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NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 9

Accessory subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I), that is believed to be not involved in catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone.

AlphaFold DB , UniProt , Accession A0A060XFQ1, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene ndufb9, Length 175 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
1M46.1Very low85.7Confident206 Ų20697.5 Ų97.5100%1.01552%0.521SS*.  0129.90-62.8-170-16900107.7T3M1-T3 PolarHBondContact O-N 3.23Å; M1-T3 VanDerWaalsContact O-N 3.1Å
2A58.5Low86.7Confident57 Ų5792.7 Ų92.747%0.47150%0.497SS..  trans-61112.8170.800000107.7
3T77.8Confident87.6Confident80 Ų8092.4 Ų92.449%0.49149%0.494SS..  trans-96.5141.3177.254.80000108.5M1 Y5M1-T3 PolarHBondContact O-N 3.23Å; M1-T3 VanDerWaalsContact O-N 3.1Å; T3-Y5 WeakPolarHBondContact CB-O 3.49Å; T3-Y5 PolarHBondContact O-N 3.14Å; T3-Y5 VanDerWaalsContact O-N 3.09Å; T3-Y5 PolarHBondContact OG1-O 3.39Å
4A89.3Confident88.3Confident108 Ų10895.9 Ų95.989%0.89350%0.497SS*.SBendtrans-58.7-24.917900000112.9
5Y93.8Very high89Confident173 Ų17390.2 Ų90.268%0.67847%0.468SS*.SBendtrans-146.4165.517956.2-91.5000111.2T3T3-Y5 WeakPolarHBondContact CB-O 3.49Å; T3-Y5 PolarHBondContact O-N 3.14Å; T3-Y5 VanDerWaalsContact O-N 3.09Å; T3-Y5 PolarHBondContact OG1-O 3.39Å
6L95.7Very high89.6Confident57 Ų5787.7 Ų87.730%0.29845%0.451SS..  trans-87.7131.2171.1-59.4176.2000110.3Q10 K11 R14L6-Q10 HydrophobicContact CB-CB 4.45Å; L6-K11 HydrophobicContact CB-CG 3.93Å; L6-K11 HydrophobicContact CD1-CG 4.49Å; L6-R14 VanDerWaalsContact CD1-NH1 3.31Å; L6-R14 VanDerWaalsContact CD2-CZ 3.4Å; L6-R14 VanDerWaalsContact CD2-NH2 3.26Å
7T96.3Very high90.1Very high59 Ų5991 Ų9136%0.36246%0.461SS..  trans-68.3157.217271.50000110.6H9 Q10 K11T7-H9 VanDerWaalsContact C-N 3.26Å; T7-H9 PolarHBondContact O-N 3.07Å; T7-Q10 WeakPolarHBondContact O-CB 3.19Å; T7-Q10 PolarHBondContact O-N 3.27Å; T7-Q10 VanDerWaalsContact OG1-CG 3.32Å; T7-Q10 WeakPolarHBondContact OG1-CG 3.16Å; T7-Q10 PolarHBondContact OG1-N 3.45Å; T7-K11 WeakPolarHBondContact O-CG 3.26Å; T7-K11 PolarHBondContact O-N 3.22Å
8H95.6Very high90.5Very high51 Ų5192.6 Ų92.624%0.23646%0.464CS..Hα-helixtrans-52.2-47.1175.9178.7-92.6000111.7Q10 K11 V12 M53 A56H8-Q10 PolarHBondContact O-N 3.42Å; H8-K11 WeakPolarHBondContact O-CB 3.3Å; H8-K11 PolarHBondContact O-N 3.04Å; H8-K11 VanDerWaalsContact O-N 3.09Å; H8-V12 WeakPolarHBondContact O-CG2 3.42Å; H8-V12 PolarHBondContact O-N 3.3Å; H8-M53 HydrophobicContact CB-CE 3.91Å; H8-A56 PolarHBondContact NE2-O 2.91Å
9H95.2Very high90.9Very high123 Ų12388.9 Ų88.957%0.56945%0.448SS*.Hα-helixtrans-56.5-45175.7177-107.6000112.7T7 K11 V12 L13T7-H9 VanDerWaalsContact C-N 3.26Å; T7-H9 PolarHBondContact O-N 3.07Å; H9-K11 VanDerWaalsContact C-N 3.33Å; H9-K11 PolarHBondContact O-N 3.39Å; H9-V12 PolarHBondContact O-N 3.26Å; H9-L13 WeakPolarHBondContact CE1-CD1 3.19Å; H9-L13 WeakPolarHBondContact O-CG 3.19Å; H9-L13 PolarHBondContact O-N 2.94Å
10Q97Very high91.3Very high65 Ų6585.7 Ų85.730%0.30443%0.432SS..Hα-helixtrans-63.7-36.5176.4-72.6170.1-21.600112.5L6 T7 H8 R14L6-Q10 HydrophobicContact CB-CB 4.45Å; T7-Q10 WeakPolarHBondContact O-CB 3.19Å; T7-Q10 PolarHBondContact O-N 3.27Å; T7-Q10 VanDerWaalsContact OG1-CG 3.32Å; T7-Q10 WeakPolarHBondContact OG1-CG 3.16Å; T7-Q10 PolarHBondContact OG1-N 3.45Å; H8-Q10 PolarHBondContact O-N 3.42Å; Q10-R14 WeakPolarHBondContact O-CB 3.46Å; Q10-R14 VanDerWaalsContact O-CG 3.25Å; Q10-R14 WeakPolarHBondContact O-CG 3.41Å; Q10-R14 PolarHBondContact O-N 3.49Å
11K97.7Very high91.6Very high94 Ų9486.2 Ų86.241%0.40943%0.429SS..Hα-helixtrans-64.7-47.1175.8-64.9179-178-176.20111.2L6 T7 H8 H9 L13 R14 L15 L60L6-K11 HydrophobicContact CB-CG 3.93Å; L6-K11 HydrophobicContact CD1-CG 4.49Å; T7-K11 WeakPolarHBondContact O-CG 3.26Å; T7-K11 PolarHBondContact O-N 3.22Å; H8-K11 WeakPolarHBondContact O-CB 3.3Å; H8-K11 PolarHBondContact O-N 3.04Å; H8-K11 VanDerWaalsContact O-N 3.09Å; H9-K11 VanDerWaalsContact C-N 3.33Å; H9-K11 PolarHBondContact O-N 3.39Å; K11-L13 PolarHBondContact O-N 3.47Å; K11-R14 PolarHBondContact O-N 3.47Å; K11-L15 PolarHBondContact O-N 3.08Å; K11-L60 HydrophobicContact CB-CD2 3.72Å; K11-L60 HydrophobicContact CD-CD2 4.11Å
12V97.6Very high94.1Very high39 Ų3977.8 Ų77.824%0.23639%0.387CS..Hα-helixtrans-57.8-47.3175.3175.60000111.1H8 H9 R14 L15 Y16 F44 L60H8-V12 WeakPolarHBondContact O-CG2 3.42Å; H8-V12 PolarHBondContact O-N 3.3Å; H9-V12 PolarHBondContact O-N 3.26Å; V12-R14 VanDerWaalsContact C-N 3.32Å; V12-R14 PolarHBondContact O-N 3.28Å; V12-L15 PolarHBondContact O-N 3.41Å; V12-Y16 WeakPolarHBondContact O-CB 3.49Å; V12-Y16 PolarHBondContact O-N 3.47Å; V12-F44 HydrophobicContact CG1-CD1 4.17Å; V12-F44 HydrophobicContact CG1-CE1 4.16Å; V12-L60 HydrophobicContact CG2-CD1 4.04Å; V12-L60 HydrophobicContact CG2-CD2 4.5Å
13L97.9Very high95.9Very high89 Ų8976.6 Ų76.647%0.46637%0.372SS..Hα-helixtrans-62.5-37.6178.1-72-178.1000112.9H9 K11 K17H9-L13 WeakPolarHBondContact CE1-CD1 3.19Å; H9-L13 WeakPolarHBondContact O-CG 3.19Å; H9-L13 PolarHBondContact O-N 2.94Å; K11-L13 PolarHBondContact O-N 3.47Å; L13-K17 WeakPolarHBondContact O-CB 3.45Å; L13-K17 PolarHBondContact O-N 3.3Å
14R98.1Very high96.9Very high142 Ų14274.4 Ų74.454%0.53636%0.357SS..Hα-helixtrans-67.7-43.7175.8-75.2175-177.8-145.3-0111.3L6 Q10 K11 V12 K17 K18L6-R14 VanDerWaalsContact CD1-NH1 3.31Å; L6-R14 VanDerWaalsContact CD2-CZ 3.4Å; L6-R14 VanDerWaalsContact CD2-NH2 3.26Å; Q10-R14 WeakPolarHBondContact O-CB 3.46Å; Q10-R14 VanDerWaalsContact O-CG 3.25Å; Q10-R14 WeakPolarHBondContact O-CG 3.41Å; Q10-R14 PolarHBondContact O-N 3.49Å; K11-R14 PolarHBondContact O-N 3.47Å; V12-R14 VanDerWaalsContact C-N 3.32Å; V12-R14 PolarHBondContact O-N 3.28Å; R14-K17 PolarHBondContact O-N 2.95Å; R14-K18 WeakPolarHBondContact O-CB 3.42Å; R14-K18 WeakPolarHBondContact O-CG 3.41Å; R14-K18 PolarHBondContact O-N 3.37Å
15L98.3Very high97.3Very high10 Ų1070 Ų705%0.05232%0.319CS..Hα-helixtrans-58.8-51.217417961.8000110.3K11 V12 K17 K18 S19 F44 L60 E64 F67K11-L15 PolarHBondContact O-N 3.08Å; V12-L15 PolarHBondContact O-N 3.41Å; L15-K17 VanDerWaalsContact C-N 3.35Å; L15-K17 PolarHBondContact O-N 3.31Å; L15-K18 WeakPolarHBondContact O-CB 3.34Å; L15-K18 PolarHBondContact O-N 3.35Å; L15-S19 PolarHBondContact O-N 2.95Å; L15-S19 PolarHBondContact O-OG 3.3Å; L15-F44 HydrophobicContact CD2-CZ 4.42Å; L15-F44 HydrophobicContact CG-CZ 4.32Å; L15-L60 HydrophobicContact CB-CD1 4.37Å; L15-L60 HydrophobicContact CD2-CD1 3.75Å; L15-E64 HydrophobicContact CD1-CG 4.16Å; L15-E64 HydrophobicContact CD2-CG 4.14Å; L15-F67 HydrophobicContact CD1-CB 3.81Å; L15-F67 HydrophobicContact CD1-CD1 4.45Å; L15-F67 HydrophobicContact CD1-CG 4.01Å
16Y98.3Very high97.5Very high50 Ų5068.5 Ų68.520%0.19631%0.313CS..Hα-helixtrans-54-48177.1176.7-106000112.6V12 K18 S19 L20 R41 F44V12-Y16 WeakPolarHBondContact O-CB 3.49Å; V12-Y16 PolarHBondContact O-N 3.47Å; Y16-K18 PolarHBondContact O-N 3.16Å; Y16-S19 PolarHBondContact O-N 2.92Å; Y16-L20 HydrophobicContact CD1-CD1 4.31Å; Y16-L20 HydrophobicContact CE1-CD1 3.6Å; Y16-L20 HydrophobicContact CE1-CG 4.47Å; Y16-L20 HydrophobicContact CE2-CD1 3.99Å; Y16-L20 HydrophobicContact CE2-CG 4.2Å; Y16-L20 VanDerWaalsContact CZ-CD1 3.42Å; Y16-L20 PolarHBondContact O-N 3.34Å; Y16-L20 WeakPolarHBondContact OH-CD1 3.49Å; Y16-R41 HydrophobicContact CE2-CB 4.38Å; Y16-R41 WeakPolarHBondContact OH-CD 3.42Å; Y16-F44 HydrophobicContact CD2-CB 4.35Å; Y16-F44 HydrophobicContact CD2-CD1 4.1Å; Y16-F44 AromaticContact CD2-CD2 3.7Å; Y16-F44 HydrophobicContact CD2-CD2 3.7Å; Y16-F44 HydrophobicContact CD2-CE1 4.31Å; Y16-F44 AromaticContact CD2-CE2 3.91Å; Y16-F44 HydrophobicContact CD2-CE2 3.91Å; Y16-F44 AromaticContact CD2-CG 3.79Å; Y16-F44 HydrophobicContact CD2-CG 3.79Å; Y16-F44 HydrophobicContact CD2-CZ 4.21Å; Y16-F44 HydrophobicContact CE2-CD2 4.31Å; Y16-F44 HydrophobicContact CE2-CG 4.45Å
17K98.4Very high97.5Very high144 Ų14466.8 Ų66.863%0.62631%0.305SS*.Hα-helixtrans-60.5-44.1176.4-176.4179.5178.3-177.90111.8L13 R14 L15 R21L13-K17 WeakPolarHBondContact O-CB 3.45Å; L13-K17 PolarHBondContact O-N 3.3Å; R14-K17 PolarHBondContact O-N 2.95Å; L15-K17 VanDerWaalsContact C-N 3.35Å; L15-K17 PolarHBondContact O-N 3.31Å; K17-R21 WeakPolarHBondContact O-CG 3.49Å; K17-R21 PolarHBondContact O-N 3.11Å; K17-R21 VanDerWaalsContact O-N 3.13Å
18K97.8Very high97.5Very high120 Ų12071 Ų7152%0.52232%0.324SS..Hα-helixtrans-62.4-49.7177.2-75.2178.4176.4-172.80111.1R14 L15 Y16 L20 R21 H22 F67R14-K18 WeakPolarHBondContact O-CB 3.42Å; R14-K18 WeakPolarHBondContact O-CG 3.41Å; R14-K18 PolarHBondContact O-N 3.37Å; L15-K18 WeakPolarHBondContact O-CB 3.34Å; L15-K18 PolarHBondContact O-N 3.35Å; Y16-K18 PolarHBondContact O-N 3.16Å; K18-L20 VanDerWaalsContact C-N 3.29Å; K18-L20 PolarHBondContact O-N 3.32Å; K18-R21 PolarHBondContact O-N 3.15Å; K18-R21 VanDerWaalsContact O-N 3.08Å; K18-H22 PolarHBondContact O-CD2 2.79Å; K18-H22 VanDerWaalsContact O-CD2 3.3Å; K18-H22 PolarHBondContact O-N 3.36Å; K18-F67 HydrophobicContact CB-CE2 3.89Å; K18-F67 HydrophobicContact CB-CZ 3.87Å; K18-F67 HydrophobicContact CD-CE1 4.4Å; K18-F67 HydrophobicContact CD-CZ 4.39Å
19S97.8Very high97.6Very high22 Ų2275 Ų7515%0.15434%0.341CS..Hα-helixtrans-55.3-45.1179.3-57.20000111.5L15 Y16 L23L15-S19 PolarHBondContact O-N 2.95Å; L15-S19 PolarHBondContact O-OG 3.3Å; Y16-S19 PolarHBondContact O-N 2.92Å; S19-L23 WeakPolarHBondContact O-CB 3.38Å; S19-L23 PolarHBondContact O-N 2.89Å
20L98.3Very high97.7Very high25 Ų2576.9 Ų76.913%0.13134%0.343CS..Hα-helixtrans-66.5-37177-72-173.9000114Y16 K18 L23 E24 Y33 A37 M40Y16-L20 HydrophobicContact CD1-CD1 4.31Å; Y16-L20 HydrophobicContact CE1-CD1 3.6Å; Y16-L20 HydrophobicContact CE1-CG 4.47Å; Y16-L20 HydrophobicContact CE2-CD1 3.99Å; Y16-L20 HydrophobicContact CE2-CG 4.2Å; Y16-L20 VanDerWaalsContact CZ-CD1 3.42Å; Y16-L20 PolarHBondContact O-N 3.34Å; Y16-L20 WeakPolarHBondContact OH-CD1 3.49Å; K18-L20 VanDerWaalsContact C-N 3.29Å; K18-L20 PolarHBondContact O-N 3.32Å; L20-L23 HydrophobicContact CD2-CD2 4.35Å; L20-L23 PolarHBondContact O-N 3.4Å; L20-E24 WeakPolarHBondContact O-CB 3.34Å; L20-E24 PolarHBondContact O-N 2.94Å; L20-Y33 WeakPolarHBondContact O-CE2 3.44Å; L20-A37 HydrophobicContact CD2-CB 3.85Å; L20-M40 HydrophobicContact CD2-CB 4.28Å
21R98Very high97.7Very high97 Ų9779.2 Ų79.237%0.36636%0.358SS..Hα-helixtrans-71.4-37.5178.1-70.7-61.4-173.7-169.72.4112.6K17 K18 E24 S25K17-R21 WeakPolarHBondContact O-CG 3.49Å; K17-R21 PolarHBondContact O-N 3.11Å; K17-R21 VanDerWaalsContact O-N 3.13Å; K18-R21 PolarHBondContact O-N 3.15Å; K18-R21 VanDerWaalsContact O-N 3.08Å; R21-E24 IonicContact CZ-OE2 2.68Å; R21-E24 IonicContact NH1-OE2 3.43Å; R21-E24 PolarHBondContact NH1-OE2 3.14Å; R21-E24 PolarHBondContact O-N 2.88Å; R21-S25 PolarHBondContact O-N 3.19Å; R21-S25 VanDerWaalsContact O-N 3.09Å; R21-S25 PolarHBondContact O-OG 2.98Å
