContact O-N 2.85Å; L587-D589 VanDerWaalsContact C-N 3.32Å; L587-D589 PolarHBondContact O-N 3.08Å; L587-L590 PolarHBondContact O-N 2.66Å; L587-I591 HydrophobicContact CD1-CD1 3.88Å; L587-I591 HydrophobicContact CD1-CG1 4.04Å; L587-I591 HydrophobicContact CG-CD1 3.87Å; L587-I591 HydrophobicContact CG-CG1 4.48Å; L587-I591 VanDerWaalsContact O-CG1 3.32Å; L587-I591 WeakPolarHBondContact O-CG1 3.32Å; L587-I591 PolarHBondContact O-N 3.37Å
588T97.6Very high93.5Very high1 Ų148 Ų481%0.00624%0.237CC..Hα-helixtrans-57-46.2174.5-65.80000111.4V461 F462 K465 S584 K585 I591 V592V461-T588 HydrophobicContact CG1-CG2 4.3Å; F462-T588 HydrophobicContact CB-CG2 4.27Å; F462-T588 HydrophobicContact CD2-CG2 3.73Å; F462-T588 HydrophobicContact CE2-CG2 4.35Å; F462-T588 HydrophobicContact CG-CG2 4.28Å; K465-T588 HydrophobicContact CB-CG2 4.35Å; K465-T588 HydrophobicContact CD-CG2 4.01Å; S584-T588 VanDerWaalsContact O-CB 3.26Å; S584-T588 WeakPolarHBondContact O-CB 3.2Å; S584-T588 PolarHBondContact O-N 3.32Å; S584-T588 PolarHBondContact O-OG1 2.94Å; K585-T588 WeakPolarHBondContact O-CB 3.31Å; K585-T588 PolarHBondContact O-N 2.94Å; T588-I591 PolarHBondContact O-N 2.8Å; T588-V592 VanDerWaalsContact O-CG2 3.31Å; T588-V592 WeakPolarHBondContact O-CG2 3.47Å; T588-V592 PolarHBondContact O-N 3.28Å
589D97.3Very high92.3Very high59 Ų5947.1 Ų47.132%0.31624%0.239SC..Hα-helixtrans-65.1-40.2179.6-71.9-18.1000111.8K465 K585 A586 L587 K593K465-D589 IonicContact NZ-OD1 2.73Å; K465-D589 PolarHBondContact NZ-OD1 3.49Å; K585-D589 WeakPolarHBondContact O-CB 3.27Å; K585-D589 VanDerWaalsContact O-CG 3.27Å; K585-D589 PolarHBondContact O-N 2.73Å; A586-D589 PolarHBondContact O-N 3.1Å; L587-D589 VanDerWaalsContact C-N 3.32Å; L587-D589 PolarHBondContact O-N 3.08Å; D589-K593 VanDerWaalsContact O-CB 3.27Å; D589-K593 WeakPolarHBondContact O-CB 3.43Å; D589-K593 PolarHBondContact O-N 3.19Å
590L98Very high90.5Very high40 Ų4050.7 Ų50.721%0.20926%0.262CS..Hα-helixtrans-62.4-49.4175.7-17764.3000111.7V559 W561 A564 A586 L587 V592 K593 T594V559-L590 HydrophobicContact CG1-CD2 3.81Å; V559-L590 HydrophobicContact CG1-CG 3.78Å; W561-L590 HydrophobicContact CB-CD2 4.26Å; W561-L590 HydrophobicContact CE3-CD2 4.08Å; A564-L590 HydrophobicContact CB-CD1 4.47Å; A564-L590 HydrophobicContact CB-CD2 3.69Å; A586-L590 WeakPolarHBondContact O-CB 3.38Å; A586-L590 PolarHBondContact O-N 2.93Å; L587-L590 PolarHBondContact O-N 2.66Å; L590-V592 PolarHBondContact O-N 3.09Å; L590-K593 PolarHBondContact O-N 3.13Å; L590-T594 PolarHBondContact O-N 2.74Å; L590-T594 PolarHBondContact O-OG1 3.31Å; L590-T594 VanDerWaalsContact O-OG1 3.07Å
