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Beta-galactoside alpha-2,6-sialyltransferase 2

Transfers sialic acid from the donor of substrate CMP-sialic acid to galactose containing acceptor substrates. Has alpha-2,6-sialyltransferase activity toward oligosaccharides that have the Gal-beta-1,4-GlcNAc sequence at the non-reducing end of their carbohydrate groups, but it has weak or no activities toward glycoproteins and glycolipids.

AlphaFold DB , UniProt , Accession A0A096N576, Species PAPAN (Papio anubis, Olive baboon), Gene ST6GAL2, Length 529 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M45Very low65.1Low237 Ų237154.7 Ų154.7100%1.16770%0.703SS**  0124.60-67.6160.37200108.7
2K53.6Low66.8Low165 Ų165150.5 Ų150.572%0.71769%0.687SS**  cis-138.1126.4-26.1-79.6177.2176.8177.10104.4H4K2-H4 PolarHBondContact O-N 3.05Å
3P57Low68.2Low126 Ų126147.8 Ų147.882%0.81868%0.681SS**THydrogen-bonded Turntrans-62.8-7.2-176.424.2-32.9000114.5L5P3-L5 PolarHBondContact O-N 2.78Å
4H59.3Low69.6Low130 Ų130148.6 Ų148.660%0.60268%0.682SS**Hα-helixtrans-69.9-23.2-177.9-159.6-97.9000114.6K2 W8K2-H4 PolarHBondContact O-N 3.05Å; H4-W8 WeakPolarHBondContact O-CB 3.5Å; H4-W8 PolarHBondContact O-N 3.15Å
5L59.9Low70.9Confident123 Ų123141 Ų14164%0.64466%0.66SS**Hα-helixtrans-74.6-34.4-175.1-127.391.9000113.4P3 R9P3-L5 PolarHBondContact O-N 2.78Å; L5-R9 PolarHBondContact O-N 3.36Å
6K68.2Low72.2Confident167 Ų167138.4 Ų138.473%0.72665%0.651SS**Hα-helixtrans-74.1-39-178.7-158.9175.6-176.6-178.30111.1R9 Q10K6-R9 PolarHBondContact O-N 3.38Å; K6-Q10 PolarHBondContact O-N 3.41Å; K6-Q10 VanDerWaalsContact O-N 3.09Å
7Q71Confident73.3Confident106 Ų106138.9 Ų138.950%0.49565%0.65SS.*Hα-helixtrans-67.9-36.3176.2-156.1175.213.600111.9Q10 R11Q7-Q10 PolarHBondContact O-N 2.83Å; Q7-R11 WeakPolarHBondContact O-CG 3.45Å; Q7-R11 PolarHBondContact O-N 2.67Å
8W71.8Confident74.3Confident161 Ų161133.8 Ų133.861%0.6164%0.636SS**Hα-helixtrans-68-41.4175.6-161.581.8000112.3H4 Q10 R11 M12H4-W8 WeakPolarHBondContact O-CB 3.5Å; H4-W8 PolarHBondContact O-N 3.15Å; W8-Q10 PolarHBondContact O-N 3.04Å; W8-R11 PolarHBondContact O-N 3.19Å; W8-M12 HydrophobicContact CH2-SD 4.44Å; W8-M12 HydrophobicContact CZ3-SD 4.29Å; W8-M12 PolarHBondContact O-N 2.71Å
9R74.3Confident75.2Confident175 Ų175136.6 Ų136.666%0.6664%0.64SS**Hα-helixtrans-61.7-41.3173.2-80.8-176.4170.1-171.8-2.7112.8L5 K6 M12 L13L5-R9 PolarHBondContact O-N 3.36Å; K6-R9 PolarHBondContact O-N 3.38Å; R9-M12 PolarHBondContact O-N 3.3Å; R9-L13 WeakPolarHBondContact O-CB 3.2Å; R9-L13 WeakPolarHBondContact O-CG 3.42Å; R9-L13 PolarHBondContact O-N 2.72Å
10Q77.4Confident76.1Confident131 Ų131131.6 Ų131.661%0.61263%0.627SS**Hα-helixtrans-64.7-41.8175-91.4177.1-38.900112.5K6 Q7 W8 M12 L13 F14K6-Q10 PolarHBondContact O-N 3.41Å; K6-Q10 VanDerWaalsContact O-N 3.09Å; Q7-Q10 PolarHBondContact O-N 2.83Å; W8-Q10 PolarHBondContact O-N 3.04Å; Q10-M12 VanDerWaalsContact C-N 3.33Å; Q10-M12 PolarHBondContact O-N 2.88Å; Q10-L13 PolarHBondContact O-N 2.63Å; Q10-F14 WeakPolarHBondContact O-CB 3.43Å; Q10-F14 PolarHBondContact O-N 2.79Å
11R78.8Confident76.9Confident181 Ų181129.8 Ų129.868%0.68362%0.62SS**Hα-helixtrans-65.1-36.8175.5-74.3-176.8175.7-171.4-0.6112.4Q7 W8 F14 G15Q7-R11 WeakPolarHBondContact O-CG 3.45Å; Q7-R11 PolarHBondContact O-N 2.67Å; W8-R11 PolarHBondContact O-N 3.19Å; R11-F14 PolarHBondContact O-N 2.8Å; R11-G15 PolarHBondContact O-N 3.28Å
12M85.1Confident79Confident104 Ų104122.6 Ų122.651%0.51259%0.586SS.*Hα-helixtrans-69.2-42.4176.5-154.9-163.517700111.8W8 R9 Q10 F14 G15 I16W8-M12 HydrophobicContact CH2-SD 4.44Å; W8-M12 HydrophobicContact CZ3-SD 4.29Å; W8-M12 PolarHBondContact O-N 2.71Å; R9-M12 PolarHBondContact O-N 3.3Å; Q10-M12 VanDerWaalsContact C-N 3.33Å; Q10-M12 PolarHBondContact O-N 2.88Å; M12-F14 VanDerWaalsContact C-N 3.33Å; M12-F14 PolarHBondContact O-N 3.19Å; M12-G15 PolarHBondContact O-N 3.3Å; M12-I16 HydrophobicContact CE-CD1 4.39Å; M12-I16 HydrophobicContact CG-CD1 4.39Å; M12-I16 VanDerWaalsContact O-CG1 3.3Å; M12-I16 WeakPolarHBondContact O-CG1 3.46Å; M12-I16 PolarHBondContact O-N 2.95Å
13L85.3Confident80.9Confident115 Ų115121 Ų12160%0.60258%0.579SS**Hα-helixtrans-62-40.5174.7-77.1165.8000112R9 Q10 I16 F17R9-L13 WeakPolarHBondContact O-CB 3.2Å; R9-L13 WeakPolarHBondContact O-CG 3.42Å; R9-L13 PolarHBondContact O-N 2.72Å; Q10-L13 PolarHBondContact O-N 2.63Å; L13-I16 PolarHBondContact O-N 3.47Å; L13-F17 WeakPolarHBondContact O-CB 3.24Å; L13-F17 PolarHBondContact O-N 3.47Å
14F87.9Confident82.5Confident160 Ų160119.7 Ų119.770%0.70257%0.565SS**Hα-helixtrans-65.6-39.5175-157.9-88.8000111.8Q10 R11 M12 F17 A18Q10-F14 WeakPolarHBondContact O-CB 3.43Å; Q10-F14 PolarHBondContact O-N 2.79Å; R11-F14 PolarHBondContact O-N 2.8Å; M12-F14 VanDerWaalsContact C-N 3.33Å; M12-F14 PolarHBondContact O-N 3.19Å; F14-F17 PolarHBondContact O-N 2.98Å; F14-A18 WeakPolarHBondContact O-CB 3.47Å; F14-A18 PolarHBondContact O-N 3.33Å
15G89.8Confident83.8Confident34 Ų34119 Ų11935%0.35157%0.565SS.*Hα-helixtrans-62.5-42.7174.400000113R11 M12 A18 W19R11-G15 PolarHBondContact O-N 3.28Å; M12-G15 PolarHBondContact O-N 3.3Å; G15-A18 PolarHBondContact O-N 3.32Å; G15-W19 WeakPolarHBondContact O-CB 3.37Å; G15-W19 PolarHBondContact O-N 3.46Å
16I91Very high85Confident100 Ų100117.1 Ų117.151%0.51356%0.555SS.*Hα-helixtrans-64.9-42.3176-67.2164.3000110.6M12 L13 W19 G20M12-I16 HydrophobicContact CE-CD1 4.39Å; M12-I16 HydrophobicContact CG-CD1 4.39Å; M12-I16 VanDerWaalsContact O-CG1 3.3Å; M12-I16 WeakPolarHBondContact O-CG1 3.46Å; M12-I16 PolarHBondContact O-N 2.95Å; L13-I16 PolarHBondContact O-N 3.47Å; I16-W19 PolarHBondContact O-N 2.96Å; I16-G20 PolarHBondContact O-N 3.45Å
17F91.5Very high85.9Confident146 Ų146114.7 Ų114.764%0.6454%0.544SS*.Hα-helixtrans-66.2-41.9178.7-161.3-94.3000112.1L13 F14 G20 L21L13-F17 WeakPolarHBondContact O-CB 3.24Å; L13-F17 PolarHBondContact O-N 3.47Å; F14-F17 PolarHBondContact O-N 2.98Å; F17-G20 PolarHBondContact O-N 3.42Å; F17-L21 HydrophobicContact CD1-CD1 3.75Å; F17-L21 HydrophobicContact CE1-CD1 3.54Å; F17-L21 HydrophobicContact CE1-CG 4.45Å; F17-L21 PolarHBondContact O-N 2.85Å
18A90.6Very high86.4Confident48 Ų48113.7 Ų113.740%0.39754%0.542SS..Hα-helixtrans-63.9-40.117500000112.1F14 G15 L21 L22F14-A18 WeakPolarHBondContact O-CB 3.47Å; F14-A18 PolarHBondContact O-N 3.33Å; G15-A18 PolarHBondContact O-N 3.32Å; A18-L21 PolarHBondContact O-N 3.5Å; A18-L22 WeakPolarHBondContact O-CB 3.47Å; A18-L22 PolarHBondContact O-N 3.07Å
19W91.4Very high86.8Confident187 Ų187113.9 Ų113.971%0.70854%0.543SS*.Hα-helixtrans-65.5-39.9174.2-109.188.8000112.7G15 I16 L22 F23G15-W19 WeakPolarHBondContact O-CB 3.37Å; G15-W19 PolarHBondContact O-N 3.46Å; I16-W19 PolarHBondContact O-N 2.96Å; W19-L22 PolarHBondContact O-N 3.41Å; W19-F23 WeakPolarHBondContact O-CB 3.49Å; W19-F23 PolarHBondContact O-N 2.8Å
20G93.9Very high86.8Confident36 Ų36112.5 Ų112.537%0.37154%0.542SS..Hα-helixtrans-62.3-42174.700000112.6I16 F17 F23 L24I16-G20 PolarHBondContact O-N 3.45Å; F17-G20 PolarHBondContact O-N 3.42Å; G20-F23 PolarHBondContact O-N 2.81Å; G20-L24 WeakPolarHBondContact O-CB 3.24Å; G20-L24 PolarHBondContact O-N 3.41Å
21L92.1Very high86.6Confident93 Ų93110.4 Ų110.449%0.48754%0.539SS..Hα-helixtrans-65-42.1174.7-95.2158.2000112.7F17 A18 L24 L25F17-L21 HydrophobicContact CD1-CD1 3.75Å; F17-L21 HydrophobicContact CE1-CD1 3.54Å; F17-L21 HydrophobicContact CE1-CG 4.45Å; F17-L21 PolarHBondContact O-N 2.85Å; A18-L21 PolarHBondContact O-N 3.5Å; L21-L24 PolarHBondContact O-N 2.93Å; L21-L25 PolarHBondContact O-N 3.32Å
22L90.1Very high85.4Confident87 Ų87107 Ų10746%0.45553%0.534SS..Hα-helixtrans-63.3-43.1176.1-177.866.7000111.3A18 W19 L25 I26A18-L22 WeakPolarHBondContact O-CB 3.47Å; A18-L22 PolarHBondContact O-N 3.07Å; W19-L22 PolarHBondContact O-N 3.41Å; L22-L25 PolarHBondContact O-N 2.69Å; L22-I26 HydrophobicContact CD1-CD1 4.3Å; L22-I26 HydrophobicContact CG-CD1 4.02Å; L22-I26 VanDerWaalsContact O-CG1 3.3Å; L22-I26 WeakPolarHBondContact O-CG1 3.35Å; L22-I26 PolarHBondContact O-N 3.1Å
23F92.4Very high83.7Confident131 Ų131106.1 Ų106.158%0.57554%0.538SS*.Hα-helixtrans-61.7-43.2175.2179.8-95000111.6W19 G20 L25 I26 F27W19-F23 WeakPolarHBondContact O-CB 3.49Å; W19-F23 PolarHBondContact O-N 2.8Å; G20-F23 PolarHBondContact O-N 2.81Å; F23-L25 PolarHBondContact O-N 3.23Å; F23-I26 PolarHBondContact O-N 2.81Å; F23-F27 WeakPolarHBondContact O-CB 3.32Å; F23-F27 PolarHBondContact O-N 2.74Å
24L90.3Very high82Confident98 Ų98106.8 Ų106.851%0.51354%0.542SS..Hα-helixtrans-62.5-41.3176.1-111.7154000112.4G20 L21 F27 I28G20-L24 WeakPolarHBondContact O-CB 3.24Å; G20-L24 PolarHBondContact O-N 3.41Å; L21-L24 PolarHBondContact O-N 2.93Å; L24-F27 PolarHBondContact O-N 3.43Å; L24-I28 HydrophobicContact CD2-CD1 4.07Å; L24-I28 WeakPolarHBondContact O-CB 3.27Å; L24-I28 VanDerWaalsContact O-CG1 3.22Å; L24-I28 WeakPolarHBondContact O-CG1 3.49Å; L24-I28 PolarHBondContact O-N 3.28Å
25L87.6Confident80.4Confident117 Ų117105.4 Ų105.461%0.61355%0.549SS*.Hα-helixtrans-63.3-44.7175.1-89.9164.8000112.2L21 L22 F23 I28 Y29L21-L25 PolarHBondContact O-N 3.32Å; L22-L25 PolarHBondContact O-N 2.69Å; F23-L25 PolarHBondContact O-N 3.23Å; L25-I28 PolarHBondContact O-N 3.23Å; L25-Y29 WeakPolarHBondContact O-CB 3.43Å; L25-Y29 PolarHBondContact O-N 2.83Å
26I83.8Confident78.2Confident83 Ų83107.5 Ų107.543%0.42656%0.564SS.*Hα-helixtrans-64.9-44176.5-68.2169.4000110.1L22 F23 I28 Y29 F30L22-I26 HydrophobicContact CD1-CD1 4.3Å; L22-I26 HydrophobicContact CG-CD1 4.02Å; L22-I26 VanDerWaalsContact O-CG1 3.3Å; L22-I26 WeakPolarHBondContact O-CG1 3.35Å; L22-I26 PolarHBondContact O-N 3.1Å; F23-I26 PolarHBondContact O-N 2.81Å; I26-I28 PolarHBondContact O-N 2.71Å; I26-Y29 WeakPolarHBondContact O-CB 3.42Å; I26-Y29 PolarHBondContact O-N 2.93Å; I26-F30 HydrophobicContact CG2-CD2 3.67Å; I26-F30 HydrophobicContact CG2-CE2 3.85Å; I26-F30 VanDerWaalsContact O-CD2 3.31Å; I26-F30 WeakPolarHBondContact O-CD2 3.25Å; I26-F30 PolarHBondContact O-N 3.37Å
27F87Confident75.8Confident115 Ų115111 Ų11150%0.50458%0.578SS.*Hα-helixtrans-61.6-45178.7-175.3-95.6000111.4F23 L24 F30 T31F23-F27 WeakPolarHBondContact O-CB 3.32Å; F23-F27 PolarHBondContact O-N 2.74Å; L24-F27 PolarHBondContact O-N 3.43Å; F27-F30 PolarHBondContact O-N 2.9Å; F27-T31 HydrophobicContact CD1-CG2 4.23Å; F27-T31 HydrophobicContact CD2-CG2 4.37Å; F27-T31 HydrophobicContact CE1-CG2 3.89Å; F27-T31 HydrophobicContact CE2-CG2 4.04Å; F27-T31 HydrophobicContact CG-CG2 4.47Å; F27-T31 HydrophobicContact CZ-CG2 3.79Å; F27-T31 WeakPolarHBondContact O-CB 3.41Å; F27-T31 WeakPolarHBondContact O-CG2 3.34Å; F27-T31 PolarHBondContact O-N 3.42Å; F27-T31 PolarHBondContact O-OG1 3.48Å
28I82.4Confident73.8Confident86 Ų86109.6 Ų109.644%0.44158%0.583SS.*Hα-helixtrans-63.7-43.8174.5-67.2165.2000110.5L24 L25 I26 F30 T31 D32L24-I28 HydrophobicContact CD2-CD1 4.07Å; L24-I28 WeakPolarHBondContact O-CB 3.27Å; L24-I28 VanDerWaalsContact O-CG1 3.22Å; L24-I28 WeakPolarHBondContact O-CG1 3.49Å; L24-I28 PolarHBondContact O-N 3.28Å; L25-I28 PolarHBondContact O-N 3.23Å; I26-I28 PolarHBondContact O-N 2.71Å; I28-F30 VanDerWaalsContact C-N 3.31Å; I28-F30 PolarHBondContact O-N 3.28Å; I28-T31 WeakPolarHBondContact CA-OG1 3.43Å; I28-T31 PolarHBondContact O-N 3.34Å; I28-D32 HydrophobicContact CG2-CB 4.42Å; I28-D32 WeakPolarHBondContact O-CB 3.49Å; I28-D32 PolarHBondContact O-N 2.87Å
29Y81.3Confident71.3Confident165 Ų165113.5 Ų113.565%0.64760%0.602SS**Hα-helixtrans-58-41.4177.4177.2-98.9000113L25 I26 S33L25-Y29 WeakPolarHBondContact O-CB 3.43Å; L25-Y29 PolarHBondContact O-N 2.83Å; I26-Y29 WeakPolarHBondContact O-CB 3.42Å; I26-Y29 PolarHBondContact O-N 2.93Å; Y29-S33 PolarHBondContact O-OG 3.42Å
30F73.1Confident68.8Low145 Ų145110 Ų11064%0.63660%0.603SS**Hα-helixtrans-81.8-24.3179-81.4-75.1000113.9I26 F27 I28I26-F30 HydrophobicContact CG2-CD2 3.67Å; I26-F30 HydrophobicContact CG2-CE2 3.85Å; I26-F30 VanDerWaalsContact O-CD2 3.31Å; I26-F30 WeakPolarHBondContact O-CD2 3.25Å; I26-F30 PolarHBondContact O-N 3.37Å; F27-F30 PolarHBondContact O-N 2.9Å; I28-F30 VanDerWaalsContact C-N 3.31Å; I28-F30 PolarHBondContact O-N 3.28Å
31T74.4Confident66.2Low87 Ų87114.4 Ų114.453%0.53463%0.628SS.*Hα-helixtrans-91.9-21.6178.753.30000113.7F27 I28 S33F27-T31 HydrophobicContact CD1-CG2 4.23Å; F27-T31 HydrophobicContact CD2-CG2 4.37Å; F27-T31 HydrophobicContact CE1-CG2 3.89Å; F27-T31 HydrophobicContact CE2-CG2 4.04Å; F27-T31 HydrophobicContact CG-CG2 4.47Å; F27-T31 HydrophobicContact CZ-CG2 3.79Å; F27-T31 WeakPolarHBondContact O-CB 3.41Å; F27-T31 WeakPolarHBondContact O-CG2 3.34Å; F27-T31 PolarHBondContact O-N 3.42Å; F27-T31 PolarHBondContact O-OG1 3.48Å; I28-T31 WeakPolarHBondContact CA-OG1 3.43Å; I28-T31 PolarHBondContact O-N 3.34Å; T31-S33 VanDerWaalsContact C-N 3.32Å
32D52.3Low63.4Low110 Ų110114.9 Ų114.959%0.58864%0.639SS**  trans-95.522177.1-156.516.2000112.9I28 N34I28-D32 HydrophobicContact CG2-CB 4.42Å; I28-D32 WeakPolarHBondContact O-CB 3.49Å; I28-D32 PolarHBondContact O-N 2.87Å; D32-N34 PolarHBondContact O-N 2.98Å
33S48.7Very low60.7Low85 Ų85119 Ų11959%0.59466%0.661SS**  trans-76.471.7167-64.80000110Y29 T31 P35Y29-S33 PolarHBondContact O-OG 3.42Å; T31-S33 VanDerWaalsContact C-N 3.32Å; S33-P35 WeakPolarHBondContact O-CD 3.34Å
34N51.2Low57.7Low129 Ų129117.7 Ų117.769%0.6967%0.668SS**  trans-67.1121.1165-98.5-51.2000109.5D32 A36D32-N34 PolarHBondContact O-N 2.98Å; N34-A36 VanDerWaalsContact C-N 3.26Å; N34-A36 PolarHBondContact O-N 3.23Å
35P53.3Low54.8Low131 Ų131122 Ų12285%0.85168%0.683SS**  trans-86.470.9174.535.6-30.3000108.8S33S33-P35 WeakPolarHBondContact O-CD 3.34Å
36A44.8Very low52.1Low79 Ų79122.2 Ų122.265%0.65368%0.684SS**  trans-154.996.6172.700000110.3N34N34-A36 VanDerWaalsContact C-N 3.26Å; N34-A36 PolarHBondContact O-N 3.23Å
37E39.5Very low49.4Very low174 Ų174126.3 Ų126.381%0.81370%0.701SS**  trans154134.2140.6-80.2-88.8144.400110.2
38P49Very low46.8Very low115 Ų115127.3 Ų127.375%0.74772%0.717SS**  trans-90.3133.5178.734.9-28.4000110.7
39V38.5Very low44.3Very low131 Ų131133.7 Ų133.779%0.79474%0.736SS**  trans-142.7158.5173.4-129.50000110
40P40Very low41.8Very low114 Ų114136.6 Ų136.674%0.7475%0.745SS**  -114.7169.2-112.426.2-4.3000112.7
41S37.7Very low39.6Very low128 Ų128137.9 Ų137.990%0.89576%0.758SS**  trans-74.3120177.4-29.10000111.8
42S34.6Very low37.5Very low102 Ų102141.5 Ų141.571%0.71377%0.773SS**  trans-161.6115.1150.558.20000106.2
43L33.5Very low36.8Very low175 Ų175141.5 Ų141.592%0.91678%0.779SS**  -162.8135.690.3-83.7159.9000110.2
44S29.8Very low36Very low103 Ų103142.7 Ų142.772%0.7278%0.783SS**  trans-90.6143.717051.90000112
45F29.3Very low35.1Very low187 Ų187145.8 Ų145.882%0.8279%0.793SS**  trans141.3135154.8-104.7-125.9000108.6
46L29.3Very low33.9Very low123 Ų123142.9 Ų142.964%0.64479%0.787SS**  cis-154.31254.4-99.5159.7000105.4
47E28.7Very low33.2Very low169 Ų169149.6 Ų149.679%0.7980%0.801SS**  47.6107.4100.5-155.9164.6-162.200117.4
48T32.1Very low32.6Very low136 Ų136150 Ų15083%0.83480%0.803SS**  trans-159.4111.9133.97.90000113
49R29.6Very low31.9Very low219 Ų219155.2 Ų155.283%0.82681%0.808SS**  trans50.7113.2140.2-79.6-177.9172.2178.1-1.2122.6
50R27.4Very low31.5Very low226 Ų226152.7 Ų152.785%0.85380%0.801SS**  52123.2122.7-73-173.2179.1-175.1-0.1118.6
51L27.9Very low31Very low173 Ų173154.4 Ų154.491%0.90680%0.802SS**  -161.6120.4106.9-86.6177000109.6
52L29.6Very low30.5Very low162 Ų162156.8 Ų156.885%0.84880%0.801SS**  trans-116.7164.7158.8-87.1175.8000105.6
53P38.7Very low30.2Very low111 Ų111155.1 Ų155.172%0.72180%0.8SS**  cis-142.4-176.437.329.9-2.2000113
54V31Very low29.9Very low109 Ų109151.7 Ų151.766%0.66180%0.797SS**  -173.113556.7167.20000110.2
55Q32.3Very low29.8Very low195 Ų195151.1 Ų151.191%0.91180%0.799SS**  trans22.6144.2144.6-59.1165-30.900121.7
56G27.4Very low29.7Very low69 Ų69151.3 Ų151.371%0.71180%0.802SS**  cis162.7159.32.700000113.1
57K30.8Very low29.6Very low220 Ų220153.6 Ų153.696%0.95781%0.809SS**  172.4137.4121.8-98.6-179.9179177.70109
58Q28.3Very low29.8Very low182 Ų182151.4 Ų151.485%0.8581%0.81SS**  trans-130.3161.8-166.7-165.5-179.314.200108.2
59R33.1Very low29.6Very low225 Ų225149.9 Ų149.985%0.84980%0.804SS**  trans123135.9152.3-72.5-179.6173.7-171.2-2.5112.3
60A29.6Very low30.6Very low79 Ų79145 Ų14565%0.65380%0.802SS**  cis-159.1135.311.500000109.3
61I29.8Very low31.3Very low149 Ų149140.7 Ų140.776%0.76480%0.802SS**  72.9140.191.1-58.4163.9000112.7
62M27.8Very low31.2Very low178 Ų178136.3 Ų136.388%0.87780%0.8SS**  cis176.8152.5-28.8-155.5-139.5-62.800105.6
63G28.2Very low31.2Very low67 Ų67132.1 Ų132.169%0.69180%0.795SS**  trans108.6149.5146.400000115.9
64A28Very low30.7Very low103 Ų103134.3 Ų134.385%0.85180%0.8SS**  cis-170.3152.1-14.300000105.8
65A27.7Very low30.7Very low92 Ų92136.1 Ų136.176%0.7681%0.806SS**  trans-76.2149.9177.500000112.8
66H26.6Very low30.6Very low190 Ų190131.6 Ų131.688%0.8880%0.802SS**  trans-170.8127.3136.1-111.72.5000112.5
67E26.6Very low30.8Very low171 Ų171140.1 Ų140.180%0.79981%0.813SS**  trans-100.6152.7149.8-89.5-153.8162.300108.8
68P32.8Very low30.8Very low123 Ų123139.1 Ų139.180%0.79981%0.812SS**  -137.4159.9125.931.5-15000114.5
69S28.8Very low30.7Very low104 Ų104133.6 Ų133.673%0.72780%0.803SS**  trans-80.3-179-168.6-35.30000115.4
70P50.4Low30.5Very low118 Ų118130.9 Ų130.977%0.76681%0.805SS**  trans-96.3-178.1-14842.9-41.2000115.5
71P42Very low30.2Very low134 Ų134132 Ų13287%0.8781%0.808SS**  -154172.299.938.2-19.4000116.3
72G26.5Very low30.1Very low82 Ų82136.8 Ų136.885%0.84582%0.816SS**  trans133.2110.6152.200000115.8
73G28Very low30.1Very low74 Ų74132.8 Ų132.876%0.76381%0.812SS**  trans-98.1-165.5179.300000115.8
74L30.1Very low30.4Very low157 Ų157138.4 Ų138.482%0.82282%0.82SS**  trans102.2114.7164.6-64.3160.4000118
75D30.9Very low31.3Very low146 Ų146139.2 Ų139.278%0.78182%0.816SS**  trans60.7119.1136.9-61.6-21.9000121.3
76A30.1Very low31.5Very low101 Ų101139.6 Ų139.684%0.83582%0.819SS**  -179.9131.890.700000111.8
77R30.9Very low31.5Very low247 Ų247135.5 Ų135.593%0.93281%0.812SS**  trans-72.6140.9162.6-70177.3173.5-173.5-1.3109.8
78Q30.2Very low31.7Very low200 Ų200132.2 Ų132.294%0.93581%0.808SS**  trans-162.5128134.5-114.6169.816.300110.3
79G27.9Very low31.5Very low65 Ų65135.6 Ų135.667%0.6781%0.81SS**  trans-96.9174.6171.900000112.3
80L27.1Very low31.4Very low168 Ų168140.4 Ų140.488%0.8882%0.821SS**  trans168112.6143.8-107108.7000105.7
81S24.8Very low30.5Very low103 Ų103139.1 Ų139.172%0.7282%0.82SS**  84.1128.479.2-78.80000115.8
82R27.9Very low29.6Very low249 Ų249136.2 Ų136.294%0.9482%0.815SS**  trans77.3142.8160.6-66.9175170.4173.6-3.5116.5
83A26.7Very low30.8Very low95 Ų95138.9 Ų138.979%0.78582%0.817SS**  cis-155.3151.520.900000111.8
84H35.3Very low30.7Very low185 Ų185139.3 Ų139.386%0.85682%0.822SS**  trans-82.9168.4151.6-75.7-68.7000109.3
85P46.7Very low30.7Very low120 Ų120139.4 Ų139.478%0.77982%0.823SS**  -152.5162.891.836.3-16.3000117.4
86A30.8Very low31.5Very low99 Ų99137.5 Ų137.582%0.81882%0.819SS**  trans76.8136.6145.700000119
87S27.7Very low31.5Very low105 Ų105141.1 Ų141.173%0.73482%0.818SS**  cis-163.3138.123.651.20000114.7
88S29.6Very low31.4Very low101 Ų101138.5 Ų138.571%0.70681%0.814SS**  trans49.5120.2137.756.20000121.8
89F28.4Very low31.2Very low195 Ų195140.5 Ų140.586%0.85581%0.813SS**  66.6120.756.8-77.4-75.7000117.6
90H28.2Very low31.3Very low204 Ų204141.1 Ų141.194%0.94481%0.811SS**  -158.7150.7126.3-103.7-65.2000111.5
91A30.1Very low31.3Very low91 Ų91142.1 Ų142.175%0.75281%0.812SS**  trans-131.4149.3-158.500000114
92G23.9Very low31.2Very low74 Ų74142.7 Ų142.776%0.76382%0.816SS**  trans69.8-177.1140.400000120.7
93P52.2Low31.1Very low138 Ų138139.7 Ų139.790%0.89681%0.812SS**  cis-142.1-178.7-36.537.2-18.8000113.6
94G26Very low31Very low83 Ų83144.3 Ų144.386%0.85682%0.817SS**  trans171.1108.8162.300000117.4
95D30Very low30.4Very low159 Ų159138.3 Ų138.385%0.8581%0.806SS**  trans-135.4160.2158.4-142.89.4000104.1
96P47.6Very low29.4Very low105 Ų105142.2 Ų142.268%0.68281%0.811SS**  cis-150.6-179.238.138.4-14.9000116.1
97Q29.2Very low29.2Very low178 Ų178146 Ų14683%0.83281%0.811SS**  172.8148.8122.4-131.9159.2-33.500115.6
98K29Very low29.1Very low191 Ų191149.6 Ų149.683%0.8382%0.816SS**  trans-94.3155.6-179.9-74.5173.7170.1175.70114.4
99W26.8Very low28.8Very low242 Ų242152.2 Ų152.292%0.91782%0.817SS**  trans-167.5117.3137.5-103-60.9000107
100A28.4Very low28.6Very low78 Ų78150.3 Ų150.365%0.64581%0.811SS**  83.9124.670.800000116.7
101Q27.1Very low28.4Very low190 Ų190148.7 Ų148.789%0.88880%0.802SS**  trans73.6114.9146-73.4170.2-30.100123.1
102S23.9Very low28.2Very low114 Ų114154.8 Ų154.880%0.79781%0.812SS**  170.5104.5113.366.40000109.5
103Q24.7Very low28.1Very low187 Ų187155.2 Ų155.287%0.87480%0.803SS**  38.1110.396.3-86.4-169-1600118.1
104H26Very low26.7Very low191 Ų191153.2 Ų153.288%0.88479%0.792SS**  trans173.6114.7134.3-93.3-66.9000104.8
105G23.1Very low26.7Very low60 Ų60157.7 Ų157.762%0.61979%0.791SS**  cis90.589.633.900000108.7
106F25.1Very low26.5Very low201 Ų201156.9 Ų156.988%0.88279%0.792SS**  trans-167.8101.5147.6-100.2-70000109.7
107E25.3Very low25.3Very low178 Ų178155 Ų15583%0.83279%0.79SS**  trans-78.4146.5151.3-69.6179.5145.700108.5
108H25.6Very low25.1Very low181 Ų181158.2 Ų158.284%0.83880%0.795SS**  trans-159.2113.6138.2-108.5-65.8000110.1
109E24.3Very low25Very low156 Ų156158.9 Ų158.973%0.72980%0.798SS**  trans-38.8160.5144.1-67.7-177.9145.500112.3
110E25.2Very low24.9Very low156 Ų156153.3 Ų153.373%0.72980%0.796SS**  cis-177.1155.140-139.7170.1-167.200109.7
111F23.4Very low24.8Very low169 Ų169158.5 Ų158.574%0.74181%0.807SS**  trans28.3130.6142.3-90.3-109.8000123.1
112F24.8Very low24.6Very low219 Ų219154.5 Ų154.596%0.96180%0.8SS**  -145130.4122.6-99.9-77.7000110.8
113S22.2Very low24.7Very low84 Ų84153.5 Ų153.559%0.58780%0.799SS**  trans-104.6146.4175.2169.10000111.3
114S23.7Very low24.7Very low95 Ų95153.7 Ų153.766%0.66480%0.797SS**  trans68.9123.4149.466.40000120
115Q25.4Very low24.7Very low178 Ų178155.3 Ų155.383%0.83280%0.797SS**  -179.5131.183-87.3-171.1-3.600113.2
116V25.3Very low25Very low142 Ų142157.6 Ų157.686%0.86180%0.801SS**  trans49.8115.1131.6-170.20000120.9
117G22.8Very low25.3Very low64 Ų64156.9 Ų156.966%0.6680%0.8SS**  127.995.8118.600000118.7
118R26.1Very low25.2Very low246 Ų246155.3 Ų155.393%0.92880%0.798SS**  168.6112.7111.8-94.5177.5173.1179.6-1.3113.4
119K24.9Very low25.5Very low205 Ų205154.1 Ų154.189%0.89180%0.797SS**  trans31.2115.7136.6-62.2-177.7178.3-177.10119.2
120S26.1Very low25.5Very low126 Ų126152.9 Ų152.988%0.88180%0.796SS**  -146145.1119.7-158.80000110.2
121Q25.6Very low25.6Very low187 Ų187156.1 Ų156.187%0.87480%0.803SS**PPolyproline II helixtrans-73.2131-154.5-70.7163-2900113.6
122S24.2Very low25.8Very low105 Ų105157 Ų15773%0.73481%0.807SS**PPolyproline II helixtrans-67.4121.5159.650.70000110
123A24.5Very low26.3Very low94 Ų94155.5 Ų155.578%0.77780%0.8SS**PPolyproline II helixtrans-96.4117.4160.500000108
124F25.3Very low26.7Very low191 Ų191157 Ų15784%0.83882%0.817SS**PPolyproline II helixtrans-61.6141.1166.1-89.9-106.2000109.9
125Y27Very low27.2Very low224 Ų224156.2 Ų156.288%0.87882%0.817SS**PPolyproline II helixtrans-70.4139.3168.9-76.6-94.9000110.4
126P28.3Very low27.3Very low108 Ų108151.7 Ų151.770%0.70182%0.818SS**PPolyproline II helixtrans-93.4132.2137.65.614.2000108.5D128P126-D128 PolarHBondContact O-N 3.3Å
127E30.6Very low27.4Very low187 Ų187153.7 Ų153.787%0.87482%0.818SS**PPolyproline II helixtrans-54.6126.2154.4-69.8175.5137.700108.6
128D24.8Very low27.8Very low145 Ų145156.2 Ų156.278%0.77582%0.823SS**  trans-152.487.7156.7-89.7-33.7000105.3P126 D130P126-D128 PolarHBondContact O-N 3.3Å; D128-D130 PolarHBondContact O-N 3.23Å
129D30.1Very low27.7Very low155 Ų155147.6 Ų147.683%0.82981%0.81SS**  trans-76.392.9167.1-91-32.5000108.3
130D26.1Very low27.6Very low130 Ų130150 Ų15070%0.69581%0.814SS**  trans-140.272.4162.8-94.6-31.6000109.5D128 F132D128-D130 PolarHBondContact O-N 3.23Å; D130-F132 VanDerWaalsContact C-N 3.35Å; D130-F132 PolarHBondContact O-N 3.11Å
131Y27.5Very low27.5Very low225 Ų225152.3 Ų152.388%0.88281%0.811SS**  trans-88.878.7164.1-84.6-75.7000109.9F133Y131-F133 PolarHBondContact O-N 2.96Å
132F26.7Very low27.5Very low187 Ų187148.7 Ų148.782%0.8281%0.806SS**  trans-68.2120.7169.6-108.2-95.6000110.9D130 A134D130-F132 VanDerWaalsContact C-N 3.35Å; D130-F132 PolarHBondContact O-N 3.11Å; F132-A134 PolarHBondContact O-N 2.9Å
133F35.3Very low27.7Very low187 Ų187152 Ų15282%0.8281%0.81SS**  trans-56.3126155.7-85.5-101.7000108.6Y131 A135Y131-F133 PolarHBondContact O-N 2.96Å; F133-A135 PolarHBondContact O-N 3.4Å
134A30.1Very low27.7Very low115 Ų115153.5 Ų153.595%0.9581%0.809SS**  trans-69.684.916800000109.4F132F132-A134 PolarHBondContact O-N 2.9Å
135A33.7Very low27.7Very low80 Ų80153.7 Ų153.766%0.66181%0.813SS**  trans-115.4108.4164.500000107.4F133 Q137F133-A135 PolarHBondContact O-N 3.4Å; A135-Q137 PolarHBondContact O-N 3.27Å
136G27.9Very low27.6Very low83 Ų83146.8 Ų146.886%0.85681%0.81SS**PPolyproline II helixtrans-65.3119.4168.200000109.2
137Q28.7Very low27.5Very low183 Ų183147.9 Ų147.986%0.85582%0.815SS**PPolyproline II helixtrans-77.6142.7165.9-72.9-165.5-34.500109.9A135A135-Q137 PolarHBondContact O-N 3.27Å
138P30.5Very low27.3Very low118 Ų118147.5 Ų147.577%0.76682%0.817SS**PPolyproline II helixtrans-75.1126.1164.9-3.920.9000109.5
139G24.4Very low27.3Very low64 Ų64143.9 Ų143.966%0.6681%0.814SS**PPolyproline II helixtrans-63.4141.2169.600000111.5H141G139-H141 PolarHBondContact O-N 2.67Å
140W21.7Very low27.1Very low257 Ų257146.6 Ų146.697%0.97382%0.819SS**  trans-72.5116170.8-73.449.1000108.9
141H25.5Very low27.3Very low173 Ų173146.4 Ų146.480%0.80183%0.825SS**  trans-119.2114.1164.1-73.7-59.2000109.2G139G139-H141 PolarHBondContact O-N 2.67Å
142S25.7Very low27.4Very low111 Ų111141.2 Ų141.278%0.77682%0.821SS**  trans-68.6126.516267.20000108.4
143H26.6Very low27.8Very low176 Ų176138.1 Ų138.182%0.81582%0.82SS**  trans-144.7121.1151.8-95-64.5000112.1
144T24.3Very low27.3Very low124 Ų124141.2 Ų141.276%0.76183%0.827SS**  trans-29.5136.4158.641.30000117.7
145Q26.2Very low27.3Very low196 Ų196145 Ų14592%0.91683%0.825SS**  trans24120.4139.3-105.7172.60.200119.4
146G25.3Very low27.7Very low79 Ų79147.1 Ų147.181%0.81483%0.832SS**  trans-163.693164.100000111.4
147T24.9Very low27.6Very low131 Ų131146.6 Ų146.680%0.80483%0.826SS**  trans-57.8136.7173.2-37.90000111.6
148L27.8Very low28.2Very low178 Ų178143.6 Ų143.693%0.93282%0.822SS**  trans-166.7139.3145.9-103.9145.1000112.4
149G25.4Very low28.2Very low69 Ų69149.6 Ų149.671%0.71183%0.83SS**  trans-74.5152.7-159.300000116.8
150F24.2Very low28.4Very low212 Ų212154.4 Ų154.493%0.9384%0.84SS**  trans-77.5150.3163.7-77.2-90.3000111.3
151P31Very low28.7Very low126 Ų126145.7 Ų145.782%0.81883%0.831SS**  trans-122.1141.8139.518.10.9000112.9
152S29.2Very low28.9Very low116 Ų116142.5 Ų142.581%0.81183%0.834SS**  trans-79.6157.7179-151.50000112
153P35.6Very low29Very low123 Ų123146.9 Ų146.980%0.79984%0.84SS**  trans-90.6146.8-176.532.7-26.2000113.2
154R25.7Very low29.6Very low252 Ų252144.8 Ų144.895%0.95184%0.841SS**  trans-115.8138168.4-88.1-174.7175.8170-0.7111.1
155E29.7Very low29.7Very low194 Ų194143.6 Ų143.691%0.90784%0.844SS**  trans-79.8172.5173.3-97.7-166.5166.300113.6
156P42.1Very low29.9Very low125 Ų125139 Ų13981%0.81284%0.84SS**  trans-104.9168.9-149.940-34.2000115.7
157G26.3Very low30Very low71 Ų71144.2 Ų144.273%0.73284%0.843SS**  trans-147.7145167.100000112
158P41.4Very low30.2Very low120 Ų120144 Ų14478%0.77984%0.841SS**  trans-104161.6-171.739.1-32000113.4
159R30.1Very low30.2Very low245 Ų245144 Ų14493%0.92584%0.837SS**  trans-178.6151.7140.9-101.4164.8-171-157.92.7114.2
160D28.4Very low30.4Very low164 Ų164152.3 Ų152.388%0.87785%0.846SS**  trans-66.9165.6-170-55.3-71.3000117.1
161G27.9Very low30.5Very low75 Ų75154 Ų15477%0.77385%0.847SS**  trans158.289.2154.700000117.6
162A28.7Very low30.3Very low106 Ų106159.9 Ų159.988%0.87685%0.852SS**  trans43.9131.1139.800000123.6
163F29Very low30.3Very low203 Ų203161.1 Ų161.189%0.8986%0.855SS**  trans-66.5167.4164.3-69.3-92.3000113.5
164P38.1Very low30Very low131 Ų131164.5 Ų164.585%0.85186%0.857SS**  -141.4167.485.830-9.1000115.9
165A27.7Very low30.1Very low99 Ų99162 Ų16282%0.81885%0.853SS**  trans-74.7155.9-17100000116
166A28.7Very low30Very low101 Ų101164.3 Ų164.384%0.83585%0.854SS**  trans-146.3118.5148.100000110.4
167Q27.7Very low29.4Very low188 Ų188167.7 Ų167.788%0.87986%0.858SS**  trans-68.7154.6163.1-71173.1-27.200109.7
168V29.2Very low29.4Very low125 Ų125176 Ų17676%0.75887%0.867SS**  -177119127.1151.20000111.7
169Q28.8Very low29Very low179 Ų179182.2 Ų182.284%0.83688%0.875SS**  trans61.1116.3141-63.8175.4-1500124.1
170R28.6Very low28.9Very low244 Ų244179.5 Ų179.592%0.92187%0.873SS**  trans-38.3140.1147.9-66.7170.2166.9176-2.8114.7
171R27.7Very low29.2Very low247 Ų247183.7 Ų183.793%0.93288%0.876SS**  trans-141.6116.4136.7-98-176.8174.7-177.6-1.6111
172R26.5Very low29.1Very low249 Ų249191.2 Ų191.294%0.9488%0.882SS**  trans-88.2130.6165-86.4178.4169.7174.4-2.9108.2
173V29.3Very low29.2Very low143 Ų143191.8 Ų191.887%0.86788%0.879SS**  trans-131.3133.8158.1178.60000108.2
174K29.3Very low29.1Very low194 Ų194190.8 Ų190.884%0.84388%0.877SS**  trans-103.5155.4-173.6-110.1-178.4178.8178.60110.7
175K27.7Very low28.5Very low199 Ų199190.4 Ų190.487%0.86587%0.872SS**  trans77.5131.7167.9-66.3175.9174178.90113.8
176R26.6Very low28.5Very low243 Ų243193.3 Ų193.392%0.91787%0.872SS**  -164145.853.1-146.7171.7166.9179.2-5.7110.3
177H30Very low28.4Very low196 Ų196197.5 Ų197.591%0.90788%0.875SS**  trans-59.3133.8171.6-77.6-64.6000112.4
178R27.4Very low28.4Very low244 Ų244197.5 Ų197.592%0.92188%0.875SS**  trans-149121.2147.1-148.8172.4176.5177.3-2.3109.3
179R32.5Very low28.3Very low252 Ų252195 Ų19595%0.95188%0.875SS**  trans-56.8130173.8-78.9173.2163.9174.5-5.5109.8
180Q28.1Very low28.7Very low188 Ų188193.8 Ų193.888%0.87987%0.874SS**  trans-142113.1157.5-139.91681.200108.7R182Q180-R182 PolarHBondContact O-N 3.35Å
181R33.8Very low28.9Very low251 Ų251187.7 Ų187.795%0.94786%0.86SS**  trans-50.2121.9166.4-93.9170.2145.8178.9-7.7108.4
182R26Very low29.4Very low234 Ų234178.6 Ų178.688%0.88384%0.843SS**  trans-122.2112159.5-97.1-177.4170.8-178.9-3.3107.8Q180 H184Q180-R182 PolarHBondContact O-N 3.35Å; R182-H184 PolarHBondContact O-N 3.24Å
183S30.3Very low29.8Very low117 Ų117174.2 Ų174.282%0.81884%0.838SS**  trans-52.1113.8161.441.40000109.1
184H26.8Very low30.3Very low183 Ų183177.1 Ų177.185%0.84783%0.833SS**  trans-93.4111.1167.5-122.8-78.9000107.6R182 L186R182-H184 PolarHBondContact O-N 3.24Å; H184-L186 PolarHBondContact O-N 3.18Å
185V26.1Very low30.9Very low122 Ų122175.6 Ų175.674%0.73983%0.834SS**  trans-58.2125.3163.9173.70000107E187V185-E187 PolarHBondContact O-N 2.89Å
186L27.4Very low31.7Very low160 Ų160176 Ų17684%0.83883%0.831SS**  trans-74110.4167-76.9156.8000106.4H184 E188H184-L186 PolarHBondContact O-N 3.18Å; L186-E188 PolarHBondContact O-N 2.88Å
187E26.6Very low32.6Very low190 Ų190168.9 Ų168.989%0.88882%0.819SS**  trans-73.2103.6154.6-83.4-169.315100106.7V185 G189V185-E187 PolarHBondContact O-N 2.89Å; E187-G189 PolarHBondContact O-N 2.01Å; E187-G189 VanDerWaalsContact O-N 3.1Å
188E28.4Very low34.1Very low188 Ų188162.2 Ų162.288%0.87979%0.794SS**  trans-63100.6159.5-80.8176.7144.900107.7L186 D190L186-E188 PolarHBondContact O-N 2.88Å; E188-D190 PolarHBondContact O-N 3.22Å; E188-D190 VanDerWaalsContact O-N 3.17Å
189G27.5Very low36.6Very low73 Ų73151.5 Ų151.575%0.75376%0.755SS**  trans-70.799157.800000108.2E187 D191E187-G189 PolarHBondContact O-N 2.01Å; E187-G189 VanDerWaalsContact O-N 3.1Å; G189-D191 VanDerWaalsContact C-N 3.34Å; G189-D191 PolarHBondContact O-N 2.8Å
190D37.2Very low39.2Very low152 Ų152142.6 Ų142.681%0.81373%0.731SS**  trans-55.992.6163.4-177.228.3000109.7E188 G192E188-D190 PolarHBondContact O-N 3.22Å; E188-D190 VanDerWaalsContact O-N 3.17Å; D190-G192 PolarHBondContact OD1-N 2.81Å
191D32.8Very low42.1Very low117 Ų117143.3 Ų143.363%0.62673%0.726SS**  trans-109.652.2162.4-161.320.5000107.5G189 D193G189-D191 VanDerWaalsContact C-N 3.34Å; G189-D191 PolarHBondContact O-N 2.8Å; D191-D193 PolarHBondContact O-N 2.98Å
192G37.4Very low45Very low56 Ų56134.2 Ų134.258%0.57770%0.704SS**THydrogen-bonded Turntrans-83.651.5177.700000112.7D190D190-G192 PolarHBondContact OD1-N 2.81Å
193D35.7Very low48.2Very low157 Ų157123.7 Ų123.784%0.8467%0.665SS**THydrogen-bonded Turntrans-157.335.9169.1-105.4-18.3000114D191 L195D191-D193 PolarHBondContact O-N 2.98Å; D193-L195 PolarHBondContact O-N 2.8Å
194R38.5Very low51.3Low204 Ų204118.5 Ų118.577%0.7763%0.628SS**  trans-86.797.7163.8-89.3-178.3171171.61.4110.7Y196R194-Y196 PolarHBondContact O-N 3.02Å
195L42.3Very low54.6Low162 Ų162115.6 Ų115.685%0.84861%0.61SS**  trans10.598.5138-130.784.1000112.3D193 S197D193-L195 PolarHBondContact O-N 2.8Å; L195-S197 PolarHBondContact O-N 3.23Å