22H98.1Very high97.7Very high29 Ų2980.5 Ų80.513%0.13436%0.363CS..Hα-helixtrans-71.7-35.2172.9-77-103.3000111.5K18 E24 S25 W26 F67 H72K18-H22 PolarHBondContact O-CD2 2.79Å; K18-H22 VanDerWaalsContact O-CD2 3.3Å; K18-H22 PolarHBondContact O-N 3.36Å; H22-E24 VanDerWaalsContact C-N 3.34Å; H22-E24 PolarHBondContact O-N 2.89Å; H22-S25 WeakPolarHBondContact O-CA 3.33Å; H22-S25 VanDerWaalsContact O-CB 3.31Å; H22-S25 WeakPolarHBondContact O-CB 3.45Å; H22-S25 PolarHBondContact O-N 2.8Å; H22-W26 VanDerWaalsContact O-CD1 3.3Å; H22-W26 PolarHBondContact O-N 2.82Å; H22-F67 HydrophobicContact CB-CE2 4.04Å; H22-F67 AromaticContact CD2-CE2 3.57Å; H22-F67 AromaticContact CD2-CZ 3.52Å; H22-F67 AromaticContact CG-CE2 3.74Å; H22-F67 AromaticContact CG-CZ 3.96Å; H22-F67 AromaticContact NE2-CZ 3.59Å; H22-H72 PolarHBondContact ND1-N 2.8Å
23L97.8Very high97.7Very high31 Ų3180.1 Ų80.116%0.16236%0.358CS..Hα-helixtrans-62.2-40.7171.3-17667.8000112S19 L20 S25 W26 C27 Y33 A37 M40S19-L23 WeakPolarHBondContact O-CB 3.38Å; S19-L23 PolarHBondContact O-N 2.89Å; L20-L23 HydrophobicContact CD2-CD2 4.35Å; L20-L23 PolarHBondContact O-N 3.4Å; L23-S25 PolarHBondContact O-N 2.82Å; L23-W26 PolarHBondContact O-N 3.47Å; L23-C27 WeakPolarHBondContact O-CB 3.48Å; L23-C27 PolarHBondContact O-N 3.45Å; L23-Y33 HydrophobicContact CB-CE2 4.48Å; L23-Y33 HydrophobicContact CD2-CD2 4.43Å; L23-Y33 HydrophobicContact CD2-CE2 4.37Å; L23-Y33 HydrophobicContact CG-CD2 4.24Å; L23-Y33 HydrophobicContact CG-CE2 4.4Å; L23-A37 HydrophobicContact CD2-CB 4.34Å; L23-M40 HydrophobicContact CD2-CG 4.01Å
24E97.6Very high97.7Very high34 Ų3484 Ų8416%0.15937%0.366CS..Hα-helixtrans-62.4-30.8172-171.1171.5-155.800111.8L20 R21 H22 R30 Y33L20-E24 WeakPolarHBondContact O-CB 3.34Å; L20-E24 PolarHBondContact O-N 2.94Å; R21-E24 IonicContact CZ-OE2 2.68Å; R21-E24 IonicContact NH1-OE2 3.43Å; R21-E24 PolarHBondContact NH1-OE2 3.14Å; R21-E24 PolarHBondContact O-N 2.88Å; H22-E24 VanDerWaalsContact C-N 3.34Å; H22-E24 PolarHBondContact O-N 2.89Å; E24-R30 IonicContact OE1-CZ 2.82Å; E24-R30 IonicContact OE1-NH1 3.46Å; E24-R30 PolarHBondContact OE1-NH1 3.3Å; E24-R30 IonicContact OE1-NH2 2.72Å; E24-R30 PolarHBondContact OE1-NH2 3.34Å; E24-Y33 HydrophobicContact CB-CD2 3.84Å; E24-Y33 HydrophobicContact CB-CE2 3.6Å; E24-Y33 HydrophobicContact CG-CD2 4.36Å; E24-Y33 HydrophobicContact CG-CE2 4.3Å
25S97.5Very high97.7Very high16 Ų1683.2 Ų83.211%0.11237%0.367CS..Hα-helixtrans-72.8-36.6176.1-52.20000112.4R21 H22 L23 Y76R21-S25 PolarHBondContact O-N 3.19Å; R21-S25 VanDerWaalsContact O-N 3.09Å; R21-S25 PolarHBondContact O-OG 2.98Å; H22-S25 WeakPolarHBondContact O-CA 3.33Å; H22-S25 VanDerWaalsContact O-CB 3.31Å; H22-S25 WeakPolarHBondContact O-CB 3.45Å; H22-S25 PolarHBondContact O-N 2.8Å; L23-S25 PolarHBondContact O-N 2.82Å; S25-Y76 PolarHBondContact OG-N 2.79Å
26W97.8Very high97.7Very high141 Ų14187.9 Ų87.953%0.53438%0.384SS..Hα-helixtrans-75.9-43.8173.9-75.8117.4000112.8H22 L23 I28 N70 H72H22-W26 VanDerWaalsContact O-CD1 3.3Å; H22-W26 PolarHBondContact O-N 2.82Å; L23-W26 PolarHBondContact O-N 3.47Å; W26-I28 PolarHBondContact O-N 3.48Å; W26-N70 PolarHBondContact NE1-O 3.45Å; W26-H72 HydrophobicContact CD2-CB 4.32Å; W26-H72 AromaticContact CD2-CD2 3.45Å; W26-H72 VanDerWaalsContact CD2-CD2 3.45Å; W26-H72 AromaticContact CE2-CD2 3.68Å; W26-H72 AromaticContact CE3-CD2 3.53Å; W26-H72 HydrophobicContact CG-CB 4.43Å; W26-H72 AromaticContact CG-CD2 3.96Å; W26-H72 HydrophobicContact CZ2-CB 4.25Å; W26-H72 AromaticContact CZ2-CD2 3.98Å; W26-H72 AromaticContact CZ3-CD2 3.82Å
27C96.8Very high97.7Very high21 Ų2186 Ų8614%0.14238%0.379CS..  trans-97.583.2-176.5-65.20000110.7L23 F29 Y36L23-C27 WeakPolarHBondContact O-CB 3.48Å; L23-C27 PolarHBondContact O-N 3.45Å; C27-F29 VanDerWaalsContact C-N 3.3Å; C27-F29 PolarHBondContact O-N 3.13Å; C27-Y36 VanDerWaalsContact SG-CD2 3.6Å
28I95.6Very high97.7Very high148 Ų14882.3 Ų82.376%0.75937%0.371SS*.  trans-58.6-40.7-175.6-55.5170.7000112.1W26W26-I28 PolarHBondContact O-N 3.48Å
29F97.8Very high97.7Very high135 Ų13581.1 Ų81.159%0.59237%0.368SS*.SBendtrans-80.7133.1-177.8-58-76.3000111.9C27 D31 K32 Y33C27-F29 VanDerWaalsContact C-N 3.3Å; C27-F29 PolarHBondContact O-N 3.13Å; F29-D31 VanDerWaalsContact C-N 3.34Å; F29-D31 WeakPolarHBondContact CB-OD1 3.45Å; F29-D31 PolarHBondContact O-N 3.43Å; F29-K32 PolarHBondContact O-N 2.77Å; F29-Y33 WeakPolarHBondContact O-CB 3.21Å; F29-Y33 PolarHBondContact O-N 2.93Å
30R97.4Very high97.7Very high163 Ų16381.7 Ų81.762%0.61537%0.369SS*.Hα-helixtrans-64.8-34.8-169.8-171.163.464.4176.5-3.7113.5E24 R34E24-R30 IonicContact OE1-CZ 2.82Å; E24-R30 IonicContact OE1-NH1 3.46Å; E24-R30 PolarHBondContact OE1-NH1 3.3Å; E24-R30 IonicContact OE1-NH2 2.72Å; E24-R30 PolarHBondContact OE1-NH2 3.34Å; R30-R34 VanDerWaalsContact O-CB 3.3Å; R30-R34 WeakPolarHBondContact O-CB 3.45Å; R30-R34 PolarHBondContact O-N 2.72Å
31D97.3Very high97.7Very high113 Ų11386.2 Ų86.260%0.60438%0.384SS*.Hα-helixtrans-64.5-51.8176.460.8-32.8000111.5F29 R34 F35F29-D31 VanDerWaalsContact C-N 3.34Å; F29-D31 WeakPolarHBondContact CB-OD1 3.45Å; F29-D31 PolarHBondContact O-N 3.43Å; D31-R34 PolarHBondContact O-N 2.81Å; D31-F35 PolarHBondContact O-N 2.8Å; D31-F35 VanDerWaalsContact O-N 3.14Å
32K97.2Very high97.7Very high121 Ų12183.8 Ų83.853%0.52639%0.385SS..Hα-helixtrans-62.8-46176.3-69.4-172.4178.8-178.50111.4F29 R34 F35 Y36F29-K32 PolarHBondContact O-N 2.77Å; K32-R34 VanDerWaalsContact C-N 3.29Å; K32-R34 PolarHBondContact O-N 3.42Å; K32-F35 PolarHBondContact O-N 3.3Å; K32-Y36 WeakPolarHBondContact O-CD2 3.33Å; K32-Y36 PolarHBondContact O-N 3.49Å; K32-Y36 VanDerWaalsContact O-N 3.15Å
33Y98.2Very high97.7Very high31 Ų3187.8 Ų87.812%0.12240%0.399CS..Hα-helixtrans-54.5-47174.6166.3-105.2000111.4L20 L23 E24 F29 F35 Y36 A37L20-Y33 WeakPolarHBondContact O-CE2 3.44Å; L23-Y33 HydrophobicContact CB-CE2 4.48Å; L23-Y33 HydrophobicContact CD2-CD2 4.43Å; L23-Y33 HydrophobicContact CD2-CE2 4.37Å; L23-Y33 HydrophobicContact CG-CD2 4.24Å; L23-Y33 HydrophobicContact CG-CE2 4.4Å; E24-Y33 HydrophobicContact CB-CD2 3.84Å; E24-Y33 HydrophobicContact CB-CE2 3.6Å; E24-Y33 HydrophobicContact CG-CD2 4.36Å; E24-Y33 HydrophobicContact CG-CE2 4.3Å; F29-Y33 WeakPolarHBondContact O-CB 3.21Å; F29-Y33 PolarHBondContact O-N 2.93Å; Y33-F35 VanDerWaalsContact C-N 3.32Å; Y33-F35 PolarHBondContact O-N 3.06Å; Y33-Y36 PolarHBondContact O-N 2.92Å; Y33-A37 HydrophobicContact CE1-CB 4.29Å; Y33-A37 HydrophobicContact CE2-CB 4.09Å; Y33-A37 WeakPolarHBondContact O-CB 3.38Å; Y33-A37 PolarHBondContact O-N 3.5Å
34R98.3Very high97.6Very high172 Ų17288.8 Ų88.865%0.64940%0.402SS*.Hα-helixtrans-61.8-41.8-177.4-178.156.9175.5-1280.2111.7R30 D31 K32 A37 C38R30-R34 VanDerWaalsContact O-CB 3.3Å; R30-R34 WeakPolarHBondContact O-CB 3.45Å; R30-R34 PolarHBondContact O-N 2.72Å; D31-R34 PolarHBondContact O-N 2.81Å; K32-R34 VanDerWaalsContact C-N 3.29Å; K32-R34 PolarHBondContact O-N 3.42Å; R34-A37 PolarHBondContact O-N 3.39Å; R34-C38 PolarHBondContact O-N 3.48Å; R34-C38 PolarHBondContact O-SG 2.87Å
35F98.3Very high97.6Very high124 Ų12490.3 Ų90.354%0.54441%0.411SS..Hα-helixtrans-57.9-55.4175.7175.9-101.2000111.4D31 K32 Y33 A37 C38 M39D31-F35 PolarHBondContact O-N 2.8Å; D31-F35 VanDerWaalsContact O-N 3.14Å; K32-F35 PolarHBondContact O-N 3.3Å; Y33-F35 VanDerWaalsContact C-N 3.32Å; Y33-F35 PolarHBondContact O-N 3.06Å; F35-A37 VanDerWaalsContact C-N 3.33Å; F35-A37 PolarHBondContact O-N 3.46Å; F35-C38 WeakPolarHBondContact O-CB 3.49Å; F35-C38 PolarHBondContact O-N 2.86Å; F35-M39 HydrophobicContact CD1-SD 3.96Å; F35-M39 HydrophobicContact CE1-CG 4.3Å; F35-M39 HydrophobicContact CE1-SD 3.26Å; F35-M39 WeakPolarHBondContact CE1-SD 3.37Å; F35-M39 HydrophobicContact CE2-SD 4.44Å; F35-M39 HydrophobicContact CZ-CG 4.32Å; F35-M39 HydrophobicContact CZ-SD 3.56Å; F35-M39 VanDerWaalsContact CZ-SD 3.56Å; F35-M39 PolarHBondContact O-N 3.36Å
36Y98.1Very high97.6Very high108 Ų10897.3 Ų97.342%0.42444%0.442SS..Hα-helixtrans-67.2-32.5-179.5-68.2-65000113.1C27 K32 Y33 C38 M39 M40C27-Y36 VanDerWaalsContact SG-CD2 3.6Å; K32-Y36 WeakPolarHBondContact O-CD2 3.33Å; K32-Y36 PolarHBondContact O-N 3.49Å; K32-Y36 VanDerWaalsContact O-N 3.15Å; Y33-Y36 PolarHBondContact O-N 2.92Å; Y36-C38 VanDerWaalsContact C-N 3.33Å; Y36-C38 PolarHBondContact O-N 2.88Å; Y36-M39 HydrophobicContact CD1-SD 4.05Å; Y36-M39 HydrophobicContact CE1-SD 4.43Å; Y36-M39 PolarHBondContact O-N 3.34Å; Y36-M40 WeakPolarHBondContact O-CB 3.42Å; Y36-M40 WeakPolarHBondContact O-CG 3.31Å; Y36-M40 PolarHBondContact O-N 3.36Å
37A98.1Very high97.3Very high10 Ų1092.7 Ų92.78%0.08343%0.434CS..Hα-helixtrans-64.3-39.2175.400000111.5L20 L23 Y33 R34 F35 M40 R41L20-A37 HydrophobicContact CD2-CB 3.85Å; L23-A37 HydrophobicContact CD2-CB 4.34Å; Y33-A37 HydrophobicContact CE1-CB 4.29Å; Y33-A37 HydrophobicContact CE2-CB 4.09Å; Y33-A37 WeakPolarHBondContact O-CB 3.38Å; Y33-A37 PolarHBondContact O-N 3.5Å; R34-A37 PolarHBondContact O-N 3.39Å; F35-A37 VanDerWaalsContact C-N 3.33Å; F35-A37 PolarHBondContact O-N 3.46Å; A37-M40 PolarHBondContact O-N 3.43Å; A37-R41 WeakPolarHBondContact O-CB 3.38Å; A37-R41 PolarHBondContact O-N 3.37Å
38C98.3Very high97.1Very high67 Ų6798.9 Ų98.945%0.45346%0.459SS..Hα-helixtrans-65.7-42.6173.1-75.70000111.8R34 F35 Y36 M40 R41 A42R34-C38 PolarHBondContact O-N 3.48Å; R34-C38 PolarHBondContact O-SG 2.87Å; F35-C38 WeakPolarHBondContact O-CB 3.49Å; F35-C38 PolarHBondContact O-N 2.86Å; Y36-C38 VanDerWaalsContact C-N 3.33Å; Y36-C38 PolarHBondContact O-N 2.88Å; C38-M40 VanDerWaalsContact C-N 3.32Å; C38-M40 PolarHBondContact O-N 2.87Å; C38-R41 PolarHBondContact O-N 3.48Å; C38-A42 PolarHBondContact O-N 3.39Å
39M98Very high97.1Very high95 Ų9598.3 Ų98.347%0.46846%0.457SS..Hα-helixtrans-60.5-43.3173.3-67-177.771.900111.7F35 Y36 R41 A42 R43F35-M39 HydrophobicContact CD1-SD 3.96Å; F35-M39 HydrophobicContact CE1-CG 4.3Å; F35-M39 HydrophobicContact CE1-SD 3.26Å; F35-M39 WeakPolarHBondContact CE1-SD 3.37Å; F35-M39 HydrophobicContact CE2-SD 4.44Å; F35-M39 HydrophobicContact CZ-CG 4.32Å; F35-M39 HydrophobicContact CZ-SD 3.56Å; F35-M39 VanDerWaalsContact CZ-SD 3.56Å; F35-M39 PolarHBondContact O-N 3.36Å; Y36-M39 HydrophobicContact CD1-SD 4.05Å; Y36-M39 HydrophobicContact CE1-SD 4.43Å; Y36-M39 PolarHBondContact O-N 3.34Å; M39-R41 VanDerWaalsContact C-N 3.33Å; M39-R41 PolarHBondContact O-N 3.37Å; M39-A42 PolarHBondContact O-N 3.06Å; M39-R43 PolarHBondContact O-N 3.5Å; M39-R43 VanDerWaalsContact O-N 3.08Å
40M97.6Very high96.9Very high35 Ų3594.6 Ų94.617%0.17244%0.442CS..Hα-helixtrans-63.8-41.4176.9-75.8-48-38.200111.7L20 L23 Y36 A37 C38 A42 R43 F44L20-M40 HydrophobicContact CD2-CB 4.28Å; L23-M40 HydrophobicContact CD2-CG 4.01Å; Y36-M40 WeakPolarHBondContact O-CB 3.42Å; Y36-M40 WeakPolarHBondContact O-CG 3.31Å; Y36-M40 PolarHBondContact O-N 3.36Å; A37-M40 PolarHBondContact O-N 3.43Å; C38-M40 VanDerWaalsContact C-N 3.32Å; C38-M40 PolarHBondContact O-N 2.87Å; M40-A42 VanDerWaalsContact C-N 3.34Å; M40-A42 PolarHBondContact O-N 3.09Å; M40-R43 HydrophobicContact CE-CB 4.26Å; M40-R43 PolarHBondContact O-N 2.93Å; M40-F44 HydrophobicContact CE-CD2 4.25Å; M40-F44 HydrophobicContact CE-CE2 3.99Å; M40-F44 WeakPolarHBondContact O-CD2 3.46Å; M40-F44 PolarHBondContact O-N 2.88Å