591I97.7Very high88.7Confident0 Ų051.9 Ų51.90%027%0.272CS..Hα-helixtrans-58.6-49.3178.1-68.1164000110.3I458 F462 V501 V530 V559 L587 T588 K593 T594 M595I458-I591 HydrophobicContact CD1-CD1 3.75Å; F462-I591 HydrophobicContact CE2-CB 4Å; F462-I591 HydrophobicContact CE2-CD1 4.47Å; F462-I591 HydrophobicContact CE2-CG2 3.6Å; F462-I591 HydrophobicContact CZ-CG2 4.05Å; V501-I591 HydrophobicContact CG1-CD1 4.21Å; V501-I591 HydrophobicContact CG1-CG1 4.44Å; V501-I591 HydrophobicContact CG1-CG2 4.05Å; V501-I591 HydrophobicContact CG2-CG2 3.72Å; V530-I591 HydrophobicContact CG2-CD1 4.42Å; V530-I591 HydrophobicContact CG2-CG1 4.38Å; V559-I591 HydrophobicContact CG1-CG1 3.82Å; L587-I591 HydrophobicContact CD1-CD1 3.88Å; L587-I591 HydrophobicContact CD1-CG1 4.04Å; L587-I591 HydrophobicContact CG-CD1 3.87Å; L587-I591 HydrophobicContact CG-CG1 4.48Å; L587-I591 VanDerWaalsContact O-CG1 3.32Å; L587-I591 WeakPolarHBondContact O-CG1 3.32Å; L587-I591 PolarHBondContact O-N 3.37Å; T588-I591 PolarHBondContact O-N 2.8Å; I591-K593 PolarHBondContact O-N 3.45Å; I591-T594 PolarHBondContact O-N 3.36Å; I591-M595 HydrophobicContact CG2-CG 4.42Å; I591-M595 HydrophobicContact CG2-SD 3.77Å; I591-M595 VanDerWaalsContact O-CG 3.3Å; I591-M595 WeakPolarHBondContact O-CG 3.44Å; I591-M595 PolarHBondContact O-N 3.42Å
592V95.9Very high86.6Confident5 Ų550.8 Ų50.83%0.0327%0.27CS..Hα-helixtrans-61.4-44.6-179.8170.60000111.1F462 K465 I466 T588 L590 T594 M595 E596F462-V592 HydrophobicContact CE2-CG2 3.96Å; F462-V592 HydrophobicContact CZ-CG2 4.01Å; K465-V592 HydrophobicContact CD-CG2 4.16Å; I466-V592 HydrophobicContact CD1-CG2 4.31Å; I466-V592 HydrophobicContact CG1-CG2 4.03Å; T588-V592 VanDerWaalsContact O-CG2 3.31Å; T588-V592 WeakPolarHBondContact O-CG2 3.47Å; T588-V592 PolarHBondContact O-N 3.28Å; L590-V592 PolarHBondContact O-N 3.09Å; V592-T594 VanDerWaalsContact C-N 3.34Å; V592-T594 PolarHBondContact O-N 3.03Å; V592-M595 WeakPolarHBondContact O-CB 3.4Å; V592-M595 PolarHBondContact O-N 3.48Å; V592-E596 HydrophobicContact CG1-CG 4.38Å; V592-E596 WeakPolarHBondContact CG1-OE1 3.4Å; V592-E596 WeakPolarHBondContact O-CG 3.26Å; V592-E596 PolarHBondContact O-N 3.46Å
593K95.8Very high83.9Confident139 Ų13957.9 Ų57.960%0.60429%0.292SS*.Hα-helixtrans-59.9-42.6177.5-176.5-179.3179.5-177.50111.9D589 L590 I591 E596 T597D589-K593 VanDerWaalsContact O-CB 3.27Å; D589-K593 WeakPolarHBondContact O-CB 3.43Å; D589-K593 PolarHBondContact O-N 3.19Å; L590-K593 PolarHBondContact O-N 3.13Å; I591-K593 PolarHBondContact O-N 3.45Å; K593-E596 PolarHBondContact O-N 3.3Å; K593-T597 WeakPolarHBondContact O-CB 3.35Å; K593-T597 PolarHBondContact O-N 3.23Å; K593-T597 PolarHBondContact O-OG1 3.31Å
