A0A077S6P9_CANLF Loading...

Lysozyme E

AlphaFold DB , UniProt , Accession A0A077S6P9, Species CANLF (Canis lupus familiaris, Dog), Gene LYZE, Length 160 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
1M40.2Very low57.3Low246 Ų246149.5 Ų149.5100%1.21281%0.805SS**  0101.20-68.4-176.1-8300107.7
2Q41.4Very low58.3Low173 Ų173144.6 Ų144.681%0.80880%0.801SS**  trans-107.4114.3169.4-80.8177.8-7.800106.5
3A51.7Low58.8Low97 Ų97141.6 Ų141.680%0.80279%0.789SS**  trans-81.1122.2176.200000108.4
4W61.9Low59.6Low227 Ų227143.1 Ų143.186%0.8679%0.794SS**  trans-89110.2174.7-66.555.2000106.5T6W4-T6 PolarHBondContact O-N 3.05Å
5V57Low59.8Low139 Ų139142.1 Ų142.184%0.84279%0.793SS**  trans-77.999.1170.9179.50000106.8M7V5-M7 PolarHBondContact O-N 2.76Å
6T59.6Low60.1Low115 Ų115141.3 Ų141.371%0.70679%0.793SS**  trans-74.5103.9170.548.50000108.7W4 V8W4-T6 PolarHBondContact O-N 3.05Å; T6-V8 PolarHBondContact O-N 3.2Å; T6-V8 VanDerWaalsContact O-N 3.1Å
7M59.4Low60.4Low158 Ų158137.5 Ų137.578%0.77878%0.783SS**  trans-71.597.6169.4-169.7178.9103.900108.4V5 V9V5-M7 PolarHBondContact O-N 2.76Å; M7-V9 HydrophobicContact CE-CG2 3.35Å; M7-V9 HydrophobicContact CG-CG2 4.49Å; M7-V9 PolarHBondContact O-N 3.35Å; M7-V9 VanDerWaalsContact O-N 3.13Å
8V63.3Low60.9Low112 Ų112136.8 Ų136.868%0.67979%0.785SS**  trans-75.2100.3174-177.80000107.7T6 T10T6-V8 PolarHBondContact O-N 3.2Å; T6-V8 VanDerWaalsContact O-N 3.1Å; V8-T10 HydrophobicContact CG1-CG2 4.09Å; V8-T10 PolarHBondContact O-N 2.87Å
9V64.3Low61.6Low105 Ų105134.4 Ų134.464%0.63677%0.772SS**  trans-76.896.6168.8179.90000107.2M7 L11M7-V9 HydrophobicContact CE-CG2 3.35Å; M7-V9 HydrophobicContact CG-CG2 4.49Å; M7-V9 PolarHBondContact O-N 3.35Å; M7-V9 VanDerWaalsContact O-N 3.13Å; V9-L11 PolarHBondContact O-N 2.78Å; V9-L11 VanDerWaalsContact O-N 3.09Å
10T65.1Low62.9Low124 Ų124132.2 Ų132.276%0.76176%0.758SS**  trans-73.897.4170.4420000109V8 A12V8-T10 HydrophobicContact CG1-CG2 4.09Å; V8-T10 PolarHBondContact O-N 2.87Å; T10-A12 PolarHBondContact O-N 2.04Å
11L66.6Low64.2Low148 Ų148127.7 Ų127.778%0.77574%0.737SS**  trans-69.297.9167.6-169.869.9000107.9V9 T13V9-L11 PolarHBondContact O-N 2.78Å; V9-L11 VanDerWaalsContact O-N 3.09Å; L11-T13 PolarHBondContact O-N 3.2Å
12A68.5Low66.9Low91 Ų91118.2 Ų118.275%0.75269%0.689SS**  trans-67.394.9172.700000108.6T10 L14T10-A12 PolarHBondContact O-N 2.04Å; A12-L14 PolarHBondContact O-N 3.25Å
13T65.9Low69.7Low106 Ų106115.3 Ų115.365%0.6568%0.678SS**  trans-68.5111.2172.749.50000108.6L11 T15L11-T13 PolarHBondContact O-N 3.2Å; T13-T15 PolarHBondContact O-N 3.26Å
14L69.1Low71.9Confident163 Ų163111 Ų11185%0.85364%0.641SS**  trans-65.1100.2170.4-125.677.4000108A12 V16A12-L14 PolarHBondContact O-N 3.25Å; L14-V16 PolarHBondContact O-N 3.47Å
15T63.1Low73.6Confident128 Ų128107 Ų10779%0.78563%0.632SS**  trans-76.210217353.90000108.4T13 A17T13-T15 PolarHBondContact O-N 3.26Å; T15-A17 PolarHBondContact O-N 3.19Å
16V64.8Low75.6Confident129 Ų129103.8 Ų103.878%0.78260%0.604SS**  trans-77.7110.9166.4-173.90000106.4L14L14-V16 PolarHBondContact O-N 3.47Å
17A64.9Low77.4Confident76 Ų7699.9 Ų99.963%0.62858%0.582SS**  trans-61.9133173.800000108.7T15 V19T15-A17 PolarHBondContact O-N 3.19Å; A17-V19 PolarHBondContact O-N 3.22Å
18P69.2Low79.2Confident125 Ų12595.8 Ų95.881%0.81256%0.56SS**  trans-62.4130.4174.426-32.1000109.1D20P18-D20 PolarHBondContact O-N 3.32Å
19V75.1Confident80.9Confident91 Ų9190.4 Ų90.455%0.55253%0.528SS*.  trans-76.6112.2172.6-177.30000107.4A17 A21 L104 N105A17-V19 PolarHBondContact O-N 3.22Å; V19-A21 PolarHBondContact O-N 3.49Å; V19-L104 HydrophobicContact CG1-CB 4.17Å; V19-L104 WeakPolarHBondContact CG1-O 3.44Å; V19-N105 HydrophobicContact CG1-CB 4.3Å
20D86.6Confident82.5Confident90 Ų9085.4 Ų85.448%0.48150%0.498SS..  trans-77.886.6177.4-173.318.7000109P18 R106P18-D20 PolarHBondContact O-N 3.32Å; D20-R106 VanDerWaalsContact CG-CD 3.41Å; D20-R106 VanDerWaalsContact O-CB 3.22Å; D20-R106 WeakPolarHBondContact O-CB 2.97Å; D20-R106 WeakPolarHBondContact O-CG 3.29Å; D20-R106 PolarHBondContact O-N 2.69Å; D20-R106 IonicContact OD1-NH1 3.71Å; D20-R106 WeakPolarHBondContact OD2-CD 3.25Å; D20-R106 IonicContact OD2-CZ 2.67Å; D20-R106 IonicContact OD2-NE 3.88Å; D20-R106 IonicContact OD2-NH1 2.61Å; D20-R106 PolarHBondContact OD2-NH1 3.33Å
21A91.5Very high84.1Confident39 Ų3983.7 Ų83.732%0.32248%0.482SS..  trans-89.3164.9-179.800000113.1V19V19-A21 PolarHBondContact O-N 3.49Å
22K96.7Very high85.6Confident47 Ų4779.9 Ų79.920%0.20446%0.459CS..  trans-150.8138.8-176.2172.9167.8175.5153.90112.6Y24 E28 T61 R106K22-Y24 HydrophobicContact CB-CE2 4.31Å; K22-Y24 HydrophobicContact CD-CD1 4.41Å; K22-Y24 HydrophobicContact CD-CD2 4.16Å; K22-Y24 HydrophobicContact CD-CE1 4.17Å; K22-Y24 HydrophobicContact CD-CE2 3.89Å; K22-Y24 HydrophobicContact CD-CG 4.4Å; K22-Y24 HydrophobicContact CG-CD2 3.98Å; K22-Y24 HydrophobicContact CG-CE2 4.01Å; K22-Y24 HydrophobicContact CG-CG 4.46Å; K22-E28 WeakPolarHBondContact CE-OE2 3.39Å; K22-E28 IonicContact NZ-OE1 2.82Å; K22-E28 PolarHBondContact NZ-OE1 2.91Å; K22-E28 IonicContact NZ-OE2 3.67Å; K22-E28 PolarHBondContact NZ-OE2 3.02Å; K22-T61 PolarHBondContact N-OG1 2.95Å; K22-T61 WeakPolarHBondContact O-CG2 3.43Å; K22-T61 PolarHBondContact O-N 3.27Å; K22-T61 PolarHBondContact O-OG1 3.41Å; K22-R106 HydrophobicContact CB-CB 3.72Å
23I98.4Very high87Confident111 Ų11175.6 Ų75.657%0.56942%0.423SS*.BIsolated β-bridgetrans-90.1122158.4-54.5177.8000108.1F59 D60I23-F59 WeakPolarHBondContact CA-O 3.08Å; I23-D60 HydrophobicContact CG1-CB 3.91Å
24Y98.4Very high88.5Confident8 Ų873.8 Ų73.83%0.03141%0.408CS..PPolyproline II helixtrans-83.7139.3179.6-83.8-96.8000112.7K22 E28 L29 K32 F59 T61 I76 R106 I108K22-Y24 HydrophobicContact CB-CE2 4.31Å; K22-Y24 HydrophobicContact CD-CD1 4.41Å; K22-Y24 HydrophobicContact CD-CD2 4.16Å; K22-Y24 HydrophobicContact CD-CE1 4.17Å; K22-Y24 HydrophobicContact CD-CE2 3.89Å; K22-Y24 HydrophobicContact CD-CG 4.4Å; K22-Y24 HydrophobicContact CG-CD2 3.98Å; K22-Y24 HydrophobicContact CG-CE2 4.01Å; K22-Y24 HydrophobicContact CG-CG 4.46Å; Y24-E28 HydrophobicContact CD1-CB 4.47Å; Y24-E28 HydrophobicContact CD1-CG 4.11Å; Y24-E28 HydrophobicContact CE1-CG 4.37Å; Y24-L29 HydrophobicContact CD1-CB 4.33Å; Y24-L29 HydrophobicContact CD1-CD1 4.4Å; Y24-L29 HydrophobicContact CG-CB 4.4Å; Y24-L29 HydrophobicContact CG-CD1 4.3Å; Y24-K32 HydrophobicContact CE1-CD 3.84Å; Y24-K32 PolarHBondContact OH-NZ 3.2Å; Y24-F59 PolarHBondContact N-O 3.15Å; Y24-F59 WeakPolarHBondContact O-CB 3.3Å; Y24-F59 WeakPolarHBondContact O-CD2 3.05Å; Y24-T61 HydrophobicContact CD2-CG2 4Å; Y24-T61 HydrophobicContact CE2-CG2 3.75Å; Y24-I76 HydrophobicContact CD2-CD1 3.98Å; Y24-R106 PolarHBondContact OH-O 2.93Å; Y24-I108 HydrophobicContact CE2-CD1 4.36Å; Y24-I108 HydrophobicContact CE2-CG2 3.83Å
25E98.3Very high89.8Confident142 Ų14275.2 Ų75.266%0.66441%0.407SS*.PPolyproline II helixtrans-70.6141.9163.3-67.7-63.2156.600110.4C27 E28 L29E25-C27 PolarHBondContact O-N 2.61Å; E25-E28 HydrophobicContact CB-CB 4.13Å; E25-E28 WeakPolarHBondContact O-CB 3.32Å; E25-E28 PolarHBondContact O-N 3.06Å; E25-L29 PolarHBondContact O-N 3.38Å
26R98.1Very high91.4Very high71 Ų7170.4 Ų70.427%0.26838%0.38SS..Hα-helixtrans-49.9-51.9-174.7179.6177.257.686.1-1.2113.5E28 L29 A30 L50 F59 E142 W143 K145 C147R26-E28 VanDerWaalsContact C-N 3.35Å; R26-L29 PolarHBondContact O-N 3.42Å; R26-A30 WeakPolarHBondContact O-CB 3.38Å; R26-A30 PolarHBondContact O-N 3.13Å; R26-L50 HydrophobicContact CG-CD1 4.38Å; R26-F59 HydrophobicContact CB-CE2 3.99Å; R26-F59 HydrophobicContact CG-CE2 4.39Å; R26-E142 PolarHBondContact NH1-O 2.67Å; R26-W143 WeakPolarHBondContact CD-O 3.34Å; R26-W143 HydrophobicContact CG-CE3 4.25Å; R26-W143 PolarHBondContact NH1-O 2.99Å; R26-K145 PolarHBondContact NH1-O 3.32Å; R26-K145 PolarHBondContact NH2-O 3.02Å; R26-C147 PolarHBondContact NH1-SG 2.92Å
27C98.3Very high93Very high34 Ų3466.4 Ų66.423%0.2337%0.365CS..Hα-helixtrans-73-28.4-178.2-63.70000113E25 M31 C147E25-C27 PolarHBondContact O-N 2.61Å; C27-M31 WeakPolarHBondContact O-CE 3.45Å; C27-M31 WeakPolarHBondContact O-CG 3.29Å; C27-M31 PolarHBondContact O-N 2.92Å; C27-M31 VanDerWaalsContact O-N 3.13Å; C27-C147 WeakPolarHBondContact CA-SG 3.43Å; C27-C147 HydrophobicContact CB-CB 3.73Å; C27-C147 WeakPolarHBondContact CB-SG 3.36Å; C27-C147 WeakPolarHBondContact SG-CA 3.36Å; C27-C147 WeakPolarHBondContact SG-CB 2.8Å; C27-C147 CovalentContact SG-SG 2.04Å; C27-C147 PolarHBondContact SG-SG 2.89Å
28E97.8Very high94.5Very high71 Ų7162.8 Ų62.833%0.33234%0.335SS..Hα-helixtrans-66.1-47.1173.3-172.6-169.816800110.4K22 Y24 E25 R26 A30 M31 K32K22-E28 WeakPolarHBondContact CE-OE2 3.39Å; K22-E28 IonicContact NZ-OE1 2.82Å; K22-E28 PolarHBondContact NZ-OE1 2.91Å; K22-E28 IonicContact NZ-OE2 3.67Å; K22-E28 PolarHBondContact NZ-OE2 3.02Å; Y24-E28 HydrophobicContact CD1-CB 4.47Å; Y24-E28 HydrophobicContact CD1-CG 4.11Å; Y24-E28 HydrophobicContact CE1-CG 4.37Å; E25-E28 HydrophobicContact CB-CB 4.13Å; E25-E28 WeakPolarHBondContact O-CB 3.32Å; E25-E28 PolarHBondContact O-N 3.06Å; R26-E28 VanDerWaalsContact C-N 3.35Å; E28-A30 VanDerWaalsContact C-N 3.33Å; E28-A30 PolarHBondContact O-N 3.31Å; E28-M31 PolarHBondContact O-N 3.43Å; E28-K32 PolarHBondContact O-N 2.96Å; E28-K32 VanDerWaalsContact O-N 3.11Å
29L98.4Very high95.9Very high0 Ų060.9 Ų60.90%032%0.318CS..Hα-helixtrans-59.8-46.5174.9-174.357.2000110.5Y24 E25 R26 M31 K32 L33 L50 A53 F59 I76 I108Y24-L29 HydrophobicContact CD1-CB 4.33Å; Y24-L29 HydrophobicContact CD1-CD1 4.4Å; Y24-L29 HydrophobicContact CG-CB 4.4Å; Y24-L29 HydrophobicContact CG-CD1 4.3Å; E25-L29 PolarHBondContact O-N 3.38Å; R26-L29 PolarHBondContact O-N 3.42Å; L29-M31 VanDerWaalsContact C-N 3.34Å; L29-M31 PolarHBondContact O-N 3.11Å; L29-K32 WeakPolarHBondContact O-CA 3.37Å; L29-K32 WeakPolarHBondContact O-CB 3.43Å; L29-K32 PolarHBondContact O-N 3.44Å; L29-L33 HydrophobicContact CD1-CD1 4.25Å; L29-L33 HydrophobicContact CD1-CD2 4.07Å; L29-L33 HydrophobicContact CD1-CG 4Å; L29-L33 HydrophobicContact CD2-CD1 4.49Å; L29-L33 HydrophobicContact CG-CD1 3.87Å; L29-L33 HydrophobicContact CG-CG 4.08Å; L29-L33 VanDerWaalsContact O-CG 3.29Å; L29-L33 WeakPolarHBondContact O-CG 3.4Å; L29-L33 PolarHBondContact O-N 3.25Å; L29-L50 HydrophobicContact CB-CD2 3.92Å; L29-L50 HydrophobicContact CD2-CD2 3.78Å; L29-L50 HydrophobicContact CG-CD2 3.77Å; L29-A53 HydrophobicContact CD2-CB 4.31Å; L29-F59 HydrophobicContact CD2-CB 4.37Å; L29-F59 HydrophobicContact CD2-CD1 3.3Å; L29-F59 HydrophobicContact CD2-CE1 3.57Å; L29-F59 HydrophobicContact CD2-CG 3.92Å; L29-F59 HydrophobicContact CD2-CZ 4.4Å; L29-I76 HydrophobicContact CD1-CD1 3.85Å; L29-I76 HydrophobicContact CD2-CD1 3.89Å; L29-I108 HydrophobicContact CD1-CD1 3.4Å
30A98.4Very high96.9Very high0 Ų058.6 Ų58.60%031%0.313CS..Hα-helixtrans-51.4-51.3178.200000112.3R26 E28 K32 L33 E34 I46 L50 L144 M149R26-A30 WeakPolarHBondContact O-CB 3.38Å; R26-A30 PolarHBondContact O-N 3.13Å; E28-A30 VanDerWaalsContact C-N 3.33Å; E28-A30 PolarHBondContact O-N 3.31Å; A30-K32 VanDerWaalsContact C-N 3.28Å; A30-K32 PolarHBondContact O-N 2.83Å; A30-L33 PolarHBondContact O-N 3.11Å; A30-E34 WeakPolarHBondContact O-CB 3.44Å; A30-E34 PolarHBondContact O-N 3.49Å; A30-I46 HydrophobicContact CB-CG2 4.03Å; A30-L50 HydrophobicContact CB-CD1 3.75Å; A30-L50 HydrophobicContact CB-CD2 4.35Å; A30-L144 HydrophobicContact CB-CD2 3.68Å; A30-M149 HydrophobicContact CB-CE 3.96Å; A30-M149 HydrophobicContact CB-SD 3.73Å