41R98.3Very high96.8Very high119 Ų11996 Ų9645%0.44945%0.453SS..Hα-helixtrans-60.8-43.7175.2179.452.4-178.4-93.5-0.1111.8Y16 A37 C38 M39 R43 F44 D45Y16-R41 HydrophobicContact CE2-CB 4.38Å; Y16-R41 WeakPolarHBondContact OH-CD 3.42Å; A37-R41 WeakPolarHBondContact O-CB 3.38Å; A37-R41 PolarHBondContact O-N 3.37Å; C38-R41 PolarHBondContact O-N 3.48Å; M39-R41 VanDerWaalsContact C-N 3.33Å; M39-R41 PolarHBondContact O-N 3.37Å; R41-R43 VanDerWaalsContact C-N 3.34Å; R41-R43 PolarHBondContact O-N 3.13Å; R41-F44 PolarHBondContact O-N 3.3Å; R41-F44 VanDerWaalsContact O-N 3.14Å; R41-D45 WeakPolarHBondContact CD-OD2 3.46Å; R41-D45 WeakPolarHBondContact CG-OD2 3.37Å; R41-D45 IonicContact CZ-OD1 3.5Å; R41-D45 IonicContact CZ-OD2 4Å; R41-D45 VanDerWaalsContact NE-CG 3.26Å; R41-D45 IonicContact NE-OD1 3.64Å; R41-D45 PolarHBondContact NE-OD1 3.29Å; R41-D45 IonicContact NE-OD2 3.87Å; R41-D45 PolarHBondContact NE-OD2 2.87Å; R41-D45 IonicContact NH2-OD1 3.2Å; R41-D45 IonicContact NH2-OD2 2.94Å; R41-D45 PolarHBondContact O-N 2.99Å
42A98.2Very high96.8Very high46 Ų4694.5 Ų94.538%0.3844%0.444SS..Hα-helixtrans-57.1-45.6176.100000111.9C38 M39 M40 F44 D45 E46C38-A42 PolarHBondContact O-N 3.39Å; M39-A42 PolarHBondContact O-N 3.06Å; M40-A42 VanDerWaalsContact C-N 3.34Å; M40-A42 PolarHBondContact O-N 3.09Å; A42-F44 VanDerWaalsContact C-N 3.31Å; A42-F44 PolarHBondContact O-N 2.94Å; A42-D45 PolarHBondContact O-N 3.3Å; A42-D45 VanDerWaalsContact O-N 3.11Å; A42-E46 WeakPolarHBondContact O-CG 3.45Å; A42-E46 PolarHBondContact O-N 3.22Å
43R97Very high96.7Very high113 Ų11393.7 Ų93.743%0.42644%0.444SS..Hα-helixtrans-57.1-40.4175.5-70.2177.463.5-168.40113.1M39 M40 R41 E66M39-R43 PolarHBondContact O-N 3.5Å; M39-R43 VanDerWaalsContact O-N 3.08Å; M40-R43 HydrophobicContact CE-CB 4.26Å; M40-R43 PolarHBondContact O-N 2.93Å; R41-R43 VanDerWaalsContact C-N 3.34Å; R41-R43 PolarHBondContact O-N 3.13Å; R43-E66 IonicContact CZ-OE1 2.88Å; R43-E66 IonicContact CZ-OE2 2.94Å; R43-E66 IonicContact NH1-OE1 2.8Å; R43-E66 PolarHBondContact NH1-OE1 3.3Å; R43-E66 VanDerWaalsContact NH2-CD 3.31Å; R43-E66 IonicContact NH2-OE1 3.38Å; R43-E66 PolarHBondContact NH2-OE1 3.08Å; R43-E66 IonicContact NH2-OE2 3.86Å; R43-E66 PolarHBondContact NH2-OE2 2.82Å
44F97.4Very high96.6Very high52 Ų5297 Ų9723%0.22847%0.467CS..Hα-helixtrans-73.1-36.1176.8-86.1-97.9000112.2V12 L15 Y16 M40 R41 A42 A47 K48V12-F44 HydrophobicContact CG1-CD1 4.17Å; V12-F44 HydrophobicContact CG1-CE1 4.16Å; L15-F44 HydrophobicContact CD2-CZ 4.42Å; L15-F44 HydrophobicContact CG-CZ 4.32Å; Y16-F44 HydrophobicContact CD2-CB 4.35Å; Y16-F44 HydrophobicContact CD2-CD1 4.1Å; Y16-F44 AromaticContact CD2-CD2 3.7Å; Y16-F44 HydrophobicContact CD2-CD2 3.7Å; Y16-F44 HydrophobicContact CD2-CE1 4.31Å; Y16-F44 AromaticContact CD2-CE2 3.91Å; Y16-F44 HydrophobicContact CD2-CE2 3.91Å; Y16-F44 AromaticContact CD2-CG 3.79Å; Y16-F44 HydrophobicContact CD2-CG 3.79Å; Y16-F44 HydrophobicContact CD2-CZ 4.21Å; Y16-F44 HydrophobicContact CE2-CD2 4.31Å; Y16-F44 HydrophobicContact CE2-CG 4.45Å; M40-F44 HydrophobicContact CE-CD2 4.25Å; M40-F44 HydrophobicContact CE-CE2 3.99Å; M40-F44 WeakPolarHBondContact O-CD2 3.46Å; M40-F44 PolarHBondContact O-N 2.88Å; R41-F44 PolarHBondContact O-N 3.3Å; R41-F44 VanDerWaalsContact O-N 3.14Å; A42-F44 VanDerWaalsContact C-N 3.31Å; A42-F44 PolarHBondContact O-N 2.94Å; F44-A47 PolarHBondContact O-N 3.4Å; F44-K48 PolarHBondContact O-N 2.91Å
45D97.6Very high96.6Very high67 Ų6793.7 Ų93.736%0.35846%0.457SS..Hα-helixtrans-69.7-32.2179.2-72.9-28.8000111.8R41 A42 A47 K48R41-D45 WeakPolarHBondContact CD-OD2 3.46Å; R41-D45 WeakPolarHBondContact CG-OD2 3.37Å; R41-D45 IonicContact CZ-OD1 3.5Å; R41-D45 IonicContact CZ-OD2 4Å; R41-D45 VanDerWaalsContact NE-CG 3.26Å; R41-D45 IonicContact NE-OD1 3.64Å; R41-D45 PolarHBondContact NE-OD1 3.29Å; R41-D45 IonicContact NE-OD2 3.87Å; R41-D45 PolarHBondContact NE-OD2 2.87Å; R41-D45 IonicContact NH2-OD1 3.2Å; R41-D45 IonicContact NH2-OD2 2.94Å; R41-D45 PolarHBondContact O-N 2.99Å; A42-D45 PolarHBondContact O-N 3.3Å; A42-D45 VanDerWaalsContact O-N 3.11Å; D45-A47 VanDerWaalsContact C-N 3.26Å; D45-A47 PolarHBondContact O-N 2.83Å; D45-K48 WeakPolarHBondContact O-CB 3.44Å; D45-K48 PolarHBondContact O-N 3.2Å; D45-K48 VanDerWaalsContact O-N 3.16Å
46E96.1Very high96.5Very high162 Ų16288.3 Ų88.376%0.75744%0.436SS*.Hα-helixtrans-57.7-35.3174.7-77170.3-167.100113.3A42A42-E46 WeakPolarHBondContact O-CG 3.45Å; A42-E46 PolarHBondContact O-N 3.22Å
47A92.3Very high96.4Very high45 Ų4586.7 Ų86.737%0.37244%0.437SS..THydrogen-bonded Turntrans-97.26.9-179.400000113.6F44 D45 D49 E50 M59F44-A47 PolarHBondContact O-N 3.4Å; D45-A47 VanDerWaalsContact C-N 3.26Å; D45-A47 PolarHBondContact O-N 2.83Å; A47-D49 PolarHBondContact O-N 3.43Å; A47-E50 WeakPolarHBondContact O-CB 3.46Å; A47-E50 PolarHBondContact O-N 3.45Å; A47-M59 HydrophobicContact CB-SD 3.96Å
48K92.7Very high96.4Very high150 Ų15092.6 Ų92.665%0.65247%0.465SS*.THydrogen-bonded Turntrans-65.8-37.5-172-178.9-172.5169.2-160.60113.6F44 D45 E50F44-K48 PolarHBondContact O-N 2.91Å; D45-K48 WeakPolarHBondContact O-CB 3.44Å; D45-K48 PolarHBondContact O-N 3.2Å; D45-K48 VanDerWaalsContact O-N 3.16Å; K48-E50 VanDerWaalsContact C-N 3.32Å
49D94.6Very high96.3Very high136 Ų13692.9 Ų92.973%0.72746%0.46SS*.THydrogen-bonded Turntrans-93.615.5-174.4-62.6-38.9000113.1A47 K51A47-D49 PolarHBondContact O-N 3.43Å; D49-K51 PolarHBondContact O-N 3.35Å
50E94.4Very high96.3Very high58 Ų5889.2 Ų89.227%0.27144%0.442SS..  trans-65124.1175-176.757.5-101.800110.8A47 K48 D52 K55 A56 M59A47-E50 WeakPolarHBondContact O-CB 3.46Å; A47-E50 PolarHBondContact O-N 3.45Å; K48-E50 VanDerWaalsContact C-N 3.32Å; E50-D52 PolarHBondContact OE1-N 2.99Å; E50-D52 VanDerWaalsContact OE1-N 3.13Å; E50-K55 WeakPolarHBondContact OE2-CD 3.34Å; E50-K55 WeakPolarHBondContact OE2-CE 3.29Å; E50-K55 IonicContact OE2-NZ 2.98Å; E50-K55 PolarHBondContact OE2-NZ 2.94Å; E50-A56 HydrophobicContact CG-CB 4.32Å; E50-M59 HydrophobicContact CG-CE 3.99Å; E50-M59 WeakPolarHBondContact OE2-CE 3.32Å
51K95.1Very high96.3Very high193 Ų19393.7 Ų93.784%0.83946%0.461SS*.  trans-98.1-23.2-176.6-65-177.4-178.3176.60112.6D49 M53D49-K51 PolarHBondContact O-N 3.35Å; K51-M53 PolarHBondContact O-N 3.07Å
52D96.8Very high96.3Very high80 Ų8090.6 Ų90.643%0.42846%0.461SS..  trans-78.4108.9177-178.7-5.8000110.4E50 V54 K55 A56E50-D52 PolarHBondContact OE1-N 2.99Å; E50-D52 VanDerWaalsContact OE1-N 3.13Å; D52-V54 VanDerWaalsContact C-N 3.3Å; D52-V54 PolarHBondContact O-N 3.32Å; D52-V54 WeakPolarHBondContact OD1-CB 3.5Å; D52-V54 PolarHBondContact OD1-N 2.95Å; D52-K55 HydrophobicContact CB-CB 3.89Å; D52-K55 PolarHBondContact O-N 3.41Å; D52-K55 PolarHBondContact OD1-N 2.87Å; D52-A56 WeakPolarHBondContact O-CB 3.48Å; D52-A56 PolarHBondContact O-N 3.42Å
53M95.6Very high96.2Very high105 Ų10589.3 Ų89.352%0.51745%0.452SS..Hα-helixtrans-67.2-27.3-179.3-68.3-56.2-53.600113.8H8 K51 T57H8-M53 HydrophobicContact CB-CE 3.91Å; K51-M53 PolarHBondContact O-N 3.07Å; M53-T57 WeakPolarHBondContact O-CB 3.25Å; M53-T57 PolarHBondContact O-N 2.98Å; M53-T57 PolarHBondContact O-OG1 3.39Å
54V96.9Very high96.3Very high100 Ų10088.5 Ų88.561%0.60645%0.453SS*.Hα-helixtrans-69.4-49.3175.9179.30000108.6D52 A56 T57 M58D52-V54 VanDerWaalsContact C-N 3.3Å; D52-V54 PolarHBondContact O-N 3.32Å; D52-V54 WeakPolarHBondContact OD1-CB 3.5Å; D52-V54 PolarHBondContact OD1-N 2.95Å; V54-A56 PolarHBondContact O-N 3.46Å; V54-T57 PolarHBondContact O-N 3Å; V54-M58 WeakPolarHBondContact O-CG 3.44Å; V54-M58 PolarHBondContact O-N 3.19Å
55K96.6Very high96.3Very high102 Ų10291.2 Ų91.244%0.44347%0.467SS..Hα-helixtrans-61.2-44.6176.7-163.7-176.6168.7-153.50111.7E50 D52 T57 M58 M59E50-K55 WeakPolarHBondContact OE2-CD 3.34Å; E50-K55 WeakPolarHBondContact OE2-CE 3.29Å; E50-K55 IonicContact OE2-NZ 2.98Å; E50-K55 PolarHBondContact OE2-NZ 2.94Å; D52-K55 HydrophobicContact CB-CB 3.89Å; D52-K55 PolarHBondContact O-N 3.41Å; D52-K55 PolarHBondContact OD1-N 2.87Å; K55-T57 VanDerWaalsContact C-N 3.3Å; K55-T57 PolarHBondContact O-N 3.02Å; K55-M58 PolarHBondContact O-N 3.26Å; K55-M58 VanDerWaalsContact O-N 3.16Å; K55-M59 HydrophobicContact CD-CE 3.86Å; K55-M59 VanDerWaalsContact CE-CE 3.46Å; K55-M59 HydrophobicContact CG-CE 3.71Å; K55-M59 WeakPolarHBondContact O-CG 3.46Å; K55-M59 PolarHBondContact O-N 2.9Å
56A96.4Very high96.3Very high12 Ų1292 Ų9210%0.09947%0.468CS..Hα-helixtrans-59.6-40176.200000112.2H8 E50 D52 V54 M59 L60H8-A56 PolarHBondContact NE2-O 2.91Å; E50-A56 HydrophobicContact CG-CB 4.32Å; D52-A56 WeakPolarHBondContact O-CB 3.48Å; D52-A56 PolarHBondContact O-N 3.42Å; V54-A56 PolarHBondContact O-N 3.46Å; A56-M59 PolarHBondContact O-N 3.21Å; A56-L60 WeakPolarHBondContact O-CB 3.45Å; A56-L60 PolarHBondContact O-N 3.39Å
57T97Very high96.4Very high74 Ų7485.6 Ų85.645%0.45444%0.438SS..Hα-helixtrans-68-38.6176.4-56.60000111.8M53 V54 K55 L60 K61M53-T57 WeakPolarHBondContact O-CB 3.25Å; M53-T57 PolarHBondContact O-N 2.98Å; M53-T57 PolarHBondContact O-OG1 3.39Å; V54-T57 PolarHBondContact O-N 3Å; K55-T57 VanDerWaalsContact C-N 3.3Å; K55-T57 PolarHBondContact O-N 3.02Å; T57-L60 PolarHBondContact O-N 3.37Å; T57-K61 PolarHBondContact O-N 3.19Å
58M97.3Very high96.7Very high134 Ų13492.1 Ų92.166%0.6645%0.453SS*.Hα-helixtrans-64.8-41.7173.6-70.9-175.669.500112V54 K55 L60 K61 A62V54-M58 WeakPolarHBondContact O-CG 3.44Å; V54-M58 PolarHBondContact O-N 3.19Å; K55-M58 PolarHBondContact O-N 3.26Å; K55-M58 VanDerWaalsContact O-N 3.16Å; M58-L60 VanDerWaalsContact C-N 3.34Å; M58-K61 PolarHBondContact O-N 3.39Å; M58-A62 PolarHBondContact O-N 2.96Å
59M96.7Very high97Very high73 Ų7389.7 Ų89.736%0.3646%0.455SS..Hα-helixtrans-61.7-42.4173.9-67.9-173.9-15300111.6A47 E50 K55 A56 K61 A62 G63A47-M59 HydrophobicContact CB-SD 3.96Å; E50-M59 HydrophobicContact CG-CE 3.99Å; E50-M59 WeakPolarHBondContact OE2-CE 3.32Å; K55-M59 HydrophobicContact CD-CE 3.86Å; K55-M59 VanDerWaalsContact CE-CE 3.46Å; K55-M59 HydrophobicContact CG-CE 3.71Å; K55-M59 WeakPolarHBondContact O-CG 3.46Å; K55-M59 PolarHBondContact O-N 2.9Å; A56-M59 PolarHBondContact O-N 3.21Å; M59-K61 PolarHBondContact O-N 3.44Å; M59-A62 PolarHBondContact O-N 2.97Å; M59-G63 PolarHBondContact O-N 3Å
60L97.3Very high97.1Very high17 Ų1788.1 Ų88.19%0.08945%0.446CS..Hα-helixtrans-60.4-45.7176.2177.163.9000111.1K11 V12 L15 A56 T57 M58 G63 E64K11-L60 HydrophobicContact CB-CD2 3.72Å; K11-L60 HydrophobicContact CD-CD2 4.11Å; V12-L60 HydrophobicContact CG2-CD1 4.04Å; V12-L60 HydrophobicContact CG2-CD2 4.5Å; L15-L60 HydrophobicContact CB-CD1 4.37Å; L15-L60 HydrophobicContact CD2-CD1 3.75Å; A56-L60 WeakPolarHBondContact O-CB 3.45Å; A56-L60 PolarHBondContact O-N 3.39Å; T57-L60 PolarHBondContact O-N 3.37Å; M58-L60 VanDerWaalsContact C-N 3.34Å; L60-G63 PolarHBondContact O-N 2.87Å; L60-E64 HydrophobicContact CD1-CG 4.43Å; L60-E64 WeakPolarHBondContact O-CG 3.48Å; L60-E64 PolarHBondContact O-N 3.24Å
61K98Very high97.2Very high130 Ų13088.1 Ų88.157%0.56545%0.446SS*.Hα-helixtrans-59.4-48.5176.5-178.2-179172.7-174.90111.5T57 M58 M59 G63 E64 E65T57-K61 PolarHBondContact O-N 3.19Å; M58-K61 PolarHBondContact O-N 3.39Å; M59-K61 PolarHBondContact O-N 3.44Å; K61-G63 VanDerWaalsContact C-N 3.29Å; K61-G63 PolarHBondContact O-N 3.06Å; K61-E64 PolarHBondContact O-N 3.37Å; K61-E65 WeakPolarHBondContact CE-OE1 3.45Å; K61-E65 WeakPolarHBondContact O-CG 3.49Å; K61-E65 PolarHBondContact O-N 3.43Å
