A0A087YCR3_POEFO Loading...

Prostaglandin E synthase

Terminal enzyme of the cyclooxygenase (COX)-2-mediated prostaglandin E2 (PGE2) biosynthetic pathway. Catalyzes the glutathione-dependent oxidoreduction of prostaglandin endoperoxide H2 (PGH2) to prostaglandin E2 (PGE2) in response to inflammatory stimuli. Plays a key role in inflammation response, fever and pain. Also catalyzes the oxidoreduction of endocannabinoids into prostaglandin glycerol esters and PGG2 into 15-hydroperoxy-PGE2. In addition, displays low glutathione transferase and glutathione-dependent peroxidase activities, toward 1-chloro-2,4-dinitrobenzene and 5-hydroperoxyicosatetraenoic acid (5-HPETE), respectively.

AlphaFold DB , UniProt , Accession A0A087YCR3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 152 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
1S62.3Low76Confident152 Ų15296.1 Ų96.1100%1.06355%0.545SS*.  0140.5041.20000108.6P3S1-P3 VanDerWaalsContact O-CD 3.29Å; S1-P3 WeakPolarHBondContact O-CD 3.48Å
2N77.8Confident77.8Confident103 Ų10389.2 Ų89.255%0.55151%0.506SS*.  trans-69.1115.8178.1179.1-8.5000109.5A4 A5 A6N2-A4 VanDerWaalsContact C-N 3.3Å; N2-A4 PolarHBondContact O-N 3.09Å; N2-A4 WeakPolarHBondContact OD1-CB 3.29Å; N2-A4 PolarHBondContact OD1-N 3.2Å; N2-A4 VanDerWaalsContact OD1-N 3.09Å; N2-A5 HydrophobicContact CB-CB 4.02Å; N2-A5 WeakPolarHBondContact O-CB 3.48Å; N2-A5 PolarHBondContact O-N 3.36Å; N2-A5 VanDerWaalsContact O-N 3.16Å; N2-A6 PolarHBondContact O-N 3.16Å
3P69.5Low79.2Confident98 Ų9885 Ų8564%0.63648%0.479SS*.Hα-helixtrans-63.2-33.2-176.122.9-31.5000112.9S1 A5 A6 M7S1-P3 VanDerWaalsContact O-CD 3.29Å; S1-P3 WeakPolarHBondContact O-CD 3.48Å; P3-A5 VanDerWaalsContact C-N 3.34Å; P3-A5 PolarHBondContact O-N 3.49Å; P3-A6 WeakPolarHBondContact O-CB 3.39Å; P3-A6 PolarHBondContact O-N 3.23Å; P3-A6 VanDerWaalsContact O-N 3.11Å; P3-M7 PolarHBondContact O-N 3.11Å; P3-M7 VanDerWaalsContact O-N 3.11Å
4A68.5Low80.4Confident56 Ų5681.8 Ų81.846%0.46347%0.465SS..Hα-helixtrans-64.5-40.2175.400000111.8N2 A6 M7 I8N2-A4 VanDerWaalsContact C-N 3.3Å; N2-A4 PolarHBondContact O-N 3.09Å; N2-A4 WeakPolarHBondContact OD1-CB 3.29Å; N2-A4 PolarHBondContact OD1-N 3.2Å; N2-A4 VanDerWaalsContact OD1-N 3.09Å; A4-A6 PolarHBondContact O-N 3.11Å; A4-M7 PolarHBondContact O-N 3.46Å; A4-I8 PolarHBondContact O-N 3.22Å
5A70.6Confident81.6Confident34 Ų3477.5 Ų77.528%0.28144%0.441SS..Hα-helixtrans-67-25.8175.300000112.2N2 P3 R9N2-A5 HydrophobicContact CB-CB 4.02Å; N2-A5 WeakPolarHBondContact O-CB 3.48Å; N2-A5 PolarHBondContact O-N 3.36Å; N2-A5 VanDerWaalsContact O-N 3.16Å; P3-A5 VanDerWaalsContact C-N 3.34Å; P3-A5 PolarHBondContact O-N 3.49Å; A5-R9 WeakPolarHBondContact O-CG 3.4Å; A5-R9 VanDerWaalsContact O-CZ 3.27Å; A5-R9 PolarHBondContact O-N 3.27Å; A5-R9 PolarHBondContact O-NH1 3.25Å
6A70.8Confident82.6Confident44 Ų4473.4 Ų73.436%0.36442%0.417SS..Hα-helixtrans-73.6-38173.900000112.2N2 P3 A4 R9 N10N2-A6 PolarHBondContact O-N 3.16Å; P3-A6 WeakPolarHBondContact O-CB 3.39Å; P3-A6 PolarHBondContact O-N 3.23Å; P3-A6 VanDerWaalsContact O-N 3.11Å; A4-A6 PolarHBondContact O-N 3.11Å; A6-R9 PolarHBondContact O-N 3.35Å; A6-N10 PolarHBondContact O-N 3.42Å
7M71.8Confident83.5Confident93 Ų9372.4 Ų72.446%0.45841%0.413SS..Hα-helixtrans-64.5-41.5176.7-75.1-17562.100112.9P3 A4 R9 N10 F13P3-M7 PolarHBondContact O-N 3.11Å; P3-M7 VanDerWaalsContact O-N 3.11Å; A4-M7 PolarHBondContact O-N 3.46Å; M7-R9 PolarHBondContact O-N 2.65Å; M7-N10 WeakPolarHBondContact O-CB 3.36Å; M7-N10 PolarHBondContact O-N 3.32Å; M7-F13 HydrophobicContact CB-CD1 4.36Å; M7-F13 HydrophobicContact CB-CE1 4.41Å; M7-F13 HydrophobicContact CE-CD1 4.13Å; M7-F13 HydrophobicContact CE-CE1 3.52Å; M7-F13 HydrophobicContact CE-CE2 4.05Å; M7-F13 HydrophobicContact CE-CZ 3.47Å; M7-F13 VanDerWaalsContact CE-CZ 3.47Å
8I77.5Confident84.3Confident122 Ų12275.1 Ų75.163%0.62642%0.419SS*.Hα-helixtrans-67.3-24.3177.2-63.6173.5000111.7A4 N10 S14A4-I8 PolarHBondContact O-N 3.22Å; I8-N10 VanDerWaalsContact C-N 3.29Å; I8-S14 PolarHBondContact O-OG 3.19Å
9R83.3Confident85.1Confident163 Ų16372.7 Ų72.762%0.61540%0.403SS*.THydrogen-bonded Turntrans-76.5-13.9173-73.1-172.6-61.2-97.31.7113.6A5 A6 M7 E11A5-R9 WeakPolarHBondContact O-CG 3.4Å; A5-R9 VanDerWaalsContact O-CZ 3.27Å; A5-R9 PolarHBondContact O-N 3.27Å; A5-R9 PolarHBondContact O-NH1 3.25Å; A6-R9 PolarHBondContact O-N 3.35Å; M7-R9 PolarHBondContact O-N 2.65Å; R9-E11 PolarHBondContact O-N 3.48Å
10N89.8Confident85.8Confident58 Ų5869.5 Ų69.531%0.3139%0.387SS..  trans-72.7108.6170.6178.1-32.8000108.5A6 M7 I8 V12 F13 S14A6-N10 PolarHBondContact O-N 3.42Å; M7-N10 WeakPolarHBondContact O-CB 3.36Å; M7-N10 PolarHBondContact O-N 3.32Å; I8-N10 VanDerWaalsContact C-N 3.29Å; N10-V12 VanDerWaalsContact C-N 3.27Å; N10-V12 PolarHBondContact O-N 3.06Å; N10-V12 WeakPolarHBondContact OD1-CA 3.31Å; N10-V12 WeakPolarHBondContact OD1-CB 3.37Å; N10-V12 PolarHBondContact OD1-N 3.18Å; N10-F13 HydrophobicContact CB-CB 3.94Å; N10-F13 PolarHBondContact O-N 2.88Å; N10-F13 PolarHBondContact OD1-N 2.84Å; N10-S14 WeakPolarHBondContact O-CB 3.43Å; N10-S14 PolarHBondContact O-N 3.21Å; N10-S14 PolarHBondContact O-OG 2.94Å
11E94.6Very high86.4Confident134 Ų13469.8 Ų69.863%0.62639%0.39SS*.Hα-helixtrans-60.7-35.2-175.3-60.3-174.6163.300112.9R9 C15 L96R9-E11 PolarHBondContact O-N 3.48Å; E11-C15 WeakPolarHBondContact O-CB 3.4Å; E11-C15 PolarHBondContact O-N 3.04Å; E11-L96 HydrophobicContact CB-CD1 4.21Å; E11-L96 HydrophobicContact CB-CD2 4.1Å; E11-L96 WeakPolarHBondContact OE2-CD2 3.37Å