31M97.6Very high97.5Very high88 Ų8856 Ų5643%0.43330%0.297SS..Hα-helixtrans-62.7-35.7177.9-70.7-176.3-67.800112.2C27 E28 L29 K35 M149C27-M31 WeakPolarHBondContact O-CE 3.45Å; C27-M31 WeakPolarHBondContact O-CG 3.29Å; C27-M31 PolarHBondContact O-N 2.92Å; C27-M31 VanDerWaalsContact O-N 3.13Å; E28-M31 PolarHBondContact O-N 3.43Å; L29-M31 VanDerWaalsContact C-N 3.34Å; L29-M31 PolarHBondContact O-N 3.11Å; M31-K35 VanDerWaalsContact O-CB 3.24Å; M31-K35 WeakPolarHBondContact O-CB 3.41Å; M31-K35 PolarHBondContact O-N 3.39Å; M31-M149 HydrophobicContact CG-SD 4.36Å
32K97.8Very high97.8Very high68 Ų6860.2 Ų60.230%0.29631%0.309SS..Hα-helixtrans-70-42.3179.5-164.3158.2-175177.90111.8Y24 E28 L29 A30 K35 A36 I108Y24-K32 HydrophobicContact CE1-CD 3.84Å; Y24-K32 PolarHBondContact OH-NZ 3.2Å; E28-K32 PolarHBondContact O-N 2.96Å; E28-K32 VanDerWaalsContact O-N 3.11Å; L29-K32 WeakPolarHBondContact O-CA 3.37Å; L29-K32 WeakPolarHBondContact O-CB 3.43Å; L29-K32 PolarHBondContact O-N 3.44Å; A30-K32 VanDerWaalsContact C-N 3.28Å; A30-K32 PolarHBondContact O-N 2.83Å; K32-K35 PolarHBondContact O-N 2.89Å; K32-A36 WeakPolarHBondContact O-CB 3.25Å; K32-A36 PolarHBondContact O-N 3.24Å; K32-I108 HydrophobicContact CD-CD1 3.98Å; K32-I108 HydrophobicContact CD-CG1 3.92Å; K32-I108 HydrophobicContact CG-CD1 4.25Å; K32-I108 HydrophobicContact CG-CG1 4.39Å
33L98.3Very high97.8Very high0 Ų061.1 Ų61.10%033%0.331CS..Hα-helixtrans-66.3-43.2175.4-60.4176.7000111.5L29 A30 A36 G37 L38 I46 W49 L50 F77 I112L29-L33 HydrophobicContact CD1-CD1 4.25Å; L29-L33 HydrophobicContact CD1-CD2 4.07Å; L29-L33 HydrophobicContact CD1-CG 4Å; L29-L33 HydrophobicContact CD2-CD1 4.49Å; L29-L33 HydrophobicContact CG-CD1 3.87Å; L29-L33 HydrophobicContact CG-CG 4.08Å; L29-L33 VanDerWaalsContact O-CG 3.29Å; L29-L33 WeakPolarHBondContact O-CG 3.4Å; L29-L33 PolarHBondContact O-N 3.25Å; A30-L33 PolarHBondContact O-N 3.11Å; L33-A36 PolarHBondContact O-N 3.5Å; L33-G37 PolarHBondContact O-N 3.49Å; L33-L38 HydrophobicContact CB-CB 4.39Å; L33-L38 HydrophobicContact CB-CD1 4.03Å; L33-L38 HydrophobicContact CD2-CD1 3.57Å; L33-L38 HydrophobicContact CG-CD1 4.27Å; L33-L38 WeakPolarHBondContact O-CB 3.24Å; L33-L38 PolarHBondContact O-N 3.25Å; L33-L38 VanDerWaalsContact O-N 3.11Å; L33-I46 HydrophobicContact CB-CD1 3.85Å; L33-W49 HydrophobicContact CD1-CB 3.8Å; L33-L50 HydrophobicContact CD1-CD2 4.01Å; L33-L50 HydrophobicContact CD1-CG 4.29Å; L33-F77 HydrophobicContact CD2-CE1 4.41Å; L33-F77 HydrophobicContact CD2-CZ 3.78Å; L33-I112 HydrophobicContact CD2-CD1 3.86Å; L33-I112 HydrophobicContact CD2-CG1 3.94Å
34E97.1Very high97.8Very high68 Ų6857.9 Ų57.932%0.31831%0.312SS..Hα-helixtrans-57.3-51.5173.8-176.772.7-14900110.7A30 A36 G37 N39 I46 M149A30-E34 WeakPolarHBondContact O-CB 3.44Å; A30-E34 PolarHBondContact O-N 3.49Å; E34-A36 PolarHBondContact O-N 2.98Å; E34-G37 WeakPolarHBondContact O-CA 3.41Å; E34-G37 PolarHBondContact O-N 3.39Å; E34-N39 PolarHBondContact OE1-ND2 2.03Å; E34-N39 VanDerWaalsContact OE2-CB 3.25Å; E34-N39 WeakPolarHBondContact OE2-CB 3.32Å; E34-N39 PolarHBondContact OE2-ND2 3.16Å; E34-I46 HydrophobicContact CB-CD1 4.32Å; E34-I46 HydrophobicContact CB-CG1 4.37Å; E34-I46 WeakPolarHBondContact OE2-CG1 3.44Å; E34-M149 HydrophobicContact CB-CE 3.97Å; E34-M149 HydrophobicContact CG-CE 4.31Å
35K96.9Very high97.8Very high194 Ų19459 Ų5984%0.84332%0.321SS*.Hα-helixtrans-62.3-29.1179.4-173.3175-178.9177.20112.8M31 K32 G37M31-K35 VanDerWaalsContact O-CB 3.24Å; M31-K35 WeakPolarHBondContact O-CB 3.41Å; M31-K35 PolarHBondContact O-N 3.39Å; K32-K35 PolarHBondContact O-N 2.89Å; K35-G37 PolarHBondContact O-N 3.44Å
36A97.3Very high97.8Very high27 Ų2752.3 Ų52.322%0.22329%0.29CS..THydrogen-bonded Turntrans-80.9-0174.700000113.6K32 L33 E34 I112K32-A36 WeakPolarHBondContact O-CB 3.25Å; K32-A36 PolarHBondContact O-N 3.24Å; L33-A36 PolarHBondContact O-N 3.5Å; E34-A36 PolarHBondContact O-N 2.98Å; A36-I112 HydrophobicContact CB-CD1 3.79Å; A36-I112 HydrophobicContact CB-CG2 3.93Å
37G96.9Very high97.8Very high44 Ų4451 Ų5145%0.45429%0.287SS..THydrogen-bonded Turntrans79.128.8174.800000114L33 E34 K35L33-G37 PolarHBondContact O-N 3.49Å; E34-G37 WeakPolarHBondContact O-CA 3.41Å; E34-G37 PolarHBondContact O-N 3.39Å; K35-G37 PolarHBondContact O-N 3.44Å
38L98.1Very high97.9Very high0 Ų050.6 Ų50.60%028%0.283CS..  trans-81.5-16.6176.9-75.4-177.5000114L33 G40 F41 I46 W49 I112 R116L33-L38 HydrophobicContact CB-CB 4.39Å; L33-L38 HydrophobicContact CB-CD1 4.03Å; L33-L38 HydrophobicContact CD2-CD1 3.57Å; L33-L38 HydrophobicContact CG-CD1 4.27Å; L33-L38 WeakPolarHBondContact O-CB 3.24Å; L33-L38 PolarHBondContact O-N 3.25Å; L33-L38 VanDerWaalsContact O-N 3.11Å; L38-G40 PolarHBondContact O-N 3.35Å; L38-G40 VanDerWaalsContact O-N 3.16Å; L38-F41 HydrophobicContact CD2-CB 4.26Å; L38-F41 HydrophobicContact CD2-CD1 4.32Å; L38-F41 HydrophobicContact CD2-CG 4.36Å; L38-F41 WeakPolarHBondContact O-CB 3.3Å; L38-F41 PolarHBondContact O-N 2.92Å; L38-I46 HydrophobicContact CB-CD1 3.99Å; L38-W49 HydrophobicContact CB-CG 4.36Å; L38-W49 HydrophobicContact CD1-CD2 3.9Å; L38-W49 HydrophobicContact CD1-CE3 4.23Å; L38-W49 HydrophobicContact CD1-CG 4.07Å; L38-W49 HydrophobicContact CD2-CD2 4.4Å; L38-W49 HydrophobicContact CD2-CH2 4.27Å; L38-W49 HydrophobicContact CD2-CZ2 3.75Å; L38-W49 PolarHBondContact O-NE1 3.37Å; L38-I112 HydrophobicContact CD1-CG1 4.38Å; L38-I112 HydrophobicContact CD1-CG2 3.93Å; L38-I112 HydrophobicContact CD2-CG2 4.27Å; L38-I112 HydrophobicContact CG-CG2 4.07Å; L38-R116 HydrophobicContact CD2-CG 3.46Å; L38-R116 VanDerWaalsContact CD2-CG 3.46Å
39N97.2Very high97.9Very high85 Ų8547.2 Ų47.246%0.45527%0.267SS..THydrogen-bonded Turntrans-66.6114.4178.2-167.24.6000111.1E34 F41 I46E34-N39 PolarHBondContact OE1-ND2 2.03Å; E34-N39 VanDerWaalsContact OE2-CB 3.25Å; E34-N39 WeakPolarHBondContact OE2-CB 3.32Å; E34-N39 PolarHBondContact OE2-ND2 3.16Å; N39-F41 PolarHBondContact O-N 3.32Å; N39-I46 HydrophobicContact CB-CD1 3.88Å; N39-I46 HydrophobicContact CB-CG1 3.77Å
40G97.4Very high97.9Very high44 Ų4447.2 Ų47.245%0.45427%0.267SS..THydrogen-bonded Turntrans773.9-174.900000114.2L38 K42 G43 Y44L38-G40 PolarHBondContact O-N 3.35Å; L38-G40 VanDerWaalsContact O-N 3.16Å; G40-K42 PolarHBondContact O-N 3.3Å; G40-K42 VanDerWaalsContact O-N 3.12Å; G40-G43 PolarHBondContact O-N 3.09Å; G40-Y44 CarbonylContact C-O 3.55Å; G40-Y44 VanDerWaalsContact CA-O 3.22Å; G40-Y44 WeakPolarHBondContact CA-O 3.49Å; G40-Y44 PolarHBondContact N-O 2.82Å
41F98.2Very high97.9Very high34 Ų3447.3 Ų47.315%0.14927%0.267CS..BIsolated β-bridgetrans-62.7118.8178-179.7-98.7000109.5L38 N39 G43 Y44 W49 R116 A119 S120L38-F41 HydrophobicContact CD2-CB 4.26Å; L38-F41 HydrophobicContact CD2-CD1 4.32Å; L38-F41 HydrophobicContact CD2-CG 4.36Å; L38-F41 WeakPolarHBondContact O-CB 3.3Å; L38-F41 PolarHBondContact O-N 2.92Å; N39-F41 PolarHBondContact O-N 3.32Å; F41-G43 PolarHBondContact O-N 3.04Å; F41-G43 VanDerWaalsContact O-N 3.12Å; F41-Y44 PolarHBondContact N-O 2.74Å; F41-Y44 WeakPolarHBondContact O-CD2 3.37Å; F41-Y44 PolarHBondContact O-N 2.82Å; F41-Y44 VanDerWaalsContact O-N 3.07Å; F41-W49 HydrophobicContact CD1-CZ2 4.06Å; F41-R116 HydrophobicContact CD1-CG 4.11Å; F41-R116 HydrophobicContact CE1-CB 3.75Å; F41-R116 HydrophobicContact CE1-CG 3.8Å; F41-R116 WeakPolarHBondContact CE1-O 3.02Å; F41-R116 HydrophobicContact CE2-CG 4.45Å; F41-R116 HydrophobicContact CZ-CB 3.75Å; F41-R116 HydrophobicContact CZ-CG 3.98Å; F41-A119 HydrophobicContact CE1-CB 4.26Å; F41-S120 WeakPolarHBondContact CZ-OG 3.27Å
42K97.8Very high98Very high129 Ų12943.1 Ų43.156%0.56125%0.246SC*.THydrogen-bonded Turntrans55.523.1-173.6-60.8-68.8-174.8173.20114.1G40 Y44 S120G40-K42 PolarHBondContact O-N 3.3Å; G40-K42 VanDerWaalsContact O-N 3.12Å; K42-Y44 HydrophobicContact CB-CD2 3.96Å; K42-Y44 HydrophobicContact CB-CE2 4.02Å; K42-S120 VanDerWaalsContact CE-OG 3.29Å; K42-S120 WeakPolarHBondContact CE-OG 3.3Å
43G97.5Very high98Very high66 Ų6639.9 Ų39.968%0.6823%0.232SC*.THydrogen-bonded Turntrans87.63.8-179.100000114.9G40 F41G40-G43 PolarHBondContact O-N 3.09Å; F41-G43 PolarHBondContact O-N 3.04Å; F41-G43 VanDerWaalsContact O-N 3.12Å
44Y98.4Very high98Very high43 Ų4343.5 Ų43.517%0.16925%0.249CC..BIsolated β-bridgetrans-93.8133.8177.9-57.5-68.6000111.5G40 F41 K42 D48 M125 W131G40-Y44 CarbonylContact C-O 3.55Å; G40-Y44 VanDerWaalsContact CA-O 3.22Å; G40-Y44 WeakPolarHBondContact CA-O 3.49Å; G40-Y44 PolarHBondContact N-O 2.82Å; F41-Y44 PolarHBondContact N-O 2.74Å; F41-Y44 WeakPolarHBondContact O-CD2 3.37Å; F41-Y44 PolarHBondContact O-N 2.82Å; F41-Y44 VanDerWaalsContact O-N 3.07Å; K42-Y44 HydrophobicContact CB-CD2 3.96Å; K42-Y44 HydrophobicContact CB-CE2 4.02Å; Y44-D48 HydrophobicContact CD1-CB 4.49Å; Y44-M125 HydrophobicContact CD1-CB 4.34Å; Y44-M125 HydrophobicContact CD1-CG 3.9Å; Y44-M125 HydrophobicContact CD1-SD 3.41Å; Y44-M125 WeakPolarHBondContact CD1-SD 3.27Å; Y44-M125 HydrophobicContact CD2-CG 3.78Å; Y44-M125 HydrophobicContact CD2-SD 3.91Å; Y44-M125 HydrophobicContact CE1-CB 3.79Å; Y44-M125 HydrophobicContact CE1-CG 3.78Å; Y44-M125 HydrophobicContact CE1-SD 3.88Å; Y44-M125 HydrophobicContact CE2-CB 4.22Å; Y44-M125 HydrophobicContact CE2-CG 3.66Å; Y44-M125 HydrophobicContact CE2-SD 4.33Å; Y44-M125 HydrophobicContact CG-CG 3.89Å; Y44-M125 HydrophobicContact CG-SD 3.42Å; Y44-M125 PolarHBondContact OH-N 3.16Å; Y44-W131 HydrophobicContact CD1-CZ2 4.29Å; Y44-W131 HydrophobicContact CE1-CH2 4.14Å; Y44-W131 AromaticContact CE1-CZ2 3.79Å; Y44-W131 HydrophobicContact CE1-CZ2 3.79Å
45S98.2Very high98.1Very high31 Ų3145.2 Ų45.222%0.21725%0.253CS..  trans-80.3168.9177.266.90000112E47 D48 W49S45-E47 WeakPolarHBondContact CB-OE2 3.41Å; S45-E47 PolarHBondContact O-N 2.91Å; S45-E47 PolarHBondContact OG-OE2 3.47Å; S45-D48 WeakPolarHBondContact CB-OD2 3.37Å; S45-D48 PolarHBondContact N-OD2 3.04Å; S45-D48 WeakPolarHBondContact O-CB 3.47Å; S45-D48 PolarHBondContact O-N 2.94Å; S45-D48 PolarHBondContact OG-N 2.54Å; S45-D48 PolarHBondContact OG-OD2 3.31Å; S45-W49 PolarHBondContact O-N 2.68Å
46I98.4Very high98.2Very high1 Ų137.5 Ų37.51%0.00522%0.221CC..Hα-helixtrans-62.9-34.6173.2-65.7-55.1000111.3A30 L33 E34 L38 N39 D48 W49 L50 L144 M149A30-I46 HydrophobicContact CB-CG2 4.03Å; L33-I46 HydrophobicContact CB-CD1 3.85Å; E34-I46 HydrophobicContact CB-CD1 4.32Å; E34-I46 HydrophobicContact CB-CG1 4.37Å; E34-I46 WeakPolarHBondContact OE2-CG1 3.44Å; L38-I46 HydrophobicContact CB-CD1 3.99Å; N39-I46 HydrophobicContact CB-CD1 3.88Å; N39-I46 HydrophobicContact CB-CG1 3.77Å; I46-D48 VanDerWaalsContact C-N 3.28Å; I46-D48 PolarHBondContact O-N 2.72Å; I46-W49 PolarHBondContact O-N 2.79Å; I46-L50 HydrophobicContact CG2-CD1 3.81Å; I46-L50 HydrophobicContact CG2-CG 4.07Å; I46-L50 WeakPolarHBondContact O-CB 2.99Å; I46-L50 VanDerWaalsContact O-CG 3.32Å; I46-L50 WeakPolarHBondContact O-CG 3.43Å; I46-L50 PolarHBondContact O-N 3.37Å; I46-L144 HydrophobicContact CG2-CD2 4Å; I46-M149 HydrophobicContact CG2-CE 4.22Å
47E98.4Very high98.3Very high43 Ų4336.8 Ų36.820%0.20121%0.214CC..Hα-helixtrans-58.9-39.3175-63.786.9148.700112.1S45 L50 C51 L140 W143 L144S45-E47 WeakPolarHBondContact CB-OE2 3.41Å; S45-E47 PolarHBondContact O-N 2.91Å; S45-E47 PolarHBondContact OG-OE2 3.47Å; E47-L50 PolarHBondContact O-N 3.17Å; E47-C51 VanDerWaalsContact O-CB 3.27Å; E47-C51 WeakPolarHBondContact O-CB 3.47Å; E47-C51 PolarHBondContact O-N 2.87Å; E47-L140 HydrophobicContact CB-CB 3.65Å; E47-L140 HydrophobicContact CG-CB 4.45Å; E47-L140 WeakPolarHBondContact CG-O 3.16Å; E47-W143 HydrophobicContact CB-CB 4.09Å; E47-W143 HydrophobicContact CG-CB 4.12Å; E47-L144 VanDerWaalsContact CD-CD1 3.4Å; E47-L144 HydrophobicContact CG-CB 4.45Å; E47-L144 HydrophobicContact CG-CD1 4.14Å; E47-L144 HydrophobicContact CG-CG 3.86Å; E47-L144 VanDerWaalsContact OE1-CD1 3.3Å; E47-L144 WeakPolarHBondContact OE1-CD1 3.02Å