62A97.8Very high97.3Very high54 Ų5481 Ų8145%0.44642%0.416SS..Hα-helixtrans-60.7-39.217700000111.9M58 M59 E65 E66M58-A62 PolarHBondContact O-N 2.96Å; M59-A62 PolarHBondContact O-N 2.97Å; A62-E65 PolarHBondContact O-N 3Å; A62-E66 WeakPolarHBondContact O-CB 3.37Å; A62-E66 PolarHBondContact O-N 3.09Å
63G97.3Very high97.4Very high19 Ų1982.8 Ų82.820%0.19643%0.432CS..Hα-helixtrans-67.6-34.5175.300000113.7M59 L60 K61 F67M59-G63 PolarHBondContact O-N 3Å; L60-G63 PolarHBondContact O-N 2.87Å; K61-G63 VanDerWaalsContact C-N 3.29Å; K61-G63 PolarHBondContact O-N 3.06Å; G63-F67 VanDerWaalsContact O-CB 3.29Å; G63-F67 WeakPolarHBondContact O-CB 3.46Å; G63-F67 PolarHBondContact O-N 3.24Å
64E98.1Very high97.4Very high95 Ų9585.6 Ų85.644%0.44444%0.444SS..Hα-helixtrans-68.4-39.3173-74.4-176.3162.300111.8L15 L60 K61 F67 W68L15-E64 HydrophobicContact CD1-CG 4.16Å; L15-E64 HydrophobicContact CD2-CG 4.14Å; L60-E64 HydrophobicContact CD1-CG 4.43Å; L60-E64 WeakPolarHBondContact O-CG 3.48Å; L60-E64 PolarHBondContact O-N 3.24Å; K61-E64 PolarHBondContact O-N 3.37Å; E64-F67 PolarHBondContact O-N 3.37Å; E64-W68 WeakPolarHBondContact O-CB 3.43Å; E64-W68 PolarHBondContact O-N 2.95Å
65E98.3Very high97.5Very high110 Ų11082.8 Ų82.851%0.51443%0.428SS..Hα-helixtrans-64.8-46.9173.8-70.9172.3-173.700111.4K61 A62 F67 W68 S69K61-E65 WeakPolarHBondContact CE-OE1 3.45Å; K61-E65 WeakPolarHBondContact O-CG 3.49Å; K61-E65 PolarHBondContact O-N 3.43Å; A62-E65 PolarHBondContact O-N 3Å; E65-F67 VanDerWaalsContact C-N 3.33Å; E65-F67 PolarHBondContact O-N 3.31Å; E65-W68 PolarHBondContact O-N 3.3Å; E65-S69 PolarHBondContact O-N 3.16Å; E65-S69 PolarHBondContact O-OG 2.73Å
66E98Very high97.5Very high82 Ų8284 Ų8438%0.38343%0.43SS..Hα-helixtrans-59.1-44.1174.7-176-173.116000111.3R43 A62 N70R43-E66 IonicContact CZ-OE1 2.88Å; R43-E66 IonicContact CZ-OE2 2.94Å; R43-E66 IonicContact NH1-OE1 2.8Å; R43-E66 PolarHBondContact NH1-OE1 3.3Å; R43-E66 VanDerWaalsContact NH2-CD 3.31Å; R43-E66 IonicContact NH2-OE1 3.38Å; R43-E66 PolarHBondContact NH2-OE1 3.08Å; R43-E66 IonicContact NH2-OE2 3.86Å; R43-E66 PolarHBondContact NH2-OE2 2.82Å; A62-E66 WeakPolarHBondContact O-CB 3.37Å; A62-E66 PolarHBondContact O-N 3.09Å; E66-N70 WeakPolarHBondContact O-CB 3.37Å; E66-N70 PolarHBondContact O-N 3.03Å; E66-N70 PolarHBondContact O-ND2 2.93Å
67F98.1Very high97.6Very high29 Ų2987.4 Ų87.413%0.12745%0.446CS..Hα-helixtrans-61.5-45.7176.1170-96.1000111.4L15 K18 H22 G63 E64 E65 S69 N70 Q71L15-F67 HydrophobicContact CD1-CB 3.81Å; L15-F67 HydrophobicContact CD1-CD1 4.45Å; L15-F67 HydrophobicContact CD1-CG 4.01Å; K18-F67 HydrophobicContact CB-CE2 3.89Å; K18-F67 HydrophobicContact CB-CZ 3.87Å; K18-F67 HydrophobicContact CD-CE1 4.4Å; K18-F67 HydrophobicContact CD-CZ 4.39Å; H22-F67 HydrophobicContact CB-CE2 4.04Å; H22-F67 AromaticContact CD2-CE2 3.57Å; H22-F67 AromaticContact CD2-CZ 3.52Å; H22-F67 AromaticContact CG-CE2 3.74Å; H22-F67 AromaticContact CG-CZ 3.96Å; H22-F67 AromaticContact NE2-CZ 3.59Å; G63-F67 VanDerWaalsContact O-CB 3.29Å; G63-F67 WeakPolarHBondContact O-CB 3.46Å; G63-F67 PolarHBondContact O-N 3.24Å; E64-F67 PolarHBondContact O-N 3.37Å; E65-F67 VanDerWaalsContact C-N 3.33Å; E65-F67 PolarHBondContact O-N 3.31Å; F67-S69 VanDerWaalsContact C-N 3.35Å; F67-S69 PolarHBondContact O-N 2.98Å; F67-N70 CarbonylContact O-C 3.29Å; F67-N70 PolarHBondContact O-N 3.21Å; F67-Q71 HydrophobicContact CE1-CB 4.41Å; F67-Q71 HydrophobicContact CE2-CB 4.5Å; F67-Q71 HydrophobicContact CZ-CB 4.2Å; F67-Q71 WeakPolarHBondContact O-CB 3.02Å; F67-Q71 PolarHBondContact O-N 3.21Å
68W98.1Very high97.6Very high181 Ų18188.2 Ų88.269%0.68644%0.444SS*.Hα-helixtrans-60.8-42.5-178.7-177.4-100.4000112.5E64 E65 N70 Q71E64-W68 WeakPolarHBondContact O-CB 3.43Å; E64-W68 PolarHBondContact O-N 2.95Å; E65-W68 PolarHBondContact O-N 3.3Å; W68-N70 VanDerWaalsContact C-N 3.31Å; W68-N70 PolarHBondContact O-N 2.82Å; W68-Q71 VanDerWaalsContact CZ3-NE2 3.33Å; W68-Q71 WeakPolarHBondContact O-CG 3.07Å; W68-Q71 PolarHBondContact O-NE2 3.18Å
69S97.9Very high97.6Very high99 Ų9984.5 Ų84.569%0.69243%0.43SS*.Hα-helixtrans-67.7-28.9177.7-650000113.6E65 F67E65-S69 PolarHBondContact O-N 3.16Å; E65-S69 PolarHBondContact O-OG 2.73Å; F67-S69 VanDerWaalsContact C-N 3.35Å; F67-S69 PolarHBondContact O-N 2.98Å
70N96.8Very high97.6Very high103 Ų10385 Ų8555%0.55143%0.434SS*.Hα-helixtrans-109.85.3-172.9-65-63.9000114.2W26 E66 F67 W68 H72W26-N70 PolarHBondContact NE1-O 3.45Å; E66-N70 WeakPolarHBondContact O-CB 3.37Å; E66-N70 PolarHBondContact O-N 3.03Å; E66-N70 PolarHBondContact O-ND2 2.93Å; F67-N70 CarbonylContact O-C 3.29Å; F67-N70 PolarHBondContact O-N 3.21Å; W68-N70 VanDerWaalsContact C-N 3.31Å; W68-N70 PolarHBondContact O-N 2.82Å; N70-H72 PolarHBondContact O-N 3.1Å
71Q97.3Very high97.6Very high59 Ų5985.7 Ų85.728%0.27644%0.44SS..  trans-65.1137.8-178.469.6-172.5-30.500111.3F67 W68F67-Q71 HydrophobicContact CE1-CB 4.41Å; F67-Q71 HydrophobicContact CE2-CB 4.5Å; F67-Q71 HydrophobicContact CZ-CB 4.2Å; F67-Q71 WeakPolarHBondContact O-CB 3.02Å; F67-Q71 PolarHBondContact O-N 3.21Å; W68-Q71 VanDerWaalsContact CZ3-NE2 3.33Å; W68-Q71 WeakPolarHBondContact O-CG 3.07Å; W68-Q71 PolarHBondContact O-NE2 3.18Å
72H97.8Very high97.6Very high44 Ų4484 Ų8420%0.20444%0.443CS..  trans-60.7131.7173-167.3-84.8000110.8H22 W26 N70 Q74H22-H72 PolarHBondContact ND1-N 2.8Å; W26-H72 HydrophobicContact CD2-CB 4.32Å; W26-H72 AromaticContact CD2-CD2 3.45Å; W26-H72 VanDerWaalsContact CD2-CD2 3.45Å; W26-H72 AromaticContact CE2-CD2 3.68Å; W26-H72 AromaticContact CE3-CD2 3.53Å; W26-H72 HydrophobicContact CG-CB 4.43Å; W26-H72 AromaticContact CG-CD2 3.96Å; W26-H72 HydrophobicContact CZ2-CB 4.25Å; W26-H72 AromaticContact CZ2-CD2 3.98Å; W26-H72 AromaticContact CZ3-CD2 3.82Å; N70-H72 PolarHBondContact O-N 3.1Å; H72-Q74 VanDerWaalsContact C-N 3.28Å; H72-Q74 PolarHBondContact CE1-O 3.05Å; H72-Q74 PolarHBondContact ND1-N 3.18Å; H72-Q74 PolarHBondContact ND1-O 3.33Å; H72-Q74 PolarHBondContact O-N 3.29Å
73P97.8Very high97.5Very high116 Ų11684.5 Ų84.575%0.75345%0.452SS*.SBendtrans-60-34.5-177.9-26.434.5000114.3
74Q97.1Very high97.5Very high164 Ų16484.2 Ų84.277%0.76645%0.449SS*.SBendtrans-12778.8177.9-172.4-179.712.100109.6H72H72-Q74 VanDerWaalsContact C-N 3.28Å; H72-Q74 PolarHBondContact CE1-O 3.05Å; H72-Q74 PolarHBondContact ND1-N 3.18Å; H72-Q74 PolarHBondContact ND1-O 3.33Å; H72-Q74 PolarHBondContact O-N 3.29Å
75P97.4Very high97.5Very high42 Ų4285.4 Ų85.427%0.27346%0.463SS..  trans-62.9153.2-175.926.8-33.9000111.2L77P75-L77 PolarHBondContact O-N 2.9Å
76Y97.5Very high97.5Very high127 Ų12781 Ų8150%0.49845%0.445SS..  trans-65.5118.8171.5175.8-96.4000110S25 F78S25-Y76 PolarHBondContact OG-N 2.79Å; Y76-F78 AromaticContact CE1-CD1 3.79Å; Y76-F78 HydrophobicContact CE1-CD1 3.79Å; Y76-F78 HydrophobicContact CE1-CD2 4.35Å; Y76-F78 AromaticContact CE1-CE1 3.71Å; Y76-F78 HydrophobicContact CE1-CE1 3.71Å; Y76-F78 HydrophobicContact CE1-CE2 4.28Å; Y76-F78 HydrophobicContact CE1-CG 4.11Å; Y76-F78 AromaticContact CE1-CZ 3.96Å; Y76-F78 HydrophobicContact CE1-CZ 3.96Å
77L97.4Very high97.4Very high83 Ų8381.8 Ų81.844%0.43545%0.445SS..  trans-109137.3173.1-61.3178000108.9P75 G83P75-L77 PolarHBondContact O-N 2.9Å; L77-G83 WeakPolarHBondContact CD1-O 3.41Å
78F97.8Very high97.4Very high92 Ų9285.7 Ų85.740%0.40446%0.464SS..  trans-67.6144.4174.8-68.2-84.5000109.4Y76 D80 S81 G84Y76-F78 AromaticContact CE1-CD1 3.79Å; Y76-F78 HydrophobicContact CE1-CD1 3.79Å; Y76-F78 HydrophobicContact CE1-CD2 4.35Å; Y76-F78 AromaticContact CE1-CE1 3.71Å; Y76-F78 HydrophobicContact CE1-CE1 3.71Å; Y76-F78 HydrophobicContact CE1-CE2 4.28Å; Y76-F78 HydrophobicContact CE1-CG 4.11Å; Y76-F78 AromaticContact CE1-CZ 3.96Å; Y76-F78 HydrophobicContact CE1-CZ 3.96Å; F78-D80 VanDerWaalsContact C-N 3.29Å; F78-D80 PolarHBondContact O-N 3.07Å; F78-S81 PolarHBondContact N-OG 3.25Å; F78-S81 PolarHBondContact O-N 3.28Å; F78-S81 PolarHBondContact O-OG 3.35Å; F78-G84 WeakPolarHBondContact O-CA 3.39Å
79P98.1Very high97.3Very high56 Ų5684 Ų8436%0.36446%0.457SS..THydrogen-bonded Turntrans-52.4-45.1-173.7-2935.3000113.8G84 T85 S86 Y87P79-G84 CarbonylContact O-C 3.3Å; P79-G84 VanDerWaalsContact O-C 3.29Å; P79-G84 WeakPolarHBondContact O-CA 3.49Å; P79-T85 PolarHBondContact O-N 3.03Å; P79-S86 WeakPolarHBondContact CA-OG 3.45Å; P79-S86 WeakPolarHBondContact CB-OG 3.37Å; P79-S86 CarbonylContact O-C 3.58Å; P79-S86 VanDerWaalsContact O-C 3.3Å; P79-S86 WeakPolarHBondContact O-CA 3.48Å; P79-S86 PolarHBondContact O-N 3.27Å; P79-S86 PolarHBondContact O-OG 2.81Å; P79-S86 VanDerWaalsContact O-OG 3.07Å; P79-Y87 PolarHBondContact O-N 2.69Å
80D96.9Very high97.2Very high83 Ų8382.7 Ų82.744%0.44444%0.438SS..THydrogen-bonded Turntrans-87.9-4-176.6-61.9-20.6000113.4F78 S86 R173F78-D80 VanDerWaalsContact C-N 3.29Å; F78-D80 PolarHBondContact O-N 3.07Å; D80-S86 PolarHBondContact OD1-OG 3Å; D80-R173 IonicContact OD2-CZ 3.34Å; D80-R173 IonicContact OD2-NH2 2.8Å; D80-R173 PolarHBondContact OD2-NH2 3.26Å
81S97.1Very high97.2Very high32 Ų3282.4 Ų82.422%0.22443%0.433CS..SBendtrans-79.8156.4176.668.60000111.5F78 G83 G84 Y87F78-S81 PolarHBondContact N-OG 3.25Å; F78-S81 PolarHBondContact O-N 3.28Å; F78-S81 PolarHBondContact O-OG 3.35Å; S81-G83 PolarHBondContact O-N 2.92Å; S81-G84 WeakPolarHBondContact O-CA 3.45Å; S81-G84 PolarHBondContact O-N 3.43Å; S81-Y87 WeakPolarHBondContact O-CB 3.43Å; S81-Y87 WeakPolarHBondContact O-CD2 3.47Å
82P97.3Very high97.1Very high95 Ų9587.5 Ų87.562%0.61746%0.459SS*.THydrogen-bonded Turntrans-52.4127.6174.8-26.834.6000112.4G84 Y87P82-G84 VanDerWaalsContact C-N 3.29Å; P82-Y87 VanDerWaalsContact CA-CD2 3.47Å; P82-Y87 HydrophobicContact CB-CD2 4.35Å; P82-Y87 HydrophobicContact CB-CE2 4.03Å; P82-Y87 HydrophobicContact CG-CD2 4.27Å; P82-Y87 HydrophobicContact CG-CE2 3.7Å
83G96.3Very high97.1Very high63 Ų6391.8 Ų91.865%0.64947%0.474SS*.THydrogen-bonded Turntrans82.6-3.4-173.500000115.1L77 S81L77-G83 WeakPolarHBondContact CD1-O 3.41Å; S81-G83 PolarHBondContact O-N 2.92Å
84G97.4Very high97Very high13 Ų1389 Ų8913%0.13445%0.45CS..SBendtrans-74.4163.9171.500000113.1F78 P79 S81 P82 S86 Y87F78-G84 WeakPolarHBondContact O-CA 3.39Å; P79-G84 CarbonylContact O-C 3.3Å; P79-G84 VanDerWaalsContact O-C 3.29Å; P79-G84 WeakPolarHBondContact O-CA 3.49Å; S81-G84 WeakPolarHBondContact O-CA 3.45Å; S81-G84 PolarHBondContact O-N 3.43Å; P82-G84 VanDerWaalsContact C-N 3.29Å; G84-S86 VanDerWaalsContact C-N 3.27Å; G84-S86 PolarHBondContact O-N 2.71Å; G84-Y87 WeakPolarHBondContact O-CB 3.37Å; G84-Y87 PolarHBondContact O-N 3.17Å
85T97.8Very high97Very high120 Ų12085.6 Ų85.674%0.73644%0.44SS*.THydrogen-bonded Turntrans-72.5-13.4-173.555.90000114.9P79 R89P79-T85 PolarHBondContact O-N 3.03Å; T85-R89 PolarHBondContact O-NH2 3.09Å
86S97.1Very high96.9Very high19 Ų1985.9 Ų85.913%0.13344%0.442CS..THydrogen-bonded Turntrans-123.515.6175.856.20000112.8P79 D80 G84 E88 R89P79-S86 WeakPolarHBondContact CA-OG 3.45Å; P79-S86 WeakPolarHBondContact CB-OG 3.37Å; P79-S86 CarbonylContact O-C 3.58Å; P79-S86 VanDerWaalsContact O-C 3.3Å; P79-S86 WeakPolarHBondContact O-CA 3.48Å; P79-S86 PolarHBondContact O-N 3.27Å; P79-S86 PolarHBondContact O-OG 2.81Å; P79-S86 VanDerWaalsContact O-OG 3.07Å; D80-S86 PolarHBondContact OD1-OG 3Å; G84-S86 VanDerWaalsContact C-N 3.27Å; G84-S86 PolarHBondContact O-N 2.71Å; S86-E88 PolarHBondContact O-N 3.27Å; S86-R89 VanDerWaalsContact CB-NE 3.33Å; S86-R89 WeakPolarHBondContact O-CB 3.29Å; S86-R89 PolarHBondContact O-N 2.83Å; S86-R89 VanDerWaalsContact O-N 3.14Å