12V96.7Very high88.1Confident13 Ų1365.2 Ų65.28%0.07935%0.354CS..Hα-helixtrans-66.9-49.8176.8178.60000110N10 S14 C15 F16 P94 L96 A99 F103N10-V12 VanDerWaalsContact C-N 3.27Å; N10-V12 PolarHBondContact O-N 3.06Å; N10-V12 WeakPolarHBondContact OD1-CA 3.31Å; N10-V12 WeakPolarHBondContact OD1-CB 3.37Å; N10-V12 PolarHBondContact OD1-N 3.18Å; V12-S14 PolarHBondContact O-N 2.98Å; V12-C15 WeakPolarHBondContact O-CB 3.21Å; V12-C15 PolarHBondContact O-N 2.85Å; V12-F16 PolarHBondContact O-N 3.48Å; V12-P94 HydrophobicContact CG1-CG 3.93Å; V12-L96 HydrophobicContact CG2-CB 4.35Å; V12-L96 HydrophobicContact CG2-CD1 4.24Å; V12-A99 HydrophobicContact CG1-CB 3.61Å; V12-F103 HydrophobicContact CG1-CE2 4.39Å
13F96.3Very high89.1Confident35 Ų3560.3 Ų60.315%0.15433%0.327CS..Hα-helixtrans-63.5-42.1-179.9-175-104.8000111.6M7 N10 C15 F16 V17M7-F13 HydrophobicContact CB-CD1 4.36Å; M7-F13 HydrophobicContact CB-CE1 4.41Å; M7-F13 HydrophobicContact CE-CD1 4.13Å; M7-F13 HydrophobicContact CE-CE1 3.52Å; M7-F13 HydrophobicContact CE-CE2 4.05Å; M7-F13 HydrophobicContact CE-CZ 3.47Å; M7-F13 VanDerWaalsContact CE-CZ 3.47Å; N10-F13 HydrophobicContact CB-CB 3.94Å; N10-F13 PolarHBondContact O-N 2.88Å; N10-F13 PolarHBondContact OD1-N 2.84Å; F13-C15 VanDerWaalsContact C-N 3.33Å; F13-C15 PolarHBondContact O-N 3.22Å; F13-F16 HydrophobicContact CD2-CD1 4.12Å; F13-F16 HydrophobicContact CE2-CD1 4.03Å; F13-F16 HydrophobicContact CE2-CE1 4.32Å; F13-F16 WeakPolarHBondContact O-CB 3.49Å; F13-F16 PolarHBondContact O-N 3.46Å; F13-V17 HydrophobicContact CD1-CG2 4.02Å; F13-V17 HydrophobicContact CE1-CG2 3.62Å; F13-V17 HydrophobicContact CE2-CG2 4.34Å; F13-V17 HydrophobicContact CZ-CG2 3.79Å; F13-V17 VanDerWaalsContact O-CG2 3.31Å; F13-V17 WeakPolarHBondContact O-CG2 3.49Å; F13-V17 PolarHBondContact O-N 2.98Å
14S96.4Very high90.5Very high40 Ų4057.7 Ų57.728%0.2831%0.309SS..Hα-helixtrans-64.2-37.6174.5-75.80000112.4I8 N10 V12 V17 F18I8-S14 PolarHBondContact O-OG 3.19Å; N10-S14 WeakPolarHBondContact O-CB 3.43Å; N10-S14 PolarHBondContact O-N 3.21Å; N10-S14 PolarHBondContact O-OG 2.94Å; V12-S14 PolarHBondContact O-N 2.98Å; S14-V17 PolarHBondContact O-N 3.27Å; S14-F18 PolarHBondContact O-N 3.3Å
15C97.7Very high92Very high17 Ų1759.2 Ų59.212%0.11531%0.309CS..Hα-helixtrans-63.2-43.6172.5-171.30000111.6E11 V12 F13 F18 Y19 L96E11-C15 WeakPolarHBondContact O-CB 3.4Å; E11-C15 PolarHBondContact O-N 3.04Å; V12-C15 WeakPolarHBondContact O-CB 3.21Å; V12-C15 PolarHBondContact O-N 2.85Å; F13-C15 VanDerWaalsContact C-N 3.33Å; F13-C15 PolarHBondContact O-N 3.22Å; C15-F18 PolarHBondContact O-N 3.35Å; C15-Y19 VanDerWaalsContact O-CD2 3.23Å; C15-Y19 WeakPolarHBondContact O-CD2 3.37Å; C15-Y19 PolarHBondContact O-N 3.48Å; C15-L96 HydrophobicContact CB-CD1 4.03Å
16F98.3Very high93.3Very high12 Ų1258.8 Ų58.85%0.05330%0.301CS..Hα-helixtrans-58.2-52.2173162.9-108.6000111.6V12 F13 F18 Y19 A20 F82 L83 A87 S90 F103V12-F16 PolarHBondContact O-N 3.48Å; F13-F16 HydrophobicContact CD2-CD1 4.12Å; F13-F16 HydrophobicContact CE2-CD1 4.03Å; F13-F16 HydrophobicContact CE2-CE1 4.32Å; F13-F16 WeakPolarHBondContact O-CB 3.49Å; F13-F16 PolarHBondContact O-N 3.46Å; F16-F18 VanDerWaalsContact C-N 3.25Å; F16-F18 PolarHBondContact O-N 2.9Å; F16-Y19 PolarHBondContact O-N 3.38Å; F16-Y19 VanDerWaalsContact O-N 3.15Å; F16-A20 HydrophobicContact CD2-CB 4.47Å; F16-A20 HydrophobicContact CE1-CB 4.38Å; F16-A20 HydrophobicContact CE2-CB 4.02Å; F16-A20 HydrophobicContact CZ-CB 3.96Å; F16-A20 VanDerWaalsContact O-CB 3.28Å; F16-A20 WeakPolarHBondContact O-CB 3.39Å; F16-A20 PolarHBondContact O-N 3.43Å; F16-F82 HydrophobicContact CD2-CE1 4.42Å; F16-F82 HydrophobicContact CE2-CE1 4.08Å; F16-L83 HydrophobicContact CZ-CD2 4.29Å; F16-L83 VanDerWaalsContact CZ-O 3.24Å; F16-L83 WeakPolarHBondContact CZ-O 3.43Å; F16-A87 HydrophobicContact CD1-CB 4.49Å; F16-A87 HydrophobicContact CE1-CB 3.71Å; F16-A87 HydrophobicContact CZ-CB 3.94Å; F16-S90 WeakPolarHBondContact CB-OG 3.3Å; F16-F103 HydrophobicContact CB-CD2 4.06Å; F16-F103 HydrophobicContact CB-CE1 4.3Å; F16-F103 HydrophobicContact CB-CE2 3.49Å; F16-F103 VanDerWaalsContact CB-CE2 3.49Å; F16-F103 HydrophobicContact CB-CZ 3.63Å; F16-F103 HydrophobicContact CD2-CD1 4.36Å; F16-F103 HydrophobicContact CD2-CE1 4.04Å; F16-F103 HydrophobicContact CD2-CZ 4.21Å; F16-F103 HydrophobicContact CG-CZ 4.31Å
17V98.1Very high94.6Very high57 Ų5757.5 Ų57.535%0.34529%0.287SS..Hα-helixtrans-56.3-41.4-178.9168.20000111F13 S14 A20 V21F13-V17 HydrophobicContact CD1-CG2 4.02Å; F13-V17 HydrophobicContact CE1-CG2 3.62Å; F13-V17 HydrophobicContact CE2-CG2 4.34Å; F13-V17 HydrophobicContact CZ-CG2 3.79Å; F13-V17 VanDerWaalsContact O-CG2 3.31Å; F13-V17 WeakPolarHBondContact O-CG2 3.49Å; F13-V17 PolarHBondContact O-N 2.98Å; S14-V17 PolarHBondContact O-N 3.27Å; V17-A20 PolarHBondContact O-N 3.36Å; V17-V21 HydrophobicContact CG1-CG2 4.22Å; V17-V21 WeakPolarHBondContact O-CB 3.48Å; V17-V21 VanDerWaalsContact O-CG2 3.3Å; V17-V21 WeakPolarHBondContact O-CG2 3.2Å; V17-V21 PolarHBondContact O-N 3.11Å
18F98.3Very high95.9Very high121 Ų12160.4 Ų60.453%0.53129%0.294SS..Hα-helixtrans-56.1-54176.3178.1-95.5000112.1S14 C15 F16 V21 L22S14-F18 PolarHBondContact O-N 3.3Å; C15-F18 PolarHBondContact O-N 3.35Å; F16-F18 VanDerWaalsContact C-N 3.25Å; F16-F18 PolarHBondContact O-N 2.9Å; F18-V21 PolarHBondContact O-N 3.47Å; F18-L22 HydrophobicContact CD1-CD1 4.06Å; F18-L22 HydrophobicContact CE1-CD1 3.5Å; F18-L22 HydrophobicContact CE1-CG 4.48Å; F18-L22 HydrophobicContact CZ-CD1 3.81Å; F18-L22 WeakPolarHBondContact O-CG 3.44Å; F18-L22 PolarHBondContact O-N 2.94Å