196Y44Very low58Low206 Ų206115.8 Ų115.881%0.80860%0.597SS**  trans-52.6114.7175-98.9-93.3000108.1R194 S198R194-Y196 PolarHBondContact O-N 3.02Å; Y196-S198 PolarHBondContact O-N 3.26Å
197S46.5Very low61.2Low95 Ų95108.2 Ų108.266%0.66456%0.558SS**  trans-68127.6-160-166.10000111.1L195L195-S197 PolarHBondContact O-N 3.23Å
198S60.5Low64.6Low55 Ų5599.3 Ų99.339%0.38552%0.516SS..  trans-38145.9160.773.90000111.1Y196 S200 Q462Y196-S198 PolarHBondContact O-N 3.26Å; S198-S200 PolarHBondContact O-N 2.8Å; S198-S200 VanDerWaalsContact O-N 3.08Å; S198-Q462 VanDerWaalsContact CB-NE2 3.33Å; S198-Q462 PolarHBondContact OG-NE2 3Å; S198-Q462 VanDerWaalsContact OG-NE2 3.17Å
199M80.2Confident67.8Low20 Ų2097.3 Ų97.310%0.09950%0.504CS..SBendtrans-39.9119-177.7-175.9-172-50.700111.7R201 F203 L204 L207 P458 Q462 T478 L479M199-R201 PolarHBondContact O-N 2.72Å; M199-F203 HydrophobicContact CG-CB 4Å; M199-F203 HydrophobicContact CG-CD1 3.47Å; M199-F203 VanDerWaalsContact CG-CD1 3.47Å; M199-F203 HydrophobicContact CG-CE1 4.25Å; M199-F203 HydrophobicContact CG-CG 3.99Å; M199-F203 HydrophobicContact SD-CD1 3.42Å; M199-F203 WeakPolarHBondContact SD-CD1 3.44Å; M199-F203 HydrophobicContact SD-CE1 3.89Å; M199-F203 HydrophobicContact SD-CG 4.46Å; M199-L204 HydrophobicContact SD-CB 4.07Å; M199-L204 HydrophobicContact SD-CD1 3.94Å; M199-L207 HydrophobicContact SD-CD2 4.33Å; M199-P458 HydrophobicContact CE-CG 4.13Å; M199-Q462 HydrophobicContact CB-CG 4.41Å; M199-Q462 VanDerWaalsContact CB-OE1 3.27Å; M199-Q462 VanDerWaalsContact N-OE1 3.12Å; M199-Q462 PolarHBondContact O-NE2 3.39Å; M199-T478 HydrophobicContact CE-CG2 3.72Å; M199-L479 HydrophobicContact CE-CD1 4.1Å; M199-L479 HydrophobicContact CE-CD2 3.42Å; M199-L479 VanDerWaalsContact CE-CD2 3.42Å; M199-L479 HydrophobicContact CE-CG 3.8Å; M199-L479 HydrophobicContact SD-CD2 4.38Å
200S87Confident70.9Confident65 Ų6595.2 Ų95.246%0.45548%0.483SS..  trans-55.3141.2-175.973.70000110.4S198 A202 F203 L204S198-S200 PolarHBondContact O-N 2.8Å; S198-S200 VanDerWaalsContact O-N 3.08Å; S200-A202 PolarHBondContact O-N 2.97Å; S200-A202 VanDerWaalsContact O-N 3.11Å; S200-F203 WeakPolarHBondContact O-CA 3.38Å; S200-F203 WeakPolarHBondContact O-CB 3.07Å; S200-F203 PolarHBondContact O-N 3.04Å; S200-F203 WeakPolarHBondContact OG-CB 3.49Å; S200-F203 PolarHBondContact OG-N 3.1Å; S200-F203 VanDerWaalsContact OG-N 3.17Å; S200-L204 PolarHBondContact O-N 3.4Å
201R90.2Very high73.6Confident203 Ų20393 Ų9377%0.76647%0.471SS*.Hα-helixtrans-52.4-38.8178.1-70.9-175.7175.7-170.6-1111.3M199 F203 L204 Y205M199-R201 PolarHBondContact O-N 2.72Å; R201-F203 PolarHBondContact O-N 2.69Å; R201-L204 PolarHBondContact O-N 3.19Å; R201-Y205 HydrophobicContact CB-CD2 4.48Å; R201-Y205 HydrophobicContact CB-CE2 4.3Å; R201-Y205 WeakPolarHBondContact O-CD2 3.01Å; R201-Y205 PolarHBondContact O-N 2.86Å
202A92.9Very high76.5Confident59 Ų5988 Ų8849%0.48845%0.445SS..Hα-helixtrans-60.9-41.7176.100000113S200 R206S200-A202 PolarHBondContact O-N 2.97Å; S200-A202 VanDerWaalsContact O-N 3.11Å; A202-R206 WeakPolarHBondContact O-CG 3.36Å; A202-R206 PolarHBondContact O-N 2.9Å; A202-R206 VanDerWaalsContact O-N 3.15Å
203F94.7Very high79.2Confident13 Ų1386.5 Ų86.56%0.05743%0.426CS..Hα-helixtrans-64.1-46.3173.8-174.1-73.3000110.8M199 S200 R201 Y205 R206 L207 V212 M216 L217 L479 L486M199-F203 HydrophobicContact CG-CB 4Å; M199-F203 HydrophobicContact CG-CD1 3.47Å; M199-F203 VanDerWaalsContact CG-CD1 3.47Å; M199-F203 HydrophobicContact CG-CE1 4.25Å; M199-F203 HydrophobicContact CG-CG 3.99Å; M199-F203 HydrophobicContact SD-CD1 3.42Å; M199-F203 WeakPolarHBondContact SD-CD1 3.44Å; M199-F203 HydrophobicContact SD-CE1 3.89Å; M199-F203 HydrophobicContact SD-CG 4.46Å; S200-F203 WeakPolarHBondContact O-CA 3.38Å; S200-F203 WeakPolarHBondContact O-CB 3.07Å; S200-F203 PolarHBondContact O-N 3.04Å; S200-F203 WeakPolarHBondContact OG-CB 3.49Å; S200-F203 PolarHBondContact OG-N 3.1Å; S200-F203 VanDerWaalsContact OG-N 3.17Å; R201-F203 PolarHBondContact O-N 2.69Å; F203-Y205 PolarHBondContact O-N 2.85Å; F203-R206 CarbonylContact O-C 3.52Å; F203-R206 WeakPolarHBondContact O-CB 3.28Å; F203-R206 PolarHBondContact O-N 2.89Å; F203-R206 VanDerWaalsContact O-N 3.11Å; F203-L207 HydrophobicContact CD1-CB 4.48Å; F203-L207 HydrophobicContact CE1-CB 4.35Å; F203-L207 PolarHBondContact O-N 2.89Å; F203-V212 HydrophobicContact CD1-CG1 4.43Å; F203-V212 HydrophobicContact CE1-CG1 4.11Å; F203-V212 HydrophobicContact CE2-CG1 4.29Å; F203-V212 HydrophobicContact CZ-CB 4.24Å; F203-V212 HydrophobicContact CZ-CG1 4.04Å; F203-M216 HydrophobicContact CD2-CB 3.92Å; F203-M216 HydrophobicContact CD2-CE 3.93Å; F203-M216 WeakPolarHBondContact CD2-O 3.45Å; F203-M216 HydrophobicContact CE2-CB 3.67Å; F203-M216 HydrophobicContact CE2-CE 4.32Å; F203-M216 WeakPolarHBondContact CE2-O 3.33Å; F203-L217 HydrophobicContact CE2-CD2 4.36Å; F203-L217 HydrophobicContact CZ-CD2 4.09Å; F203-L479 HydrophobicContact CE1-CD1 4.48Å; F203-L479 HydrophobicContact CE1-CD2 3.58Å; F203-L479 HydrophobicContact CZ-CD1 4.48Å; F203-L479 HydrophobicContact CZ-CD2 3.92Å; F203-L486 HydrophobicContact CZ-CD1 4.18Å
204L95.3Very high82Confident8 Ų880.1 Ų80.14%0.04239%0.393CS..Hα-helixtrans-58.5-45.4179.3-177.464.7000112.1M199 S200 R201 R206 L207 W208 P458 Q462M199-L204 HydrophobicContact SD-CB 4.07Å; M199-L204 HydrophobicContact SD-CD1 3.94Å; S200-L204 PolarHBondContact O-N 3.4Å; R201-L204 PolarHBondContact O-N 3.19Å; L204-R206 VanDerWaalsContact C-N 3.32Å; L204-R206 PolarHBondContact O-N 2.78Å; L204-L207 WeakPolarHBondContact O-CB 2.99Å; L204-L207 PolarHBondContact O-N 2.94Å; L204-W208 HydrophobicContact CD1-CZ2 3.83Å; L204-W208 HydrophobicContact CD2-CH2 3.52Å; L204-W208 HydrophobicContact CD2-CZ2 3.41Å; L204-W208 VanDerWaalsContact CD2-CZ2 3.41Å; L204-W208 HydrophobicContact CD2-CZ3 4.33Å; L204-W208 HydrophobicContact CG-CD2 4.15Å; L204-W208 HydrophobicContact CG-CE3 4.43Å; L204-W208 HydrophobicContact CG-CH2 3.77Å; L204-W208 HydrophobicContact CG-CZ2 3.45Å; L204-W208 VanDerWaalsContact CG-CZ2 3.45Å; L204-W208 HydrophobicContact CG-CZ3 4.24Å; L204-W208 PolarHBondContact O-N 2.8Å; L204-P458 HydrophobicContact CD1-CB 4.37Å; L204-P458 HydrophobicContact CD1-CG 3.78Å; L204-Q462 HydrophobicContact CD2-CG 4.02Å
205Y95.4Very high84.7Confident122 Ų12278.5 Ų78.548%0.47839%0.392SS..Hα-helixtrans-60-41.5174.7-78.9-66.6000112.4R201 F203 L207 W208 K209R201-Y205 HydrophobicContact CB-CD2 4.48Å; R201-Y205 HydrophobicContact CB-CE2 4.3Å; R201-Y205 WeakPolarHBondContact O-CD2 3.01Å; R201-Y205 PolarHBondContact O-N 2.86Å; F203-Y205 PolarHBondContact O-N 2.85Å; Y205-L207 VanDerWaalsContact C-N 3.35Å; Y205-W208 AromaticContact CD1-CE3 3.58Å; Y205-W208 HydrophobicContact CD1-CE3 3.58Å; Y205-W208 AromaticContact CD1-CZ3 3.56Å; Y205-W208 HydrophobicContact CD1-CZ3 3.56Å; Y205-W208 AromaticContact CE1-CE3 3.98Å; Y205-W208 HydrophobicContact CE1-CE3 3.98Å; Y205-W208 AromaticContact CE1-CZ3 3.49Å; Y205-W208 HydrophobicContact CE1-CZ3 3.49Å; Y205-W208 VanDerWaalsContact CE1-CZ3 3.49Å; Y205-W208 HydrophobicContact CG-CE3 4.28Å; Y205-W208 HydrophobicContact CG-CZ3 4.27Å; Y205-W208 PolarHBondContact O-N 3.12Å; Y205-K209 WeakPolarHBondContact O-CG 3.32Å; Y205-K209 PolarHBondContact O-N 3.03Å; Y205-K209 VanDerWaalsContact O-N 3.14Å
206R96.6Very high87.2Confident126 Ų12674 Ų7448%0.47537%0.367SS..Hα-helixtrans-66.8-36.8176.3-74.2176.4180-100.73111.9A202 F203 L204 K209 G210 N211 V212 M216A202-R206 WeakPolarHBondContact O-CG 3.36Å; A202-R206 PolarHBondContact O-N 2.9Å; A202-R206 VanDerWaalsContact O-N 3.15Å; F203-R206 CarbonylContact O-C 3.52Å; F203-R206 WeakPolarHBondContact O-CB 3.28Å; F203-R206 PolarHBondContact O-N 2.89Å; F203-R206 VanDerWaalsContact O-N 3.11Å; L204-R206 VanDerWaalsContact C-N 3.32Å; L204-R206 PolarHBondContact O-N 2.78Å; R206-K209 CarbonylContact O-C 3.53Å; R206-K209 PolarHBondContact O-N 3.27Å; R206-G210 PolarHBondContact O-N 3.41Å; R206-G210 VanDerWaalsContact O-N 3.13Å; R206-N211 PolarHBondContact O-N 3.01Å; R206-V212 HydrophobicContact CB-CG1 3.78Å; R206-M216 HydrophobicContact CB-CE 4.09Å; R206-M216 HydrophobicContact CG-CE 4.34Å
207L96.1Very high89.6Confident1 Ų164.6 Ų64.61%0.00533%0.331CS..Hα-helixtrans-62.8-46.2175.3178.763.6000110.7M199 F203 L204 Y205 K209 G210 V212 I457 P458 L486 K489M199-L207 HydrophobicContact SD-CD2 4.33Å; F203-L207 HydrophobicContact CD1-CB 4.48Å; F203-L207 HydrophobicContact CE1-CB 4.35Å; F203-L207 PolarHBondContact O-N 2.89Å; L204-L207 WeakPolarHBondContact O-CB 2.99Å; L204-L207 PolarHBondContact O-N 2.94Å; Y205-L207 VanDerWaalsContact C-N 3.35Å; L207-K209 PolarHBondContact O-N 3.16Å; L207-G210 PolarHBondContact O-N 3.42Å; L207-V212 HydrophobicContact CB-CG1 4.04Å; L207-V212 HydrophobicContact CD1-CG2 3.7Å; L207-I457 HydrophobicContact CD2-CG2 4.31Å; L207-I457 HydrophobicContact CG-CG2 4.27Å; L207-P458 HydrophobicContact CD2-CG 3.95Å; L207-L486 HydrophobicContact CD1-CD1 4.46Å; L207-K489 HydrophobicContact CD1-CB 4.3Å
208W96.9Very high91.8Very high3 Ų362.4 Ų62.41%0.01131%0.312CS..Hα-helixtrans-61.2-30.5175.2-66.9-25.6000113.7L204 Y205 G210 P458 V460 Q493 L503 Q504L204-W208 HydrophobicContact CD1-CZ2 3.83Å; L204-W208 HydrophobicContact CD2-CH2 3.52Å; L204-W208 HydrophobicContact CD2-CZ2 3.41Å; L204-W208 VanDerWaalsContact CD2-CZ2 3.41Å; L204-W208 HydrophobicContact CD2-CZ3 4.33Å; L204-W208 HydrophobicContact CG-CD2 4.15Å; L204-W208 HydrophobicContact CG-CE3 4.43Å; L204-W208 HydrophobicContact CG-CH2 3.77Å; L204-W208 HydrophobicContact CG-CZ2 3.45Å; L204-W208 VanDerWaalsContact CG-CZ2 3.45Å; L204-W208 HydrophobicContact CG-CZ3 4.24Å; L204-W208 PolarHBondContact O-N 2.8Å; Y205-W208 AromaticContact CD1-CE3 3.58Å; Y205-W208 HydrophobicContact CD1-CE3 3.58Å; Y205-W208 AromaticContact CD1-CZ3 3.56Å; Y205-W208 HydrophobicContact CD1-CZ3 3.56Å; Y205-W208 AromaticContact CE1-CE3 3.98Å; Y205-W208 HydrophobicContact CE1-CE3 3.98Å; Y205-W208 AromaticContact CE1-CZ3 3.49Å; Y205-W208 HydrophobicContact CE1-CZ3 3.49Å; Y205-W208 VanDerWaalsContact CE1-CZ3 3.49Å; Y205-W208 HydrophobicContact CG-CE3 4.28Å; Y205-W208 HydrophobicContact CG-CZ3 4.27Å; Y205-W208 PolarHBondContact O-N 3.12Å; W208-G210 VanDerWaalsContact C-N 3.3Å; W208-P458 PolarHBondContact NE1-O 3.26Å; W208-V460 HydrophobicContact CH2-CG1 3.71Å; W208-V460 HydrophobicContact CZ2-CG1 4.32Å; W208-Q493 WeakPolarHBondContact O-CG 3.44Å; W208-Q493 PolarHBondContact O-NE2 3.33Å; W208-L503 HydrophobicContact CB-CD2 4.16Å; W208-L503 HydrophobicContact CG-CD2 4.13Å; W208-L503 HydrophobicContact CG-CG 4.28Å; W208-Q504 HydrophobicContact CD2-CG 3.92Å; W208-Q504 HydrophobicContact CE3-CG 3.61Å; W208-Q504 HydrophobicContact CH2-CB 4.05Å; W208-Q504 HydrophobicContact CH2-CG 3.79Å; W208-Q504 HydrophobicContact CZ2-CB 4.25Å; W208-Q504 HydrophobicContact CZ2-CG 4.07Å; W208-Q504 HydrophobicContact CZ3-CB 4.29Å; W208-Q504 HydrophobicContact CZ3-CG 3.55Å
209K95.5Very high93.4Very high146 Ų14664.8 Ų64.864%0.63533%0.326SS*.THydrogen-bonded Turntrans-83.4-2.9174.5-66.1-64.6-175.2-177.90113.7Y205 R206 L207 N211Y205-K209 WeakPolarHBondContact O-CG 3.32Å; Y205-K209 PolarHBondContact O-N 3.03Å; Y205-K209 VanDerWaalsContact O-N 3.14Å; R206-K209 CarbonylContact O-C 3.53Å; R206-K209 PolarHBondContact O-N 3.27Å; L207-K209 PolarHBondContact O-N 3.16Å; K209-N211 VanDerWaalsContact C-N 3.28Å; K209-N211 PolarHBondContact O-N 2.93Å
210G93.3Very high94.1Very high29 Ų2970 Ų7030%0.29935%0.345SS..THydrogen-bonded Turntrans70.122.9-17700000113.9R206 L207 W208 L490R206-G210 PolarHBondContact O-N 3.41Å; R206-G210 VanDerWaalsContact O-N 3.13Å; L207-G210 PolarHBondContact O-N 3.42Å; W208-G210 VanDerWaalsContact C-N 3.3Å; G210-L490 VanDerWaalsContact C-CD2 3.5Å; G210-L490 WeakPolarHBondContact O-CD2 3.43Å
211N93.3Very high94.6Very high106 Ų10667 Ų6757%0.56732%0.323SS*.  trans-118.755.7-174.1-169.112.2000111.8R206 K209R206-N211 PolarHBondContact O-N 3.01Å; K209-N211 VanDerWaalsContact C-N 3.28Å; K209-N211 PolarHBondContact O-N 2.93Å
212V94.6Very high94.9Very high13 Ų1361.1 Ų61.18%0.07930%0.304CS..  trans-120.4155.7174.7-67.50000111F203 R206 L207 M216 L486 L490F203-V212 HydrophobicContact CD1-CG1 4.43Å; F203-V212 HydrophobicContact CE1-CG1 4.11Å; F203-V212 HydrophobicContact CE2-CG1 4.29Å; F203-V212 HydrophobicContact CZ-CB 4.24Å; F203-V212 HydrophobicContact CZ-CG1 4.04Å; R206-V212 HydrophobicContact CB-CG1 3.78Å; L207-V212 HydrophobicContact CB-CG1 4.04Å; L207-V212 HydrophobicContact CD1-CG2 3.7Å; V212-M216 HydrophobicContact CB-CE 4.5Å; V212-M216 HydrophobicContact CB-SD 4.38Å; V212-M216 HydrophobicContact CG1-CE 3.93Å; V212-M216 HydrophobicContact CG1-SD 4.41Å; V212-L486 HydrophobicContact CB-CD1 4.38Å; V212-L486 HydrophobicContact CG2-CD1 3.65Å; V212-L486 HydrophobicContact CG2-CG 4.38Å; V212-L490 HydrophobicContact CG2-CD1 4.17Å; V212-L490 HydrophobicContact CG2-CD2 3.48Å; V212-L490 VanDerWaalsContact CG2-CD2 3.48Å; V212-L490 HydrophobicContact CG2-CG 3.96Å
213S94.8Very high95.1Very high24 Ų2464.6 Ų64.617%0.16831%0.308CS..  trans-139.6157.2-177.4165.60000109.4K215 M216 E427S213-K215 PolarHBondContact O-N 3.18Å; S213-K215 VanDerWaalsContact O-N 3.12Å; S213-K215 PolarHBondContact OG-N 2.97Å; S213-M216 WeakPolarHBondContact O-CB 3.42Å; S213-M216 PolarHBondContact O-N 3.48Å; S213-E427 WeakPolarHBondContact CB-OE1 3.36Å; S213-E427 PolarHBondContact OG-OE1 3.14Å
214S94.2Very high95.2Very high23 Ų2365 Ų6516%0.16132%0.315CS..G310 helixtrans-53.5-31.6173.355.40000112.8M216 L217 Q222 M225 E427 Y487S214-M216 PolarHBondContact O-N 3.25Å; S214-M216 VanDerWaalsContact O-N 3.12Å; S214-L217 WeakPolarHBondContact O-CB 3.26Å; S214-L217 WeakPolarHBondContact O-CG 3.3Å; S214-L217 PolarHBondContact O-N 3.29Å; S214-Q222 WeakPolarHBondContact O-CG 3.35Å; S214-M225 VanDerWaalsContact CB-SD 3.54Å; S214-E427 WeakPolarHBondContact CB-OE2 3.45Å; S214-E427 PolarHBondContact N-OE2 3.41Å; S214-E427 PolarHBondContact OG-OE2 3.12Å; S214-Y487 WeakPolarHBondContact CB-OH 3.31Å
215K94.4Very high95.3Very high170 Ų17065.2 Ų65.274%0.73932%0.316SS*.G310 helixtrans-63-18.3178.1-63.2-178.7179.7-178.90114S213 Q222S213-K215 PolarHBondContact O-N 3.18Å; S213-K215 VanDerWaalsContact O-N 3.12Å; S213-K215 PolarHBondContact OG-N 2.97Å; K215-Q222 PolarHBondContact O-NE2 3.23Å
216M95.4Very high95.4Very high67 Ų6766.3 Ų66.333%0.3332%0.323SS..G310 helixtrans-94.2-5.8179.2-61.4171.653.800113F203 R206 V212 S213 S214F203-M216 HydrophobicContact CD2-CB 3.92Å; F203-M216 HydrophobicContact CD2-CE 3.93Å; F203-M216 WeakPolarHBondContact CD2-O 3.45Å; F203-M216 HydrophobicContact CE2-CB 3.67Å; F203-M216 HydrophobicContact CE2-CE 4.32Å; F203-M216 WeakPolarHBondContact CE2-O 3.33Å; R206-M216 HydrophobicContact CB-CE 4.09Å; R206-M216 HydrophobicContact CG-CE 4.34Å; V212-M216 HydrophobicContact CB-CE 4.5Å; V212-M216 HydrophobicContact CB-SD 4.38Å; V212-M216 HydrophobicContact CG1-CE 3.93Å; V212-M216 HydrophobicContact CG1-SD 4.41Å; S213-M216 WeakPolarHBondContact O-CB 3.42Å; S213-M216 PolarHBondContact O-N 3.48Å; S214-M216 PolarHBondContact O-N 3.25Å; S214-M216 VanDerWaalsContact O-N 3.12Å
217L94Very high95.4Very high9 Ų963.8 Ų63.85%0.04732%0.319CS..SBendtrans-69.2160.9175.1-64.1174.8000110.4F203 S214 L221 Q222 L479 L486F203-L217 HydrophobicContact CE2-CD2 4.36Å; F203-L217 HydrophobicContact CZ-CD2 4.09Å; S214-L217 WeakPolarHBondContact O-CB 3.26Å; S214-L217 WeakPolarHBondContact O-CG 3.3Å; S214-L217 PolarHBondContact O-N 3.29Å; L217-L221 HydrophobicContact CB-CB 4.13Å; L217-L221 HydrophobicContact CD1-CB 4.34Å; L217-L221 HydrophobicContact CD2-CD1 4.44Å; L217-Q222 HydrophobicContact CB-CG 3.93Å; L217-Q222 PolarHBondContact O-NE2 3Å; L217-L479 HydrophobicContact CD2-CB 4.01Å; L217-L479 HydrophobicContact CD2-CD1 4.02Å; L217-L479 HydrophobicContact CD2-CG 4.42Å; L217-L486 HydrophobicContact CD1-CD2 4.18Å; L217-L486 HydrophobicContact CD2-CD2 4.22Å; L217-L486 HydrophobicContact CG-CD2 4.25Å
218N92.2Very high95.5Very high48 Ų4867.5 Ų67.526%0.25733%0.333SS..  trans-64.8156.3171.470.838.9000110.8R220 L221 Q222N218-R220 PolarHBondContact O-N 3.48Å; N218-R220 PolarHBondContact OD1-N 3.42Å; N218-L221 PolarHBondContact O-N 2.97Å; N218-L221 VanDerWaalsContact O-N 3.13Å; N218-L221 WeakPolarHBondContact OD1-CB 3.39Å; N218-L221 VanDerWaalsContact OD1-CG 3.3Å; N218-L221 WeakPolarHBondContact OD1-CG 3.4Å; N218-L221 PolarHBondContact OD1-N 2.94Å; N218-Q222 WeakPolarHBondContact O-CG 3.24Å; N218-Q222 PolarHBondContact O-N 3.38Å
219P95.3Very high95.6Very high105 Ų10570.3 Ų70.368%0.68235%0.348SS*.Hα-helixtrans-56.4-35.2-176.6-28.636.3000114.4Q222 K223P219-Q222 PolarHBondContact O-N 3.28Å; P219-K223 WeakPolarHBondContact O-CB 3.37Å; P219-K223 PolarHBondContact O-N 3.11Å
220R95.3Very high95.7Very high131 Ų13168.5 Ų68.549%0.49435%0.349SS..Hα-helixtrans-60.7-47.4177.1-175-178.466.4117.63.3111.4N218 K223 A224 D474N218-R220 PolarHBondContact O-N 3.48Å; N218-R220 PolarHBondContact OD1-N 3.42Å; R220-K223 PolarHBondContact O-N 3.16Å; R220-A224 PolarHBondContact O-N 3.13Å; R220-D474 IonicContact CZ-OD1 3.62Å; R220-D474 IonicContact CZ-OD2 3.43Å; R220-D474 IonicContact NH1-OD1 3.27Å; R220-D474 PolarHBondContact NH1-OD1 3.23Å; R220-D474 IonicContact NH1-OD2 3.33Å; R220-D474 PolarHBondContact NH1-OD2 2.75Å; R220-D474 IonicContact NH2-OD1 2.6Å; R220-D474 PolarHBondContact NH2-OD1 3.32Å; R220-D474 IonicContact NH2-OD2 2.64Å
221L95.7Very high95.9Very high2 Ų270.4 Ų70.41%0.0136%0.362CS..Hα-helixtrans-71.8-35.5179.5-67-180000112.3L217 N218 K223 A224 M225 A475 A476 L479 A481L217-L221 HydrophobicContact CB-CB 4.13Å; L217-L221 HydrophobicContact CD1-CB 4.34Å; L217-L221 HydrophobicContact CD2-CD1 4.44Å; N218-L221 PolarHBondContact O-N 2.97Å; N218-L221 VanDerWaalsContact O-N 3.13Å; N218-L221 WeakPolarHBondContact OD1-CB 3.39Å; N218-L221 VanDerWaalsContact OD1-CG 3.3Å; N218-L221 WeakPolarHBondContact OD1-CG 3.4Å; N218-L221 PolarHBondContact OD1-N 2.94Å; L221-K223 VanDerWaalsContact C-N 3.32Å; L221-K223 PolarHBondContact O-N 2.96Å; L221-A224 PolarHBondContact O-N 3.13Å; L221-M225 WeakPolarHBondContact O-CB 3.02Å; L221-M225 PolarHBondContact O-N 3.11Å; L221-A475 HydrophobicContact CD1-CB 4.42Å; L221-A476 HydrophobicContact CD2-CB 3.71Å; L221-L479 HydrophobicContact CD1-CB 3.83Å; L221-L479 HydrophobicContact CD1-CD1 4.06Å; L221-A481 HydrophobicContact CD2-CB 4.36Å
222Q96.6Very high96.1Very high79 Ų7967.9 Ų67.937%0.36935%0.349SS..Hα-helixtrans-60-43.9171.5-67.4-174.332.700111.4S214 K215 L217 N218 P219 M225 K226S214-Q222 WeakPolarHBondContact O-CG 3.35Å; K215-Q222 PolarHBondContact O-NE2 3.23Å; L217-Q222 HydrophobicContact CB-CG 3.93Å; L217-Q222 PolarHBondContact O-NE2 3Å; N218-Q222 WeakPolarHBondContact O-CG 3.24Å; N218-Q222 PolarHBondContact O-N 3.38Å; P219-Q222 PolarHBondContact O-N 3.28Å; Q222-M225 PolarHBondContact O-N 3.15Å; Q222-K226 PolarHBondContact O-N 3.04Å
223K97.3Very high96.3Very high131 Ų13173.1 Ų73.157%0.5737%0.37SS*.Hα-helixtrans-62.6-49.8174.9-176.7-178.5178.8-65.70111.2P219 R220 L221 M225 K226 D227P219-K223 WeakPolarHBondContact O-CB 3.37Å; P219-K223 PolarHBondContact O-N 3.11Å; R220-K223 PolarHBondContact O-N 3.16Å; L221-K223 VanDerWaalsContact C-N 3.32Å; L221-K223 PolarHBondContact O-N 2.96Å; K223-M225 VanDerWaalsContact C-N 3.29Å; K223-M225 PolarHBondContact O-N 2.03Å; K223-K226 WeakPolarHBondContact O-CB 3.34Å; K223-K226 PolarHBondContact O-N 3.43Å; K223-D227 IonicContact NZ-OD1 3.26Å; K223-D227 IonicContact NZ-OD2 2.59Å; K223-D227 PolarHBondContact NZ-OD2 2.91Å; K223-D227 VanDerWaalsContact O-CG 3.26Å; K223-D227 PolarHBondContact O-N 3.48Å
224A97.1Very high96.4Very high23 Ų2372.7 Ų72.719%0.1937%0.366CS..Hα-helixtrans-55.9-44.5178.500000112R220 L221 K226 D227 Y228 A481R220-A224 PolarHBondContact O-N 3.13Å; L221-A224 PolarHBondContact O-N 3.13Å; A224-K226 PolarHBondContact O-N 3.14Å; A224-D227 PolarHBondContact O-N 3.44Å; A224-Y228 WeakPolarHBondContact O-CD2 3.47Å; A224-Y228 PolarHBondContact O-N 2.87Å; A224-A481 HydrophobicContact CB-CB 4.29Å
225M97Very high96.5Very high12 Ų1273.5 Ų73.56%0.05938%0.378CS..Hα-helixtrans-60.2-43.5175.5-179.5-179.917400112.2S214 L221 Q222 K223 D227 Y228 L229 K428 Q430 Y487S214-M225 VanDerWaalsContact CB-SD 3.54Å; L221-M225 WeakPolarHBondContact O-CB 3.02Å; L221-M225 PolarHBondContact O-N 3.11Å; Q222-M225 PolarHBondContact O-N 3.15Å; K223-M225 VanDerWaalsContact C-N 3.29Å; K223-M225 PolarHBondContact O-N 2.03Å; M225-D227 VanDerWaalsContact C-N 3.34Å; M225-Y228 PolarHBondContact O-N 3.32Å; M225-L229 HydrophobicContact CE-CD1 4.13Å; M225-L229 HydrophobicContact CG-CD1 4.15Å; M225-L229 WeakPolarHBondContact O-CB 3.32Å; M225-L229 VanDerWaalsContact O-CG 3.32Å; M225-L229 WeakPolarHBondContact O-CG 3.45Å; M225-L229 PolarHBondContact O-N 3.28Å; M225-K428 WeakPolarHBondContact CE-O 3.26Å; M225-Q430 HydrophobicContact CG-CG 4.11Å; M225-Y487 HydrophobicContact CE-CE2 3.89Å; M225-Y487 WeakPolarHBondContact CE-OH 3.32Å
226K97.4Very high96.7Very high145 Ų14566 Ų6663%0.6335%0.347SS*.Hα-helixtrans-62.9-40.8176.2-175.4-178.1176.3-174.90111.9Q222 K223 A224 L229 T230Q222-K226 PolarHBondContact O-N 3.04Å; K223-K226 WeakPolarHBondContact O-CB 3.34Å; K223-K226 PolarHBondContact O-N 3.43Å; A224-K226 PolarHBondContact O-N 3.14Å; K226-L229 PolarHBondContact O-N 3.33Å; K226-T230 WeakPolarHBondContact O-CB 3.35Å; K226-T230 PolarHBondContact O-N 3.46Å; K226-T230 PolarHBondContact O-OG1 2.86Å
227D98.3Very high96.7Very high73 Ų7371.9 Ų71.939%0.3937%0.365SS..Hα-helixtrans-64-45179.6-65.5-15.1000110.1K223 A224 M225 T230 A231K223-D227 IonicContact NZ-OD1 3.26Å; K223-D227 IonicContact NZ-OD2 2.59Å; K223-D227 PolarHBondContact NZ-OD2 2.91Å; K223-D227 VanDerWaalsContact O-CG 3.26Å; K223-D227 PolarHBondContact O-N 3.48Å; A224-D227 PolarHBondContact O-N 3.44Å; M225-D227 VanDerWaalsContact C-N 3.34Å; D227-T230 PolarHBondContact O-N 3.33Å; D227-A231 WeakPolarHBondContact O-CB 3.2Å; D227-A231 PolarHBondContact O-N 3.47Å
228Y98.1Very high96.8Very high79 Ų7973.8 Ų73.831%0.3137%0.373SS..Hα-helixtrans-66.4-39175.3-75.3-59.9000114A224 M225 T230 A231 N232 P431 N432 A481 Y482A224-Y228 WeakPolarHBondContact O-CD2 3.47Å; A224-Y228 PolarHBondContact O-N 2.87Å; M225-Y228 PolarHBondContact O-N 3.32Å; Y228-T230 PolarHBondContact O-N 3.11Å; Y228-A231 PolarHBondContact O-N 3.15Å; Y228-N232 PolarHBondContact O-N 2.95Å; Y228-N232 VanDerWaalsContact O-N 3.1Å; Y228-P431 WeakPolarHBondContact O-CG 3.46Å; Y228-N432 WeakPolarHBondContact CD1-ND2 3.37Å; Y228-A481 WeakPolarHBondContact CD2-O 3.18Å; Y228-A481 HydrophobicContact CE2-CB 4.42Å; Y228-Y482 HydrophobicContact CD1-CD2 4.28Å; Y228-Y482 AromaticContact CE1-CD2 3.62Å; Y228-Y482 HydrophobicContact CE1-CD2 3.62Å; Y228-Y482 HydrophobicContact CE1-CE2 4.37Å; Y228-Y482 HydrophobicContact CE1-CG 4.5Å; Y228-Y482 AromaticContact CZ-CD2 3.85Å
229L97.3Very high96.8Very high62 Ų6282.4 Ų82.433%0.32540%0.402SS..Hα-helixtrans-59.1-37.7173.2-80.6167.1000111.8M225 K226 K428 I429M225-L229 HydrophobicContact CE-CD1 4.13Å; M225-L229 HydrophobicContact CG-CD1 4.15Å; M225-L229 WeakPolarHBondContact O-CB 3.32Å; M225-L229 VanDerWaalsContact O-CG 3.32Å; M225-L229 WeakPolarHBondContact O-CG 3.45Å; M225-L229 PolarHBondContact O-N 3.28Å; K226-L229 PolarHBondContact O-N 3.33Å; L229-K428 HydrophobicContact CD2-CB 3.96Å; L229-I429 VanDerWaalsContact CD2-O 3.29Å; L229-I429 WeakPolarHBondContact CD2-O 3.49Å
230T97.9Very high96.5Very high107 Ų10779 Ų7966%0.65639%0.386SS*.Hα-helixtrans-74.5-43.8179.5-54.20000111.2K226 D227 Y228K226-T230 WeakPolarHBondContact O-CB 3.35Å; K226-T230 PolarHBondContact O-N 3.46Å; K226-T230 PolarHBondContact O-OG1 2.86Å; D227-T230 PolarHBondContact O-N 3.33Å; Y228-T230 PolarHBondContact O-N 3.11Å
231A98.1Very high96.1Very high70 Ų7080.5 Ų80.558%0.57940%0.396SS*.Hα-helixtrans-64.7-40.9-177.400000112.8D227 Y228 K233D227-A231 WeakPolarHBondContact O-CB 3.2Å; D227-A231 PolarHBondContact O-N 3.47Å; Y228-A231 PolarHBondContact O-N 3.15Å; A231-K233 PolarHBondContact O-N 3.08Å; A231-K233 VanDerWaalsContact O-N 3.11Å
232N97.6Very high95.8Very high53 Ų5386.5 Ų86.528%0.28342%0.418SS..  trans42.148.6-179.5-166.412.9000113.5Y228 H234 G235 V236 P431Y228-N232 PolarHBondContact O-N 2.95Å; Y228-N232 VanDerWaalsContact O-N 3.1Å; N232-H234 PolarHBondContact O-N 3.28Å; N232-G235 PolarHBondContact O-N 3.13Å; N232-V236 PolarHBondContact ND2-O 3.26Å; N232-V236 WeakPolarHBondContact OD1-CB 3.43Å; N232-V236 PolarHBondContact OD1-N 2.88Å; N232-P431 HydrophobicContact CB-CG 4.21Å; N232-P431 WeakPolarHBondContact OD1-CB 3.29Å
233K97.5Very high95Very high122 Ų12287.8 Ų87.853%0.5343%0.425SS..THydrogen-bonded Turntrans-46.8-37.8-172.2179.6-179.1176.3-177.20113.2A231 D387A231-K233 PolarHBondContact O-N 3.08Å; A231-K233 VanDerWaalsContact O-N 3.11Å; K233-D387 WeakPolarHBondContact CE-OD1 3.37Å; K233-D387 VanDerWaalsContact NZ-CG 3.34Å; K233-D387 IonicContact NZ-OD1 3.99Å; K233-D387 PolarHBondContact NZ-OD1 2.96Å; K233-D387 IonicContact NZ-OD2 2.76Å; K233-D387 PolarHBondContact NZ-OD2 3.42Å
234H97.6Very high93.9Very high16 Ų1684.2 Ų84.27%0.07441%0.414CS..THydrogen-bonded Turntrans-94.33.6-173-59.2-66.5000114.5N232 V236 P372 Y375 W415 N432 Y482N232-H234 PolarHBondContact O-N 3.28Å; H234-V236 HydrophobicContact CB-CG2 4.26Å; H234-V236 PolarHBondContact O-N 3.08Å; H234-P372 VanDerWaalsContact CE1-CB 3.48Å; H234-P372 WeakPolarHBondContact CE1-CB 3.49Å; H234-Y375 WeakPolarHBondContact O-CB 3.21Å; H234-Y375 PolarHBondContact O-N 2.87Å; H234-W415 HydrophobicContact CB-CH2 3.72Å; H234-W415 HydrophobicContact CB-CZ2 3.59Å; H234-W415 AromaticContact CG-CH2 3.99Å; H234-W415 AromaticContact CG-CZ2 3.81Å; H234-N432 PolarHBondContact CD2-OD1 2.95Å; H234-Y482 PolarHBondContact NE2-OH 3.17Å
235G97.6Very high93Very high40 Ų4086.3 Ų86.341%0.41244%0.437SS..  trans66.235.5178.500000113.5N232 R237N232-G235 PolarHBondContact O-N 3.13Å; G235-R237 PolarHBondContact O-N 2.89Å
236V98.1Very high92.7Very high13 Ų1387.9 Ų87.98%0.07945%0.446CS..  trans-63.9128.6-178-179.40000110.2N232 H234 Y375 W415 W418 P431N232-V236 PolarHBondContact ND2-O 3.26Å; N232-V236 WeakPolarHBondContact OD1-CB 3.43Å; N232-V236 PolarHBondContact OD1-N 2.88Å; H234-V236 HydrophobicContact CB-CG2 4.26Å; H234-V236 PolarHBondContact O-N 3.08Å; V236-Y375 HydrophobicContact CB-CD2 4.33Å; V236-Y375 HydrophobicContact CB-CG 4.26Å; V236-Y375 HydrophobicContact CG1-CD2 4Å; V236-Y375 HydrophobicContact CG1-CE2 4.04Å; V236-Y375 HydrophobicContact CG1-CG 4.29Å; V236-Y375 HydrophobicContact CG2-CD2 4.02Å; V236-Y375 HydrophobicContact CG2-CG 4.13Å; V236-W415 HydrophobicContact CG2-CH2 3.7Å; V236-W415 HydrophobicContact CG2-CZ3 3.67Å; V236-W418 HydrophobicContact CG1-CE3 4.17Å; V236-W418 HydrophobicContact CG1-CH2 3.41Å; V236-W418 VanDerWaalsContact CG1-CH2 3.41Å; V236-W418 HydrophobicContact CG1-CZ2 3.85Å; V236-W418 HydrophobicContact CG1-CZ3 3.57Å; V236-P431 HydrophobicContact CB-CB 3.71Å; V236-P431 HydrophobicContact CG1-CB 4.36Å; V236-P431 HydrophobicContact CG2-CB 3.69Å; V236-P431 WeakPolarHBondContact CG2-O 3.46Å
237R96Very high92.5Very high190 Ų19083.6 Ų83.672%0.71743%0.434SS*.  trans-133.877.3178.1-68.3-177.7179.8-178.7-0.8109.5G235 R239G235-R237 PolarHBondContact O-N 2.89Å; R237-R239 PolarHBondContact O-N 2.68Å
238F95.9Very high92.3Very high48 Ų4886.2 Ų86.221%0.21144%0.438CS..  trans-68.3126.5178.8-176.2-107.9000111.5G240 R242 W418 Q422 E423F238-G240 VanDerWaalsContact CE1-C 3.43Å; F238-G240 WeakPolarHBondContact CE1-O 3.5Å; F238-G240 VanDerWaalsContact CZ-CA 3.41Å; F238-R242 HydrophobicContact CE1-CG 4.02Å; F238-W418 HydrophobicContact CB-CH2 4.02Å; F238-W418 HydrophobicContact CB-CZ3 3.85Å; F238-W418 AromaticContact CD2-CZ3 3.79Å; F238-W418 HydrophobicContact CD2-CZ3 3.79Å; F238-W418 HydrophobicContact CG-CH2 4.45Å; F238-W418 HydrophobicContact CG-CZ3 4.08Å; F238-Q422 HydrophobicContact CB-CG 4.47Å; F238-Q422 HydrophobicContact CD1-CG 3.6Å; F238-Q422 HydrophobicContact CD2-CB 4.25Å; F238-Q422 HydrophobicContact CD2-CG 3.89Å; F238-Q422 HydrophobicContact CE1-CG 3.63Å; F238-Q422 HydrophobicContact CE2-CB 4.09Å; F238-Q422 HydrophobicContact CE2-CG 3.92Å; F238-Q422 HydrophobicContact CG-CG 3.71Å; F238-Q422 HydrophobicContact CZ-CB 4.25Å; F238-Q422 HydrophobicContact CZ-CG 3.79Å; F238-E423 HydrophobicContact CE2-CG 3.79Å; F238-E423 HydrophobicContact CZ-CB 4.42Å; F238-E423 HydrophobicContact CZ-CG 3.52Å
239R91.2Very high92.1Very high230 Ų23085.2 Ų85.287%0.86845%0.446SS*.  trans-115.1-3.2178.9-64.4-175.9178.3-176.1-1.7113.7R237R237-R239 PolarHBondContact O-N 2.68Å
240G88.3Confident92Very high34 Ų3487.2 Ų87.235%0.35145%0.454SS..SBendtrans-72.5170.9-179.600000113.1F238F238-G240 VanDerWaalsContact CE1-C 3.43Å; F238-G240 WeakPolarHBondContact CE1-O 3.5Å; F238-G240 VanDerWaalsContact CZ-CA 3.41Å
241K88.8Confident91.9Very high162 Ų16282.1 Ų82.170%0.70442%0.423SS*.  trans-84.8144.6170.1-65.9-176.6-178178.20109.8E243 E423K241-E243 HydrophobicContact CB-CG 4.22Å; K241-E243 WeakPolarHBondContact CD-OE1 3.33Å; K241-E423 WeakPolarHBondContact O-CA 3.33Å
242R89.3Confident91.8Very high127 Ų12779.2 Ų79.248%0.47940%0.398SS..  trans-96.7103.3174.4-69.9178.4-73.8162-3.8108.6F238 E423 T425 K426F238-R242 HydrophobicContact CE1-CG 4.02Å; R242-E423 CarbonylContact C-O 3.59Å; R242-E423 WeakPolarHBondContact CA-O 3.17Å; R242-T425 WeakPolarHBondContact CB-O 3.45Å; R242-K426 PolarHBondContact NH1-O 2.82Å
243E79.4Confident91.8Very high107 Ų10777.6 Ų77.650%0.539%0.39SS..  trans-128.7118.3-175.6-66.6-177.9-169.600110.5K241 G245 E423 N424K241-E243 HydrophobicContact CB-CG 4.22Å; K241-E243 WeakPolarHBondContact CD-OE1 3.33Å; E243-G245 VanDerWaalsContact C-N 3.32Å; E243-G245 PolarHBondContact O-N 2.96Å; E243-E423 CarbonylContact C-O 3.55Å; E243-E423 PolarHBondContact N-O 3.24Å; E243-N424 WeakPolarHBondContact O-CA 3.18Å
244T73.9Confident91.7Very high56 Ų5673.2 Ų73.234%0.34437%0.372SS..  trans-95.924.2178.156.20000113.3N424 K426T244-N424 WeakPolarHBondContact CG2-O 3.26Å; T244-K426 HydrophobicContact CG2-CB 4.44Å; T244-K426 HydrophobicContact CG2-CD 4.34Å; T244-K426 HydrophobicContact CG2-CG 3.62Å; T244-K426 WeakPolarHBondContact OG1-CE 3.42Å
245G77.4Confident91.6Very high66 Ų6672.4 Ų72.468%0.6837%0.368SS*.  trans-98.4-10.5-168.800000115.5E243 S247E243-G245 VanDerWaalsContact C-N 3.32Å; E243-G245 PolarHBondContact O-N 2.96Å; G245-S247 PolarHBondContact O-N 2.87Å
246L90.3Very high91.5Very high46 Ų4675 Ų7524%0.24137%0.365CS..  trans-67.1128.6-175-62.2-172.6000111.3Q250 L251L246-Q250 HydrophobicContact CB-CB 4.18Å; L246-Q250 HydrophobicContact CD2-CB 4.17Å; L246-L251 HydrophobicContact CB-CB 4.42Å
247S93.4Very high91.3Very high55 Ų5578.5 Ų78.539%0.38539%0.39SS..  trans-62.2160.2167.266.60000110.7G245 A249 Q250 L251G245-S247 PolarHBondContact O-N 2.87Å; S247-A249 PolarHBondContact O-N 3.32Å; S247-Q250 PolarHBondContact O-N 2.81Å; S247-Q250 VanDerWaalsContact O-N 3.15Å; S247-Q250 WeakPolarHBondContact OG-CG 3.01Å; S247-Q250 PolarHBondContact OG-N 2.86Å; S247-Q250 PolarHBondContact OG-OE1 2.88Å; S247-L251 WeakPolarHBondContact O-CB 3.31Å; S247-L251 PolarHBondContact O-N 3.16Å
248R94.6Very high91.2Very high127 Ų12774.1 Ų74.148%0.47937%0.374SS..Hα-helixtrans-50.4-44.2175.1175173.455.2101.91.3112.5L251 L252R248-L251 PolarHBondContact O-N 2.82Å; R248-L252 HydrophobicContact CG-CD1 4.11Å; R248-L252 WeakPolarHBondContact O-CB 3.49Å; R248-L252 VanDerWaalsContact O-CG 3.31Å; R248-L252 WeakPolarHBondContact O-CG 3.44Å; R248-L252 PolarHBondContact O-N 2.84Å
249A95Very high91.1Very high58 Ų5871.9 Ų71.948%0.47936%0.364SS..Hα-helixtrans-65.6-45.3179.800000112.2S247 L251 L252 C253S247-A249 PolarHBondContact O-N 3.32Å; A249-L251 PolarHBondContact O-N 2.88Å; A249-L252 PolarHBondContact O-N 3.09Å; A249-C253 PolarHBondContact O-N 3.25Å; A249-C253 PolarHBondContact O-SG 3.04Å
250Q94.9Very high91.3Very high105 Ų10564.4 Ų64.449%0.49135%0.345SS..Hα-helixtrans-63.3-41.2176.9-72164.5-44.900111.9L246 S247 C253 Q254L246-Q250 HydrophobicContact CB-CB 4.18Å; L246-Q250 HydrophobicContact CD2-CB 4.17Å; S247-Q250 PolarHBondContact O-N 2.81Å; S247-Q250 VanDerWaalsContact O-N 3.15Å; S247-Q250 WeakPolarHBondContact OG-CG 3.01Å; S247-Q250 PolarHBondContact OG-N 2.86Å; S247-Q250 PolarHBondContact OG-OE1 2.88Å; Q250-C253 WeakPolarHBondContact O-CB 3.47Å; Q250-C253 PolarHBondContact O-N 3.33Å; Q250-Q254 WeakPolarHBondContact O-CB 3.4Å; Q250-Q254 PolarHBondContact O-N 3.23Å
251L95.2Very high91.7Very high0 Ų063.8 Ų63.80%033%0.334CS..Hα-helixtrans-65.7-41.5177.5-179.759.6000112.2L246 S247 R248 A249 C253 Q254 L255 I420 L491 L495L246-L251 HydrophobicContact CB-CB 4.42Å; S247-L251 WeakPolarHBondContact O-CB 3.31Å; S247-L251 PolarHBondContact O-N 3.16Å; R248-L251 PolarHBondContact O-N 2.82Å; A249-L251 PolarHBondContact O-N 2.88Å; L251-C253 VanDerWaalsContact C-N 3.29Å; L251-C253 PolarHBondContact O-N 3.33Å; L251-Q254 WeakPolarHBondContact O-CB 3.26Å; L251-Q254 PolarHBondContact O-N 2.9Å; L251-L255 HydrophobicContact CD1-CG 4.5Å; L251-L255 HydrophobicContact CG-CD1 4.33Å; L251-L255 WeakPolarHBondContact O-CG 2.93Å; L251-L255 PolarHBondContact O-N 3.08Å; L251-I420 HydrophobicContact CD1-CG2 4.19Å; L251-L491 HydrophobicContact CD1-CD1 4.44Å; L251-L491 HydrophobicContact CD1-CD2 4.49Å; L251-L491 HydrophobicContact CD2-CD2 3.88Å; L251-L491 HydrophobicContact CD2-CG 3.9Å; L251-L491 HydrophobicContact CG-CD2 4.42Å; L251-L495 HydrophobicContact CB-CD2 4.26Å; L251-L495 HydrophobicContact CD2-CD2 3.73Å; L251-L495 HydrophobicContact CD2-CG 4.06Å; L251-L495 HydrophobicContact CG-CD2 3.85Å