48D98.7Very high98.3Very high27 Ų2736.4 Ų36.414%0.14421%0.21CC..Hα-helixtrans-61.9-47.8175.1-67.3-67.4000111.2Y44 S45 I46 C51 M52 M125 L140Y44-D48 HydrophobicContact CD1-CB 4.49Å; S45-D48 WeakPolarHBondContact CB-OD2 3.37Å; S45-D48 PolarHBondContact N-OD2 3.04Å; S45-D48 WeakPolarHBondContact O-CB 3.47Å; S45-D48 PolarHBondContact O-N 2.94Å; S45-D48 PolarHBondContact OG-N 2.54Å; S45-D48 PolarHBondContact OG-OD2 3.31Å; I46-D48 VanDerWaalsContact C-N 3.28Å; I46-D48 PolarHBondContact O-N 2.72Å; D48-C51 PolarHBondContact O-N 3.37Å; D48-M52 WeakPolarHBondContact O-CB 3.48Å; D48-M52 PolarHBondContact O-N 2.92Å; D48-M125 HydrophobicContact CB-CE 4.41Å; D48-M125 HydrophobicContact CB-SD 3.97Å; D48-L140 WeakPolarHBondContact OD1-CD1 3.29Å
49W98.7Very high98.4Very high0 Ų037 Ų370%021%0.212CC..Hα-helixtrans-65.3-40.2179.4-68.9105.5000112.6L33 L38 F41 S45 I46 M52 A53 A115 A119 M125 W128L33-W49 HydrophobicContact CD1-CB 3.8Å; L38-W49 HydrophobicContact CB-CG 4.36Å; L38-W49 HydrophobicContact CD1-CD2 3.9Å; L38-W49 HydrophobicContact CD1-CE3 4.23Å; L38-W49 HydrophobicContact CD1-CG 4.07Å; L38-W49 HydrophobicContact CD2-CD2 4.4Å; L38-W49 HydrophobicContact CD2-CH2 4.27Å; L38-W49 HydrophobicContact CD2-CZ2 3.75Å; L38-W49 PolarHBondContact O-NE1 3.37Å; F41-W49 HydrophobicContact CD1-CZ2 4.06Å; S45-W49 PolarHBondContact O-N 2.68Å; I46-W49 PolarHBondContact O-N 2.79Å; W49-M52 HydrophobicContact CE3-CE 3.71Å; W49-M52 HydrophobicContact CZ3-CE 3.85Å; W49-A53 VanDerWaalsContact O-CB 3.32Å; W49-A53 WeakPolarHBondContact O-CB 3.41Å; W49-A53 PolarHBondContact O-N 2.97Å; W49-A115 HydrophobicContact CZ3-CB 3.99Å; W49-A119 HydrophobicContact CH2-CB 3.59Å; W49-A119 HydrophobicContact CZ2-CB 4.01Å; W49-M125 HydrophobicContact CD2-CE 4.36Å; W49-M125 HydrophobicContact CE3-CE 4.2Å; W49-W128 HydrophobicContact CZ3-CH2 4.22Å
50L98.8Very high98.4Very high0 Ų034.6 Ų34.60%020%0.2CC..Hα-helixtrans-65.9-43.9175.4-72.3172.5000111.6R26 L29 A30 L33 I46 E47 A53 H54 F59 W143 L144R26-L50 HydrophobicContact CG-CD1 4.38Å; L29-L50 HydrophobicContact CB-CD2 3.92Å; L29-L50 HydrophobicContact CD2-CD2 3.78Å; L29-L50 HydrophobicContact CG-CD2 3.77Å; A30-L50 HydrophobicContact CB-CD1 3.75Å; A30-L50 HydrophobicContact CB-CD2 4.35Å; L33-L50 HydrophobicContact CD1-CD2 4.01Å; L33-L50 HydrophobicContact CD1-CG 4.29Å; I46-L50 HydrophobicContact CG2-CD1 3.81Å; I46-L50 HydrophobicContact CG2-CG 4.07Å; I46-L50 WeakPolarHBondContact O-CB 2.99Å; I46-L50 VanDerWaalsContact O-CG 3.32Å; I46-L50 WeakPolarHBondContact O-CG 3.43Å; I46-L50 PolarHBondContact O-N 3.37Å; E47-L50 PolarHBondContact O-N 3.17Å; L50-A53 PolarHBondContact O-N 3.16Å; L50-H54 WeakPolarHBondContact O-CB 3.45Å; L50-H54 PolarHBondContact O-N 3.36Å; L50-F59 HydrophobicContact CD2-CE1 4.31Å; L50-F59 HydrophobicContact CD2-CZ 4.28Å; L50-F59 VanDerWaalsContact O-CE1 3.24Å; L50-F59 WeakPolarHBondContact O-CE1 3.41Å; L50-W143 HydrophobicContact CB-CB 4.23Å; L50-W143 HydrophobicContact CB-CD2 4.19Å; L50-W143 HydrophobicContact CB-CE3 3.91Å; L50-W143 HydrophobicContact CB-CG 4.35Å; L50-W143 HydrophobicContact CD1-CB 4.16Å; L50-W143 WeakPolarHBondContact CD1-O 3.41Å; L50-L144 HydrophobicContact CD1-CD2 3.88Å
51C98.8Very high98.5Very high1 Ų132.5 Ų32.51%0.00718%0.178CC..Hα-helixtrans-60.5-48.8177.3-1750000111E47 D48 H54 Y55 C135 L140 W143E47-C51 VanDerWaalsContact O-CB 3.27Å; E47-C51 WeakPolarHBondContact O-CB 3.47Å; E47-C51 PolarHBondContact O-N 2.87Å; D48-C51 PolarHBondContact O-N 3.37Å; C51-H54 PolarHBondContact O-N 3.01Å; C51-Y55 WeakPolarHBondContact O-CD2 3.35Å; C51-Y55 PolarHBondContact O-N 3.02Å; C51-Y55 VanDerWaalsContact O-N 3.16Å; C51-C135 HydrophobicContact CB-CB 3.78Å; C51-C135 WeakPolarHBondContact CB-SG 2.86Å; C51-C135 VanDerWaalsContact SG-CA 3.5Å; C51-C135 WeakPolarHBondContact SG-CB 3.48Å; C51-C135 CovalentContact SG-SG 2.03Å; C51-C135 PolarHBondContact SG-SG 2.96Å; C51-L140 HydrophobicContact CB-CD1 4.09Å; C51-L140 HydrophobicContact CB-CD2 4.2Å; C51-W143 HydrophobicContact CB-CD2 4.35Å; C51-W143 HydrophobicContact CB-CZ2 4.12Å
52M98.8Very high98.5Very high0 Ų033.6 Ų33.60%019%0.19CC..Hα-helixtrans-58-55.4177.3-179.7-86.4-75.500111.1D48 W49 H54 Y55 E56 F77 M125 W128 W131D48-M52 WeakPolarHBondContact O-CB 3.48Å; D48-M52 PolarHBondContact O-N 2.92Å; W49-M52 HydrophobicContact CE3-CE 3.71Å; W49-M52 HydrophobicContact CZ3-CE 3.85Å; M52-H54 PolarHBondContact O-N 2.77Å; M52-H54 VanDerWaalsContact O-N 3.16Å; M52-Y55 PolarHBondContact O-N 2.98Å; M52-Y55 VanDerWaalsContact O-N 3.11Å; M52-E56 HydrophobicContact CG-CG 4.05Å; M52-E56 WeakPolarHBondContact O-CB 3.37Å; M52-E56 VanDerWaalsContact O-CG 3.3Å; M52-E56 WeakPolarHBondContact O-CG 3.39Å; M52-E56 PolarHBondContact O-N 3.06Å; M52-E56 HydrophobicContact SD-CB 4.41Å; M52-E56 HydrophobicContact SD-CG 3.66Å; M52-F77 HydrophobicContact CE-CB 4.26Å; M52-F77 HydrophobicContact CE-CD1 3.6Å; M52-F77 HydrophobicContact CE-CE1 4.29Å; M52-F77 HydrophobicContact CE-CG 4.18Å; M52-F77 HydrophobicContact SD-CB 4.46Å; M52-F77 HydrophobicContact SD-CD1 4.12Å; M52-M125 HydrophobicContact CB-CE 3.54Å; M52-M125 HydrophobicContact CE-CE 4.18Å; M52-M125 HydrophobicContact CG-CE 3.95Å; M52-W128 HydrophobicContact CE-CD2 4.15Å; M52-W128 HydrophobicContact CE-CH2 4.25Å; M52-W128 HydrophobicContact CE-CZ2 3.94Å; M52-W128 HydrophobicContact CG-CB 3.99Å; M52-W128 HydrophobicContact CG-CD2 4.17Å; M52-W128 HydrophobicContact CG-CG 3.86Å; M52-W128 HydrophobicContact SD-CD2 4.17Å; M52-W128 HydrophobicContact SD-CG 4.05Å; M52-W131 HydrophobicContact CB-CB 4.11Å; M52-W131 HydrophobicContact CB-CG 4.43Å; M52-W131 HydrophobicContact CG-CB 4Å
53A98.8Very high98.5Very high0 Ų031.3 Ų31.30%018%0.18CC..Hα-helixtrans-60-32.6-177.400000113L29 W49 L50 S57 G58 F59 I76 F77L29-A53 HydrophobicContact CD2-CB 4.31Å; W49-A53 VanDerWaalsContact O-CB 3.32Å; W49-A53 WeakPolarHBondContact O-CB 3.41Å; W49-A53 PolarHBondContact O-N 2.97Å; L50-A53 PolarHBondContact O-N 3.16Å; A53-S57 PolarHBondContact O-N 3.49Å; A53-S57 PolarHBondContact O-OG 2.93Å; A53-G58 PolarHBondContact O-N 3.35Å; A53-F59 HydrophobicContact CB-CD1 3.92Å; A53-F59 HydrophobicContact CB-CE1 3.95Å; A53-I76 HydrophobicContact CB-CG1 4.41Å; A53-F77 HydrophobicContact CB-CD1 3.93Å; A53-F77 HydrophobicContact CB-CE1 3.88Å
54H98.7Very high98.5Very high77 Ų7730.2 Ų30.236%0.35616%0.16SC..Hα-helixtrans-66.4-48.3175.5179.577000112.4L50 C51 M52 E56 G58 F59 W143L50-H54 WeakPolarHBondContact O-CB 3.45Å; L50-H54 PolarHBondContact O-N 3.36Å; C51-H54 PolarHBondContact O-N 3.01Å; M52-H54 PolarHBondContact O-N 2.77Å; M52-H54 VanDerWaalsContact O-N 3.16Å; H54-E56 VanDerWaalsContact C-N 3.3Å; H54-G58 VanDerWaalsContact O-CA 3.25Å; H54-G58 WeakPolarHBondContact O-CA 3.46Å; H54-G58 PolarHBondContact O-N 2.97Å; H54-F59 HydrophobicContact CB-CD1 4.38Å; H54-F59 HydrophobicContact CB-CE1 3.69Å; H54-F59 HydrophobicContact CB-CE2 4.4Å; H54-F59 HydrophobicContact CB-CZ 3.71Å; H54-W143 HydrophobicContact CB-CH2 3.33Å; H54-W143 HydrophobicContact CB-CZ2 4.17Å; H54-W143 HydrophobicContact CB-CZ3 3.74Å; H54-W143 AromaticContact CD2-CH2 3.55Å; H54-W143 AromaticContact CG-CH2 3.33Å; H54-W143 AromaticContact CG-CZ3 3.94Å; H54-W143 AromaticContact ND1-CH2 3.99Å
55Y98.6Very high98.5Very high103 Ų10332 Ų3240%0.40417%0.173SC..Hα-helixtrans-75.5-21.8-178.1-78.7-75.4000113.2C51 M52 H134 W143C51-Y55 WeakPolarHBondContact O-CD2 3.35Å; C51-Y55 PolarHBondContact O-N 3.02Å; C51-Y55 VanDerWaalsContact O-N 3.16Å; M52-Y55 PolarHBondContact O-N 2.98Å; M52-Y55 VanDerWaalsContact O-N 3.11Å; Y55-H134 HydrophobicContact CD1-CB 4Å; Y55-H134 AromaticContact CD1-CD2 3.47Å; Y55-H134 VanDerWaalsContact CD1-CD2 3.47Å; Y55-H134 WeakPolarHBondContact CD1-CD2 3.41Å; Y55-H134 AromaticContact CD1-CG 3.64Å; Y55-H134 AromaticContact CD1-NE2 3.87Å; Y55-H134 HydrophobicContact CD2-CB 3.49Å; Y55-H134 VanDerWaalsContact CD2-CB 3.49Å; Y55-H134 HydrophobicContact CE1-CB 3.9Å; Y55-H134 AromaticContact CE1-CD2 3.9Å; Y55-H134 AromaticContact CE1-CG 3.62Å; Y55-H134 AromaticContact CE1-ND1 3.77Å; Y55-H134 HydrophobicContact CE2-CB 3.39Å; Y55-H134 HydrophobicContact CG-CB 3.8Å; Y55-H134 AromaticContact CG-CD2 3.69Å; Y55-H134 AromaticContact CG-CG 3.87Å; Y55-H134 AromaticContact CZ-CG 3.83Å; Y55-W143 HydrophobicContact CE2-CZ2 4.37Å
56E98.5Very high98.5Very high33 Ų3336.9 Ų36.915%0.15419%0.192CC..Hα-helixtrans-79.4-45.9174.4-69.7-56.4161.900112.5M52 H54 F63 Q78 W128 S130M52-E56 HydrophobicContact CG-CG 4.05Å; M52-E56 WeakPolarHBondContact O-CB 3.37Å; M52-E56 VanDerWaalsContact O-CG 3.3Å; M52-E56 WeakPolarHBondContact O-CG 3.39Å; M52-E56 PolarHBondContact O-N 3.06Å; M52-E56 HydrophobicContact SD-CB 4.41Å; M52-E56 HydrophobicContact SD-CG 3.66Å; H54-E56 VanDerWaalsContact C-N 3.3Å; E56-F63 WeakPolarHBondContact O-CE1 3.3Å; E56-Q78 HydrophobicContact CB-CB 4Å; E56-Q78 HydrophobicContact CB-CG 3.65Å; E56-Q78 HydrophobicContact CG-CB 4.35Å; E56-Q78 HydrophobicContact CG-CG 4.49Å; E56-Q78 VanDerWaalsContact O-CG 3.3Å; E56-Q78 WeakPolarHBondContact O-CG 3.29Å; E56-W128 WeakPolarHBondContact OE1-CB 3.45Å; E56-S130 WeakPolarHBondContact OE1-CB 3.24Å; E56-S130 PolarHBondContact OE1-OG 2.76Å; E56-S130 VanDerWaalsContact OE1-OG 3.08Å
57S98.7Very high98.5Very high12 Ų1239 Ų398%0.08420%0.203CC..Hα-helixtrans-136.9-3.3-170.465.80000115.4A53 F59 D60 I76A53-S57 PolarHBondContact O-N 3.49Å; A53-S57 PolarHBondContact O-OG 2.93Å; S57-F59 PolarHBondContact O-N 2.96Å; S57-F59 PolarHBondContact OG-N 2.88Å; S57-D60 WeakPolarHBondContact O-CB 3.32Å; S57-D60 PolarHBondContact O-N 3.23Å; S57-D60 VanDerWaalsContact O-N 3.16Å; S57-I76 WeakPolarHBondContact OG-CA 3.24Å; S57-I76 PolarHBondContact OG-O 3.16Å
58G98.6Very high98.3Very high35 Ų3543.7 Ų43.736%0.36124%0.237SC..THydrogen-bonded Turntrans62.224.2-169.100000113.2A53 H54 D60A53-G58 PolarHBondContact O-N 3.35Å; H54-G58 VanDerWaalsContact O-CA 3.25Å; H54-G58 WeakPolarHBondContact O-CA 3.46Å; H54-G58 PolarHBondContact O-N 2.97Å; G58-D60 VanDerWaalsContact C-N 3.3Å
59F98.8Very high98.1Very high13 Ų1348.1 Ų48.16%0.05726%0.261CS..THydrogen-bonded Turntrans70.315.1-173.4-47.9-42.9000116I23 Y24 R26 L29 L50 A53 H54 S57 I76 W143I23-F59 WeakPolarHBondContact CA-O 3.08Å; Y24-F59 PolarHBondContact N-O 3.15Å; Y24-F59 WeakPolarHBondContact O-CB 3.3Å; Y24-F59 WeakPolarHBondContact O-CD2 3.05Å; R26-F59 HydrophobicContact CB-CE2 3.99Å; R26-F59 HydrophobicContact CG-CE2 4.39Å; L29-F59 HydrophobicContact CD2-CB 4.37Å; L29-F59 HydrophobicContact CD2-CD1 3.3Å; L29-F59 HydrophobicContact CD2-CE1 3.57Å; L29-F59 HydrophobicContact CD2-CG 3.92Å; L29-F59 HydrophobicContact CD2-CZ 4.4Å; L50-F59 HydrophobicContact CD2-CE1 4.31Å; L50-F59 HydrophobicContact CD2-CZ 4.28Å; L50-F59 VanDerWaalsContact O-CE1 3.24Å; L50-F59 WeakPolarHBondContact O-CE1 3.41Å; A53-F59 HydrophobicContact CB-CD1 3.92Å; A53-F59 HydrophobicContact CB-CE1 3.95Å; H54-F59 HydrophobicContact CB-CD1 4.38Å; H54-F59 HydrophobicContact CB-CE1 3.69Å; H54-F59 HydrophobicContact CB-CE2 4.4Å; H54-F59 HydrophobicContact CB-CZ 3.71Å; S57-F59 PolarHBondContact O-N 2.96Å; S57-F59 PolarHBondContact OG-N 2.88Å; F59-I76 HydrophobicContact CB-CD1 4.5Å; F59-W143 HydrophobicContact CE2-CZ3 4.27Å; F59-W143 HydrophobicContact CZ-CE3 4.24Å; F59-W143 AromaticContact CZ-CZ3 3.68Å; F59-W143 HydrophobicContact CZ-CZ3 3.68Å