19Y98.8Very high96.9Very high29 Ų2957.9 Ų57.911%0.11428%0.284CS..Hα-helixtrans-69.3-36.2179.5-70.7-71.5000112.8C15 F16 L22 L23 R100 F103 L104 F107C15-Y19 VanDerWaalsContact O-CD2 3.23Å; C15-Y19 WeakPolarHBondContact O-CD2 3.37Å; C15-Y19 PolarHBondContact O-N 3.48Å; F16-Y19 PolarHBondContact O-N 3.38Å; F16-Y19 VanDerWaalsContact O-N 3.15Å; Y19-L22 PolarHBondContact O-N 3.29Å; Y19-L23 WeakPolarHBondContact O-CD1 3.23Å; Y19-L23 WeakPolarHBondContact O-CG 3.4Å; Y19-L23 PolarHBondContact O-N 2.97Å; Y19-R100 HydrophobicContact CE2-CG 4.47Å; Y19-F103 HydrophobicContact CD2-CB 3.4Å; Y19-F103 VanDerWaalsContact CD2-CB 3.4Å; Y19-F103 HydrophobicContact CD2-CD2 4.36Å; Y19-F103 HydrophobicContact CD2-CG 4.34Å; Y19-F103 HydrophobicContact CE2-CB 4.02Å; Y19-F103 HydrophobicContact CG-CB 3.88Å; Y19-L104 HydrophobicContact CE1-CB 4.31Å; Y19-L104 HydrophobicContact CE1-CD1 3.84Å; Y19-F107 HydrophobicContact CD1-CB 3.75Å; Y19-F107 HydrophobicContact CD1-CD1 4.08Å; Y19-F107 AromaticContact CD1-CG 3.86Å; Y19-F107 HydrophobicContact CD1-CG 3.86Å; Y19-F107 HydrophobicContact CE1-CB 4.38Å; Y19-F107 HydrophobicContact CE1-CD1 4.2Å; Y19-F107 HydrophobicContact CE1-CG 4.42Å
20A98.7Very high97.6Very high9 Ų950.2 Ų50.27%0.07426%0.256CS..Hα-helixtrans-58.5-47.5175.300000111.6F16 V17 L23 V24 L83F16-A20 HydrophobicContact CD2-CB 4.47Å; F16-A20 HydrophobicContact CE1-CB 4.38Å; F16-A20 HydrophobicContact CE2-CB 4.02Å; F16-A20 HydrophobicContact CZ-CB 3.96Å; F16-A20 VanDerWaalsContact O-CB 3.28Å; F16-A20 WeakPolarHBondContact O-CB 3.39Å; F16-A20 PolarHBondContact O-N 3.43Å; V17-A20 PolarHBondContact O-N 3.36Å; A20-L23 WeakPolarHBondContact O-CB 3.39Å; A20-L23 PolarHBondContact O-N 2.69Å; A20-V24 WeakPolarHBondContact O-CG2 3.2Å; A20-V24 PolarHBondContact O-N 3.03Å; A20-L83 HydrophobicContact CB-CD2 3.42Å; A20-L83 VanDerWaalsContact CB-CD2 3.42Å
21V98.8Very high98Very high76 Ų7649.4 Ų49.446%0.46126%0.257SS..Hα-helixtrans-64.7-41.2177.9170.40000111.1V17 F18 L23 V24 I25V17-V21 HydrophobicContact CG1-CG2 4.22Å; V17-V21 WeakPolarHBondContact O-CB 3.48Å; V17-V21 VanDerWaalsContact O-CG2 3.3Å; V17-V21 WeakPolarHBondContact O-CG2 3.2Å; V17-V21 PolarHBondContact O-N 3.11Å; F18-V21 PolarHBondContact O-N 3.47Å; V21-L23 VanDerWaalsContact C-N 3.3Å; V21-L23 PolarHBondContact O-N 3.1Å; V21-V24 PolarHBondContact O-N 3.17Å; V21-I25 HydrophobicContact CG1-CD1 3.83Å; V21-I25 HydrophobicContact CG1-CG1 4.35Å; V21-I25 VanDerWaalsContact O-CG1 3.31Å; V21-I25 WeakPolarHBondContact O-CG1 3.38Å; V21-I25 PolarHBondContact O-N 3.27Å
22L98.8Very high98.2Very high56 Ų5648.3 Ų48.329%0.29325%0.254SS..Hα-helixtrans-60.4-39175-69.3178.8000112.5F18 Y19 K26 F107F18-L22 HydrophobicContact CD1-CD1 4.06Å; F18-L22 HydrophobicContact CE1-CD1 3.5Å; F18-L22 HydrophobicContact CE1-CG 4.48Å; F18-L22 HydrophobicContact CZ-CD1 3.81Å; F18-L22 WeakPolarHBondContact O-CG 3.44Å; F18-L22 PolarHBondContact O-N 2.94Å; Y19-L22 PolarHBondContact O-N 3.29Å; L22-K26 WeakPolarHBondContact O-CB 3.44Å; L22-K26 PolarHBondContact O-N 3.21Å; L22-F107 HydrophobicContact CB-CD2 4.17Å; L22-F107 HydrophobicContact CB-CE2 3.62Å; L22-F107 HydrophobicContact CB-CZ 4.23Å; L22-F107 HydrophobicContact CD1-CE1 4.49Å; L22-F107 HydrophobicContact CD1-CE2 4.19Å; L22-F107 HydrophobicContact CD1-CZ 4.05Å
23L98.8Very high98.3Very high0 Ų050.4 Ų50.40%026%0.264CS..Hα-helixtrans-65.9-42.3175.5-73.7161.9000112.1Y19 A20 V21 K26 M27 I79 F82 F106 F107 R110Y19-L23 WeakPolarHBondContact O-CD1 3.23Å; Y19-L23 WeakPolarHBondContact O-CG 3.4Å; Y19-L23 PolarHBondContact O-N 2.97Å; A20-L23 WeakPolarHBondContact O-CB 3.39Å; A20-L23 PolarHBondContact O-N 2.69Å; V21-L23 VanDerWaalsContact C-N 3.3Å; V21-L23 PolarHBondContact O-N 3.1Å; L23-K26 WeakPolarHBondContact O-CB 3.31Å; L23-K26 PolarHBondContact O-N 3.07Å; L23-M27 WeakPolarHBondContact O-CG 3.2Å; L23-M27 PolarHBondContact O-N 3.32Å; L23-I79 HydrophobicContact CB-CD1 4.19Å; L23-I79 HydrophobicContact CB-CG2 3.94Å; L23-I79 HydrophobicContact CD1-CG2 4.45Å; L23-I79 HydrophobicContact CD2-CD1 3.92Å; L23-I79 HydrophobicContact CD2-CG1 4.24Å; L23-F82 HydrophobicContact CD1-CD1 3.73Å; L23-F82 HydrophobicContact CD1-CE1 3.56Å; L23-F82 HydrophobicContact CD1-CZ 4.46Å; L23-F106 HydrophobicContact CD1-CD1 3.7Å; L23-F106 HydrophobicContact CD1-CE1 3.66Å; L23-F106 HydrophobicContact CD2-CD1 4.34Å; L23-F106 HydrophobicContact CD2-CE1 4.12Å; L23-F107 HydrophobicContact CD2-CD2 4.02Å; L23-F107 HydrophobicContact CG-CD2 4.05Å; L23-R110 HydrophobicContact CD2-CB 3.85Å; L23-R110 HydrophobicContact CD2-CG 4.22Å
24V98.8Very high98.4Very high42 Ų4249.4 Ų49.426%0.25526%0.261SS..Hα-helixtrans-63.9-44.9176.1172.60000110.8A20 V21 K26 M27 Y28 L83A20-V24 WeakPolarHBondContact O-CG2 3.2Å; A20-V24 PolarHBondContact O-N 3.03Å; V21-V24 PolarHBondContact O-N 3.17Å; V24-K26 VanDerWaalsContact C-N 3.27Å; V24-K26 PolarHBondContact O-N 2.83Å; V24-M27 WeakPolarHBondContact O-CB 3.2Å; V24-M27 PolarHBondContact O-N 3.15Å; V24-Y28 HydrophobicContact CG1-CD2 4.17Å; V24-Y28 HydrophobicContact CG1-CE1 4.45Å; V24-Y28 HydrophobicContact CG1-CE2 3.59Å; V24-Y28 PolarHBondContact O-N 3.37Å; V24-L83 HydrophobicContact CG2-CD1 4.32Å
25I98.8Very high98.4Very high88 Ų8849 Ų4945%0.45126%0.264SS..Hα-helixtrans-56.6-44.3173.8-70.5168.1000110.3V21 M27 Y28 T29V21-I25 HydrophobicContact CG1-CD1 3.83Å; V21-I25 HydrophobicContact CG1-CG1 4.35Å; V21-I25 VanDerWaalsContact O-CG1 3.31Å; V21-I25 WeakPolarHBondContact O-CG1 3.38Å; V21-I25 PolarHBondContact O-N 3.27Å; I25-M27 VanDerWaalsContact C-N 3.33Å; I25-M27 PolarHBondContact O-N 3.44Å; I25-Y28 PolarHBondContact O-N 3.47Å; I25-T29 PolarHBondContact O-N 3.31Å; I25-T29 PolarHBondContact O-OG1 3.09Å; I25-T29 VanDerWaalsContact O-OG1 3.1Å
26K98.6Very high98.5Very high26 Ų2653.9 Ų53.911%0.11329%0.285CS..Hα-helixtrans-59.3-41.9175.7-174.8-163.573.269.80112.1L22 L23 V24 T29 I30 D75 V111 S114L22-K26 WeakPolarHBondContact O-CB 3.44Å; L22-K26 PolarHBondContact O-N 3.21Å; L23-K26 WeakPolarHBondContact O-CB 3.31Å; L23-K26 PolarHBondContact O-N 3.07Å; V24-K26 VanDerWaalsContact C-N 3.27Å; V24-K26 PolarHBondContact O-N 2.83Å; K26-T29 WeakPolarHBondContact O-CB 3.47Å; K26-T29 PolarHBondContact O-N 2.79Å; K26-I30 WeakPolarHBondContact O-CG1 3.2Å; K26-I30 PolarHBondContact O-N 3.2Å; K26-D75 IonicContact NZ-OD1 2.85Å; K26-D75 PolarHBondContact NZ-OD1 3.43Å; K26-D75 IonicContact NZ-OD2 2.56Å; K26-D75 PolarHBondContact NZ-OD2 2.89Å; K26-V111 HydrophobicContact CD-CG2 3.99Å; K26-S114 PolarHBondContact NZ-OG 2.86Å