252L96.8Very high92.1Very high9 Ų960 Ų605%0.04732%0.316CS..Hα-helixtrans-58.9-42.5172.8-77166.9000111.5R248 A249 L255 R256 M445 L495 P512 V517R248-L252 HydrophobicContact CG-CD1 4.11Å; R248-L252 WeakPolarHBondContact O-CB 3.49Å; R248-L252 VanDerWaalsContact O-CG 3.31Å; R248-L252 WeakPolarHBondContact O-CG 3.44Å; R248-L252 PolarHBondContact O-N 2.84Å; A249-L252 PolarHBondContact O-N 3.09Å; L252-L255 PolarHBondContact O-N 2.89Å; L252-R256 WeakPolarHBondContact O-CB 3.37Å; L252-R256 PolarHBondContact O-N 3.2Å; L252-M445 HydrophobicContact CD2-CE 3.71Å; L252-L495 HydrophobicContact CD2-CD2 3.71Å; L252-L495 HydrophobicContact CG-CD2 3.69Å; L252-P512 HydrophobicContact CD1-CG 3.64Å; L252-P512 HydrophobicContact CD2-CG 3.89Å; L252-P512 HydrophobicContact CG-CG 4.44Å; L252-V517 HydrophobicContact CB-CG1 3.87Å; L252-V517 HydrophobicContact CB-CG2 4.05Å; L252-V517 HydrophobicContact CD1-CG2 4.25Å; L252-V517 HydrophobicContact CD2-CG2 4.21Å; L252-V517 HydrophobicContact CG-CG2 4.4Å
253C95.9Very high92.5Very high18 Ų1854.7 Ų54.712%0.12230%0.297CS..Hα-helixtrans-65.6-42.1176.4-71.30000112.9A249 Q250 L251 R256 S257 C519A249-C253 PolarHBondContact O-N 3.25Å; A249-C253 PolarHBondContact O-SG 3.04Å; Q250-C253 WeakPolarHBondContact O-CB 3.47Å; Q250-C253 PolarHBondContact O-N 3.33Å; L251-C253 VanDerWaalsContact C-N 3.29Å; L251-C253 PolarHBondContact O-N 3.33Å; C253-R256 PolarHBondContact O-N 3.12Å; C253-S257 WeakPolarHBondContact O-CB 3.3Å; C253-S257 PolarHBondContact O-N 3.07Å; C253-S257 PolarHBondContact O-OG 3.13Å; C253-S257 VanDerWaalsContact O-OG 3.12Å; C253-C519 WeakPolarHBondContact CA-SG 3.48Å; C253-C519 HydrophobicContact CB-CB 3.83Å; C253-C519 WeakPolarHBondContact CB-SG 3.41Å; C253-C519 WeakPolarHBondContact SG-CA 3.42Å; C253-C519 WeakPolarHBondContact SG-CB 3.39Å; C253-C519 CovalentContact SG-SG 2.03Å; C253-C519 PolarHBondContact SG-SG 3.46Å
254Q95.4Very high93.4Very high30 Ų3049.8 Ų49.814%0.1428%0.275CS..Hα-helixtrans-59.5-47.6175.5-171-174.334.600111.4Q250 L251 S257 R258 E423 N424Q250-Q254 WeakPolarHBondContact O-CB 3.4Å; Q250-Q254 PolarHBondContact O-N 3.23Å; L251-Q254 WeakPolarHBondContact O-CB 3.26Å; L251-Q254 PolarHBondContact O-N 2.9Å; Q254-S257 PolarHBondContact O-N 3.29Å; Q254-S257 PolarHBondContact O-OG 3.11Å; Q254-R258 VanDerWaalsContact O-CB 3.31Å; Q254-R258 WeakPolarHBondContact O-CB 3.33Å; Q254-R258 PolarHBondContact O-N 2.81Å; Q254-E423 PolarHBondContact NE2-OE2 3.22Å; Q254-N424 PolarHBondContact OE1-ND2 3.12Å
255L96.3Very high94.4Very high0 Ų050.5 Ų50.50%028%0.276CS..Hα-helixtrans-60.9-47.2177.4-74166.4000111.5L251 L252 S257 A259 L417 I420 L442 L491 L495 F514L251-L255 HydrophobicContact CD1-CG 4.5Å; L251-L255 HydrophobicContact CG-CD1 4.33Å; L251-L255 WeakPolarHBondContact O-CG 2.93Å; L251-L255 PolarHBondContact O-N 3.08Å; L252-L255 PolarHBondContact O-N 2.89Å; L255-S257 PolarHBondContact O-N 3.35Å; L255-A259 PolarHBondContact O-N 2.64Å; L255-A259 VanDerWaalsContact O-N 3.1Å; L255-L417 HydrophobicContact CD2-CD2 4.36Å; L255-I420 HydrophobicContact CD2-CB 4.37Å; L255-I420 HydrophobicContact CD2-CD1 3.88Å; L255-I420 HydrophobicContact CD2-CG2 3.69Å; L255-I420 HydrophobicContact CG-CG2 4.28Å; L255-L442 HydrophobicContact CB-CD1 4.5Å; L255-L442 HydrophobicContact CD1-CD1 4.39Å; L255-L442 HydrophobicContact CD2-CD1 4.09Å; L255-L491 HydrophobicContact CD1-CD2 4.16Å; L255-L495 HydrophobicContact CD1-CD1 3.65Å; L255-L495 HydrophobicContact CD1-CD2 4.34Å; L255-F514 HydrophobicContact CB-CE1 3.86Å; L255-F514 HydrophobicContact CB-CZ 3.95Å
256R95.3Very high95.4Very high95 Ų9547.5 Ų47.536%0.35825%0.245SC..Hα-helixtrans-60.3-44179.9-173.7179.777.8169.77.5112.6L252 C253 F514 V517 C519L252-R256 WeakPolarHBondContact O-CB 3.37Å; L252-R256 PolarHBondContact O-N 3.2Å; C253-R256 PolarHBondContact O-N 3.12Å; R256-F514 HydrophobicContact CB-CD1 3.7Å; R256-F514 HydrophobicContact CB-CE1 4.13Å; R256-F514 HydrophobicContact CB-CG 4.2Å; R256-F514 WeakPolarHBondContact CD-O 3.44Å; R256-F514 HydrophobicContact CG-CB 4.01Å; R256-F514 HydrophobicContact CG-CD1 4.11Å; R256-F514 HydrophobicContact CG-CG 4.14Å; R256-V517 PolarHBondContact NH1-O 3.09Å; R256-C519 VanDerWaalsContact NH2-CB 3.26Å; R256-C519 PolarHBondContact NH2-SG 3.25Å
257S94.4Very high95.7Very high85 Ų8548.5 Ų48.559%0.59425%0.253SS*.Hα-helixtrans-83.9-36.3-172.968.70000113.3C253 Q254 L255C253-S257 WeakPolarHBondContact O-CB 3.3Å; C253-S257 PolarHBondContact O-N 3.07Å; C253-S257 PolarHBondContact O-OG 3.13Å; C253-S257 VanDerWaalsContact O-OG 3.12Å; Q254-S257 PolarHBondContact O-N 3.29Å; Q254-S257 PolarHBondContact O-OG 3.11Å; L255-S257 PolarHBondContact O-N 3.35Å
258R94.4Very high95.9Very high99 Ų9948.2 Ų48.237%0.37425%0.246SC..Hα-helixtrans-97.7-19.9-171.9-67.4-176.560-173.5-3114.5Q254 Q416 I420 E423Q254-R258 VanDerWaalsContact O-CB 3.31Å; Q254-R258 WeakPolarHBondContact O-CB 3.33Å; Q254-R258 PolarHBondContact O-N 2.81Å; R258-Q416 PolarHBondContact O-NE2 3.46Å; R258-Q416 PolarHBondContact O-OE1 3.31Å; R258-I420 HydrophobicContact CB-CD1 4.11Å; R258-E423 IonicContact CZ-OE1 3.76Å; R258-E423 VanDerWaalsContact CZ-OE1 3.26Å; R258-E423 IonicContact CZ-OE2 2.71Å; R258-E423 IonicContact NH1-OE1 2.69Å; R258-E423 PolarHBondContact NH1-OE1 2.65Å; R258-E423 IonicContact NH1-OE2 3.53Å; R258-E423 PolarHBondContact NH1-OE2 3.23Å; R258-E423 IonicContact NH2-OE1 2.72Å; R258-E423 PolarHBondContact NH2-OE1 3.03Å; R258-E423 IonicContact NH2-OE2 3.57Å
259A94Very high96Very high1 Ų144.8 Ų44.81%0.00825%0.245CC..  trans-126.658.3-179.700000112.1L255 V261 F413 Q416 L417 I420L255-A259 PolarHBondContact O-N 2.64Å; L255-A259 VanDerWaalsContact O-N 3.1Å; A259-V261 PolarHBondContact O-N 3.41Å; A259-F413 HydrophobicContact CB-CD2 4.48Å; A259-F413 HydrophobicContact CB-CE2 4.45Å; A259-F413 WeakPolarHBondContact O-CE2 3.32Å; A259-Q416 HydrophobicContact CB-CB 4.22Å; A259-L417 HydrophobicContact CB-CD2 3.56Å; A259-L417 HydrophobicContact CB-CG 4.35Å; A259-I420 HydrophobicContact CB-CD1 3.86Å
260P94.6Very high96.1Very high73 Ų7342.8 Ų42.847%0.47423%0.227SC..  trans-61.8134.817129.1-34.1000109.7R262 F413P260-R262 PolarHBondContact O-N 3.24Å; P260-R262 VanDerWaalsContact O-N 3.15Å; P260-F413 WeakPolarHBondContact O-CD2 2.93Å
261V96.6Very high96.3Very high20 Ų2037.9 Ų37.912%0.12120%0.204CC..  trans-59121.1178.3178.90000109.1A259 L285 F413 I443A259-V261 PolarHBondContact O-N 3.41Å; V261-L285 HydrophobicContact CG1-CD2 4.2Å; V261-F413 HydrophobicContact CB-CE2 4.4Å; V261-F413 HydrophobicContact CB-CZ 4.4Å; V261-F413 HydrophobicContact CG2-CE2 3.97Å; V261-F413 HydrophobicContact CG2-CZ 3.84Å; V261-I443 HydrophobicContact CG1-CG1 4.14Å; V261-I443 HydrophobicContact CG2-CG1 4.41Å
262R96.7Very high96.4Very high83 Ų8340.4 Ų40.431%0.31322%0.222SC..  trans-128.6131.3-177.3-171-179.4174166.9-1.6110.7P260 E268 H410 F413P260-R262 PolarHBondContact O-N 3.24Å; P260-R262 VanDerWaalsContact O-N 3.15Å; R262-E268 IonicContact CZ-OE1 3.52Å; R262-E268 IonicContact CZ-OE2 2.8Å; R262-E268 IonicContact NH2-OE1 3.96Å; R262-E268 PolarHBondContact NH2-OE1 2.99Å; R262-E268 IonicContact NH2-OE2 3.29Å; R262-E268 PolarHBondContact NH2-OE2 3.39Å; R262-H410 HydrophobicContact CB-CB 4.04Å; R262-H410 HydrophobicContact CG-CB 3.69Å; R262-H410 PolarHBondContact NE-CD2 3Å; R262-H410 WeakPolarHBondContact O-CB 3.48Å; R262-H410 PolarHBondContact O-N 2.89Å; R262-F413 HydrophobicContact CB-CB 4.16Å
263T98Very high96.4Very high15 Ų1544.4 Ų44.49%0.09226%0.256CS..BIsolated β-bridgetrans-114.8164.317456.20000109.7D265 L285 Y407 I408 L409T263-D265 PolarHBondContact O-N 3.27Å; T263-L285 HydrophobicContact CG2-CB 4.04Å; T263-L285 HydrophobicContact CG2-CD2 4.24Å; T263-Y407 HydrophobicContact CG2-CD1 3.91Å; T263-Y407 HydrophobicContact CG2-CG 4.13Å; T263-I408 CarbonylContact C-O 3.53Å; T263-I408 WeakPolarHBondContact CA-O 3.45Å; T263-I408 WeakPolarHBondContact CB-O 3.47Å; T263-L409 HydrophobicContact CG2-CD2 4.15Å
264L98Very high96.5Very high5 Ų547.4 Ų47.43%0.02627%0.27CS..  trans-62.6129.7166.2-61.6-176.6000109.5F271 W276 W382 F391 I408L264-F271 HydrophobicContact CD1-CD1 4.36Å; L264-F271 HydrophobicContact CD1-CD2 4.21Å; L264-F271 HydrophobicContact CD1-CE1 3.85Å; L264-F271 HydrophobicContact CD1-CE2 3.71Å; L264-F271 HydrophobicContact CD1-CZ 3.5Å; L264-F271 HydrophobicContact CD2-CD2 4.03Å; L264-F271 HydrophobicContact CD2-CE2 3.68Å; L264-F271 HydrophobicContact CD2-CZ 4.33Å; L264-F271 HydrophobicContact CG-CE2 4.34Å; L264-W276 HydrophobicContact CD1-CE3 4.31Å; L264-W276 HydrophobicContact CD1-CZ3 3.82Å; L264-W382 HydrophobicContact CD1-CH2 4.07Å; L264-W382 HydrophobicContact CD1-CZ3 3.91Å; L264-W382 HydrophobicContact CD2-CZ3 4.15Å; L264-W382 HydrophobicContact CG-CZ3 4.43Å; L264-F391 HydrophobicContact CD1-CE1 4.5Å; L264-I408 HydrophobicContact CD1-CB 3.96Å; L264-I408 HydrophobicContact CD1-CD1 4.38Å; L264-I408 HydrophobicContact CD1-CG2 3.76Å; L264-I408 HydrophobicContact CG-CB 4.22Å; L264-I408 HydrophobicContact CG-CG2 4.11Å; L264-I408 PolarHBondContact N-O 3.27Å
265D96.3Very high96.5Very high70 Ų7048.1 Ų48.137%0.37429%0.286SS..  trans-113.71.6178.464.68.8000112.7T263 T267T263-D265 PolarHBondContact O-N 3.27Å; D265-T267 HydrophobicContact CB-CG2 4.45Å; D265-T267 PolarHBondContact O-N 3.49Å; D265-T267 WeakPolarHBondContact OD1-CB 3.44Å; D265-T267 WeakPolarHBondContact OD1-CG2 3.49Å; D265-T267 PolarHBondContact OD1-N 2.65Å; D265-T267 PolarHBondContact OD1-OG1 2.84Å; D265-T267 PolarHBondContact OD2-OG1 3.17Å
266G97Very high96.6Very high3 Ų348.5 Ų48.53%0.03129%0.287CS..SBendtrans72.311.9179.800000114.6S272G266-S272 WeakPolarHBondContact O-CA 3.44Å; G266-S272 PolarHBondContact O-N 2.9Å
267T96.9Very high96.6Very high67 Ų6753 Ų5341%0.41130%0.304SS..  trans-96-24.6-178.769.80000113.9D265 S272D265-T267 HydrophobicContact CB-CG2 4.45Å; D265-T267 PolarHBondContact O-N 3.49Å; D265-T267 WeakPolarHBondContact OD1-CB 3.44Å; D265-T267 WeakPolarHBondContact OD1-CG2 3.49Å; D265-T267 PolarHBondContact OD1-N 2.65Å; D265-T267 PolarHBondContact OD1-OG1 2.84Å; D265-T267 PolarHBondContact OD2-OG1 3.17Å; T267-S272 VanDerWaalsContact O-CB 3.28Å; T267-S272 WeakPolarHBondContact O-CB 3.49Å
268E97.6Very high96.6Very high50 Ų5060.4 Ų60.423%0.23432%0.319CS..SBendtrans-89.8146.3177.1-73169.6-67.700112.2R262 F271 S272 L379 H410 K412R262-E268 IonicContact CZ-OE1 3.52Å; R262-E268 IonicContact CZ-OE2 2.8Å; R262-E268 IonicContact NH2-OE1 3.96Å; R262-E268 PolarHBondContact NH2-OE1 2.99Å; R262-E268 IonicContact NH2-OE2 3.29Å; R262-E268 PolarHBondContact NH2-OE2 3.39Å; E268-F271 WeakPolarHBondContact O-CA 3.45Å; E268-F271 WeakPolarHBondContact O-CB 3.2Å; E268-F271 PolarHBondContact O-N 3.23Å; E268-S272 PolarHBondContact O-N 3.47Å; E268-L379 HydrophobicContact CB-CD1 3.79Å; E268-H410 IonicContact OE1-CD2 3.89Å; E268-H410 IonicContact OE1-NE2 3.76Å; E268-H410 PolarHBondContact OE1-NE2 3.11Å; E268-H410 IonicContact OE2-NE2 3.66Å; E268-K412 IonicContact OE2-NZ 3.43Å
269A96.9Very high96.7Very high54 Ų5457.1 Ų57.145%0.44631%0.309SS..THydrogen-bonded Turntrans-65.3143.6171.100000110.9S272A269-S272 PolarHBondContact N-OG 3.43Å
270P97.6Very high96.9Very high17 Ų1757.5 Ų57.511%0.1131%0.311CS..THydrogen-bonded Turncis-83.1-9.84.132.5-34000114.1S272 A273 L274 N380 Y383P270-S272 VanDerWaalsContact C-N 3.31Å; P270-S272 PolarHBondContact O-N 2.98Å; P270-A273 PolarHBondContact O-N 3.37Å; P270-L274 HydrophobicContact CB-CD1 4.17Å; P270-L274 HydrophobicContact CG-CD1 4.48Å; P270-L274 VanDerWaalsContact O-CG 3.29Å; P270-L274 WeakPolarHBondContact O-CG 3.37Å; P270-L274 PolarHBondContact O-N 3.1Å; P270-L274 VanDerWaalsContact O-N 3.12Å; P270-N380 WeakPolarHBondContact CB-OD1 3.2Å; P270-N380 WeakPolarHBondContact CD-OD1 3.36Å; P270-Y383 HydrophobicContact CG-CD1 4.16Å; P270-Y383 HydrophobicContact CG-CG 3.91Å
271F98.1Very high97Very high1 Ų155 Ų550%0.00430%0.295CS..THydrogen-bonded Turntrans-62.4-34.1-171.5-56.9-68.2000113.6L264 E268 L274 G275 W276 L379 W382 Y383 F391L264-F271 HydrophobicContact CD1-CD1 4.36Å; L264-F271 HydrophobicContact CD1-CD2 4.21Å; L264-F271 HydrophobicContact CD1-CE1 3.85Å; L264-F271 HydrophobicContact CD1-CE2 3.71Å; L264-F271 HydrophobicContact CD1-CZ 3.5Å; L264-F271 HydrophobicContact CD2-CD2 4.03Å; L264-F271 HydrophobicContact CD2-CE2 3.68Å; L264-F271 HydrophobicContact CD2-CZ 4.33Å; L264-F271 HydrophobicContact CG-CE2 4.34Å; E268-F271 WeakPolarHBondContact O-CA 3.45Å; E268-F271 WeakPolarHBondContact O-CB 3.2Å; E268-F271 PolarHBondContact O-N 3.23Å; F271-L274 CarbonylContact O-C 3.56Å; F271-L274 PolarHBondContact O-N 3.45Å; F271-G275 PolarHBondContact O-N 3.4Å; F271-W276 HydrophobicContact CB-CB 3.87Å; F271-W276 HydrophobicContact CB-CD2 4.1Å; F271-W276 HydrophobicContact CB-CE3 4.33Å; F271-W276 HydrophobicContact CB-CG 3.86Å; F271-W276 AromaticContact CD1-CD2 3.35Å; F271-W276 HydrophobicContact CD1-CD2 3.35Å; F271-W276 AromaticContact CD1-CE2 3.57Å; F271-W276 AromaticContact CD1-CE3 3.44Å; F271-W276 HydrophobicContact CD1-CE3 3.44Å; F271-W276 VanDerWaalsContact CD1-CE3 3.44Å; F271-W276 AromaticContact CD1-CG 3.93Å; F271-W276 HydrophobicContact CD1-CG 3.93Å; F271-W276 HydrophobicContact CD1-CH2 4.12Å; F271-W276 AromaticContact CD1-CZ2 3.96Å; F271-W276 HydrophobicContact CD1-CZ2 3.96Å; F271-W276 AromaticContact CD1-CZ3 3.83Å; F271-W276 HydrophobicContact CD1-CZ3 3.83Å; F271-W276 HydrophobicContact CE1-CD2 4.13Å; F271-W276 AromaticContact CE1-CE3 3.96Å; F271-W276 HydrophobicContact CE1-CE3 3.96Å; F271-W276 AromaticContact CE1-CH2 3.9Å; F271-W276 HydrophobicContact CE1-CH2 3.9Å; F271-W276 AromaticContact CE1-CZ2 3.97Å; F271-W276 HydrophobicContact CE1-CZ2 3.97Å; F271-W276 AromaticContact CE1-CZ3 3.85Å; F271-W276 HydrophobicContact CE1-CZ3 3.85Å; F271-W276 HydrophobicContact CG-CD2 4.11Å; F271-W276 HydrophobicContact CG-CE3 4.09Å; F271-W276 HydrophobicContact CG-CG 4.37Å; F271-W276 VanDerWaalsContact O-CB 3.31Å; F271-W276 WeakPolarHBondContact O-CB 3.45Å; F271-W276 PolarHBondContact O-N 3.17Å; F271-L379 HydrophobicContact CD2-CD1 4.25Å; F271-L379 HydrophobicContact CE2-CB 4.11Å; F271-L379 HydrophobicContact CE2-CD1 4.16Å; F271-L379 HydrophobicContact CE2-CD2 4.33Å; F271-L379 HydrophobicContact CE2-CG 4.43Å; F271-W382 HydrophobicContact CE2-CE3 4.43Å; F271-W382 HydrophobicContact CE2-CZ3 4.14Å; F271-W382 HydrophobicContact CZ-CE3 4.14Å; F271-W382 AromaticContact CZ-CZ3 3.83Å; F271-W382 HydrophobicContact CZ-CZ3 3.83Å; F271-Y383 HydrophobicContact CD1-CD2 4.37Å; F271-Y383 AromaticContact CE1-CD2 3.59Å; F271-Y383 HydrophobicContact CE1-CD2 3.59Å; F271-Y383 HydrophobicContact CE1-CE2 4.14Å; F271-Y383 HydrophobicContact CE1-CG 4.45Å; F271-Y383 HydrophobicContact CZ-CD2 4.15Å; F271-F391 HydrophobicContact CE1-CD1 4.2Å; F271-F391 AromaticContact CE1-CE1 3.75Å; F271-F391 HydrophobicContact CE1-CE1 3.75Å; F271-F391 HydrophobicContact CE1-CZ 4.33Å; F271-F391 AromaticContact CZ-CE1 3.78Å; F271-F391 HydrophobicContact CZ-CE1 3.78Å; F271-F391 HydrophobicContact CZ-CZ 4.08Å
272S97.8Very high96.8Very high54 Ų5459 Ų5938%0.37833%0.33SS..THydrogen-bonded Turntrans-61.7-46.6173.954.20000113.2G266 T267 E268 A269 P270 L274 G275G266-S272 WeakPolarHBondContact O-CA 3.44Å; G266-S272 PolarHBondContact O-N 2.9Å; T267-S272 VanDerWaalsContact O-CB 3.28Å; T267-S272 WeakPolarHBondContact O-CB 3.49Å; E268-S272 PolarHBondContact O-N 3.47Å; A269-S272 PolarHBondContact N-OG 3.43Å; P270-S272 VanDerWaalsContact C-N 3.31Å; P270-S272 PolarHBondContact O-N 2.98Å; S272-L274 PolarHBondContact O-N 2.87Å; S272-G275 PolarHBondContact O-N 2.83Å; S272-G275 VanDerWaalsContact O-N 3.16Å
273A97.4Very high96.7Very high92 Ų9258.5 Ų58.576%0.7634%0.336SS*.THydrogen-bonded Turntrans-65.8-27.6176.100000112.4P270 G275P270-A273 PolarHBondContact O-N 3.37Å; A273-G275 VanDerWaalsContact C-N 3.29Å; A273-G275 PolarHBondContact O-N 3.47Å
274L96.8Very high96.6Very high82 Ų8260.1 Ų60.143%0.42935%0.347SS..THydrogen-bonded Turntrans-84.63.6177.2-63168.9000113.5P270 F271 S272 W276 Y383P270-L274 HydrophobicContact CB-CD1 4.17Å; P270-L274 HydrophobicContact CG-CD1 4.48Å; P270-L274 VanDerWaalsContact O-CG 3.29Å; P270-L274 WeakPolarHBondContact O-CG 3.37Å; P270-L274 PolarHBondContact O-N 3.1Å; P270-L274 VanDerWaalsContact O-N 3.12Å; F271-L274 CarbonylContact O-C 3.56Å; F271-L274 PolarHBondContact O-N 3.45Å; S272-L274 PolarHBondContact O-N 2.87Å; L274-W276 VanDerWaalsContact C-N 3.31Å; L274-W276 VanDerWaalsContact CB-CD1 3.45Å; L274-W276 PolarHBondContact O-N 3Å; L274-Y383 HydrophobicContact CD1-CD1 4.2Å; L274-Y383 HydrophobicContact CD1-CD2 4.4Å; L274-Y383 HydrophobicContact CD1-CE1 3.63Å; L274-Y383 HydrophobicContact CD1-CE2 3.84Å; L274-Y383 VanDerWaalsContact CD1-CZ 3.42Å
275G96.4Very high96.4Very high45 Ų4560 Ų6046%0.46435%0.346SS..THydrogen-bonded Turntrans71.719.8177.500000114.9F271 S272 A273 R277 R278F271-G275 PolarHBondContact O-N 3.4Å; S272-G275 PolarHBondContact O-N 2.83Å; S272-G275 VanDerWaalsContact O-N 3.16Å; A273-G275 VanDerWaalsContact C-N 3.29Å; A273-G275 PolarHBondContact O-N 3.47Å; G275-R277 PolarHBondContact O-N 3.46Å; G275-R278 PolarHBondContact O-N 3.32Å
276W97.4Very high96.1Very high8 Ų858.5 Ų58.53%0.0334%0.341CS..G310 helixtrans-63.5-17.5-173.7-84.743.1000114.8L264 F271 L274 R278 L279 V280 Y383 F391 Y394 I395 I408L264-W276 HydrophobicContact CD1-CE3 4.31Å; L264-W276 HydrophobicContact CD1-CZ3 3.82Å; F271-W276 HydrophobicContact CB-CB 3.87Å; F271-W276 HydrophobicContact CB-CD2 4.1Å; F271-W276 HydrophobicContact CB-CE3 4.33Å; F271-W276 HydrophobicContact CB-CG 3.86Å; F271-W276 AromaticContact CD1-CD2 3.35Å; F271-W276 HydrophobicContact CD1-CD2 3.35Å; F271-W276 AromaticContact CD1-CE2 3.57Å; F271-W276 AromaticContact CD1-CE3 3.44Å; F271-W276 HydrophobicContact CD1-CE3 3.44Å; F271-W276 VanDerWaalsContact CD1-CE3 3.44Å; F271-W276 AromaticContact CD1-CG 3.93Å; F271-W276 HydrophobicContact CD1-CG 3.93Å; F271-W276 HydrophobicContact CD1-CH2 4.12Å; F271-W276 AromaticContact CD1-CZ2 3.96Å; F271-W276 HydrophobicContact CD1-CZ2 3.96Å; F271-W276 AromaticContact CD1-CZ3 3.83Å; F271-W276 HydrophobicContact CD1-CZ3 3.83Å; F271-W276 HydrophobicContact CE1-CD2 4.13Å; F271-W276 AromaticContact CE1-CE3 3.96Å; F271-W276 HydrophobicContact CE1-CE3 3.96Å; F271-W276 AromaticContact CE1-CH2 3.9Å; F271-W276 HydrophobicContact CE1-CH2 3.9Å; F271-W276 AromaticContact CE1-CZ2 3.97Å; F271-W276 HydrophobicContact CE1-CZ2 3.97Å; F271-W276 AromaticContact CE1-CZ3 3.85Å; F271-W276 HydrophobicContact CE1-CZ3 3.85Å; F271-W276 HydrophobicContact CG-CD2 4.11Å; F271-W276 HydrophobicContact CG-CE3 4.09Å; F271-W276 HydrophobicContact CG-CG 4.37Å; F271-W276 VanDerWaalsContact O-CB 3.31Å; F271-W276 WeakPolarHBondContact O-CB 3.45Å; F271-W276 PolarHBondContact O-N 3.17Å; L274-W276 VanDerWaalsContact C-N 3.31Å; L274-W276 VanDerWaalsContact CB-CD1 3.45Å; L274-W276 PolarHBondContact O-N 3Å; W276-R278 PolarHBondContact O-N 3.11Å; W276-R278 VanDerWaalsContact O-N 3.09Å; W276-L279 HydrophobicContact CD2-CD2 4.27Å; W276-L279 HydrophobicContact CZ2-CD2 4.43Å; W276-L279 WeakPolarHBondContact O-CB 3.38Å; W276-L279 PolarHBondContact O-N 2.83Å; W276-V280 HydrophobicContact CE3-CG1 3.85Å; W276-V280 HydrophobicContact CZ3-CG1 4.44Å; W276-V280 WeakPolarHBondContact O-CG2 3.41Å; W276-V280 PolarHBondContact O-N 3.17Å; W276-Y383 HydrophobicContact CZ2-CE2 4.27Å; W276-F391 HydrophobicContact CH2-CB 4.48Å; W276-F391 AromaticContact CH2-CD1 3.53Å; W276-F391 HydrophobicContact CH2-CD1 3.53Å; W276-F391 HydrophobicContact CH2-CE1 4.21Å; W276-F391 HydrophobicContact CH2-CG 4.41Å; W276-F391 HydrophobicContact CZ2-CB 4.37Å; W276-F391 HydrophobicContact CZ2-CD1 4Å; W276-F391 HydrophobicContact CZ3-CD1 4.44Å; W276-Y394 AromaticContact CH2-CD1 3.81Å; W276-Y394 HydrophobicContact CH2-CD1 3.81Å; W276-Y394 HydrophobicContact CH2-CE1 4.09Å; W276-Y394 HydrophobicContact CZ3-CD1 4.08Å; W276-Y394 AromaticContact CZ3-CE1 3.88Å; W276-Y394 HydrophobicContact CZ3-CE1 3.88Å; W276-I395 HydrophobicContact CZ2-CD1 4.22Å; W276-I395 HydrophobicContact CZ2-CG1 4.26Å; W276-I408 HydrophobicContact CH2-CD1 3.91Å; W276-I408 HydrophobicContact CZ3-CD1 3.82Å
277R96.1Very high95.8Very high188 Ų18863.9 Ų63.971%0.70937%0.366SS*.G310 helixtrans-55.1-28.5177.7-169.4172.3-175.1124.62.1113.4G275G275-R277 PolarHBondContact O-N 3.46Å
278R94.8Very high95.6Very high242 Ų24262.9 Ų62.991%0.91336%0.358SS*.G310 helixtrans-86.9-16.5176.4-62.3-177.9-178.7179.50.6113.4G275 W276G275-R278 PolarHBondContact O-N 3.32Å; W276-R278 PolarHBondContact O-N 3.11Å; W276-R278 VanDerWaalsContact O-N 3.09Å
279L96Very high95.2Very high29 Ų2963.4 Ų63.415%0.15236%0.36CS..THydrogen-bonded Turntrans-92.6-45.4-174.6-173.972.3000111.9W276 Y394 I395 R398W276-L279 HydrophobicContact CD2-CD2 4.27Å; W276-L279 HydrophobicContact CZ2-CD2 4.43Å; W276-L279 WeakPolarHBondContact O-CB 3.38Å; W276-L279 PolarHBondContact O-N 2.83Å; L279-Y394 HydrophobicContact CD2-CD1 3.98Å; L279-Y394 HydrophobicContact CD2-CE1 3.74Å; L279-Y394 HydrophobicContact CG-CE1 4.03Å; L279-I395 HydrophobicContact CD2-CB 4.3Å; L279-I395 HydrophobicContact CD2-CG1 3.57Å; L279-R398 HydrophobicContact CD1-CB 3.5Å; L279-R398 HydrophobicContact CD1-CG 4.27Å; L279-R398 HydrophobicContact CG-CB 4.05Å; L279-R398 HydrophobicContact CG-CG 4.28Å; L279-R398 PolarHBondContact O-NE 2.89Å
280V96.9Very high94.6Very high9 Ų966 Ų666%0.05537%0.372CS..SBendtrans-72.8154.8-179.2-570000111.4W276 A282W276-V280 HydrophobicContact CE3-CG1 3.85Å; W276-V280 HydrophobicContact CZ3-CG1 4.44Å; W276-V280 WeakPolarHBondContact O-CG2 3.41Å; W276-V280 PolarHBondContact O-N 3.17Å; V280-A282 PolarHBondContact O-N 3.44Å
281P96.8Very high94.1Very high21 Ų2175.6 Ų75.614%0.13641%0.406CS..  trans-60.3136.1175.8-23.234.3000112.2F406 Y407P281-F406 VanDerWaalsContact CD-O 3.26Å; P281-F406 WeakPolarHBondContact CD-O 3.39Å; P281-F406 WeakPolarHBondContact CG-O 3.29Å; P281-Y407 HydrophobicContact CB-CD1 4.24Å; P281-Y407 HydrophobicContact CB-CE1 3.52Å; P281-Y407 HydrophobicContact CB-CE2 4.41Å; P281-Y407 HydrophobicContact CG-CD1 3.88Å; P281-Y407 HydrophobicContact CG-CD2 4.37Å; P281-Y407 HydrophobicContact CG-CE1 3.64Å; P281-Y407 HydrophobicContact CG-CE2 4.14Å; P281-Y407 HydrophobicContact CG-CG 4.24Å
282A93.9Very high93.6Very high105 Ų10576.3 Ų76.387%0.86841%0.414SS*.SBendtrans-70.1-32.2-179.200000113.2V280V280-A282 PolarHBondContact O-N 3.44Å
283V94.8Very high93.6Very high71 Ų7175 Ų7543%0.4340%0.402SS..SBendtrans-91.5123.6177.3-177.90000108.9Q287 L288 Y407V283-Q287 HydrophobicContact CG1-CB 4.13Å; V283-L288 HydrophobicContact CB-CD2 4.28Å; V283-L288 HydrophobicContact CG1-CD2 4.03Å; V283-Y407 VanDerWaalsContact O-CE1 3.28Å; V283-Y407 WeakPolarHBondContact O-CE1 3.3Å; V283-Y407 PolarHBondContact O-OH 2.6Å
284P94.4Very high93.5Very high49 Ų4978.8 Ų78.832%0.31840%0.397SS..  trans-59147.1175.7-2433.9000112.5S286 Q287 L288P284-S286 VanDerWaalsContact C-N 3.3Å; P284-S286 PolarHBondContact O-N 3.12Å; P284-Q287 HydrophobicContact CB-CB 4.4Å; P284-Q287 HydrophobicContact CB-CG 4.28Å; P284-Q287 HydrophobicContact CG-CG 4.45Å; P284-Q287 WeakPolarHBondContact O-CA 3.38Å; P284-Q287 PolarHBondContact O-N 2.94Å; P284-L288 PolarHBondContact O-N 3.27Å
285L94.9Very high93.6Very high2 Ų276.2 Ų76.21%0.0139%0.386CS..G310 helixtrans-53.2-44.5-178.3177.660.4000113.1V261 T263 Q287 L288 I366 V368 Y407 I443 M447V261-L285 HydrophobicContact CG1-CD2 4.2Å; T263-L285 HydrophobicContact CG2-CB 4.04Å; T263-L285 HydrophobicContact CG2-CD2 4.24Å; L285-Q287 PolarHBondContact O-N 2.96Å; L285-L288 HydrophobicContact CD1-CD1 3.89Å; L285-L288 PolarHBondContact O-N 2.9Å; L285-I366 HydrophobicContact CD1-CG2 4.02Å; L285-V368 HydrophobicContact CD1-CG2 4.25Å; L285-V368 HydrophobicContact CD2-CG1 4.31Å; L285-V368 HydrophobicContact CD2-CG2 3.8Å; L285-Y407 HydrophobicContact CB-CD1 4.09Å; L285-Y407 HydrophobicContact CB-CD2 4.34Å; L285-Y407 HydrophobicContact CB-CE1 4.07Å; L285-Y407 HydrophobicContact CB-CE2 4.34Å; L285-Y407 HydrophobicContact CB-CG 4.23Å; L285-Y407 HydrophobicContact CD1-CD2 3.99Å; L285-Y407 HydrophobicContact CD1-CE2 3.94Å; L285-I443 HydrophobicContact CD2-CD1 4.49Å; L285-I443 HydrophobicContact CD2-CG2 3.92Å; L285-I443 HydrophobicContact CG-CG2 4.47Å; L285-M447 HydrophobicContact CD1-SD 4.11Å; L285-M447 HydrophobicContact CG-SD 4.22Å
286S89.2Confident93.7Very high40 Ų4074.1 Ų74.128%0.2836%0.364SS..G310 helixtrans-67.1-15.9178.954.30000114P284P284-S286 VanDerWaalsContact C-N 3.3Å; P284-S286 PolarHBondContact O-N 3.12Å
287Q91.3Very high93.8Very high115 Ų11573.7 Ų73.754%0.53736%0.362SS..G310 helixtrans-104.61-178-63-178.51000113.2V283 P284 L285 H289 P290V283-Q287 HydrophobicContact CG1-CB 4.13Å; P284-Q287 HydrophobicContact CB-CB 4.4Å; P284-Q287 HydrophobicContact CB-CG 4.28Å; P284-Q287 HydrophobicContact CG-CG 4.45Å; P284-Q287 WeakPolarHBondContact O-CA 3.38Å; P284-Q287 PolarHBondContact O-N 2.94Å; L285-Q287 PolarHBondContact O-N 2.96Å; Q287-H289 PolarHBondContact O-N 2.89Å; Q287-P290 WeakPolarHBondContact O-CD 3.33Å
288L91.4Very high93.9Very high47 Ų4764.8 Ų64.825%0.24633%0.329CS..SBendtrans-59.5-31.9175.5-73.7-179.2000112.5V283 P284 L285 I366 Y407V283-L288 HydrophobicContact CB-CD2 4.28Å; V283-L288 HydrophobicContact CG1-CD2 4.03Å; P284-L288 PolarHBondContact O-N 3.27Å; L285-L288 HydrophobicContact CD1-CD1 3.89Å; L285-L288 PolarHBondContact O-N 2.9Å; L288-I366 HydrophobicContact CD1-CD1 3.75Å; L288-I366 HydrophobicContact CD1-CG1 4.3Å; L288-I366 HydrophobicContact CD1-CG2 4.27Å; L288-Y407 HydrophobicContact CD1-CE2 4Å; L288-Y407 WeakPolarHBondContact CD2-OH 3.47Å
289H90.1Very high94.1Very high60 Ų6053.4 Ų53.428%0.27829%0.286SS..SBendtrans-125.878.9175.4-60.2-65.5000109.9Q287 R291 G292 L293Q287-H289 PolarHBondContact O-N 2.89Å; H289-R291 PolarHBondContact O-N 3.47Å; H289-G292 WeakPolarHBondContact O-CA 3.22Å; H289-G292 PolarHBondContact O-N 2.86Å; H289-L293 HydrophobicContact CB-CD2 4.47Å; H289-L293 HydrophobicContact CB-CG 4.18Å
290P84.3Confident94.2Very high108 Ų10852.6 Ų52.670%0.70128%0.282SS*.THydrogen-bonded Turntrans-65.6-24.9-171.926-33.6000113Q287 G292Q287-P290 WeakPolarHBondContact O-CD 3.33Å; P290-G292 VanDerWaalsContact C-N 3.31Å
291R86.9Confident94.3Very high220 Ų22052.9 Ų52.983%0.8328%0.284SS*.THydrogen-bonded Turntrans-84.2-4.7174.1-65.8-167.1-75.9-158.5-2.8114.1H289H289-R291 PolarHBondContact O-N 3.47Å
292G88.6Confident94.4Very high16 Ų1652.7 Ų52.717%0.16528%0.284CS..  trans69.9147.2-171.200000113.1H289 P290 M447H289-G292 WeakPolarHBondContact O-CA 3.22Å; H289-G292 PolarHBondContact O-N 2.86Å; P290-G292 VanDerWaalsContact C-N 3.31Å; G292-M447 CarbonylContact C-O 3.58Å; G292-M447 WeakPolarHBondContact CA-O 3.45Å
293L96.4Very high94.6Very high26 Ų2647.9 Ų47.914%0.13625%0.245CC..EExtended strand (participates in β ladder)trans-78.9151.2166.4-61.8171.8000109.6H289 D318 A319 M447 C448 R449H289-L293 HydrophobicContact CB-CD2 4.47Å; H289-L293 HydrophobicContact CB-CG 4.18Å; L293-D318 HydrophobicContact CB-CB 4.27Å; L293-D318 HydrophobicContact CD2-CB 4.24Å; L293-A319 HydrophobicContact CD1-CB 3.49Å; L293-A319 VanDerWaalsContact CD1-CB 3.49Å; L293-M447 PolarHBondContact N-O 3.11Å; L293-C448 HydrophobicContact CB-CB 4.37Å; L293-C448 CarbonylContact O-C 3.5Å; L293-C448 WeakPolarHBondContact O-CA 3.32Å; L293-R449 PolarHBondContact O-N 3.04Å
294R96.9Very high94.7Very high172 Ų17244.8 Ų44.865%0.64923%0.227SC*.EExtended strand (participates in β ladder)trans-72.7-54.1-177.9-60.1173.7-67.5161.40.7110.3D318 E450R294-D318 WeakPolarHBondContact CA-OD2 3.47Å; R294-D318 WeakPolarHBondContact CB-OD2 3.39Å; R294-D318 IonicContact CZ-OD1 2.75Å; R294-D318 PolarHBondContact N-OD2 2.73Å; R294-D318 IonicContact NE-OD1 2.84Å; R294-D318 IonicContact NE-OD2 3.61Å; R294-D318 PolarHBondContact NE-OD2 2.99Å; R294-D318 IonicContact NH2-OD1 2.62Å; R294-D318 PolarHBondContact NH2-OD1 3.06Å; R294-E450 PolarHBondContact O-N 3.01Å
295S98.1Very high94.9Very high28 Ų2842.5 Ų42.520%0.19621%0.211CC..EExtended strand (participates in β ladder)trans-135.8141.9-179.866.80000111.3D318 E450S295-D318 PolarHBondContact N-OD2 3.4Å; S295-D318 WeakPolarHBondContact O-CB 3.46Å; S295-D318 PolarHBondContact O-N 3.16Å; S295-E450 WeakPolarHBondContact CA-O 3.43Å
296C98.8Very high95.1Very high0 Ų044.5 Ų44.50%022%0.222CC..EExtended strand (participates in β ladder)trans-133.7143.7177.8-66.60000111.7H317 A319 M444 C448 E450 V451 H452C296-H317 VanDerWaalsContact C-CD2 3.4Å; C296-A319 CarbonylContact C-O 3.54Å; C296-A319 VanDerWaalsContact CA-O 3.29Å; C296-A319 WeakPolarHBondContact CA-O 3.47Å; C296-M444 HydrophobicContact CB-CE 3.53Å; C296-C448 HydrophobicContact CB-CB 3.65Å; C296-C448 WeakPolarHBondContact CB-SG 3.38Å; C296-C448 WeakPolarHBondContact SG-CB 3.29Å; C296-C448 CovalentContact SG-SG 2.01Å; C296-C448 PolarHBondContact SG-SG 3.47Å; C296-E450 PolarHBondContact N-O 2.76Å; C296-V451 CarbonylContact O-C 3.55Å; C296-V451 WeakPolarHBondContact O-CA 3.16Å; C296-H452 PolarHBondContact O-N 3.04Å
297A98.9Very high95.5Very high0 Ų049.5 Ų49.50%025%0.245CC..EExtended strand (participates in β ladder)trans-103.2138.7173.200000110.9V299 I314 H317 A319 V320 L321 H452 Y454A297-V299 HydrophobicContact CB-CG2 4.43Å; A297-I314 HydrophobicContact CB-CG2 4.22Å; A297-H317 HydrophobicContact CB-CB 4.16Å; A297-A319 PolarHBondContact N-O 3.08Å; A297-V320 HydrophobicContact CB-CG1 4.45Å; A297-V320 HydrophobicContact CB-CG2 4.2Å; A297-V320 CarbonylContact O-C 3.43Å; A297-V320 WeakPolarHBondContact O-CA 3.31Å; A297-L321 PolarHBondContact O-N 3.29Å; A297-H452 CarbonylContact C-O 3.5Å; A297-H452 VanDerWaalsContact CA-O 3.32Å; A297-H452 WeakPolarHBondContact CA-O 3.45Å; A297-Y454 HydrophobicContact CB-CD2 4.25Å; A297-Y454 HydrophobicContact CB-CE2 3.79Å
298V98.9Very high95.8Very high0 Ų044.9 Ų44.90%023%0.226CC..EExtended strand (participates in β ladder)trans-115.8112.8168-176.30000107.5M300 L321 F323 I441 M444 V451 H452 V453 Y454V298-M300 HydrophobicContact CB-CE 4.4Å; V298-M300 HydrophobicContact CG1-CE 3.37Å; V298-L321 HydrophobicContact CG1-CD2 3.96Å; V298-L321 HydrophobicContact CG2-CB 4.44Å; V298-F323 HydrophobicContact CG1-CE2 3.82Å; V298-F323 HydrophobicContact CG1-CZ 3.51Å; V298-I441 HydrophobicContact CG1-CG1 4.25Å; V298-M444 HydrophobicContact CG2-CB 3.93Å; V298-M444 HydrophobicContact CG2-CG 3.63Å; V298-V451 HydrophobicContact CG2-CG1 3.61Å; V298-H452 PolarHBondContact N-O 3.29Å; V298-V453 HydrophobicContact CB-CB 4.42Å; V298-V453 HydrophobicContact CB-CG1 4.12Å; V298-V453 HydrophobicContact CB-CG2 4.24Å; V298-V453 HydrophobicContact CG1-CG1 4.31Å; V298-V453 HydrophobicContact CG2-CG2 4.46Å; V298-V453 WeakPolarHBondContact O-CA 3.42Å; V298-Y454 PolarHBondContact O-N 3.34Å
299V98.9Very high96.2Very high3 Ų346 Ų462%0.01824%0.237CC..EExtended strand (participates in β ladder)trans-106.1108.4-171.6-1750000109.4A297 I305 I314 V320 L321 F323 V335A297-V299 HydrophobicContact CB-CG2 4.43Å; V299-I305 HydrophobicContact CG1-CD1 3.54Å; V299-I314 HydrophobicContact CG1-CD1 4.28Å; V299-I314 HydrophobicContact CG2-CD1 3.98Å; V299-I314 HydrophobicContact CG2-CG1 4.19Å; V299-I314 HydrophobicContact CG2-CG2 3.64Å; V299-V320 HydrophobicContact CG2-CG1 3.8Å; V299-L321 PolarHBondContact N-O 2.88Å; V299-F323 WeakPolarHBondContact O-CD2 3.49Å; V299-F323 WeakPolarHBondContact O-CE2 3.49Å; V299-V335 HydrophobicContact CG1-CB 4.37Å
300M98.5Very high96.6Very high13 Ų1343.4 Ų43.46%0.06423%0.226CC..  trans-69.5154.1177.8-62.3-56.2149.900111.7V298 A302 F323 I441 V453 Y454 Y456V298-M300 HydrophobicContact CB-CE 4.4Å; V298-M300 HydrophobicContact CG1-CE 3.37Å; M300-A302 HydrophobicContact CB-CB 4.44Å; M300-A302 PolarHBondContact O-N 3.18Å; M300-F323 HydrophobicContact CE-CE2 3.87Å; M300-F323 HydrophobicContact CE-CZ 3.76Å; M300-F323 HydrophobicContact SD-CD2 4.25Å; M300-F323 HydrophobicContact SD-CE2 3.5Å; M300-F323 VanDerWaalsContact SD-CE2 3.5Å; M300-F323 HydrophobicContact SD-CZ 3.79Å; M300-I441 HydrophobicContact CE-CD1 4.17Å; M300-I441 HydrophobicContact CE-CG1 4.17Å; M300-V453 HydrophobicContact CE-CG1 3.5Å; M300-V453 VanDerWaalsContact CE-CG1 3.5Å; M300-Y454 WeakPolarHBondContact CB-O 3.36Å; M300-Y454 WeakPolarHBondContact CG-O 3.43Å; M300-Y454 PolarHBondContact N-O 3.16Å; M300-Y456 HydrophobicContact CE-CD2 3.5Å; M300-Y456 VanDerWaalsContact CE-CD2 3.5Å; M300-Y456 HydrophobicContact CE-CE2 4.3Å; M300-Y456 HydrophobicContact CE-CG 3.99Å; M300-Y456 HydrophobicContact CG-CD2 3.87Å; M300-Y456 HydrophobicContact CG-CG 4.29Å; M300-Y456 HydrophobicContact SD-CD2 3.55Å; M300-Y456 VanDerWaalsContact SD-CD2 3.55Å; M300-Y456 HydrophobicContact SD-CE2 4.33Å; M300-Y456 HydrophobicContact SD-CG 4.4Å