60D98.6Very high98Very high35 Ų3550.1 Ų50.119%0.18728%0.281CS..BIsolated β-bridgetrans-86116.2177.4-173.4-7.2000111.5I23 S57 G58 S62 F63I23-D60 HydrophobicContact CG1-CB 3.91Å; S57-D60 WeakPolarHBondContact O-CB 3.32Å; S57-D60 PolarHBondContact O-N 3.23Å; S57-D60 VanDerWaalsContact O-N 3.16Å; G58-D60 VanDerWaalsContact C-N 3.3Å; D60-S62 PolarHBondContact O-N 3.25Å; D60-S62 WeakPolarHBondContact OD1-CB 3.25Å; D60-S62 PolarHBondContact OD1-N 2.78Å; D60-S62 PolarHBondContact OD1-OG 3.08Å; D60-S62 PolarHBondContact OD2-OG 3.12Å; D60-F63 HydrophobicContact CB-CB 4.15Å; D60-F63 WeakPolarHBondContact O-CB 3.17Å; D60-F63 PolarHBondContact O-N 3.38Å
61T98.6Very high98Very high0 Ų050.1 Ų50.10%028%0.282CS..THydrogen-bonded Turntrans-71.1-17.6176.967.80000113.1K22 Y24 F63 G75 I76 L104 N105 I108K22-T61 PolarHBondContact N-OG1 2.95Å; K22-T61 WeakPolarHBondContact O-CG2 3.43Å; K22-T61 PolarHBondContact O-N 3.27Å; K22-T61 PolarHBondContact O-OG1 3.41Å; Y24-T61 HydrophobicContact CD2-CG2 4Å; Y24-T61 HydrophobicContact CE2-CG2 3.75Å; T61-F63 VanDerWaalsContact C-N 3.35Å; T61-G75 WeakPolarHBondContact O-CA 3.43Å; T61-I76 HydrophobicContact CG2-CB 4.26Å; T61-I76 HydrophobicContact CG2-CD1 4.36Å; T61-L104 VanDerWaalsContact O-CA 3.3Å; T61-L104 WeakPolarHBondContact O-CA 3.4Å; T61-N105 WeakPolarHBondContact CB-O 3.41Å; T61-N105 PolarHBondContact OG1-O 3.2Å; T61-I108 HydrophobicContact CG2-CG2 3.51Å
62S97.8Very high98Very high57 Ų5750.5 Ų50.540%0.39928%0.284SS..THydrogen-bonded Turntrans-88.9-2.2177.363.20000113.9D60 V64D60-S62 PolarHBondContact O-N 3.25Å; D60-S62 WeakPolarHBondContact OD1-CB 3.25Å; D60-S62 PolarHBondContact OD1-N 2.78Å; D60-S62 PolarHBondContact OD1-OG 3.08Å; D60-S62 PolarHBondContact OD2-OG 3.12Å; S62-V64 PolarHBondContact O-N 3.14Å
63F98.3Very high98Very high80 Ų8052.3 Ų52.335%0.35129%0.292SS..  trans-67.6127.8-173.8-166.4-113.9000111.3E56 D60 T61 D65 G75 Q78E56-F63 WeakPolarHBondContact O-CE1 3.3Å; D60-F63 HydrophobicContact CB-CB 4.15Å; D60-F63 WeakPolarHBondContact O-CB 3.17Å; D60-F63 PolarHBondContact O-N 3.38Å; T61-F63 VanDerWaalsContact C-N 3.35Å; F63-D65 HydrophobicContact CE1-CB 4.27Å; F63-G75 PolarHBondContact O-N 3.23Å; F63-Q78 VanDerWaalsContact CD1-CD 3.42Å; F63-Q78 HydrophobicContact CD1-CG 4.29Å; F63-Q78 PolarHBondContact O-NE2 3.03Å; F63-Q78 VanDerWaalsContact O-NE2 3.11Å
64V98.4Very high98Very high44 Ų4453.4 Ų53.427%0.26730%0.297SS..EExtended strand (participates in β ladder)trans-131.6126.1175.9177.70000108.1S62 E73 Y74 L104S62-V64 PolarHBondContact O-N 3.14Å; V64-E73 VanDerWaalsContact CA-O 3.28Å; V64-E73 WeakPolarHBondContact CA-O 3.43Å; V64-Y74 HydrophobicContact CG1-CE1 4.28Å; V64-Y74 HydrophobicContact CG2-CD1 4.01Å; V64-Y74 HydrophobicContact CG2-CE1 4.3Å; V64-L104 HydrophobicContact CG2-CD1 3.92Å; V64-L104 HydrophobicContact CG2-CD2 3.64Å; V64-L104 HydrophobicContact CG2-CG 4.45Å
65D98.1Very high98Very high81 Ų8149.8 Ų49.843%0.43328%0.28SS..EExtended strand (participates in β ladder)trans-114148.8171.6-164.317000110.7F63 S72 E73F63-D65 HydrophobicContact CE1-CB 4.27Å; D65-S72 CarbonylContact O-C 3.53Å; D65-S72 WeakPolarHBondContact O-CA 3.42Å; D65-S72 WeakPolarHBondContact O-CB 3.4Å; D65-E73 HydrophobicContact CB-CB 4.3Å; D65-E73 PolarHBondContact N-O 2.99Å; D65-E73 VanDerWaalsContact N-O 3.15Å; D65-E73 PolarHBondContact O-N 3.4Å
66H98Very high98Very high133 Ų13344.9 Ų44.962%0.61626%0.261SS*.EExtended strand (participates in β ladder)trans-115.7120.8-173.9-63.7-61.1000110.9S72H66-S72 PolarHBondContact ND1-OG 3.37Å
67N97.3Very high98Very high45 Ų4543.3 Ų43.324%0.24125%0.253CS..  trans-86.2150.3-178.4-68-41.8000111.8D69 G70 S71 E73 N80N67-D69 WeakPolarHBondContact CB-OD1 3.3Å; N67-D69 PolarHBondContact O-N 2.61Å; N67-D69 VanDerWaalsContact O-N 3.14Å; N67-G70 PolarHBondContact O-N 3.12Å; N67-S71 WeakPolarHBondContact CB-OG 3.33Å; N67-S71 PolarHBondContact N-O 3.07Å; N67-S71 PolarHBondContact ND2-OG 3.09Å; N67-E73 PolarHBondContact ND2-OE1 3.36Å; N67-N80 PolarHBondContact ND2-ND2 3.46Å; N67-N80 VanDerWaalsContact ND2-ND2 3.15Å
68P96.1Very high98Very high141 Ų14143.1 Ų43.192%0.91625%0.251SS*.THydrogen-bonded Turntrans-60.9-22.3177.8-25.134.7000114.9G70P68-G70 PolarHBondContact O-N 2.94Å
69D94.6Very high98Very high120 Ų12041.5 Ų41.564%0.64223%0.234SC*.THydrogen-bonded Turntrans-80.5-0.2177.470.3-6.4000113.4N67 S71N67-D69 WeakPolarHBondContact CB-OD1 3.3Å; N67-D69 PolarHBondContact O-N 2.61Å; N67-D69 VanDerWaalsContact O-N 3.14Å; D69-S71 VanDerWaalsContact C-N 3.32Å; D69-S71 VanDerWaalsContact OD1-CB 3.31Å; D69-S71 WeakPolarHBondContact OD1-CB 3.49Å; D69-S71 PolarHBondContact OD1-N 3.29Å; D69-S71 PolarHBondContact OD1-OG 3.34Å; D69-S71 PolarHBondContact OD2-OG 3.33Å
70G95.5Very high98Very high42 Ų4241.7 Ų41.743%0.43324%0.236SC..SBendtrans84.90.5-179.100000114.3N67 P68 T90N67-G70 PolarHBondContact O-N 3.12Å; P68-G70 PolarHBondContact O-N 2.94Å; G70-T90 PolarHBondContact O-OG1 3.04Å
71S98.2Very high98Very high1 Ų140 Ų401%0.00723%0.227CC..  trans-75.3167.9163.871.50000110.8N67 D69 N80 S81N67-S71 WeakPolarHBondContact CB-OG 3.33Å; N67-S71 PolarHBondContact N-O 3.07Å; N67-S71 PolarHBondContact ND2-OG 3.09Å; D69-S71 VanDerWaalsContact C-N 3.32Å; D69-S71 VanDerWaalsContact OD1-CB 3.31Å; D69-S71 WeakPolarHBondContact OD1-CB 3.49Å; D69-S71 PolarHBondContact OD1-N 3.29Å; D69-S71 PolarHBondContact OD1-OG 3.34Å; D69-S71 PolarHBondContact OD2-OG 3.33Å; S71-N80 PolarHBondContact OG-ND2 3.21Å; S71-S81 WeakPolarHBondContact CA-OG 3.3Å
72S98.7Very high98Very high9 Ų941 Ų416%0.06324%0.235CC..EExtended strand (participates in β ladder)trans-143.4152.4173.6-53.70000109.7D65 H66 Y74 N80 S81D65-S72 CarbonylContact O-C 3.53Å; D65-S72 WeakPolarHBondContact O-CA 3.42Å; D65-S72 WeakPolarHBondContact O-CB 3.4Å; H66-S72 PolarHBondContact ND1-OG 3.37Å; S72-Y74 VanDerWaalsContact CB-CE2 3.49Å; S72-Y74 VanDerWaalsContact O-CD2 3.31Å; S72-Y74 WeakPolarHBondContact O-CD2 3.35Å; S72-Y74 VanDerWaalsContact O-CE2 3.25Å; S72-Y74 WeakPolarHBondContact O-CE2 3.5Å; S72-N80 CarbonylContact O-C 3.47Å; S72-N80 WeakPolarHBondContact O-CA 3.43Å; S72-S81 PolarHBondContact N-OG 2.84Å; S72-S81 PolarHBondContact O-N 2.75Å; S72-S81 PolarHBondContact O-OG 3.11Å
73E98.6Very high98Very high37 Ų3744.8 Ų44.817%0.17324%0.241CC..EExtended strand (participates in β ladder)trans-98.8136.1177.9-56.4-55.9159.800109.7V64 D65 N67 Q78 N80V64-E73 VanDerWaalsContact CA-O 3.28Å; V64-E73 WeakPolarHBondContact CA-O 3.43Å; D65-E73 HydrophobicContact CB-CB 4.3Å; D65-E73 PolarHBondContact N-O 2.99Å; D65-E73 VanDerWaalsContact N-O 3.15Å; D65-E73 PolarHBondContact O-N 3.4Å; N67-E73 PolarHBondContact ND2-OE1 3.36Å; E73-Q78 HydrophobicContact CB-CB 3.87Å; E73-Q78 HydrophobicContact CB-CG 4.28Å; E73-Q78 HydrophobicContact CG-CB 4.47Å; E73-N80 PolarHBondContact OE1-ND2 3.15Å; E73-N80 WeakPolarHBondContact OE2-CA 3.22Å; E73-N80 WeakPolarHBondContact OE2-CB 3.08Å; E73-N80 PolarHBondContact OE2-N 3.26Å
74Y98.8Very high98Very high24 Ų2442.7 Ų42.79%0.09423%0.231CC..EExtended strand (participates in β ladder)trans-125136.7-172.4-67.1-100.6000112.9V64 S72 Q78 L79 N87 C100 L104V64-Y74 HydrophobicContact CG1-CE1 4.28Å; V64-Y74 HydrophobicContact CG2-CD1 4.01Å; V64-Y74 HydrophobicContact CG2-CE1 4.3Å; S72-Y74 VanDerWaalsContact CB-CE2 3.49Å; S72-Y74 VanDerWaalsContact O-CD2 3.31Å; S72-Y74 WeakPolarHBondContact O-CD2 3.35Å; S72-Y74 VanDerWaalsContact O-CE2 3.25Å; S72-Y74 WeakPolarHBondContact O-CE2 3.5Å; Y74-Q78 WeakPolarHBondContact O-CA 3.28Å; Y74-Q78 PolarHBondContact O-N 3.36Å; Y74-L79 PolarHBondContact N-O 2.9Å; Y74-L79 PolarHBondContact O-N 2.93Å; Y74-N87 PolarHBondContact OH-ND2 2.73Å; Y74-C100 HydrophobicContact CD1-CB 3.64Å; Y74-C100 HydrophobicContact CD2-CB 3.73Å; Y74-C100 HydrophobicContact CE1-CB 3.71Å; Y74-C100 HydrophobicContact CE2-CB 3.82Å; Y74-C100 HydrophobicContact CG-CB 3.67Å; Y74-L104 HydrophobicContact CD1-CD1 4.11Å; Y74-L104 HydrophobicContact CD1-CD2 4.09Å; Y74-L104 HydrophobicContact CD1-CG 4.24Å
75G98.6Very high98Very high0 Ų040.6 Ų40.60%022%0.218CC..THydrogen-bonded Turntrans73.7-166.2163.800000113.8T61 F63 F77 Q78T61-G75 WeakPolarHBondContact O-CA 3.43Å; F63-G75 PolarHBondContact O-N 3.23Å; G75-F77 PolarHBondContact O-N 3.31Å; G75-F77 VanDerWaalsContact O-N 3.12Å; G75-Q78 PolarHBondContact O-N 3.06Å; G75-Q78 VanDerWaalsContact O-N 3.07Å; G75-Q78 PolarHBondContact O-NE2 3.03Å
76I98.8Very high98Very high0 Ų038.8 Ų38.80%021%0.208CC..THydrogen-bonded Turntrans-64.4-25-167.8-165168.2000113.6Y24 L29 A53 S57 F59 T61 I108 D111Y24-I76 HydrophobicContact CD2-CD1 3.98Å; L29-I76 HydrophobicContact CD1-CD1 3.85Å; L29-I76 HydrophobicContact CD2-CD1 3.89Å; A53-I76 HydrophobicContact CB-CG1 4.41Å; S57-I76 WeakPolarHBondContact OG-CA 3.24Å; S57-I76 PolarHBondContact OG-O 3.16Å; F59-I76 HydrophobicContact CB-CD1 4.5Å; T61-I76 HydrophobicContact CG2-CB 4.26Å; T61-I76 HydrophobicContact CG2-CD1 4.36Å; I76-I108 HydrophobicContact CG2-CB 4.46Å; I76-I108 HydrophobicContact CG2-CG2 4.06Å; I76-D111 HydrophobicContact CG2-CB 4.17Å
77F98.8Very high98Very high0 Ų034.2 Ų34.20%019%0.188CC..THydrogen-bonded Turntrans-109.49.2178.7-55-51000113.8L33 M52 A53 G75 L79 D111 I112 A115 W128L33-F77 HydrophobicContact CD2-CE1 4.41Å; L33-F77 HydrophobicContact CD2-CZ 3.78Å; M52-F77 HydrophobicContact CE-CB 4.26Å; M52-F77 HydrophobicContact CE-CD1 3.6Å; M52-F77 HydrophobicContact CE-CE1 4.29Å; M52-F77 HydrophobicContact CE-CG 4.18Å; M52-F77 HydrophobicContact SD-CB 4.46Å; M52-F77 HydrophobicContact SD-CD1 4.12Å; A53-F77 HydrophobicContact CB-CD1 3.93Å; A53-F77 HydrophobicContact CB-CE1 3.88Å; G75-F77 PolarHBondContact O-N 3.31Å; G75-F77 VanDerWaalsContact O-N 3.12Å; F77-L79 HydrophobicContact CB-CG 4.32Å; F77-L79 PolarHBondContact O-N 3.47Å; F77-D111 HydrophobicContact CD2-CB 3.74Å; F77-D111 HydrophobicContact CE2-CB 3.8Å; F77-I112 HydrophobicContact CE2-CB 4.47Å; F77-I112 HydrophobicContact CE2-CG1 3.8Å; F77-I112 HydrophobicContact CZ-CG1 4.01Å; F77-A115 HydrophobicContact CB-CB 4.4Å; F77-A115 HydrophobicContact CD2-CB 3.62Å; F77-A115 HydrophobicContact CE2-CB 4.08Å; F77-A115 HydrophobicContact CG-CB 4.09Å; F77-W128 PolarHBondContact O-NE1 3.44Å
78Q98.8Very high98Very high9 Ų935.2 Ų35.24%0.04221%0.21CC..THydrogen-bonded Turntrans48.266178.2-68.9-61.8-87.800112.2E56 F63 E73 Y74 G75E56-Q78 HydrophobicContact CB-CB 4Å; E56-Q78 HydrophobicContact CB-CG 3.65Å; E56-Q78 HydrophobicContact CG-CB 4.35Å; E56-Q78 HydrophobicContact CG-CG 4.49Å; E56-Q78 VanDerWaalsContact O-CG 3.3Å; E56-Q78 WeakPolarHBondContact O-CG 3.29Å; F63-Q78 VanDerWaalsContact CD1-CD 3.42Å; F63-Q78 HydrophobicContact CD1-CG 4.29Å; F63-Q78 PolarHBondContact O-NE2 3.03Å; F63-Q78 VanDerWaalsContact O-NE2 3.11Å; E73-Q78 HydrophobicContact CB-CB 3.87Å; E73-Q78 HydrophobicContact CB-CG 4.28Å; E73-Q78 HydrophobicContact CG-CB 4.47Å; Y74-Q78 WeakPolarHBondContact O-CA 3.28Å; Y74-Q78 PolarHBondContact O-N 3.36Å; G75-Q78 PolarHBondContact O-N 3.06Å; G75-Q78 VanDerWaalsContact O-N 3.07Å; G75-Q78 PolarHBondContact O-NE2 3.03Å
79L98.7Very high98Very high1 Ų134.1 Ų34.11%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-89116.2-178.3-63.6166.5000110.6Y74 F77 W84 L103 C114 V118 W128Y74-L79 PolarHBondContact N-O 2.9Å; Y74-L79 PolarHBondContact O-N 2.93Å; F77-L79 HydrophobicContact CB-CG 4.32Å; F77-L79 PolarHBondContact O-N 3.47Å; L79-W84 HydrophobicContact CB-CB 4.33Å; L79-L103 HydrophobicContact CB-CD1 3.84Å; L79-L103 HydrophobicContact CD1-CD1 3.74Å; L79-L103 HydrophobicContact CD1-CD2 3.67Å; L79-L103 HydrophobicContact CD1-CG 4.35Å; L79-L103 HydrophobicContact CG-CD1 4.4Å; L79-C114 HydrophobicContact CD1-CB 3.78Å; L79-V118 HydrophobicContact CD2-CG2 3.76Å; L79-W128 HydrophobicContact CD2-CZ2 4.37Å