27M98.7Very high98.4Very high16 Ų1654.1 Ų54.18%0.07929%0.287CS..Hα-helixtrans-62.3-43.7176.2-67.5178.469.800111.7L23 V24 I25 T29 I30 A31 D75 L76 I79L23-M27 WeakPolarHBondContact O-CG 3.2Å; L23-M27 PolarHBondContact O-N 3.32Å; V24-M27 WeakPolarHBondContact O-CB 3.2Å; V24-M27 PolarHBondContact O-N 3.15Å; I25-M27 VanDerWaalsContact C-N 3.33Å; I25-M27 PolarHBondContact O-N 3.44Å; M27-T29 VanDerWaalsContact C-N 3.31Å; M27-T29 PolarHBondContact O-N 3.48Å; M27-I30 PolarHBondContact O-N 3.01Å; M27-I30 VanDerWaalsContact O-N 3.17Å; M27-A31 PolarHBondContact O-N 3.13Å; M27-D75 HydrophobicContact CE-CB 4.07Å; M27-D75 HydrophobicContact CG-CB 3.94Å; M27-D75 HydrophobicContact SD-CB 4.29Å; M27-L76 HydrophobicContact CE-CD2 3.48Å; M27-L76 VanDerWaalsContact CE-CD2 3.48Å; M27-L76 HydrophobicContact CE-CG 3.74Å; M27-I79 HydrophobicContact CG-CD1 3.72Å; M27-I79 HydrophobicContact SD-CB 3.96Å; M27-I79 HydrophobicContact SD-CD1 3.73Å; M27-I79 HydrophobicContact SD-CG1 4.41Å; M27-I79 HydrophobicContact SD-CG2 3.87Å
28Y98.8Very high98.4Very high154 Ų15453 Ų5360%0.60428%0.277SS*.Hα-helixtrans-59.8-41.6173.1-64.8-31.6000112.2V24 I25 I30 A31 I32V24-Y28 HydrophobicContact CG1-CD2 4.17Å; V24-Y28 HydrophobicContact CG1-CE1 4.45Å; V24-Y28 HydrophobicContact CG1-CE2 3.59Å; V24-Y28 PolarHBondContact O-N 3.37Å; I25-Y28 PolarHBondContact O-N 3.47Å; Y28-I30 VanDerWaalsContact C-N 3.33Å; Y28-I30 PolarHBondContact O-N 3.49Å; Y28-A31 WeakPolarHBondContact O-CB 3.41Å; Y28-A31 PolarHBondContact O-N 2.99Å; Y28-I32 WeakPolarHBondContact O-CG1 3.25Å; Y28-I32 PolarHBondContact O-N 2.97Å
29T98.5Very high98.4Very high69 Ų6950.9 Ų50.942%0.42327%0.271SS..Hα-helixtrans-58.2-43.4174.9-61.40000111.7I25 K26 M27 I32 I33I25-T29 PolarHBondContact O-N 3.31Å; I25-T29 PolarHBondContact O-OG1 3.09Å; I25-T29 VanDerWaalsContact O-OG1 3.1Å; K26-T29 WeakPolarHBondContact O-CB 3.47Å; K26-T29 PolarHBondContact O-N 2.79Å; M27-T29 VanDerWaalsContact C-N 3.31Å; M27-T29 PolarHBondContact O-N 3.48Å; T29-I32 PolarHBondContact O-N 3.05Å; T29-I33 HydrophobicContact CG2-CD1 3.92Å; T29-I33 WeakPolarHBondContact O-CB 3.2Å; T29-I33 VanDerWaalsContact O-CG1 3.25Å; T29-I33 WeakPolarHBondContact O-CG1 3.46Å; T29-I33 PolarHBondContact O-N 3.4Å
30I98.1Very high98.4Very high3 Ų360.1 Ų60.12%0.01531%0.305CS..Hα-helixtrans-67.3-37.7177-62.4-178.9000111.6K26 M27 Y28 I33 T34 H72 D75K26-I30 WeakPolarHBondContact O-CG1 3.2Å; K26-I30 PolarHBondContact O-N 3.2Å; M27-I30 PolarHBondContact O-N 3.01Å; M27-I30 VanDerWaalsContact O-N 3.17Å; Y28-I30 VanDerWaalsContact C-N 3.33Å; Y28-I30 PolarHBondContact O-N 3.49Å; I30-I33 PolarHBondContact O-N 3.31Å; I30-T34 WeakPolarHBondContact O-CB 3.4Å; I30-T34 PolarHBondContact O-N 3.43Å; I30-T34 PolarHBondContact O-OG1 3.13Å; I30-H72 HydrophobicContact CG2-CB 3.79Å; I30-D75 WeakPolarHBondContact CD1-OD2 3.5Å
31A98.3Very high98.3Very high41 Ų4164.2 Ų64.234%0.33932%0.322SS..Hα-helixtrans-60.3-46.4174.400000111.6M27 Y28 T34 G35M27-A31 PolarHBondContact O-N 3.13Å; Y28-A31 WeakPolarHBondContact O-CB 3.41Å; Y28-A31 PolarHBondContact O-N 2.99Å; A31-T34 WeakPolarHBondContact O-CB 3.41Å; A31-T34 PolarHBondContact O-N 3.26Å; A31-G35 PolarHBondContact O-N 3.14Å
32I98.6Very high98.3Very high110 Ų11065.1 Ų65.156%0.56432%0.319SS*.Hα-helixtrans-61.7-48.5176.1-67.2166.1000110.6Y28 T29 T34 G35 Q36Y28-I32 WeakPolarHBondContact O-CG1 3.25Å; Y28-I32 PolarHBondContact O-N 2.97Å; T29-I32 PolarHBondContact O-N 3.05Å; I32-T34 VanDerWaalsContact C-N 3.26Å; I32-T34 PolarHBondContact O-N 3.43Å; I32-G35 PolarHBondContact O-N 3.19Å; I32-G35 VanDerWaalsContact O-N 3.14Å; I32-Q36 HydrophobicContact CG2-CG 4.34Å; I32-Q36 WeakPolarHBondContact O-CG 3.28Å; I32-Q36 PolarHBondContact O-N 3.24Å
33I98Very high98.2Very high57 Ų5762.5 Ų62.529%0.29231%0.305SS..Hα-helixtrans-55.1-45.4176.3-71.6167000110.3T29 I30 G35 Q36 V37 L118T29-I33 HydrophobicContact CG2-CD1 3.92Å; T29-I33 WeakPolarHBondContact O-CB 3.2Å; T29-I33 VanDerWaalsContact O-CG1 3.25Å; T29-I33 WeakPolarHBondContact O-CG1 3.46Å; T29-I33 PolarHBondContact O-N 3.4Å; I30-I33 PolarHBondContact O-N 3.31Å; I33-G35 PolarHBondContact O-N 3.37Å; I33-Q36 PolarHBondContact O-N 3Å; I33-V37 HydrophobicContact CG2-CG2 4.2Å; I33-V37 WeakPolarHBondContact O-CB 3.43Å; I33-V37 VanDerWaalsContact O-CG2 3.24Å; I33-V37 WeakPolarHBondContact O-CG2 3.43Å; I33-V37 PolarHBondContact O-N 2.76Å; I33-L118 HydrophobicContact CD1-CD1 4.13Å
34T98.1Very high98.2Very high14 Ų1463 Ų639%0.08631%0.308CS..Hα-helixtrans-58.5-46.7178.6-54.30000111.2I30 A31 I32 V37 R38 C68 R69I30-T34 WeakPolarHBondContact O-CB 3.4Å; I30-T34 PolarHBondContact O-N 3.43Å; I30-T34 PolarHBondContact O-OG1 3.13Å; A31-T34 WeakPolarHBondContact O-CB 3.41Å; A31-T34 PolarHBondContact O-N 3.26Å; I32-T34 VanDerWaalsContact C-N 3.26Å; I32-T34 PolarHBondContact O-N 3.43Å; T34-V37 PolarHBondContact O-N 3.49Å; T34-R38 WeakPolarHBondContact O-CG 3.46Å; T34-R38 PolarHBondContact O-N 3.11Å; T34-C68 HydrophobicContact CG2-CB 4.14Å; T34-C68 VanDerWaalsContact OG1-CB 3.27Å; T34-C68 WeakPolarHBondContact OG1-CB 3.43Å; T34-R69 HydrophobicContact CG2-CG 4.16Å
35G97.9Very high98.1Very high32 Ų3263.1 Ų63.133%0.3331%0.313SS..Hα-helixtrans-61.1-45.6176.600000113.1A31 I32 I33 V37 R38 L39A31-G35 PolarHBondContact O-N 3.14Å; I32-G35 PolarHBondContact O-N 3.19Å; I32-G35 VanDerWaalsContact O-N 3.14Å; I33-G35 PolarHBondContact O-N 3.37Å; G35-V37 VanDerWaalsContact C-N 3.34Å; G35-V37 PolarHBondContact O-N 3.07Å; G35-R38 WeakPolarHBondContact O-CB 3.28Å; G35-R38 PolarHBondContact O-N 3.34Å; G35-L39 PolarHBondContact O-N 3.01Å; G35-L39 VanDerWaalsContact O-N 3.13Å