301S98.5Very high97.3Very high15 Ų1538.3 Ų38.311%0.10519%0.193CC..  trans-76.40.1176.4-550000113.8H467 Y468S301-H467 CarbonylContact O-C 3.55Å; S301-H467 WeakPolarHBondContact O-CA 3.35Å; S301-Y468 VanDerWaalsContact O-CD1 3.25Å; S301-Y468 WeakPolarHBondContact O-CD1 3.14Å; S301-Y468 PolarHBondContact O-N 3.04Å
302A98.1Very high97.8Very high17 Ų1736.2 Ų36.214%0.1419%0.193CC..BIsolated β-bridgetrans-58.5141-170.500000113.1M300 S304 I305 E455M300-A302 HydrophobicContact CB-CB 4.44Å; M300-A302 PolarHBondContact O-N 3.18Å; A302-S304 PolarHBondContact O-N 2.59Å; A302-S304 VanDerWaalsContact O-N 3.15Å; A302-I305 VanDerWaalsContact O-CG2 3.25Å; A302-I305 WeakPolarHBondContact O-CG2 3.29Å; A302-I305 PolarHBondContact O-N 2.95Å; A302-E455 HydrophobicContact CB-CB 4.28Å
303G98Very high98.3Very high4 Ų437.6 Ų37.64%0.04120%0.195CC..G310 helixtrans-61.1-22.117700000114.5I305 L306 L465 C466G303-I305 PolarHBondContact O-N 3.05Å; G303-I305 VanDerWaalsContact O-N 3.13Å; G303-L306 PolarHBondContact O-N 2.97Å; G303-L465 WeakPolarHBondContact CA-O 3.3Å; G303-L465 PolarHBondContact N-O 2.94Å; G303-C466 PolarHBondContact N-O 3.29Å
304S97.5Very high98.4Very high6 Ų636.3 Ų36.34%0.04219%0.188CC..G310 helixtrans-67-9.7178.857.20000114.4A302 L306 E455 R461A302-S304 PolarHBondContact O-N 2.59Å; A302-S304 VanDerWaalsContact O-N 3.15Å; S304-L306 VanDerWaalsContact C-N 3.3Å; S304-E455 VanDerWaalsContact CB-OE2 3.32Å; S304-E455 WeakPolarHBondContact CB-OE2 3.48Å; S304-E455 PolarHBondContact OG-OE2 3.09Å; S304-R461 WeakPolarHBondContact CA-O 3.39Å; S304-R461 WeakPolarHBondContact CB-O 3.47Å; S304-R461 WeakPolarHBondContact O-CB 3.43Å; S304-R461 PolarHBondContact O-NE 3.38Å
305I98.6Very high98.5Very high0 Ų030.4 Ų30.40%017%0.169CC..G310 helixtrans-75.7-18.9174.9-155.8161.5000113V299 A302 G303 S308 I314 D334 V335 E455 Y468V299-I305 HydrophobicContact CG1-CD1 3.54Å; A302-I305 VanDerWaalsContact O-CG2 3.25Å; A302-I305 WeakPolarHBondContact O-CG2 3.29Å; A302-I305 PolarHBondContact O-N 2.95Å; G303-I305 PolarHBondContact O-N 3.05Å; G303-I305 VanDerWaalsContact O-N 3.13Å; I305-S308 WeakPolarHBondContact O-CB 2.99Å; I305-S308 PolarHBondContact O-N 3.13Å; I305-S308 PolarHBondContact O-OG 3.24Å; I305-I314 HydrophobicContact CD1-CD1 4.45Å; I305-D334 WeakPolarHBondContact O-CB 3.27Å; I305-V335 HydrophobicContact CD1-CG1 3.96Å; I305-V335 HydrophobicContact CG1-CG1 4.18Å; I305-V335 HydrophobicContact CG2-CG1 3.74Å; I305-E455 HydrophobicContact CB-CB 4.41Å; I305-E455 HydrophobicContact CB-CG 3.9Å; I305-E455 HydrophobicContact CD1-CG 4.5Å; I305-E455 HydrophobicContact CG1-CG 4.09Å; I305-Y468 HydrophobicContact CG2-CD1 3.65Å; I305-Y468 HydrophobicContact CG2-CG 3.9Å
306L98.4Very high98.5Very high44 Ų4433.1 Ų33.123%0.2319%0.188CC..THydrogen-bonded Turntrans-63.3144.2178.8-66.7175.5000111.5G303 S304 S308 Y331 D334 R461 L465G303-L306 PolarHBondContact O-N 2.97Å; S304-L306 VanDerWaalsContact C-N 3.3Å; L306-S308 PolarHBondContact O-N 2.91Å; L306-Y331 HydrophobicContact CD2-CD1 3.68Å; L306-Y331 HydrophobicContact CD2-CE1 3.82Å; L306-D334 WeakPolarHBondContact CA-OD2 3.25Å; L306-R461 WeakPolarHBondContact O-CD 3.16Å; L306-L465 HydrophobicContact CD1-CD2 3.64Å
307N97.9Very high98.5Very high145 Ų14533.4 Ų33.478%0.77519%0.19SC*.THydrogen-bonded Turntrans56.826.8-176.5-55.5-55.9000114D334N307-D334 WeakPolarHBondContact CA-OD1 3.4Å; N307-D334 PolarHBondContact N-OD1 2.72Å; N307-D334 PolarHBondContact N-OD2 2.97Å
308S98.3Very high98.5Very high19 Ų1936 Ų3613%0.13320%0.204CC..  trans-88.8-23179.169.10000112.9I305 L306 L310 D334I305-S308 WeakPolarHBondContact O-CB 2.99Å; I305-S308 PolarHBondContact O-N 3.13Å; I305-S308 PolarHBondContact O-OG 3.24Å; L306-S308 PolarHBondContact O-N 2.91Å; S308-L310 PolarHBondContact O-N 3.27Å; S308-L310 WeakPolarHBondContact OG-CD1 3.4Å; S308-L310 WeakPolarHBondContact OG-CG 3.42Å; S308-L310 PolarHBondContact OG-N 3.15Å; S308-D334 PolarHBondContact N-OD1 3.03Å
309S98.5Very high98.5Very high69 Ų6936 Ų3648%0.48320%0.204SC..  trans54.430.5-172.6-51.20000113.6G311 K333 D334S309-G311 VanDerWaalsContact C-N 3.31Å; S309-K333 CarbonylContact C-O 3.26Å; S309-K333 VanDerWaalsContact C-O 3.26Å; S309-K333 VanDerWaalsContact CA-O 3.25Å; S309-K333 WeakPolarHBondContact CA-O 3.3Å; S309-K333 VanDerWaalsContact OG-CE 3.27Å; S309-K333 WeakPolarHBondContact OG-CE 3.38Å; S309-D334 PolarHBondContact N-OD1 3.21Å
310L98.8Very high98.5Very high6 Ų635.9 Ų35.93%0.03120%0.203CC..  trans-83.1-3.9-177.8-67.9169.2000113.6S308 E312 E313 I314 K333 Y454 K506S308-L310 PolarHBondContact O-N 3.27Å; S308-L310 WeakPolarHBondContact OG-CD1 3.4Å; S308-L310 WeakPolarHBondContact OG-CG 3.42Å; S308-L310 PolarHBondContact OG-N 3.15Å; L310-E312 PolarHBondContact O-N 3.11Å; L310-E313 PolarHBondContact O-N 3.49Å; L310-E313 VanDerWaalsContact O-N 3.15Å; L310-I314 HydrophobicContact CB-CD1 3.95Å; L310-I314 HydrophobicContact CB-CG1 4.4Å; L310-I314 WeakPolarHBondContact O-CG1 3.46Å; L310-I314 PolarHBondContact O-N 3.02Å; L310-K333 PolarHBondContact N-O 3.33Å; L310-Y454 HydrophobicContact CD1-CD1 3.94Å; L310-Y454 HydrophobicContact CD1-CE1 4.49Å; L310-Y454 HydrophobicContact CD2-CE1 4.36Å; L310-K506 HydrophobicContact CD2-CB 4.02Å; L310-K506 HydrophobicContact CD2-CD 3.9Å; L310-K506 HydrophobicContact CD2-CG 3.96Å
311G98.8Very high98.5Very high2 Ų235.3 Ų35.32%0.02120%0.2CC..Hα-helixtrans-59.3-43.7-169.600000114.7S309 I314 D315 E332 K333 D334 G336S309-G311 VanDerWaalsContact C-N 3.31Å; G311-I314 PolarHBondContact O-N 3.21Å; G311-D315 WeakPolarHBondContact O-CB 3.41Å; G311-D315 PolarHBondContact O-N 3.43Å; G311-E332 WeakPolarHBondContact CA-O 3.42Å; G311-K333 WeakPolarHBondContact CA-O 3.09Å; G311-K333 PolarHBondContact N-O 3.3Å; G311-D334 PolarHBondContact N-O 3.47Å; G311-G336 VanDerWaalsContact CA-N 3.26Å
312E98.8Very high98.5Very high175 Ų17534.6 Ų34.682%0.81820%0.195SC*.Hα-helixtrans-65.6-41.4177.1-172.4-178.7175.600111.9L310 D315 S316L310-E312 PolarHBondContact O-N 3.11Å; E312-D315 PolarHBondContact O-N 3.36Å; E312-S316 PolarHBondContact O-N 3Å
313E98.7Very high98.6Very high45 Ų4534.2 Ų34.221%0.2119%0.19CC..Hα-helixtrans-63.2-44.2176-172.6-176.3135.100110.9L310 S316 H317 Y454 K506 K508L310-E313 PolarHBondContact O-N 3.49Å; L310-E313 VanDerWaalsContact O-N 3.15Å; E313-S316 WeakPolarHBondContact O-CB 3.5Å; E313-S316 PolarHBondContact O-N 3.35Å; E313-S316 PolarHBondContact O-OG 3.19Å; E313-H317 PolarHBondContact O-CE1 3.41Å; E313-H317 VanDerWaalsContact O-CE1 3.3Å; E313-H317 PolarHBondContact O-ND1 2.7Å; E313-Y454 WeakPolarHBondContact OE1-CE1 3.4Å; E313-Y454 PolarHBondContact OE1-OH 3.17Å; E313-K506 IonicContact OE2-NZ 3.38Å; E313-K506 PolarHBondContact OE2-NZ 3.4Å; E313-K508 VanDerWaalsContact OE1-CD 3.24Å; E313-K508 WeakPolarHBondContact OE1-CD 3.45Å; E313-K508 WeakPolarHBondContact OE1-CE 3.48Å; E313-K508 IonicContact OE1-NZ 3.68Å; E313-K508 PolarHBondContact OE1-NZ 3.48Å
314I98.9Very high98.6Very high0 Ų035.6 Ų35.60%020%0.197CC..Hα-helixtrans-59.5-48.9176.4-71.2164.5000110.1A297 V299 I305 L310 G311 S316 H317 V320 Y454A297-I314 HydrophobicContact CB-CG2 4.22Å; V299-I314 HydrophobicContact CG1-CD1 4.28Å; V299-I314 HydrophobicContact CG2-CD1 3.98Å; V299-I314 HydrophobicContact CG2-CG1 4.19Å; V299-I314 HydrophobicContact CG2-CG2 3.64Å; I305-I314 HydrophobicContact CD1-CD1 4.45Å; L310-I314 HydrophobicContact CB-CD1 3.95Å; L310-I314 HydrophobicContact CB-CG1 4.4Å; L310-I314 WeakPolarHBondContact O-CG1 3.46Å; L310-I314 PolarHBondContact O-N 3.02Å; G311-I314 PolarHBondContact O-N 3.21Å; I314-S316 PolarHBondContact O-N 3.23Å; I314-H317 WeakPolarHBondContact O-CB 3.44Å; I314-H317 PolarHBondContact O-N 3.08Å; I314-H317 PolarHBondContact O-ND1 3.35Å; I314-H317 VanDerWaalsContact O-ND1 3.11Å; I314-V320 HydrophobicContact CG2-CG1 4.02Å; I314-V320 HydrophobicContact CG2-CG2 4.05Å; I314-Y454 HydrophobicContact CG1-CD1 4.48Å; I314-Y454 HydrophobicContact CG1-CD2 4.01Å; I314-Y454 HydrophobicContact CG1-CE1 4.32Å; I314-Y454 HydrophobicContact CG1-CE2 3.88Å; I314-Y454 HydrophobicContact CG1-CG 4.31Å
315D98.9Very high98.5Very high47 Ų4736.5 Ų36.525%0.25120%0.203SC..Hα-helixtrans-69.3-16.4-177.4-76.4-13.3000113.4G311 E312 H317 G336 N337 K338G311-D315 WeakPolarHBondContact O-CB 3.41Å; G311-D315 PolarHBondContact O-N 3.43Å; E312-D315 PolarHBondContact O-N 3.36Å; D315-H317 PolarHBondContact O-N 3.32Å; D315-G336 WeakPolarHBondContact OD2-CA 3.5Å; D315-N337 PolarHBondContact OD1-N 3.36Å; D315-N337 VanDerWaalsContact OD1-N 3.08Å; D315-N337 PolarHBondContact OD2-N 2.81Å; D315-K338 PolarHBondContact O-NZ 2.52Å; D315-K338 WeakPolarHBondContact OD1-CB 3.2Å; D315-K338 PolarHBondContact OD1-N 3.39Å
316S98.7Very high98.5Very high85 Ų8536.6 Ų36.659%0.59420%0.204SC*.THydrogen-bonded Turntrans-68.5-14.117478.50000114.4E312 E313 I314E312-S316 PolarHBondContact O-N 3Å; E313-S316 WeakPolarHBondContact O-CB 3.5Å; E313-S316 PolarHBondContact O-N 3.35Å; E313-S316 PolarHBondContact O-OG 3.19Å; I314-S316 PolarHBondContact O-N 3.23Å
317H98.8Very high98.5Very high6 Ų635.8 Ų35.83%0.02820%0.201CC..SBendtrans-77.5153.4-179.1-66.874.7000112.7C296 A297 E313 I314 D315 A319 K338 H452 Y454C296-H317 VanDerWaalsContact C-CD2 3.4Å; A297-H317 HydrophobicContact CB-CB 4.16Å; E313-H317 PolarHBondContact O-CE1 3.41Å; E313-H317 VanDerWaalsContact O-CE1 3.3Å; E313-H317 PolarHBondContact O-ND1 2.7Å; I314-H317 WeakPolarHBondContact O-CB 3.44Å; I314-H317 PolarHBondContact O-N 3.08Å; I314-H317 PolarHBondContact O-ND1 3.35Å; I314-H317 VanDerWaalsContact O-ND1 3.11Å; D315-H317 PolarHBondContact O-N 3.32Å; H317-A319 VanDerWaalsContact C-N 3.3Å; H317-A319 PolarHBondContact O-N 3.37Å; H317-K338 PolarHBondContact O-NZ 3.17Å; H317-H452 AromaticContact NE2-CD2 3.64Å; H317-H452 AromaticContact NE2-CE1 3.95Å; H317-H452 AromaticContact NE2-CG 3.32Å; H317-H452 VanDerWaalsContact NE2-CG 3.32Å; H317-H452 AromaticContact NE2-ND1 3.6Å; H317-Y454 PolarHBondContact CE1-OH 3.15Å; H317-Y454 VanDerWaalsContact CE1-OH 3.23Å
318D98.4Very high98.5Very high55 Ų5529.7 Ų29.729%0.29417%0.17SC..SBendtrans-64.7-36.4178.4-64.1-34.7000111L293 R294 S295L293-D318 HydrophobicContact CB-CB 4.27Å; L293-D318 HydrophobicContact CD2-CB 4.24Å; R294-D318 WeakPolarHBondContact CA-OD2 3.47Å; R294-D318 WeakPolarHBondContact CB-OD2 3.39Å; R294-D318 IonicContact CZ-OD1 2.75Å; R294-D318 PolarHBondContact N-OD2 2.73Å; R294-D318 IonicContact NE-OD1 2.84Å; R294-D318 IonicContact NE-OD2 3.61Å; R294-D318 PolarHBondContact NE-OD2 2.99Å; R294-D318 IonicContact NH2-OD1 2.62Å; R294-D318 PolarHBondContact NH2-OD1 3.06Å; S295-D318 PolarHBondContact N-OD2 3.4Å; S295-D318 WeakPolarHBondContact O-CB 3.46Å; S295-D318 PolarHBondContact O-N 3.16Å
319A98.6Very high98.5Very high1 Ų139.2 Ų39.21%0.00820%0.203CC..EExtended strand (participates in β ladder)trans-140.7150.3174.100000113.3L293 C296 A297 H317 T340 M444L293-A319 HydrophobicContact CD1-CB 3.49Å; L293-A319 VanDerWaalsContact CD1-CB 3.49Å; C296-A319 CarbonylContact C-O 3.54Å; C296-A319 VanDerWaalsContact CA-O 3.29Å; C296-A319 WeakPolarHBondContact CA-O 3.47Å; A297-A319 PolarHBondContact N-O 3.08Å; H317-A319 VanDerWaalsContact C-N 3.3Å; H317-A319 PolarHBondContact O-N 3.37Å; A319-T340 WeakPolarHBondContact CA-OG1 3.5Å; A319-T340 HydrophobicContact CB-CG2 3.83Å; A319-M444 HydrophobicContact CB-CE 4.08Å
320V98.9Very high98.5Very high0 Ų038.9 Ų38.90%021%0.21CC..EExtended strand (participates in β ladder)trans-124.7126.3178.2-178.10000110.2A297 V299 I314 R322 K338 T340 V341A297-V320 HydrophobicContact CB-CG1 4.45Å; A297-V320 HydrophobicContact CB-CG2 4.2Å; A297-V320 CarbonylContact O-C 3.43Å; A297-V320 WeakPolarHBondContact O-CA 3.31Å; V299-V320 HydrophobicContact CG2-CG1 3.8Å; I314-V320 HydrophobicContact CG2-CG1 4.02Å; I314-V320 HydrophobicContact CG2-CG2 4.05Å; V320-R322 HydrophobicContact CG1-CG 4.25Å; V320-K338 HydrophobicContact CB-CG 4.39Å; V320-K338 WeakPolarHBondContact CB-O 3.2Å; V320-K338 WeakPolarHBondContact CG1-O 3.18Å; V320-K338 HydrophobicContact CG2-CB 3.95Å; V320-K338 HydrophobicContact CG2-CD 3.85Å; V320-K338 HydrophobicContact CG2-CG 3.96Å; V320-T340 PolarHBondContact N-OG1 3.14Å; V320-T340 VanDerWaalsContact N-OG1 3.16Å; V320-T340 PolarHBondContact O-N 3.48Å; V320-V341 PolarHBondContact O-N 3.05Å; V320-V341 VanDerWaalsContact O-N 3.09Å
321L98.9Very high98.5Very high0 Ų041.8 Ų41.80%022%0.221CC..EExtended strand (participates in β ladder)trans-99131.3172.2-174.6147.3000111.2A297 V298 V299 F323 V341 I343 M444A297-L321 PolarHBondContact O-N 3.29Å; V298-L321 HydrophobicContact CG1-CD2 3.96Å; V298-L321 HydrophobicContact CG2-CB 4.44Å; V299-L321 PolarHBondContact N-O 2.88Å; L321-F323 HydrophobicContact CD2-CD1 4.21Å; L321-F323 HydrophobicContact CD2-CD2 4.46Å; L321-F323 HydrophobicContact CD2-CE1 3.46Å; L321-F323 VanDerWaalsContact CD2-CE1 3.46Å; L321-F323 HydrophobicContact CD2-CE2 3.8Å; L321-F323 HydrophobicContact CD2-CZ 3.23Å; L321-V341 VanDerWaalsContact CA-O 3.27Å; L321-V341 WeakPolarHBondContact CA-O 3.36Å; L321-V341 HydrophobicContact CB-CB 4.29Å; L321-V341 HydrophobicContact CD1-CB 4.08Å; L321-V341 HydrophobicContact CD1-CG1 3.77Å; L321-V341 HydrophobicContact CG-CB 4.19Å; L321-V341 HydrophobicContact CG-CG1 4.28Å; L321-I343 HydrophobicContact CD2-CG2 4.01Å; L321-M444 HydrophobicContact CB-CE 4.17Å; L321-M444 HydrophobicContact CB-CG 3.79Å; L321-M444 HydrophobicContact CB-SD 3.77Å; L321-M444 HydrophobicContact CD1-CG 3.72Å; L321-M444 HydrophobicContact CD1-SD 3.67Å; L321-M444 HydrophobicContact CG-CG 4.33Å; L321-M444 HydrophobicContact CG-SD 4.35Å
322R98.9Very high98.5Very high1 Ų145.4 Ų45.40%0.00424%0.237CC..EExtended strand (participates in β ladder)trans-126.6168.3174.5-60.7-171.7-169.8-95.7-6111.9V320 V335 G336 K338 T339 V341 R342 I343V320-R322 HydrophobicContact CG1-CG 4.25Å; R322-V335 VanDerWaalsContact CZ-O 3.24Å; R322-V335 PolarHBondContact NH1-O 3.12Å; R322-V335 PolarHBondContact NH2-O 2.75Å; R322-G336 PolarHBondContact NH2-O 2.84Å; R322-K338 PolarHBondContact NE-O 2.74Å; R322-K338 VanDerWaalsContact NE-O 3.13Å; R322-K338 PolarHBondContact NH2-O 2.89Å; R322-T339 HydrophobicContact CB-CG2 4.27Å; R322-T339 VanDerWaalsContact CD-OG1 3.26Å; R322-T339 WeakPolarHBondContact CD-OG1 3.38Å; R322-T339 HydrophobicContact CG-CG2 4.19Å; R322-T339 PolarHBondContact NE-OG1 3.26Å; R322-V341 PolarHBondContact N-O 2.88Å; R322-R342 WeakPolarHBondContact O-CA 3.45Å; R322-I343 PolarHBondContact O-N 3.3Å
323F98.6Very high98.5Very high8 Ų844.4 Ų44.44%0.03523%0.231CC..EExtended strand (participates in β ladder)trans-118.9138.3-171.4-55.9-85.5000111.7V298 V299 M300 L321 S325 A326 R342 I343 S436V298-F323 HydrophobicContact CG1-CE2 3.82Å; V298-F323 HydrophobicContact CG1-CZ 3.51Å; V299-F323 WeakPolarHBondContact O-CD2 3.49Å; V299-F323 WeakPolarHBondContact O-CE2 3.49Å; M300-F323 HydrophobicContact CE-CE2 3.87Å; M300-F323 HydrophobicContact CE-CZ 3.76Å; M300-F323 HydrophobicContact SD-CD2 4.25Å; M300-F323 HydrophobicContact SD-CE2 3.5Å; M300-F323 VanDerWaalsContact SD-CE2 3.5Å; M300-F323 HydrophobicContact SD-CZ 3.79Å; L321-F323 HydrophobicContact CD2-CD1 4.21Å; L321-F323 HydrophobicContact CD2-CD2 4.46Å; L321-F323 HydrophobicContact CD2-CE1 3.46Å; L321-F323 VanDerWaalsContact CD2-CE1 3.46Å; L321-F323 HydrophobicContact CD2-CE2 3.8Å; L321-F323 HydrophobicContact CD2-CZ 3.23Å; F323-S325 PolarHBondContact O-N 3.43Å; F323-A326 WeakPolarHBondContact O-CB 3.49Å; F323-A326 PolarHBondContact O-N 3.05Å; F323-R342 PolarHBondContact O-NH1 3.34Å; F323-I343 CarbonylContact C-O 3.6Å; F323-I343 WeakPolarHBondContact CA-O 2.95Å; F323-I343 HydrophobicContact CD1-CG2 3.12Å; F323-I343 HydrophobicContact CE1-CG2 3.39Å; F323-I343 HydrophobicContact CG-CG2 4.08Å; F323-S436 WeakPolarHBondContact CE1-O 3.37Å
324N98.1Very high98.5Very high33 Ų3343 Ų4318%0.17622%0.224CC..THydrogen-bonded Turntrans49.9-131.3166.6-62.8-26.9000112.1A326 R342 I343 N345 I348N324-A326 VanDerWaalsContact C-N 3.33Å; N324-A326 PolarHBondContact O-N 2.94Å; N324-R342 WeakPolarHBondContact O-CD 3.08Å; N324-R342 PolarHBondContact O-NH1 3.07Å; N324-I343 PolarHBondContact N-O 3.03Å; N324-N345 PolarHBondContact OD1-N 3.36Å; N324-I348 HydrophobicContact CB-CD1 3.89Å; N324-I348 HydrophobicContact CB-CG1 3.84Å
325S96.9Very high98.5Very high25 Ų2543 Ų4318%0.17522%0.224CC..THydrogen-bonded Turntrans-86.911179.3500000114.5F323 P327 L361F323-S325 PolarHBondContact O-N 3.43Å; S325-P327 WeakPolarHBondContact O-CD 3.02Å; S325-P327 VanDerWaalsContact O-N 3.12Å; S325-L361 WeakPolarHBondContact O-CD1 3.5Å
326A98Very high98.5Very high2 Ų240.8 Ų40.82%0.01721%0.212CC..  trans-62.6114.2-175.500000111.3F323 N324 R342 Y468F323-A326 WeakPolarHBondContact O-CB 3.49Å; F323-A326 PolarHBondContact O-N 3.05Å; N324-A326 VanDerWaalsContact C-N 3.33Å; N324-A326 PolarHBondContact O-N 2.94Å; A326-R342 PolarHBondContact O-NH1 3.22Å; A326-R342 PolarHBondContact O-NH2 2.93Å; A326-Y468 HydrophobicContact CB-CE1 4.26Å; A326-Y468 WeakPolarHBondContact CB-OH 3.36Å
327P97.9Very high98.4Very high27 Ų2741.5 Ų41.518%0.17521%0.21CC..  trans-87159-173.735.4-34.6000111.9S325 Y331 L361 Y468 H469S325-P327 WeakPolarHBondContact O-CD 3.02Å; S325-P327 VanDerWaalsContact O-N 3.12Å; P327-Y331 HydrophobicContact CG-CD2 4.22Å; P327-Y331 HydrophobicContact CG-CE2 4.14Å; P327-L361 HydrophobicContact CB-CD2 4.29Å; P327-Y468 HydrophobicContact CG-CE2 4.3Å; P327-Y468 VanDerWaalsContact O-CE2 3.3Å; P327-Y468 WeakPolarHBondContact O-CE2 3.36Å; P327-Y468 PolarHBondContact O-OH 3.31Å; P327-H469 HydrophobicContact CG-CB 3.68Å
328T98.4Very high98.4Very high18 Ų1845 Ų4511%0.1123%0.225CC..  trans-97.9-36168.451.50000112.1G330 Y331 E332 G336 N337T328-G330 PolarHBondContact O-N 3.46Å; T328-Y331 CarbonylContact O-C 3.54Å; T328-Y331 WeakPolarHBondContact O-CA 3.29Å; T328-Y331 PolarHBondContact O-N 3.16Å; T328-E332 PolarHBondContact O-N 3.39Å; T328-G336 WeakPolarHBondContact CB-O 3.42Å; T328-G336 WeakPolarHBondContact CG2-O 3.48Å; T328-N337 PolarHBondContact OG1-OD1 3.26Å
329R98.1Very high98.4Very high218 Ų21843.9 Ų43.982%0.82322%0.22SC*.THydrogen-bonded Turntrans-58.1124-175.9-170.5-179.9178.8-148.6-0.3111.7Y331 E332R329-Y331 VanDerWaalsContact C-N 3.3Å; R329-Y331 WeakPolarHBondContact O-CD2 3.3Å; R329-E332 VanDerWaalsContact CA-OE1 3.27Å; R329-E332 WeakPolarHBondContact CA-OE1 3.49Å
330G98.1Very high98.4Very high62 Ų6245.6 Ų45.664%0.63923%0.231SC*.THydrogen-bonded Turntrans85-2.6-177.700000114.6T328 E332T328-G330 PolarHBondContact O-N 3.46Å; G330-E332 VanDerWaalsContact CA-OE2 3.3Å; G330-E332 WeakPolarHBondContact CA-OE2 3.26Å; G330-E332 VanDerWaalsContact N-CD 3.32Å; G330-E332 PolarHBondContact N-OE1 2.79Å; G330-E332 PolarHBondContact N-OE2 3.25Å
331Y98.6Very high98.4Very high67 Ų6745.6 Ų45.626%0.26323%0.231SC..  trans-126.97.4-178.9-60.7-80.6000112.6L306 P327 T328 R329 K333 D334 V335 Y468 H469L306-Y331 HydrophobicContact CD2-CD1 3.68Å; L306-Y331 HydrophobicContact CD2-CE1 3.82Å; P327-Y331 HydrophobicContact CG-CD2 4.22Å; P327-Y331 HydrophobicContact CG-CE2 4.14Å; T328-Y331 CarbonylContact O-C 3.54Å; T328-Y331 WeakPolarHBondContact O-CA 3.29Å; T328-Y331 PolarHBondContact O-N 3.16Å; R329-Y331 VanDerWaalsContact C-N 3.3Å; R329-Y331 WeakPolarHBondContact O-CD2 3.3Å; Y331-K333 PolarHBondContact O-N 2.92Å; Y331-K333 VanDerWaalsContact O-N 3.08Å; Y331-D334 PolarHBondContact O-N 3.07Å; Y331-V335 WeakPolarHBondContact O-CG2 3.27Å; Y331-V335 PolarHBondContact O-N 3.12Å; Y331-Y468 AromaticContact CD1-CD2 3.73Å; Y331-Y468 HydrophobicContact CD1-CD2 3.73Å; Y331-Y468 HydrophobicContact CD1-CE2 4.3Å; Y331-Y468 HydrophobicContact CD2-CD2 4.05Å; Y331-Y468 AromaticContact CD2-CE2 3.88Å; Y331-Y468 HydrophobicContact CD2-CE2 3.88Å; Y331-Y468 AromaticContact CE1-CD2 3.97Å; Y331-Y468 HydrophobicContact CE1-CD2 3.97Å; Y331-Y468 WeakPolarHBondContact CE1-O 3.41Å; Y331-Y468 HydrophobicContact CE2-CD2 4.28Å; Y331-Y468 HydrophobicContact CE2-CE2 4.35Å; Y331-Y468 AromaticContact CG-CD2 3.77Å; Y331-Y468 HydrophobicContact CG-CD2 3.77Å; Y331-Y468 AromaticContact CG-CE2 3.85Å; Y331-Y468 HydrophobicContact CG-CE2 3.85Å; Y331-Y468 PolarHBondContact OH-O 3.13Å; Y331-H469 HydrophobicContact CE2-CB 4.02Å; Y331-H469 WeakPolarHBondContact OH-CA 3.48Å
332E98.7Very high98.4Very high78 Ų7845.7 Ų45.736%0.36423%0.231SC..Hα-helixtrans-56-36-167.6-62.486.7163.400112.4G311 T328 R329 G330 D334 G336 N337G311-E332 WeakPolarHBondContact CA-O 3.42Å; T328-E332 PolarHBondContact O-N 3.39Å; R329-E332 VanDerWaalsContact CA-OE1 3.27Å; R329-E332 WeakPolarHBondContact CA-OE1 3.49Å; G330-E332 VanDerWaalsContact CA-OE2 3.3Å; G330-E332 WeakPolarHBondContact CA-OE2 3.26Å; G330-E332 VanDerWaalsContact N-CD 3.32Å; G330-E332 PolarHBondContact N-OE1 2.79Å; G330-E332 PolarHBondContact N-OE2 3.25Å; E332-D334 VanDerWaalsContact C-N 3.26Å; E332-D334 PolarHBondContact O-N 3.09Å; E332-G336 WeakPolarHBondContact O-CA 3.25Å; E332-G336 PolarHBondContact O-N 2.62Å; E332-N337 HydrophobicContact CG-CB 4.28Å
333K98.8Very high98.4Very high155 Ų15545.7 Ų45.767%0.67423%0.231SC*.Hα-helixtrans-58.8-37.4176.7-176.7176.4178.3-177.40112.6S309 L310 G311 Y331S309-K333 CarbonylContact C-O 3.26Å; S309-K333 VanDerWaalsContact C-O 3.26Å; S309-K333 VanDerWaalsContact CA-O 3.25Å; S309-K333 WeakPolarHBondContact CA-O 3.3Å; S309-K333 VanDerWaalsContact OG-CE 3.27Å; S309-K333 WeakPolarHBondContact OG-CE 3.38Å; L310-K333 PolarHBondContact N-O 3.33Å; G311-K333 WeakPolarHBondContact CA-O 3.09Å; G311-K333 PolarHBondContact N-O 3.3Å; Y331-K333 PolarHBondContact O-N 2.92Å; Y331-K333 VanDerWaalsContact O-N 3.08Å
334D98.8Very high98.4Very high15 Ų1545.3 Ų45.38%0.0823%0.229CC..Hα-helixtrans-97.4-37.8-174.5-70.9-34.7000112.4I305 L306 N307 S308 S309 G311 Y331 E332I305-D334 WeakPolarHBondContact O-CB 3.27Å; L306-D334 WeakPolarHBondContact CA-OD2 3.25Å; N307-D334 WeakPolarHBondContact CA-OD1 3.4Å; N307-D334 PolarHBondContact N-OD1 2.72Å; N307-D334 PolarHBondContact N-OD2 2.97Å; S308-D334 PolarHBondContact N-OD1 3.03Å; S309-D334 PolarHBondContact N-OD1 3.21Å; G311-D334 PolarHBondContact N-O 3.47Å; Y331-D334 PolarHBondContact O-N 3.07Å; E332-D334 VanDerWaalsContact C-N 3.26Å; E332-D334 PolarHBondContact O-N 3.09Å
335V98.8Very high98.3Very high0 Ų045 Ų450%023%0.228CC..Hα-helixtrans-113.3-5.2-171.2-47.90000113.7V299 I305 R322 Y331 Y468V299-V335 HydrophobicContact CG1-CB 4.37Å; I305-V335 HydrophobicContact CD1-CG1 3.96Å; I305-V335 HydrophobicContact CG1-CG1 4.18Å; I305-V335 HydrophobicContact CG2-CG1 3.74Å; R322-V335 VanDerWaalsContact CZ-O 3.24Å; R322-V335 PolarHBondContact NH1-O 3.12Å; R322-V335 PolarHBondContact NH2-O 2.75Å; Y331-V335 WeakPolarHBondContact O-CG2 3.27Å; Y331-V335 PolarHBondContact O-N 3.12Å; V335-Y468 HydrophobicContact CG1-CD1 4.29Å; V335-Y468 HydrophobicContact CG1-CD2 4.44Å; V335-Y468 HydrophobicContact CG1-CE1 4.1Å; V335-Y468 HydrophobicContact CG1-CE2 4.26Å; V335-Y468 HydrophobicContact CG1-CG 4.47Å
336G98.7Very high98.4Very high0 Ų043.9 Ų43.90%022%0.22CC..  trans74.1175.7-17500000112.7G311 D315 R322 T328 E332G311-G336 VanDerWaalsContact CA-N 3.26Å; D315-G336 WeakPolarHBondContact OD2-CA 3.5Å; R322-G336 PolarHBondContact NH2-O 2.84Å; T328-G336 WeakPolarHBondContact CB-O 3.42Å; T328-G336 WeakPolarHBondContact CG2-O 3.48Å; E332-G336 WeakPolarHBondContact O-CA 3.25Å; E332-G336 PolarHBondContact O-N 2.62Å
337N98.3Very high98.3Very high100 Ų10047.7 Ų47.754%0.53524%0.237SC..SBendtrans-108.9-20.9179.5-16530.9000113.4D315 T328 E332D315-N337 PolarHBondContact OD1-N 3.36Å; D315-N337 VanDerWaalsContact OD1-N 3.08Å; D315-N337 PolarHBondContact OD2-N 2.81Å; T328-N337 PolarHBondContact OG1-OD1 3.26Å; E332-N337 HydrophobicContact CG-CB 4.28Å
338K98.6Very high98.2Very high79 Ų7946.6 Ų46.634%0.34323%0.23SC..  trans-71.8137.2-177.3-172.9-178.3-72.6169.10111.2D315 H317 V320 R322D315-K338 PolarHBondContact O-NZ 2.52Å; D315-K338 WeakPolarHBondContact OD1-CB 3.2Å; D315-K338 PolarHBondContact OD1-N 3.39Å; H317-K338 PolarHBondContact O-NZ 3.17Å; V320-K338 HydrophobicContact CB-CG 4.39Å; V320-K338 WeakPolarHBondContact CB-O 3.2Å; V320-K338 WeakPolarHBondContact CG1-O 3.18Å; V320-K338 HydrophobicContact CG2-CB 3.95Å; V320-K338 HydrophobicContact CG2-CD 3.85Å; V320-K338 HydrophobicContact CG2-CG 3.96Å; R322-K338 PolarHBondContact NE-O 2.74Å; R322-K338 VanDerWaalsContact NE-O 3.13Å; R322-K338 PolarHBondContact NH2-O 2.89Å
339T98.7Very high98Very high33 Ų3346.4 Ų46.420%0.20223%0.228CC..  trans-139125.6166.5-53.70000108.1R322 V365R322-T339 HydrophobicContact CB-CG2 4.27Å; R322-T339 VanDerWaalsContact CD-OG1 3.26Å; R322-T339 WeakPolarHBondContact CD-OG1 3.38Å; R322-T339 HydrophobicContact CG-CG2 4.19Å; R322-T339 PolarHBondContact NE-OG1 3.26Å; T339-V365 HydrophobicContact CG2-CG1 4Å
340T98.6Very high97.6Very high37 Ų3738.4 Ų38.423%0.22720%0.203CC..SBendtrans-113.3-43.1179.5-47.60000110.7A319 V320 I366A319-T340 WeakPolarHBondContact CA-OG1 3.5Å; A319-T340 HydrophobicContact CB-CG2 3.83Å; V320-T340 PolarHBondContact N-OG1 3.14Å; V320-T340 VanDerWaalsContact N-OG1 3.16Å; V320-T340 PolarHBondContact O-N 3.48Å; T340-I366 PolarHBondContact O-N 2.9Å
341V98.8Very high97.4Very high0 Ų038.8 Ų38.80%019%0.191CC..EExtended strand (participates in β ladder)trans-123.6135.6178.5-173.80000108.5V320 L321 R322 I366 V368 M444 M447V320-V341 PolarHBondContact O-N 3.05Å; V320-V341 VanDerWaalsContact O-N 3.09Å; L321-V341 VanDerWaalsContact CA-O 3.27Å; L321-V341 WeakPolarHBondContact CA-O 3.36Å; L321-V341 HydrophobicContact CB-CB 4.29Å; L321-V341 HydrophobicContact CD1-CB 4.08Å; L321-V341 HydrophobicContact CD1-CG1 3.77Å; L321-V341 HydrophobicContact CG-CB 4.19Å; L321-V341 HydrophobicContact CG-CG1 4.28Å; R322-V341 PolarHBondContact N-O 2.88Å; V341-I366 CarbonylContact C-O 3.54Å; V341-I366 WeakPolarHBondContact CA-O 3.37Å; V341-I366 HydrophobicContact CG1-CG2 4.4Å; V341-I366 HydrophobicContact CG2-CB 4.25Å; V341-I366 HydrophobicContact CG2-CD1 4.2Å; V341-V368 HydrophobicContact CG1-CG2 4.06Å; V341-M444 HydrophobicContact CG2-SD 4.23Å; V341-M447 HydrophobicContact CG2-CE 4.24Å
342R98.8Very high97Very high2 Ų240.7 Ų40.71%0.00821%0.212CC..EExtended strand (participates in β ladder)trans-126.3115.1172-175174.6-72.2-78.8-1.4109.7R322 F323 N324 A326 I344 L361 V365 I366 L367 V368R322-R342 WeakPolarHBondContact O-CA 3.45Å; F323-R342 PolarHBondContact O-NH1 3.34Å; N324-R342 WeakPolarHBondContact O-CD 3.08Å; N324-R342 PolarHBondContact O-NH1 3.07Å; A326-R342 PolarHBondContact O-NH1 3.22Å; A326-R342 PolarHBondContact O-NH2 2.93Å; R342-I344 HydrophobicContact CG-CG2 3.96Å; R342-L361 WeakPolarHBondContact CD-O 3.27Å; R342-L361 PolarHBondContact NE-O 2.9Å; R342-V365 HydrophobicContact CB-CG2 4.23Å; R342-I366 PolarHBondContact N-O 2.55Å; R342-L367 HydrophobicContact CB-CD2 4.14Å; R342-L367 WeakPolarHBondContact O-CA 3.49Å; R342-V368 PolarHBondContact O-N 2.76Å
343I98.6Very high96.7Very high0 Ų040.5 Ų40.50%022%0.219CC..EExtended strand (participates in β ladder)trans-88.1131.8171.4-174.1171000109L321 R322 F323 N324 V368 L409 I439 I443L321-I343 HydrophobicContact CD2-CG2 4.01Å; R322-I343 PolarHBondContact O-N 3.3Å; F323-I343 CarbonylContact C-O 3.6Å; F323-I343 WeakPolarHBondContact CA-O 2.95Å; F323-I343 HydrophobicContact CD1-CG2 3.12Å; F323-I343 HydrophobicContact CE1-CG2 3.39Å; F323-I343 HydrophobicContact CG-CG2 4.08Å; N324-I343 PolarHBondContact N-O 3.03Å; I343-V368 CarbonylContact C-O 3.58Å; I343-V368 VanDerWaalsContact CA-O 3.25Å; I343-V368 WeakPolarHBondContact CA-O 3.49Å; I343-V368 HydrophobicContact CB-CB 4.46Å; I343-V368 HydrophobicContact CG1-CB 4.44Å; I343-V368 HydrophobicContact CG1-CG1 4.49Å; I343-V368 WeakPolarHBondContact CG1-O 3.45Å; I343-L409 HydrophobicContact CD1-CD1 4.24Å; I343-I439 HydrophobicContact CD1-CB 4.05Å; I343-I439 HydrophobicContact CD1-CG2 3.51Å; I343-I443 HydrophobicContact CD1-CD1 4.16Å
344I98Very high96.4Very high0 Ų035.4 Ų35.40%020%0.197CC..EExtended strand (participates in β ladder)trans-126.6134.1-178.360.7-177.2000109.1R342 I348 L349 F356 Y362 V368 A369 W370 F406R342-I344 HydrophobicContact CG-CG2 3.96Å; I344-I348 HydrophobicContact CB-CB 4.22Å; I344-I348 HydrophobicContact CB-CG1 4.44Å; I344-I348 HydrophobicContact CB-CG2 4.31Å; I344-I348 HydrophobicContact CG2-CG2 4.27Å; I344-L349 HydrophobicContact CD1-CD1 3.78Å; I344-L349 HydrophobicContact CD1-CD2 4.3Å; I344-L349 HydrophobicContact CD1-CG 3.98Å; I344-L349 HydrophobicContact CG1-CD1 4.02Å; I344-F356 HydrophobicContact CD1-CD2 4.21Å; I344-F356 HydrophobicContact CD1-CE2 3.55Å; I344-F356 HydrophobicContact CD1-CZ 4.21Å; I344-Y362 HydrophobicContact CG2-CD1 4.2Å; I344-Y362 HydrophobicContact CG2-CE1 3.92Å; I344-V368 PolarHBondContact N-O 2.85Å; I344-A369 HydrophobicContact CD1-CB 4.42Å; I344-A369 HydrophobicContact CG1-CB 4.01Å; I344-A369 CarbonylContact O-C 3.56Å; I344-A369 VanDerWaalsContact O-CA 3.29Å; I344-A369 WeakPolarHBondContact O-CA 3.37Å; I344-W370 VanDerWaalsContact O-CD1 3.3Å; I344-W370 PolarHBondContact O-N 3.01Å; I344-F406 HydrophobicContact CD1-CE2 4.08Å; I344-F406 HydrophobicContact CD1-CZ 3.97Å
345N97.3Very high96.1Very high27 Ų2740.3 Ų40.314%0.14422%0.22CC..EExtended strand (participates in β ladder)trans-74.3164.9166.27124.9000109.9N324 Q347 I348 W370N324-N345 PolarHBondContact OD1-N 3.36Å; N345-Q347 PolarHBondContact O-N 3.13Å; N345-Q347 VanDerWaalsContact OD1-CB 3.31Å; N345-Q347 WeakPolarHBondContact OD1-CB 3.34Å; N345-Q347 PolarHBondContact OD1-N 3.42Å; N345-Q347 VanDerWaalsContact OD1-N 3.11Å; N345-I348 PolarHBondContact O-N 2.91Å; N345-I348 WeakPolarHBondContact OD1-CG1 2.98Å; N345-I348 PolarHBondContact OD1-N 3.38Å; N345-I348 VanDerWaalsContact OD1-N 3.12Å; N345-W370 CarbonylContact C-O 3.47Å; N345-W370 WeakPolarHBondContact CA-O 3.3Å; N345-W370 HydrophobicContact CB-CZ2 4.3Å
346S97.4Very high95.9Very high1 Ų140.9 Ų40.91%0.00722%0.222CC..Hα-helixtrans-62.6-24.618052.10000114I348 L349 T350 W370 D371S346-I348 VanDerWaalsContact C-N 3.32Å; S346-I348 PolarHBondContact O-N 2.95Å; S346-L349 WeakPolarHBondContact O-CB 3.49Å; S346-L349 PolarHBondContact O-N 3.34Å; S346-T350 PolarHBondContact O-N 2.99Å; S346-T350 PolarHBondContact O-OG1 2.78Å; S346-W370 PolarHBondContact N-O 2.83Å; S346-D371 WeakPolarHBondContact CB-OD1 3.39Å; S346-D371 PolarHBondContact OG-OD1 2.81Å
347Q95.9Very high95.4Very high82 Ų8243.2 Ų43.238%0.38323%0.234SC..Hα-helixtrans-64.6-36176.5-60176.914.800112.4N345 L349 T350 N351 Y388N345-Q347 PolarHBondContact O-N 3.13Å; N345-Q347 VanDerWaalsContact OD1-CB 3.31Å; N345-Q347 WeakPolarHBondContact OD1-CB 3.34Å; N345-Q347 PolarHBondContact OD1-N 3.42Å; N345-Q347 VanDerWaalsContact OD1-N 3.11Å; Q347-L349 PolarHBondContact O-N 3.12Å; Q347-T350 PolarHBondContact O-N 3.47Å; Q347-T350 PolarHBondContact O-OG1 3.5Å; Q347-N351 VanDerWaalsContact O-CB 3.32Å; Q347-N351 WeakPolarHBondContact O-CB 3.31Å; Q347-N351 PolarHBondContact O-N 3.46Å; Q347-Y388 HydrophobicContact CG-CD1 3.99Å; Q347-Y388 HydrophobicContact CG-CD2 3.46Å; Q347-Y388 VanDerWaalsContact CG-CD2 3.46Å; Q347-Y388 HydrophobicContact CG-CE1 3.83Å; Q347-Y388 HydrophobicContact CG-CE2 3.31Å; Q347-Y388 HydrophobicContact CG-CG 3.82Å; Q347-Y388 VanDerWaalsContact CG-CZ 3.49Å; Q347-Y388 VanDerWaalsContact NE2-CE2 3.29Å; Q347-Y388 PolarHBondContact NE2-OH 3.04Å
348I96.3Very high95Very high5 Ų543.8 Ų43.83%0.02624%0.237CC..Hα-helixtrans-60-35.1175.8-62.8-51000111.6N324 I344 N345 S346 H354 F356 Y362N324-I348 HydrophobicContact CB-CD1 3.89Å; N324-I348 HydrophobicContact CB-CG1 3.84Å; I344-I348 HydrophobicContact CB-CB 4.22Å; I344-I348 HydrophobicContact CB-CG1 4.44Å; I344-I348 HydrophobicContact CB-CG2 4.31Å; I344-I348 HydrophobicContact CG2-CG2 4.27Å; N345-I348 PolarHBondContact O-N 2.91Å; N345-I348 WeakPolarHBondContact OD1-CG1 2.98Å; N345-I348 PolarHBondContact OD1-N 3.38Å; N345-I348 VanDerWaalsContact OD1-N 3.12Å; S346-I348 VanDerWaalsContact C-N 3.32Å; S346-I348 PolarHBondContact O-N 2.95Å; I348-H354 VanDerWaalsContact CD1-CD2 3.45Å; I348-H354 WeakPolarHBondContact CD1-CD2 3.31Å; I348-H354 WeakPolarHBondContact CD1-NE2 3.49Å; I348-H354 HydrophobicContact CG2-CB 4.29Å; I348-F356 HydrophobicContact CG2-CD2 4.4Å; I348-Y362 HydrophobicContact CG2-CE1 3.82Å; I348-Y362 VanDerWaalsContact CG2-OH 3.26Å; I348-Y362 WeakPolarHBondContact CG2-OH 3.4Å
349L93.8Very high94.9Very high14 Ų1441.4 Ų41.47%0.07323%0.23CC..Hα-helixtrans-77.1-29.2-179.2-73.7127.2000113I344 S346 Q347 F356 A369 L390 P393 F406I344-L349 HydrophobicContact CD1-CD1 3.78Å; I344-L349 HydrophobicContact CD1-CD2 4.3Å; I344-L349 HydrophobicContact CD1-CG 3.98Å; I344-L349 HydrophobicContact CG1-CD1 4.02Å; S346-L349 WeakPolarHBondContact O-CB 3.49Å; S346-L349 PolarHBondContact O-N 3.34Å; Q347-L349 PolarHBondContact O-N 3.12Å; L349-F356 HydrophobicContact CD2-CD1 3.93Å; L349-F356 HydrophobicContact CD2-CE1 3.53Å; L349-F356 HydrophobicContact CD2-CE2 4.21Å; L349-F356 HydrophobicContact CD2-CG 4.44Å; L349-F356 HydrophobicContact CD2-CZ 3.69Å; L349-F356 HydrophobicContact CG-CE1 4.47Å; L349-A369 HydrophobicContact CD1-CB 3.85Å; L349-L390 HydrophobicContact CD1-CB 4.24Å; L349-P393 HydrophobicContact CB-CB 4.33Å; L349-P393 HydrophobicContact CB-CG 3.79Å; L349-P393 HydrophobicContact CD2-CB 4.1Å; L349-P393 HydrophobicContact CD2-CG 4.09Å; L349-F406 HydrophobicContact CD2-CE1 4.22Å; L349-F406 HydrophobicContact CD2-CZ 3.81Å