594T95.3Very high83.3Confident19 Ų1960.8 Ų60.812%0.11731%0.306CS..Hα-helixtrans-66.2-40.6177.1-54.40000111.1Y528 H557 V559 L590 I591 V592 E596 T597 H598Y528-T594 HydrophobicContact CD1-CG2 3.8Å; Y528-T594 HydrophobicContact CE1-CG2 4.12Å; H557-T594 HydrophobicContact CB-CG2 4.39Å; V559-T594 HydrophobicContact CG2-CG2 4.02Å; L590-T594 PolarHBondContact O-N 2.74Å; L590-T594 PolarHBondContact O-OG1 3.31Å; L590-T594 VanDerWaalsContact O-OG1 3.07Å; I591-T594 PolarHBondContact O-N 3.36Å; V592-T594 VanDerWaalsContact C-N 3.34Å; V592-T594 PolarHBondContact O-N 3.03Å; T594-E596 VanDerWaalsContact C-N 3.32Å; T594-E596 PolarHBondContact O-N 3.04Å; T594-T597 PolarHBondContact O-N 2.89Å; T594-H598 PolarHBondContact O-CD2 3.14Å; T594-H598 PolarHBondContact O-N 2.8Å
595M94Very high82.7Confident17 Ų1763.7 Ų63.78%0.08432%0.32CS..Hα-helixtrans-61.1-38.5175.7-71.1172.264.500113.4P447 F462 K499 V501 Y528 I591 V592 A599P447-M595 HydrophobicContact CB-CE 3.66Å; P447-M595 HydrophobicContact CG-CE 4.01Å; F462-M595 HydrophobicContact CZ-SD 4.28Å; K499-M595 HydrophobicContact CB-CE 4.14Å; K499-M595 HydrophobicContact CD-CB 4.44Å; K499-M595 HydrophobicContact CD-CE 3.71Å; V501-M595 HydrophobicContact CG2-SD 3.96Å; Y528-M595 HydrophobicContact CD1-CG 3.86Å; Y528-M595 HydrophobicContact CD2-CG 3.78Å; Y528-M595 VanDerWaalsContact CE1-CA 3.41Å; Y528-M595 HydrophobicContact CE1-CB 4.17Å; Y528-M595 HydrophobicContact CE1-CG 3.82Å; Y528-M595 HydrophobicContact CE2-CB 4.45Å; Y528-M595 HydrophobicContact CE2-CG 3.74Å; Y528-M595 HydrophobicContact CG-CG 3.84Å; Y528-M595 PolarHBondContact OH-O 3.32Å; I591-M595 HydrophobicContact CG2-CG 4.42Å; I591-M595 HydrophobicContact CG2-SD 3.77Å; I591-M595 VanDerWaalsContact O-CG 3.3Å; I591-M595 WeakPolarHBondContact O-CG 3.44Å; I591-M595 PolarHBondContact O-N 3.42Å; V592-M595 WeakPolarHBondContact O-CB 3.4Å; V592-M595 PolarHBondContact O-N 3.48Å; M595-A599 PolarHBondContact O-N 2.84Å
596E90.7Very high81.9Confident85 Ų8560.8 Ų60.840%0.39731%0.31SS..Hα-helixtrans-71.9-46.8177.8-71.8173.2170.400112.1I442 V592 K593 T594 H598 A599 T600I442-E596 HydrophobicContact CD1-CG 3.68Å; I442-E596 WeakPolarHBondContact CD1-OE1 3.38Å; V592-E596 HydrophobicContact CG1-CG 4.38Å; V592-E596 WeakPolarHBondContact CG1-OE1 3.4Å; V592-E596 WeakPolarHBondContact O-CG 3.26Å; V592-E596 PolarHBondContact O-N 3.46Å; K593-E596 PolarHBondContact O-N 3.3Å; T594-E596 VanDerWaalsContact C-N 3.32Å; T594-E596 PolarHBondContact O-N 3.04Å; E596-H598 VanDerWaalsContact C-N 3.32Å; E596-H598 PolarHBondContact O-N 3.24Å; E596-A599 WeakPolarHBondContact O-CB 3.42Å; E596-A599 PolarHBondContact O-N 2.6Å; E596-T600 PolarHBondContact O-N 3.1Å; E596-T600 PolarHBondContact O-OG1 3.37Å