36Q98.2Very high98Very high119 Ų11962.3 Ų62.356%0.55631%0.31SS*.Hα-helixtrans-63.5-38.9177.4-66.3-57.3-34.300112.4I32 I33 L39 R40I32-Q36 HydrophobicContact CG2-CG 4.34Å; I32-Q36 WeakPolarHBondContact O-CG 3.28Å; I32-Q36 PolarHBondContact O-N 3.24Å; I33-Q36 PolarHBondContact O-N 3Å; Q36-L39 PolarHBondContact O-N 3.21Å; Q36-R40 WeakPolarHBondContact O-CB 3.45Å; Q36-R40 PolarHBondContact O-N 3.45Å
37V97.8Very high98Very high18 Ų1863.7 Ų63.711%0.10932%0.321CS..Hα-helixtrans-64-43.4175.2171.80000110.8I33 T34 G35 L39 R40 K41 Y64 V65I33-V37 HydrophobicContact CG2-CG2 4.2Å; I33-V37 WeakPolarHBondContact O-CB 3.43Å; I33-V37 VanDerWaalsContact O-CG2 3.24Å; I33-V37 WeakPolarHBondContact O-CG2 3.43Å; I33-V37 PolarHBondContact O-N 2.76Å; T34-V37 PolarHBondContact O-N 3.49Å; G35-V37 VanDerWaalsContact C-N 3.34Å; G35-V37 PolarHBondContact O-N 3.07Å; V37-L39 VanDerWaalsContact C-N 3.32Å; V37-L39 PolarHBondContact O-N 3.4Å; V37-R40 PolarHBondContact O-N 2.85Å; V37-K41 HydrophobicContact CG1-CG 3.95Å; V37-K41 VanDerWaalsContact O-CB 3.27Å; V37-K41 WeakPolarHBondContact O-CB 3.44Å; V37-K41 WeakPolarHBondContact O-CG 3.24Å; V37-K41 PolarHBondContact O-N 3.45Å; V37-Y64 HydrophobicContact CB-CD1 4.44Å; V37-Y64 HydrophobicContact CG1-CD1 3.61Å; V37-Y64 HydrophobicContact CG1-CE1 4.37Å; V37-Y64 HydrophobicContact CG2-CD1 3.87Å; V37-Y64 HydrophobicContact CG2-CE1 3.77Å; V37-V65 HydrophobicContact CB-CG2 4.46Å; V37-V65 HydrophobicContact CG1-CG2 3.56Å
38R98.1Very high97.9Very high33 Ų3368.2 Ų68.213%0.12534%0.342CS..Hα-helixtrans-57-45.6176.7-72.2-177.4174.4-78.2-1.5111.9T34 G35 K42 A43 V65 E66T34-R38 WeakPolarHBondContact O-CG 3.46Å; T34-R38 PolarHBondContact O-N 3.11Å; G35-R38 WeakPolarHBondContact O-CB 3.28Å; G35-R38 PolarHBondContact O-N 3.34Å; R38-K42 WeakPolarHBondContact O-CA 3.07Å; R38-K42 PolarHBondContact O-N 3.1Å; R38-A43 WeakPolarHBondContact CB-O 3.45Å; R38-A43 VanDerWaalsContact CG-O 3.3Å; R38-A43 WeakPolarHBondContact CG-O 3.21Å; R38-A43 PolarHBondContact NH1-O 2.78Å; R38-A43 VanDerWaalsContact NH1-O 3.08Å; R38-A43 PolarHBondContact O-N 3.25Å; R38-A43 VanDerWaalsContact O-N 3.09Å; R38-V65 HydrophobicContact CG-CG1 3.77Å; R38-V65 HydrophobicContact CG-CG2 3.88Å; R38-V65 VanDerWaalsContact NH2-CG1 3.27Å; R38-E66 IonicContact NH2-OE1 3.62Å
39L97.9Very high97.9Very high77 Ų7763.9 Ų63.940%0.40333%0.329SS..Hα-helixtrans-61.9-51.2176-69.6169000111.4G35 Q36 V37 K41 K42 F44G35-L39 PolarHBondContact O-N 3.01Å; G35-L39 VanDerWaalsContact O-N 3.13Å; Q36-L39 PolarHBondContact O-N 3.21Å; V37-L39 VanDerWaalsContact C-N 3.32Å; V37-L39 PolarHBondContact O-N 3.4Å; L39-K41 VanDerWaalsContact C-N 3.34Å; L39-K41 PolarHBondContact O-N 2.94Å; L39-K42 PolarHBondContact O-N 2.92Å; L39-F44 HydrophobicContact CD2-CE1 3.98Å; L39-F44 HydrophobicContact CD2-CZ 4.25Å
40R97.7Very high97.8Very high223 Ų22360.6 Ų60.684%0.84231%0.309SS*.Hα-helixtrans-63.6-36.9-178-175.1176.3179.5175.11.5112.9Q36 V37Q36-R40 WeakPolarHBondContact O-CB 3.45Å; Q36-R40 PolarHBondContact O-N 3.45Å; V37-R40 PolarHBondContact O-N 2.85Å
41K97.5Very high97.8Very high95 Ų9565.5 Ų65.541%0.41334%0.335SS..Hα-helixtrans-89.2-8.9-178.5-65.1-67.3-172.7170.90113.5V37 L39 A43 R60V37-K41 HydrophobicContact CG1-CG 3.95Å; V37-K41 VanDerWaalsContact O-CB 3.27Å; V37-K41 WeakPolarHBondContact O-CB 3.44Å; V37-K41 WeakPolarHBondContact O-CG 3.24Å; V37-K41 PolarHBondContact O-N 3.45Å; L39-K41 VanDerWaalsContact C-N 3.34Å; L39-K41 PolarHBondContact O-N 2.94Å; K41-A43 HydrophobicContact CB-CB 4.23Å; K41-R60 PolarHBondContact O-NH2 3.37Å
42K97.5Very high97.8Very high95 Ų9573.1 Ų73.141%0.41336%0.355SS..THydrogen-bonded Turntrans45.461.2-168.4-62.7-168.9172.1-170.60110.9R38 L39 F44 F58 R60R38-K42 WeakPolarHBondContact O-CA 3.07Å; R38-K42 PolarHBondContact O-N 3.1Å; L39-K42 PolarHBondContact O-N 2.92Å; K42-F44 HydrophobicContact CB-CE2 4.22Å; K42-F58 HydrophobicContact CB-CB 4.2Å; K42-F58 HydrophobicContact CB-CD1 3.47Å; K42-F58 VanDerWaalsContact CB-CD1 3.47Å; K42-F58 HydrophobicContact CB-CD2 4.32Å; K42-F58 HydrophobicContact CB-CE1 3.85Å; K42-F58 HydrophobicContact CB-CG 3.74Å; K42-F58 HydrophobicContact CB-CZ 4.44Å; K42-F58 HydrophobicContact CD-CD1 4.04Å; K42-F58 HydrophobicContact CD-CD2 4.05Å; K42-F58 HydrophobicContact CD-CE1 3.65Å; K42-F58 HydrophobicContact CD-CE2 3.67Å; K42-F58 HydrophobicContact CD-CG 4.24Å; K42-F58 HydrophobicContact CD-CZ 3.45Å; K42-F58 VanDerWaalsContact CD-CZ 3.45Å; K42-F58 HydrophobicContact CG-CD1 4.42Å; K42-F58 HydrophobicContact CG-CE1 4.43Å; K42-F58 WeakPolarHBondContact O-CB 3.27Å; K42-R60 PolarHBondContact O-NE 3.41Å; K42-R60 VanDerWaalsContact O-NE 3.12Å
43A98.2Very high97.7Very high0 Ų071.8 Ų71.80%035%0.346CS..  trans-135.192.1-178.400000109R38 K41 R60 D62 V65R38-A43 WeakPolarHBondContact CB-O 3.45Å; R38-A43 VanDerWaalsContact CG-O 3.3Å; R38-A43 WeakPolarHBondContact CG-O 3.21Å; R38-A43 PolarHBondContact NH1-O 2.78Å; R38-A43 VanDerWaalsContact NH1-O 3.08Å; R38-A43 PolarHBondContact O-N 3.25Å; R38-A43 VanDerWaalsContact O-N 3.09Å; K41-A43 HydrophobicContact CB-CB 4.23Å; A43-R60 HydrophobicContact CB-CG 4.24Å; A43-D62 HydrophobicContact CB-CB 3.5Å; A43-V65 HydrophobicContact CB-CG2 4.24Å
44F98Very high97.7Very high11 Ų1171.5 Ų71.55%0.04836%0.357CS..BIsolated β-bridgetrans-104.1146.1-173.8-55.9-79.2000110.3L39 K42 D49 A50 H53 F58 R60L39-F44 HydrophobicContact CD2-CE1 3.98Å; L39-F44 HydrophobicContact CD2-CZ 4.25Å; K42-F44 HydrophobicContact CB-CE2 4.22Å; F44-D49 HydrophobicContact CB-CB 3.87Å; F44-D49 HydrophobicContact CD1-CB 3.95Å; F44-D49 HydrophobicContact CG-CB 4.03Å; F44-A50 HydrophobicContact CB-CB 4.27Å; F44-A50 HydrophobicContact CD2-CB 4.24Å; F44-H53 HydrophobicContact CD2-CB 4.44Å; F44-H53 HydrophobicContact CE1-CB 4.26Å; F44-H53 AromaticContact CE1-CD2 3.77Å; F44-H53 HydrophobicContact CE2-CB 3.51Å; F44-H53 HydrophobicContact CZ-CB 3.41Å; F44-H53 VanDerWaalsContact CZ-CB 3.41Å; F44-H53 AromaticContact CZ-CD2 3.8Å; F44-H53 AromaticContact CZ-CG 3.64Å; F44-F58 HydrophobicContact CD2-CB 3.78Å; F44-F58 HydrophobicContact CE2-CB 4.05Å; F44-F58 PolarHBondContact N-O 3.24Å; F44-R60 PolarHBondContact O-N 2.96Å