350T90.7Very high94.7Very high49 Ų4944.6 Ų44.630%0.30125%0.254SS..Hα-helixtrans-98.6-30.4-173.7540000114.2S346 Q347 P352 Y388 N389S346-T350 PolarHBondContact O-N 2.99Å; S346-T350 PolarHBondContact O-OG1 2.78Å; Q347-T350 PolarHBondContact O-N 3.47Å; Q347-T350 PolarHBondContact O-OG1 3.5Å; T350-P352 VanDerWaalsContact O-CD 3.31Å; T350-P352 WeakPolarHBondContact O-CD 3.38Å; T350-Y388 WeakPolarHBondContact OG1-CD1 3.46Å; T350-N389 VanDerWaalsContact CG2-C 3.5Å; T350-N389 HydrophobicContact CG2-CB 4.24Å; T350-N389 WeakPolarHBondContact CG2-O 3.43Å
351N93Very high94.5Very high71 Ų7144.8 Ų44.838%0.3825%0.253SS..  trans-83116.2-176.9-179.6-14.3000110Q347 S353 H354Q347-N351 VanDerWaalsContact O-CB 3.32Å; Q347-N351 WeakPolarHBondContact O-CB 3.31Å; Q347-N351 PolarHBondContact O-N 3.46Å; N351-S353 PolarHBondContact ND2-OG 2.81Å; N351-S353 PolarHBondContact O-N 2.84Å; N351-S353 VanDerWaalsContact O-N 3.13Å; N351-S353 WeakPolarHBondContact OD1-CB 3.2Å; N351-S353 PolarHBondContact OD1-N 2.91Å; N351-S353 PolarHBondContact OD1-OG 2.69Å; N351-H354 PolarHBondContact O-N 3.03Å
352P91.1Very high94.4Very high107 Ų10744.9 Ų44.970%0.69525%0.254SS*.G310 helixtrans-59.1-27.5-176.8-24.635.1000114.3T350 H354 H355T350-P352 VanDerWaalsContact O-CD 3.31Å; T350-P352 WeakPolarHBondContact O-CD 3.38Å; P352-H354 PolarHBondContact O-N 2.96Å; P352-H354 VanDerWaalsContact O-N 3.13Å; P352-H355 PolarHBondContact O-N 2.82Å
353S92.3Very high94.3Very high74 Ų7449 Ų4952%0.51727%0.271SS..G310 helixtrans-62.4-19.4-18064.60000113.9N351 H355N351-S353 PolarHBondContact ND2-OG 2.81Å; N351-S353 PolarHBondContact O-N 2.84Å; N351-S353 VanDerWaalsContact O-N 3.13Å; N351-S353 WeakPolarHBondContact OD1-CB 3.2Å; N351-S353 PolarHBondContact OD1-N 2.91Å; N351-S353 PolarHBondContact OD1-OG 2.69Å; S353-H355 VanDerWaalsContact C-N 3.32Å; S353-H355 PolarHBondContact O-CD2 2.77Å; S353-H355 VanDerWaalsContact O-CD2 3.24Å
354H92.4Very high94Very high48 Ų4856.6 Ų56.622%0.22231%0.312CS..G310 helixtrans-84.6-8175.9-65.4-52000113.6I348 N351 P352 F356I348-H354 VanDerWaalsContact CD1-CD2 3.45Å; I348-H354 WeakPolarHBondContact CD1-CD2 3.31Å; I348-H354 WeakPolarHBondContact CD1-NE2 3.49Å; I348-H354 HydrophobicContact CG2-CB 4.29Å; N351-H354 PolarHBondContact O-N 3.03Å; P352-H354 PolarHBondContact O-N 2.96Å; P352-H354 VanDerWaalsContact O-N 3.13Å; H354-F356 PolarHBondContact O-N 3.42Å; H354-F356 VanDerWaalsContact O-N 3.12Å
355H92.8Very high94Very high118 Ų11857.4 Ų57.455%0.54632%0.317SS..  trans46.644.1178.4-59.5-75.8000112.8P352 S353 I357 D358 S359P352-H355 PolarHBondContact O-N 2.82Å; S353-H355 VanDerWaalsContact C-N 3.32Å; S353-H355 PolarHBondContact O-CD2 2.77Å; S353-H355 VanDerWaalsContact O-CD2 3.24Å; H355-I357 PolarHBondContact O-N 3.13Å; H355-I357 VanDerWaalsContact O-N 3.14Å; H355-D358 PolarHBondContact O-N 2.97Å; H355-D358 VanDerWaalsContact O-N 3.1Å; H355-S359 WeakPolarHBondContact O-CB 3.35Å; H355-S359 PolarHBondContact O-N 3.39Å
356F94.2Very high94.1Very high11 Ų1157.1 Ų57.15%0.04832%0.315CS..THydrogen-bonded Turntrans-52.1-41-171170.4-106.4000113.6I344 I348 L349 H354 Y362 L367 H397 F406I344-F356 HydrophobicContact CD1-CD2 4.21Å; I344-F356 HydrophobicContact CD1-CE2 3.55Å; I344-F356 HydrophobicContact CD1-CZ 4.21Å; I348-F356 HydrophobicContact CG2-CD2 4.4Å; L349-F356 HydrophobicContact CD2-CD1 3.93Å; L349-F356 HydrophobicContact CD2-CE1 3.53Å; L349-F356 HydrophobicContact CD2-CE2 4.21Å; L349-F356 HydrophobicContact CD2-CG 4.44Å; L349-F356 HydrophobicContact CD2-CZ 3.69Å; L349-F356 HydrophobicContact CG-CE1 4.47Å; H354-F356 PolarHBondContact O-N 3.42Å; H354-F356 VanDerWaalsContact O-N 3.12Å; F356-Y362 HydrophobicContact CB-CD2 4.49Å; F356-Y362 HydrophobicContact CB-CE2 4.42Å; F356-Y362 AromaticContact CD2-CD1 3.99Å; F356-Y362 HydrophobicContact CD2-CD1 3.99Å; F356-Y362 AromaticContact CD2-CD2 3.79Å; F356-Y362 HydrophobicContact CD2-CD2 3.79Å; F356-Y362 HydrophobicContact CD2-CE1 4.35Å; F356-Y362 HydrophobicContact CD2-CE2 4.16Å; F356-Y362 AromaticContact CD2-CG 3.7Å; F356-Y362 HydrophobicContact CD2-CG 3.7Å; F356-Y362 HydrophobicContact CE2-CD1 4.16Å; F356-Y362 HydrophobicContact CE2-CD2 4.48Å; F356-Y362 AromaticContact CE2-CG 3.97Å; F356-Y362 HydrophobicContact CE2-CG 3.97Å; F356-Y362 WeakPolarHBondContact O-CD2 3.44Å; F356-L367 HydrophobicContact CE2-CD1 4.11Å; F356-L367 HydrophobicContact CZ-CD1 4.11Å; F356-H397 HydrophobicContact CE1-CB 4.1Å; F356-H397 AromaticContact CE1-ND1 3.72Å; F356-H397 HydrophobicContact CZ-CB 4.48Å; F356-H397 AromaticContact CZ-ND1 3.78Å; F356-F406 HydrophobicContact CE1-CE1 4.33Å; F356-F406 AromaticContact CZ-CE1 3.73Å; F356-F406 HydrophobicContact CZ-CE1 3.73Å; F356-F406 AromaticContact CZ-CZ 3.98Å; F356-F406 HydrophobicContact CZ-CZ 3.98Å
357I88.4Confident94.1Very high49 Ų4957 Ų5725%0.25132%0.315SS..THydrogen-bonded Turntrans-69.1-39.5-177.7-60.5-61.1000112.2H355 R400H355-I357 PolarHBondContact O-N 3.13Å; H355-I357 VanDerWaalsContact O-N 3.14Å; I357-R400 VanDerWaalsContact CG2-NH1 3.25Å
358D90.4Very high94.3Very high113 Ų11353.1 Ų53.160%0.60430%0.297SS*.THydrogen-bonded Turntrans-101-29.2-167.1-58.2-47.5000113H355 K363H355-D358 PolarHBondContact O-N 2.97Å; H355-D358 VanDerWaalsContact O-N 3.1Å; D358-K363 WeakPolarHBondContact O-CE 3.21Å; D358-K363 PolarHBondContact O-NZ 3.18Å
359S94.7Very high94.4Very high29 Ų2953 Ų5320%0.20330%0.296CS..  trans-62.3135.1-175.5177.70000112.4H355 L361 Y362H355-S359 WeakPolarHBondContact O-CB 3.35Å; H355-S359 PolarHBondContact O-N 3.39Å; S359-L361 PolarHBondContact O-N 3.36Å; S359-L361 PolarHBondContact OG-N 3.05Å; S359-Y362 PolarHBondContact O-N 3.1Å
360S94.8Very high94.6Very high99 Ų9952.6 Ų52.669%0.69229%0.294SS*.G310 helixtrans-65.6-18175.155.20000113.2Y362 K363S360-Y362 PolarHBondContact O-N 3.35Å; S360-K363 PolarHBondContact O-N 3.02Å
361L96Very high95Very high42 Ų4250.3 Ų50.322%0.2228%0.279CS..G310 helixtrans-61.3-25.4179-67.5177.5000113.5S325 P327 R342 S359S325-L361 WeakPolarHBondContact O-CD1 3.5Å; P327-L361 HydrophobicContact CB-CD2 4.29Å; R342-L361 WeakPolarHBondContact CD-O 3.27Å; R342-L361 PolarHBondContact NE-O 2.9Å; S359-L361 PolarHBondContact O-N 3.36Å; S359-L361 PolarHBondContact OG-N 3.05Å
362Y96.6Very high95.2Very high1 Ų147.5 Ų47.50%0.00427%0.265CS..G310 helixtrans-108.34.9-175.4-48.2-69.1000113I344 I348 F356 S359 S360 L367 Q404I344-Y362 HydrophobicContact CG2-CD1 4.2Å; I344-Y362 HydrophobicContact CG2-CE1 3.92Å; I348-Y362 HydrophobicContact CG2-CE1 3.82Å; I348-Y362 VanDerWaalsContact CG2-OH 3.26Å; I348-Y362 WeakPolarHBondContact CG2-OH 3.4Å; F356-Y362 HydrophobicContact CB-CD2 4.49Å; F356-Y362 HydrophobicContact CB-CE2 4.42Å; F356-Y362 AromaticContact CD2-CD1 3.99Å; F356-Y362 HydrophobicContact CD2-CD1 3.99Å; F356-Y362 AromaticContact CD2-CD2 3.79Å; F356-Y362 HydrophobicContact CD2-CD2 3.79Å; F356-Y362 HydrophobicContact CD2-CE1 4.35Å; F356-Y362 HydrophobicContact CD2-CE2 4.16Å; F356-Y362 AromaticContact CD2-CG 3.7Å; F356-Y362 HydrophobicContact CD2-CG 3.7Å; F356-Y362 HydrophobicContact CE2-CD1 4.16Å; F356-Y362 HydrophobicContact CE2-CD2 4.48Å; F356-Y362 AromaticContact CE2-CG 3.97Å; F356-Y362 HydrophobicContact CE2-CG 3.97Å; F356-Y362 WeakPolarHBondContact O-CD2 3.44Å; S359-Y362 PolarHBondContact O-N 3.1Å; S360-Y362 PolarHBondContact O-N 3.35Å; Y362-L367 HydrophobicContact CD1-CD2 4.31Å; Y362-Q404 PolarHBondContact O-NE2 3.33Å
363K94.8Very high95.5Very high88 Ų8842.5 Ų42.538%0.38323%0.233SC..SBendtrans-97.6150.8179.1-66.5176.1178.21660110.2D358 S360 V365D358-K363 WeakPolarHBondContact O-CE 3.21Å; D358-K363 PolarHBondContact O-NZ 3.18Å; S360-K363 PolarHBondContact O-N 3.02Å; K363-V365 PolarHBondContact O-N 3.35Å
364D94.1Very high95.8Very high161 Ų16140.4 Ų40.486%0.86122%0.218SC*.SBendtrans55.327.4174.4-51.7-45.6000115.7
365V97.4Very high96.1Very high17 Ų1740.5 Ų40.510%0.10322%0.216CC..SBendtrans-131.1158.8176.1-62.40000110.9T339 R342 K363 L367 Q404T339-V365 HydrophobicContact CG2-CG1 4Å; R342-V365 HydrophobicContact CB-CG2 4.23Å; K363-V365 PolarHBondContact O-N 3.35Å; V365-L367 HydrophobicContact CG2-CD2 3.81Å; V365-L367 HydrophobicContact CG2-CG 4.32Å; V365-L367 PolarHBondContact O-N 3.36Å; V365-Q404 WeakPolarHBondContact O-CG 3.46Å; V365-Q404 PolarHBondContact O-NE2 2.74Å
366I98.5Very high96.3Very high20 Ų2039 Ų3910%0.10322%0.219CC..EExtended strand (participates in β ladder)trans-72.9118.1169-62161000108L285 L288 T340 V341 R342 V368 P405 Y407L285-I366 HydrophobicContact CD1-CG2 4.02Å; L288-I366 HydrophobicContact CD1-CD1 3.75Å; L288-I366 HydrophobicContact CD1-CG1 4.3Å; L288-I366 HydrophobicContact CD1-CG2 4.27Å; T340-I366 PolarHBondContact O-N 2.9Å; V341-I366 CarbonylContact C-O 3.54Å; V341-I366 WeakPolarHBondContact CA-O 3.37Å; V341-I366 HydrophobicContact CG1-CG2 4.4Å; V341-I366 HydrophobicContact CG2-CB 4.25Å; V341-I366 HydrophobicContact CG2-CD1 4.2Å; R342-I366 PolarHBondContact N-O 2.55Å; I366-V368 HydrophobicContact CG2-CG2 4.38Å; I366-P405 HydrophobicContact CG1-CB 4.26Å; I366-P405 HydrophobicContact CG1-CG 4.31Å; I366-P405 HydrophobicContact CG2-CB 4.32Å; I366-Y407 HydrophobicContact CG2-CD2 4.18Å; I366-Y407 HydrophobicContact CG2-CE2 4.08Å
367L98.7Very high96.4Very high0 Ų039 Ų390%022%0.221CC..EExtended strand (participates in β ladder)trans-95139.2176.6-66.4176.5000111R342 F356 Y362 V365 P405 F406 Y407R342-L367 HydrophobicContact CB-CD2 4.14Å; R342-L367 WeakPolarHBondContact O-CA 3.49Å; F356-L367 HydrophobicContact CE2-CD1 4.11Å; F356-L367 HydrophobicContact CZ-CD1 4.11Å; Y362-L367 HydrophobicContact CD1-CD2 4.31Å; V365-L367 HydrophobicContact CG2-CD2 3.81Å; V365-L367 HydrophobicContact CG2-CG 4.32Å; V365-L367 PolarHBondContact O-N 3.36Å; L367-P405 PolarHBondContact N-O 3.38Å; L367-F406 HydrophobicContact CB-CB 4.03Å; L367-F406 HydrophobicContact CB-CD2 3.24Å; L367-F406 HydrophobicContact CB-CE2 3.73Å; L367-F406 HydrophobicContact CB-CG 3.71Å; L367-F406 HydrophobicContact CD1-CD1 4.16Å; L367-F406 HydrophobicContact CD1-CD2 4.26Å; L367-F406 HydrophobicContact CD1-CE1 4.38Å; L367-F406 HydrophobicContact CD1-CE2 4.48Å; L367-F406 HydrophobicContact CD1-CG 4.1Å; L367-F406 HydrophobicContact CG-CD2 4.4Å; L367-F406 WeakPolarHBondContact O-CA 3.15Å; L367-Y407 PolarHBondContact O-N 3.42Å
368V98.8Very high96.8Very high0 Ų040.1 Ų40.10%023%0.227CC..EExtended strand (participates in β ladder)trans-132.6105.7174.2-175.40000108.9L285 V341 R342 I343 I344 I366 Y407 L409 I443L285-V368 HydrophobicContact CD1-CG2 4.25Å; L285-V368 HydrophobicContact CD2-CG1 4.31Å; L285-V368 HydrophobicContact CD2-CG2 3.8Å; V341-V368 HydrophobicContact CG1-CG2 4.06Å; R342-V368 PolarHBondContact O-N 2.76Å; I343-V368 CarbonylContact C-O 3.58Å; I343-V368 VanDerWaalsContact CA-O 3.25Å; I343-V368 WeakPolarHBondContact CA-O 3.49Å; I343-V368 HydrophobicContact CB-CB 4.46Å; I343-V368 HydrophobicContact CG1-CB 4.44Å; I343-V368 HydrophobicContact CG1-CG1 4.49Å; I343-V368 WeakPolarHBondContact CG1-O 3.45Å; I344-V368 PolarHBondContact N-O 2.85Å; I366-V368 HydrophobicContact CG2-CG2 4.38Å; V368-Y407 CarbonylContact C-O 3.55Å; V368-L409 HydrophobicContact CG1-CD1 4.18Å; V368-L409 HydrophobicContact CG1-CD2 3.59Å; V368-L409 HydrophobicContact CG1-CG 3.64Å; V368-I443 HydrophobicContact CG1-CD1 4.12Å
369A98.6Very high97.2Very high1 Ų135.3 Ų35.31%0.00820%0.202CC..EExtended strand (participates in β ladder)trans-87.9150.3175.400000111.6I344 L349 F406 Y407 I408 L409I344-A369 HydrophobicContact CD1-CB 4.42Å; I344-A369 HydrophobicContact CG1-CB 4.01Å; I344-A369 CarbonylContact O-C 3.56Å; I344-A369 VanDerWaalsContact O-CA 3.29Å; I344-A369 WeakPolarHBondContact O-CA 3.37Å; L349-A369 HydrophobicContact CD1-CB 3.85Å; A369-F406 HydrophobicContact CB-CE2 3.55Å; A369-F406 HydrophobicContact CB-CZ 3.94Å; A369-Y407 PolarHBondContact N-O 2.87Å; A369-I408 HydrophobicContact CB-CG1 4.11Å; A369-I408 CarbonylContact O-C 3.56Å; A369-I408 WeakPolarHBondContact O-CA 3.3Å; A369-L409 PolarHBondContact O-N 3.06Å
370W98.7Very high97.3Very high6 Ų637.6 Ų37.62%0.02321%0.212CC..EExtended strand (participates in β ladder)trans-148.2151.8170.578.2-84.2000111.7I344 N345 S346 P372 L409 I414 P433 S436 I439 H483I344-W370 VanDerWaalsContact O-CD1 3.3Å; I344-W370 PolarHBondContact O-N 3.01Å; N345-W370 CarbonylContact C-O 3.47Å; N345-W370 WeakPolarHBondContact CA-O 3.3Å; N345-W370 HydrophobicContact CB-CZ2 4.3Å; S346-W370 PolarHBondContact N-O 2.83Å; W370-P372 HydrophobicContact CH2-CG 4.39Å; W370-P372 HydrophobicContact CZ3-CG 3.9Å; W370-L409 HydrophobicContact CB-CB 4Å; W370-L409 HydrophobicContact CB-CD1 3.79Å; W370-L409 HydrophobicContact CB-CG 4.11Å; W370-L409 HydrophobicContact CG-CD1 4.44Å; W370-I414 HydrophobicContact CB-CD1 4.17Å; W370-I414 HydrophobicContact CE3-CD1 3.9Å; W370-P433 HydrophobicContact CH2-CB 4.17Å; W370-P433 HydrophobicContact CZ3-CB 3.8Å; W370-P433 HydrophobicContact CZ3-CG 4.27Å; W370-S436 WeakPolarHBondContact CZ2-OG 3.48Å; W370-S436 PolarHBondContact NE1-OG 3.28Å; W370-I439 HydrophobicContact CD2-CD1 4.07Å; W370-I439 HydrophobicContact CE3-CD1 4.27Å; W370-I439 HydrophobicContact CZ2-CD1 4.39Å; W370-I439 HydrophobicContact CZ3-CD1 4.49Å; W370-H483 AromaticContact CH2-CE1 3.97Å
371D98.4Very high97.5Very high1 Ų137 Ų371%0.00520%0.2CC..  trans-137.5141.8179.5-176.966.8000110S346 A373 W382 P386 D387 Y388 L390S346-D371 WeakPolarHBondContact CB-OD1 3.39Å; S346-D371 PolarHBondContact OG-OD1 2.81Å; D371-A373 PolarHBondContact O-N 3.38Å; D371-A373 VanDerWaalsContact O-N 3.09Å; D371-W382 HydrophobicContact CB-CZ2 3.95Å; D371-W382 PolarHBondContact OD2-NE1 3.01Å; D371-P386 WeakPolarHBondContact OD2-CB 3.13Å; D371-D387 WeakPolarHBondContact OD1-CB 3.42Å; D371-D387 PolarHBondContact OD1-N 3.35Å; D371-D387 PolarHBondContact OD2-N 3.43Å; D371-Y388 PolarHBondContact OD1-N 2.85Å; D371-Y388 VanDerWaalsContact OD1-N 3.11Å; D371-L390 HydrophobicContact CB-CD1 3.84Å; D371-L390 HydrophobicContact CB-CD2 3.86Å; D371-L390 HydrophobicContact CB-CG 4.42Å
372P97.4Very high97.6Very high13 Ų1335 Ų358%0.08419%0.19CC..  trans-61.4106.6170-2536000112.4H234 W370 D387 P433H234-P372 VanDerWaalsContact CE1-CB 3.48Å; H234-P372 WeakPolarHBondContact CE1-CB 3.49Å; W370-P372 HydrophobicContact CH2-CG 4.39Å; W370-P372 HydrophobicContact CZ3-CG 3.9Å; P372-D387 HydrophobicContact CB-CB 4.14Å; P372-D387 HydrophobicContact CG-CB 4.25Å; P372-P433 HydrophobicContact CB-CG 3.93Å; P372-P433 HydrophobicContact CG-CG 4.36Å
373A97.8Very high97.6Very high2 Ų238.3 Ų38.32%0.01720%0.203CC..  trans-97.4160.8172.600000111.5D371 W382 P411 W415D371-A373 PolarHBondContact O-N 3.38Å; D371-A373 VanDerWaalsContact O-N 3.09Å; A373-W382 HydrophobicContact CB-CB 4.11Å; A373-W382 HydrophobicContact CB-CD2 4.09Å; A373-W382 HydrophobicContact CB-CG 3.64Å; A373-P411 HydrophobicContact CB-CB 3.62Å; A373-P411 HydrophobicContact CB-CG 3.51Å; A373-W415 VanDerWaalsContact O-CZ2 3.28Å; A373-W415 WeakPolarHBondContact O-CZ2 3.46Å; A373-W415 PolarHBondContact O-NE1 3.22Å
374P97.8Very high97.7Very high30 Ų3042.5 Ų42.520%0.19522%0.221CC..  trans-54148.9172.6-24.633.9000112.5S376 A377 L381 W415P374-S376 PolarHBondContact O-N 3.39Å; P374-S376 VanDerWaalsContact O-N 3.09Å; P374-A377 WeakPolarHBondContact O-CA 3.46Å; P374-A377 PolarHBondContact O-N 3.45Å; P374-L381 HydrophobicContact CB-CD2 4.38Å; P374-L381 HydrophobicContact CG-CD2 3.82Å; P374-L381 HydrophobicContact CG-CG 4.16Å; P374-W415 PolarHBondContact O-NE1 2.83Å
375Y98.3Very high97.9Very high50 Ų5042.8 Ų42.820%0.19621%0.214CC..THydrogen-bonded Turntrans-57.8-27.2-178.8-179-111.1000113.8H234 V236 A377 W415 W418 D419H234-Y375 WeakPolarHBondContact O-CB 3.21Å; H234-Y375 PolarHBondContact O-N 2.87Å; V236-Y375 HydrophobicContact CB-CD2 4.33Å; V236-Y375 HydrophobicContact CB-CG 4.26Å; V236-Y375 HydrophobicContact CG1-CD2 4Å; V236-Y375 HydrophobicContact CG1-CE2 4.04Å; V236-Y375 HydrophobicContact CG1-CG 4.29Å; V236-Y375 HydrophobicContact CG2-CD2 4.02Å; V236-Y375 HydrophobicContact CG2-CG 4.13Å; Y375-A377 PolarHBondContact O-N 3.16Å; Y375-A377 VanDerWaalsContact O-N 3.15Å; Y375-W415 HydrophobicContact CD2-CB 4.27Å; Y375-W415 AromaticContact CD2-CD2 3.68Å; Y375-W415 HydrophobicContact CD2-CD2 3.68Å; Y375-W415 AromaticContact CD2-CE3 3.58Å; Y375-W415 HydrophobicContact CD2-CE3 3.58Å; Y375-W415 AromaticContact CD2-CG 3.99Å; Y375-W415 HydrophobicContact CD2-CG 3.99Å; Y375-W415 HydrophobicContact CD2-CZ3 4.15Å; Y375-W415 HydrophobicContact CE2-CB 4.43Å; Y375-W415 HydrophobicContact CE2-CD2 4.47Å; Y375-W415 HydrophobicContact CE2-CE3 4.16Å; Y375-W418 HydrophobicContact CE2-CE3 4.26Å; Y375-D419 PolarHBondContact OH-OD1 2.84Å
376S97.1Very high97.9Very high85 Ų8543.4 Ų43.459%0.59422%0.219SC*.THydrogen-bonded Turntrans-65.2-12173.961.10000113.9P374 N378P374-S376 PolarHBondContact O-N 3.39Å; P374-S376 VanDerWaalsContact O-N 3.09Å; S376-N378 PolarHBondContact O-N 3.5Å; S376-N378 VanDerWaalsContact O-N 3.16Å
377A96.9Very high97.8Very high11 Ų1144.6 Ų44.69%0.09123%0.226CC..  trans52.132.4-174.100000113.2P374 Y375 L379 P411 K412P374-A377 WeakPolarHBondContact O-CA 3.46Å; P374-A377 PolarHBondContact O-N 3.45Å; Y375-A377 PolarHBondContact O-N 3.16Å; Y375-A377 VanDerWaalsContact O-N 3.15Å; A377-L379 PolarHBondContact O-N 3.11Å; A377-P411 HydrophobicContact CB-CB 3.89Å; A377-K412 HydrophobicContact CB-CB 4.5Å; A377-K412 HydrophobicContact CB-CG 3.63Å
378N97.6Very high97.7Very high73 Ų7349 Ų4939%0.3924%0.243SC..  trans-72.7107.2177.6-175.8-39.8000110.1S376 N380 L381 W382S376-N378 PolarHBondContact O-N 3.5Å; S376-N378 VanDerWaalsContact O-N 3.16Å; N378-N380 VanDerWaalsContact C-N 3.33Å; N378-N380 PolarHBondContact O-N 3.32Å; N378-N380 WeakPolarHBondContact OD1-CB 3.5Å; N378-N380 PolarHBondContact OD1-N 3.43Å; N378-L381 HydrophobicContact CB-CB 4.11Å; N378-L381 PolarHBondContact O-N 3.15Å; N378-L381 PolarHBondContact OD1-N 3.22Å; N378-W382 WeakPolarHBondContact O-CB 3.35Å; N378-W382 PolarHBondContact O-N 2.82Å
379L98.2Very high97.6Very high13 Ų1352.6 Ų52.67%0.06826%0.262CS..Hα-helixtrans-65.5-31.8-176.4-59.9-176.5000113.4E268 F271 A377 W382 Y383 P411E268-L379 HydrophobicContact CB-CD1 3.79Å; F271-L379 HydrophobicContact CD2-CD1 4.25Å; F271-L379 HydrophobicContact CE2-CB 4.11Å; F271-L379 HydrophobicContact CE2-CD1 4.16Å; F271-L379 HydrophobicContact CE2-CD2 4.33Å; F271-L379 HydrophobicContact CE2-CG 4.43Å; A377-L379 PolarHBondContact O-N 3.11Å; L379-W382 HydrophobicContact CD2-CE3 3.91Å; L379-W382 HydrophobicContact CD2-CZ3 4.19Å; L379-Y383 VanDerWaalsContact O-CB 3.27Å; L379-Y383 WeakPolarHBondContact O-CB 3.36Å; L379-Y383 PolarHBondContact O-N 3.13Å; L379-P411 HydrophobicContact CD2-CG 3.98Å
380N97.7Very high97.5Very high77 Ų7752.6 Ų52.641%0.41226%0.262SS..Hα-helixtrans-68.5-44.7177.4-70.2-66.3000111.3P270 N378 K384P270-N380 WeakPolarHBondContact CB-OD1 3.2Å; P270-N380 WeakPolarHBondContact CD-OD1 3.36Å; N378-N380 VanDerWaalsContact C-N 3.33Å; N378-N380 PolarHBondContact O-N 3.32Å; N378-N380 WeakPolarHBondContact OD1-CB 3.5Å; N378-N380 PolarHBondContact OD1-N 3.43Å; N380-K384 WeakPolarHBondContact O-CG 3.13Å; N380-K384 PolarHBondContact O-N 2.75Å
381L97.4Very high97.4Very high85 Ų8552.6 Ų52.645%0.44526%0.262SS..Hα-helixtrans-65.1-44.9176.8178.458.7000110.6P374 N378 K384 K385P374-L381 HydrophobicContact CB-CD2 4.38Å; P374-L381 HydrophobicContact CG-CD2 3.82Å; P374-L381 HydrophobicContact CG-CG 4.16Å; N378-L381 HydrophobicContact CB-CB 4.11Å; N378-L381 PolarHBondContact O-N 3.15Å; N378-L381 PolarHBondContact OD1-N 3.22Å; L381-K384 PolarHBondContact O-N 3.34Å; L381-K385 PolarHBondContact O-N 3.47Å
382W98.3Very high97.3Very high1 Ų155.7 Ų55.70%0.00428%0.281CS..Hα-helixtrans-63.8-43178.8176.150000112.7L264 F271 D371 A373 N378 L379 K384 K385 P386 L390 F391 I408 P411L264-W382 HydrophobicContact CD1-CH2 4.07Å; L264-W382 HydrophobicContact CD1-CZ3 3.91Å; L264-W382 HydrophobicContact CD2-CZ3 4.15Å; L264-W382 HydrophobicContact CG-CZ3 4.43Å; F271-W382 HydrophobicContact CE2-CE3 4.43Å; F271-W382 HydrophobicContact CE2-CZ3 4.14Å; F271-W382 HydrophobicContact CZ-CE3 4.14Å; F271-W382 AromaticContact CZ-CZ3 3.83Å; F271-W382 HydrophobicContact CZ-CZ3 3.83Å; D371-W382 HydrophobicContact CB-CZ2 3.95Å; D371-W382 PolarHBondContact OD2-NE1 3.01Å; A373-W382 HydrophobicContact CB-CB 4.11Å; A373-W382 HydrophobicContact CB-CD2 4.09Å; A373-W382 HydrophobicContact CB-CG 3.64Å; N378-W382 WeakPolarHBondContact O-CB 3.35Å; N378-W382 PolarHBondContact O-N 2.82Å; L379-W382 HydrophobicContact CD2-CE3 3.91Å; L379-W382 HydrophobicContact CD2-CZ3 4.19Å; W382-K384 VanDerWaalsContact C-N 3.31Å; W382-K384 PolarHBondContact O-N 3.06Å; W382-K385 CarbonylContact O-C 3.25Å; W382-K385 VanDerWaalsContact O-C 3.25Å; W382-K385 PolarHBondContact O-N 3.19Å; W382-P386 WeakPolarHBondContact O-CA 3.5Å; W382-P386 VanDerWaalsContact O-CD 3.32Å; W382-P386 WeakPolarHBondContact O-CD 3.28Å; W382-L390 HydrophobicContact CZ2-CD1 4.18Å; W382-L390 HydrophobicContact CZ2-CD2 4.23Å; W382-F391 AromaticContact CD2-CZ 3.88Å; W382-F391 HydrophobicContact CD2-CZ 3.88Å; W382-F391 AromaticContact CE2-CZ 3.75Å; W382-F391 AromaticContact CE3-CZ 3.93Å; W382-F391 HydrophobicContact CE3-CZ 3.93Å; W382-F391 AromaticContact CH2-CE1 3.9Å; W382-F391 HydrophobicContact CH2-CE1 3.9Å; W382-F391 AromaticContact CH2-CZ 3.85Å; W382-F391 HydrophobicContact CH2-CZ 3.85Å; W382-F391 HydrophobicContact CZ2-CE1 4.12Å; W382-F391 AromaticContact CZ2-CZ 3.75Å; W382-F391 HydrophobicContact CZ2-CZ 3.75Å; W382-F391 HydrophobicContact CZ3-CE1 4.11Å; W382-F391 AromaticContact CZ3-CZ 3.93Å; W382-F391 HydrophobicContact CZ3-CZ 3.93Å; W382-I408 HydrophobicContact CH2-CG2 3.67Å; W382-I408 HydrophobicContact CZ2-CG2 4.33Å; W382-P411 HydrophobicContact CD2-CG 3.89Å; W382-P411 HydrophobicContact CE3-CG 3.64Å; W382-P411 HydrophobicContact CH2-CG 4.21Å; W382-P411 HydrophobicContact CZ2-CG 4.46Å; W382-P411 HydrophobicContact CZ3-CG 3.81Å
383Y97.9Very high97.2Very high71 Ų7155.8 Ų55.828%0.27828%0.282SS..Hα-helixtrans-61.2-39.9176.1-176.2-101.1000112.6P270 F271 L274 W276 L379 F391P270-Y383 HydrophobicContact CG-CD1 4.16Å; P270-Y383 HydrophobicContact CG-CG 3.91Å; F271-Y383 HydrophobicContact CD1-CD2 4.37Å; F271-Y383 AromaticContact CE1-CD2 3.59Å; F271-Y383 HydrophobicContact CE1-CD2 3.59Å; F271-Y383 HydrophobicContact CE1-CE2 4.14Å; F271-Y383 HydrophobicContact CE1-CG 4.45Å; F271-Y383 HydrophobicContact CZ-CD2 4.15Å; L274-Y383 HydrophobicContact CD1-CD1 4.2Å; L274-Y383 HydrophobicContact CD1-CD2 4.4Å; L274-Y383 HydrophobicContact CD1-CE1 3.63Å; L274-Y383 HydrophobicContact CD1-CE2 3.84Å; L274-Y383 VanDerWaalsContact CD1-CZ 3.42Å; W276-Y383 HydrophobicContact CZ2-CE2 4.27Å; L379-Y383 VanDerWaalsContact O-CB 3.27Å; L379-Y383 WeakPolarHBondContact O-CB 3.36Å; L379-Y383 PolarHBondContact O-N 3.13Å; Y383-F391 HydrophobicContact CD2-CD1 4.16Å; Y383-F391 AromaticContact CD2-CD2 3.7Å; Y383-F391 HydrophobicContact CD2-CD2 3.7Å; Y383-F391 HydrophobicContact CD2-CE1 4.17Å; Y383-F391 AromaticContact CD2-CE2 3.77Å; Y383-F391 HydrophobicContact CD2-CE2 3.77Å; Y383-F391 AromaticContact CD2-CG 3.91Å; Y383-F391 HydrophobicContact CD2-CG 3.91Å; Y383-F391 AromaticContact CD2-CZ 3.98Å; Y383-F391 HydrophobicContact CD2-CZ 3.98Å; Y383-F391 HydrophobicContact CE2-CB 4.14Å; Y383-F391 HydrophobicContact CE2-CD1 4.31Å; Y383-F391 AromaticContact CE2-CD2 4Å; Y383-F391 HydrophobicContact CE2-CD2 4Å; Y383-F391 AromaticContact CE2-CG 3.88Å; Y383-F391 HydrophobicContact CE2-CG 3.88Å; Y383-F391 HydrophobicContact CG-CE2 4.4Å
384K97.1Very high97.2Very high176 Ų17655.8 Ų55.877%0.76528%0.282SS*.Hα-helixtrans-73.4-34.8178.7-72.9179.8178.3-174.30113.3N380 L381 W382N380-K384 WeakPolarHBondContact O-CG 3.13Å; N380-K384 PolarHBondContact O-N 2.75Å; L381-K384 PolarHBondContact O-N 3.34Å; W382-K384 VanDerWaalsContact C-N 3.31Å; W382-K384 PolarHBondContact O-N 3.06Å
385K96.9Very high97.1Very high166 Ų16656.5 Ų56.572%0.72228%0.283SS*.SBendtrans-139.872.6-175.8-167.9179-178.7175.60110.3L381 W382L381-K385 PolarHBondContact O-N 3.47Å; W382-K385 CarbonylContact O-C 3.25Å; W382-K385 VanDerWaalsContact O-C 3.25Å; W382-K385 PolarHBondContact O-N 3.19Å
386P97.4Very high97Very high30 Ų3058 Ų5820%0.19529%0.292CS..  trans-71.4164.3171.632.7-35.5000110.2D371 W382 Y388 L390 F391D371-P386 WeakPolarHBondContact OD2-CB 3.13Å; W382-P386 WeakPolarHBondContact O-CA 3.5Å; W382-P386 VanDerWaalsContact O-CD 3.32Å; W382-P386 WeakPolarHBondContact O-CD 3.28Å; P386-Y388 VanDerWaalsContact C-N 3.32Å; P386-Y388 WeakPolarHBondContact CB-O 3.25Å; P386-L390 HydrophobicContact CB-CD2 3.94Å; P386-F391 HydrophobicContact CB-CE2 3.99Å; P386-F391 HydrophobicContact CG-CD2 4.33Å; P386-F391 HydrophobicContact CG-CE2 4.14Å
387D96.6Very high96.9Very high46 Ų4654.2 Ų54.225%0.24627%0.265CS..SBendtrans-67.1-40.7175.1-153.726.2000110.4K233 D371 P372K233-D387 WeakPolarHBondContact CE-OD1 3.37Å; K233-D387 VanDerWaalsContact NZ-CG 3.34Å; K233-D387 IonicContact NZ-OD1 3.99Å; K233-D387 PolarHBondContact NZ-OD1 2.96Å; K233-D387 IonicContact NZ-OD2 2.76Å; K233-D387 PolarHBondContact NZ-OD2 3.42Å; D371-D387 WeakPolarHBondContact OD1-CB 3.42Å; D371-D387 PolarHBondContact OD1-N 3.35Å; D371-D387 PolarHBondContact OD2-N 3.43Å; P372-D387 HydrophobicContact CB-CB 4.14Å; P372-D387 HydrophobicContact CG-CB 4.25Å
388Y97.3Very high96.9Very high91 Ų9154.9 Ų54.936%0.35727%0.265SS..SBendtrans-135.3144.9167.4-64.9-95.5000109.8Q347 T350 D371 P386 L390Q347-Y388 HydrophobicContact CG-CD1 3.99Å; Q347-Y388 HydrophobicContact CG-CD2 3.46Å; Q347-Y388 VanDerWaalsContact CG-CD2 3.46Å; Q347-Y388 HydrophobicContact CG-CE1 3.83Å; Q347-Y388 HydrophobicContact CG-CE2 3.31Å; Q347-Y388 HydrophobicContact CG-CG 3.82Å; Q347-Y388 VanDerWaalsContact CG-CZ 3.49Å; Q347-Y388 VanDerWaalsContact NE2-CE2 3.29Å; Q347-Y388 PolarHBondContact NE2-OH 3.04Å; T350-Y388 WeakPolarHBondContact OG1-CD1 3.46Å; D371-Y388 PolarHBondContact OD1-N 2.85Å; D371-Y388 VanDerWaalsContact OD1-N 3.11Å; P386-Y388 VanDerWaalsContact C-N 3.32Å; P386-Y388 WeakPolarHBondContact CB-O 3.25Å; Y388-L390 VanDerWaalsContact C-N 3.3Å; Y388-L390 WeakPolarHBondContact O-CD2 3.25Å; Y388-L390 PolarHBondContact O-N 3.44Å
389N95.4Very high96.8Very high77 Ų7758 Ų5841%0.41228%0.277SS..  trans-66.781.6-180-178.514000112.9T350 F391 T392 P393T350-N389 VanDerWaalsContact CG2-C 3.5Å; T350-N389 HydrophobicContact CG2-CB 4.24Å; T350-N389 WeakPolarHBondContact CG2-O 3.43Å; N389-F391 PolarHBondContact OD1-N 2.65Å; N389-T392 PolarHBondContact ND2-OG1 3.34Å; N389-T392 PolarHBondContact OD1-N 2.55Å; N389-T392 PolarHBondContact OD1-OG1 2.88Å; N389-P393 WeakPolarHBondContact O-CD 3.28Å; N389-P393 WeakPolarHBondContact O-CG 3.43Å
390L96.4Very high96.6Very high1 Ų165 Ų651%0.00530%0.303CS..  trans-78.7-21.6174.575.2166.7000113.8L349 D371 W382 P386 Y388 P393 Y394 I408L349-L390 HydrophobicContact CD1-CB 4.24Å; D371-L390 HydrophobicContact CB-CD1 3.84Å; D371-L390 HydrophobicContact CB-CD2 3.86Å; D371-L390 HydrophobicContact CB-CG 4.42Å; W382-L390 HydrophobicContact CZ2-CD1 4.18Å; W382-L390 HydrophobicContact CZ2-CD2 4.23Å; P386-L390 HydrophobicContact CB-CD2 3.94Å; Y388-L390 VanDerWaalsContact C-N 3.3Å; Y388-L390 WeakPolarHBondContact O-CD2 3.25Å; Y388-L390 PolarHBondContact O-N 3.44Å; L390-P393 WeakPolarHBondContact O-CG 3.04Å; L390-Y394 WeakPolarHBondContact O-CB 3.26Å; L390-Y394 PolarHBondContact O-N 2.87Å; L390-Y394 VanDerWaalsContact O-N 3.07Å; L390-I408 HydrophobicContact CD1-CD1 4.39Å; L390-I408 HydrophobicContact CD1-CG1 4.36Å; L390-I408 HydrophobicContact CD1-CG2 3.97Å
391F97.6Very high96.5Very high5 Ų564.1 Ų64.12%0.02230%0.298CS..Hα-helixtrans-74.4-44.2-168.1-59.2-61.2000112.5L264 F271 W276 W382 Y383 P386 N389 Y394 I395 I408L264-F391 HydrophobicContact CD1-CE1 4.5Å; F271-F391 HydrophobicContact CE1-CD1 4.2Å; F271-F391 AromaticContact CE1-CE1 3.75Å; F271-F391 HydrophobicContact CE1-CE1 3.75Å; F271-F391 HydrophobicContact CE1-CZ 4.33Å; F271-F391 AromaticContact CZ-CE1 3.78Å; F271-F391 HydrophobicContact CZ-CE1 3.78Å; F271-F391 HydrophobicContact CZ-CZ 4.08Å; W276-F391 HydrophobicContact CH2-CB 4.48Å; W276-F391 AromaticContact CH2-CD1 3.53Å; W276-F391 HydrophobicContact CH2-CD1 3.53Å; W276-F391 HydrophobicContact CH2-CE1 4.21Å; W276-F391 HydrophobicContact CH2-CG 4.41Å; W276-F391 HydrophobicContact CZ2-CB 4.37Å; W276-F391 HydrophobicContact CZ2-CD1 4Å; W276-F391 HydrophobicContact CZ3-CD1 4.44Å; W382-F391 AromaticContact CD2-CZ 3.88Å; W382-F391 HydrophobicContact CD2-CZ 3.88Å; W382-F391 AromaticContact CE2-CZ 3.75Å; W382-F391 AromaticContact CE3-CZ 3.93Å; W382-F391 HydrophobicContact CE3-CZ 3.93Å; W382-F391 AromaticContact CH2-CE1 3.9Å; W382-F391 HydrophobicContact CH2-CE1 3.9Å; W382-F391 AromaticContact CH2-CZ 3.85Å; W382-F391 HydrophobicContact CH2-CZ 3.85Å; W382-F391 HydrophobicContact CZ2-CE1 4.12Å; W382-F391 AromaticContact CZ2-CZ 3.75Å; W382-F391 HydrophobicContact CZ2-CZ 3.75Å; W382-F391 HydrophobicContact CZ3-CE1 4.11Å; W382-F391 AromaticContact CZ3-CZ 3.93Å; W382-F391 HydrophobicContact CZ3-CZ 3.93Å; Y383-F391 HydrophobicContact CD2-CD1 4.16Å; Y383-F391 AromaticContact CD2-CD2 3.7Å; Y383-F391 HydrophobicContact CD2-CD2 3.7Å; Y383-F391 HydrophobicContact CD2-CE1 4.17Å; Y383-F391 AromaticContact CD2-CE2 3.77Å; Y383-F391 HydrophobicContact CD2-CE2 3.77Å; Y383-F391 AromaticContact CD2-CG 3.91Å; Y383-F391 HydrophobicContact CD2-CG 3.91Å; Y383-F391 AromaticContact CD2-CZ 3.98Å; Y383-F391 HydrophobicContact CD2-CZ 3.98Å; Y383-F391 HydrophobicContact CE2-CB 4.14Å; Y383-F391 HydrophobicContact CE2-CD1 4.31Å; Y383-F391 AromaticContact CE2-CD2 4Å; Y383-F391 HydrophobicContact CE2-CD2 4Å; Y383-F391 AromaticContact CE2-CG 3.88Å; Y383-F391 HydrophobicContact CE2-CG 3.88Å; Y383-F391 HydrophobicContact CG-CE2 4.4Å; P386-F391 HydrophobicContact CB-CE2 3.99Å; P386-F391 HydrophobicContact CG-CD2 4.33Å; P386-F391 HydrophobicContact CG-CE2 4.14Å; N389-F391 PolarHBondContact OD1-N 2.65Å; F391-Y394 WeakPolarHBondContact O-CB 3.33Å; F391-Y394 PolarHBondContact O-N 2.83Å; F391-I395 WeakPolarHBondContact O-CD1 3.47Å; F391-I395 VanDerWaalsContact O-CG1 3.24Å; F391-I395 WeakPolarHBondContact O-CG1 3.17Å; F391-I395 PolarHBondContact O-N 3.15Å; F391-I408 HydrophobicContact CD1-CD1 4.33Å
392T95.9Very high96.4Very high66 Ų6663.7 Ų63.741%0.40530%0.301SS..Hα-helixtrans-59.1-55.1176.5-55.10000112.6N389 Y394 I395 Q396N389-T392 PolarHBondContact ND2-OG1 3.34Å; N389-T392 PolarHBondContact OD1-N 2.55Å; N389-T392 PolarHBondContact OD1-OG1 2.88Å; T392-Y394 VanDerWaalsContact C-N 3.28Å; T392-Y394 PolarHBondContact O-N 3.43Å; T392-I395 PolarHBondContact O-N 2.84Å; T392-Q396 WeakPolarHBondContact O-CG 3.13Å; T392-Q396 PolarHBondContact O-N 2.91Å; T392-Q396 VanDerWaalsContact O-N 3.1Å
393P95.8Very high96.2Very high16 Ų1671.1 Ų71.110%0.10434%0.34CS..Hα-helixtrans-65-31.8178.424.8-34.2000112.5L349 N389 L390 Q396 H397L349-P393 HydrophobicContact CB-CB 4.33Å; L349-P393 HydrophobicContact CB-CG 3.79Å; L349-P393 HydrophobicContact CD2-CB 4.1Å; L349-P393 HydrophobicContact CD2-CG 4.09Å; N389-P393 WeakPolarHBondContact O-CD 3.28Å; N389-P393 WeakPolarHBondContact O-CG 3.43Å; L390-P393 WeakPolarHBondContact O-CG 3.04Å; P393-Q396 PolarHBondContact O-N 3.21Å; P393-H397 WeakPolarHBondContact O-CB 3.43Å; P393-H397 PolarHBondContact O-N 2.98Å
394Y97.3Very high96.1Very high2 Ų268.7 Ų68.71%0.00833%0.332CS..Hα-helixtrans-59.7-50.3172.4176.1-95.8000112.4W276 L279 L390 F391 T392 Q396 H397 R398 F406 I408W276-Y394 AromaticContact CH2-CD1 3.81Å; W276-Y394 HydrophobicContact CH2-CD1 3.81Å; W276-Y394 HydrophobicContact CH2-CE1 4.09Å; W276-Y394 HydrophobicContact CZ3-CD1 4.08Å; W276-Y394 AromaticContact CZ3-CE1 3.88Å; W276-Y394 HydrophobicContact CZ3-CE1 3.88Å; L279-Y394 HydrophobicContact CD2-CD1 3.98Å; L279-Y394 HydrophobicContact CD2-CE1 3.74Å; L279-Y394 HydrophobicContact CG-CE1 4.03Å; L390-Y394 WeakPolarHBondContact O-CB 3.26Å; L390-Y394 PolarHBondContact O-N 2.87Å; L390-Y394 VanDerWaalsContact O-N 3.07Å; F391-Y394 WeakPolarHBondContact O-CB 3.33Å; F391-Y394 PolarHBondContact O-N 2.83Å; T392-Y394 VanDerWaalsContact C-N 3.28Å; T392-Y394 PolarHBondContact O-N 3.43Å; Y394-Q396 VanDerWaalsContact C-N 3.35Å; Y394-Q396 PolarHBondContact O-N 3.24Å; Y394-H397 PolarHBondContact O-N 2.84Å; Y394-R398 HydrophobicContact CD1-CG 4.23Å; Y394-R398 HydrophobicContact CD2-CG 4.37Å; Y394-R398 HydrophobicContact CE1-CG 3.79Å; Y394-R398 HydrophobicContact CE2-CG 3.94Å; Y394-R398 HydrophobicContact CG-CG 4.5Å; Y394-R398 WeakPolarHBondContact O-CG 3.41Å; Y394-R398 PolarHBondContact O-N 3.35Å; Y394-F406 AromaticContact CD2-CD1 3.62Å; Y394-F406 HydrophobicContact CD2-CD1 3.62Å; Y394-F406 HydrophobicContact CD2-CD2 4.15Å; Y394-F406 AromaticContact CD2-CE1 3.48Å; Y394-F406 HydrophobicContact CD2-CE1 3.48Å; Y394-F406 VanDerWaalsContact CD2-CE1 3.48Å; Y394-F406 HydrophobicContact CD2-CE2 4.02Å; Y394-F406 AromaticContact CD2-CG 3.96Å; Y394-F406 HydrophobicContact CD2-CG 3.96Å; Y394-F406 AromaticContact CD2-CZ 3.69Å; Y394-F406 HydrophobicContact CD2-CZ 3.69Å; Y394-F406 HydrophobicContact CE2-CB 4.29Å; Y394-F406 AromaticContact CE2-CD1 3.8Å; Y394-F406 HydrophobicContact CE2-CD1 3.8Å; Y394-F406 AromaticContact CE2-CD2 3.97Å; Y394-F406 HydrophobicContact CE2-CD2 3.97Å; Y394-F406 HydrophobicContact CE2-CE1 4.12Å; Y394-F406 HydrophobicContact CE2-CE2 4.28Å; Y394-F406 AromaticContact CE2-CG 3.73Å; Y394-F406 HydrophobicContact CE2-CG 3.73Å; Y394-F406 HydrophobicContact CE2-CZ 4.34Å; Y394-F406 VanDerWaalsContact CE2-O 3.27Å; Y394-F406 WeakPolarHBondContact CE2-O 3.5Å; Y394-F406 HydrophobicContact CG-CE1 4.36Å; Y394-F406 PolarHBondContact OH-O 2.69Å; Y394-I408 HydrophobicContact CD1-CD1 3.66Å; Y394-I408 HydrophobicContact CD2-CD1 3.49Å; Y394-I408 VanDerWaalsContact CD2-CD1 3.49Å; Y394-I408 HydrophobicContact CD2-CG1 3.66Å; Y394-I408 HydrophobicContact CE1-CD1 3.93Å; Y394-I408 HydrophobicContact CE2-CD1 3.78Å; Y394-I408 HydrophobicContact CE2-CG1 3.73Å; Y394-I408 HydrophobicContact CG-CD1 3.43Å; Y394-I408 VanDerWaalsContact CG-CD1 3.43Å; Y394-I408 HydrophobicContact CG-CG1 4.15Å