87Y97.4Very high96.9Very high98 Ų9881.4 Ų81.438%0.38443%0.426SS..THydrogen-bonded Turntrans-56.5129.8173.9-175.2-113.1000110.3P79 S81 P82 G84 R89P79-Y87 PolarHBondContact O-N 2.69Å; S81-Y87 WeakPolarHBondContact O-CB 3.43Å; S81-Y87 WeakPolarHBondContact O-CD2 3.47Å; P82-Y87 VanDerWaalsContact CA-CD2 3.47Å; P82-Y87 HydrophobicContact CB-CD2 4.35Å; P82-Y87 HydrophobicContact CB-CE2 4.03Å; P82-Y87 HydrophobicContact CG-CD2 4.27Å; P82-Y87 HydrophobicContact CG-CE2 3.7Å; G84-Y87 WeakPolarHBondContact O-CB 3.37Å; G84-Y87 PolarHBondContact O-N 3.17Å; Y87-R89 PolarHBondContact O-N 3.1Å
88E96.5Very high96.9Very high111 Ų11184.1 Ų84.152%0.51943%0.43SS..THydrogen-bonded Turntrans55.213-178.5-67.5169.917800115.4S86 Y90 E91S86-E88 PolarHBondContact O-N 3.27Å; E88-Y90 PolarHBondContact O-N 3.3Å; E88-E91 HydrophobicContact CB-CB 4.13Å; E88-E91 VanDerWaalsContact O-CB 3.3Å; E88-E91 WeakPolarHBondContact O-CB 3.39Å; E88-E91 PolarHBondContact O-N 2.84Å
89R96.8Very high96.8Very high146 Ų14681.3 Ų81.355%0.55142%0.422SS*.THydrogen-bonded Turntrans-52.8-35.9179.8177.3-179.8-65.1-111.5-2.1112.9T85 S86 Y87T85-R89 PolarHBondContact O-NH2 3.09Å; S86-R89 VanDerWaalsContact CB-NE 3.33Å; S86-R89 WeakPolarHBondContact O-CB 3.29Å; S86-R89 PolarHBondContact O-N 2.83Å; S86-R89 VanDerWaalsContact O-N 3.14Å; Y87-R89 PolarHBondContact O-N 3.1Å
90Y96.6Very high96.8Very high71 Ų7180.1 Ų80.128%0.27841%0.412SS..THydrogen-bonded Turntrans-98.92.5-176.9-59.6-71.1000113.8E88 M92 Y93 R173 V175E88-Y90 PolarHBondContact O-N 3.3Å; Y90-M92 VanDerWaalsContact C-N 3.29Å; Y90-M92 PolarHBondContact O-N 2.95Å; Y90-Y93 HydrophobicContact CD1-CD2 4.08Å; Y90-Y93 HydrophobicContact CD1-CE2 4.32Å; Y90-Y93 PolarHBondContact O-N 2.81Å; Y90-Y93 VanDerWaalsContact O-N 3.08Å; Y90-R173 HydrophobicContact CD2-CG 4.24Å; Y90-R173 HydrophobicContact CE2-CG 4.35Å; Y90-V175 HydrophobicContact CD1-CG1 4.16Å; Y90-V175 HydrophobicContact CD1-CG2 3.94Å; Y90-V175 HydrophobicContact CE1-CG1 4.36Å; Y90-V175 HydrophobicContact CE1-CG2 3.64Å
91E96.4Very high96.7Very high96 Ų9678.8 Ų78.845%0.44941%0.405SS..G310 helixtrans-61.8-37.6-174.6-16160.5-147.400112.1E88 Y93 K94E88-E91 HydrophobicContact CB-CB 4.13Å; E88-E91 VanDerWaalsContact O-CB 3.3Å; E88-E91 WeakPolarHBondContact O-CB 3.39Å; E88-E91 PolarHBondContact O-N 2.84Å; E91-Y93 PolarHBondContact O-N 2.98Å; E91-Y93 VanDerWaalsContact O-N 3.11Å; E91-K94 WeakPolarHBondContact O-CB 3.39Å; E91-K94 PolarHBondContact O-N 3.14Å; E91-K94 WeakPolarHBondContact OE2-CD 3.07Å; E91-K94 WeakPolarHBondContact OE2-CE 3.4Å; E91-K94 IonicContact OE2-NZ 2.95Å; E91-K94 PolarHBondContact OE2-NZ 2.91Å
92M95.4Very high96.8Very high167 Ų16784.1 Ų84.182%0.82343%0.426SS*.G310 helixtrans-56.2-29.3175.9-173.269.674.900113.5Y90Y90-M92 VanDerWaalsContact C-N 3.29Å; Y90-M92 PolarHBondContact O-N 2.95Å
93Y96.6Very high96.8Very high134 Ų13484.3 Ų84.353%0.52542%0.415SS..G310 helixtrans-91.3-5.5-177.8-53.3-64.9000113Y90 E91 V95 P174 V175Y90-Y93 HydrophobicContact CD1-CD2 4.08Å; Y90-Y93 HydrophobicContact CD1-CE2 4.32Å; Y90-Y93 PolarHBondContact O-N 2.81Å; Y90-Y93 VanDerWaalsContact O-N 3.08Å; E91-Y93 PolarHBondContact O-N 2.98Å; E91-Y93 VanDerWaalsContact O-N 3.11Å; Y93-V95 PolarHBondContact O-N 3.05Å; Y93-P174 WeakPolarHBondContact O-CG 3.41Å; Y93-V175 HydrophobicContact CD2-CG1 4.01Å; Y93-V175 HydrophobicContact CE2-CG1 4.36Å; Y93-V175 HydrophobicContact CG-CG1 4.29Å
94K96.7Very high96.9Very high56 Ų5686.7 Ų86.724%0.24341%0.409CS..  trans-82.767.6-179.6-67.5-176.2-163.51670110.8E91 P170 E172 P174E91-K94 WeakPolarHBondContact O-CB 3.39Å; E91-K94 PolarHBondContact O-N 3.14Å; E91-K94 WeakPolarHBondContact OE2-CD 3.07Å; E91-K94 WeakPolarHBondContact OE2-CE 3.4Å; E91-K94 IonicContact OE2-NZ 2.95Å; E91-K94 PolarHBondContact OE2-NZ 2.91Å; K94-P170 HydrophobicContact CB-CB 3.6Å; K94-P170 HydrophobicContact CB-CG 4.02Å; K94-P170 HydrophobicContact CD-CB 4.36Å; K94-P170 HydrophobicContact CG-CB 3.94Å; K94-E172 WeakPolarHBondContact CE-O 3.46Å; K94-P174 HydrophobicContact CG-CG 4.15Å
95V96.3Very high96.9Very high93 Ų9390.5 Ų90.556%0.56443%0.431SS*.  trans-65.1127.8176.2-176.20000109.2Y93 C99Y93-V95 PolarHBondContact O-N 3.05Å; V95-C99 HydrophobicContact CG1-CB 3.72Å
96P96.8Very high96.9Very high48 Ų4888.6 Ų88.631%0.31242%0.423SS..  trans-69.4145.5179.330.4-35.3000110.6W98 C99P96-W98 VanDerWaalsContact CB-NE1 3.34Å; P96-W98 HydrophobicContact CG-CD2 4.4Å; P96-W98 HydrophobicContact CG-CZ2 3.77Å; P96-W98 PolarHBondContact O-N 3.08Å; P96-W98 VanDerWaalsContact O-N 3.1Å; P96-C99 WeakPolarHBondContact O-CB 3.46Å; P96-C99 PolarHBondContact O-N 2.7Å; P96-C99 VanDerWaalsContact O-N 3.08Å
97E96.4Very high97Very high33 Ų3392.4 Ų92.415%0.15444%0.439CS..G310 helixtrans-58.6-31.8-17064.378.7-16600113.7C99 L100 R118 R125 W164E97-C99 PolarHBondContact O-N 2.83Å; E97-L100 WeakPolarHBondContact O-CB 3.4Å; E97-L100 WeakPolarHBondContact O-CG 3.3Å; E97-L100 PolarHBondContact O-N 3.08Å; E97-L100 VanDerWaalsContact O-N 3.09Å; E97-R118 PolarHBondContact O-NH1 3.02Å; E97-R118 PolarHBondContact O-NH2 2.87Å; E97-R118 IonicContact OE2-CZ 3.22Å; E97-R118 IonicContact OE2-NH1 3.54Å; E97-R118 PolarHBondContact OE2-NH1 3.21Å; E97-R118 IonicContact OE2-NH2 2.79Å; E97-R118 PolarHBondContact OE2-NH2 3.33Å; E97-R125 IonicContact OE1-NH1 2.7Å; E97-W164 WeakPolarHBondContact OE1-CZ2 3.23Å; E97-W164 PolarHBondContact OE1-NE1 3.08Å
98W96.7Very high97Very high140 Ų14090.6 Ų90.653%0.5343%0.432SS..G310 helixtrans-66.2-19.5-177.459.8-100.2000112.6P96 L100 D101 H102P96-W98 VanDerWaalsContact CB-NE1 3.34Å; P96-W98 HydrophobicContact CG-CD2 4.4Å; P96-W98 HydrophobicContact CG-CZ2 3.77Å; P96-W98 PolarHBondContact O-N 3.08Å; P96-W98 VanDerWaalsContact O-N 3.1Å; W98-L100 PolarHBondContact O-N 2.85Å; W98-D101 WeakPolarHBondContact O-CB 3.45Å; W98-D101 PolarHBondContact O-N 3.09Å; W98-D101 VanDerWaalsContact O-N 3.09Å; W98-H102 AromaticContact CE3-NE2 3.82Å; W98-H102 AromaticContact CZ3-NE2 3.84Å
99C96.9Very high97Very high34 Ų3488.7 Ų88.723%0.2344%0.436CS..G310 helixtrans-60.9-26.8173.1-67.50000112.8V95 P96 E97 D101 H102V95-C99 HydrophobicContact CG1-CB 3.72Å; P96-C99 WeakPolarHBondContact O-CB 3.46Å; P96-C99 PolarHBondContact O-N 2.7Å; P96-C99 VanDerWaalsContact O-N 3.08Å; E97-C99 PolarHBondContact O-N 2.83Å; C99-D101 PolarHBondContact O-N 3.17Å; C99-H102 PolarHBondContact O-N 3.29Å; C99-H102 VanDerWaalsContact O-N 3.16Å
100L96.7Very high97.1Very high31 Ų3188 Ų8816%0.16244%0.441CS..G310 helixtrans-65.8-20.9177.5-62.2175.6000112.7E97 W98 H102 W103 K108 Y114 F115E97-L100 WeakPolarHBondContact O-CB 3.4Å; E97-L100 WeakPolarHBondContact O-CG 3.3Å; E97-L100 PolarHBondContact O-N 3.08Å; E97-L100 VanDerWaalsContact O-N 3.09Å; W98-L100 PolarHBondContact O-N 2.85Å; L100-H102 PolarHBondContact O-N 3.22Å; L100-W103 HydrophobicContact CD2-CD2 4.14Å; L100-W103 VanDerWaalsContact CD2-CE2 3.43Å; L100-W103 HydrophobicContact CD2-CH2 3.98Å; L100-W103 HydrophobicContact CD2-CZ2 3.35Å; L100-W103 PolarHBondContact O-N 3.29Å; L100-K108 VanDerWaalsContact O-CE 3.23Å; L100-K108 WeakPolarHBondContact O-CE 3.19Å; L100-Y114 HydrophobicContact CD1-CE1 4.02Å; L100-Y114 WeakPolarHBondContact CD1-OH 3.5Å; L100-F115 HydrophobicContact CB-CE1 4.38Å
101D96.6Very high97.1Very high54 Ų5489.9 Ų89.929%0.28945%0.448SS..G310 helixtrans-70.9-23.5177.3-70.4-3.3000111.7W98 C99 K108 R118 K122W98-D101 WeakPolarHBondContact O-CB 3.45Å; W98-D101 PolarHBondContact O-N 3.09Å; W98-D101 VanDerWaalsContact O-N 3.09Å; C99-D101 PolarHBondContact O-N 3.17Å; D101-K108 PolarHBondContact O-NZ 3.38Å; D101-R118 IonicContact OD1-CZ 3.78Å; D101-R118 IonicContact OD1-NE 2.81Å; D101-R118 PolarHBondContact OD1-NE 3.39Å; D101-R118 IonicContact OD1-NH2 3.62Å; D101-R118 PolarHBondContact OD1-NH2 3.32Å; D101-R118 IonicContact OD2-NH2 3.7Å; D101-K122 IonicContact OD1-NZ 3.98Å; D101-K122 PolarHBondContact OD1-NZ 2.94Å; D101-K122 IonicContact OD2-NZ 3.44Å; D101-K122 PolarHBondContact OD2-NZ 3.31Å
102H97.5Very high97.2Very high145 Ų14589.2 Ų89.267%0.67145%0.452SS*.G310 helixtrans-86.7-3.1-179.6-60.7-65.5000114.5W98 C99 L100W98-H102 AromaticContact CE3-NE2 3.82Å; W98-H102 AromaticContact CZ3-NE2 3.84Å; C99-H102 PolarHBondContact O-N 3.29Å; C99-H102 VanDerWaalsContact O-N 3.16Å; L100-H102 PolarHBondContact O-N 3.22Å
103W97.8Very high97.3Very high98 Ų9887 Ų8737%0.37144%0.444SS..SBendtrans-63147.2177.6-73.719.6000112L100 E107 K108 Y111 F115L100-W103 HydrophobicContact CD2-CD2 4.14Å; L100-W103 VanDerWaalsContact CD2-CE2 3.43Å; L100-W103 HydrophobicContact CD2-CH2 3.98Å; L100-W103 HydrophobicContact CD2-CZ2 3.35Å; L100-W103 PolarHBondContact O-N 3.29Å; W103-E107 HydrophobicContact CE3-CB 4.15Å; W103-K108 HydrophobicContact CB-CD 4.46Å; W103-K108 HydrophobicContact CB-CG 3.85Å; W103-K108 VanDerWaalsContact O-CE 3.24Å; W103-K108 WeakPolarHBondContact O-CE 3.38Å; W103-Y111 HydrophobicContact CZ3-CD2 4.16Å; W103-Y111 HydrophobicContact CZ3-CE2 4.14Å; W103-F115 HydrophobicContact CD2-CZ 4.48Å; W103-F115 HydrophobicContact CE3-CE2 4.27Å; W103-F115 AromaticContact CE3-CZ 3.9Å; W103-F115 HydrophobicContact CE3-CZ 3.9Å; W103-F115 HydrophobicContact CZ3-CE2 4.45Å; W103-F115 HydrophobicContact CZ3-CZ 4.33Å
104H98.2Very high97.4Very high114 Ų11486.4 Ų86.453%0.52844%0.441SS..  trans-67.2144.5176.7-175.5-99.7000110.1S106 E107 K108H104-S106 WeakPolarHBondContact ND1-CB 3.49Å; H104-S106 PolarHBondContact ND1-N 3.27Å; H104-S106 PolarHBondContact ND1-OG 2.82Å; H104-S106 PolarHBondContact O-N 3.36Å; H104-S106 VanDerWaalsContact O-N 3.08Å; H104-E107 HydrophobicContact CB-CG 4.26Å; H104-E107 PolarHBondContact N-OE2 2.82Å; H104-E107 WeakPolarHBondContact O-CB 3.38Å; H104-E107 PolarHBondContact O-N 3.36Å; H104-K108 PolarHBondContact O-N 3.44Å; H104-K108 VanDerWaalsContact O-N 3.09Å
105P97.9Very high97.5Very high93 Ų9384.8 Ų84.860%0.60443%0.434SS*.Hα-helixtrans-53.8-32.4-179.2-30.837.4000114.9E107 K108 A109P105-E107 VanDerWaalsContact C-N 3.32Å; P105-E107 PolarHBondContact O-N 3.3Å; P105-K108 PolarHBondContact O-N 3.26Å; P105-A109 WeakPolarHBondContact O-CB 3.48Å; P105-A109 PolarHBondContact O-N 2.93Å
106S97.9Very high97.5Very high80 Ų8083.1 Ų83.156%0.55943%0.43SS*.Hα-helixtrans-65.1-34.1175.266.80000113.1H104H104-S106 WeakPolarHBondContact ND1-CB 3.49Å; H104-S106 PolarHBondContact ND1-N 3.27Å; H104-S106 PolarHBondContact ND1-OG 2.82Å; H104-S106 PolarHBondContact O-N 3.36Å; H104-S106 VanDerWaalsContact O-N 3.08Å
107E97.9Very high97.6Very high99 Ų9987 Ų8746%0.46344%0.442SS..Hα-helixtrans-75.4-38.9177.3-59.2170.4151.400110.3W103 H104 P105 A109 M110W103-E107 HydrophobicContact CE3-CB 4.15Å; H104-E107 HydrophobicContact CB-CG 4.26Å; H104-E107 PolarHBondContact N-OE2 2.82Å; H104-E107 WeakPolarHBondContact O-CB 3.38Å; H104-E107 PolarHBondContact O-N 3.36Å; P105-E107 VanDerWaalsContact C-N 3.32Å; P105-E107 PolarHBondContact O-N 3.3Å; E107-A109 VanDerWaalsContact C-N 3.31Å; E107-A109 PolarHBondContact O-N 2.93Å; E107-M110 WeakPolarHBondContact O-CB 3.43Å; E107-M110 PolarHBondContact O-N 3.48Å