45A96.4Very high97.6Very high44 Ų4471.3 Ų71.336%0.36436%0.358SS..SBendtrans-84-24.2-179.600000112.5H59A45-H59 PolarHBondContact O-CD2 2.84Å; A45-H59 PolarHBondContact O-NE2 2.88Å
46N97.6Very high97.6Very high72 Ų7274.6 Ų74.639%0.38537%0.368SS..SBendtrans-115.1143.4-178.8-44-56.4000110.6E48 D49 A50N46-E48 VanDerWaalsContact C-N 3.34Å; N46-E48 HydrophobicContact CB-CG 4.42Å; N46-E48 WeakPolarHBondContact CB-OE1 3.49Å; N46-E48 WeakPolarHBondContact CB-OE2 3.38Å; N46-E48 PolarHBondContact O-N 3.38Å; N46-D49 PolarHBondContact ND2-OD2 3.5Å; N46-D49 PolarHBondContact O-N 3.26Å; N46-A50 PolarHBondContact O-N 2.91Å
47P97.4Very high97.6Very high54 Ų5474.8 Ų74.835%0.35137%0.369SS..Hα-helixtrans-64.3-33.7-178.825-33.8000113.5A50 L51 L56P47-A50 WeakPolarHBondContact O-CB 3.34Å; P47-A50 PolarHBondContact O-N 3.23Å; P47-L51 WeakPolarHBondContact O-CG 3.31Å; P47-L51 PolarHBondContact O-N 2.99Å; P47-L56 HydrophobicContact CB-CD2 3.8Å
48E98Very high97.6Very high112 Ų11275.6 Ų75.652%0.52337%0.371SS..Hα-helixtrans-64.8-38.5177.766.4-80-170.700112.6N46 L51 R52N46-E48 VanDerWaalsContact C-N 3.34Å; N46-E48 HydrophobicContact CB-CG 4.42Å; N46-E48 WeakPolarHBondContact CB-OE1 3.49Å; N46-E48 WeakPolarHBondContact CB-OE2 3.38Å; N46-E48 PolarHBondContact O-N 3.38Å; E48-L51 PolarHBondContact O-N 2.99Å; E48-R52 WeakPolarHBondContact O-CB 3.43Å; E48-R52 PolarHBondContact O-N 2.92Å
49D97.7Very high97.6Very high62 Ų6278.5 Ų78.533%0.33239%0.386SS..Hα-helixtrans-66.2-42.8174.2-66.6-36.4000110.4F44 N46 L51 R52 H53F44-D49 HydrophobicContact CB-CB 3.87Å; F44-D49 HydrophobicContact CD1-CB 3.95Å; F44-D49 HydrophobicContact CG-CB 4.03Å; N46-D49 PolarHBondContact ND2-OD2 3.5Å; N46-D49 PolarHBondContact O-N 3.26Å; D49-L51 PolarHBondContact O-N 2.96Å; D49-R52 PolarHBondContact O-N 3.48Å; D49-H53 WeakPolarHBondContact O-CB 3.32Å; D49-H53 PolarHBondContact O-CD2 3.46Å; D49-H53 PolarHBondContact O-N 2.94Å
50A97.7Very high97.6Very high0 Ų080.9 Ų80.90%039%0.389CS..Hα-helixtrans-61.3-45.5177.300000111.9F44 N46 P47 H53 G54 G55 F58 H59F44-A50 HydrophobicContact CB-CB 4.27Å; F44-A50 HydrophobicContact CD2-CB 4.24Å; N46-A50 PolarHBondContact O-N 2.91Å; P47-A50 WeakPolarHBondContact O-CB 3.34Å; P47-A50 PolarHBondContact O-N 3.23Å; A50-H53 CarbonylContact O-C 3.5Å; A50-H53 PolarHBondContact O-N 3.48Å; A50-G54 PolarHBondContact O-N 3.28Å; A50-G55 CarbonylContact C-O 3.58Å; A50-G55 PolarHBondContact O-N 2.8Å; A50-F58 HydrophobicContact CB-CB 4.18Å; A50-H59 HydrophobicContact CB-CB 3.76Å; A50-H59 VanDerWaalsContact CB-N 3.32Å
51L98.1Very high97.5Very high107 Ų10778 Ų7856%0.5639%0.385SS*.Hα-helixtrans-60.2-46.4174.8-76.4170000111.6P47 E48 D49 H53 G54 L56P47-L51 WeakPolarHBondContact O-CG 3.31Å; P47-L51 PolarHBondContact O-N 2.99Å; E48-L51 PolarHBondContact O-N 2.99Å; D49-L51 PolarHBondContact O-N 2.96Å; L51-H53 PolarHBondContact O-N 3.46Å; L51-G54 PolarHBondContact O-N 2.89Å; L51-L56 HydrophobicContact CD1-CD2 4.13Å; L51-L56 HydrophobicContact CD2-CD2 4.14Å; L51-L56 HydrophobicContact CD2-CG 3.8Å; L51-L56 HydrophobicContact CG-CD2 3.83Å; L51-L56 HydrophobicContact CG-CG 4.08Å
52R97.6Very high97.6Very high200 Ų20074.5 Ų74.576%0.75537%0.371SS*.Hα-helixtrans-59.3-31.1177.4-17862.7179.2116.6-5112.8E48 D49E48-R52 WeakPolarHBondContact O-CB 3.43Å; E48-R52 PolarHBondContact O-N 2.92Å; D49-R52 PolarHBondContact O-N 3.48Å
53H96.8Very high97.5Very high82 Ų8275 Ų7538%0.3838%0.384SS..THydrogen-bonded Turntrans-108.916.1-174.2-69-70.8000114.9F44 D49 A50 L51F44-H53 HydrophobicContact CD2-CB 4.44Å; F44-H53 HydrophobicContact CE1-CB 4.26Å; F44-H53 AromaticContact CE1-CD2 3.77Å; F44-H53 HydrophobicContact CE2-CB 3.51Å; F44-H53 HydrophobicContact CZ-CB 3.41Å; F44-H53 VanDerWaalsContact CZ-CB 3.41Å; F44-H53 AromaticContact CZ-CD2 3.8Å; F44-H53 AromaticContact CZ-CG 3.64Å; D49-H53 WeakPolarHBondContact O-CB 3.32Å; D49-H53 PolarHBondContact O-CD2 3.46Å; D49-H53 PolarHBondContact O-N 2.94Å; A50-H53 CarbonylContact O-C 3.5Å; A50-H53 PolarHBondContact O-N 3.48Å; L51-H53 PolarHBondContact O-N 3.46Å
54G96.7Very high97.5Very high51 Ų5179 Ų7953%0.52640%0.4SS..THydrogen-bonded Turntrans128.9-2.6161.800000117.1A50 L51 Q57A50-G54 PolarHBondContact O-N 3.28Å; L51-G54 PolarHBondContact O-N 2.89Å; G54-Q57 PolarHBondContact O-NE2 3.06Å
55G97.2Very high97.4Very high11 Ų1178.4 Ų78.411%0.11340%0.397CS..  trans143.9162169.800000115.1A50 Q57 F58A50-G55 CarbonylContact C-O 3.58Å; A50-G55 PolarHBondContact O-N 2.8Å; G55-Q57 VanDerWaalsContact CA-OE1 3.29Å; G55-Q57 PolarHBondContact O-N 3.49Å; G55-Q57 VanDerWaalsContact O-N 3.12Å; G55-F58 WeakPolarHBondContact O-CB 3.38Å; G55-F58 PolarHBondContact O-N 3.16Å
56L97.8Very high97.5Very high101 Ų10178.5 Ų78.553%0.52939%0.39SS..G310 helixtrans-59.8-22.2-176.9-73.6173.9000113.8P47 L51 F58 H59P47-L56 HydrophobicContact CB-CD2 3.8Å; L51-L56 HydrophobicContact CD1-CD2 4.13Å; L51-L56 HydrophobicContact CD2-CD2 4.14Å; L51-L56 HydrophobicContact CD2-CG 3.8Å; L51-L56 HydrophobicContact CG-CD2 3.83Å; L51-L56 HydrophobicContact CG-CG 4.08Å; L56-F58 PolarHBondContact O-N 3.45Å; L56-F58 VanDerWaalsContact O-N 3.09Å; L56-H59 WeakPolarHBondContact O-CB 3.38Å; L56-H59 PolarHBondContact O-N 3.29Å
57Q97.5Very high97.5Very high122 Ų12278.4 Ų78.457%0.5738%0.384SS*.G310 helixtrans-61.2-16.1172.970.6-81.514.600113.7G54 G55G54-Q57 PolarHBondContact O-NE2 3.06Å; G55-Q57 VanDerWaalsContact CA-OE1 3.29Å; G55-Q57 PolarHBondContact O-N 3.49Å; G55-Q57 VanDerWaalsContact O-N 3.12Å