395I96.8Very high96.2Very high45 Ų4562.3 Ų62.323%0.23131%0.308CS..Hα-helixtrans-58.7-49.1178.8-68159.3000110.1W276 L279 F391 T392 H397 R398 Q399W276-I395 HydrophobicContact CZ2-CD1 4.22Å; W276-I395 HydrophobicContact CZ2-CG1 4.26Å; L279-I395 HydrophobicContact CD2-CB 4.3Å; L279-I395 HydrophobicContact CD2-CG1 3.57Å; F391-I395 WeakPolarHBondContact O-CD1 3.47Å; F391-I395 VanDerWaalsContact O-CG1 3.24Å; F391-I395 WeakPolarHBondContact O-CG1 3.17Å; F391-I395 PolarHBondContact O-N 3.15Å; T392-I395 PolarHBondContact O-N 2.84Å; I395-H397 VanDerWaalsContact C-N 3.32Å; I395-H397 PolarHBondContact O-N 3.44Å; I395-R398 PolarHBondContact O-N 2.72Å; I395-Q399 HydrophobicContact CG2-CG 4.44Å; I395-Q399 VanDerWaalsContact O-CG 3.31Å; I395-Q399 WeakPolarHBondContact O-CG 3.45Å; I395-Q399 PolarHBondContact O-N 3.03Å
396Q95.3Very high96.2Very high82 Ų8254.4 Ų54.438%0.38327%0.274SS..Hα-helixtrans-58.8-43.6179.1-69.7175.7-3.100111.8T392 P393 Y394 Q399 R400T392-Q396 WeakPolarHBondContact O-CG 3.13Å; T392-Q396 PolarHBondContact O-N 2.91Å; T392-Q396 VanDerWaalsContact O-N 3.1Å; P393-Q396 PolarHBondContact O-N 3.21Å; Y394-Q396 VanDerWaalsContact C-N 3.35Å; Y394-Q396 PolarHBondContact O-N 3.24Å; Q396-Q399 PolarHBondContact O-N 2.82Å; Q396-R400 WeakPolarHBondContact O-CG 3.28Å; Q396-R400 PolarHBondContact O-N 3.04Å; Q396-R400 VanDerWaalsContact O-N 3.12Å
397H95.7Very high96.3Very high4 Ų453.2 Ų53.22%0.01927%0.265CS..Hα-helixtrans-64.8-45.7178.4-168.590.7000112.3F356 P393 Y394 I395 Q399 R400 N401 Q404 F406F356-H397 HydrophobicContact CE1-CB 4.1Å; F356-H397 AromaticContact CE1-ND1 3.72Å; F356-H397 HydrophobicContact CZ-CB 4.48Å; F356-H397 AromaticContact CZ-ND1 3.78Å; P393-H397 WeakPolarHBondContact O-CB 3.43Å; P393-H397 PolarHBondContact O-N 2.98Å; Y394-H397 PolarHBondContact O-N 2.84Å; I395-H397 VanDerWaalsContact C-N 3.32Å; I395-H397 PolarHBondContact O-N 3.44Å; H397-Q399 VanDerWaalsContact C-N 3.3Å; H397-Q399 PolarHBondContact O-N 2.79Å; H397-R400 PolarHBondContact O-N 3.02Å; H397-N401 PolarHBondContact CE1-ND2 2.85Å; H397-N401 WeakPolarHBondContact O-CB 3.37Å; H397-N401 PolarHBondContact O-N 2.02Å; H397-N401 PolarHBondContact O-ND2 3.41Å; H397-Q404 PolarHBondContact NE2-OE1 3.22Å; H397-F406 HydrophobicContact CB-CD1 4.13Å; H397-F406 HydrophobicContact CB-CE1 4.09Å; H397-F406 AromaticContact CD2-CD1 3.58Å; H397-F406 AromaticContact CG-CD1 3.98Å
398R96.2Very high96.4Very high25 Ų2551.1 Ų51.19%0.09425%0.254CS..Hα-helixtrans-64.4-33.3179.2-73.3-60.8-54.5132.83.7112.8L279 Y394 I395 N401 P402 Q404L279-R398 HydrophobicContact CD1-CB 3.5Å; L279-R398 HydrophobicContact CD1-CG 4.27Å; L279-R398 HydrophobicContact CG-CB 4.05Å; L279-R398 HydrophobicContact CG-CG 4.28Å; L279-R398 PolarHBondContact O-NE 2.89Å; Y394-R398 HydrophobicContact CD1-CG 4.23Å; Y394-R398 HydrophobicContact CD2-CG 4.37Å; Y394-R398 HydrophobicContact CE1-CG 3.79Å; Y394-R398 HydrophobicContact CE2-CG 3.94Å; Y394-R398 HydrophobicContact CG-CG 4.5Å; Y394-R398 WeakPolarHBondContact O-CG 3.41Å; Y394-R398 PolarHBondContact O-N 3.35Å; I395-R398 PolarHBondContact O-N 2.72Å; R398-N401 PolarHBondContact NH1-O 3.37Å; R398-P402 PolarHBondContact NH1-O 2.84Å; R398-P402 PolarHBondContact NH2-O 3.18Å; R398-P402 WeakPolarHBondContact O-CA 3.25Å; R398-Q404 PolarHBondContact NH1-O 2.74Å
399Q95.2Very high96.5Very high139 Ų13946.8 Ų46.865%0.6524%0.237SC*.Hα-helixtrans-69-40.4174.2-73.4172.8-15.900112.1I395 Q396 H397I395-Q399 HydrophobicContact CG2-CG 4.44Å; I395-Q399 VanDerWaalsContact O-CG 3.31Å; I395-Q399 WeakPolarHBondContact O-CG 3.45Å; I395-Q399 PolarHBondContact O-N 3.03Å; Q396-Q399 PolarHBondContact O-N 2.82Å; H397-Q399 VanDerWaalsContact C-N 3.3Å; H397-Q399 PolarHBondContact O-N 2.79Å
400R94.7Very high96.6Very high159 Ų15943.1 Ų43.160%0.622%0.218SC*.Hα-helixtrans-76.8-35179.4-68.6177.3-173.9-172.62.6113.1I357 Q396 H397 P402I357-R400 VanDerWaalsContact CG2-NH1 3.25Å; Q396-R400 WeakPolarHBondContact O-CG 3.28Å; Q396-R400 PolarHBondContact O-N 3.04Å; Q396-R400 VanDerWaalsContact O-N 3.12Å; H397-R400 PolarHBondContact O-N 3.02Å; R400-P402 VanDerWaalsContact C-CD 3.43Å; R400-P402 WeakPolarHBondContact O-CD 3.42Å
401N95.9Very high96.7Very high60 Ų6043.1 Ų43.132%0.32122%0.218SC..  trans-125.262.3-173.1-56.1-69.9000111H397 R398 N403 Q404H397-N401 PolarHBondContact CE1-ND2 2.85Å; H397-N401 WeakPolarHBondContact O-CB 3.37Å; H397-N401 PolarHBondContact O-N 2.02Å; H397-N401 PolarHBondContact O-ND2 3.41Å; R398-N401 PolarHBondContact NH1-O 3.37Å; N401-N403 PolarHBondContact O-N 2.88Å; N401-N403 VanDerWaalsContact O-N 3.15Å; N401-Q404 HydrophobicContact CB-CB 4.1Å; N401-Q404 PolarHBondContact O-N 2.64Å; N401-Q404 VanDerWaalsContact O-N 3.14Å
402P94.6Very high96.7Very high76 Ų7646.9 Ų46.949%0.49423%0.234SC..THydrogen-bonded Turntrans-60.6-30.4-172.223.9-34.4000113.1R398 R400R398-P402 PolarHBondContact NH1-O 2.84Å; R398-P402 PolarHBondContact NH2-O 3.18Å; R398-P402 WeakPolarHBondContact O-CA 3.25Å; R400-P402 VanDerWaalsContact C-CD 3.43Å; R400-P402 WeakPolarHBondContact O-CD 3.42Å
403N94.9Very high96.8Very high156 Ų15643.7 Ų43.783%0.83422%0.215SC*.THydrogen-bonded Turntrans-82.4-17.9-177.9-62.7-24.3000114N401 P405N401-N403 PolarHBondContact O-N 2.88Å; N401-N403 VanDerWaalsContact O-N 3.15Å; N403-P405 WeakPolarHBondContact O-CD 3.49Å
404Q96.3Very high96.9Very high21 Ų2143.1 Ų43.110%0.09821%0.21CC..SBendtrans-80.7120179.6-176.7-1762.100110.5Y362 V365 H397 R398 N401 F406Y362-Q404 PolarHBondContact O-NE2 3.33Å; V365-Q404 WeakPolarHBondContact O-CG 3.46Å; V365-Q404 PolarHBondContact O-NE2 2.74Å; H397-Q404 PolarHBondContact NE2-OE1 3.22Å; R398-Q404 PolarHBondContact NH1-O 2.74Å; N401-Q404 HydrophobicContact CB-CB 4.1Å; N401-Q404 PolarHBondContact O-N 2.64Å; N401-Q404 VanDerWaalsContact O-N 3.14Å; Q404-F406 PolarHBondContact O-N 3.16Å; Q404-F406 VanDerWaalsContact O-N 3.13Å
405P97.5Very high97Very high42 Ų4243.3 Ų43.327%0.27321%0.211SC..  trans-62119.3177.3-21.533.8000111.1I366 L367 N403 Y407I366-P405 HydrophobicContact CG1-CB 4.26Å; I366-P405 HydrophobicContact CG1-CG 4.31Å; I366-P405 HydrophobicContact CG2-CB 4.32Å; L367-P405 PolarHBondContact N-O 3.38Å; N403-P405 WeakPolarHBondContact O-CD 3.49Å; P405-Y407 HydrophobicContact CB-CE2 3.74Å
406F98.1Very high97Very high0 Ų044.3 Ų44.30%022%0.215CC..EExtended strand (participates in β ladder)trans-137.5111.4176.7-175.7-167.5000110.6P281 I344 L349 F356 L367 A369 Y394 H397 Q404P281-F406 VanDerWaalsContact CD-O 3.26Å; P281-F406 WeakPolarHBondContact CD-O 3.39Å; P281-F406 WeakPolarHBondContact CG-O 3.29Å; I344-F406 HydrophobicContact CD1-CE2 4.08Å; I344-F406 HydrophobicContact CD1-CZ 3.97Å; L349-F406 HydrophobicContact CD2-CE1 4.22Å; L349-F406 HydrophobicContact CD2-CZ 3.81Å; F356-F406 HydrophobicContact CE1-CE1 4.33Å; F356-F406 AromaticContact CZ-CE1 3.73Å; F356-F406 HydrophobicContact CZ-CE1 3.73Å; F356-F406 AromaticContact CZ-CZ 3.98Å; F356-F406 HydrophobicContact CZ-CZ 3.98Å; L367-F406 HydrophobicContact CB-CB 4.03Å; L367-F406 HydrophobicContact CB-CD2 3.24Å; L367-F406 HydrophobicContact CB-CE2 3.73Å; L367-F406 HydrophobicContact CB-CG 3.71Å; L367-F406 HydrophobicContact CD1-CD1 4.16Å; L367-F406 HydrophobicContact CD1-CD2 4.26Å; L367-F406 HydrophobicContact CD1-CE1 4.38Å; L367-F406 HydrophobicContact CD1-CE2 4.48Å; L367-F406 HydrophobicContact CD1-CG 4.1Å; L367-F406 HydrophobicContact CG-CD2 4.4Å; L367-F406 WeakPolarHBondContact O-CA 3.15Å; A369-F406 HydrophobicContact CB-CE2 3.55Å; A369-F406 HydrophobicContact CB-CZ 3.94Å; Y394-F406 AromaticContact CD2-CD1 3.62Å; Y394-F406 HydrophobicContact CD2-CD1 3.62Å; Y394-F406 HydrophobicContact CD2-CD2 4.15Å; Y394-F406 AromaticContact CD2-CE1 3.48Å; Y394-F406 HydrophobicContact CD2-CE1 3.48Å; Y394-F406 VanDerWaalsContact CD2-CE1 3.48Å; Y394-F406 HydrophobicContact CD2-CE2 4.02Å; Y394-F406 AromaticContact CD2-CG 3.96Å; Y394-F406 HydrophobicContact CD2-CG 3.96Å; Y394-F406 AromaticContact CD2-CZ 3.69Å; Y394-F406 HydrophobicContact CD2-CZ 3.69Å; Y394-F406 HydrophobicContact CE2-CB 4.29Å; Y394-F406 AromaticContact CE2-CD1 3.8Å; Y394-F406 HydrophobicContact CE2-CD1 3.8Å; Y394-F406 AromaticContact CE2-CD2 3.97Å; Y394-F406 HydrophobicContact CE2-CD2 3.97Å; Y394-F406 HydrophobicContact CE2-CE1 4.12Å; Y394-F406 HydrophobicContact CE2-CE2 4.28Å; Y394-F406 AromaticContact CE2-CG 3.73Å; Y394-F406 HydrophobicContact CE2-CG 3.73Å; Y394-F406 HydrophobicContact CE2-CZ 4.34Å; Y394-F406 VanDerWaalsContact CE2-O 3.27Å; Y394-F406 WeakPolarHBondContact CE2-O 3.5Å; Y394-F406 HydrophobicContact CG-CE1 4.36Å; Y394-F406 PolarHBondContact OH-O 2.69Å; H397-F406 HydrophobicContact CB-CD1 4.13Å; H397-F406 HydrophobicContact CB-CE1 4.09Å; H397-F406 AromaticContact CD2-CD1 3.58Å; H397-F406 AromaticContact CG-CD1 3.98Å; Q404-F406 PolarHBondContact O-N 3.16Å; Q404-F406 VanDerWaalsContact O-N 3.13Å
407Y98.6Very high97.2Very high5 Ų540.4 Ų40.42%0.0220%0.197CC..EExtended strand (participates in β ladder)trans-104.4154.5-176.3-60.1-90.2000111.7T263 P281 V283 L285 L288 I366 L367 V368 A369 P405T263-Y407 HydrophobicContact CG2-CD1 3.91Å; T263-Y407 HydrophobicContact CG2-CG 4.13Å; P281-Y407 HydrophobicContact CB-CD1 4.24Å; P281-Y407 HydrophobicContact CB-CE1 3.52Å; P281-Y407 HydrophobicContact CB-CE2 4.41Å; P281-Y407 HydrophobicContact CG-CD1 3.88Å; P281-Y407 HydrophobicContact CG-CD2 4.37Å; P281-Y407 HydrophobicContact CG-CE1 3.64Å; P281-Y407 HydrophobicContact CG-CE2 4.14Å; P281-Y407 HydrophobicContact CG-CG 4.24Å; V283-Y407 VanDerWaalsContact O-CE1 3.28Å; V283-Y407 WeakPolarHBondContact O-CE1 3.3Å; V283-Y407 PolarHBondContact O-OH 2.6Å; L285-Y407 HydrophobicContact CB-CD1 4.09Å; L285-Y407 HydrophobicContact CB-CD2 4.34Å; L285-Y407 HydrophobicContact CB-CE1 4.07Å; L285-Y407 HydrophobicContact CB-CE2 4.34Å; L285-Y407 HydrophobicContact CB-CG 4.23Å; L285-Y407 HydrophobicContact CD1-CD2 3.99Å; L285-Y407 HydrophobicContact CD1-CE2 3.94Å; L288-Y407 HydrophobicContact CD1-CE2 4Å; L288-Y407 WeakPolarHBondContact CD2-OH 3.47Å; I366-Y407 HydrophobicContact CG2-CD2 4.18Å; I366-Y407 HydrophobicContact CG2-CE2 4.08Å; L367-Y407 PolarHBondContact O-N 3.42Å; V368-Y407 CarbonylContact C-O 3.55Å; A369-Y407 PolarHBondContact N-O 2.87Å; P405-Y407 HydrophobicContact CB-CE2 3.74Å
408I98.8Very high97.3Very high1 Ų140.4 Ų40.41%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-115.1129163.6-67.6164.6000108T263 L264 W276 A369 W382 L390 F391 Y394T263-I408 CarbonylContact C-O 3.53Å; T263-I408 WeakPolarHBondContact CA-O 3.45Å; T263-I408 WeakPolarHBondContact CB-O 3.47Å; L264-I408 HydrophobicContact CD1-CB 3.96Å; L264-I408 HydrophobicContact CD1-CD1 4.38Å; L264-I408 HydrophobicContact CD1-CG2 3.76Å; L264-I408 HydrophobicContact CG-CB 4.22Å; L264-I408 HydrophobicContact CG-CG2 4.11Å; L264-I408 PolarHBondContact N-O 3.27Å; W276-I408 HydrophobicContact CH2-CD1 3.91Å; W276-I408 HydrophobicContact CZ3-CD1 3.82Å; A369-I408 HydrophobicContact CB-CG1 4.11Å; A369-I408 CarbonylContact O-C 3.56Å; A369-I408 WeakPolarHBondContact O-CA 3.3Å; W382-I408 HydrophobicContact CH2-CG2 3.67Å; W382-I408 HydrophobicContact CZ2-CG2 4.33Å; L390-I408 HydrophobicContact CD1-CD1 4.39Å; L390-I408 HydrophobicContact CD1-CG1 4.36Å; L390-I408 HydrophobicContact CD1-CG2 3.97Å; F391-I408 HydrophobicContact CD1-CD1 4.33Å; Y394-I408 HydrophobicContact CD1-CD1 3.66Å; Y394-I408 HydrophobicContact CD2-CD1 3.49Å; Y394-I408 VanDerWaalsContact CD2-CD1 3.49Å; Y394-I408 HydrophobicContact CD2-CG1 3.66Å; Y394-I408 HydrophobicContact CE1-CD1 3.93Å; Y394-I408 HydrophobicContact CE2-CD1 3.78Å; Y394-I408 HydrophobicContact CE2-CG1 3.73Å; Y394-I408 HydrophobicContact CG-CD1 3.43Å; Y394-I408 VanDerWaalsContact CG-CD1 3.43Å; Y394-I408 HydrophobicContact CG-CG1 4.15Å
409L98.7Very high97.4Very high1 Ų140.6 Ų40.61%0.00520%0.199CC..BIsolated β-bridgetrans-66.5138.3176.4-66.6-175.8000111.3T263 I343 V368 A369 W370 F413 I414 I439 I443T263-L409 HydrophobicContact CG2-CD2 4.15Å; I343-L409 HydrophobicContact CD1-CD1 4.24Å; V368-L409 HydrophobicContact CG1-CD1 4.18Å; V368-L409 HydrophobicContact CG1-CD2 3.59Å; V368-L409 HydrophobicContact CG1-CG 3.64Å; A369-L409 PolarHBondContact O-N 3.06Å; W370-L409 HydrophobicContact CB-CB 4Å; W370-L409 HydrophobicContact CB-CD1 3.79Å; W370-L409 HydrophobicContact CB-CG 4.11Å; W370-L409 HydrophobicContact CG-CD1 4.44Å; L409-F413 HydrophobicContact CD1-CD1 4.39Å; L409-F413 HydrophobicContact CD1-CE1 4.32Å; L409-F413 HydrophobicContact CD2-CD1 4.28Å; L409-F413 HydrophobicContact CD2-CE1 4.35Å; L409-I414 HydrophobicContact CB-CD1 4.21Å; L409-I414 HydrophobicContact CB-CG1 4.48Å; L409-I439 HydrophobicContact CD1-CG2 3.28Å; L409-I443 HydrophobicContact CD1-CD1 4.22Å; L409-I443 HydrophobicContact CD2-CD1 4.12Å
410H98.5Very high97.5Very high0 Ų034 Ų340%017%0.168CC..  trans-78.1130.5176.9-173.8-62.3000110.1R262 E268 K412 F413R262-H410 HydrophobicContact CB-CB 4.04Å; R262-H410 HydrophobicContact CG-CB 3.69Å; R262-H410 PolarHBondContact NE-CD2 3Å; R262-H410 WeakPolarHBondContact O-CB 3.48Å; R262-H410 PolarHBondContact O-N 2.89Å; E268-H410 IonicContact OE1-CD2 3.89Å; E268-H410 IonicContact OE1-NE2 3.76Å; E268-H410 PolarHBondContact OE1-NE2 3.11Å; E268-H410 IonicContact OE2-NE2 3.66Å; H410-K412 VanDerWaalsContact C-N 3.31Å; H410-K412 VanDerWaalsContact CE1-CG 3.49Å; H410-K412 WeakPolarHBondContact CE1-CG 3.45Å; H410-K412 WeakPolarHBondContact ND1-CB 3.14Å; H410-K412 PolarHBondContact ND1-N 2.82Å; H410-K412 PolarHBondContact O-N 3.11Å; H410-K412 VanDerWaalsContact O-N 3.11Å; H410-F413 WeakPolarHBondContact O-CB 3.46Å; H410-F413 PolarHBondContact O-N 2.96Å
411P98.2Very high97.7Very high1 Ų126.4 Ų26.41%0.00614%0.14CC..Hα-helixtrans-47.8-41.5-179.8-3740.4000116.5A373 A377 L379 W382 F413 I414 W415A373-P411 HydrophobicContact CB-CB 3.62Å; A373-P411 HydrophobicContact CB-CG 3.51Å; A377-P411 HydrophobicContact CB-CB 3.89Å; L379-P411 HydrophobicContact CD2-CG 3.98Å; W382-P411 HydrophobicContact CD2-CG 3.89Å; W382-P411 HydrophobicContact CE3-CG 3.64Å; W382-P411 HydrophobicContact CH2-CG 4.21Å; W382-P411 HydrophobicContact CZ2-CG 4.46Å; W382-P411 HydrophobicContact CZ3-CG 3.81Å; P411-F413 VanDerWaalsContact C-N 3.3Å; P411-F413 PolarHBondContact O-N 3.17Å; P411-I414 PolarHBondContact O-N 3.05Å; P411-I414 VanDerWaalsContact O-N 3.16Å; P411-W415 PolarHBondContact O-N 3.22Å
412K97.8Very high97.7Very high83 Ų8323.9 Ų23.936%0.36113%0.126SC..Hα-helixtrans-52-43.6174.5-73.8172.2-176164.50113.4E268 A377 H410 I414 W415 Q416E268-K412 IonicContact OE2-NZ 3.43Å; A377-K412 HydrophobicContact CB-CB 4.5Å; A377-K412 HydrophobicContact CB-CG 3.63Å; H410-K412 VanDerWaalsContact C-N 3.31Å; H410-K412 VanDerWaalsContact CE1-CG 3.49Å; H410-K412 WeakPolarHBondContact CE1-CG 3.45Å; H410-K412 WeakPolarHBondContact ND1-CB 3.14Å; H410-K412 PolarHBondContact ND1-N 2.82Å; H410-K412 PolarHBondContact O-N 3.11Å; H410-K412 VanDerWaalsContact O-N 3.11Å; K412-I414 VanDerWaalsContact C-N 3.33Å; K412-I414 PolarHBondContact O-N 2.85Å; K412-W415 PolarHBondContact O-N 2.98Å; K412-Q416 VanDerWaalsContact O-CB 3.3Å; K412-Q416 WeakPolarHBondContact O-CB 3.01Å; K412-Q416 WeakPolarHBondContact O-CG 3.42Å; K412-Q416 PolarHBondContact O-N 2.83Å; K412-Q416 PolarHBondContact O-OE1 3.49Å
413F98.3Very high97.8Very high0 Ų021.5 Ų21.50%011%0.108CC..Hα-helixtrans-61.7-44.4179.6167.4-117.4000110.9A259 P260 V261 R262 L409 H410 P411 W415 Q416 L417 I439 L442 I443A259-F413 HydrophobicContact CB-CD2 4.48Å; A259-F413 HydrophobicContact CB-CE2 4.45Å; A259-F413 WeakPolarHBondContact O-CE2 3.32Å; P260-F413 WeakPolarHBondContact O-CD2 2.93Å; V261-F413 HydrophobicContact CB-CE2 4.4Å; V261-F413 HydrophobicContact CB-CZ 4.4Å; V261-F413 HydrophobicContact CG2-CE2 3.97Å; V261-F413 HydrophobicContact CG2-CZ 3.84Å; R262-F413 HydrophobicContact CB-CB 4.16Å; L409-F413 HydrophobicContact CD1-CD1 4.39Å; L409-F413 HydrophobicContact CD1-CE1 4.32Å; L409-F413 HydrophobicContact CD2-CD1 4.28Å; L409-F413 HydrophobicContact CD2-CE1 4.35Å; H410-F413 WeakPolarHBondContact O-CB 3.46Å; H410-F413 PolarHBondContact O-N 2.96Å; P411-F413 VanDerWaalsContact C-N 3.3Å; P411-F413 PolarHBondContact O-N 3.17Å; F413-W415 PolarHBondContact O-N 3.1Å; F413-Q416 PolarHBondContact O-N 3.36Å; F413-L417 HydrophobicContact CD2-CG 4.45Å; F413-L417 HydrophobicContact CE1-CD1 4.1Å; F413-L417 HydrophobicContact CE2-CD1 3.97Å; F413-L417 HydrophobicContact CE2-CD2 4.22Å; F413-L417 HydrophobicContact CE2-CG 4.09Å; F413-L417 HydrophobicContact CZ-CD1 3.7Å; F413-L417 HydrophobicContact CZ-CG 4.34Å; F413-L417 WeakPolarHBondContact O-CG 3.17Å; F413-L417 PolarHBondContact O-N 2.8Å; F413-L417 VanDerWaalsContact O-N 3.11Å; F413-I439 HydrophobicContact CE1-CG2 4.07Å; F413-L442 HydrophobicContact CZ-CB 4.19Å; F413-I443 HydrophobicContact CE1-CG1 4.41Å
414I98.4Very high97.8Very high3 Ų314.3 Ų14.32%0.0157%0.07CC..Hα-helixtrans-62.9-46.2-179.6-57.9174.5000111.1W370 L409 P411 K412 L417 W418 P433 I439W370-I414 HydrophobicContact CB-CD1 4.17Å; W370-I414 HydrophobicContact CE3-CD1 3.9Å; L409-I414 HydrophobicContact CB-CD1 4.21Å; L409-I414 HydrophobicContact CB-CG1 4.48Å; P411-I414 PolarHBondContact O-N 3.05Å; P411-I414 VanDerWaalsContact O-N 3.16Å; K412-I414 VanDerWaalsContact C-N 3.33Å; K412-I414 PolarHBondContact O-N 2.85Å; I414-L417 WeakPolarHBondContact O-CB 3.21Å; I414-L417 PolarHBondContact O-N 2.92Å; I414-W418 PolarHBondContact O-N 2.93Å; I414-W418 VanDerWaalsContact O-N 3.15Å; I414-P433 HydrophobicContact CG2-CB 3.74Å; I414-P433 HydrophobicContact CG2-CG 4.47Å; I414-I439 HydrophobicContact CG1-CD1 4.42Å; I414-I439 HydrophobicContact CG2-CD1 4.31Å
415W98.3Very high97.7Very high7 Ų714 Ų143%0.0277%0.07CC..Hα-helixtrans-74.6-29.1179.8-71.6120.1000113.5H234 V236 A373 P374 Y375 P411 K412 F413 L417 W418 D419 P433H234-W415 HydrophobicContact CB-CH2 3.72Å; H234-W415 HydrophobicContact CB-CZ2 3.59Å; H234-W415 AromaticContact CG-CH2 3.99Å; H234-W415 AromaticContact CG-CZ2 3.81Å; V236-W415 HydrophobicContact CG2-CH2 3.7Å; V236-W415 HydrophobicContact CG2-CZ3 3.67Å; A373-W415 VanDerWaalsContact O-CZ2 3.28Å; A373-W415 WeakPolarHBondContact O-CZ2 3.46Å; A373-W415 PolarHBondContact O-NE1 3.22Å; P374-W415 PolarHBondContact O-NE1 2.83Å; Y375-W415 HydrophobicContact CD2-CB 4.27Å; Y375-W415 AromaticContact CD2-CD2 3.68Å; Y375-W415 HydrophobicContact CD2-CD2 3.68Å; Y375-W415 AromaticContact CD2-CE3 3.58Å; Y375-W415 HydrophobicContact CD2-CE3 3.58Å; Y375-W415 AromaticContact CD2-CG 3.99Å; Y375-W415 HydrophobicContact CD2-CG 3.99Å; Y375-W415 HydrophobicContact CD2-CZ3 4.15Å; Y375-W415 HydrophobicContact CE2-CB 4.43Å; Y375-W415 HydrophobicContact CE2-CD2 4.47Å; Y375-W415 HydrophobicContact CE2-CE3 4.16Å; P411-W415 PolarHBondContact O-N 3.22Å; K412-W415 PolarHBondContact O-N 2.98Å; F413-W415 PolarHBondContact O-N 3.1Å; W415-L417 VanDerWaalsContact C-N 3.31Å; W415-L417 PolarHBondContact O-N 3.42Å; W415-W418 HydrophobicContact CE3-CB 3.73Å; W415-W418 HydrophobicContact CE3-CD2 4.26Å; W415-W418 AromaticContact CE3-CG 3.84Å; W415-W418 HydrophobicContact CE3-CG 3.84Å; W415-W418 HydrophobicContact CZ3-CB 4.2Å; W415-W418 AromaticContact CZ3-CD1 3.98Å; W415-W418 HydrophobicContact CZ3-CD2 4.17Å; W415-W418 AromaticContact CZ3-CG 3.83Å; W415-W418 HydrophobicContact CZ3-CG 3.83Å; W415-W418 WeakPolarHBondContact O-CB 3.44Å; W415-W418 PolarHBondContact O-N 3.37Å; W415-D419 PolarHBondContact O-N 3.26Å; W415-P433 HydrophobicContact CH2-CG 3.97Å; W415-P433 HydrophobicContact CZ2-CG 3.91Å
416Q98.1Very high97.5Very high66 Ų6619.2 Ų19.231%0.3089%0.088SC..Hα-helixtrans-62.2-39.1169.6-77.7168.8-30.200111.7R258 A259 K412 F413 D419 I420R258-Q416 PolarHBondContact O-NE2 3.46Å; R258-Q416 PolarHBondContact O-OE1 3.31Å; A259-Q416 HydrophobicContact CB-CB 4.22Å; K412-Q416 VanDerWaalsContact O-CB 3.3Å; K412-Q416 WeakPolarHBondContact O-CB 3.01Å; K412-Q416 WeakPolarHBondContact O-CG 3.42Å; K412-Q416 PolarHBondContact O-N 2.83Å; K412-Q416 PolarHBondContact O-OE1 3.49Å; F413-Q416 PolarHBondContact O-N 3.36Å; Q416-D419 PolarHBondContact O-N 2.94Å; Q416-I420 VanDerWaalsContact O-CG1 3.31Å; Q416-I420 WeakPolarHBondContact O-CG1 3.37Å; Q416-I420 PolarHBondContact O-N 3.05Å; Q416-I420 VanDerWaalsContact O-N 3.09Å
417L98.4Very high97.3Very high0 Ų021.6 Ų21.60%010%0.099CC..Hα-helixtrans-63.6-43.4173-68.2-176.9000111.6L255 A259 F413 I414 W415 D419 I420 I421 P434 F438 I439 L442L255-L417 HydrophobicContact CD2-CD2 4.36Å; A259-L417 HydrophobicContact CB-CD2 3.56Å; A259-L417 HydrophobicContact CB-CG 4.35Å; F413-L417 HydrophobicContact CD2-CG 4.45Å; F413-L417 HydrophobicContact CE1-CD1 4.1Å; F413-L417 HydrophobicContact CE2-CD1 3.97Å; F413-L417 HydrophobicContact CE2-CD2 4.22Å; F413-L417 HydrophobicContact CE2-CG 4.09Å; F413-L417 HydrophobicContact CZ-CD1 3.7Å; F413-L417 HydrophobicContact CZ-CG 4.34Å; F413-L417 WeakPolarHBondContact O-CG 3.17Å; F413-L417 PolarHBondContact O-N 2.8Å; F413-L417 VanDerWaalsContact O-N 3.11Å; I414-L417 WeakPolarHBondContact O-CB 3.21Å; I414-L417 PolarHBondContact O-N 2.92Å; W415-L417 VanDerWaalsContact C-N 3.31Å; W415-L417 PolarHBondContact O-N 3.42Å; L417-D419 PolarHBondContact O-N 3.37Å; L417-I420 PolarHBondContact O-N 3.49Å; L417-I421 VanDerWaalsContact O-CG1 3.31Å; L417-I421 WeakPolarHBondContact O-CG1 3.43Å; L417-I421 PolarHBondContact O-N 2.84Å; L417-P434 HydrophobicContact CB-CG 3.95Å; L417-F438 HydrophobicContact CB-CD1 4.41Å; L417-F438 HydrophobicContact CB-CE1 4.11Å; L417-F438 HydrophobicContact CD1-CD1 4.29Å; L417-F438 HydrophobicContact CD1-CE1 4.44Å; L417-F438 HydrophobicContact CD2-CE1 4.25Å; L417-I439 HydrophobicContact CD1-CG1 4.22Å; L417-L442 HydrophobicContact CD1-CB 4.33Å; L417-L442 HydrophobicContact CD1-CG 4.22Å; L417-L442 HydrophobicContact CD2-CB 4.43Å; L417-L442 HydrophobicContact CD2-CD1 4.32Å; L417-L442 HydrophobicContact CD2-CD2 4.47Å; L417-L442 HydrophobicContact CD2-CG 3.73Å
418W98.6Very high97.1Very high4 Ų428 Ų282%0.01513%0.127CC..Hα-helixtrans-58.9-45.9175.1-171.291.3000112.1V236 F238 Y375 I414 W415 I420 I421 Q422 I429 Q430 N432 P434V236-W418 HydrophobicContact CG1-CE3 4.17Å; V236-W418 HydrophobicContact CG1-CH2 3.41Å; V236-W418 VanDerWaalsContact CG1-CH2 3.41Å; V236-W418 HydrophobicContact CG1-CZ2 3.85Å; V236-W418 HydrophobicContact CG1-CZ3 3.57Å; F238-W418 HydrophobicContact CB-CH2 4.02Å; F238-W418 HydrophobicContact CB-CZ3 3.85Å; F238-W418 AromaticContact CD2-CZ3 3.79Å; F238-W418 HydrophobicContact CD2-CZ3 3.79Å; F238-W418 HydrophobicContact CG-CH2 4.45Å; F238-W418 HydrophobicContact CG-CZ3 4.08Å; Y375-W418 HydrophobicContact CE2-CE3 4.26Å; I414-W418 PolarHBondContact O-N 2.93Å; I414-W418 VanDerWaalsContact O-N 3.15Å; W415-W418 HydrophobicContact CE3-CB 3.73Å; W415-W418 HydrophobicContact CE3-CD2 4.26Å; W415-W418 AromaticContact CE3-CG 3.84Å; W415-W418 HydrophobicContact CE3-CG 3.84Å; W415-W418 HydrophobicContact CZ3-CB 4.2Å; W415-W418 AromaticContact CZ3-CD1 3.98Å; W415-W418 HydrophobicContact CZ3-CD2 4.17Å; W415-W418 AromaticContact CZ3-CG 3.83Å; W415-W418 HydrophobicContact CZ3-CG 3.83Å; W415-W418 WeakPolarHBondContact O-CB 3.44Å; W415-W418 PolarHBondContact O-N 3.37Å; W418-I420 VanDerWaalsContact C-N 3.31Å; W418-I420 PolarHBondContact O-N 3.07Å; W418-I421 PolarHBondContact O-N 2.97Å; W418-I421 VanDerWaalsContact O-N 3.16Å; W418-Q422 HydrophobicContact CE3-CB 4.25Å; W418-Q422 HydrophobicContact CH2-CB 3.92Å; W418-Q422 HydrophobicContact CH2-CG 3.85Å; W418-Q422 HydrophobicContact CZ2-CB 4.43Å; W418-Q422 HydrophobicContact CZ3-CB 3.84Å; W418-Q422 HydrophobicContact CZ3-CG 4.06Å; W418-Q422 PolarHBondContact O-N 2.87Å; W418-I429 HydrophobicContact CD2-CD1 4.26Å; W418-I429 HydrophobicContact CG-CD1 4.48Å; W418-I429 HydrophobicContact CH2-CG1 4.36Å; W418-I429 HydrophobicContact CZ2-CD1 3.95Å; W418-I429 HydrophobicContact CZ2-CG1 3.49Å; W418-I429 VanDerWaalsContact CZ2-CG1 3.49Å; W418-Q430 PolarHBondContact NE1-O 3.13Å; W418-N432 PolarHBondContact NE1-O 3.31Å; W418-P434 HydrophobicContact CB-CG 4.13Å
419D97.9Very high97.1Very high28 Ų2828 Ų2815%0.1513%0.127CC..Hα-helixtrans-57.9-44.7177.5-77.1-19.1000111.2Y375 W415 Q416 L417 I421 Q422 E423Y375-D419 PolarHBondContact OH-OD1 2.84Å; W415-D419 PolarHBondContact O-N 3.26Å; Q416-D419 PolarHBondContact O-N 2.94Å; L417-D419 PolarHBondContact O-N 3.37Å; D419-I421 VanDerWaalsContact C-N 3.34Å; D419-I421 PolarHBondContact O-N 3.46Å; D419-Q422 PolarHBondContact O-N 3.27Å; D419-E423 WeakPolarHBondContact O-CB 3.05Å; D419-E423 WeakPolarHBondContact O-CG 3.49Å; D419-E423 PolarHBondContact O-N 3.41Å
420I97.4Very high97Very high1 Ų128.1 Ų28.11%0.00513%0.127CC..Hα-helixtrans-64.7-38.9178.8-66.9168.3000111.3L251 L255 R258 A259 Q416 L417 W418 N424 L491L251-I420 HydrophobicContact CD1-CG2 4.19Å; L255-I420 HydrophobicContact CD2-CB 4.37Å; L255-I420 HydrophobicContact CD2-CD1 3.88Å; L255-I420 HydrophobicContact CD2-CG2 3.69Å; L255-I420 HydrophobicContact CG-CG2 4.28Å; R258-I420 HydrophobicContact CB-CD1 4.11Å; A259-I420 HydrophobicContact CB-CD1 3.86Å; Q416-I420 VanDerWaalsContact O-CG1 3.31Å; Q416-I420 WeakPolarHBondContact O-CG1 3.37Å; Q416-I420 PolarHBondContact O-N 3.05Å; Q416-I420 VanDerWaalsContact O-N 3.09Å; L417-I420 PolarHBondContact O-N 3.49Å; W418-I420 VanDerWaalsContact C-N 3.31Å; W418-I420 PolarHBondContact O-N 3.07Å; I420-N424 WeakPolarHBondContact O-CB 3.39Å; I420-N424 PolarHBondContact O-N 3.45Å; I420-N424 VanDerWaalsContact O-N 3.07Å; I420-N424 PolarHBondContact O-ND2 3Å; I420-L491 HydrophobicContact CG2-CD1 4.36Å
421I97.7Very high97Very high0 Ų028.5 Ų28.50%013%0.13CC..Hα-helixtrans-62.8-47174.7-61.9158.3000110L417 W418 D419 N424 T425 I429 P434 F438 E488 L491L417-I421 VanDerWaalsContact O-CG1 3.31Å; L417-I421 WeakPolarHBondContact O-CG1 3.43Å; L417-I421 PolarHBondContact O-N 2.84Å; W418-I421 PolarHBondContact O-N 2.97Å; W418-I421 VanDerWaalsContact O-N 3.16Å; D419-I421 VanDerWaalsContact C-N 3.34Å; D419-I421 PolarHBondContact O-N 3.46Å; I421-N424 PolarHBondContact O-N 3.44Å; I421-T425 VanDerWaalsContact O-CB 3.27Å; I421-T425 WeakPolarHBondContact O-CB 3.46Å; I421-T425 PolarHBondContact O-N 3.3Å; I421-T425 PolarHBondContact O-OG1 3.31Å; I421-I429 HydrophobicContact CB-CD1 3.96Å; I421-I429 HydrophobicContact CG2-CD1 3.61Å; I421-P434 HydrophobicContact CD1-CB 4.03Å; I421-P434 HydrophobicContact CD1-CG 3.85Å; I421-F438 HydrophobicContact CD1-CD1 3.94Å; I421-F438 HydrophobicContact CD1-CE1 3.7Å; I421-F438 HydrophobicContact CD1-CZ 4.21Å; I421-F438 HydrophobicContact CG1-CE1 3.92Å; I421-F438 HydrophobicContact CG1-CZ 4.02Å; I421-E488 HydrophobicContact CD1-CG 3.68Å; I421-L491 HydrophobicContact CG1-CD1 4.13Å
422Q97.3Very high97Very high7 Ų728.5 Ų28.53%0.03313%0.13CC..Hα-helixtrans-66.4-41.6-179.3-179.658.395.800111.9F238 W418 D419 N424 T425 E427 I429F238-Q422 HydrophobicContact CB-CG 4.47Å; F238-Q422 HydrophobicContact CD1-CG 3.6Å; F238-Q422 HydrophobicContact CD2-CB 4.25Å; F238-Q422 HydrophobicContact CD2-CG 3.89Å; F238-Q422 HydrophobicContact CE1-CG 3.63Å; F238-Q422 HydrophobicContact CE2-CB 4.09Å; F238-Q422 HydrophobicContact CE2-CG 3.92Å; F238-Q422 HydrophobicContact CG-CG 3.71Å; F238-Q422 HydrophobicContact CZ-CB 4.25Å; F238-Q422 HydrophobicContact CZ-CG 3.79Å; W418-Q422 HydrophobicContact CE3-CB 4.25Å; W418-Q422 HydrophobicContact CH2-CB 3.92Å; W418-Q422 HydrophobicContact CH2-CG 3.85Å; W418-Q422 HydrophobicContact CZ2-CB 4.43Å; W418-Q422 HydrophobicContact CZ3-CB 3.84Å; W418-Q422 HydrophobicContact CZ3-CG 4.06Å; W418-Q422 PolarHBondContact O-N 2.87Å; D419-Q422 PolarHBondContact O-N 3.27Å; Q422-N424 VanDerWaalsContact C-N 3.26Å; Q422-N424 PolarHBondContact O-N 3.24Å; Q422-T425 PolarHBondContact O-N 3.41Å; Q422-T425 VanDerWaalsContact O-O 3.04Å; Q422-E427 PolarHBondContact NE2-O 3.1Å; Q422-I429 HydrophobicContact CB-CD1 3.82Å; Q422-I429 HydrophobicContact CB-CG1 4.23Å
423E96.4Very high97Very high26 Ų2624.6 Ų24.612%0.12111%0.113CC..Hα-helixtrans-59.2-38.9174.9-75.5171.5173.400111.4F238 K241 R242 E243 Q254 R258 D419 T425F238-E423 HydrophobicContact CE2-CG 3.79Å; F238-E423 HydrophobicContact CZ-CB 4.42Å; F238-E423 HydrophobicContact CZ-CG 3.52Å; K241-E423 WeakPolarHBondContact O-CA 3.33Å; R242-E423 CarbonylContact C-O 3.59Å; R242-E423 WeakPolarHBondContact CA-O 3.17Å; E243-E423 CarbonylContact C-O 3.55Å; E243-E423 PolarHBondContact N-O 3.24Å; Q254-E423 PolarHBondContact NE2-OE2 3.22Å; R258-E423 IonicContact CZ-OE1 3.76Å; R258-E423 VanDerWaalsContact CZ-OE1 3.26Å; R258-E423 IonicContact CZ-OE2 2.71Å; R258-E423 IonicContact NH1-OE1 2.69Å; R258-E423 PolarHBondContact NH1-OE1 2.65Å; R258-E423 IonicContact NH1-OE2 3.53Å; R258-E423 PolarHBondContact NH1-OE2 3.23Å; R258-E423 IonicContact NH2-OE1 2.72Å; R258-E423 PolarHBondContact NH2-OE1 3.03Å; R258-E423 IonicContact NH2-OE2 3.57Å; D419-E423 WeakPolarHBondContact O-CB 3.05Å; D419-E423 WeakPolarHBondContact O-CG 3.49Å; D419-E423 PolarHBondContact O-N 3.41Å; E423-T425 VanDerWaalsContact C-N 3.28Å; E423-T425 PolarHBondContact O-N 3.46Å
424N95.6Very high97Very high5 Ų524.6 Ų24.63%0.02711%0.113CC..THydrogen-bonded Turntrans-89.215.1-177.9-76.1-87.9000114.3E243 T244 Q254 I420 I421 Q422 L491E243-N424 WeakPolarHBondContact O-CA 3.18Å; T244-N424 WeakPolarHBondContact CG2-O 3.26Å; Q254-N424 PolarHBondContact OE1-ND2 3.12Å; I420-N424 WeakPolarHBondContact O-CB 3.39Å; I420-N424 PolarHBondContact O-N 3.45Å; I420-N424 VanDerWaalsContact O-N 3.07Å; I420-N424 PolarHBondContact O-ND2 3Å; I421-N424 PolarHBondContact O-N 3.44Å; Q422-N424 VanDerWaalsContact C-N 3.26Å; Q422-N424 PolarHBondContact O-N 3.24Å; N424-L491 HydrophobicContact CB-CD1 4.26Å
425T94Very high97.1Very high15 Ų1524.9 Ų24.99%0.09212%0.115CC..  trans-134.1132.2-175.6-59.70000111.4R242 I421 Q422 E423 E427 I429 Y487R242-T425 WeakPolarHBondContact CB-O 3.45Å; I421-T425 VanDerWaalsContact O-CB 3.27Å; I421-T425 WeakPolarHBondContact O-CB 3.46Å; I421-T425 PolarHBondContact O-N 3.3Å; I421-T425 PolarHBondContact O-OG1 3.31Å; Q422-T425 PolarHBondContact O-N 3.41Å; Q422-T425 VanDerWaalsContact O-O 3.04Å; E423-T425 VanDerWaalsContact C-N 3.28Å; E423-T425 PolarHBondContact O-N 3.46Å; T425-E427 HydrophobicContact CG2-CB 4.28Å; T425-I429 HydrophobicContact CG2-CG2 3.79Å; T425-Y487 HydrophobicContact CG2-CD1 3.3Å; T425-Y487 HydrophobicContact CG2-CE1 3.54Å; T425-Y487 HydrophobicContact CG2-CG 4Å
426K91.9Very high97.1Very high150 Ų15025.1 Ų25.165%0.65212%0.118SC*.SBendtrans-69.2-37.5177.8-75.3177.2-170.8-174.40112.8R242 T244R242-K426 PolarHBondContact NH1-O 2.82Å; T244-K426 HydrophobicContact CG2-CB 4.44Å; T244-K426 HydrophobicContact CG2-CD 4.34Å; T244-K426 HydrophobicContact CG2-CG 3.62Å; T244-K426 WeakPolarHBondContact OG1-CE 3.42Å
427E93.9Very high97.1Very high51 Ų5122.3 Ų22.324%0.23811%0.107CC..SBendtrans-80.4153.7-177-66.7169.6-149.900111.2S213 S214 Q422 T425 I429 Y487S213-E427 WeakPolarHBondContact CB-OE1 3.36Å; S213-E427 PolarHBondContact OG-OE1 3.14Å; S214-E427 WeakPolarHBondContact CB-OE2 3.45Å; S214-E427 PolarHBondContact N-OE2 3.41Å; S214-E427 PolarHBondContact OG-OE2 3.12Å; Q422-E427 PolarHBondContact NE2-O 3.1Å; T425-E427 HydrophobicContact CG2-CB 4.28Å; E427-I429 PolarHBondContact O-N 2.97Å; E427-Y487 HydrophobicContact CB-CE1 4.14Å; E427-Y487 PolarHBondContact OE2-OH 3.05Å
428K95.7Very high97.1Very high138 Ų13822.3 Ų22.360%0.611%0.107SC*.PPolyproline II helixtrans-71.3125.5168-70.9-173.4177-176.90107.8M225 L229M225-K428 WeakPolarHBondContact CE-O 3.26Å; L229-K428 HydrophobicContact CD2-CB 3.96Å