80N98.5Very high98.1Very high17 Ų1729.1 Ų29.19%0.09117%0.174CC..EExtended strand (participates in β ladder)trans-67.6133.1-173.6-171.7-84.4000114.7N67 S71 S72 E73 A82 W83 W84N67-N80 PolarHBondContact ND2-ND2 3.46Å; N67-N80 VanDerWaalsContact ND2-ND2 3.15Å; S71-N80 PolarHBondContact OG-ND2 3.21Å; S72-N80 CarbonylContact O-C 3.47Å; S72-N80 WeakPolarHBondContact O-CA 3.43Å; E73-N80 PolarHBondContact OE1-ND2 3.15Å; E73-N80 WeakPolarHBondContact OE2-CA 3.22Å; E73-N80 WeakPolarHBondContact OE2-CB 3.08Å; E73-N80 PolarHBondContact OE2-N 3.26Å; N80-A82 VanDerWaalsContact C-N 3.35Å; N80-A82 PolarHBondContact O-N 3.07Å; N80-A82 WeakPolarHBondContact OD1-CA 3.06Å; N80-A82 WeakPolarHBondContact OD1-CB 3.17Å; N80-A82 PolarHBondContact OD1-N 3.12Å; N80-W83 PolarHBondContact O-N 2.91Å; N80-W84 PolarHBondContact O-N 3.23Å
81S98.7Very high98.2Very high0 Ų032.9 Ų32.90%019%0.19CC..THydrogen-bonded Turntrans-69.5-18.8179.361.70000115.7S71 S72 W83 C85 T90 T92S71-S81 WeakPolarHBondContact CA-OG 3.3Å; S72-S81 PolarHBondContact N-OG 2.84Å; S72-S81 PolarHBondContact O-N 2.75Å; S72-S81 PolarHBondContact O-OG 3.11Å; S81-W83 VanDerWaalsContact C-N 3.28Å; S81-C85 CarbonylContact C-O 3.47Å; S81-T90 PolarHBondContact OG-OG1 3.42Å; S81-T92 WeakPolarHBondContact O-CB 3.48Å; S81-T92 PolarHBondContact O-OG1 3.12Å
82A98.3Very high98.2Very high21 Ų2135.1 Ų35.117%0.17420%0.204CC..THydrogen-bonded Turntrans-75.8-18.7175.500000112.5N80 T90 T92 Q93N80-A82 VanDerWaalsContact C-N 3.35Å; N80-A82 PolarHBondContact O-N 3.07Å; N80-A82 WeakPolarHBondContact OD1-CA 3.06Å; N80-A82 WeakPolarHBondContact OD1-CB 3.17Å; N80-A82 PolarHBondContact OD1-N 3.12Å; A82-T90 HydrophobicContact CB-CG2 4.09Å; A82-T92 WeakPolarHBondContact O-CA 3.49Å; A82-Q93 PolarHBondContact O-N 3.46Å
83W98.2Very high98.2Very high135 Ų13540.1 Ų40.151%0.51123%0.227SC..THydrogen-bonded Turntrans-122.5-48.6-172.5-58.896000113.6N80 S81 Q93 N94 L95N80-W83 PolarHBondContact O-N 2.91Å; S81-W83 VanDerWaalsContact C-N 3.28Å; W83-Q93 HydrophobicContact CE3-CG 4.37Å; W83-N94 PolarHBondContact O-N 3.18Å; W83-L95 WeakPolarHBondContact O-CB 3.37Å; W83-L95 WeakPolarHBondContact O-CG 3.16Å; W83-L95 PolarHBondContact O-N 3.18Å
84W98.6Very high98.2Very high37 Ų3739.8 Ų39.814%0.1423%0.226CC..THydrogen-bonded Turntrans-101.2-41.4-159.6-59.7113.7000113.5L79 N80 N94 L95 C96 Q117 V118L79-W84 HydrophobicContact CB-CB 4.33Å; N80-W84 PolarHBondContact O-N 3.23Å; W84-N94 CarbonylContact O-C 3.58Å; W84-N94 PolarHBondContact O-OD1 3.3Å; W84-L95 HydrophobicContact CE3-CB 3.81Å; W84-L95 HydrophobicContact CE3-CD1 4.03Å; W84-L95 HydrophobicContact CH2-CD1 4.1Å; W84-L95 HydrophobicContact CZ3-CB 3.96Å; W84-L95 HydrophobicContact CZ3-CD1 3.68Å; W84-L95 HydrophobicContact CZ3-CG 4.49Å; W84-L95 PolarHBondContact O-N 3.11Å; W84-C96 VanDerWaalsContact O-CB 3.24Å; W84-C96 WeakPolarHBondContact O-CB 3.34Å; W84-C96 PolarHBondContact O-N 2.79Å; W84-Q117 HydrophobicContact CZ3-CG 4.23Å; W84-V118 HydrophobicContact CD2-CG2 3.56Å; W84-V118 VanDerWaalsContact CE2-CG2 3.41Å; W84-V118 HydrophobicContact CE3-CG2 3.79Å; W84-V118 HydrophobicContact CG-CG2 4.19Å; W84-V118 HydrophobicContact CH2-CB 4.11Å; W84-V118 HydrophobicContact CH2-CG1 4.33Å; W84-V118 HydrophobicContact CH2-CG2 3.82Å; W84-V118 HydrophobicContact CZ2-CB 3.94Å; W84-V118 HydrophobicContact CZ2-CG1 3.75Å; W84-V118 HydrophobicContact CZ2-CG2 3.56Å; W84-V118 HydrophobicContact CZ3-CG2 3.92Å
85C98.8Very high98.1Very high0 Ų041.2 Ų41.20%024%0.235CC..  trans-132.1166.7-177.363.10000111.4S81 T92 N94 M98 C100 L103S81-C85 CarbonylContact C-O 3.47Å; C85-T92 PolarHBondContact O-OG1 3Å; C85-N94 WeakPolarHBondContact CA-OD1 3.45Å; C85-M98 HydrophobicContact CB-CG 4.01Å; C85-C100 HydrophobicContact CB-CB 3.91Å; C85-C100 WeakPolarHBondContact CB-SG 3.22Å; C85-C100 PolarHBondContact O-SG 2.97Å; C85-C100 WeakPolarHBondContact SG-CA 3.49Å; C85-C100 WeakPolarHBondContact SG-CB 3.28Å; C85-C100 CovalentContact SG-SG 2.04Å; C85-C100 PolarHBondContact SG-SG 3.26Å; C85-L103 HydrophobicContact CB-CD1 4.21Å
86N98.6Very high98.1Very high43 Ų4342.2 Ų42.223%0.2324%0.242CC..BIsolated β-bridgetrans-105.6127.9176.418025.1000111.7G88 T92 N94 M98 E99 C100N86-G88 PolarHBondContact OD1-N 3.07Å; N86-T92 HydrophobicContact CB-CG2 4.03Å; N86-N94 HydrophobicContact CB-CB 4.42Å; N86-M98 PolarHBondContact N-O 2.67Å; N86-E99 PolarHBondContact ND2-OE1 3.22Å; N86-E99 CarbonylContact O-C 3.56Å; N86-E99 VanDerWaalsContact O-CA 3.27Å; N86-E99 WeakPolarHBondContact O-CA 3.39Å; N86-C100 PolarHBondContact N-SG 2.97Å; N86-C100 PolarHBondContact O-N 3.41Å
87N98Very high98.1Very high36 Ų3649.9 Ų49.919%0.19328%0.277CS..  trans-111.52.2172.868.7-5.7000113.2Y74 V89 T90 C100Y74-N87 PolarHBondContact OH-ND2 2.73Å; N87-V89 PolarHBondContact O-N 3.35Å; N87-V89 PolarHBondContact OD1-N 3.45Å; N87-T90 PolarHBondContact ND2-OG1 3.16Å; N87-T90 PolarHBondContact OD1-N 2.81Å; N87-C100 HydrophobicContact CB-CB 4.09Å
88G97.4Very high98.1Very high67 Ų6751.1 Ų51.169%0.69128%0.283SS*.SBendtrans70.86.6-176.300000115.2N86N86-G88 PolarHBondContact OD1-N 3.07Å
89V95.8Very high98.1Very high118 Ų11854.2 Ų54.272%0.71530%0.298SS*.SBendtrans-117.7-52.3-177.9-179.50000111N87N87-V89 PolarHBondContact O-N 3.35Å; N87-V89 PolarHBondContact OD1-N 3.45Å
90T96.4Very high98.1Very high15 Ų1554.1 Ų54.19%0.09230%0.297CS..SBendtrans-88131-178.8-40.30000109.7G70 S81 A82 N87 T92G70-T90 PolarHBondContact O-OG1 3.04Å; S81-T90 PolarHBondContact OG-OG1 3.42Å; A82-T90 HydrophobicContact CB-CG2 4.09Å; N87-T90 PolarHBondContact ND2-OG1 3.16Å; N87-T90 PolarHBondContact OD1-N 2.81Å; T90-T92 PolarHBondContact O-N 3.12Å
91P97.5Very high98Very high120 Ų12061.9 Ų61.978%0.77933%0.325SS*.  trans-55.9129.9167.3-23.834.2000110.4
92T98.1Very high98Very high48 Ų4864.8 Ų64.829%0.29434%0.341SS..  trans-137.3150.4-167.2-173.50000113.5S81 A82 C85 N86 T90 N94S81-T92 WeakPolarHBondContact O-CB 3.48Å; S81-T92 PolarHBondContact O-OG1 3.12Å; A82-T92 WeakPolarHBondContact O-CA 3.49Å; C85-T92 PolarHBondContact O-OG1 3Å; N86-T92 HydrophobicContact CB-CG2 4.03Å; T90-T92 PolarHBondContact O-N 3.12Å; T92-N94 HydrophobicContact CG2-CB 3.94Å; T92-N94 PolarHBondContact OG1-N 3.24Å
93Q97.8Very high98Very high115 Ų11563.8 Ų63.854%0.53733%0.333SS..  trans-79.4-22.7164.8-61.4-164.725.200112.7A82 W83 L95A82-Q93 PolarHBondContact O-N 3.46Å; W83-Q93 HydrophobicContact CE3-CG 4.37Å; Q93-L95 VanDerWaalsContact C-N 3.32Å; Q93-L95 HydrophobicContact CB-CD2 4.15Å; Q93-L95 HydrophobicContact CB-CG 3.93Å; Q93-L95 PolarHBondContact O-N 3.04Å
94N98.4Very high98Very high30 Ų3059 Ų5916%0.1632%0.317CS..  trans44.654.1-177.3-168.712.5000112.9W83 W84 C85 N86 T92 C96 H97 M98W83-N94 PolarHBondContact O-N 3.18Å; W84-N94 CarbonylContact O-C 3.58Å; W84-N94 PolarHBondContact O-OD1 3.3Å; C85-N94 WeakPolarHBondContact CA-OD1 3.45Å; N86-N94 HydrophobicContact CB-CB 4.42Å; T92-N94 HydrophobicContact CG2-CB 3.94Å; T92-N94 PolarHBondContact OG1-N 3.24Å; N94-C96 PolarHBondContact O-N 3.3Å; N94-H97 PolarHBondContact O-N 3.17Å; N94-H97 PolarHBondContact O-ND1 3.13Å; N94-H97 WeakPolarHBondContact OD1-CA 3.28Å; N94-H97 PolarHBondContact OD1-N 3.36Å; N94-M98 PolarHBondContact OD1-N 3.17Å; N94-M98 PolarHBondContact OD1-O 3.19Å; N94-M98 VanDerWaalsContact OD1-O 3.06Å
95L98.4Very high97.8Very high54 Ų5459 Ų5928%0.28332%0.319SS..THydrogen-bonded Turntrans-64-23.7-173.2-68173.5000113.6W83 W84 Q93 Q117W83-L95 WeakPolarHBondContact O-CB 3.37Å; W83-L95 WeakPolarHBondContact O-CG 3.16Å; W83-L95 PolarHBondContact O-N 3.18Å; W84-L95 HydrophobicContact CE3-CB 3.81Å; W84-L95 HydrophobicContact CE3-CD1 4.03Å; W84-L95 HydrophobicContact CH2-CD1 4.1Å; W84-L95 HydrophobicContact CZ3-CB 3.96Å; W84-L95 HydrophobicContact CZ3-CD1 3.68Å; W84-L95 HydrophobicContact CZ3-CG 4.49Å; W84-L95 PolarHBondContact O-N 3.11Å; Q93-L95 VanDerWaalsContact C-N 3.32Å; Q93-L95 HydrophobicContact CB-CD2 4.15Å; Q93-L95 HydrophobicContact CB-CG 3.93Å; Q93-L95 PolarHBondContact O-N 3.04Å; L95-Q117 PolarHBondContact O-NE2 3.12Å; L95-Q117 PolarHBondContact O-OE1 3.29Å
96C98.6Very high97.7Very high21 Ų2163.3 Ų63.314%0.14234%0.336CS..THydrogen-bonded Turntrans-91.7-0.5174.7-60.70000113W84 N94 M98 C114W84-C96 VanDerWaalsContact O-CB 3.24Å; W84-C96 WeakPolarHBondContact O-CB 3.34Å; W84-C96 PolarHBondContact O-N 2.79Å; N94-C96 PolarHBondContact O-N 3.3Å; C96-M98 VanDerWaalsContact C-N 3.35Å; C96-M98 HydrophobicContact CB-CG 4.01Å; C96-M98 HydrophobicContact CB-SD 3.88Å; C96-M98 PolarHBondContact O-N 3.38Å; C96-C114 HydrophobicContact CB-CB 3.74Å; C96-C114 WeakPolarHBondContact CB-SG 3.41Å; C96-C114 WeakPolarHBondContact SG-CA 2.98Å; C96-C114 WeakPolarHBondContact SG-CB 3.42Å; C96-C114 CovalentContact SG-SG 2.03Å; C96-C114 PolarHBondContact SG-SG 3.43Å
97H98.2Very high97.6Very high161 Ų16167 Ų6775%0.74535%0.351SS*.  trans53.546.2176.6-56.5-54.8000113.8N94N94-H97 PolarHBondContact O-N 3.17Å; N94-H97 PolarHBondContact O-ND1 3.13Å; N94-H97 WeakPolarHBondContact OD1-CA 3.28Å; N94-H97 PolarHBondContact OD1-N 3.36Å
98M98.2Very high97.7Very high26 Ų2665.2 Ų65.213%0.12834%0.342CS..SBendtrans-142.9162.7-174.867.5-172.8-58.500112.4C85 N86 N94 C96 D102 L103 D110 C114C85-M98 HydrophobicContact CB-CG 4.01Å; N86-M98 PolarHBondContact N-O 2.67Å; N94-M98 PolarHBondContact OD1-N 3.17Å; N94-M98 PolarHBondContact OD1-O 3.19Å; N94-M98 VanDerWaalsContact OD1-O 3.06Å; C96-M98 VanDerWaalsContact C-N 3.35Å; C96-M98 HydrophobicContact CB-CG 4.01Å; C96-M98 HydrophobicContact CB-SD 3.88Å; C96-M98 PolarHBondContact O-N 3.38Å; M98-D102 HydrophobicContact CE-CB 3.95Å; M98-L103 HydrophobicContact CE-CD2 3.43Å; M98-L103 VanDerWaalsContact CE-CD2 3.43Å; M98-L103 HydrophobicContact CE-CG 3.82Å; M98-L103 HydrophobicContact SD-CD2 3.9Å; M98-L103 HydrophobicContact SD-CG 4.39Å; M98-D110 HydrophobicContact CE-CB 3.79Å; M98-D110 WeakPolarHBondContact CE-OD2 3.16Å; M98-C114 HydrophobicContact SD-CB 4.18Å
99E98.5Very high97.7Very high73 Ų7367.2 Ų67.234%0.34134%0.336SS..BIsolated β-bridgetrans-85.3137.8172.4-63-67.3129.600109.5N86 R101 D102N86-E99 PolarHBondContact ND2-OE1 3.22Å; N86-E99 CarbonylContact O-C 3.56Å; N86-E99 VanDerWaalsContact O-CA 3.27Å; N86-E99 WeakPolarHBondContact O-CA 3.39Å; E99-R101 HydrophobicContact CB-CG 4.02Å; E99-R101 PolarHBondContact O-N 3.46Å; E99-R101 VanDerWaalsContact O-N 3.13Å; E99-D102 PolarHBondContact N-OD2 2.84Å; E99-D102 VanDerWaalsContact O-CB 3.3Å; E99-D102 WeakPolarHBondContact O-CB 3.42Å; E99-D102 PolarHBondContact O-N 3.19Å
100C98.5Very high97.8Very high0 Ų063.7 Ų63.70%031%0.313CS..G310 helixtrans-61.8-26.4-177.3-63.10000112.7Y74 C85 N86 N87 D102 L103Y74-C100 HydrophobicContact CD1-CB 3.64Å; Y74-C100 HydrophobicContact CD2-CB 3.73Å; Y74-C100 HydrophobicContact CE1-CB 3.71Å; Y74-C100 HydrophobicContact CE2-CB 3.82Å; Y74-C100 HydrophobicContact CG-CB 3.67Å; C85-C100 HydrophobicContact CB-CB 3.91Å; C85-C100 WeakPolarHBondContact CB-SG 3.22Å; C85-C100 PolarHBondContact O-SG 2.97Å; C85-C100 WeakPolarHBondContact SG-CA 3.49Å; C85-C100 WeakPolarHBondContact SG-CB 3.28Å; C85-C100 CovalentContact SG-SG 2.04Å; C85-C100 PolarHBondContact SG-SG 3.26Å; N86-C100 PolarHBondContact N-SG 2.97Å; N86-C100 PolarHBondContact O-N 3.41Å; N87-C100 HydrophobicContact CB-CB 4.09Å; C100-D102 PolarHBondContact O-N 2.94Å; C100-L103 WeakPolarHBondContact O-CB 3.47Å; C100-L103 PolarHBondContact O-N 3.32Å
101R97.4Very high97.9Very high180 Ų18063 Ų6368%0.67931%0.309SS*.G310 helixtrans-63.3-25.5174.773.3-179-174.9177.6-3.6112.9E99 L103 L104E99-R101 HydrophobicContact CB-CG 4.02Å; E99-R101 PolarHBondContact O-N 3.46Å; E99-R101 VanDerWaalsContact O-N 3.13Å; R101-L103 PolarHBondContact O-N 2.89Å; R101-L104 PolarHBondContact O-N 3.06Å; R101-L104 VanDerWaalsContact O-N 3.17Å