58F97.9Very high97.5Very high36 Ų3675.9 Ų75.916%0.15837%0.368CS..G310 helixtrans-92.3-3.3174.4-55.5-47.6000113.7K42 F44 A50 G55 L56 R60K42-F58 HydrophobicContact CB-CB 4.2Å; K42-F58 HydrophobicContact CB-CD1 3.47Å; K42-F58 VanDerWaalsContact CB-CD1 3.47Å; K42-F58 HydrophobicContact CB-CD2 4.32Å; K42-F58 HydrophobicContact CB-CE1 3.85Å; K42-F58 HydrophobicContact CB-CG 3.74Å; K42-F58 HydrophobicContact CB-CZ 4.44Å; K42-F58 HydrophobicContact CD-CD1 4.04Å; K42-F58 HydrophobicContact CD-CD2 4.05Å; K42-F58 HydrophobicContact CD-CE1 3.65Å; K42-F58 HydrophobicContact CD-CE2 3.67Å; K42-F58 HydrophobicContact CD-CG 4.24Å; K42-F58 HydrophobicContact CD-CZ 3.45Å; K42-F58 VanDerWaalsContact CD-CZ 3.45Å; K42-F58 HydrophobicContact CG-CD1 4.42Å; K42-F58 HydrophobicContact CG-CE1 4.43Å; K42-F58 WeakPolarHBondContact O-CB 3.27Å; F44-F58 HydrophobicContact CD2-CB 3.78Å; F44-F58 HydrophobicContact CE2-CB 4.05Å; F44-F58 PolarHBondContact N-O 3.24Å; A50-F58 HydrophobicContact CB-CB 4.18Å; G55-F58 WeakPolarHBondContact O-CB 3.38Å; G55-F58 PolarHBondContact O-N 3.16Å; L56-F58 PolarHBondContact O-N 3.45Å; L56-F58 VanDerWaalsContact O-N 3.09Å; F58-R60 VanDerWaalsContact C-N 3.29Å; F58-R60 PolarHBondContact O-N 3.4Å
59H97.9Very high97.5Very high94 Ų9476.7 Ų76.744%0.43537%0.366SS..BIsolated β-bridgetrans-77.685.9165.1176.2-138.4000107.6A45 A50 L56A45-H59 PolarHBondContact O-CD2 2.84Å; A45-H59 PolarHBondContact O-NE2 2.88Å; A50-H59 HydrophobicContact CB-CB 3.76Å; A50-H59 VanDerWaalsContact CB-N 3.32Å; L56-H59 WeakPolarHBondContact O-CB 3.38Å; L56-H59 PolarHBondContact O-N 3.29Å
60R97.6Very high97.5Very high126 Ų12679.1 Ų79.148%0.47537%0.371SS..SBendtrans-157.1159-171.267.4179.7-175.5144.25.3111K41 K42 A43 F44 F58K41-R60 PolarHBondContact O-NH2 3.37Å; K42-R60 PolarHBondContact O-NE 3.41Å; K42-R60 VanDerWaalsContact O-NE 3.12Å; A43-R60 HydrophobicContact CB-CG 4.24Å; F44-R60 PolarHBondContact O-N 2.96Å; F58-R60 VanDerWaalsContact C-N 3.29Å; F58-R60 PolarHBondContact O-N 3.4Å
61E97.1Very high97.6Very high162 Ų16279.2 Ų79.276%0.75737%0.371SS*.  trans-79.9150.5170.9-61.3-171.8167.400111.6
62D98.1Very high97.6Very high22 Ų2276.4 Ų76.412%0.11836%0.355CS..  trans-132.8130.5169.4171.4-82.5000108.7A43 Y64 V65 E66A43-D62 HydrophobicContact CB-CB 3.5Å; D62-Y64 PolarHBondContact O-N 3.38Å; D62-Y64 VanDerWaalsContact O-N 3.11Å; D62-Y64 VanDerWaalsContact OD1-CA 3.3Å; D62-Y64 WeakPolarHBondContact OD1-CA 3.38Å; D62-Y64 WeakPolarHBondContact OD1-CB 3.36Å; D62-Y64 PolarHBondContact OD1-N 2.93Å; D62-V65 HydrophobicContact CB-CB 4.07Å; D62-V65 HydrophobicContact CB-CG2 3.81Å; D62-V65 WeakPolarHBondContact O-CB 3.28Å; D62-V65 PolarHBondContact O-N 3.17Å; D62-V65 VanDerWaalsContact O-N 3.12Å; D62-V65 PolarHBondContact OD1-N 3.18Å; D62-E66 PolarHBondContact O-N 3.49Å
63P96.9Very high97.6Very high106 Ų10671.3 Ų71.369%0.68834%0.342SS*.Hα-helixtrans-57.8-28.9-176.6-27.734.8000114.7R67P63-R67 WeakPolarHBondContact O-CB 3.25Å; P63-R67 PolarHBondContact O-N 3.18Å; P63-R67 VanDerWaalsContact O-N 3.09Å
64Y96.8Very high97.7Very high83 Ų8368.4 Ų68.433%0.32533%0.33SS..Hα-helixtrans-82.1-36.5179-162.2-106.2000111.7V37 D62 E66 R67 C68 L118V37-Y64 HydrophobicContact CB-CD1 4.44Å; V37-Y64 HydrophobicContact CG1-CD1 3.61Å; V37-Y64 HydrophobicContact CG1-CE1 4.37Å; V37-Y64 HydrophobicContact CG2-CD1 3.87Å; V37-Y64 HydrophobicContact CG2-CE1 3.77Å; D62-Y64 PolarHBondContact O-N 3.38Å; D62-Y64 VanDerWaalsContact O-N 3.11Å; D62-Y64 VanDerWaalsContact OD1-CA 3.3Å; D62-Y64 WeakPolarHBondContact OD1-CA 3.38Å; D62-Y64 WeakPolarHBondContact OD1-CB 3.36Å; D62-Y64 PolarHBondContact OD1-N 2.93Å; Y64-E66 VanDerWaalsContact C-N 3.34Å; Y64-R67 WeakPolarHBondContact O-CB 3.38Å; Y64-R67 PolarHBondContact O-N 3.4Å; Y64-C68 PolarHBondContact O-N 3.24Å; Y64-C68 PolarHBondContact O-SG 3.29Å; Y64-L118 WeakPolarHBondContact CE2-O 3.47Å; Y64-L118 PolarHBondContact OH-O 2.98Å
65V97.6Very high97.8Very high0 Ų066 Ų660%031%0.305CS..Hα-helixtrans-58-48168.31730000110.6V37 R38 A43 D62 R67 C68 R69V37-V65 HydrophobicContact CB-CG2 4.46Å; V37-V65 HydrophobicContact CG1-CG2 3.56Å; R38-V65 HydrophobicContact CG-CG1 3.77Å; R38-V65 HydrophobicContact CG-CG2 3.88Å; R38-V65 VanDerWaalsContact NH2-CG1 3.27Å; A43-V65 HydrophobicContact CB-CG2 4.24Å; D62-V65 HydrophobicContact CB-CB 4.07Å; D62-V65 HydrophobicContact CB-CG2 3.81Å; D62-V65 WeakPolarHBondContact O-CB 3.28Å; D62-V65 PolarHBondContact O-N 3.17Å; D62-V65 VanDerWaalsContact O-N 3.12Å; D62-V65 PolarHBondContact OD1-N 3.18Å; V65-R67 VanDerWaalsContact C-N 3.28Å; V65-R67 PolarHBondContact O-N 3.42Å; V65-C68 WeakPolarHBondContact O-CB 3.31Å; V65-C68 PolarHBondContact O-N 3.36Å; V65-C68 VanDerWaalsContact O-N 3.13Å; V65-R69 PolarHBondContact O-N 2.8Å
66E97.8Very high97.9Very high46 Ų4668.8 Ų68.822%0.21532%0.317CS..Hα-helixtrans-67.6-30.3179.8-71.4-49.111600112.7R38 D62 Y64 R69 R70R38-E66 IonicContact NH2-OE1 3.62Å; D62-E66 PolarHBondContact O-N 3.49Å; Y64-E66 VanDerWaalsContact C-N 3.34Å; E66-R69 PolarHBondContact O-N 2.92Å; E66-R69 WeakPolarHBondContact OE1-CD 3.43Å; E66-R70 WeakPolarHBondContact O-CB 3.36Å; E66-R70 WeakPolarHBondContact O-CG 3.29Å; E66-R70 PolarHBondContact O-N 3.34Å
67R97.2Very high97.9Very high70 Ų7069.3 Ų69.326%0.26432%0.317SS..Hα-helixtrans-63.4-43.9170.1176.8-176.5-70.6-85.71.3112P63 Y64 V65 R70 A71 Y117P63-R67 WeakPolarHBondContact O-CB 3.25Å; P63-R67 PolarHBondContact O-N 3.18Å; P63-R67 VanDerWaalsContact O-N 3.09Å; Y64-R67 WeakPolarHBondContact O-CB 3.38Å; Y64-R67 PolarHBondContact O-N 3.4Å; V65-R67 VanDerWaalsContact C-N 3.28Å; V65-R67 PolarHBondContact O-N 3.42Å; R67-R70 PolarHBondContact O-N 2.96Å; R67-A71 PolarHBondContact O-N 3.19Å; R67-Y117 WeakPolarHBondContact CD-O 3.38Å; R67-Y117 HydrophobicContact CG-CD1 4.07Å; R67-Y117 WeakPolarHBondContact CG-O 3.34Å; R67-Y117 PolarHBondContact NH1-O 3.41Å