429I97.3Very high97.1Very high2 Ų222.1 Ų22.11%0.0111%0.106CC..PPolyproline II helixtrans-92.8163179.374.5-179.6000110.3L229 W418 I421 Q422 T425 E427 P484 Y487L229-I429 VanDerWaalsContact CD2-O 3.29Å; L229-I429 WeakPolarHBondContact CD2-O 3.49Å; W418-I429 HydrophobicContact CD2-CD1 4.26Å; W418-I429 HydrophobicContact CG-CD1 4.48Å; W418-I429 HydrophobicContact CH2-CG1 4.36Å; W418-I429 HydrophobicContact CZ2-CD1 3.95Å; W418-I429 HydrophobicContact CZ2-CG1 3.49Å; W418-I429 VanDerWaalsContact CZ2-CG1 3.49Å; I421-I429 HydrophobicContact CB-CD1 3.96Å; I421-I429 HydrophobicContact CG2-CD1 3.61Å; Q422-I429 HydrophobicContact CB-CD1 3.82Å; Q422-I429 HydrophobicContact CB-CG1 4.23Å; T425-I429 HydrophobicContact CG2-CG2 3.79Å; E427-I429 PolarHBondContact O-N 2.97Å; I429-P484 HydrophobicContact CB-CB 3.94Å; I429-P484 HydrophobicContact CD1-CB 3.96Å; I429-P484 HydrophobicContact CD1-CG 4.24Å; I429-P484 HydrophobicContact CG1-CB 4.17Å; I429-Y487 HydrophobicContact CB-CD2 3.77Å; I429-Y487 HydrophobicContact CB-CE2 4Å; I429-Y487 HydrophobicContact CB-CG 4.47Å; I429-Y487 HydrophobicContact CG2-CD1 4.16Å; I429-Y487 HydrophobicContact CG2-CD2 3.35Å; I429-Y487 HydrophobicContact CG2-CE1 4.41Å; I429-Y487 HydrophobicContact CG2-CE2 3.65Å; I429-Y487 HydrophobicContact CG2-CG 3.61Å
430Q98.1Very high97.2Very high3 Ų320.8 Ų20.81%0.01410%0.099CC..PPolyproline II helixtrans-53.1128.3175.6-67.287.9-29.700110.2M225 W418 N432 A481 Y482M225-Q430 HydrophobicContact CG-CG 4.11Å; W418-Q430 PolarHBondContact NE1-O 3.13Å; Q430-N432 PolarHBondContact O-N 3.17Å; Q430-A481 WeakPolarHBondContact CG-O 3.27Å; Q430-A481 PolarHBondContact NE2-O 2.84Å; Q430-Y482 WeakPolarHBondContact CB-O 3.35Å
431P98.1Very high97.2Very high8 Ų820.8 Ų20.85%0.05210%0.099CC..SBendtrans-79.445.2-178.135.1-36.9000111.7Y228 N232 V236Y228-P431 WeakPolarHBondContact O-CG 3.46Å; N232-P431 HydrophobicContact CB-CG 4.21Å; N232-P431 WeakPolarHBondContact OD1-CB 3.29Å; V236-P431 HydrophobicContact CB-CB 3.71Å; V236-P431 HydrophobicContact CG1-CB 4.36Å; V236-P431 HydrophobicContact CG2-CB 3.69Å; V236-P431 WeakPolarHBondContact CG2-O 3.46Å
432N98.3Very high97.3Very high2 Ų220.9 Ų20.91%0.01110%0.1CC..SBendtrans-123.9153-179.9-64.6-39.4000109Y228 H234 W418 Q430 Y482Y228-N432 WeakPolarHBondContact CD1-ND2 3.37Å; H234-N432 PolarHBondContact CD2-OD1 2.95Å; W418-N432 PolarHBondContact NE1-O 3.31Å; Q430-N432 PolarHBondContact O-N 3.17Å; N432-Y482 HydrophobicContact CB-CD1 4Å; N432-Y482 HydrophobicContact CB-CD2 4.5Å; N432-Y482 HydrophobicContact CB-CE1 3.68Å; N432-Y482 HydrophobicContact CB-CE2 4.23Å; N432-Y482 HydrophobicContact CB-CG 4.39Å; N432-Y482 VanDerWaalsContact CB-O 3.31Å; N432-Y482 WeakPolarHBondContact CB-O 2.99Å; N432-Y482 PolarHBondContact ND2-O 3.4Å
433P98.2Very high97.3Very high0 Ų020.6 Ų20.60%010%0.098CC..PPolyproline II helixtrans-52152.6178.8-29.736.4000113.8W370 P372 I414 W415 H483W370-P433 HydrophobicContact CH2-CB 4.17Å; W370-P433 HydrophobicContact CZ3-CB 3.8Å; W370-P433 HydrophobicContact CZ3-CG 4.27Å; P372-P433 HydrophobicContact CB-CG 3.93Å; P372-P433 HydrophobicContact CG-CG 4.36Å; I414-P433 HydrophobicContact CG2-CB 3.74Å; I414-P433 HydrophobicContact CG2-CG 4.47Å; W415-P433 HydrophobicContact CH2-CG 3.97Å; W415-P433 HydrophobicContact CZ2-CG 3.91Å; P433-H483 PolarHBondContact O-ND1 2.87Å
434P98.6Very high97.4Very high0 Ų019.3 Ų19.30%09%0.092CC..PPolyproline II helixtrans-57.6156.6170.1-20.833.9000111.6L417 W418 I421 F438 I439 E488L417-P434 HydrophobicContact CB-CG 3.95Å; W418-P434 HydrophobicContact CB-CG 4.13Å; I421-P434 HydrophobicContact CD1-CB 4.03Å; I421-P434 HydrophobicContact CD1-CG 3.85Å; P434-F438 HydrophobicContact CB-CB 4.27Å; P434-F438 HydrophobicContact CB-CD1 3.88Å; P434-F438 HydrophobicContact CB-CG 4.48Å; P434-F438 HydrophobicContact CG-CD1 4.48Å; P434-I439 HydrophobicContact CB-CG1 4.43Å; P434-E488 VanDerWaalsContact CA-OE1 3.25Å; P434-E488 WeakPolarHBondContact CA-OE1 3.12Å
435S98.7Very high97.5Very high9 Ų919.1 Ų19.16%0.0639%0.091CC..PPolyproline II helixtrans-63.2154.4177.473.10000112.3G437 F438 I439 L485 E488S435-G437 PolarHBondContact O-N 2.93Å; S435-G437 VanDerWaalsContact O-N 3.13Å; S435-G437 PolarHBondContact OG-N 3.26Å; S435-F438 PolarHBondContact O-N 2.97Å; S435-F438 VanDerWaalsContact O-N 3.08Å; S435-F438 PolarHBondContact OG-N 3.47Å; S435-I439 WeakPolarHBondContact O-CG1 3.36Å; S435-I439 PolarHBondContact O-N 3.07Å; S435-L485 WeakPolarHBondContact OG-CD1 3.05Å; S435-E488 VanDerWaalsContact CB-OE2 3.28Å; S435-E488 WeakPolarHBondContact CB-OE2 3.29Å; S435-E488 PolarHBondContact N-OE1 3.04Å; S435-E488 PolarHBondContact N-OE2 3.4Å; S435-E488 PolarHBondContact OG-OE2 3.11Å
436S98.6Very high97.6Very high13 Ų1319.1 Ų19.19%0.0919%0.092CC..Hα-helixtrans-50.5-37.4169.4-52.10000111.1F323 W370 I439 G440F323-S436 WeakPolarHBondContact CE1-O 3.37Å; W370-S436 WeakPolarHBondContact CZ2-OG 3.48Å; W370-S436 PolarHBondContact NE1-OG 3.28Å; S436-I439 PolarHBondContact O-N 3.39Å; S436-G440 PolarHBondContact O-N 3.39Å
437G98.6Very high97.8Very high7 Ų712 Ų127%0.0726%0.061CC..Hα-helixtrans-56.1-52.7176.600000112.7S435 G440 I441S435-G437 PolarHBondContact O-N 2.93Å; S435-G437 VanDerWaalsContact O-N 3.13Å; S435-G437 PolarHBondContact OG-N 3.26Å; G437-G440 PolarHBondContact O-N 3.49Å; G437-I441 VanDerWaalsContact O-CG1 3.29Å; G437-I441 WeakPolarHBondContact O-CG1 3.31Å; G437-I441 PolarHBondContact O-N 2.87Å
438F98.8Very high98Very high0 Ų09.6 Ų9.60%05%0.049CC..Hα-helixtrans-64-46.5178-167.8-107.8000111.6L417 I421 P434 S435 G440 I441 L442 E488 L491 V492L417-F438 HydrophobicContact CB-CD1 4.41Å; L417-F438 HydrophobicContact CB-CE1 4.11Å; L417-F438 HydrophobicContact CD1-CD1 4.29Å; L417-F438 HydrophobicContact CD1-CE1 4.44Å; L417-F438 HydrophobicContact CD2-CE1 4.25Å; I421-F438 HydrophobicContact CD1-CD1 3.94Å; I421-F438 HydrophobicContact CD1-CE1 3.7Å; I421-F438 HydrophobicContact CD1-CZ 4.21Å; I421-F438 HydrophobicContact CG1-CE1 3.92Å; I421-F438 HydrophobicContact CG1-CZ 4.02Å; P434-F438 HydrophobicContact CB-CB 4.27Å; P434-F438 HydrophobicContact CB-CD1 3.88Å; P434-F438 HydrophobicContact CB-CG 4.48Å; P434-F438 HydrophobicContact CG-CD1 4.48Å; S435-F438 PolarHBondContact O-N 2.97Å; S435-F438 VanDerWaalsContact O-N 3.08Å; S435-F438 PolarHBondContact OG-N 3.47Å; F438-G440 VanDerWaalsContact C-N 3.29Å; F438-G440 PolarHBondContact O-N 3.18Å; F438-I441 WeakPolarHBondContact O-CB 3.43Å; F438-I441 PolarHBondContact O-N 3.09Å; F438-I441 VanDerWaalsContact O-N 3.17Å; F438-L442 HydrophobicContact CD1-CD2 3.87Å; F438-L442 HydrophobicContact CD2-CD2 4.1Å; F438-L442 HydrophobicContact CE1-CD2 3.69Å; F438-L442 HydrophobicContact CE2-CD2 3.93Å; F438-L442 HydrophobicContact CG-CD2 4.08Å; F438-L442 HydrophobicContact CZ-CD2 3.72Å; F438-L442 WeakPolarHBondContact O-CD2 3.41Å; F438-L442 PolarHBondContact O-N 3.37Å; F438-L442 VanDerWaalsContact O-N 3.16Å; F438-E488 HydrophobicContact CB-CB 4.31Å; F438-E488 HydrophobicContact CB-CG 4.09Å; F438-E488 VanDerWaalsContact CB-OE2 3.3Å; F438-E488 WeakPolarHBondContact CB-OE2 3.5Å; F438-E488 HydrophobicContact CD1-CG 4.49Å; F438-E488 HydrophobicContact CD2-CB 3.81Å; F438-E488 HydrophobicContact CD2-CG 4.16Å; F438-E488 HydrophobicContact CE2-CB 4.37Å; F438-E488 HydrophobicContact CG-CB 4.15Å; F438-E488 HydrophobicContact CG-CG 4.01Å; F438-L491 HydrophobicContact CE2-CD2 4.11Å; F438-L491 HydrophobicContact CZ-CD1 4.46Å; F438-L491 HydrophobicContact CZ-CD2 4.05Å; F438-V492 HydrophobicContact CD2-CG2 3.97Å; F438-V492 HydrophobicContact CE2-CG2 3.94Å
439I98.8Very high98.1Very high0 Ų09.3 Ų9.30%05%0.045CC..Hα-helixtrans-55.3-46.2176.4-65.4170.2000110.9I343 W370 L409 F413 I414 L417 P434 S435 S436 I441 L442 I443I343-I439 HydrophobicContact CD1-CB 4.05Å; I343-I439 HydrophobicContact CD1-CG2 3.51Å; W370-I439 HydrophobicContact CD2-CD1 4.07Å; W370-I439 HydrophobicContact CE3-CD1 4.27Å; W370-I439 HydrophobicContact CZ2-CD1 4.39Å; W370-I439 HydrophobicContact CZ3-CD1 4.49Å; L409-I439 HydrophobicContact CD1-CG2 3.28Å; F413-I439 HydrophobicContact CE1-CG2 4.07Å; I414-I439 HydrophobicContact CG1-CD1 4.42Å; I414-I439 HydrophobicContact CG2-CD1 4.31Å; L417-I439 HydrophobicContact CD1-CG1 4.22Å; P434-I439 HydrophobicContact CB-CG1 4.43Å; S435-I439 WeakPolarHBondContact O-CG1 3.36Å; S435-I439 PolarHBondContact O-N 3.07Å; S436-I439 PolarHBondContact O-N 3.39Å; I439-I441 PolarHBondContact O-N 3.35Å; I439-L442 PolarHBondContact O-N 3.37Å; I439-I443 HydrophobicContact CG2-CD1 3.89Å; I439-I443 WeakPolarHBondContact O-CG1 3.49Å; I439-I443 PolarHBondContact O-N 3.03Å
440G98.7Very high98.1Very high0 Ų013.1 Ų13.10%06%0.063CC..Hα-helixtrans-62.6-40178.600000113.2S436 G437 F438 L442 I443 M444S436-G440 PolarHBondContact O-N 3.39Å; G437-G440 PolarHBondContact O-N 3.49Å; F438-G440 VanDerWaalsContact C-N 3.29Å; F438-G440 PolarHBondContact O-N 3.18Å; G440-L442 VanDerWaalsContact C-N 3.32Å; G440-L442 PolarHBondContact O-N 3.32Å; G440-I443 PolarHBondContact O-N 3.32Å; G440-M444 WeakPolarHBondContact O-CG 3.22Å; G440-M444 PolarHBondContact O-N 3.44Å
441I98.8Very high98.2Very high1 Ų113 Ų131%0.0056%0.062CC..Hα-helixtrans-56.6-48.4173.5-68.8166.7000110.3V298 M300 G437 F438 I439 I443 M444 M445 V453 Y456 V492 L511V298-I441 HydrophobicContact CG1-CG1 4.25Å; M300-I441 HydrophobicContact CE-CD1 4.17Å; M300-I441 HydrophobicContact CE-CG1 4.17Å; G437-I441 VanDerWaalsContact O-CG1 3.29Å; G437-I441 WeakPolarHBondContact O-CG1 3.31Å; G437-I441 PolarHBondContact O-N 2.87Å; F438-I441 WeakPolarHBondContact O-CB 3.43Å; F438-I441 PolarHBondContact O-N 3.09Å; F438-I441 VanDerWaalsContact O-N 3.17Å; I439-I441 PolarHBondContact O-N 3.35Å; I441-I443 PolarHBondContact O-N 3.07Å; I441-M444 PolarHBondContact O-N 2.88Å; I441-M445 HydrophobicContact CG2-CG 4.34Å; I441-M445 HydrophobicContact CG2-SD 3.83Å; I441-M445 VanDerWaalsContact O-CG 3.3Å; I441-M445 WeakPolarHBondContact O-CG 3.49Å; I441-M445 PolarHBondContact O-N 3.24Å; I441-V453 HydrophobicContact CD1-CG1 3.78Å; I441-V453 HydrophobicContact CD1-CG2 4.19Å; I441-V453 HydrophobicContact CG1-CG1 3.9Å; I441-V453 HydrophobicContact CG1-CG2 3.85Å; I441-V453 HydrophobicContact CG2-CG2 4.4Å; I441-Y456 HydrophobicContact CD1-CD1 4.01Å; I441-Y456 HydrophobicContact CD1-CD2 4.31Å; I441-Y456 HydrophobicContact CD1-CE1 4.1Å; I441-Y456 HydrophobicContact CD1-CE2 4.37Å; I441-Y456 HydrophobicContact CD1-CG 4.1Å; I441-V492 HydrophobicContact CD1-CG2 3.94Å; I441-L511 HydrophobicContact CG2-CD1 3.39Å
442L98.4Very high98.2Very high2 Ų213.7 Ų13.71%0.016%0.064CC..Hα-helixtrans-69.2-34.4-176.8-80.4-60.2000112.7L255 F413 L417 F438 I439 G440 M445 S446 F514L255-L442 HydrophobicContact CB-CD1 4.5Å; L255-L442 HydrophobicContact CD1-CD1 4.39Å; L255-L442 HydrophobicContact CD2-CD1 4.09Å; F413-L442 HydrophobicContact CZ-CB 4.19Å; L417-L442 HydrophobicContact CD1-CB 4.33Å; L417-L442 HydrophobicContact CD1-CG 4.22Å; L417-L442 HydrophobicContact CD2-CB 4.43Å; L417-L442 HydrophobicContact CD2-CD1 4.32Å; L417-L442 HydrophobicContact CD2-CD2 4.47Å; L417-L442 HydrophobicContact CD2-CG 3.73Å; F438-L442 HydrophobicContact CD1-CD2 3.87Å; F438-L442 HydrophobicContact CD2-CD2 4.1Å; F438-L442 HydrophobicContact CE1-CD2 3.69Å; F438-L442 HydrophobicContact CE2-CD2 3.93Å; F438-L442 HydrophobicContact CG-CD2 4.08Å; F438-L442 HydrophobicContact CZ-CD2 3.72Å; F438-L442 WeakPolarHBondContact O-CD2 3.41Å; F438-L442 PolarHBondContact O-N 3.37Å; F438-L442 VanDerWaalsContact O-N 3.16Å; I439-L442 PolarHBondContact O-N 3.37Å; G440-L442 VanDerWaalsContact C-N 3.32Å; G440-L442 PolarHBondContact O-N 3.32Å; L442-M445 HydrophobicContact CD1-SD 4.21Å; L442-S446 PolarHBondContact O-N 3.29Å; L442-F514 HydrophobicContact CD1-CE2 4.05Å; L442-F514 HydrophobicContact CD1-CZ 3.52Å
443I98.3Very high98.2Very high0 Ų013.6 Ų13.60%06%0.064CC..Hα-helixtrans-60.6-51.6170.9-69.4165.8000110.1V261 L285 I343 V368 L409 F413 I439 G440 I441 M445 S446 M447V261-I443 HydrophobicContact CG1-CG1 4.14Å; V261-I443 HydrophobicContact CG2-CG1 4.41Å; L285-I443 HydrophobicContact CD2-CD1 4.49Å; L285-I443 HydrophobicContact CD2-CG2 3.92Å; L285-I443 HydrophobicContact CG-CG2 4.47Å; I343-I443 HydrophobicContact CD1-CD1 4.16Å; V368-I443 HydrophobicContact CG1-CD1 4.12Å; L409-I443 HydrophobicContact CD1-CD1 4.22Å; L409-I443 HydrophobicContact CD2-CD1 4.12Å; F413-I443 HydrophobicContact CE1-CG1 4.41Å; I439-I443 HydrophobicContact CG2-CD1 3.89Å; I439-I443 WeakPolarHBondContact O-CG1 3.49Å; I439-I443 PolarHBondContact O-N 3.03Å; G440-I443 PolarHBondContact O-N 3.32Å; I441-I443 PolarHBondContact O-N 3.07Å; I443-M445 VanDerWaalsContact C-N 3.33Å; I443-M445 PolarHBondContact O-N 3.26Å; I443-S446 WeakPolarHBondContact O-CB 3.44Å; I443-S446 PolarHBondContact O-N 3.11Å; I443-S446 PolarHBondContact O-OG 3.28Å; I443-M447 HydrophobicContact CG2-SD 3.97Å; I443-M447 PolarHBondContact O-N 2.97Å
444M98.4Very high98.3Very high0 Ų013.6 Ų13.60%06%0.064CC..Hα-helixtrans-66.7-35-178.5-61.7-52.2-78.300112.3C296 V298 A319 L321 V341 G440 I441 S446 M447 C448 V451C296-M444 HydrophobicContact CB-CE 3.53Å; V298-M444 HydrophobicContact CG2-CB 3.93Å; V298-M444 HydrophobicContact CG2-CG 3.63Å; A319-M444 HydrophobicContact CB-CE 4.08Å; L321-M444 HydrophobicContact CB-CE 4.17Å; L321-M444 HydrophobicContact CB-CG 3.79Å; L321-M444 HydrophobicContact CB-SD 3.77Å; L321-M444 HydrophobicContact CD1-CG 3.72Å; L321-M444 HydrophobicContact CD1-SD 3.67Å; L321-M444 HydrophobicContact CG-CG 4.33Å; L321-M444 HydrophobicContact CG-SD 4.35Å; V341-M444 HydrophobicContact CG2-SD 4.23Å; G440-M444 WeakPolarHBondContact O-CG 3.22Å; G440-M444 PolarHBondContact O-N 3.44Å; I441-M444 PolarHBondContact O-N 2.88Å; M444-S446 PolarHBondContact O-N 3.44Å; M444-M447 PolarHBondContact O-N 2.55Å; M444-M447 VanDerWaalsContact O-N 3.11Å; M444-M447 HydrophobicContact SD-CE 4.42Å; M444-C448 VanDerWaalsContact O-CB 3.28Å; M444-C448 WeakPolarHBondContact O-CB 3.32Å; M444-C448 PolarHBondContact O-N 3.44Å; M444-C448 PolarHBondContact O-SG 3.36Å; M444-V451 HydrophobicContact CB-CG1 3.99Å; M444-V451 HydrophobicContact CB-CG2 4.05Å
445M97.9Very high98.3Very high0 Ų013.7 Ų13.70%06%0.064CC..Hα-helixtrans-61.5-26.3172.9-73175.175.100112.6L252 I441 L442 I443 V451 L511 P512 G513 F514L252-M445 HydrophobicContact CD2-CE 3.71Å; I441-M445 HydrophobicContact CG2-CG 4.34Å; I441-M445 HydrophobicContact CG2-SD 3.83Å; I441-M445 VanDerWaalsContact O-CG 3.3Å; I441-M445 WeakPolarHBondContact O-CG 3.49Å; I441-M445 PolarHBondContact O-N 3.24Å; L442-M445 HydrophobicContact CD1-SD 4.21Å; I443-M445 VanDerWaalsContact C-N 3.33Å; I443-M445 PolarHBondContact O-N 3.26Å; M445-V451 HydrophobicContact CB-CG2 4.49Å; M445-V451 HydrophobicContact CG-CB 4.45Å; M445-V451 HydrophobicContact CG-CG2 3.96Å; M445-L511 HydrophobicContact CE-CB 4.46Å; M445-L511 HydrophobicContact CG-CB 4.49Å; M445-L511 HydrophobicContact SD-CB 4.31Å; M445-L511 HydrophobicContact SD-CD1 4.1Å; M445-P512 WeakPolarHBondContact CE-O 3.42Å; M445-G513 CarbonylContact O-C 3.55Å; M445-G513 WeakPolarHBondContact O-CA 3.4Å; M445-F514 HydrophobicContact CB-CD2 3.97Å; M445-F514 HydrophobicContact CB-CE2 3.77Å; M445-F514 HydrophobicContact CB-CG 4.45Å; M445-F514 HydrophobicContact CB-CZ 4.11Å; M445-F514 HydrophobicContact CE-CD1 4.31Å; M445-F514 HydrophobicContact CE-CE1 3.75Å; M445-F514 HydrophobicContact CE-CZ 4.02Å; M445-F514 PolarHBondContact O-N 3.12Å; M445-F514 HydrophobicContact SD-CZ 4.4Å
446S96.4Very high98.2Very high15 Ų1513.6 Ų13.611%0.1056%0.063CC..Hα-helixtrans-77.8-23.1176.379.30000114.1L442 I443 M444L442-S446 PolarHBondContact O-N 3.29Å; I443-S446 WeakPolarHBondContact O-CB 3.44Å; I443-S446 PolarHBondContact O-N 3.11Å; I443-S446 PolarHBondContact O-OG 3.28Å; M444-S446 PolarHBondContact O-N 3.44Å
447M96.2Very high98.2Very high1 Ų113 Ų131%0.0056%0.058CC..Hα-helixtrans-109.2-16.1-172.3-70.1163.342.100113.6L285 G292 L293 V341 I443 M444L285-M447 HydrophobicContact CD1-SD 4.11Å; L285-M447 HydrophobicContact CG-SD 4.22Å; G292-M447 CarbonylContact C-O 3.58Å; G292-M447 WeakPolarHBondContact CA-O 3.45Å; L293-M447 PolarHBondContact N-O 3.11Å; V341-M447 HydrophobicContact CG2-CE 4.24Å; I443-M447 HydrophobicContact CG2-SD 3.97Å; I443-M447 PolarHBondContact O-N 2.97Å; M444-M447 PolarHBondContact O-N 2.55Å; M444-M447 VanDerWaalsContact O-N 3.11Å; M444-M447 HydrophobicContact SD-CE 4.42Å
448C97.4Very high98.1Very high0 Ų012.8 Ų12.80%06%0.056CC..EExtended strand (participates in β ladder)trans-125.4151.3-170.5-46.80000110.8L293 C296 M444 V451 G513L293-C448 HydrophobicContact CB-CB 4.37Å; L293-C448 CarbonylContact O-C 3.5Å; L293-C448 WeakPolarHBondContact O-CA 3.32Å; C296-C448 HydrophobicContact CB-CB 3.65Å; C296-C448 WeakPolarHBondContact CB-SG 3.38Å; C296-C448 WeakPolarHBondContact SG-CB 3.29Å; C296-C448 CovalentContact SG-SG 2.01Å; C296-C448 PolarHBondContact SG-SG 3.47Å; M444-C448 VanDerWaalsContact O-CB 3.28Å; M444-C448 WeakPolarHBondContact O-CB 3.32Å; M444-C448 PolarHBondContact O-N 3.44Å; M444-C448 PolarHBondContact O-SG 3.36Å; C448-V451 HydrophobicContact CB-CG2 4.03Å; C448-G513 WeakPolarHBondContact O-CA 3.43Å
449R97.3Very high98.1Very high132 Ų13212.8 Ų12.850%0.4986%0.056SC..EExtended strand (participates in β ladder)trans-77.9-30.4176.4-64.8-179.6-177.9-168-0.5112.6L293 G513 T516L293-R449 PolarHBondContact O-N 3.04Å; R449-G513 WeakPolarHBondContact O-CA 3.36Å; R449-G513 PolarHBondContact O-N 2.95Å; R449-T516 HydrophobicContact CB-CG2 3.84Å; R449-T516 HydrophobicContact CG-CG2 4.16Å
450E98.2Very high98Very high83 Ų8317 Ų1739%0.3888%0.081SC..EExtended strand (participates in β ladder)trans-141.6139.2175.9-171.1174.390.800109.9R294 S295 C296 H452 V510R294-E450 PolarHBondContact O-N 3.01Å; S295-E450 WeakPolarHBondContact CA-O 3.43Å; C296-E450 PolarHBondContact N-O 2.76Å; E450-H452 IonicContact OE1-CD2 3.75Å; E450-H452 IonicContact OE1-CE1 3.64Å; E450-H452 IonicContact OE1-NE2 2.74Å; E450-H452 PolarHBondContact OE1-NE2 3.09Å; E450-V510 HydrophobicContact CG-CG1 3.59Å
451V98.8Very high97.9Very high0 Ų020.2 Ų20.20%09%0.093CC..EExtended strand (participates in β ladder)trans-126.2120.7-178.4-175.20000109.8C296 V298 M444 M445 C448 V453 V510 L511C296-V451 CarbonylContact O-C 3.55Å; C296-V451 WeakPolarHBondContact O-CA 3.16Å; V298-V451 HydrophobicContact CG2-CG1 3.61Å; M444-V451 HydrophobicContact CB-CG1 3.99Å; M444-V451 HydrophobicContact CB-CG2 4.05Å; M445-V451 HydrophobicContact CB-CG2 4.49Å; M445-V451 HydrophobicContact CG-CB 4.45Å; M445-V451 HydrophobicContact CG-CG2 3.96Å; C448-V451 HydrophobicContact CB-CG2 4.03Å; V451-V453 HydrophobicContact CG1-CG2 4.01Å; V451-V510 WeakPolarHBondContact O-CA 3.36Å; V451-L511 HydrophobicContact CB-CB 4.43Å; V451-L511 PolarHBondContact N-O 3.21Å; V451-L511 PolarHBondContact O-N 2.95Å
452H98.9Very high97.7Very high22 Ų2221.7 Ų21.710%0.10210%0.1CC..EExtended strand (participates in β ladder)trans-97.5122.1173.5-69.5-140.9000107.9C296 A297 V298 H317 E450 Y454 K508 V509C296-H452 PolarHBondContact O-N 3.04Å; A297-H452 CarbonylContact C-O 3.5Å; A297-H452 VanDerWaalsContact CA-O 3.32Å; A297-H452 WeakPolarHBondContact CA-O 3.45Å; V298-H452 PolarHBondContact N-O 3.29Å; H317-H452 AromaticContact NE2-CD2 3.64Å; H317-H452 AromaticContact NE2-CE1 3.95Å; H317-H452 AromaticContact NE2-CG 3.32Å; H317-H452 VanDerWaalsContact NE2-CG 3.32Å; H317-H452 AromaticContact NE2-ND1 3.6Å; E450-H452 IonicContact OE1-CD2 3.75Å; E450-H452 IonicContact OE1-CE1 3.64Å; E450-H452 IonicContact OE1-NE2 2.74Å; E450-H452 PolarHBondContact OE1-NE2 3.09Å; H452-Y454 HydrophobicContact CB-CE2 3.66Å; H452-K508 HydrophobicContact CB-CD 4.32Å; H452-K508 HydrophobicContact CB-CG 4.5Å; H452-K508 PolarHBondContact ND1-NZ 3.18Å; H452-V509 WeakPolarHBondContact CA-O 3.39Å
453V98.9Very high97.6Very high0 Ų023.6 Ų23.60%011%0.112CC..EExtended strand (participates in β ladder)trans-113121.8-178.4-170.70000108.5V298 M300 I441 V451 Y456 K508 V509 L511V298-V453 HydrophobicContact CB-CB 4.42Å; V298-V453 HydrophobicContact CB-CG1 4.12Å; V298-V453 HydrophobicContact CB-CG2 4.24Å; V298-V453 HydrophobicContact CG1-CG1 4.31Å; V298-V453 HydrophobicContact CG2-CG2 4.46Å; V298-V453 WeakPolarHBondContact O-CA 3.42Å; M300-V453 HydrophobicContact CE-CG1 3.5Å; M300-V453 VanDerWaalsContact CE-CG1 3.5Å; I441-V453 HydrophobicContact CD1-CG1 3.78Å; I441-V453 HydrophobicContact CD1-CG2 4.19Å; I441-V453 HydrophobicContact CG1-CG1 3.9Å; I441-V453 HydrophobicContact CG1-CG2 3.85Å; I441-V453 HydrophobicContact CG2-CG2 4.4Å; V451-V453 HydrophobicContact CG1-CG2 4.01Å; V453-Y456 HydrophobicContact CG1-CG 4.25Å; V453-K508 WeakPolarHBondContact O-CA 3.21Å; V453-V509 HydrophobicContact CB-CG2 3.58Å; V453-V509 HydrophobicContact CG1-CG2 4.45Å; V453-V509 HydrophobicContact CG2-CG2 4.04Å; V453-V509 PolarHBondContact N-O 2.97Å; V453-V509 PolarHBondContact O-N 3.36Å; V453-L511 HydrophobicContact CG2-CD1 3.82Å; V453-L511 HydrophobicContact CG2-CG 4.41Å
454Y98.9Very high97.4Very high0 Ų025.8 Ų25.80%012%0.122CC..EExtended strand (participates in β ladder)trans-105.7129.2-172.4-64.2-87.4000111.5A297 V298 M300 L310 E313 I314 H317 H452 Y456 K508A297-Y454 HydrophobicContact CB-CD2 4.25Å; A297-Y454 HydrophobicContact CB-CE2 3.79Å; V298-Y454 PolarHBondContact O-N 3.34Å; M300-Y454 WeakPolarHBondContact CB-O 3.36Å; M300-Y454 WeakPolarHBondContact CG-O 3.43Å; M300-Y454 PolarHBondContact N-O 3.16Å; L310-Y454 HydrophobicContact CD1-CD1 3.94Å; L310-Y454 HydrophobicContact CD1-CE1 4.49Å; L310-Y454 HydrophobicContact CD2-CE1 4.36Å; E313-Y454 WeakPolarHBondContact OE1-CE1 3.4Å; E313-Y454 PolarHBondContact OE1-OH 3.17Å; I314-Y454 HydrophobicContact CG1-CD1 4.48Å; I314-Y454 HydrophobicContact CG1-CD2 4.01Å; I314-Y454 HydrophobicContact CG1-CE1 4.32Å; I314-Y454 HydrophobicContact CG1-CE2 3.88Å; I314-Y454 HydrophobicContact CG1-CG 4.31Å; H317-Y454 PolarHBondContact CE1-OH 3.15Å; H317-Y454 VanDerWaalsContact CE1-OH 3.23Å; H452-Y454 HydrophobicContact CB-CE2 3.66Å; Y454-Y456 PolarHBondContact O-N 2.85Å; Y454-Y456 VanDerWaalsContact O-N 3.08Å; Y454-K508 HydrophobicContact CD1-CB 4.19Å; Y454-K508 HydrophobicContact CD1-CD 4.21Å; Y454-K508 HydrophobicContact CD1-CG 4.15Å; Y454-K508 HydrophobicContact CE1-CB 4.24Å; Y454-K508 HydrophobicContact CE1-CD 3.45Å; Y454-K508 VanDerWaalsContact CE1-CD 3.45Å; Y454-K508 HydrophobicContact CE1-CG 3.88Å
455E98.6Very high97.3Very high3 Ų326.6 Ų26.61%0.01413%0.127CC..SBendtrans55.923.9176-62.6-68.2167.600114.3A302 S304 I305 S459 R461 G507A302-E455 HydrophobicContact CB-CB 4.28Å; S304-E455 VanDerWaalsContact CB-OE2 3.32Å; S304-E455 WeakPolarHBondContact CB-OE2 3.48Å; S304-E455 PolarHBondContact OG-OE2 3.09Å; I305-E455 HydrophobicContact CB-CB 4.41Å; I305-E455 HydrophobicContact CB-CG 3.9Å; I305-E455 HydrophobicContact CD1-CG 4.5Å; I305-E455 HydrophobicContact CG1-CG 4.09Å; E455-S459 VanDerWaalsContact OE1-CB 3.24Å; E455-S459 WeakPolarHBondContact OE1-CB 3.31Å; E455-S459 PolarHBondContact OE1-OG 3.45Å; E455-S459 PolarHBondContact OE2-N 3.47Å; E455-S459 VanDerWaalsContact OE2-N 3.12Å; E455-S459 PolarHBondContact OE2-OG 2.76Å; E455-R461 IonicContact OE1-CZ 2.88Å; E455-R461 IonicContact OE1-NE 2.67Å; E455-R461 IonicContact OE1-NH2 3.63Å; E455-R461 PolarHBondContact OE1-NH2 2.94Å; E455-G507 PolarHBondContact N-O 3.15Å
456Y98.4Very high97.1Very high6 Ų626.8 Ų26.82%0.02413%0.128CC..SBendtrans-76-51.2166.3-170.2-105.4000110.9M300 I441 V453 Y454 L485 E488 K489 V492M300-Y456 HydrophobicContact CE-CD2 3.5Å; M300-Y456 VanDerWaalsContact CE-CD2 3.5Å; M300-Y456 HydrophobicContact CE-CE2 4.3Å; M300-Y456 HydrophobicContact CE-CG 3.99Å; M300-Y456 HydrophobicContact CG-CD2 3.87Å; M300-Y456 HydrophobicContact CG-CG 4.29Å; M300-Y456 HydrophobicContact SD-CD2 3.55Å; M300-Y456 VanDerWaalsContact SD-CD2 3.55Å; M300-Y456 HydrophobicContact SD-CE2 4.33Å; M300-Y456 HydrophobicContact SD-CG 4.4Å; I441-Y456 HydrophobicContact CD1-CD1 4.01Å; I441-Y456 HydrophobicContact CD1-CD2 4.31Å; I441-Y456 HydrophobicContact CD1-CE1 4.1Å; I441-Y456 HydrophobicContact CD1-CE2 4.37Å; I441-Y456 HydrophobicContact CD1-CG 4.1Å; V453-Y456 HydrophobicContact CG1-CG 4.25Å; Y454-Y456 PolarHBondContact O-N 2.85Å; Y454-Y456 VanDerWaalsContact O-N 3.08Å; Y456-L485 HydrophobicContact CE2-CD1 4.03Å; Y456-E488 WeakPolarHBondContact OH-CB 3.41Å; Y456-E488 PolarHBondContact OH-OE2 3.02Å; Y456-K489 HydrophobicContact CD1-CG 4.06Å; Y456-K489 HydrophobicContact CE1-CB 4.48Å; Y456-K489 HydrophobicContact CE1-CG 3.74Å; Y456-K489 WeakPolarHBondContact O-CD 3.1Å; Y456-K489 WeakPolarHBondContact O-CE 3.45Å; Y456-K489 PolarHBondContact O-NZ 2.98Å; Y456-V492 HydrophobicContact CD1-CB 4.19Å; Y456-V492 HydrophobicContact CD1-CG1 4.07Å; Y456-V492 HydrophobicContact CD1-CG2 4.1Å; Y456-V492 HydrophobicContact CE1-CB 4.07Å; Y456-V492 HydrophobicContact CE1-CG1 4.43Å; Y456-V492 HydrophobicContact CE1-CG2 3.66Å
457I98.2Very high97.2Very high1 Ų128.8 Ų28.81%0.00514%0.135CC..SBendtrans-92.5119.7162.3-55-179.9000106.1L207 K489 V492 Q493 L503 G507 V509L207-I457 HydrophobicContact CD2-CG2 4.31Å; L207-I457 HydrophobicContact CG-CG2 4.27Å; I457-K489 HydrophobicContact CG1-CB 4.32Å; I457-K489 HydrophobicContact CG1-CG 4.42Å; I457-V492 HydrophobicContact CD1-CG1 4.31Å; I457-Q493 HydrophobicContact CD1-CB 3.66Å; I457-Q493 HydrophobicContact CD1-CG 4.3Å; I457-L503 HydrophobicContact CB-CD1 3.7Å; I457-L503 HydrophobicContact CG2-CD1 3.71Å; I457-G507 WeakPolarHBondContact O-CA 3.33Å; I457-V509 HydrophobicContact CD1-CG1 3.94Å; I457-V509 HydrophobicContact CG1-CG1 4.47Å
458P96.8Very high97.3Very high2 Ų229 Ų291%0.01314%0.136CC..  trans-64.4143.4-169.325.6-34.1000111.5M199 L204 L207 W208 Q462 T478M199-P458 HydrophobicContact CE-CG 4.13Å; L204-P458 HydrophobicContact CD1-CB 4.37Å; L204-P458 HydrophobicContact CD1-CG 3.78Å; L207-P458 HydrophobicContact CD2-CG 3.95Å; W208-P458 PolarHBondContact NE1-O 3.26Å; P458-Q462 HydrophobicContact CB-CB 3.93Å; P458-T478 HydrophobicContact CB-CG2 4.33Å; P458-T478 HydrophobicContact CG-CG2 4Å
459S97.8Very high97.3Very high0 Ų030.9 Ų30.90%015%0.145CC..  trans-76.1-173.1170.568.70000112.1E455 R461 Q462 Q504 G507E455-S459 VanDerWaalsContact OE1-CB 3.24Å; E455-S459 WeakPolarHBondContact OE1-CB 3.31Å; E455-S459 PolarHBondContact OE1-OG 3.45Å; E455-S459 PolarHBondContact OE2-N 3.47Å; E455-S459 VanDerWaalsContact OE2-N 3.12Å; E455-S459 PolarHBondContact OE2-OG 2.76Å; S459-R461 PolarHBondContact O-N 3.5Å; S459-R461 VanDerWaalsContact O-N 3.13Å; S459-R461 WeakPolarHBondContact OG-CB 3.31Å; S459-R461 PolarHBondContact OG-N 2.98Å; S459-R461 VanDerWaalsContact OG-N 3.1Å; S459-R461 PolarHBondContact OG-NH2 3.1Å; S459-Q462 PolarHBondContact O-N 3.38Å; S459-Q504 WeakPolarHBondContact CA-O 3.48Å; S459-Q504 WeakPolarHBondContact CB-O 3.2Å; S459-G507 VanDerWaalsContact CB-N 3.33Å
460V96.9Very high97.1Very high88 Ų8828.1 Ų28.153%0.53314%0.138SC..THydrogen-bonded Turntrans-57-19.1167-68.40000113.2W208 Q462 Q504W208-V460 HydrophobicContact CH2-CG1 3.71Å; W208-V460 HydrophobicContact CZ2-CG1 4.32Å; V460-Q462 PolarHBondContact O-N 3.22Å; V460-Q504 PolarHBondContact N-O 3Å
461R96.6Very high96.9Very high68 Ų6831.9 Ų31.926%0.25716%0.159SC..THydrogen-bonded Turntrans-80.916.5173.9-62.4178.4-68.2-75.2-8.2113.3S304 L306 E455 S459 T463 R505S304-R461 WeakPolarHBondContact CA-O 3.39Å; S304-R461 WeakPolarHBondContact CB-O 3.47Å; S304-R461 WeakPolarHBondContact O-CB 3.43Å; S304-R461 PolarHBondContact O-NE 3.38Å; L306-R461 WeakPolarHBondContact O-CD 3.16Å; E455-R461 IonicContact OE1-CZ 2.88Å; E455-R461 IonicContact OE1-NE 2.67Å; E455-R461 IonicContact OE1-NH2 3.63Å; E455-R461 PolarHBondContact OE1-NH2 2.94Å; S459-R461 PolarHBondContact O-N 3.5Å; S459-R461 VanDerWaalsContact O-N 3.13Å; S459-R461 WeakPolarHBondContact OG-CB 3.31Å; S459-R461 PolarHBondContact OG-N 2.98Å; S459-R461 VanDerWaalsContact OG-N 3.1Å; S459-R461 PolarHBondContact OG-NH2 3.1Å; R461-T463 PolarHBondContact O-N 2.86Å; R461-R505 VanDerWaalsContact CZ-O 3.3Å; R461-R505 PolarHBondContact NH1-O 3.32Å; R461-R505 PolarHBondContact NH2-O 3.37Å
462Q95.1Very high96.7Very high32 Ų3237.3 Ų37.315%0.1518%0.181CC..  trans-47.7137.8175.97278.127.400110.8S198 M199 L204 P458 S459 V460S198-Q462 VanDerWaalsContact CB-NE2 3.33Å; S198-Q462 PolarHBondContact OG-NE2 3Å; S198-Q462 VanDerWaalsContact OG-NE2 3.17Å; M199-Q462 HydrophobicContact CB-CG 4.41Å; M199-Q462 VanDerWaalsContact CB-OE1 3.27Å; M199-Q462 VanDerWaalsContact N-OE1 3.12Å; M199-Q462 PolarHBondContact O-NE2 3.39Å; L204-Q462 HydrophobicContact CD2-CG 4.02Å; P458-Q462 HydrophobicContact CB-CB 3.93Å; S459-Q462 PolarHBondContact O-N 3.38Å; V460-Q462 PolarHBondContact O-N 3.22Å
463T95Very high96.5Very high43 Ų4342.8 Ų42.826%0.26420%0.201SC..  trans-149.5158.8-176.41780000108.8R461 L465R461-T463 PolarHBondContact O-N 2.86Å; T463-L465 VanDerWaalsContact C-N 3.26Å; T463-L465 HydrophobicContact CG2-CB 3.76Å; T463-L465 WeakPolarHBondContact OG1-CB 3.36Å; T463-L465 PolarHBondContact OG1-N 3.4Å; T463-L465 VanDerWaalsContact OG1-N 3.11Å
464E93.8Very high96.3Very high46 Ų4643.7 Ų43.722%0.21521%0.206CC..SBendtrans-80.5-11.2169.4-60.3-158.9140.200112.2C466 Y473 D474 A475E464-C466 PolarHBondContact O-N 2.88Å; E464-Y473 HydrophobicContact CB-CD1 4.39Å; E464-Y473 CarbonylContact O-C 3.57Å; E464-Y473 VanDerWaalsContact O-CA 3.26Å; E464-Y473 WeakPolarHBondContact O-CA 3.28Å; E464-D474 CarbonylContact O-C 3.5Å; E464-D474 PolarHBondContact O-N 2.9Å; E464-A475 HydrophobicContact CG-CB 4.42Å
465L96.3Very high96.1Very high17 Ų1744.2 Ų44.29%0.08921%0.211CC..BIsolated β-bridgetrans-56.2110.2172.2-175.468.1000109.2G303 L306 T463 H467 E470 Y473G303-L465 WeakPolarHBondContact CA-O 3.3Å; G303-L465 PolarHBondContact N-O 2.94Å; L306-L465 HydrophobicContact CD1-CD2 3.64Å; T463-L465 VanDerWaalsContact C-N 3.26Å; T463-L465 HydrophobicContact CG2-CB 3.76Å; T463-L465 WeakPolarHBondContact OG1-CB 3.36Å; T463-L465 PolarHBondContact OG1-N 3.4Å; T463-L465 VanDerWaalsContact OG1-N 3.11Å; L465-H467 WeakPolarHBondContact CG-O 3.39Å; L465-E470 VanDerWaalsContact CD1-O 3.25Å; L465-E470 WeakPolarHBondContact CD1-O 3.32Å; L465-Y473 HydrophobicContact CB-CD1 4.1Å; L465-Y473 HydrophobicContact CB-CE1 3.89Å; L465-Y473 HydrophobicContact CD1-CD1 4.31Å; L465-Y473 HydrophobicContact CD1-CD2 4.45Å; L465-Y473 HydrophobicContact CD1-CE1 3.88Å; L465-Y473 HydrophobicContact CD1-CE2 4.03Å; L465-Y473 HydrophobicContact CG-CE1 4.5Å
466C95.8Very high95.9Very high4 Ų444.8 Ų44.83%0.02722%0.216CC..  trans-64.5-52.1-170.11780000110.4G303 E464 Y472 C477G303-C466 PolarHBondContact N-O 3.29Å; E464-C466 PolarHBondContact O-N 2.88Å; C466-Y472 HydrophobicContact CB-CD1 3.51Å; C466-Y472 HydrophobicContact CB-CE1 4.09Å; C466-Y472 HydrophobicContact CB-CG 4.42Å; C466-Y472 VanDerWaalsContact CB-O 3.28Å; C466-Y472 WeakPolarHBondContact CB-O 3.48Å; C466-Y472 PolarHBondContact N-O 2.8Å; C466-C477 HydrophobicContact CB-CB 3.71Å; C466-C477 WeakPolarHBondContact CB-SG 3.49Å; C466-C477 WeakPolarHBondContact SG-CB 3.28Å; C466-C477 CovalentContact SG-SG 2.02Å; C466-C477 PolarHBondContact SG-SG 3.06Å
467H97.6Very high95.8Very high56 Ų5646.7 Ų46.726%0.25923%0.23SC..BIsolated β-bridgetrans-126.9144.3179.6-56.4129.9000112.4S301 L465 H469 E470S301-H467 CarbonylContact O-C 3.55Å; S301-H467 WeakPolarHBondContact O-CA 3.35Å; L465-H467 WeakPolarHBondContact CG-O 3.39Å; H467-H469 PolarHBondContact O-N 3.1Å; H467-H469 VanDerWaalsContact O-N 3.12Å; H467-E470 HydrophobicContact CB-CB 4.21Å; H467-E470 HydrophobicContact CB-CG 4.19Å; H467-E470 IonicContact CE1-OE2 3.67Å; H467-E470 IonicContact CG-OE2 3.75Å; H467-E470 IonicContact ND1-OE1 2.88Å; H467-E470 IonicContact ND1-OE2 3.65Å; H467-E470 PolarHBondContact ND1-OE2 2.67Å; H467-E470 PolarHBondContact O-N 3.29Å
468Y98.2Very high95.6Very high7 Ų747.2 Ų47.23%0.02723%0.233CC..THydrogen-bonded Turntrans-64.9-16.4-18066.8-106.7000114.2S301 I305 A326 P327 Y331 V335S301-Y468 VanDerWaalsContact O-CD1 3.25Å; S301-Y468 WeakPolarHBondContact O-CD1 3.14Å; S301-Y468 PolarHBondContact O-N 3.04Å; I305-Y468 HydrophobicContact CG2-CD1 3.65Å; I305-Y468 HydrophobicContact CG2-CG 3.9Å; A326-Y468 HydrophobicContact CB-CE1 4.26Å; A326-Y468 WeakPolarHBondContact CB-OH 3.36Å; P327-Y468 HydrophobicContact CG-CE2 4.3Å; P327-Y468 VanDerWaalsContact O-CE2 3.3Å; P327-Y468 WeakPolarHBondContact O-CE2 3.36Å; P327-Y468 PolarHBondContact O-OH 3.31Å; Y331-Y468 AromaticContact CD1-CD2 3.73Å; Y331-Y468 HydrophobicContact CD1-CD2 3.73Å; Y331-Y468 HydrophobicContact CD1-CE2 4.3Å; Y331-Y468 HydrophobicContact CD2-CD2 4.05Å; Y331-Y468 AromaticContact CD2-CE2 3.88Å; Y331-Y468 HydrophobicContact CD2-CE2 3.88Å; Y331-Y468 AromaticContact CE1-CD2 3.97Å; Y331-Y468 HydrophobicContact CE1-CD2 3.97Å; Y331-Y468 WeakPolarHBondContact CE1-O 3.41Å; Y331-Y468 HydrophobicContact CE2-CD2 4.28Å; Y331-Y468 HydrophobicContact CE2-CE2 4.35Å; Y331-Y468 AromaticContact CG-CD2 3.77Å; Y331-Y468 HydrophobicContact CG-CD2 3.77Å; Y331-Y468 AromaticContact CG-CE2 3.85Å; Y331-Y468 HydrophobicContact CG-CE2 3.85Å; Y331-Y468 PolarHBondContact OH-O 3.13Å; V335-Y468 HydrophobicContact CG1-CD1 4.29Å; V335-Y468 HydrophobicContact CG1-CD2 4.44Å; V335-Y468 HydrophobicContact CG1-CE1 4.1Å; V335-Y468 HydrophobicContact CG1-CE2 4.26Å; V335-Y468 HydrophobicContact CG1-CG 4.47Å
469H96.8Very high95.6Very high39 Ų3947.6 Ų47.618%0.18124%0.235CC..THydrogen-bonded Turntrans-112.610.3-174.556.6-82.8000113.4P327 Y331 H467P327-H469 HydrophobicContact CG-CB 3.68Å; Y331-H469 HydrophobicContact CE2-CB 4.02Å; Y331-H469 WeakPolarHBondContact OH-CA 3.48Å; H467-H469 PolarHBondContact O-N 3.1Å; H467-H469 VanDerWaalsContact O-N 3.12Å