102D97.5Very high98Very high61 Ų6157.4 Ų57.433%0.32627%0.272SS..G310 helixtrans-68.1-28.1-178.5-59.3-23.1000109.2M98 E99 C100 L104 N105M98-D102 HydrophobicContact CE-CB 3.95Å; E99-D102 PolarHBondContact N-OD2 2.84Å; E99-D102 VanDerWaalsContact O-CB 3.3Å; E99-D102 WeakPolarHBondContact O-CB 3.42Å; E99-D102 PolarHBondContact O-N 3.19Å; C100-D102 PolarHBondContact O-N 2.94Å; D102-L104 PolarHBondContact O-N 3.49Å; D102-N105 PolarHBondContact O-ND2 3.44Å
103L98.4Very high98Very high0 Ų059.7 Ų59.70%028%0.282CS..G310 helixtrans-71.4-7.8174.8-57.6170.5000114.8L79 C85 M98 C100 R101 N105 D111L79-L103 HydrophobicContact CB-CD1 3.84Å; L79-L103 HydrophobicContact CD1-CD1 3.74Å; L79-L103 HydrophobicContact CD1-CD2 3.67Å; L79-L103 HydrophobicContact CD1-CG 4.35Å; L79-L103 HydrophobicContact CG-CD1 4.4Å; C85-L103 HydrophobicContact CB-CD1 4.21Å; M98-L103 HydrophobicContact CE-CD2 3.43Å; M98-L103 VanDerWaalsContact CE-CD2 3.43Å; M98-L103 HydrophobicContact CE-CG 3.82Å; M98-L103 HydrophobicContact SD-CD2 3.9Å; M98-L103 HydrophobicContact SD-CG 4.39Å; C100-L103 WeakPolarHBondContact O-CB 3.47Å; C100-L103 PolarHBondContact O-N 3.32Å; R101-L103 PolarHBondContact O-N 2.89Å; L103-N105 VanDerWaalsContact C-N 3.34Å; L103-D111 HydrophobicContact CD2-CB 4.16Å
104L98.2Very high98.1Very high33 Ų3354.3 Ų54.317%0.17326%0.258CS..G310 helixtrans-94.28.5-172.6-59-177.6000114V19 T61 V64 Y74 R101 D102V19-L104 HydrophobicContact CG1-CB 4.17Å; V19-L104 WeakPolarHBondContact CG1-O 3.44Å; T61-L104 VanDerWaalsContact O-CA 3.3Å; T61-L104 WeakPolarHBondContact O-CA 3.4Å; V64-L104 HydrophobicContact CG2-CD1 3.92Å; V64-L104 HydrophobicContact CG2-CD2 3.64Å; V64-L104 HydrophobicContact CG2-CG 4.45Å; Y74-L104 HydrophobicContact CD1-CD1 4.11Å; Y74-L104 HydrophobicContact CD1-CD2 4.09Å; Y74-L104 HydrophobicContact CD1-CG 4.24Å; R101-L104 PolarHBondContact O-N 3.06Å; R101-L104 VanDerWaalsContact O-N 3.17Å; D102-L104 PolarHBondContact O-N 3.49Å
105N95.9Very high98.1Very high37 Ų3752.9 Ų52.920%0.19825%0.25CS..SBendtrans-104.1162.6-174.692.785.4000111.7V19 T61 D102 L103 H107V19-N105 HydrophobicContact CG1-CB 4.3Å; T61-N105 WeakPolarHBondContact CB-O 3.41Å; T61-N105 PolarHBondContact OG1-O 3.2Å; D102-N105 PolarHBondContact O-ND2 3.44Å; L103-N105 VanDerWaalsContact C-N 3.34Å; N105-H107 PolarHBondContact O-N 2.94Å; N105-H107 WeakPolarHBondContact OD1-CA 3.37Å; N105-H107 WeakPolarHBondContact OD1-CB 3.37Å; N105-H107 PolarHBondContact OD1-CD2 3.03Å; N105-H107 PolarHBondContact OD1-N 3.42Å
106R96.8Very high98.1Very high92 Ų9254.2 Ų54.235%0.34725%0.251SS..SBendtrans-65.3-22.2-178.667.8-171.7-67.7178.54.8114.1D20 K22 Y24 I108D20-R106 VanDerWaalsContact CG-CD 3.41Å; D20-R106 VanDerWaalsContact O-CB 3.22Å; D20-R106 WeakPolarHBondContact O-CB 2.97Å; D20-R106 WeakPolarHBondContact O-CG 3.29Å; D20-R106 PolarHBondContact O-N 2.69Å; D20-R106 IonicContact OD1-NH1 3.71Å; D20-R106 WeakPolarHBondContact OD2-CD 3.25Å; D20-R106 IonicContact OD2-CZ 2.67Å; D20-R106 IonicContact OD2-NE 3.88Å; D20-R106 IonicContact OD2-NH1 2.61Å; D20-R106 PolarHBondContact OD2-NH1 3.33Å; K22-R106 HydrophobicContact CB-CB 3.72Å; Y24-R106 PolarHBondContact OH-O 2.93Å; R106-I108 PolarHBondContact O-N 3.14Å
107H96.6Very high98.1Very high119 Ų11957.3 Ų57.355%0.55126%0.264SS*.  trans-86.992.4-178.6-59-77.9000110.4N105 L109N105-H107 PolarHBondContact O-N 2.94Å; N105-H107 WeakPolarHBondContact OD1-CA 3.37Å; N105-H107 WeakPolarHBondContact OD1-CB 3.37Å; N105-H107 PolarHBondContact OD1-CD2 3.03Å; N105-H107 PolarHBondContact OD1-N 3.42Å; H107-L109 PolarHBondContact O-N 3.26Å
108I98.3Very high98.1Very high0 Ų049.7 Ų49.70%023%0.229CC..THydrogen-bonded Turntrans-80.422.4-172.562.9169.4000116.2Y24 L29 K32 T61 I76 R106 D111 I112Y24-I108 HydrophobicContact CE2-CD1 4.36Å; Y24-I108 HydrophobicContact CE2-CG2 3.83Å; L29-I108 HydrophobicContact CD1-CD1 3.4Å; K32-I108 HydrophobicContact CD-CD1 3.98Å; K32-I108 HydrophobicContact CD-CG1 3.92Å; K32-I108 HydrophobicContact CG-CD1 4.25Å; K32-I108 HydrophobicContact CG-CG1 4.39Å; T61-I108 HydrophobicContact CG2-CG2 3.51Å; I76-I108 HydrophobicContact CG2-CB 4.46Å; I76-I108 HydrophobicContact CG2-CG2 4.06Å; R106-I108 PolarHBondContact O-N 3.14Å; I108-D111 VanDerWaalsContact CA-OD2 3.28Å; I108-D111 WeakPolarHBondContact CA-OD2 3.19Å; I108-D111 HydrophobicContact CB-CB 4.19Å; I108-I112 HydrophobicContact CD1-CD1 4.08Å; I108-I112 HydrophobicContact CG1-CD1 4.04Å; I108-I112 WeakPolarHBondContact O-CB 3.31Å; I108-I112 WeakPolarHBondContact O-CD1 3.29Å; I108-I112 WeakPolarHBondContact O-CG1 3.39Å; I108-I112 PolarHBondContact O-N 2.83Å
109L98.2Very high98.1Very high109 Ų10948.6 Ų48.657%0.57122%0.224SC*.Hα-helixtrans-74-41.8-174.1179.360.1000111.2H107 I112 L113H107-L109 PolarHBondContact O-N 3.26Å; L109-I112 PolarHBondContact O-N 2.9Å; L109-L113 HydrophobicContact CG-CD1 4.41Å; L109-L113 VanDerWaalsContact O-CG 3.29Å; L109-L113 WeakPolarHBondContact O-CG 3.25Å; L109-L113 PolarHBondContact O-N 2.99Å
110D98.3Very high98.1Very high43 Ų4347.8 Ų47.823%0.2323%0.226CC..Hα-helixtrans-62.8-42172.153.1-39.9000111.6M98 I112 L113 C114M98-D110 HydrophobicContact CE-CB 3.79Å; M98-D110 WeakPolarHBondContact CE-OD2 3.16Å; D110-I112 VanDerWaalsContact C-N 3.34Å; D110-I112 PolarHBondContact O-N 2.71Å; D110-L113 PolarHBondContact O-N 2.94Å; D110-C114 PolarHBondContact O-N 3Å
111D98.8Very high98Very high0 Ų049.9 Ų49.90%024%0.24CC..Hα-helixtrans-55.1-48.9170.3-55.4-117000111.6I76 F77 L103 I108 L113 C114 A115I76-D111 HydrophobicContact CG2-CB 4.17Å; F77-D111 HydrophobicContact CD2-CB 3.74Å; F77-D111 HydrophobicContact CE2-CB 3.8Å; L103-D111 HydrophobicContact CD2-CB 4.16Å; I108-D111 VanDerWaalsContact CA-OD2 3.28Å; I108-D111 WeakPolarHBondContact CA-OD2 3.19Å; I108-D111 HydrophobicContact CB-CB 4.19Å; D111-L113 VanDerWaalsContact C-N 3.35Å; D111-L113 PolarHBondContact O-N 2.89Å; D111-C114 PolarHBondContact O-N 3.15Å; D111-A115 VanDerWaalsContact O-CB 3.29Å; D111-A115 WeakPolarHBondContact O-CB 3.44Å; D111-A115 PolarHBondContact O-N 3.37Å
112I98.8Very high97.9Very high3 Ų351.7 Ų51.72%0.01525%0.253CS..Hα-helixtrans-62.5-43.1-179.6-71.7164.8000110.7L33 A36 L38 F77 I108 L109 D110 A115 R116L33-I112 HydrophobicContact CD2-CD1 3.86Å; L33-I112 HydrophobicContact CD2-CG1 3.94Å; A36-I112 HydrophobicContact CB-CD1 3.79Å; A36-I112 HydrophobicContact CB-CG2 3.93Å; L38-I112 HydrophobicContact CD1-CG1 4.38Å; L38-I112 HydrophobicContact CD1-CG2 3.93Å; L38-I112 HydrophobicContact CD2-CG2 4.27Å; L38-I112 HydrophobicContact CG-CG2 4.07Å; F77-I112 HydrophobicContact CE2-CB 4.47Å; F77-I112 HydrophobicContact CE2-CG1 3.8Å; F77-I112 HydrophobicContact CZ-CG1 4.01Å; I108-I112 HydrophobicContact CD1-CD1 4.08Å; I108-I112 HydrophobicContact CG1-CD1 4.04Å; I108-I112 WeakPolarHBondContact O-CB 3.31Å; I108-I112 WeakPolarHBondContact O-CD1 3.29Å; I108-I112 WeakPolarHBondContact O-CG1 3.39Å; I108-I112 PolarHBondContact O-N 2.83Å; L109-I112 PolarHBondContact O-N 2.9Å; D110-I112 VanDerWaalsContact C-N 3.34Å; D110-I112 PolarHBondContact O-N 2.71Å; I112-A115 PolarHBondContact O-N 3.34Å; I112-R116 HydrophobicContact CG2-CG 4.48Å; I112-R116 VanDerWaalsContact O-CG 3.25Å; I112-R116 WeakPolarHBondContact O-CG 3.45Å; I112-R116 PolarHBondContact O-N 2.76Å
113L98.6Very high97.9Very high96 Ų9653.5 Ų53.550%0.50326%0.263SS..Hα-helixtrans-63.9-42.4179.5-71173000111.5L109 D110 D111 R116 Q117L109-L113 HydrophobicContact CG-CD1 4.41Å; L109-L113 VanDerWaalsContact O-CG 3.29Å; L109-L113 WeakPolarHBondContact O-CG 3.25Å; L109-L113 PolarHBondContact O-N 2.99Å; D110-L113 PolarHBondContact O-N 2.94Å; D111-L113 VanDerWaalsContact C-N 3.35Å; D111-L113 PolarHBondContact O-N 2.89Å; L113-R116 PolarHBondContact O-N 3.01Å; L113-Q117 PolarHBondContact O-N 2.86Å
114C98.8Very high97.8Very high3 Ų353.9 Ų53.92%0.0227%0.267CS..Hα-helixtrans-67.3-45176.5-1720000111.5L79 C96 M98 D110 D111 R116 Q117 V118L79-C114 HydrophobicContact CD1-CB 3.78Å; C96-C114 HydrophobicContact CB-CB 3.74Å; C96-C114 WeakPolarHBondContact CB-SG 3.41Å; C96-C114 WeakPolarHBondContact SG-CA 2.98Å; C96-C114 WeakPolarHBondContact SG-CB 3.42Å; C96-C114 CovalentContact SG-SG 2.03Å; C96-C114 PolarHBondContact SG-SG 3.43Å; M98-C114 HydrophobicContact SD-CB 4.18Å; D110-C114 PolarHBondContact O-N 3Å; D111-C114 PolarHBondContact O-N 3.15Å; C114-R116 VanDerWaalsContact C-N 3.27Å; C114-R116 PolarHBondContact O-N 2.94Å; C114-Q117 WeakPolarHBondContact O-CA 3.13Å; C114-Q117 VanDerWaalsContact O-CB 3.26Å; C114-Q117 WeakPolarHBondContact O-CB 3.5Å; C114-Q117 PolarHBondContact O-N 2.89Å; C114-V118 WeakPolarHBondContact O-CG2 3.49Å; C114-V118 PolarHBondContact O-N 3.28Å
115A98.8Very high97.8Very high0 Ų052.3 Ų52.30%026%0.258CS..Hα-helixtrans-59.9-34.1176.100000112.9W49 F77 D111 I112 Q117 V118 A119 W128W49-A115 HydrophobicContact CZ3-CB 3.99Å; F77-A115 HydrophobicContact CB-CB 4.4Å; F77-A115 HydrophobicContact CD2-CB 3.62Å; F77-A115 HydrophobicContact CE2-CB 4.08Å; F77-A115 HydrophobicContact CG-CB 4.09Å; D111-A115 VanDerWaalsContact O-CB 3.29Å; D111-A115 WeakPolarHBondContact O-CB 3.44Å; D111-A115 PolarHBondContact O-N 3.37Å; I112-A115 PolarHBondContact O-N 3.34Å; A115-Q117 VanDerWaalsContact C-N 3.29Å; A115-Q117 PolarHBondContact O-N 3.43Å; A115-V118 WeakPolarHBondContact O-CB 3.46Å; A115-V118 PolarHBondContact O-N 3.08Å; A115-A119 WeakPolarHBondContact O-CB 3.2Å; A115-A119 PolarHBondContact O-N 3.13Å; A115-W128 HydrophobicContact CB-CH2 4.29Å; A115-W128 HydrophobicContact CB-CZ2 4.22Å
116R98.7Very high97.9Very high82 Ų8253.7 Ų53.731%0.30927%0.268SS..Hα-helixtrans-63.3-34.9171.8-75.3176.173.1-177.23.4112.7L38 F41 I112 L113 C114 S120L38-R116 HydrophobicContact CD2-CG 3.46Å; L38-R116 VanDerWaalsContact CD2-CG 3.46Å; F41-R116 HydrophobicContact CD1-CG 4.11Å; F41-R116 HydrophobicContact CE1-CB 3.75Å; F41-R116 HydrophobicContact CE1-CG 3.8Å; F41-R116 WeakPolarHBondContact CE1-O 3.02Å; F41-R116 HydrophobicContact CE2-CG 4.45Å; F41-R116 HydrophobicContact CZ-CB 3.75Å; F41-R116 HydrophobicContact CZ-CG 3.98Å; I112-R116 HydrophobicContact CG2-CG 4.48Å; I112-R116 VanDerWaalsContact O-CG 3.25Å; I112-R116 WeakPolarHBondContact O-CG 3.45Å; I112-R116 PolarHBondContact O-N 2.76Å; L113-R116 PolarHBondContact O-N 3.01Å; C114-R116 VanDerWaalsContact C-N 3.27Å; C114-R116 PolarHBondContact O-N 2.94Å; R116-S120 VanDerWaalsContact O-CB 3.31Å; R116-S120 WeakPolarHBondContact O-CB 3.5Å; R116-S120 PolarHBondContact O-N 2.78Å; R116-S120 PolarHBondContact O-OG 2.86Å
117Q98.5Very high97.9Very high85 Ų8551.3 Ų51.340%0.39727%0.268SS..Hα-helixtrans-69.2-42.3175.2-168.3170.5-7.500110.8W84 L95 L113 C114 A115 S120 S121W84-Q117 HydrophobicContact CZ3-CG 4.23Å; L95-Q117 PolarHBondContact O-NE2 3.12Å; L95-Q117 PolarHBondContact O-OE1 3.29Å; L113-Q117 PolarHBondContact O-N 2.86Å; C114-Q117 WeakPolarHBondContact O-CA 3.13Å; C114-Q117 VanDerWaalsContact O-CB 3.26Å; C114-Q117 WeakPolarHBondContact O-CB 3.5Å; C114-Q117 PolarHBondContact O-N 2.89Å; A115-Q117 VanDerWaalsContact C-N 3.29Å; A115-Q117 PolarHBondContact O-N 3.43Å; Q117-S120 PolarHBondContact O-N 3.39Å; Q117-S120 VanDerWaalsContact O-N 3.12Å; Q117-S121 PolarHBondContact O-N 2.94Å