108K97.5Very high97.6Very high59 Ų5986.3 Ų86.326%0.25744%0.438SS..Hα-helixtrans-64.1-37.7174.5-63.5-173.3178.8170.10112.1L100 D101 W103 H104 P105 M110 Y111 F115L100-K108 VanDerWaalsContact O-CE 3.23Å; L100-K108 WeakPolarHBondContact O-CE 3.19Å; D101-K108 PolarHBondContact O-NZ 3.38Å; W103-K108 HydrophobicContact CB-CD 4.46Å; W103-K108 HydrophobicContact CB-CG 3.85Å; W103-K108 VanDerWaalsContact O-CE 3.24Å; W103-K108 WeakPolarHBondContact O-CE 3.38Å; H104-K108 PolarHBondContact O-N 3.44Å; H104-K108 VanDerWaalsContact O-N 3.09Å; P105-K108 PolarHBondContact O-N 3.26Å; K108-M110 PolarHBondContact O-N 3.48Å; K108-M110 VanDerWaalsContact O-N 3.12Å; K108-Y111 CarbonylContact O-C 3.55Å; K108-Y111 PolarHBondContact O-N 2.98Å; K108-F115 HydrophobicContact CB-CD2 3.92Å; K108-F115 HydrophobicContact CB-CE2 3.87Å; K108-F115 HydrophobicContact CB-CG 4.31Å; K108-F115 HydrophobicContact CB-CZ 4.19Å; K108-F115 HydrophobicContact CD-CD1 4.23Å; K108-F115 HydrophobicContact CD-CE1 4.01Å; K108-F115 HydrophobicContact CD-CZ 4.32Å; K108-F115 HydrophobicContact CG-CD1 4.33Å; K108-F115 HydrophobicContact CG-CD2 4.31Å; K108-F115 HydrophobicContact CG-CE1 3.91Å; K108-F115 HydrophobicContact CG-CE2 3.9Å; K108-F115 HydrophobicContact CG-CZ 3.69Å; K108-F115 WeakPolarHBondContact O-CD2 3.35Å
109A97.2Very high97.7Very high72 Ų7284.3 Ų84.360%0.59544%0.435SS*.THydrogen-bonded Turntrans-61.5-18177.200000113.4P105 E107 Y111P105-A109 WeakPolarHBondContact O-CB 3.48Å; P105-A109 PolarHBondContact O-N 2.93Å; E107-A109 VanDerWaalsContact C-N 3.31Å; E107-A109 PolarHBondContact O-N 2.93Å; A109-Y111 VanDerWaalsContact C-N 3.28Å; A109-Y111 PolarHBondContact O-N 2.96Å
110M98.3Very high97.7Very high132 Ų13289.2 Ų89.265%0.6545%0.454SS*.THydrogen-bonded Turntrans-68.1-26.5172.6-171177.2178.100112.7E107 K108 P112E107-M110 WeakPolarHBondContact O-CB 3.43Å; E107-M110 PolarHBondContact O-N 3.48Å; K108-M110 PolarHBondContact O-N 3.48Å; K108-M110 VanDerWaalsContact O-N 3.12Å; M110-P112 VanDerWaalsContact C-CD 3.45Å; M110-P112 WeakPolarHBondContact O-CD 3.41Å
111Y98.1Very high97.8Very high110 Ų11093.7 Ų93.743%0.43147%0.469SS..SBendtrans-127.259.8-175.3-54.6-76.7000112.2W103 K108 A109 D113 Y114 F115W103-Y111 HydrophobicContact CZ3-CD2 4.16Å; W103-Y111 HydrophobicContact CZ3-CE2 4.14Å; K108-Y111 CarbonylContact O-C 3.55Å; K108-Y111 PolarHBondContact O-N 2.98Å; A109-Y111 VanDerWaalsContact C-N 3.28Å; A109-Y111 PolarHBondContact O-N 2.96Å; Y111-D113 PolarHBondContact O-N 2.97Å; Y111-Y114 PolarHBondContact O-N 3.22Å; Y111-F115 WeakPolarHBondContact O-CD2 3.5Å; Y111-F115 PolarHBondContact O-N 3.08Å; Y111-F115 VanDerWaalsContact O-N 3.14Å
112P97.4Very high97.8Very high82 Ų8293.2 Ų93.253%0.53247%0.465SS..Hα-helixtrans-60.4-44.1-169.324.4-33.7000112.7M110 Y114 F115 A116M110-P112 VanDerWaalsContact C-CD 3.45Å; M110-P112 WeakPolarHBondContact O-CD 3.41Å; P112-Y114 VanDerWaalsContact C-N 3.34Å; P112-Y114 PolarHBondContact O-N 3.33Å; P112-F115 PolarHBondContact O-N 3.11Å; P112-A116 VanDerWaalsContact O-CB 3.28Å; P112-A116 WeakPolarHBondContact O-CB 3.26Å; P112-A116 PolarHBondContact O-N 3.33Å
113D98.3Very high97.8Very high121 Ų12192.3 Ų92.365%0.64746%0.459SS*.Hα-helixtrans-66.7-35.7-178.7-64.5-22.3000112.9Y111 K117Y111-D113 PolarHBondContact O-N 2.97Å; D113-K117 WeakPolarHBondContact O-CB 3.49Å; D113-K117 VanDerWaalsContact O-CG 3.3Å; D113-K117 WeakPolarHBondContact O-CG 3.37Å; D113-K117 PolarHBondContact O-N 3.42Å; D113-K117 VanDerWaalsContact O-N 3.08Å
114Y98.3Very high97.8Very high121 Ų12190.9 Ų90.948%0.47546%0.458SS..Hα-helixtrans-67.7-49.6178.7174.8-94.5000110.4L100 Y111 P112 A116 K117 R118L100-Y114 HydrophobicContact CD1-CE1 4.02Å; L100-Y114 WeakPolarHBondContact CD1-OH 3.5Å; Y111-Y114 PolarHBondContact O-N 3.22Å; P112-Y114 VanDerWaalsContact C-N 3.34Å; P112-Y114 PolarHBondContact O-N 3.33Å; Y114-A116 PolarHBondContact O-N 2.9Å; Y114-K117 PolarHBondContact O-N 3.45Å; Y114-R118 WeakPolarHBondContact O-CB 3.3Å; Y114-R118 PolarHBondContact O-N 3.29Å
115F98.2Very high97.7Very high21 Ų2190.1 Ų90.19%0.09245%0.45CS..Hα-helixtrans-66.3-37.4178.7-77.1-76.2000111.7L100 W103 K108 Y111 P112 K117 R118 E119L100-F115 HydrophobicContact CB-CE1 4.38Å; W103-F115 HydrophobicContact CD2-CZ 4.48Å; W103-F115 HydrophobicContact CE3-CE2 4.27Å; W103-F115 AromaticContact CE3-CZ 3.9Å; W103-F115 HydrophobicContact CE3-CZ 3.9Å; W103-F115 HydrophobicContact CZ3-CE2 4.45Å; W103-F115 HydrophobicContact CZ3-CZ 4.33Å; K108-F115 HydrophobicContact CB-CD2 3.92Å; K108-F115 HydrophobicContact CB-CE2 3.87Å; K108-F115 HydrophobicContact CB-CG 4.31Å; K108-F115 HydrophobicContact CB-CZ 4.19Å; K108-F115 HydrophobicContact CD-CD1 4.23Å; K108-F115 HydrophobicContact CD-CE1 4.01Å; K108-F115 HydrophobicContact CD-CZ 4.32Å; K108-F115 HydrophobicContact CG-CD1 4.33Å; K108-F115 HydrophobicContact CG-CD2 4.31Å; K108-F115 HydrophobicContact CG-CE1 3.91Å; K108-F115 HydrophobicContact CG-CE2 3.9Å; K108-F115 HydrophobicContact CG-CZ 3.69Å; K108-F115 WeakPolarHBondContact O-CD2 3.35Å; Y111-F115 WeakPolarHBondContact O-CD2 3.5Å; Y111-F115 PolarHBondContact O-N 3.08Å; Y111-F115 VanDerWaalsContact O-N 3.14Å; P112-F115 PolarHBondContact O-N 3.11Å; F115-K117 PolarHBondContact O-N 3.14Å; F115-R118 WeakPolarHBondContact O-CB 3.28Å; F115-R118 PolarHBondContact O-N 3.5Å; F115-E119 WeakPolarHBondContact O-CG 3.43Å; F115-E119 PolarHBondContact O-N 3.08Å
116A97.5Very high97.6Very high58 Ų5892.5 Ų92.548%0.47945%0.453SS..Hα-helixtrans-59.6-43.2173.500000112.6P112 Y114P112-A116 VanDerWaalsContact O-CB 3.28Å; P112-A116 WeakPolarHBondContact O-CB 3.26Å; P112-A116 PolarHBondContact O-N 3.33Å; Y114-A116 PolarHBondContact O-N 2.9Å
117K98.2Very high97.6Very high129 Ų12994.7 Ų94.756%0.56146%0.455SS*.Hα-helixtrans-68-40.2174.6-72.6172.1-175.8173.60111.9D113 Y114 F115 E119 Q120 W121D113-K117 WeakPolarHBondContact O-CB 3.49Å; D113-K117 VanDerWaalsContact O-CG 3.3Å; D113-K117 WeakPolarHBondContact O-CG 3.37Å; D113-K117 PolarHBondContact O-N 3.42Å; D113-K117 VanDerWaalsContact O-N 3.08Å; Y114-K117 PolarHBondContact O-N 3.45Å; F115-K117 PolarHBondContact O-N 3.14Å; K117-E119 VanDerWaalsContact C-N 3.3Å; K117-E119 PolarHBondContact O-N 2.94Å; K117-Q120 VanDerWaalsContact O-CB 3.31Å; K117-Q120 WeakPolarHBondContact O-CB 3.45Å; K117-Q120 PolarHBondContact O-N 3.02Å; K117-Q120 VanDerWaalsContact O-N 3.08Å; K117-W121 PolarHBondContact O-N 3.42Å
118R97.4Very high97.5Very high19 Ų1990.8 Ų90.87%0.07244%0.438CS..Hα-helixtrans-58.9-40.2178179.5-179.9171.484.16.2111.9E97 D101 Y114 F115 Q120 W121 K122E97-R118 PolarHBondContact O-NH1 3.02Å; E97-R118 PolarHBondContact O-NH2 2.87Å; E97-R118 IonicContact OE2-CZ 3.22Å; E97-R118 IonicContact OE2-NH1 3.54Å; E97-R118 PolarHBondContact OE2-NH1 3.21Å; E97-R118 IonicContact OE2-NH2 2.79Å; E97-R118 PolarHBondContact OE2-NH2 3.33Å; D101-R118 IonicContact OD1-CZ 3.78Å; D101-R118 IonicContact OD1-NE 2.81Å; D101-R118 PolarHBondContact OD1-NE 3.39Å; D101-R118 IonicContact OD1-NH2 3.62Å; D101-R118 PolarHBondContact OD1-NH2 3.32Å; D101-R118 IonicContact OD2-NH2 3.7Å; Y114-R118 WeakPolarHBondContact O-CB 3.3Å; Y114-R118 PolarHBondContact O-N 3.29Å; F115-R118 WeakPolarHBondContact O-CB 3.28Å; F115-R118 PolarHBondContact O-N 3.5Å; R118-Q120 VanDerWaalsContact C-N 3.26Å; R118-Q120 PolarHBondContact O-N 2.68Å; R118-W121 WeakPolarHBondContact O-CB 3.41Å; R118-W121 PolarHBondContact O-N 2.95Å; R118-W121 VanDerWaalsContact O-N 3.09Å; R118-K122 HydrophobicContact CG-CD 4.38Å; R118-K122 PolarHBondContact O-N 2.99Å
119E97.3Very high97.5Very high99 Ų9994.4 Ų94.446%0.46345%0.45SS..Hα-helixtrans-62-33.1175.8-67.9-50.9131.900112.6F115 K117 W121 K122 K123F115-E119 WeakPolarHBondContact O-CG 3.43Å; F115-E119 PolarHBondContact O-N 3.08Å; K117-E119 VanDerWaalsContact C-N 3.3Å; K117-E119 PolarHBondContact O-N 2.94Å; E119-W121 VanDerWaalsContact C-N 3.35Å; E119-W121 PolarHBondContact O-N 3.49Å; E119-K122 PolarHBondContact O-N 3.34Å; E119-K123 WeakPolarHBondContact O-CB 3.35Å; E119-K123 PolarHBondContact O-N 3.32Å
120Q97.9Very high97.4Very high137 Ų13794.2 Ų94.264%0.6445%0.449SS*.Hα-helixtrans-63.6-40.9173.1-58.3173.2-7.800111.5K117 R118 L124K117-Q120 VanDerWaalsContact O-CB 3.31Å; K117-Q120 WeakPolarHBondContact O-CB 3.45Å; K117-Q120 PolarHBondContact O-N 3.02Å; K117-Q120 VanDerWaalsContact O-N 3.08Å; R118-Q120 VanDerWaalsContact C-N 3.26Å; R118-Q120 PolarHBondContact O-N 2.68Å; Q120-L124 WeakPolarHBondContact O-CB 3.43Å; Q120-L124 PolarHBondContact O-N 3.38Å
121W97.8Very high97.3Very high124 Ų12489.6 Ų89.647%0.4744%0.435SS..Hα-helixtrans-67.1-40.2175.8-78.388.7000112.7K117 R118 E119 L124 R125 W163 W164 V167K117-W121 PolarHBondContact O-N 3.42Å; R118-W121 WeakPolarHBondContact O-CB 3.41Å; R118-W121 PolarHBondContact O-N 2.95Å; R118-W121 VanDerWaalsContact O-N 3.09Å; E119-W121 VanDerWaalsContact C-N 3.35Å; E119-W121 PolarHBondContact O-N 3.49Å; W121-L124 WeakPolarHBondContact O-CB 3.43Å; W121-L124 PolarHBondContact O-N 2.95Å; W121-R125 PolarHBondContact O-N 3.09Å; W121-W163 AromaticContact CE3-CH2 3.84Å; W121-W163 HydrophobicContact CE3-CH2 3.84Å; W121-W163 HydrophobicContact CE3-CZ3 4.08Å; W121-W163 AromaticContact CZ3-CH2 3.9Å; W121-W163 HydrophobicContact CZ3-CH2 3.9Å; W121-W163 AromaticContact CZ3-CZ3 3.79Å; W121-W163 HydrophobicContact CZ3-CZ3 3.79Å; W121-W164 HydrophobicContact CB-CH2 4.23Å; W121-W164 HydrophobicContact CB-CZ3 4.3Å; W121-W164 HydrophobicContact CE3-CZ3 4.48Å; W121-V167 HydrophobicContact CZ3-CG1 4.19Å
122K97.3Very high97.1Very high45 Ų4584.8 Ų84.820%0.19642%0.417CS..Hα-helixtrans-64.2-44.9176.1-70.7179.663.1168.80111.2D101 R118 E119 L124 R125 E126D101-K122 IonicContact OD1-NZ 3.98Å; D101-K122 PolarHBondContact OD1-NZ 2.94Å; D101-K122 IonicContact OD2-NZ 3.44Å; D101-K122 PolarHBondContact OD2-NZ 3.31Å; R118-K122 HydrophobicContact CG-CD 4.38Å; R118-K122 PolarHBondContact O-N 2.99Å; E119-K122 PolarHBondContact O-N 3.34Å; K122-L124 VanDerWaalsContact C-N 3.31Å; K122-L124 PolarHBondContact O-N 3.41Å; K122-R125 WeakPolarHBondContact O-CB 3.48Å; K122-R125 PolarHBondContact O-N 2.93Å; K122-E126 WeakPolarHBondContact O-CG 3.39Å; K122-E126 PolarHBondContact O-N 3.19Å
123K97.7Very high97.1Very high126 Ų12682.9 Ų82.955%0.54840%0.403SS..Hα-helixtrans-58.3-43.8173.7-176176.6179.8179.20111.9E119 R125 E126 Q127E119-K123 WeakPolarHBondContact O-CB 3.35Å; E119-K123 PolarHBondContact O-N 3.32Å; K123-R125 VanDerWaalsContact C-N 3.35Å; K123-R125 PolarHBondContact O-N 2.83Å; K123-E126 PolarHBondContact O-N 3.36Å; K123-Q127 VanDerWaalsContact CE-NE2 3.29Å; K123-Q127 HydrophobicContact CG-CG 4.5Å; K123-Q127 WeakPolarHBondContact O-CB 3.31Å; K123-Q127 VanDerWaalsContact O-CG 3.22Å; K123-Q127 WeakPolarHBondContact O-CG 3.45Å; K123-Q127 PolarHBondContact O-N 3.29Å
124L96.8Very high97Very high68 Ų6882.1 Ų82.136%0.35640%0.396SS..Hα-helixtrans-60.6-43.8176.4-179.561.8000111.8Q120 W121 K122 Q127 S128 L159Q120-L124 WeakPolarHBondContact O-CB 3.43Å; Q120-L124 PolarHBondContact O-N 3.38Å; W121-L124 WeakPolarHBondContact O-CB 3.43Å; W121-L124 PolarHBondContact O-N 2.95Å; K122-L124 VanDerWaalsContact C-N 3.31Å; K122-L124 PolarHBondContact O-N 3.41Å; L124-Q127 PolarHBondContact O-N 3.33Å; L124-S128 WeakPolarHBondContact O-CB 3.44Å; L124-S128 PolarHBondContact O-N 2.98Å; L124-S128 PolarHBondContact O-OG 3.35Å; L124-L159 HydrophobicContact CD1-CD1 3.85Å; L124-L159 HydrophobicContact CD2-CD1 3.93Å; L124-L159 HydrophobicContact CG-CD1 3.69Å