470E94.2Very high95.4Very high73 Ų7347.8 Ų47.834%0.34124%0.237SC..SBendtrans-134156.6-179.8-63.2174.5176.400109.5L465 H467 Y472L465-E470 VanDerWaalsContact CD1-O 3.25Å; L465-E470 WeakPolarHBondContact CD1-O 3.32Å; H467-E470 HydrophobicContact CB-CB 4.21Å; H467-E470 HydrophobicContact CB-CG 4.19Å; H467-E470 IonicContact CE1-OE2 3.67Å; H467-E470 IonicContact CG-OE2 3.75Å; H467-E470 IonicContact ND1-OE1 2.88Å; H467-E470 IonicContact ND1-OE2 3.65Å; H467-E470 PolarHBondContact ND1-OE2 2.67Å; H467-E470 PolarHBondContact O-N 3.29Å; E470-Y472 VanDerWaalsContact C-N 3.3Å; E470-Y472 PolarHBondContact O-N 3.24Å
471L94.1Very high95.3Very high162 Ų16244.6 Ų44.685%0.84822%0.219SC*.  trans-99.345173-63.2176.8000110.9
472Y94.4Very high95.3Very high114 Ų11443.8 Ų43.845%0.44722%0.217SC..  trans-112.1128.4-179.7176.9-114.9000110.5C466 E470 D474C466-Y472 HydrophobicContact CB-CD1 3.51Å; C466-Y472 HydrophobicContact CB-CE1 4.09Å; C466-Y472 HydrophobicContact CB-CG 4.42Å; C466-Y472 VanDerWaalsContact CB-O 3.28Å; C466-Y472 WeakPolarHBondContact CB-O 3.48Å; C466-Y472 PolarHBondContact N-O 2.8Å; E470-Y472 VanDerWaalsContact C-N 3.3Å; E470-Y472 PolarHBondContact O-N 3.24Å; Y472-D474 HydrophobicContact CE1-CB 3.67Å; Y472-D474 PolarHBondContact OH-OD2 3.4Å
473Y95.1Very high95.5Very high137 Ų13744.7 Ų44.754%0.53722%0.221SC..BIsolated β-bridgetrans-114.9114.5-176-64.6-99.7000110E464 L465E464-Y473 HydrophobicContact CB-CD1 4.39Å; E464-Y473 CarbonylContact O-C 3.57Å; E464-Y473 VanDerWaalsContact O-CA 3.26Å; E464-Y473 WeakPolarHBondContact O-CA 3.28Å; L465-Y473 HydrophobicContact CB-CD1 4.1Å; L465-Y473 HydrophobicContact CB-CE1 3.89Å; L465-Y473 HydrophobicContact CD1-CD1 4.31Å; L465-Y473 HydrophobicContact CD1-CD2 4.45Å; L465-Y473 HydrophobicContact CD1-CE1 3.88Å; L465-Y473 HydrophobicContact CD1-CE2 4.03Å; L465-Y473 HydrophobicContact CG-CE1 4.5Å
474D94.3Very high95.6Very high19 Ų1942.6 Ų42.610%0.10221%0.208CC..  trans-155.9117.1173.1-162.8-33.3000111.4R220 E464 Y472 A476 C477R220-D474 IonicContact CZ-OD1 3.62Å; R220-D474 IonicContact CZ-OD2 3.43Å; R220-D474 IonicContact NH1-OD1 3.27Å; R220-D474 PolarHBondContact NH1-OD1 3.23Å; R220-D474 IonicContact NH1-OD2 3.33Å; R220-D474 PolarHBondContact NH1-OD2 2.75Å; R220-D474 IonicContact NH2-OD1 2.6Å; R220-D474 PolarHBondContact NH2-OD1 3.32Å; R220-D474 IonicContact NH2-OD2 2.64Å; E464-D474 CarbonylContact O-C 3.5Å; E464-D474 PolarHBondContact O-N 2.9Å; Y472-D474 HydrophobicContact CE1-CB 3.67Å; Y472-D474 PolarHBondContact OH-OD2 3.4Å; D474-A476 PolarHBondContact O-N 2.92Å; D474-A476 WeakPolarHBondContact OD1-CA 3.43Å; D474-A476 WeakPolarHBondContact OD1-CB 3.49Å; D474-A476 PolarHBondContact OD1-N 3.37Å; D474-C477 WeakPolarHBondContact O-CB 3.42Å; D474-C477 PolarHBondContact O-N 3.3Å
475A93.4Very high95.8Very high11 Ų1141.2 Ų41.29%0.09120%0.202CC..THydrogen-bonded Turntrans-55.9-21.6172.600000114.1L221 E464 C477 T478 L479L221-A475 HydrophobicContact CD1-CB 4.42Å; E464-A475 HydrophobicContact CG-CB 4.42Å; A475-C477 PolarHBondContact O-N 3.48Å; A475-T478 PolarHBondContact O-N 3.16Å; A475-T478 VanDerWaalsContact O-N 3.1Å; A475-L479 WeakPolarHBondContact O-CB 3.4Å; A475-L479 PolarHBondContact O-N 3.36Å
476A95Very high95.9Very high16 Ų1640.5 Ų40.513%0.13220%0.199CC..Hα-helixtrans-59.3-31.7173.800000112.6L221 D474 T478 G480 A481L221-A476 HydrophobicContact CD2-CB 3.71Å; D474-A476 PolarHBondContact O-N 2.92Å; D474-A476 WeakPolarHBondContact OD1-CA 3.43Å; D474-A476 WeakPolarHBondContact OD1-CB 3.49Å; D474-A476 PolarHBondContact OD1-N 3.37Å; A476-T478 PolarHBondContact O-N 3.25Å; A476-G480 CarbonylContact O-C 3.47Å; A476-G480 WeakPolarHBondContact O-CA 3.41Å; A476-G480 PolarHBondContact O-N 3.12Å; A476-A481 HydrophobicContact CB-CB 3.71Å
477C95.8Very high96Very high46 Ų4640.5 Ų40.531%0.31120%0.198SC..Hα-helixtrans-66.1-28.9176.7-58.60000112.1C466 D474 A475 L485C466-C477 HydrophobicContact CB-CB 3.71Å; C466-C477 WeakPolarHBondContact CB-SG 3.49Å; C466-C477 WeakPolarHBondContact SG-CB 3.28Å; C466-C477 CovalentContact SG-SG 2.02Å; C466-C477 PolarHBondContact SG-SG 3.06Å; D474-C477 WeakPolarHBondContact O-CB 3.42Å; D474-C477 PolarHBondContact O-N 3.3Å; A475-C477 PolarHBondContact O-N 3.48Å; C477-L485 WeakPolarHBondContact O-CD2 3.31Å
478T95.7Very high96Very high11 Ų1137.8 Ų37.87%0.06719%0.185CC..Hα-helixtrans-95.8-35.5179.8-60.20000112.5M199 P458 A475 A476 K489M199-T478 HydrophobicContact CE-CG2 3.72Å; P458-T478 HydrophobicContact CB-CG2 4.33Å; P458-T478 HydrophobicContact CG-CG2 4Å; A475-T478 PolarHBondContact O-N 3.16Å; A475-T478 VanDerWaalsContact O-N 3.1Å; A476-T478 PolarHBondContact O-N 3.25Å; T478-K489 WeakPolarHBondContact O-CE 3.41Å; T478-K489 PolarHBondContact O-NZ 3Å
479L95.4Very high96Very high11 Ų1137.8 Ų37.86%0.05819%0.186CC..Hα-helixtrans-107.9-13-172.5-68.1178.6000114.2M199 F203 L217 L221 A475 L486M199-L479 HydrophobicContact CE-CD1 4.1Å; M199-L479 HydrophobicContact CE-CD2 3.42Å; M199-L479 VanDerWaalsContact CE-CD2 3.42Å; M199-L479 HydrophobicContact CE-CG 3.8Å; M199-L479 HydrophobicContact SD-CD2 4.38Å; F203-L479 HydrophobicContact CE1-CD1 4.48Å; F203-L479 HydrophobicContact CE1-CD2 3.58Å; F203-L479 HydrophobicContact CZ-CD1 4.48Å; F203-L479 HydrophobicContact CZ-CD2 3.92Å; L217-L479 HydrophobicContact CD2-CB 4.01Å; L217-L479 HydrophobicContact CD2-CD1 4.02Å; L217-L479 HydrophobicContact CD2-CG 4.42Å; L221-L479 HydrophobicContact CD1-CB 3.83Å; L221-L479 HydrophobicContact CD1-CD1 4.06Å; A475-L479 WeakPolarHBondContact O-CB 3.4Å; A475-L479 PolarHBondContact O-N 3.36Å; L479-L486 PolarHBondContact O-N 3.25Å
480G94.6Very high96Very high3 Ų337 Ų373%0.03118%0.183CC..  trans92.3135.9-179.300000113.1A476A476-G480 CarbonylContact O-C 3.47Å; A476-G480 WeakPolarHBondContact O-CA 3.41Å; A476-G480 PolarHBondContact O-N 3.12Å
481A94.1Very high96.2Very high21 Ų2133.8 Ų33.817%0.17417%0.167CC..SBendtrans-123.4-68.7162.100000109.4L221 A224 Y228 Q430 A476L221-A481 HydrophobicContact CD2-CB 4.36Å; A224-A481 HydrophobicContact CB-CB 4.29Å; Y228-A481 WeakPolarHBondContact CD2-O 3.18Å; Y228-A481 HydrophobicContact CE2-CB 4.42Å; Q430-A481 WeakPolarHBondContact CG-O 3.27Å; Q430-A481 PolarHBondContact NE2-O 2.84Å; A476-A481 HydrophobicContact CB-CB 3.71Å
482Y97.2Very high96.4Very high51 Ų5126.1 Ų26.120%0.213%0.127CC..SBendtrans-69.2-56.5176.9178.4-89.8000112.1Y228 H234 Q430 N432Y228-Y482 HydrophobicContact CD1-CD2 4.28Å; Y228-Y482 AromaticContact CE1-CD2 3.62Å; Y228-Y482 HydrophobicContact CE1-CD2 3.62Å; Y228-Y482 HydrophobicContact CE1-CE2 4.37Å; Y228-Y482 HydrophobicContact CE1-CG 4.5Å; Y228-Y482 AromaticContact CZ-CD2 3.85Å; H234-Y482 PolarHBondContact NE2-OH 3.17Å; Q430-Y482 WeakPolarHBondContact CB-O 3.35Å; N432-Y482 HydrophobicContact CB-CD1 4Å; N432-Y482 HydrophobicContact CB-CD2 4.5Å; N432-Y482 HydrophobicContact CB-CE1 3.68Å; N432-Y482 HydrophobicContact CB-CE2 4.23Å; N432-Y482 HydrophobicContact CB-CG 4.39Å; N432-Y482 VanDerWaalsContact CB-O 3.31Å; N432-Y482 WeakPolarHBondContact CB-O 2.99Å; N432-Y482 PolarHBondContact ND2-O 3.4Å
483H98.1Very high96.5Very high51 Ų5122.9 Ų22.924%0.23612%0.116CC..SBendtrans-76.8153179.2-59.7-67.1000111.5W370 P433 L485W370-H483 AromaticContact CH2-CE1 3.97Å; P433-H483 PolarHBondContact O-ND1 2.87Å; H483-L485 HydrophobicContact CB-CB 4.49Å; H483-L485 PolarHBondContact O-N 3.35Å
484P98.1Very high96.6Very high0 Ų019.6 Ų19.60%010%0.103CC..  trans-73.642.5171.933.9-36.4000113I429 L486 Y487 E488I429-P484 HydrophobicContact CB-CB 3.94Å; I429-P484 HydrophobicContact CD1-CB 3.96Å; I429-P484 HydrophobicContact CD1-CG 4.24Å; I429-P484 HydrophobicContact CG1-CB 4.17Å; P484-L486 VanDerWaalsContact C-N 3.33Å; P484-L486 PolarHBondContact O-N 3.33Å; P484-Y487 HydrophobicContact CB-CD2 4.14Å; P484-Y487 WeakPolarHBondContact O-CB 3.46Å; P484-Y487 PolarHBondContact O-N 2.59Å; P484-E488 WeakPolarHBondContact CD-OE1 3.5Å; P484-E488 HydrophobicContact CG-CG 4.44Å; P484-E488 WeakPolarHBondContact O-CG 3.24Å; P484-E488 PolarHBondContact O-N 3.36Å
485L98Very high96.7Very high16 Ų1618.7 Ų18.78%0.08410%0.098CC..Hα-helixtrans-59.6-37.4-166.6-16664.5000113.4S435 Y456 C477 H483 Y487 E488 K489S435-L485 WeakPolarHBondContact OG-CD1 3.05Å; Y456-L485 HydrophobicContact CE2-CD1 4.03Å; C477-L485 WeakPolarHBondContact O-CD2 3.31Å; H483-L485 HydrophobicContact CB-CB 4.49Å; H483-L485 PolarHBondContact O-N 3.35Å; L485-Y487 VanDerWaalsContact C-N 3.27Å; L485-Y487 PolarHBondContact O-N 3.39Å; L485-E488 WeakPolarHBondContact CD1-OE2 3.46Å; L485-E488 PolarHBondContact O-N 2.96Å; L485-K489 WeakPolarHBondContact O-CG 3.32Å; L485-K489 PolarHBondContact O-N 2.9Å
486L97.7Very high96.9Very high3 Ų319.5 Ų19.52%0.01610%0.101CC..Hα-helixtrans-54.6-45.8173.6-178.265.6000111.5F203 L207 V212 L217 L479 P484 K489 L490F203-L486 HydrophobicContact CZ-CD1 4.18Å; L207-L486 HydrophobicContact CD1-CD1 4.46Å; V212-L486 HydrophobicContact CB-CD1 4.38Å; V212-L486 HydrophobicContact CG2-CD1 3.65Å; V212-L486 HydrophobicContact CG2-CG 4.38Å; L217-L486 HydrophobicContact CD1-CD2 4.18Å; L217-L486 HydrophobicContact CD2-CD2 4.22Å; L217-L486 HydrophobicContact CG-CD2 4.25Å; L479-L486 PolarHBondContact O-N 3.25Å; P484-L486 VanDerWaalsContact C-N 3.33Å; P484-L486 PolarHBondContact O-N 3.33Å; L486-K489 PolarHBondContact O-N 3.39Å; L486-L490 WeakPolarHBondContact O-CG 3.37Å; L486-L490 PolarHBondContact O-N 3.39Å; L486-L490 VanDerWaalsContact O-N 3.11Å
487Y97.8Very high97Very high3 Ų321.9 Ų21.91%0.01211%0.114CC..Hα-helixtrans-78.1-33.5-175.6-55.2-70000112S214 M225 T425 E427 I429 P484 L485 K489 L490 L491S214-Y487 WeakPolarHBondContact CB-OH 3.31Å; M225-Y487 HydrophobicContact CE-CE2 3.89Å; M225-Y487 WeakPolarHBondContact CE-OH 3.32Å; T425-Y487 HydrophobicContact CG2-CD1 3.3Å; T425-Y487 HydrophobicContact CG2-CE1 3.54Å; T425-Y487 HydrophobicContact CG2-CG 4Å; E427-Y487 HydrophobicContact CB-CE1 4.14Å; E427-Y487 PolarHBondContact OE2-OH 3.05Å; I429-Y487 HydrophobicContact CB-CD2 3.77Å; I429-Y487 HydrophobicContact CB-CE2 4Å; I429-Y487 HydrophobicContact CB-CG 4.47Å; I429-Y487 HydrophobicContact CG2-CD1 4.16Å; I429-Y487 HydrophobicContact CG2-CD2 3.35Å; I429-Y487 HydrophobicContact CG2-CE1 4.41Å; I429-Y487 HydrophobicContact CG2-CE2 3.65Å; I429-Y487 HydrophobicContact CG2-CG 3.61Å; P484-Y487 HydrophobicContact CB-CD2 4.14Å; P484-Y487 WeakPolarHBondContact O-CB 3.46Å; P484-Y487 PolarHBondContact O-N 2.59Å; L485-Y487 VanDerWaalsContact C-N 3.27Å; L485-Y487 PolarHBondContact O-N 3.39Å; Y487-K489 VanDerWaalsContact C-N 3.33Å; Y487-L490 HydrophobicContact CD1-CD1 4.17Å; Y487-L490 PolarHBondContact O-N 3.28Å; Y487-L491 WeakPolarHBondContact O-CB 3.41Å; Y487-L491 PolarHBondContact O-N 3.21Å
488E98.6Very high97.1Very high0 Ų020.6 Ų20.60%011%0.109CC..Hα-helixtrans-59.3-45169.3-60.2165.9-156.500110.9I421 P434 S435 F438 Y456 P484 L485 L490 L491 V492I421-E488 HydrophobicContact CD1-CG 3.68Å; P434-E488 VanDerWaalsContact CA-OE1 3.25Å; P434-E488 WeakPolarHBondContact CA-OE1 3.12Å; S435-E488 VanDerWaalsContact CB-OE2 3.28Å; S435-E488 WeakPolarHBondContact CB-OE2 3.29Å; S435-E488 PolarHBondContact N-OE1 3.04Å; S435-E488 PolarHBondContact N-OE2 3.4Å; S435-E488 PolarHBondContact OG-OE2 3.11Å; F438-E488 HydrophobicContact CB-CB 4.31Å; F438-E488 HydrophobicContact CB-CG 4.09Å; F438-E488 VanDerWaalsContact CB-OE2 3.3Å; F438-E488 WeakPolarHBondContact CB-OE2 3.5Å; F438-E488 HydrophobicContact CD1-CG 4.49Å; F438-E488 HydrophobicContact CD2-CB 3.81Å; F438-E488 HydrophobicContact CD2-CG 4.16Å; F438-E488 HydrophobicContact CE2-CB 4.37Å; F438-E488 HydrophobicContact CG-CB 4.15Å; F438-E488 HydrophobicContact CG-CG 4.01Å; Y456-E488 WeakPolarHBondContact OH-CB 3.41Å; Y456-E488 PolarHBondContact OH-OE2 3.02Å; P484-E488 WeakPolarHBondContact CD-OE1 3.5Å; P484-E488 HydrophobicContact CG-CG 4.44Å; P484-E488 WeakPolarHBondContact O-CG 3.24Å; P484-E488 PolarHBondContact O-N 3.36Å; L485-E488 WeakPolarHBondContact CD1-OE2 3.46Å; L485-E488 PolarHBondContact O-N 2.96Å; E488-L490 PolarHBondContact O-N 3.19Å; E488-L491 WeakPolarHBondContact O-CB 3.27Å; E488-L491 PolarHBondContact O-N 3.45Å; E488-V492 WeakPolarHBondContact O-CG2 3.4Å; E488-V492 PolarHBondContact O-N 3.36Å
489K98.4Very high97.2Very high7 Ų723.9 Ų23.93%0.0313%0.129CC..Hα-helixtrans-62.4-40.1176.1-71-179.3-168.6-143.70112.6L207 Y456 I457 T478 L485 L486 Y487 L491 V492 Q493L207-K489 HydrophobicContact CD1-CB 4.3Å; Y456-K489 HydrophobicContact CD1-CG 4.06Å; Y456-K489 HydrophobicContact CE1-CB 4.48Å; Y456-K489 HydrophobicContact CE1-CG 3.74Å; Y456-K489 WeakPolarHBondContact O-CD 3.1Å; Y456-K489 WeakPolarHBondContact O-CE 3.45Å; Y456-K489 PolarHBondContact O-NZ 2.98Å; I457-K489 HydrophobicContact CG1-CB 4.32Å; I457-K489 HydrophobicContact CG1-CG 4.42Å; T478-K489 WeakPolarHBondContact O-CE 3.41Å; T478-K489 PolarHBondContact O-NZ 3Å; L485-K489 WeakPolarHBondContact O-CG 3.32Å; L485-K489 PolarHBondContact O-N 2.9Å; L486-K489 PolarHBondContact O-N 3.39Å; Y487-K489 VanDerWaalsContact C-N 3.33Å; K489-L491 VanDerWaalsContact C-N 3.3Å; K489-L491 PolarHBondContact O-N 3.05Å; K489-V492 PolarHBondContact O-N 2.81Å; K489-Q493 VanDerWaalsContact O-CB 3.26Å; K489-Q493 WeakPolarHBondContact O-CB 3.38Å; K489-Q493 PolarHBondContact O-N 2.9Å
490L97.2Very high97.2Very high23 Ų2326.4 Ų26.412%0.1214%0.14CC..Hα-helixtrans-61.5-39.8174.1-74.1177.6000112.1G210 V212 L486 Y487 E488 R494G210-L490 VanDerWaalsContact C-CD2 3.5Å; G210-L490 WeakPolarHBondContact O-CD2 3.43Å; V212-L490 HydrophobicContact CG2-CD1 4.17Å; V212-L490 HydrophobicContact CG2-CD2 3.48Å; V212-L490 VanDerWaalsContact CG2-CD2 3.48Å; V212-L490 HydrophobicContact CG2-CG 3.96Å; L486-L490 WeakPolarHBondContact O-CG 3.37Å; L486-L490 PolarHBondContact O-N 3.39Å; L486-L490 VanDerWaalsContact O-N 3.11Å; Y487-L490 HydrophobicContact CD1-CD1 4.17Å; Y487-L490 PolarHBondContact O-N 3.28Å; E488-L490 PolarHBondContact O-N 3.19Å; L490-R494 PolarHBondContact O-N 3.4Å; L490-R494 VanDerWaalsContact O-N 3.16Å
491L97.3Very high97.4Very high4 Ų427.1 Ų27.12%0.02115%0.148CC..Hα-helixtrans-68.7-47.4178-160.7153.3000110.7L251 L255 I420 I421 N424 F438 Y487 E488 K489 Q493 R494 L495L251-L491 HydrophobicContact CD1-CD1 4.44Å; L251-L491 HydrophobicContact CD1-CD2 4.49Å; L251-L491 HydrophobicContact CD2-CD2 3.88Å; L251-L491 HydrophobicContact CD2-CG 3.9Å; L251-L491 HydrophobicContact CG-CD2 4.42Å; L255-L491 HydrophobicContact CD1-CD2 4.16Å; I420-L491 HydrophobicContact CG2-CD1 4.36Å; I421-L491 HydrophobicContact CG1-CD1 4.13Å; N424-L491 HydrophobicContact CB-CD1 4.26Å; F438-L491 HydrophobicContact CE2-CD2 4.11Å; F438-L491 HydrophobicContact CZ-CD1 4.46Å; F438-L491 HydrophobicContact CZ-CD2 4.05Å; Y487-L491 WeakPolarHBondContact O-CB 3.41Å; Y487-L491 PolarHBondContact O-N 3.21Å; E488-L491 WeakPolarHBondContact O-CB 3.27Å; E488-L491 PolarHBondContact O-N 3.45Å; K489-L491 VanDerWaalsContact C-N 3.3Å; K489-L491 PolarHBondContact O-N 3.05Å; L491-Q493 VanDerWaalsContact C-N 3.31Å; L491-Q493 PolarHBondContact O-N 2.94Å; L491-R494 WeakPolarHBondContact O-CB 3.45Å; L491-R494 PolarHBondContact O-N 2.95Å; L491-R494 VanDerWaalsContact O-N 3.13Å; L491-L495 HydrophobicContact CD2-CD1 3.59Å; L491-L495 HydrophobicContact CD2-CG 4.11Å; L491-L495 WeakPolarHBondContact O-CG 3.35Å; L491-L495 PolarHBondContact O-N 3.24Å; L491-L495 VanDerWaalsContact O-N 3.11Å
492V98.3Very high97.5Very high1 Ų127.7 Ų27.71%0.00615%0.148CC..Hα-helixtrans-60.7-39.3175.4170.70000111.8F438 I441 Y456 I457 E488 K489 R494 L495 N496 V509 L511F438-V492 HydrophobicContact CD2-CG2 3.97Å; F438-V492 HydrophobicContact CE2-CG2 3.94Å; I441-V492 HydrophobicContact CD1-CG2 3.94Å; Y456-V492 HydrophobicContact CD1-CB 4.19Å; Y456-V492 HydrophobicContact CD1-CG1 4.07Å; Y456-V492 HydrophobicContact CD1-CG2 4.1Å; Y456-V492 HydrophobicContact CE1-CB 4.07Å; Y456-V492 HydrophobicContact CE1-CG1 4.43Å; Y456-V492 HydrophobicContact CE1-CG2 3.66Å; I457-V492 HydrophobicContact CD1-CG1 4.31Å; E488-V492 WeakPolarHBondContact O-CG2 3.4Å; E488-V492 PolarHBondContact O-N 3.36Å; K489-V492 PolarHBondContact O-N 2.81Å; V492-R494 VanDerWaalsContact C-N 3.3Å; V492-R494 PolarHBondContact O-N 2.64Å; V492-L495 PolarHBondContact O-N 3.26Å; V492-L495 VanDerWaalsContact O-N 3.16Å; V492-N496 PolarHBondContact O-N 3.49Å; V492-V509 HydrophobicContact CG1-CG2 3.75Å; V492-L511 HydrophobicContact CG1-CD1 4.39Å
493Q97.3Very high97.6Very high46 Ų4625.3 Ų25.322%0.21514%0.138CC..Hα-helixtrans-59.3-42.4175-173.5-82.2-1400111.3W208 I457 K489 L491 L495 N496W208-Q493 WeakPolarHBondContact O-CG 3.44Å; W208-Q493 PolarHBondContact O-NE2 3.33Å; I457-Q493 HydrophobicContact CD1-CB 3.66Å; I457-Q493 HydrophobicContact CD1-CG 4.3Å; K489-Q493 VanDerWaalsContact O-CB 3.26Å; K489-Q493 WeakPolarHBondContact O-CB 3.38Å; K489-Q493 PolarHBondContact O-N 2.9Å; L491-Q493 VanDerWaalsContact C-N 3.31Å; L491-Q493 PolarHBondContact O-N 2.94Å; Q493-L495 VanDerWaalsContact C-N 3.27Å; Q493-L495 PolarHBondContact O-N 2.92Å; Q493-N496 WeakPolarHBondContact O-CB 3.43Å; Q493-N496 PolarHBondContact O-N 2.79Å
494R96.1Very high97.5Very high68 Ų6825.6 Ų25.626%0.25714%0.14SC..Hα-helixtrans-67.1-30.4178.4-166.6-176.6-58163.68.3112.4L490 L491 V492L490-R494 PolarHBondContact O-N 3.4Å; L490-R494 VanDerWaalsContact O-N 3.16Å; L491-R494 WeakPolarHBondContact O-CB 3.45Å; L491-R494 PolarHBondContact O-N 2.95Å; L491-R494 VanDerWaalsContact O-N 3.13Å; V492-R494 VanDerWaalsContact C-N 3.3Å; V492-R494 PolarHBondContact O-N 2.64Å
495L97.1Very high97.5Very high1 Ų133 Ų331%0.00517%0.168CC..Hα-helixtrans-80.2-19.2177.5-65.7177.4000113.6L251 L252 L255 L491 V492 Q493 T497 L511L251-L495 HydrophobicContact CB-CD2 4.26Å; L251-L495 HydrophobicContact CD2-CD2 3.73Å; L251-L495 HydrophobicContact CD2-CG 4.06Å; L251-L495 HydrophobicContact CG-CD2 3.85Å; L252-L495 HydrophobicContact CD2-CD2 3.71Å; L252-L495 HydrophobicContact CG-CD2 3.69Å; L255-L495 HydrophobicContact CD1-CD1 3.65Å; L255-L495 HydrophobicContact CD1-CD2 4.34Å; L491-L495 HydrophobicContact CD2-CD1 3.59Å; L491-L495 HydrophobicContact CD2-CG 4.11Å; L491-L495 WeakPolarHBondContact O-CG 3.35Å; L491-L495 PolarHBondContact O-N 3.24Å; L491-L495 VanDerWaalsContact O-N 3.11Å; V492-L495 PolarHBondContact O-N 3.26Å; V492-L495 VanDerWaalsContact O-N 3.16Å; Q493-L495 VanDerWaalsContact C-N 3.27Å; Q493-L495 PolarHBondContact O-N 2.92Å; L495-T497 PolarHBondContact O-N 3.5Å; L495-L511 HydrophobicContact CB-CD2 3.62Å
496N97.9Very high97.5Very high27 Ų2735.2 Ų35.214%0.14418%0.177CC..  trans-58.5132.5-175-177.438.5000112.3V492 Q493 G498 V509 V510V492-N496 PolarHBondContact O-N 3.49Å; Q493-N496 WeakPolarHBondContact O-CB 3.43Å; Q493-N496 PolarHBondContact O-N 2.79Å; N496-G498 PolarHBondContact ND2-O 2.94Å; N496-G498 PolarHBondContact OD1-N 2.88Å; N496-V509 HydrophobicContact CB-CB 4.15Å; N496-V509 HydrophobicContact CB-CG1 4.14Å; N496-V509 WeakPolarHBondContact OD1-CA 3.42Å; N496-V509 WeakPolarHBondContact OD1-CB 3.49Å; N496-V510 PolarHBondContact OD1-N 2.95Å; N496-V510 PolarHBondContact OD1-O 3.46Å
497T97.5Very high97.6Very high66 Ų6635.1 Ų35.141%0.40518%0.176SC..  trans-113.2-8.1173.960.20000112.7L495 V510L495-T497 PolarHBondContact O-N 3.5Å; T497-V510 PolarHBondContact N-O 3.49Å; T497-V510 PolarHBondContact OG1-O 2.93Å
498G97.1Very high97.6Very high20 Ų2035.8 Ų35.821%0.20618%0.179CC..SBendtrans-75.2168.3177.300000113.1N496N496-G498 PolarHBondContact ND2-O 2.94Å; N496-G498 PolarHBondContact OD1-N 2.88Å
499T97.7Very high97.6Very high79 Ų7935.8 Ų35.849%0.48518%0.179SC..  trans-71.6150.8-177.575.10000111.9G501 D502 L503T499-G501 PolarHBondContact O-N 3.5Å; T499-D502 PolarHBondContact O-N 3.34Å; T499-D502 WeakPolarHBondContact OG1-CB 3.31Å; T499-D502 PolarHBondContact OG1-N 3.34Å; T499-D502 PolarHBondContact OG1-OD2 2.97Å; T499-L503 PolarHBondContact O-N 3.41Å
500Q95.9Very high97.6Very high65 Ų6536.1 Ų36.130%0.30418%0.182SC..Hα-helixtrans-61.2-32.1172.3-173.663.35600111.8L503 Q504Q500-L503 PolarHBondContact O-N 2.97Å; Q500-Q504 HydrophobicContact CG-CG 4.4Å; Q500-Q504 VanDerWaalsContact O-CG 3.24Å; Q500-Q504 WeakPolarHBondContact O-CG 3.18Å; Q500-Q504 PolarHBondContact O-N 3.44Å
501G97.5Very high97.7Very high18 Ų1835 Ų3519%0.18618%0.176CC..Hα-helixtrans-66.2-39.8177.700000112.9T499 Q504 R505T499-G501 PolarHBondContact O-N 3.5Å; G501-Q504 PolarHBondContact O-N 3.38Å; G501-R505 WeakPolarHBondContact O-CB 3.34Å; G501-R505 PolarHBondContact O-N 3.42Å
502D97.8Very high97.7Very high32 Ų3236 Ų3617%0.17118%0.183CC..Hα-helixtrans-65.7-42.3174.1-68.6-41.2000111.5T499 Q504 K506 G507 K508T499-D502 PolarHBondContact O-N 3.34Å; T499-D502 WeakPolarHBondContact OG1-CB 3.31Å; T499-D502 PolarHBondContact OG1-N 3.34Å; T499-D502 PolarHBondContact OG1-OD2 2.97Å; D502-Q504 PolarHBondContact O-N 2.98Å; D502-K506 CarbonylContact O-C 3.56Å; D502-K506 VanDerWaalsContact O-CA 3.3Å; D502-K506 WeakPolarHBondContact O-CA 3.49Å; D502-K506 VanDerWaalsContact O-CB 3.26Å; D502-K506 WeakPolarHBondContact O-CB 3.33Å; D502-K506 PolarHBondContact O-N 2.96Å; D502-G507 PolarHBondContact O-N 2.91Å; D502-K508 HydrophobicContact CB-CB 4.37Å; D502-K508 PolarHBondContact O-N 3.33Å
503L97.9Very high97.7Very high1 Ų136 Ų361%0.00518%0.182CC..Hα-helixtrans-59.4-48.7175.3175.854.9000111.4W208 I457 T499 Q500 G507 K508 V509W208-L503 HydrophobicContact CB-CD2 4.16Å; W208-L503 HydrophobicContact CG-CD2 4.13Å; W208-L503 HydrophobicContact CG-CG 4.28Å; I457-L503 HydrophobicContact CB-CD1 3.7Å; I457-L503 HydrophobicContact CG2-CD1 3.71Å; T499-L503 PolarHBondContact O-N 3.41Å; Q500-L503 PolarHBondContact O-N 2.97Å; L503-G507 WeakPolarHBondContact O-CA 3.3Å; L503-G507 PolarHBondContact O-N 2.9Å; L503-K508 WeakPolarHBondContact CA-O 3.22Å; L503-K508 PolarHBondContact N-O 2.93Å; L503-V509 HydrophobicContact CD1-CG1 3.89Å
504Q97.4Very high97.5Very high58 Ų5834.7 Ų34.727%0.27118%0.176SC..Hα-helixtrans-68.5-45.6-176.8-69.3178.4-2.100112.7W208 S459 V460 Q500 G501 D502W208-Q504 HydrophobicContact CD2-CG 3.92Å; W208-Q504 HydrophobicContact CE3-CG 3.61Å; W208-Q504 HydrophobicContact CH2-CB 4.05Å; W208-Q504 HydrophobicContact CH2-CG 3.79Å; W208-Q504 HydrophobicContact CZ2-CB 4.25Å; W208-Q504 HydrophobicContact CZ2-CG 4.07Å; W208-Q504 HydrophobicContact CZ3-CB 4.29Å; W208-Q504 HydrophobicContact CZ3-CG 3.55Å; S459-Q504 WeakPolarHBondContact CA-O 3.48Å; S459-Q504 WeakPolarHBondContact CB-O 3.2Å; V460-Q504 PolarHBondContact N-O 3Å; Q500-Q504 HydrophobicContact CG-CG 4.4Å; Q500-Q504 VanDerWaalsContact O-CG 3.24Å; Q500-Q504 WeakPolarHBondContact O-CG 3.18Å; Q500-Q504 PolarHBondContact O-N 3.44Å; G501-Q504 PolarHBondContact O-N 3.38Å; D502-Q504 PolarHBondContact O-N 2.98Å
505R97.5Very high97.3Very high156 Ų15635.8 Ų35.859%0.58918%0.184SC*.Hα-helixtrans-87.2-36.9-174-66.4-171.9-62.1-105-2.1113.3R461 G501R461-R505 VanDerWaalsContact CZ-O 3.3Å; R461-R505 PolarHBondContact NH1-O 3.32Å; R461-R505 PolarHBondContact NH2-O 3.37Å; G501-R505 WeakPolarHBondContact O-CB 3.34Å; G501-R505 PolarHBondContact O-N 3.42Å
506K98.4Very high97.2Very high62 Ų6238.4 Ų38.427%0.2720%0.201SC..Hα-helixtrans-108.4-9.1-173.4-58.5-174.8173.5-174.60113L310 E313 D502 K508L310-K506 HydrophobicContact CD2-CB 4.02Å; L310-K506 HydrophobicContact CD2-CD 3.9Å; L310-K506 HydrophobicContact CD2-CG 3.96Å; E313-K506 IonicContact OE2-NZ 3.38Å; E313-K506 PolarHBondContact OE2-NZ 3.4Å; D502-K506 CarbonylContact O-C 3.56Å; D502-K506 VanDerWaalsContact O-CA 3.3Å; D502-K506 WeakPolarHBondContact O-CA 3.49Å; D502-K506 VanDerWaalsContact O-CB 3.26Å; D502-K506 WeakPolarHBondContact O-CB 3.33Å; D502-K506 PolarHBondContact O-N 2.96Å; K506-K508 HydrophobicContact CB-CB 3.83Å; K506-K508 PolarHBondContact O-N 2.9Å
507G98.4Very high96.9Very high0 Ų037.9 Ų37.90%020%0.198CC..  trans6424.5-171.900000110.8E455 I457 S459 D502 L503E455-G507 PolarHBondContact N-O 3.15Å; I457-G507 WeakPolarHBondContact O-CA 3.33Å; S459-G507 VanDerWaalsContact CB-N 3.33Å; D502-G507 PolarHBondContact O-N 2.91Å; L503-G507 WeakPolarHBondContact O-CA 3.3Å; L503-G507 PolarHBondContact O-N 2.9Å
508K98.7Very high96.7Very high18 Ų1843 Ų438%0.07822%0.217CC..EExtended strand (participates in β ladder)trans-101.6127.2-169.8-174.4175.281.2164.80110.9E313 H452 V453 Y454 D502 L503 K506E313-K508 VanDerWaalsContact OE1-CD 3.24Å; E313-K508 WeakPolarHBondContact OE1-CD 3.45Å; E313-K508 WeakPolarHBondContact OE1-CE 3.48Å; E313-K508 IonicContact OE1-NZ 3.68Å; E313-K508 PolarHBondContact OE1-NZ 3.48Å; H452-K508 HydrophobicContact CB-CD 4.32Å; H452-K508 HydrophobicContact CB-CG 4.5Å; H452-K508 PolarHBondContact ND1-NZ 3.18Å; V453-K508 WeakPolarHBondContact O-CA 3.21Å; Y454-K508 HydrophobicContact CD1-CB 4.19Å; Y454-K508 HydrophobicContact CD1-CD 4.21Å; Y454-K508 HydrophobicContact CD1-CG 4.15Å; Y454-K508 HydrophobicContact CE1-CB 4.24Å; Y454-K508 HydrophobicContact CE1-CD 3.45Å; Y454-K508 VanDerWaalsContact CE1-CD 3.45Å; Y454-K508 HydrophobicContact CE1-CG 3.88Å; D502-K508 HydrophobicContact CB-CB 4.37Å; D502-K508 PolarHBondContact O-N 3.33Å; L503-K508 WeakPolarHBondContact CA-O 3.22Å; L503-K508 PolarHBondContact N-O 2.93Å; K506-K508 HydrophobicContact CB-CB 3.83Å; K506-K508 PolarHBondContact O-N 2.9Å
509V98.5Very high96.4Very high0 Ų043.7 Ų43.70%022%0.219CC..EExtended strand (participates in β ladder)trans-113.4150.1165.1-62.10000110H452 V453 I457 V492 N496 L503H452-V509 WeakPolarHBondContact CA-O 3.39Å; V453-V509 HydrophobicContact CB-CG2 3.58Å; V453-V509 HydrophobicContact CG1-CG2 4.45Å; V453-V509 HydrophobicContact CG2-CG2 4.04Å; V453-V509 PolarHBondContact N-O 2.97Å; V453-V509 PolarHBondContact O-N 3.36Å; I457-V509 HydrophobicContact CD1-CG1 3.94Å; I457-V509 HydrophobicContact CG1-CG1 4.47Å; V492-V509 HydrophobicContact CG1-CG2 3.75Å; N496-V509 HydrophobicContact CB-CB 4.15Å; N496-V509 HydrophobicContact CB-CG1 4.14Å; N496-V509 WeakPolarHBondContact OD1-CA 3.42Å; N496-V509 WeakPolarHBondContact OD1-CB 3.49Å; L503-V509 HydrophobicContact CD1-CG1 3.89Å
510V98.7Very high95.6Very high14 Ų1445.6 Ų45.69%0.08523%0.232CC..EExtended strand (participates in β ladder)trans-117.7123.4178.4-176.30000108.6E450 V451 N496 T497E450-V510 HydrophobicContact CG-CG1 3.59Å; V451-V510 WeakPolarHBondContact O-CA 3.36Å; N496-V510 PolarHBondContact OD1-N 2.95Å; N496-V510 PolarHBondContact OD1-O 3.46Å; T497-V510 PolarHBondContact N-O 3.49Å; T497-V510 PolarHBondContact OG1-O 2.93Å
511L98.7Very high94.4Very high0 Ų046.5 Ų46.50%025%0.251CS..EExtended strand (participates in β ladder)trans-120.3136.3-175.8-54.5176.4000110I441 M445 V451 V453 V492 L495I441-L511 HydrophobicContact CG2-CD1 3.39Å; M445-L511 HydrophobicContact CE-CB 4.46Å; M445-L511 HydrophobicContact CG-CB 4.49Å; M445-L511 HydrophobicContact SD-CB 4.31Å; M445-L511 HydrophobicContact SD-CD1 4.1Å; V451-L511 HydrophobicContact CB-CB 4.43Å; V451-L511 PolarHBondContact N-O 3.21Å; V451-L511 PolarHBondContact O-N 2.95Å; V453-L511 HydrophobicContact CG2-CD1 3.82Å; V453-L511 HydrophobicContact CG2-CG 4.41Å; V492-L511 HydrophobicContact CG1-CD1 4.39Å; L495-L511 HydrophobicContact CB-CD2 3.62Å
512P97.9Very high92.6Very high24 Ų2451.5 Ų51.516%0.15628%0.28CS..EExtended strand (participates in β ladder)trans-72.2140.9174.530.3-33.8000110.6L252 M445 V517L252-P512 HydrophobicContact CD1-CG 3.64Å; L252-P512 HydrophobicContact CD2-CG 3.89Å; L252-P512 HydrophobicContact CG-CG 4.44Å; M445-P512 WeakPolarHBondContact CE-O 3.42Å; P512-V517 HydrophobicContact CG-CG2 4.47Å
513G96.7Very high90.3Very high0 Ų054.9 Ų54.90%031%0.306CS..  trans-62.7149167.700000113.2M445 C448 R449 Q515 T516 V517M445-G513 CarbonylContact O-C 3.55Å; M445-G513 WeakPolarHBondContact O-CA 3.4Å; C448-G513 WeakPolarHBondContact O-CA 3.43Å; R449-G513 WeakPolarHBondContact O-CA 3.36Å; R449-G513 PolarHBondContact O-N 2.95Å; G513-Q515 PolarHBondContact O-N 2.95Å; G513-Q515 VanDerWaalsContact O-N 3.12Å; G513-T516 PolarHBondContact O-N 2.89Å; G513-T516 PolarHBondContact O-OG1 3.01Å; G513-V517 WeakPolarHBondContact O-CG2 3.3Å; G513-V517 PolarHBondContact O-N 3.49Å
514F95.1Very high87.7Confident20 Ų2060.4 Ų60.49%0.08834%0.342CS..THydrogen-bonded Turntrans-61.2-25.8179.2-70.3-44.7000114.2L255 R256 L442 M445 T516 V517L255-F514 HydrophobicContact CB-CE1 3.86Å; L255-F514 HydrophobicContact CB-CZ 3.95Å; R256-F514 HydrophobicContact CB-CD1 3.7Å; R256-F514 HydrophobicContact CB-CE1 4.13Å; R256-F514 HydrophobicContact CB-CG 4.2Å; R256-F514 WeakPolarHBondContact CD-O 3.44Å; R256-F514 HydrophobicContact CG-CB 4.01Å; R256-F514 HydrophobicContact CG-CD1 4.11Å; R256-F514 HydrophobicContact CG-CG 4.14Å; L442-F514 HydrophobicContact CD1-CE2 4.05Å; L442-F514 HydrophobicContact CD1-CZ 3.52Å; M445-F514 HydrophobicContact CB-CD2 3.97Å; M445-F514 HydrophobicContact CB-CE2 3.77Å; M445-F514 HydrophobicContact CB-CG 4.45Å; M445-F514 HydrophobicContact CB-CZ 4.11Å; M445-F514 HydrophobicContact CE-CD1 4.31Å; M445-F514 HydrophobicContact CE-CE1 3.75Å; M445-F514 HydrophobicContact CE-CZ 4.02Å; M445-F514 PolarHBondContact O-N 3.12Å; M445-F514 HydrophobicContact SD-CZ 4.4Å; F514-T516 VanDerWaalsContact C-N 3.27Å; F514-T516 PolarHBondContact O-N 3.38Å; F514-V517 PolarHBondContact O-N 3.41Å
515Q91.9Very high85.4Confident90 Ų9064.1 Ų64.142%0.42137%0.368SS..THydrogen-bonded Turntrans-69.4-22.9175.7-61178.8800112.9G513G513-Q515 PolarHBondContact O-N 2.95Å; G513-Q515 VanDerWaalsContact O-N 3.12Å
516T93.6Very high82.7Confident57 Ų5762.8 Ų62.835%0.3537%0.372SS..THydrogen-bonded Turntrans-97.6-9.6179.7670000112.6R449 G513 F514 H518R449-T516 HydrophobicContact CB-CG2 3.84Å; R449-T516 HydrophobicContact CG-CG2 4.16Å; G513-T516 PolarHBondContact O-N 2.89Å; G513-T516 PolarHBondContact O-OG1 3.01Å; F514-T516 VanDerWaalsContact C-N 3.27Å; F514-T516 PolarHBondContact O-N 3.38Å; T516-H518 PolarHBondContact O-CE1 3.3Å; T516-H518 PolarHBondContact O-ND1 3.48Å
517V92.9Very high80.4Confident15 Ų1564.8 Ų64.89%0.09139%0.391CS..  trans-74.7128.4176.9178.90000109.9L252 R256 P512 G513 F514L252-V517 HydrophobicContact CB-CG1 3.87Å; L252-V517 HydrophobicContact CB-CG2 4.05Å; L252-V517 HydrophobicContact CD1-CG2 4.25Å; L252-V517 HydrophobicContact CD2-CG2 4.21Å; L252-V517 HydrophobicContact CG-CG2 4.4Å; R256-V517 PolarHBondContact NH1-O 3.09Å; P512-V517 HydrophobicContact CG-CG2 4.47Å; G513-V517 WeakPolarHBondContact O-CG2 3.3Å; G513-V517 PolarHBondContact O-N 3.49Å; F514-V517 PolarHBondContact O-N 3.41Å
518H91.6Very high78Confident173 Ų17373.8 Ų73.880%0.80143%0.433SS*.  trans-101.8120.7172.4-64.973.8000108.6T516T516-H518 PolarHBondContact O-CE1 3.3Å; T516-H518 PolarHBondContact O-ND1 3.48Å
519C90.7Very high75.4Confident36 Ų3682 Ų8224%0.24349%0.492CS..  trans-112.8136.3176.8-58.80000109.7C253 R256C253-C519 WeakPolarHBondContact CA-SG 3.48Å; C253-C519 HydrophobicContact CB-CB 3.83Å; C253-C519 WeakPolarHBondContact CB-SG 3.41Å; C253-C519 WeakPolarHBondContact SG-CA 3.42Å; C253-C519 WeakPolarHBondContact SG-CB 3.39Å; C253-C519 CovalentContact SG-SG 2.03Å; C253-C519 PolarHBondContact SG-SG 3.46Å; R256-C519 VanDerWaalsContact NH2-CB 3.26Å; R256-C519 PolarHBondContact NH2-SG 3.25Å
520P82.1Confident74.2Confident118 Ų11886.1 Ų86.177%0.76652%0.516SS*.PPolyproline II helixtrans-57.1143.5170.723.9-30.6000109.2
521A69.9Low72.9Confident84 Ų8489.8 Ų89.869%0.69454%0.539SS*.PPolyproline II helixtrans-55.3141172.200000108.8S523A521-S523 PolarHBondContact O-N 3.44Å; A521-S523 VanDerWaalsContact O-N 3.1Å
522P60.2Low71.5Confident123 Ų12394.8 Ų94.880%0.79957%0.569SS**PPolyproline II helixtrans-57121.9174.421.7-29.3000108.5
523S49Very low70Confident104 Ų10499 Ų9973%0.72759%0.593SS**PPolyproline II helixtrans-55.5130173.8-56.60000108.3A521 V525A521-S523 PolarHBondContact O-N 3.44Å; A521-S523 VanDerWaalsContact O-N 3.1Å; S523-V525 PolarHBondContact O-N 3.18Å; S523-V525 VanDerWaalsContact O-N 3.11Å
524P43.9Very low68.3Low117 Ų117105.2 Ų105.276%0.7663%0.631SS**PPolyproline II helixtrans-57.4122.9175.822.3-30.4000108.1I526P524-I526 PolarHBondContact O-N 3.2Å
525V49.8Very low66.5Low135 Ų135110.9 Ų110.982%0.81867%0.667SS**  trans-65.9101.7172.5-1800000105.7S523 P527S523-V525 PolarHBondContact O-N 3.18Å; S523-V525 VanDerWaalsContact O-N 3.11Å; V525-P527 VanDerWaalsContact O-CD 3.29Å; V525-P527 WeakPolarHBondContact O-CD 3.43Å
526I40.7Very low64.7Low129 Ų129112.4 Ų112.466%0.66268%0.684SS**  trans-63.9117.7168.5-59.8176.1000105.2P524 H528P524-I526 PolarHBondContact O-N 3.2Å; I526-H528 PolarHBondContact O-N 2.95Å
527P48.8Very low62.5Low103 Ų103116.6 Ų116.667%0.66971%0.71SS**  trans-63112.6174.9-11.525.7000106.8V525 S529V525-P527 VanDerWaalsContact O-CD 3.29Å; V525-P527 WeakPolarHBondContact O-CD 3.43Å; P527-S529 PolarHBondContact O-N 3.43Å
528H48.8Very low59.9Low190 Ų190125.1 Ų125.188%0.8876%0.762SS**  trans-61.2113.3165.7-72.9-67.6000106.8I526I526-H528 PolarHBondContact O-N 2.95Å
529S43.6Very low57Low189 Ų189120.7 Ų120.7100%1.32276%0.758SS**  trans-71.40-177.9-44.20000111.6P527P527-S529 PolarHBondContact O-N 3.43Å

Retrieved 529 of 529 residues in 899.9 ms (Link to these results)

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