118V98.5Very high98Very high2 Ų246.1 Ų46.11%0.01224%0.244CC..Hα-helixtrans-57.6-51.6172.5-174.80000111.1L79 W84 C114 A115 S120 S121 A127 W128L79-V118 HydrophobicContact CD2-CG2 3.76Å; W84-V118 HydrophobicContact CD2-CG2 3.56Å; W84-V118 VanDerWaalsContact CE2-CG2 3.41Å; W84-V118 HydrophobicContact CE3-CG2 3.79Å; W84-V118 HydrophobicContact CG-CG2 4.19Å; W84-V118 HydrophobicContact CH2-CB 4.11Å; W84-V118 HydrophobicContact CH2-CG1 4.33Å; W84-V118 HydrophobicContact CH2-CG2 3.82Å; W84-V118 HydrophobicContact CZ2-CB 3.94Å; W84-V118 HydrophobicContact CZ2-CG1 3.75Å; W84-V118 HydrophobicContact CZ2-CG2 3.56Å; W84-V118 HydrophobicContact CZ3-CG2 3.92Å; C114-V118 WeakPolarHBondContact O-CG2 3.49Å; C114-V118 PolarHBondContact O-N 3.28Å; A115-V118 WeakPolarHBondContact O-CB 3.46Å; A115-V118 PolarHBondContact O-N 3.08Å; V118-S120 PolarHBondContact O-N 3.03Å; V118-S120 VanDerWaalsContact O-N 3.17Å; V118-S121 WeakPolarHBondContact O-CB 3.03Å; V118-S121 PolarHBondContact O-N 3.48Å; V118-S121 PolarHBondContact O-OG 2.92Å; V118-A127 HydrophobicContact CG1-CB 3.57Å; V118-W128 HydrophobicContact CB-CH2 3.42Å; V118-W128 VanDerWaalsContact CB-CH2 3.42Å; V118-W128 HydrophobicContact CB-CZ2 3.84Å; V118-W128 HydrophobicContact CB-CZ3 4.06Å; V118-W128 HydrophobicContact CG1-CE3 4.17Å; V118-W128 HydrophobicContact CG1-CH2 3.38Å; V118-W128 HydrophobicContact CG1-CZ2 3.71Å; V118-W128 HydrophobicContact CG1-CZ3 3.6Å; V118-W128 HydrophobicContact CG2-CH2 4.24Å; V118-W128 HydrophobicContact CG2-CZ2 4.2Å
119A98.3Very high97.9Very high3 Ų351.7 Ų51.73%0.02527%0.274CS..Hα-helixtrans-68.1-13.4178.200000114F41 W49 A115 G124 W128F41-A119 HydrophobicContact CE1-CB 4.26Å; W49-A119 HydrophobicContact CH2-CB 3.59Å; W49-A119 HydrophobicContact CZ2-CB 4.01Å; A115-A119 WeakPolarHBondContact O-CB 3.2Å; A115-A119 PolarHBondContact O-N 3.13Å; A119-G124 WeakPolarHBondContact O-CA 3.44Å; A119-W128 HydrophobicContact CB-CZ3 4.35Å
120S98.3Very high97.7Very high56 Ų5647.1 Ų47.139%0.39225%0.251SS..THydrogen-bonded Turntrans-90.2-8.5171.6-62.30000113.2F41 K42 R116 Q117 V118F41-S120 WeakPolarHBondContact CZ-OG 3.27Å; K42-S120 VanDerWaalsContact CE-OG 3.29Å; K42-S120 WeakPolarHBondContact CE-OG 3.3Å; R116-S120 VanDerWaalsContact O-CB 3.31Å; R116-S120 WeakPolarHBondContact O-CB 3.5Å; R116-S120 PolarHBondContact O-N 2.78Å; R116-S120 PolarHBondContact O-OG 2.86Å; Q117-S120 PolarHBondContact O-N 3.39Å; Q117-S120 VanDerWaalsContact O-N 3.12Å; V118-S120 PolarHBondContact O-N 3.03Å; V118-S120 VanDerWaalsContact O-N 3.17Å
121S96.8Very high97.7Very high43 Ų4345.9 Ų45.930%0.30124%0.243SC..SBendtrans-66.6170.9173.880.20000111.3Q117 V118 N123 G124Q117-S121 PolarHBondContact O-N 2.94Å; V118-S121 WeakPolarHBondContact O-CB 3.03Å; V118-S121 PolarHBondContact O-N 3.48Å; V118-S121 PolarHBondContact O-OG 2.92Å; S121-N123 PolarHBondContact O-N 2.92Å; S121-N123 VanDerWaalsContact O-N 3.1Å; S121-N123 PolarHBondContact OG-N 2.96Å; S121-G124 PolarHBondContact O-N 3.46Å; S121-G124 VanDerWaalsContact O-N 3.08Å
122K96.2Very high97.7Very high218 Ų21848.9 Ų48.995%0.94826%0.261SS*.THydrogen-bonded Turntrans-57.3-27179.1-68.4-175.2178.5-179.70113.6
123N95.9Very high97.6Very high100 Ų10056 Ų5654%0.53529%0.288SS..THydrogen-bonded Turntrans-87.7-17.8-177.6-65-12.4000112.2S121 M125 T126 A127S121-N123 PolarHBondContact O-N 2.92Å; S121-N123 VanDerWaalsContact O-N 3.1Å; S121-N123 PolarHBondContact OG-N 2.96Å; N123-M125 PolarHBondContact O-N 3.5Å; N123-T126 WeakPolarHBondContact CB-OG1 3.47Å; N123-T126 PolarHBondContact O-N 3.4Å; N123-T126 VanDerWaalsContact O-N 3.12Å; N123-T126 PolarHBondContact O-OG1 3.31Å; N123-A127 HydrophobicContact CB-CB 4.28Å
124G97.4Very high97.6Very high7 Ų754.6 Ų54.67%0.07228%0.279CS..G310 helixtrans56.4-137.9-172.700000111.5A119 S121 T126 A127A119-G124 WeakPolarHBondContact O-CA 3.44Å; S121-G124 PolarHBondContact O-N 3.46Å; S121-G124 VanDerWaalsContact O-N 3.08Å; G124-T126 PolarHBondContact O-N 2.04Å; G124-A127 WeakPolarHBondContact O-CB 3.04Å; G124-A127 PolarHBondContact O-N 2.94Å
125M97.9Very high97.5Very high0 Ų054.5 Ų54.50%028%0.278CS..G310 helixtrans-72.2-9176.7-72-169.782.400114.6Y44 D48 W49 M52 N123 A127 W128 W131Y44-M125 HydrophobicContact CD1-CB 4.34Å; Y44-M125 HydrophobicContact CD1-CG 3.9Å; Y44-M125 HydrophobicContact CD1-SD 3.41Å; Y44-M125 WeakPolarHBondContact CD1-SD 3.27Å; Y44-M125 HydrophobicContact CD2-CG 3.78Å; Y44-M125 HydrophobicContact CD2-SD 3.91Å; Y44-M125 HydrophobicContact CE1-CB 3.79Å; Y44-M125 HydrophobicContact CE1-CG 3.78Å; Y44-M125 HydrophobicContact CE1-SD 3.88Å; Y44-M125 HydrophobicContact CE2-CB 4.22Å; Y44-M125 HydrophobicContact CE2-CG 3.66Å; Y44-M125 HydrophobicContact CE2-SD 4.33Å; Y44-M125 HydrophobicContact CG-CG 3.89Å; Y44-M125 HydrophobicContact CG-SD 3.42Å; Y44-M125 PolarHBondContact OH-N 3.16Å; D48-M125 HydrophobicContact CB-CE 4.41Å; D48-M125 HydrophobicContact CB-SD 3.97Å; W49-M125 HydrophobicContact CD2-CE 4.36Å; W49-M125 HydrophobicContact CE3-CE 4.2Å; M52-M125 HydrophobicContact CB-CE 3.54Å; M52-M125 HydrophobicContact CE-CE 4.18Å; M52-M125 HydrophobicContact CG-CE 3.95Å; N123-M125 PolarHBondContact O-N 3.5Å; M125-A127 PolarHBondContact O-N 3.49Å; M125-W128 HydrophobicContact CB-CE3 4.32Å; M125-W128 HydrophobicContact CG-CE3 4.4Å; M125-W128 HydrophobicContact CG-CZ3 4.18Å; M125-W128 PolarHBondContact O-N 2.03Å; M125-W128 VanDerWaalsContact O-N 3.13Å; M125-W131 VanDerWaalsContact C-CE3 3.46Å; M125-W131 HydrophobicContact CB-CD2 3.56Å; M125-W131 HydrophobicContact CB-CE3 3.8Å; M125-W131 HydrophobicContact CB-CG 4.02Å; M125-W131 HydrophobicContact CB-CH2 4.25Å; M125-W131 HydrophobicContact CB-CZ2 4.03Å; M125-W131 HydrophobicContact CB-CZ3 4.15Å; M125-W131 VanDerWaalsContact CE-CD1 3.43Å; M125-W131 HydrophobicContact CE-CG 4Å; M125-W131 VanDerWaalsContact O-CE3 3.29Å
126T97.6Very high97.5Very high66 Ų6657 Ų5741%0.40530%0.295SS..G310 helixtrans-70.9-7.2172.670.90000112.8N123 G124 W128 W131N123-T126 WeakPolarHBondContact CB-OG1 3.47Å; N123-T126 PolarHBondContact O-N 3.4Å; N123-T126 VanDerWaalsContact O-N 3.12Å; N123-T126 PolarHBondContact O-OG1 3.31Å; G124-T126 PolarHBondContact O-N 2.04Å; T126-W128 PolarHBondContact O-N 3.04Å; T126-W131 HydrophobicContact CG2-CE3 4.33Å; T126-W131 HydrophobicContact CG2-CZ3 3.63Å
127A97.4Very high97.3Very high42 Ų4257.2 Ų57.235%0.34732%0.323SS..G310 helixtrans-61.5-22.116800000112.7V118 N123 G124 M125V118-A127 HydrophobicContact CG1-CB 3.57Å; N123-A127 HydrophobicContact CB-CB 4.28Å; G124-A127 WeakPolarHBondContact O-CB 3.04Å; G124-A127 PolarHBondContact O-N 2.94Å; M125-A127 PolarHBondContact O-N 3.49Å
128W98.1Very high97.1Very high11 Ų1158.6 Ų58.64%0.04233%0.33CS..SBendtrans-99.2109.5171.9-68.1-85.7000109.9W49 M52 E56 F77 L79 A115 V118 A119 M125 T126 S130 W131 T132W49-W128 HydrophobicContact CZ3-CH2 4.22Å; M52-W128 HydrophobicContact CE-CD2 4.15Å; M52-W128 HydrophobicContact CE-CH2 4.25Å; M52-W128 HydrophobicContact CE-CZ2 3.94Å; M52-W128 HydrophobicContact CG-CB 3.99Å; M52-W128 HydrophobicContact CG-CD2 4.17Å; M52-W128 HydrophobicContact CG-CG 3.86Å; M52-W128 HydrophobicContact SD-CD2 4.17Å; M52-W128 HydrophobicContact SD-CG 4.05Å; E56-W128 WeakPolarHBondContact OE1-CB 3.45Å; F77-W128 PolarHBondContact O-NE1 3.44Å; L79-W128 HydrophobicContact CD2-CZ2 4.37Å; A115-W128 HydrophobicContact CB-CH2 4.29Å; A115-W128 HydrophobicContact CB-CZ2 4.22Å; V118-W128 HydrophobicContact CB-CH2 3.42Å; V118-W128 VanDerWaalsContact CB-CH2 3.42Å; V118-W128 HydrophobicContact CB-CZ2 3.84Å; V118-W128 HydrophobicContact CB-CZ3 4.06Å; V118-W128 HydrophobicContact CG1-CE3 4.17Å; V118-W128 HydrophobicContact CG1-CH2 3.38Å; V118-W128 HydrophobicContact CG1-CZ2 3.71Å; V118-W128 HydrophobicContact CG1-CZ3 3.6Å; V118-W128 HydrophobicContact CG2-CH2 4.24Å; V118-W128 HydrophobicContact CG2-CZ2 4.2Å; A119-W128 HydrophobicContact CB-CZ3 4.35Å; M125-W128 HydrophobicContact CB-CE3 4.32Å; M125-W128 HydrophobicContact CG-CE3 4.4Å; M125-W128 HydrophobicContact CG-CZ3 4.18Å; M125-W128 PolarHBondContact O-N 2.03Å; M125-W128 VanDerWaalsContact O-N 3.13Å; T126-W128 PolarHBondContact O-N 3.04Å; W128-S130 PolarHBondContact O-N 2.63Å; W128-W131 HydrophobicContact CB-CB 3.96Å; W128-W131 PolarHBondContact O-N 3.38Å; W128-W131 VanDerWaalsContact O-N 3.12Å; W128-T132 PolarHBondContact O-N 2.92Å; W128-T132 PolarHBondContact O-OG1 3.33Å
129D96.1Very high96.9Very high116 Ų11668.1 Ų68.162%0.6237%0.367SS*.Hα-helixtrans-60.1-31.8178.7-80.9-10.8000111.8T132 R133D129-T132 PolarHBondContact O-N 3.46Å; D129-R133 WeakPolarHBondContact O-CB 3.05Å; D129-R133 WeakPolarHBondContact O-CG 3.26Å; D129-R133 PolarHBondContact O-N 2.93Å; D129-R133 VanDerWaalsContact O-N 3.09Å; D129-R133 PolarHBondContact O-NE 3.12Å; D129-R133 VanDerWaalsContact O-NE 3.12Å
130S94.8Very high96.9Very high13 Ų1368.9 Ų68.99%0.09137%0.37CS..Hα-helixtrans-70.2-37.2177.7-49.80000111.9E56 W128 R133 H134E56-S130 WeakPolarHBondContact OE1-CB 3.24Å; E56-S130 PolarHBondContact OE1-OG 2.76Å; E56-S130 VanDerWaalsContact OE1-OG 3.08Å; W128-S130 PolarHBondContact O-N 2.63Å; S130-R133 PolarHBondContact O-N 2.91Å; S130-R133 PolarHBondContact OG-NH2 3.01Å; S130-R133 VanDerWaalsContact OG-NH2 3.14Å; S130-H134 WeakPolarHBondContact O-CB 3.43Å; S130-H134 PolarHBondContact O-CD2 3.17Å; S130-H134 VanDerWaalsContact O-CD2 3.25Å; S130-H134 PolarHBondContact O-N 3.29Å
131W97.9Very high96.7Very high17 Ų1768.2 Ų68.26%0.06437%0.366CS..Hα-helixtrans-62.3-44.9172.617784.8000111.4Y44 M52 M125 T126 W128 R133 C135 S136Y44-W131 HydrophobicContact CD1-CZ2 4.29Å; Y44-W131 HydrophobicContact CE1-CH2 4.14Å; Y44-W131 AromaticContact CE1-CZ2 3.79Å; Y44-W131 HydrophobicContact CE1-CZ2 3.79Å; M52-W131 HydrophobicContact CB-CB 4.11Å; M52-W131 HydrophobicContact CB-CG 4.43Å; M52-W131 HydrophobicContact CG-CB 4Å; M125-W131 VanDerWaalsContact C-CE3 3.46Å; M125-W131 HydrophobicContact CB-CD2 3.56Å; M125-W131 HydrophobicContact CB-CE3 3.8Å; M125-W131 HydrophobicContact CB-CG 4.02Å; M125-W131 HydrophobicContact CB-CH2 4.25Å; M125-W131 HydrophobicContact CB-CZ2 4.03Å; M125-W131 HydrophobicContact CB-CZ3 4.15Å; M125-W131 VanDerWaalsContact CE-CD1 3.43Å; M125-W131 HydrophobicContact CE-CG 4Å; M125-W131 VanDerWaalsContact O-CE3 3.29Å; T126-W131 HydrophobicContact CG2-CE3 4.33Å; T126-W131 HydrophobicContact CG2-CZ3 3.63Å; W128-W131 HydrophobicContact CB-CB 3.96Å; W128-W131 PolarHBondContact O-N 3.38Å; W128-W131 VanDerWaalsContact O-N 3.12Å; W131-R133 VanDerWaalsContact C-N 3.29Å; W131-R133 PolarHBondContact O-N 2.73Å; W131-C135 HydrophobicContact CG-CB 3.99Å; W131-C135 WeakPolarHBondContact O-CA 3.05Å; W131-C135 VanDerWaalsContact O-CB 3.28Å; W131-C135 WeakPolarHBondContact O-CB 3.39Å; W131-C135 PolarHBondContact O-N 3.18Å; W131-S136 WeakPolarHBondContact CH2-OG 3.4Å; W131-S136 PolarHBondContact O-N 2.95Å
132T97.4Very high96.6Very high64 Ų6471.6 Ų71.639%0.39338%0.377SS..Hα-helixtrans-61.4-39.1179-58.10000111.9W128 D129W128-T132 PolarHBondContact O-N 2.92Å; W128-T132 PolarHBondContact O-OG1 3.33Å; D129-T132 PolarHBondContact O-N 3.46Å
133R97.8Very high96.6Very high152 Ų15263.1 Ų63.157%0.57434%0.339SS*.Hα-helixtrans-78.6-34.2-177.1-74.9179.7-69.1140.4-2114.4D129 S130 W131D129-R133 WeakPolarHBondContact O-CB 3.05Å; D129-R133 WeakPolarHBondContact O-CG 3.26Å; D129-R133 PolarHBondContact O-N 2.93Å; D129-R133 VanDerWaalsContact O-N 3.09Å; D129-R133 PolarHBondContact O-NE 3.12Å; D129-R133 VanDerWaalsContact O-NE 3.12Å; S130-R133 PolarHBondContact O-N 2.91Å; S130-R133 PolarHBondContact OG-NH2 3.01Å; S130-R133 VanDerWaalsContact OG-NH2 3.14Å; W131-R133 VanDerWaalsContact C-N 3.29Å; W131-R133 PolarHBondContact O-N 2.73Å