125R96.9Very high96.8Very high97 Ų9777.1 Ų77.137%0.36638%0.377SS..Hα-helixtrans-61.9-43.7176.4-174-166-175.5177.6-3.5112.5E97 W121 K122 K123 Q127 S128 W129 W163 W164E97-R125 IonicContact OE1-NH1 2.7Å; W121-R125 PolarHBondContact O-N 3.09Å; K122-R125 WeakPolarHBondContact O-CB 3.48Å; K122-R125 PolarHBondContact O-N 2.93Å; K123-R125 VanDerWaalsContact C-N 3.35Å; K123-R125 PolarHBondContact O-N 2.83Å; R125-Q127 VanDerWaalsContact C-N 3.34Å; R125-S128 PolarHBondContact O-N 3.48Å; R125-S128 PolarHBondContact O-OG 2.54Å; R125-W129 PolarHBondContact O-N 3.12Å; R125-W129 VanDerWaalsContact O-N 3.12Å; R125-W163 HydrophobicContact CB-CZ2 4.35Å; R125-W164 HydrophobicContact CB-CE3 3.79Å; R125-W164 HydrophobicContact CB-CZ3 3.82Å; R125-W164 VanDerWaalsContact CD-CD2 3.41Å; R125-W164 HydrophobicContact CG-CB 4.5Å; R125-W164 HydrophobicContact CG-CD2 4.02Å; R125-W164 HydrophobicContact CG-CE3 3.73Å; R125-W164 HydrophobicContact CG-CG 4.37Å; R125-W164 HydrophobicContact CG-CZ3 4.23Å; R125-W164 VanDerWaalsContact CZ-CG 3.44Å; R125-W164 VanDerWaalsContact NH1-CD1 3.29Å; R125-W164 VanDerWaalsContact NH1-CE2 3.31Å
126E96.5Very high96.7Very high143 Ų14377.7 Ų77.767%0.66838%0.381SS*.Hα-helixtrans-63.9-41.2177.8-73.4172.5-17300111.6K122 K123K122-E126 WeakPolarHBondContact O-CG 3.39Å; K122-E126 PolarHBondContact O-N 3.19Å; K123-E126 PolarHBondContact O-N 3.36Å
127Q96.3Very high96.6Very high127 Ų12781.9 Ų81.959%0.59339%0.39SS*.Hα-helixtrans-67.7-38.5178.1-72.6175.3-16.100112.6K123 L124 R125K123-Q127 VanDerWaalsContact CE-NE2 3.29Å; K123-Q127 HydrophobicContact CG-CG 4.5Å; K123-Q127 WeakPolarHBondContact O-CB 3.31Å; K123-Q127 VanDerWaalsContact O-CG 3.22Å; K123-Q127 WeakPolarHBondContact O-CG 3.45Å; K123-Q127 PolarHBondContact O-N 3.29Å; L124-Q127 PolarHBondContact O-N 3.33Å; R125-Q127 VanDerWaalsContact C-N 3.34Å
128S96.4Very high96.5Very high16 Ų1682 Ų8211%0.11239%0.393CS..Hα-helixtrans-77.2-29.7-177.670.30000113L124 R125 A130 G131 E132 W163L124-S128 WeakPolarHBondContact O-CB 3.44Å; L124-S128 PolarHBondContact O-N 2.98Å; L124-S128 PolarHBondContact O-OG 3.35Å; R125-S128 PolarHBondContact O-N 3.48Å; R125-S128 PolarHBondContact O-OG 2.54Å; S128-A130 PolarHBondContact O-N 2.94Å; S128-G131 PolarHBondContact O-N 3.17Å; S128-G131 VanDerWaalsContact O-N 3.1Å; S128-E132 WeakPolarHBondContact CB-OE1 3.45Å; S128-E132 WeakPolarHBondContact O-CG 3.36Å; S128-E132 PolarHBondContact O-N 2.98Å; S128-E132 PolarHBondContact OG-OE1 3.47Å; S128-W163 PolarHBondContact OG-NE1 3.22Å
129W96.8Very high96.3Very high135 Ų13584.5 Ų84.551%0.51141%0.405SS..Hα-helixtrans-52.6-47.5-170.7-179.6-110.3000114.7R125 G131 E132 V133 L162R125-W129 PolarHBondContact O-N 3.12Å; R125-W129 VanDerWaalsContact O-N 3.12Å; W129-G131 PolarHBondContact O-N 3.1Å; W129-E132 PolarHBondContact O-N 3.39Å; W129-V133 HydrophobicContact CD2-CG2 4.02Å; W129-V133 HydrophobicContact CE3-CG2 4.45Å; W129-V133 HydrophobicContact CH2-CG2 4.21Å; W129-V133 HydrophobicContact CZ2-CG2 3.74Å; W129-V133 WeakPolarHBondContact O-CG2 3.39Å; W129-V133 PolarHBondContact O-N 3.23Å; W129-L162 HydrophobicContact CH2-CD2 4.13Å; W129-L162 HydrophobicContact CZ3-CD2 3.86Å
130A96.2Very high96.2Very high69 Ų6982.3 Ų82.357%0.5740%0.399SS*.Hα-helixtrans-64.3-41.3-178.300000112.1S128 Q134S128-A130 PolarHBondContact O-N 2.94Å; A130-Q134 WeakPolarHBondContact O-CB 3.45Å; A130-Q134 PolarHBondContact O-N 2.97Å
131G95.3Very high96Very high35 Ų3578.7 Ų78.736%0.36139%0.388SS..Hα-helixtrans-67.4-40.8177.400000112.4S128 W129 Q134 Q135S128-G131 PolarHBondContact O-N 3.17Å; S128-G131 VanDerWaalsContact O-N 3.1Å; W129-G131 PolarHBondContact O-N 3.1Å; G131-Q134 PolarHBondContact O-N 3.23Å; G131-Q135 WeakPolarHBondContact O-CB 3.22Å; G131-Q135 PolarHBondContact O-N 3.47Å
132E95.8Very high95.7Very high8 Ų878.3 Ų78.34%0.03741%0.411CS..Hα-helixtrans-60-47.9174.9-68.5174.6-135.400111.8S128 W129 Q135 L136 P161 L162 W163S128-E132 WeakPolarHBondContact CB-OE1 3.45Å; S128-E132 WeakPolarHBondContact O-CG 3.36Å; S128-E132 PolarHBondContact O-N 2.98Å; S128-E132 PolarHBondContact OG-OE1 3.47Å; W129-E132 PolarHBondContact O-N 3.39Å; E132-Q135 PolarHBondContact O-N 2.9Å; E132-L136 WeakPolarHBondContact O-CG 3.43Å; E132-L136 PolarHBondContact O-N 3.4Å; E132-P161 HydrophobicContact CB-CB 4.1Å; E132-P161 HydrophobicContact CG-CB 4.44Å; E132-P161 WeakPolarHBondContact OE2-CA 3.4Å; E132-L162 PolarHBondContact OE2-N 3.22Å; E132-W163 PolarHBondContact OE1-NE1 2.79Å
133V96.4Very high95.5Very high42 Ų4284.3 Ų84.326%0.25544%0.443SS..Hα-helixtrans-64.3-42.4179.3171.70000111W129 L136 Q137W129-V133 HydrophobicContact CD2-CG2 4.02Å; W129-V133 HydrophobicContact CE3-CG2 4.45Å; W129-V133 HydrophobicContact CH2-CG2 4.21Å; W129-V133 HydrophobicContact CZ2-CG2 3.74Å; W129-V133 WeakPolarHBondContact O-CG2 3.39Å; W129-V133 PolarHBondContact O-N 3.23Å; V133-L136 PolarHBondContact O-N 3.32Å; V133-Q137 HydrophobicContact CG1-CG 4.48Å; V133-Q137 WeakPolarHBondContact O-CG 3.42Å; V133-Q137 PolarHBondContact O-N 3Å
134Q96.1Very high95.3Very high105 Ų10579.3 Ų79.349%0.49143%0.427SS..Hα-helixtrans-60.7-48.4175.8-179.5178-1.800111.1A130 G131 L136 Q137 E138A130-Q134 WeakPolarHBondContact O-CB 3.45Å; A130-Q134 PolarHBondContact O-N 2.97Å; G131-Q134 PolarHBondContact O-N 3.23Å; Q134-L136 VanDerWaalsContact C-N 3.28Å; Q134-L136 PolarHBondContact O-N 3.12Å; Q134-Q137 PolarHBondContact O-N 3.01Å; Q134-Q137 VanDerWaalsContact O-N 3.12Å; Q134-E138 HydrophobicContact CG-CG 4.39Å; Q134-E138 VanDerWaalsContact CG-OE1 3.29Å; Q134-E138 WeakPolarHBondContact CG-OE1 3.35Å; Q134-E138 PolarHBondContact NE2-OE1 2.98Å; Q134-E138 WeakPolarHBondContact O-CG 3.17Å; Q134-E138 PolarHBondContact O-N 2.95Å
135Q95Very high95.1Very high17 Ų1781 Ų818%0.07944%0.442CS..Hα-helixtrans-57.7-43177.5-172.9-170.4-14.600111.4G131 E132 E138 E139 P152G131-Q135 WeakPolarHBondContact O-CB 3.22Å; G131-Q135 PolarHBondContact O-N 3.47Å; E132-Q135 PolarHBondContact O-N 2.9Å; Q135-E138 PolarHBondContact O-N 3.36Å; Q135-E139 HydrophobicContact CG-CG 4.38Å; Q135-E139 WeakPolarHBondContact CG-OE1 3.35Å; Q135-E139 PolarHBondContact NE2-OE1 3.33Å; Q135-E139 WeakPolarHBondContact O-CB 3.43Å; Q135-E139 WeakPolarHBondContact O-CG 3.4Å; Q135-E139 PolarHBondContact O-N 2.93Å; Q135-P152 PolarHBondContact NE2-O 3.09Å
136L95.7Very high94.8Very high33 Ų3385 Ų8517%0.17346%0.462CS..Hα-helixtrans-63.3-42.2176.5-72.3175000112.1E132 V133 Q134 E138 T140 L150 P151 P161 L162E132-L136 WeakPolarHBondContact O-CG 3.43Å; E132-L136 PolarHBondContact O-N 3.4Å; V133-L136 PolarHBondContact O-N 3.32Å; Q134-L136 VanDerWaalsContact C-N 3.28Å; Q134-L136 PolarHBondContact O-N 3.12Å; L136-E138 VanDerWaalsContact C-N 3.34Å; L136-T140 WeakPolarHBondContact O-CB 3.32Å; L136-T140 PolarHBondContact O-N 2.6Å; L136-T140 PolarHBondContact O-OG1 2.8Å; L136-L150 HydrophobicContact CD2-CD2 4.25Å; L136-P151 HydrophobicContact CD2-CG 4.1Å; L136-P161 HydrophobicContact CD1-CB 3.86Å; L136-P161 HydrophobicContact CD2-CB 3.81Å; L136-P161 HydrophobicContact CD2-CG 3.91Å; L136-P161 HydrophobicContact CG-CB 3.68Å; L136-P161 HydrophobicContact CG-CG 4.24Å; L136-L162 HydrophobicContact CD1-CD1 4.4Å; L136-L162 HydrophobicContact CD1-CD2 4.46Å; L136-L162 HydrophobicContact CD1-CG 4.16Å
137Q95.3Very high94.6Very high145 Ų14582 Ų8268%0.67845%0.453SS*.Hα-helixtrans-65.1-37.6177.6-72.9173.4-6.600112.3V133 Q134V133-Q137 HydrophobicContact CG1-CG 4.48Å; V133-Q137 WeakPolarHBondContact O-CG 3.42Å; V133-Q137 PolarHBondContact O-N 3Å; Q134-Q137 PolarHBondContact O-N 3.01Å; Q134-Q137 VanDerWaalsContact O-N 3.12Å
138E94.9Very high94.4Very high131 Ų13184.1 Ų84.161%0.61246%0.463SS*.Hα-helixtrans-71.9-42178.4-71.2174.5-175.400112.6Q134 Q135 L136Q134-E138 HydrophobicContact CG-CG 4.39Å; Q134-E138 VanDerWaalsContact CG-OE1 3.29Å; Q134-E138 WeakPolarHBondContact CG-OE1 3.35Å; Q134-E138 PolarHBondContact NE2-OE1 2.98Å; Q134-E138 WeakPolarHBondContact O-CG 3.17Å; Q134-E138 PolarHBondContact O-N 2.95Å; Q135-E138 PolarHBondContact O-N 3.36Å; L136-E138 VanDerWaalsContact C-N 3.34Å
139E94.1Very high94.3Very high72 Ų7285.8 Ų85.834%0.33648%0.479SS..Hα-helixtrans-85.6-18.9-176.9-67-167-14700113.3Q135 P151 R154Q135-E139 HydrophobicContact CG-CG 4.38Å; Q135-E139 WeakPolarHBondContact CG-OE1 3.35Å; Q135-E139 PolarHBondContact NE2-OE1 3.33Å; Q135-E139 WeakPolarHBondContact O-CB 3.43Å; Q135-E139 WeakPolarHBondContact O-CG 3.4Å; Q135-E139 PolarHBondContact O-N 2.93Å; E139-P151 WeakPolarHBondContact OE2-CB 3.37Å; E139-R154 WeakPolarHBondContact OE1-CG 3.41Å; E139-R154 IonicContact OE1-CZ 3.87Å; E139-R154 IonicContact OE1-NE 3.86Å; E139-R154 PolarHBondContact OE1-NE 3.38Å; E139-R154 IonicContact OE1-NH2 2.78Å; E139-R154 IonicContact OE2-CZ 3.93Å; E139-R154 IonicContact OE2-NE 2.77Å; E139-R154 IonicContact OE2-NH2 2.82Å; E139-R154 PolarHBondContact OE2-NH2 3.46Å
140T94.6Very high94.1Very high53 Ų5383 Ų8333%0.32547%0.473SS..SBendtrans-78.4127.1-180-610000110.7L136 P145L136-T140 WeakPolarHBondContact O-CB 3.32Å; L136-T140 PolarHBondContact O-N 2.6Å; L136-T140 PolarHBondContact O-OG1 2.8Å; T140-P145 HydrophobicContact CG2-CB 4.36Å
141P94.1Very high94.1Very high62 Ų6280.8 Ų80.840%0.40345%0.453SS..  trans-58.6151.7174.4-22.633000112.2I143 G144P141-I143 PolarHBondContact O-N 2.81Å; P141-G144 WeakPolarHBondContact O-CA 3.29Å; P141-G144 PolarHBondContact O-N 3.06Å
142A91.6Very high94.1Very high115 Ų11582.8 Ų82.895%0.9546%0.46SS*.THydrogen-bonded Turntrans-58.2-25.7-179.300000114.8G144A142-G144 PolarHBondContact O-N 3.46Å
143I93.1Very high94.1Very high172 Ų17284 Ų8488%0.88247%0.471SS*.THydrogen-bonded Turntrans-79.8-6.8177.3-58.7170.5000111.3P141P141-I143 PolarHBondContact O-N 2.81Å
144G92.8Very high93.9Very high21 Ų2189.3 Ų89.322%0.21649%0.486CS..  trans101.8176.3-173.600000113.3P141 A142 K146P141-G144 WeakPolarHBondContact O-CA 3.29Å; P141-G144 PolarHBondContact O-N 3.06Å; A142-G144 PolarHBondContact O-N 3.46Å; G144-K146 PolarHBondContact O-N 3.12Å
145P93.8Very high93.7Very high102 Ų10291.4 Ų91.466%0.66249%0.494SS*.  trans-69.2131.2-18028.8-33.8000110.7T140T140-P145 HydrophobicContact CG2-CB 4.36Å
146K90.9Very high93.5Very high183 Ų18398.8 Ų98.880%0.79653%0.534SS*.SBendtrans-80.6-19.5178.1-63.6-175.7-174.7-1790113.4G144G144-K146 PolarHBondContact O-N 3.12Å
147T91.9Very high93.1Very high78 Ų78100.7 Ų100.748%0.47956%0.561SS.*SBendtrans-146.4161.9-177.768.50000110A149T147-A149 PolarHBondContact O-N 2.93Å; T147-A149 PolarHBondContact OG1-N 3.46Å
148E92.3Very high93Very high172 Ų17297.3 Ų97.380%0.80455%0.548SS*.SBendtrans-75.10.6175.4-61174177.800114.2L150E148-L150 PolarHBondContact O-N 3.2Å
149A93.3Very high93Very high52 Ų5293.5 Ų93.543%0.4353%0.531SS..PPolyproline II helixtrans-73.2121.1-179.200000111T147T147-A149 PolarHBondContact O-N 2.93Å; T147-A149 PolarHBondContact OG1-N 3.46Å
150L93.8Very high93.2Very high75 Ų7592.9 Ų92.939%0.39353%0.534SS..PPolyproline II helixtrans-82.2142.6172.7-62173.2000110.7L136 E148 L162 Y166L136-L150 HydrophobicContact CD2-CD2 4.25Å; E148-L150 PolarHBondContact O-N 3.2Å; L150-L162 HydrophobicContact CD1-CB 3.98Å; L150-L162 HydrophobicContact CD1-CD1 4.11Å; L150-L162 HydrophobicContact CD1-CG 4.45Å; L150-L162 HydrophobicContact CD2-CD1 3.94Å; L150-Y166 HydrophobicContact CD1-CE2 4.39Å