597T86.7Confident81Confident65 Ų6563.1 Ų63.140%0.39932%0.318SS..Hα-helixtrans-59.8-40.4-176.1-53.30000112.5K593 T594 T600K593-T597 WeakPolarHBondContact O-CB 3.35Å; K593-T597 PolarHBondContact O-N 3.23Å; K593-T597 PolarHBondContact O-OG1 3.31Å; T594-T597 PolarHBondContact O-N 2.89Å; T597-T600 PolarHBondContact O-OG1 2.62Å
598H78.9Confident79.9Confident63 Ų6367.1 Ų67.129%0.29234%0.338SS..Hα-helixtrans-81.1-15.7178-76.1-85.6000113.7Y528 H557 T594 E596Y528-H598 HydrophobicContact CE1-CB 4.45Å; H557-H598 AromaticContact CE1-CG 3.97Å; H557-H598 AromaticContact CE1-ND1 3.58Å; H557-H598 AromaticContact CG-CD2 3.99Å; H557-H598 AromaticContact CG-CG 3.85Å; H557-H598 AromaticContact CG-ND1 3.94Å; H557-H598 AromaticContact ND1-CD2 3.86Å; H557-H598 AromaticContact ND1-CE1 3.28Å; H557-H598 PolarHBondContact ND1-CE1 3.44Å; H557-H598 VanDerWaalsContact ND1-CE1 3.28Å; H557-H598 AromaticContact ND1-CG 3.46Å; H557-H598 AromaticContact ND1-ND1 3.09Å; H557-H598 PolarHBondContact ND1-ND1 3.41Å; H557-H598 AromaticContact ND1-NE2 3.78Å; T594-H598 PolarHBondContact O-CD2 3.14Å; T594-H598 PolarHBondContact O-N 2.8Å; E596-H598 VanDerWaalsContact C-N 3.32Å; E596-H598 PolarHBondContact O-N 3.24Å
599A60.4Low78.7Confident37 Ų3771.5 Ų71.531%0.30636%0.36SS..Hα-helixtrans-74.8-32.5172.100000111.7M595 E596M595-A599 PolarHBondContact O-N 2.84Å; E596-A599 WeakPolarHBondContact O-CB 3.42Å; E596-A599 PolarHBondContact O-N 2.6Å
600T54.4Low77.4Confident91 Ų9172.4 Ų72.456%0.55836%0.363SS*.Hα-helixtrans-75.1-32.3177.735.70000113.7E596 T597 K602 K603E596-T600 PolarHBondContact O-N 3.1Å; E596-T600 PolarHBondContact O-OG1 3.37Å; T597-T600 PolarHBondContact O-OG1 2.62Å; T600-K602 PolarHBondContact O-N 3.48Å; T600-K603 PolarHBondContact O-N 3.27Å
601N51.4Low75.8Confident123 Ų12374.8 Ų74.866%0.65838%0.375SS*.THydrogen-bonded Turntrans-76.9-3.2179.9-70.2-11000114.4
602K47.8Very low74Confident130 Ų13081.1 Ų81.157%0.56541%0.406SS*.THydrogen-bonded Turntrans-109.50.7178.3-76.3-174.6179.2179.30113.7D526 T600D526-K602 IonicContact OD1-NZ 2.62Å; D526-K602 PolarHBondContact OD1-NZ 3.42Å; D526-K602 IonicContact OD2-NZ 2.89Å; D526-K602 PolarHBondContact OD2-NZ 2.78Å; T600-K602 PolarHBondContact O-N 3.48Å
603K36.7Very low72Confident199 Ų19988 Ų8887%0.86544%0.44SS*.  trans-96.40166-75.4-173.5172.3-1700108.8D441 T600D441-K603 IonicContact OD2-NZ 2.6Å; D441-K603 PolarHBondContact OD2-NZ 2.86Å; T600-K603 PolarHBondContact O-N 3.27Å

Retrieved 603 of 603 residues in 398.8 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).