134H97.8Very high96.7Very high67 Ų6760 Ų6031%0.3132%0.322SS..Hα-helixtrans-120.1-15.4-166.7-57.2-68.9000114.8Y55 S130Y55-H134 HydrophobicContact CD1-CB 4Å; Y55-H134 AromaticContact CD1-CD2 3.47Å; Y55-H134 VanDerWaalsContact CD1-CD2 3.47Å; Y55-H134 WeakPolarHBondContact CD1-CD2 3.41Å; Y55-H134 AromaticContact CD1-CG 3.64Å; Y55-H134 AromaticContact CD1-NE2 3.87Å; Y55-H134 HydrophobicContact CD2-CB 3.49Å; Y55-H134 VanDerWaalsContact CD2-CB 3.49Å; Y55-H134 HydrophobicContact CE1-CB 3.9Å; Y55-H134 AromaticContact CE1-CD2 3.9Å; Y55-H134 AromaticContact CE1-CG 3.62Å; Y55-H134 AromaticContact CE1-ND1 3.77Å; Y55-H134 HydrophobicContact CE2-CB 3.39Å; Y55-H134 HydrophobicContact CG-CB 3.8Å; Y55-H134 AromaticContact CG-CD2 3.69Å; Y55-H134 AromaticContact CG-CG 3.87Å; Y55-H134 AromaticContact CZ-CG 3.83Å; S130-H134 WeakPolarHBondContact O-CB 3.43Å; S130-H134 PolarHBondContact O-CD2 3.17Å; S130-H134 VanDerWaalsContact O-CD2 3.25Å; S130-H134 PolarHBondContact O-N 3.29Å
135C98Very high96.6Very high1 Ų165.4 Ų65.41%0.00734%0.344CS..THydrogen-bonded Turntrans-121.4-47-170-53.20000112.8C51 W131 G137 H138 L140C51-C135 HydrophobicContact CB-CB 3.78Å; C51-C135 WeakPolarHBondContact CB-SG 2.86Å; C51-C135 VanDerWaalsContact SG-CA 3.5Å; C51-C135 WeakPolarHBondContact SG-CB 3.48Å; C51-C135 CovalentContact SG-SG 2.03Å; C51-C135 PolarHBondContact SG-SG 2.96Å; W131-C135 HydrophobicContact CG-CB 3.99Å; W131-C135 WeakPolarHBondContact O-CA 3.05Å; W131-C135 VanDerWaalsContact O-CB 3.28Å; W131-C135 WeakPolarHBondContact O-CB 3.39Å; W131-C135 PolarHBondContact O-N 3.18Å; C135-G137 PolarHBondContact O-N 2.69Å; C135-H138 WeakPolarHBondContact O-CB 3.31Å; C135-H138 PolarHBondContact O-N 3.42Å; C135-H138 VanDerWaalsContact O-N 3.09Å; C135-L140 HydrophobicContact CB-CD1 4.28Å
136S97.4Very high96.5Very high51 Ų5169.3 Ų69.336%0.35738%0.383SS..THydrogen-bonded Turntrans-59.1126.6-177.3-173.30000111.8W131 H138W131-S136 WeakPolarHBondContact CH2-OG 3.4Å; W131-S136 PolarHBondContact O-N 2.95Å; S136-H138 PolarHBondContact O-CD2 3.09Å; S136-H138 PolarHBondContact O-N 3.1Å
137G95.3Very high96.4Very high87 Ų8767.1 Ų67.190%0.89737%0.37SS*.THydrogen-bonded Turntrans75.92.3-179.900000115.4C135C135-G137 PolarHBondContact O-N 2.69Å
138H94.5Very high96.1Very high115 Ų11570.5 Ų70.553%0.53238%0.383SS..SBendtrans-92.2158.1175-69.4-87.5000112.2C135 S136 L140C135-H138 WeakPolarHBondContact O-CB 3.31Å; C135-H138 PolarHBondContact O-N 3.42Å; C135-H138 VanDerWaalsContact O-N 3.09Å; S136-H138 PolarHBondContact O-CD2 3.09Å; S136-H138 PolarHBondContact O-N 3.1Å; H138-L140 HydrophobicContact CB-CD2 3.95Å; H138-L140 PolarHBondContact O-N 3.19Å
139Y95Very high95.4Very high202 Ų20272 Ų7279%0.79239%0.391SS*.  trans-82.6108.7172.4-166.7-113.5000109.8S141Y139-S141 WeakPolarHBondContact CD1-OG 3.31Å; Y139-S141 WeakPolarHBondContact CE1-OG 3.11Å
140L96.8Very high94.1Very high18 Ų1875 Ų759%0.09440%0.4CS..  trans-99.76.6-168-60.8-175.4000114.5E47 D48 C51 C135 H138 E142 W143E47-L140 HydrophobicContact CB-CB 3.65Å; E47-L140 HydrophobicContact CG-CB 4.45Å; E47-L140 WeakPolarHBondContact CG-O 3.16Å; D48-L140 WeakPolarHBondContact OD1-CD1 3.29Å; C51-L140 HydrophobicContact CB-CD1 4.09Å; C51-L140 HydrophobicContact CB-CD2 4.2Å; C135-L140 HydrophobicContact CB-CD1 4.28Å; H138-L140 HydrophobicContact CB-CD2 3.95Å; H138-L140 PolarHBondContact O-N 3.19Å; L140-E142 PolarHBondContact O-N 3.06Å; L140-W143 VanDerWaalsContact O-CB 3.29Å; L140-W143 WeakPolarHBondContact O-CB 3.41Å; L140-W143 VanDerWaalsContact O-CD1 3.23Å; L140-W143 PolarHBondContact O-N 2.92Å
141S94.8Very high92.1Very high43 Ų4377.7 Ų77.730%0.30142%0.424SS..G310 helixtrans-59-25.2-175.967.50000114.9Y139 W143 L144 K145Y139-S141 WeakPolarHBondContact CD1-OG 3.31Å; Y139-S141 WeakPolarHBondContact CE1-OG 3.11Å; S141-W143 PolarHBondContact O-N 3.26Å; S141-L144 PolarHBondContact O-N 3.06Å; S141-L144 VanDerWaalsContact O-N 3.15Å; S141-K145 PolarHBondContact O-N 2.97Å
142E94.5Very high89.6Confident113 Ų11385 Ų8553%0.52846%0.456SS..G310 helixtrans-60.2-25.4174.6-70.7-70.9147.500111.8R26 L140 L144 K145R26-E142 PolarHBondContact NH1-O 2.67Å; L140-E142 PolarHBondContact O-N 3.06Å; E142-L144 PolarHBondContact O-N 2.9Å; E142-K145 VanDerWaalsContact CD-NZ 3.26Å; E142-K145 WeakPolarHBondContact O-CB 3.38Å; E142-K145 PolarHBondContact O-N 3.37Å; E142-K145 IonicContact OE1-NZ 2.78Å; E142-K145 PolarHBondContact OE1-NZ 2.97Å; E142-K145 WeakPolarHBondContact OE2-CD 3.35Å; E142-K145 IonicContact OE2-NZ 2.87Å; E142-K145 PolarHBondContact OE2-NZ 3.22Å
143W96.9Very high87.1Confident41 Ų4187.4 Ų87.416%0.15548%0.475CS..G310 helixtrans-66.7-19.9177.1-72103000114.4R26 E47 L50 C51 H54 Y55 F59 L140 S141R26-W143 WeakPolarHBondContact CD-O 3.34Å; R26-W143 HydrophobicContact CG-CE3 4.25Å; R26-W143 PolarHBondContact NH1-O 2.99Å; E47-W143 HydrophobicContact CB-CB 4.09Å; E47-W143 HydrophobicContact CG-CB 4.12Å; L50-W143 HydrophobicContact CB-CB 4.23Å; L50-W143 HydrophobicContact CB-CD2 4.19Å; L50-W143 HydrophobicContact CB-CE3 3.91Å; L50-W143 HydrophobicContact CB-CG 4.35Å; L50-W143 HydrophobicContact CD1-CB 4.16Å; L50-W143 WeakPolarHBondContact CD1-O 3.41Å; C51-W143 HydrophobicContact CB-CD2 4.35Å; C51-W143 HydrophobicContact CB-CZ2 4.12Å; H54-W143 HydrophobicContact CB-CH2 3.33Å; H54-W143 HydrophobicContact CB-CZ2 4.17Å; H54-W143 HydrophobicContact CB-CZ3 3.74Å; H54-W143 AromaticContact CD2-CH2 3.55Å; H54-W143 AromaticContact CG-CH2 3.33Å; H54-W143 AromaticContact CG-CZ3 3.94Å; H54-W143 AromaticContact ND1-CH2 3.99Å; Y55-W143 HydrophobicContact CE2-CZ2 4.37Å; F59-W143 HydrophobicContact CE2-CZ3 4.27Å; F59-W143 HydrophobicContact CZ-CE3 4.24Å; F59-W143 AromaticContact CZ-CZ3 3.68Å; F59-W143 HydrophobicContact CZ-CZ3 3.68Å; L140-W143 VanDerWaalsContact O-CB 3.29Å; L140-W143 WeakPolarHBondContact O-CB 3.41Å; L140-W143 VanDerWaalsContact O-CD1 3.23Å; L140-W143 PolarHBondContact O-N 2.92Å; S141-W143 PolarHBondContact O-N 3.26Å
144L96.7Very high84.6Confident35 Ų3586.5 Ų86.518%0.18348%0.482CS..G310 helixtrans-110.8-1.2172.7-73.2-172000113.8A30 I46 E47 L50 S141 E142 G146 C147 M149A30-L144 HydrophobicContact CB-CD2 3.68Å; I46-L144 HydrophobicContact CG2-CD2 4Å; E47-L144 VanDerWaalsContact CD-CD1 3.4Å; E47-L144 HydrophobicContact CG-CB 4.45Å; E47-L144 HydrophobicContact CG-CD1 4.14Å; E47-L144 HydrophobicContact CG-CG 3.86Å; E47-L144 VanDerWaalsContact OE1-CD1 3.3Å; E47-L144 WeakPolarHBondContact OE1-CD1 3.02Å; L50-L144 HydrophobicContact CD1-CD2 3.88Å; S141-L144 PolarHBondContact O-N 3.06Å; S141-L144 VanDerWaalsContact O-N 3.15Å; E142-L144 PolarHBondContact O-N 2.9Å; L144-G146 PolarHBondContact O-N 2.94Å; L144-C147 HydrophobicContact CD2-CB 4.39Å; L144-C147 WeakPolarHBondContact O-CB 3.49Å; L144-C147 PolarHBondContact O-N 3.33Å; L144-M149 HydrophobicContact CD1-CE 4.33Å; L144-M149 HydrophobicContact CD1-CG 4.3Å; L144-M149 HydrophobicContact CD2-CE 3.86Å; L144-M149 HydrophobicContact CD2-CG 4.13Å; L144-M149 HydrophobicContact CD2-SD 3.72Å
145K95.9Very high82.1Confident120 Ų12088.5 Ų88.552%0.52250%0.503SS..THydrogen-bonded Turntrans-57.5125.8179.2-171.7176.4-176.6173.60111.2R26 S141 E142 C147R26-K145 PolarHBondContact NH1-O 3.32Å; R26-K145 PolarHBondContact NH2-O 3.02Å; S141-K145 PolarHBondContact O-N 2.97Å; E142-K145 VanDerWaalsContact CD-NZ 3.26Å; E142-K145 WeakPolarHBondContact O-CB 3.38Å; E142-K145 PolarHBondContact O-N 3.37Å; E142-K145 IonicContact OE1-NZ 2.78Å; E142-K145 PolarHBondContact OE1-NZ 2.97Å; E142-K145 WeakPolarHBondContact OE2-CD 3.35Å; E142-K145 IonicContact OE2-NZ 2.87Å; E142-K145 PolarHBondContact OE2-NZ 3.22Å; K145-C147 PolarHBondContact O-N 2.75Å
146G95.1Very high79.5Confident81 Ų8197 Ų9784%0.83554%0.54SS*.THydrogen-bonded Turntrans76.10.7-178.100000115.5L144L144-G146 PolarHBondContact O-N 2.94Å
147C95.8Very high77.1Confident20 Ų20103.2 Ų103.214%0.13556%0.561CS.*  trans-82.7132.2173.1-580000110.9R26 C27 L144 K145 M149R26-C147 PolarHBondContact NH1-SG 2.92Å; C27-C147 WeakPolarHBondContact CA-SG 3.43Å; C27-C147 HydrophobicContact CB-CB 3.73Å; C27-C147 WeakPolarHBondContact CB-SG 3.36Å; C27-C147 WeakPolarHBondContact SG-CA 3.36Å; C27-C147 WeakPolarHBondContact SG-CB 2.8Å; C27-C147 CovalentContact SG-SG 2.04Å; C27-C147 PolarHBondContact SG-SG 2.89Å; L144-C147 HydrophobicContact CD2-CB 4.39Å; L144-C147 WeakPolarHBondContact O-CB 3.49Å; L144-C147 PolarHBondContact O-N 3.33Å; K145-C147 PolarHBondContact O-N 2.75Å; C147-M149 HydrophobicContact CB-CG 4.11Å; C147-M149 HydrophobicContact CB-SD 3.96Å; C147-M149 PolarHBondContact O-N 3.24Å
148N90.9Very high75Confident113 Ų113105.2 Ų105.260%0.60455%0.549SS*.  trans-88.181.1173.1-172.30.2000110.5H150N148-H150 PolarHBondContact O-N 3.2Å; N148-H150 PolarHBondContact OD1-N 3.22Å
149M84.3Confident73Confident42 Ų42107.2 Ų107.221%0.20756%0.564CS.*THydrogen-bonded Turntrans-73-7.4-176.4-60.5-61.4-75.400113.9A30 M31 E34 I46 L144 C147A30-M149 HydrophobicContact CB-CE 3.96Å; A30-M149 HydrophobicContact CB-SD 3.73Å; M31-M149 HydrophobicContact CG-SD 4.36Å; E34-M149 HydrophobicContact CB-CE 3.97Å; E34-M149 HydrophobicContact CG-CE 4.31Å; I46-M149 HydrophobicContact CG2-CE 4.22Å; L144-M149 HydrophobicContact CD1-CE 4.33Å; L144-M149 HydrophobicContact CD1-CG 4.3Å; L144-M149 HydrophobicContact CD2-CE 3.86Å; L144-M149 HydrophobicContact CD2-CG 4.13Å; L144-M149 HydrophobicContact CD2-SD 3.72Å; C147-M149 HydrophobicContact CB-CG 4.11Å; C147-M149 HydrophobicContact CB-SD 3.96Å; C147-M149 PolarHBondContact O-N 3.24Å
150H68.6Low70.5Confident179 Ų179106 Ų10683%0.82959%0.585SS**THydrogen-bonded Turntrans-101.817.4-173.5-65.5-56.8000115N148 K152N148-H150 PolarHBondContact O-N 3.2Å; N148-H150 PolarHBondContact OD1-N 3.22Å; H150-K152 PolarHBondContact O-N 3.27Å
151A52.4Low69.2Low70 Ų70110.5 Ų110.558%0.57961%0.61SS**  trans-76.485.8179.800000112.8
152K44.8Very low67.9Low172 Ų172114 Ų11475%0.74863%0.626SS**  trans65.992.1157-59.5-175.9-180179.20117.6H150 D154H150-K152 PolarHBondContact O-N 3.27Å; K152-D154 VanDerWaalsContact C-N 3.34Å; K152-D154 PolarHBondContact O-N 2.89Å; K152-D154 VanDerWaalsContact O-N 3.16Å
153S45.2Very low66.4Low113 Ų113114.1 Ų114.179%0.7963%0.632SS**  -57.6108.4128.6174.40000106.3S155S153-S155 VanDerWaalsContact C-N 3.32Å; S153-S155 PolarHBondContact O-N 3.19Å
154D45.4Very low64.6Low134 Ų134118.4 Ų118.472%0.71766%0.66SS**  trans-54.9104169.4-86.7-37.5000107.2K152 K156K152-D154 VanDerWaalsContact C-N 3.34Å; K152-D154 PolarHBondContact O-N 2.89Å; K152-D154 VanDerWaalsContact O-N 3.16Å; D154-K156 PolarHBondContact O-N 3.18Å
155S46.4Very low62.6Low108 Ų108123.6 Ų123.676%0.75569%0.69SS**  trans-66.272.2162.2-73.90000107.9S153 K157S153-S155 VanDerWaalsContact C-N 3.32Å; S153-S155 PolarHBondContact O-N 3.19Å; S155-K157 PolarHBondContact O-N 3.13Å
156K43.6Very low60.4Low179 Ų179123.8 Ų123.878%0.77870%0.701SS**  trans-78.467.1152.9-144.8178.5-171.7-178.70106.4D154 I158D154-K156 PolarHBondContact O-N 3.18Å; K156-I158 HydrophobicContact CG-CG1 4.12Å; K156-I158 PolarHBondContact O-N 3.1Å
157K45.5Very low57.9Low183 Ų183126.9 Ų126.980%0.79669%0.691SS**  trans-61.794.7151.3-95.7-174.2176.7-176.60104.8S155 N159S155-K157 PolarHBondContact O-N 3.13Å; K157-N159 VanDerWaalsContact C-N 3.32Å; K157-N159 PolarHBondContact O-N 3.2Å
158I52.4Low55Low128 Ų128135.1 Ų135.166%0.65673%0.734SS**  trans-66.5101.6165.1-64.9173.1000104.8K156 S160K156-I158 HydrophobicContact CG-CG1 4.12Å; K156-I158 PolarHBondContact O-N 3.1Å; I158-S160 PolarHBondContact O-N 3.18Å
159N51.9Low52Low158 Ų158136.9 Ų136.985%0.84575%0.745SS**  trans-67.6105.6151.2-70.3-21.8000106.2K157K157-N159 VanDerWaalsContact C-N 3.32Å; K157-N159 PolarHBondContact O-N 3.2Å
160S43.4Very low49.1Very low177 Ų177145.5 Ų145.5100%1.23879%0.794SS**  trans-154.80147.9-171.30000109.7I158I158-S160 PolarHBondContact O-N 3.18Å

Retrieved 160 of 160 residues in 121.3 ms (Link to these results)

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