151P94.8Very high93.3Very high24 Ų2490.6 Ų90.616%0.15652%0.52CS..PPolyproline II helixtrans-71.5152.6175.430.3-33.4000111.2L136 E139 P161L136-P151 HydrophobicContact CD2-CG 4.1Å; E139-P151 WeakPolarHBondContact OE2-CB 3.37Å; P151-P161 HydrophobicContact CG-CG 3.92Å; P151-P161 VanDerWaalsContact O-CD 3.29Å; P151-P161 WeakPolarHBondContact O-CD 3.08Å; P151-P161 WeakPolarHBondContact O-CG 3.33Å
152P95.9Very high93.4Very high76 Ų7690.9 Ų90.949%0.49452%0.518SS..PPolyproline II helixtrans-73.9164.7170.633.3-35.5000111.1Q135Q135-P152 PolarHBondContact NE2-O 3.09Å
153A95.8Very high93.7Very high34 Ų3486.3 Ų86.328%0.28148%0.476SS..PPolyproline II helixtrans-58.9138168.100000110.8D158 P160A153-D158 HydrophobicContact CB-CB 4.22Å; A153-D158 WeakPolarHBondContact CB-O 3.21Å; A153-P160 HydrophobicContact CB-CG 4.32Å
154R91.9Very high93.9Very high153 Ų15379.1 Ų79.158%0.57744%0.438SS*.  trans-101.3-29.2-174.9-59.4-59.1-174.5178.2-0.6114.3E139E139-R154 WeakPolarHBondContact OE1-CG 3.41Å; E139-R154 IonicContact OE1-CZ 3.87Å; E139-R154 IonicContact OE1-NE 3.86Å; E139-R154 PolarHBondContact OE1-NE 3.38Å; E139-R154 IonicContact OE1-NH2 2.78Å; E139-R154 IonicContact OE2-CZ 3.93Å; E139-R154 IonicContact OE2-NE 2.77Å; E139-R154 IonicContact OE2-NH2 2.82Å; E139-R154 PolarHBondContact OE2-NH2 3.46Å
155K92.3Very high94Very high150 Ų15085.1 Ų85.165%0.65246%0.46SS*.SBendtrans-110.9154.6-176.8-52.4174.3-172.4163.10109.9D158K155-D158 WeakPolarHBondContact CB-OD2 3.37Å; K155-D158 PolarHBondContact O-N 3.4Å
156D90.2Very high94.1Very high172 Ų17287 Ų8792%0.9246%0.455SS*.THydrogen-bonded Turntrans-67.7133.4174.2-166.121.7000109.9D158D156-D158 VanDerWaalsContact C-N 3.34Å
157G88.6Confident94.4Very high72 Ų7282.2 Ų82.274%0.74244%0.441SS*.THydrogen-bonded Turntrans86.2-14.4-173.200000116.2
158D92.6Very high94.6Very high74 Ų7480.1 Ų80.140%0.39643%0.428SS..PPolyproline II helixtrans-77.8147.9174.1-74.4-13.7000111.2A153 K155 D156A153-D158 HydrophobicContact CB-CB 4.22Å; A153-D158 WeakPolarHBondContact CB-O 3.21Å; K155-D158 WeakPolarHBondContact CB-OD2 3.37Å; K155-D158 PolarHBondContact O-N 3.4Å; D156-D158 VanDerWaalsContact C-N 3.34Å
159L95.4Very high94.8Very high51 Ų5179.7 Ų79.727%0.26742%0.419SS..PPolyproline II helixtrans-98.4148.5173.4-67.9173.3000110.9L124 W163L124-L159 HydrophobicContact CD1-CD1 3.85Å; L124-L159 HydrophobicContact CD2-CD1 3.93Å; L124-L159 HydrophobicContact CG-CD1 3.69Å; L159-W163 HydrophobicContact CB-CG 4.48Å; L159-W163 HydrophobicContact CD1-CD2 4.5Å; L159-W163 HydrophobicContact CD1-CH2 4.47Å; L159-W163 HydrophobicContact CD1-CZ2 3.64Å
160P96.9Very high95Very high60 Ų6079.6 Ų79.639%0.3941%0.414SS..PPolyproline II helixtrans-61.2141.5178.6-22.233.1000111.5A153 W163A153-P160 HydrophobicContact CB-CG 4.32Å; P160-W163 VanDerWaalsContact O-CB 3.26Å; P160-W163 WeakPolarHBondContact O-CB 3.43Å; P160-W163 PolarHBondContact O-N 3.09Å
161P96.8Very high95.1Very high4 Ų485.7 Ų85.73%0.02643%0.432CS..THydrogen-bonded Turntrans-60.1140.1-179.719.6-29.3000113.2E132 L136 P151 W163E132-P161 HydrophobicContact CB-CB 4.1Å; E132-P161 HydrophobicContact CG-CB 4.44Å; E132-P161 WeakPolarHBondContact OE2-CA 3.4Å; L136-P161 HydrophobicContact CD1-CB 3.86Å; L136-P161 HydrophobicContact CD2-CB 3.81Å; L136-P161 HydrophobicContact CD2-CG 3.91Å; L136-P161 HydrophobicContact CG-CB 3.68Å; L136-P161 HydrophobicContact CG-CG 4.24Å; P151-P161 HydrophobicContact CG-CG 3.92Å; P151-P161 VanDerWaalsContact O-CD 3.29Å; P151-P161 WeakPolarHBondContact O-CD 3.08Å; P151-P161 WeakPolarHBondContact O-CG 3.33Å; P161-W163 PolarHBondContact O-N 2.78Å
162L96.4Very high95.1Very high69 Ų6991.3 Ų91.336%0.36146%0.456SS..THydrogen-bonded Turntrans59.625.4179.7-50.8178.5000114.1W129 E132 L136 L150 W164 Y166W129-L162 HydrophobicContact CH2-CD2 4.13Å; W129-L162 HydrophobicContact CZ3-CD2 3.86Å; E132-L162 PolarHBondContact OE2-N 3.22Å; L136-L162 HydrophobicContact CD1-CD1 4.4Å; L136-L162 HydrophobicContact CD1-CD2 4.46Å; L136-L162 HydrophobicContact CD1-CG 4.16Å; L150-L162 HydrophobicContact CD1-CB 3.98Å; L150-L162 HydrophobicContact CD1-CD1 4.11Å; L150-L162 HydrophobicContact CD1-CG 4.45Å; L150-L162 HydrophobicContact CD2-CD1 3.94Å; L162-W164 VanDerWaalsContact C-N 3.29Å; L162-W164 PolarHBondContact O-N 3.44Å; L162-Y166 WeakPolarHBondContact O-CD2 3.33Å
163W97.3Very high95Very high19 Ų1994.6 Ų94.67%0.07246%0.459CS..  trans-63.7-29.3-176.166.2-82.5000114.4W121 R125 S128 E132 L159 P160 P161 Q165 Y166 V167W121-W163 AromaticContact CE3-CH2 3.84Å; W121-W163 HydrophobicContact CE3-CH2 3.84Å; W121-W163 HydrophobicContact CE3-CZ3 4.08Å; W121-W163 AromaticContact CZ3-CH2 3.9Å; W121-W163 HydrophobicContact CZ3-CH2 3.9Å; W121-W163 AromaticContact CZ3-CZ3 3.79Å; W121-W163 HydrophobicContact CZ3-CZ3 3.79Å; R125-W163 HydrophobicContact CB-CZ2 4.35Å; S128-W163 PolarHBondContact OG-NE1 3.22Å; E132-W163 PolarHBondContact OE1-NE1 2.79Å; L159-W163 HydrophobicContact CB-CG 4.48Å; L159-W163 HydrophobicContact CD1-CD2 4.5Å; L159-W163 HydrophobicContact CD1-CH2 4.47Å; L159-W163 HydrophobicContact CD1-CZ2 3.64Å; P160-W163 VanDerWaalsContact O-CB 3.26Å; P160-W163 WeakPolarHBondContact O-CB 3.43Å; P160-W163 PolarHBondContact O-N 3.09Å; P161-W163 PolarHBondContact O-N 2.78Å; W163-Q165 PolarHBondContact O-N 2.96Å; W163-Y166 PolarHBondContact O-N 3.1Å; W163-Y166 VanDerWaalsContact O-N 3.09Å; W163-V167 HydrophobicContact CE3-CB 3.64Å; W163-V167 HydrophobicContact CE3-CG1 4.09Å; W163-V167 HydrophobicContact CE3-CG2 3.6Å; W163-V167 HydrophobicContact CZ3-CB 3.87Å; W163-V167 HydrophobicContact CZ3-CG1 3.85Å; W163-V167 HydrophobicContact CZ3-CG2 4.22Å; W163-V167 PolarHBondContact O-N 3.46Å; W163-V167 VanDerWaalsContact O-N 3.08Å
164W97.5Very high94.8Very high20 Ų2095.7 Ų95.78%0.07646%0.462CS..Hα-helixtrans-52.3-54.5-166.9-176.8-99.8000112.8E97 W121 R125 L162 Y166 V167 T168E97-W164 WeakPolarHBondContact OE1-CZ2 3.23Å; E97-W164 PolarHBondContact OE1-NE1 3.08Å; W121-W164 HydrophobicContact CB-CH2 4.23Å; W121-W164 HydrophobicContact CB-CZ3 4.3Å; W121-W164 HydrophobicContact CE3-CZ3 4.48Å; R125-W164 HydrophobicContact CB-CE3 3.79Å; R125-W164 HydrophobicContact CB-CZ3 3.82Å; R125-W164 VanDerWaalsContact CD-CD2 3.41Å; R125-W164 HydrophobicContact CG-CB 4.5Å; R125-W164 HydrophobicContact CG-CD2 4.02Å; R125-W164 HydrophobicContact CG-CE3 3.73Å; R125-W164 HydrophobicContact CG-CG 4.37Å; R125-W164 HydrophobicContact CG-CZ3 4.23Å; R125-W164 VanDerWaalsContact CZ-CG 3.44Å; R125-W164 VanDerWaalsContact NH1-CD1 3.29Å; R125-W164 VanDerWaalsContact NH1-CE2 3.31Å; L162-W164 VanDerWaalsContact C-N 3.29Å; L162-W164 PolarHBondContact O-N 3.44Å; W164-Y166 PolarHBondContact O-N 3.09Å; W164-V167 PolarHBondContact O-N 2.9Å; W164-T168 HydrophobicContact CD2-CG2 3.69Å; W164-T168 HydrophobicContact CE3-CG2 3.83Å; W164-T168 HydrophobicContact CG-CG2 4.38Å; W164-T168 HydrophobicContact CH2-CG2 3.91Å; W164-T168 HydrophobicContact CZ2-CG2 3.75Å; W164-T168 HydrophobicContact CZ3-CG2 3.94Å; W164-T168 PolarHBondContact NE1-OG1 3.08Å; W164-T168 PolarHBondContact O-N 2.78Å; W164-T168 PolarHBondContact O-OG1 3.19Å
165Q94.8Very high93.9Very high148 Ų14895 Ų9569%0.69248%0.475SS*.Hα-helixtrans-62.9-30.4-175.2-64.5177-0.800112.8W163 R169W163-Q165 PolarHBondContact O-N 2.96Å; Q165-R169 WeakPolarHBondContact O-CB 3.41Å; Q165-R169 PolarHBondContact O-N 3.24Å
166Y95.9Very high94Very high141 Ų14192.3 Ų92.355%0.55347%0.467SS*.Hα-helixtrans-77-37.5178.5-63.5-77.4000112.2L150 L162 W163 W164 R169L150-Y166 HydrophobicContact CD1-CE2 4.39Å; L162-Y166 WeakPolarHBondContact O-CD2 3.33Å; W163-Y166 PolarHBondContact O-N 3.1Å; W163-Y166 VanDerWaalsContact O-N 3.09Å; W164-Y166 PolarHBondContact O-N 3.09Å; Y166-R169 WeakPolarHBondContact O-CG 3.41Å; Y166-R169 PolarHBondContact O-NH1 2.94Å
167V97.3Very high94.2Very high83 Ų8388.1 Ų88.150%0.50344%0.443SS..Hα-helixtrans-81.2-38.5-177.9174.20000111.7W121 W163 W164W121-V167 HydrophobicContact CZ3-CG1 4.19Å; W163-V167 HydrophobicContact CE3-CB 3.64Å; W163-V167 HydrophobicContact CE3-CG1 4.09Å; W163-V167 HydrophobicContact CE3-CG2 3.6Å; W163-V167 HydrophobicContact CZ3-CB 3.87Å; W163-V167 HydrophobicContact CZ3-CG1 3.85Å; W163-V167 HydrophobicContact CZ3-CG2 4.22Å; W163-V167 PolarHBondContact O-N 3.46Å; W163-V167 VanDerWaalsContact O-N 3.08Å; W164-V167 PolarHBondContact O-N 2.9Å
168T96.9Very high94.5Very high34 Ų3489 Ų8921%0.20943%0.426CS..SBendtrans-96.912.7-178.1680000113.5W164W164-T168 HydrophobicContact CD2-CG2 3.69Å; W164-T168 HydrophobicContact CE3-CG2 3.83Å; W164-T168 HydrophobicContact CG-CG2 4.38Å; W164-T168 HydrophobicContact CH2-CG2 3.91Å; W164-T168 HydrophobicContact CZ2-CG2 3.75Å; W164-T168 HydrophobicContact CZ3-CG2 3.94Å; W164-T168 PolarHBondContact NE1-OG1 3.08Å; W164-T168 PolarHBondContact O-N 2.78Å; W164-T168 PolarHBondContact O-OG1 3.19Å
169R97Very high94.6Very high163 Ų16389.9 Ų89.962%0.61543%0.428SS*.PPolyproline II helixtrans-53.9141.1173.871.5-178.1-173.6-97.25.7110.6Q165 Y166Q165-R169 WeakPolarHBondContact O-CB 3.41Å; Q165-R169 PolarHBondContact O-N 3.24Å; Y166-R169 WeakPolarHBondContact O-CG 3.41Å; Y166-R169 PolarHBondContact O-NH1 2.94Å
170P97.1Very high94.6Very high49 Ų4992.3 Ų92.332%0.31844%0.438SS..PPolyproline II helixtrans-54.2148172.5-25.935.1000111.5K94K94-P170 HydrophobicContact CB-CB 3.6Å; K94-P170 HydrophobicContact CB-CG 4.02Å; K94-P170 HydrophobicContact CD-CB 4.36Å; K94-P170 HydrophobicContact CG-CB 3.94Å
171R96.4Very high94.4Very high204 Ų20494.5 Ų94.577%0.7744%0.441SS*.PPolyproline II helixtrans-62.6147.8173.7-64.6-177.4-178.8-171.80.5109.7R173 P174R171-R173 PolarHBondContact O-N 2.8Å; R171-P174 WeakPolarHBondContact O-CD 3.24Å
172E93.3Very high94.3Very high142 Ų142100.9 Ų100.966%0.66447%0.471SS*.SBendtrans-61.4-33.3179.6-69.9178.6-177.900112.7K94K94-E172 WeakPolarHBondContact CE-O 3.46Å
173R94.3Very high94.1Very high145 Ų145103.4 Ų103.455%0.54748%0.479SS..  trans-12885.8178-60.9-178.3-177.5-172.6-1.3109D80 Y90 R171 V175D80-R173 IonicContact OD2-CZ 3.34Å; D80-R173 IonicContact OD2-NH2 2.8Å; D80-R173 PolarHBondContact OD2-NH2 3.26Å; Y90-R173 HydrophobicContact CD2-CG 4.24Å; Y90-R173 HydrophobicContact CE2-CG 4.35Å; R171-R173 PolarHBondContact O-N 2.8Å; R173-V175 PolarHBondContact O-N 3.16Å
174P90.8Very high93.8Very high56 Ų56110.4 Ų110.436%0.36451%0.513SS..  trans-86.732.817936.8-34.7000112Y93 K94 R171Y93-P174 WeakPolarHBondContact O-CG 3.41Å; K94-P174 HydrophobicContact CG-CG 4.15Å; R171-P174 WeakPolarHBondContact O-CD 3.24Å
175V74.6Confident93.5Very high140 Ų140118.6 Ų118.685%0.84855%0.553SS**  trans-116.70178.6-68.40000110.9Y90 Y93 R173Y90-V175 HydrophobicContact CD1-CG1 4.16Å; Y90-V175 HydrophobicContact CD1-CG2 3.94Å; Y90-V175 HydrophobicContact CE1-CG1 4.36Å; Y90-V175 HydrophobicContact CE1-CG2 3.64Å; Y93-V175 HydrophobicContact CD2-CG1 4.01Å; Y93-V175 HydrophobicContact CE2-CG1 4.36Å; Y93-V175 HydrophobicContact CG-CG1 4.29Å; R173-V175 PolarHBondContact O-N 3.16Å

Retrieved 175 of 175 residues in 66.9 ms (Link to these results)

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