68C97.8Very high98Very high0 Ų063.9 Ų63.90%029%0.291CS..Hα-helixtrans-64.3-42175.9-59.90000111.1T34 Y64 V65 A71 H72 L118T34-C68 HydrophobicContact CG2-CB 4.14Å; T34-C68 VanDerWaalsContact OG1-CB 3.27Å; T34-C68 WeakPolarHBondContact OG1-CB 3.43Å; Y64-C68 PolarHBondContact O-N 3.24Å; Y64-C68 PolarHBondContact O-SG 3.29Å; V65-C68 WeakPolarHBondContact O-CB 3.31Å; V65-C68 PolarHBondContact O-N 3.36Å; V65-C68 VanDerWaalsContact O-N 3.13Å; C68-A71 WeakPolarHBondContact O-CB 3.44Å; C68-A71 PolarHBondContact O-N 2.83Å; C68-H72 PolarHBondContact O-N 2.91Å; C68-L118 HydrophobicContact CB-CD2 4.3Å
69R97.9Very high98Very high130 Ų13062.2 Ų62.249%0.49128%0.284SS..Hα-helixtrans-59.8-47.8174.4-81.3-170.1144.2-124.11.7112.7T34 V65 E66 A71 H72 L73T34-R69 HydrophobicContact CG2-CG 4.16Å; V65-R69 PolarHBondContact O-N 2.8Å; E66-R69 PolarHBondContact O-N 2.92Å; E66-R69 WeakPolarHBondContact OE1-CD 3.43Å; R69-A71 VanDerWaalsContact C-N 3.31Å; R69-A71 PolarHBondContact O-N 3.29Å; R69-H72 PolarHBondContact O-N 3.46Å; R69-L73 WeakPolarHBondContact O-CB 3.37Å; R69-L73 PolarHBondContact O-N 2.93Å
70R98.3Very high98Very high113 Ų11362.2 Ų62.243%0.42629%0.287SS..Hα-helixtrans-61.6-37.9176.4-74.4-171.7-63.4-89.9-0.2112.7E66 R67 N74 Y117E66-R70 WeakPolarHBondContact O-CB 3.36Å; E66-R70 WeakPolarHBondContact O-CG 3.29Å; E66-R70 PolarHBondContact O-N 3.34Å; R67-R70 PolarHBondContact O-N 2.96Å; R70-N74 WeakPolarHBondContact O-CB 3.41Å; R70-N74 PolarHBondContact O-N 2.56Å; R70-Y117 HydrophobicContact CB-CE1 3.96Å
71A98.2Very high98.1Very high1 Ų159.1 Ų59.11%0.00828%0.283CS..Hα-helixtrans-62.1-45.5174.700000111.4R67 C68 R69 N74 D75 Y117R67-A71 PolarHBondContact O-N 3.19Å; C68-A71 WeakPolarHBondContact O-CB 3.44Å; C68-A71 PolarHBondContact O-N 2.83Å; R69-A71 VanDerWaalsContact C-N 3.31Å; R69-A71 PolarHBondContact O-N 3.29Å; A71-N74 PolarHBondContact O-N 3.48Å; A71-D75 PolarHBondContact O-N 2.97Å; A71-Y117 HydrophobicContact CB-CD1 4.24Å; A71-Y117 HydrophobicContact CB-CD2 4.14Å; A71-Y117 HydrophobicContact CB-CG 3.82Å
72H98.4Very high98.2Very high48 Ų4851.4 Ų51.422%0.22225%0.247CC..Hα-helixtrans-69-39.5178.6-163.1-174.2000112.7I30 C68 R69 N74 D75 L76I30-H72 HydrophobicContact CG2-CB 3.79Å; C68-H72 PolarHBondContact O-N 2.91Å; R69-H72 PolarHBondContact O-N 3.46Å; H72-N74 VanDerWaalsContact C-N 3.35Å; H72-D75 VanDerWaalsContact O-CB 3.31Å; H72-D75 WeakPolarHBondContact O-CB 3.2Å; H72-D75 PolarHBondContact O-N 3.4Å; H72-L76 PolarHBondContact O-N 3.05Å
73L98.6Very high98.2Very high93 Ų9352.4 Ų52.449%0.48725%0.252SS..Hα-helixtrans-62.2-44.8175.1-178.761.1000111R69 D75 L76 E77R69-L73 WeakPolarHBondContact O-CB 3.37Å; R69-L73 PolarHBondContact O-N 2.93Å; L73-D75 PolarHBondContact O-N 3.24Å; L73-L76 WeakPolarHBondContact O-CB 3.44Å; L73-L76 PolarHBondContact O-N 2.99Å; L73-E77 WeakPolarHBondContact O-CG 3.3Å; L73-E77 PolarHBondContact O-N 3.42Å
74N98.6Very high98.3Very high21 Ų2154 Ų5411%0.11225%0.248CC..Hα-helixtrans-65-31176.2-171.8-97.1000112.1R70 A71 H72 E77 N78 R110 H113R70-N74 WeakPolarHBondContact O-CB 3.41Å; R70-N74 PolarHBondContact O-N 2.56Å; A71-N74 PolarHBondContact O-N 3.48Å; H72-N74 VanDerWaalsContact C-N 3.35Å; N74-E77 PolarHBondContact ND2-OE2 3.36Å; N74-N78 PolarHBondContact ND2-ND2 3.06Å; N74-N78 WeakPolarHBondContact O-CB 3.47Å; N74-N78 PolarHBondContact O-N 2.93Å; N74-N78 PolarHBondContact O-ND2 3.48Å; N74-N78 PolarHBondContact OD1-ND2 2.95Å; N74-R110 PolarHBondContact O-NH2 2.88Å; N74-R110 VanDerWaalsContact OD1-CZ 3.3Å; N74-R110 PolarHBondContact OD1-NH1 2.99Å; N74-R110 PolarHBondContact OD1-NH2 3.33Å; N74-H113 PolarHBondContact OD1-CE1 2.85Å
75D98.6Very high98.4Very high0 Ų051.4 Ų51.40%024%0.24CC..Hα-helixtrans-62.4-44.4169.4-81.7-23.2000112.4K26 M27 I30 A71 H72 L73 E77 N78 I79 R110K26-D75 IonicContact NZ-OD1 2.85Å; K26-D75 PolarHBondContact NZ-OD1 3.43Å; K26-D75 IonicContact NZ-OD2 2.56Å; K26-D75 PolarHBondContact NZ-OD2 2.89Å; M27-D75 HydrophobicContact CE-CB 4.07Å; M27-D75 HydrophobicContact CG-CB 3.94Å; M27-D75 HydrophobicContact SD-CB 4.29Å; I30-D75 WeakPolarHBondContact CD1-OD2 3.5Å; A71-D75 PolarHBondContact O-N 2.97Å; H72-D75 VanDerWaalsContact O-CB 3.31Å; H72-D75 WeakPolarHBondContact O-CB 3.2Å; H72-D75 PolarHBondContact O-N 3.4Å; L73-D75 PolarHBondContact O-N 3.24Å; D75-E77 VanDerWaalsContact C-N 3.34Å; D75-E77 PolarHBondContact O-N 3.48Å; D75-N78 PolarHBondContact O-N 3.05Å; D75-I79 HydrophobicContact CB-CD1 3.83Å; D75-I79 HydrophobicContact CB-CG1 4.46Å; D75-I79 WeakPolarHBondContact O-CA 3.41Å; D75-I79 WeakPolarHBondContact O-CB 3.5Å; D75-I79 WeakPolarHBondContact O-CG1 3.49Å; D75-I79 PolarHBondContact O-N 3.32Å; D75-R110 IonicContact OD1-CZ 2.79Å; D75-R110 IonicContact OD1-NE 3.92Å; D75-R110 IonicContact OD1-NH2 3.59Å; D75-R110 PolarHBondContact OD1-NH2 2.82Å
76L98.5Very high98.4Very high70 Ų7051.4 Ų51.437%0.36624%0.24SC..Hα-helixtrans-58.5-47.3175.9-71.1163000111.2M27 H72 L73 N78 L80M27-L76 HydrophobicContact CE-CD2 3.48Å; M27-L76 VanDerWaalsContact CE-CD2 3.48Å; M27-L76 HydrophobicContact CE-CG 3.74Å; H72-L76 PolarHBondContact O-N 3.05Å; L73-L76 WeakPolarHBondContact O-CB 3.44Å; L73-L76 PolarHBondContact O-N 2.99Å; L76-N78 PolarHBondContact O-N 3.49Å; L76-N78 VanDerWaalsContact O-N 3.13Å; L76-L80 HydrophobicContact CB-CD1 4.37Å; L76-L80 HydrophobicContact CD2-CD1 3.95Å; L76-L80 HydrophobicContact CD2-CG 4.41Å; L76-L80 VanDerWaalsContact O-CB 3.31Å; L76-L80 WeakPolarHBondContact O-CB 3.4Å; L76-L80 VanDerWaalsContact O-CG 3.28Å; L76-L80 WeakPolarHBondContact O-CG 3.49Å; L76-L80 PolarHBondContact O-N 2.76Å
77E98.5Very high98.4Very high113 Ų11350.7 Ų50.753%0.52824%0.242SC..Hα-helixtrans-60.8-22.3179.7-69.7168.1174.800113.8L73 N74 D75 P81L73-E77 WeakPolarHBondContact O-CG 3.3Å; L73-E77 PolarHBondContact O-N 3.42Å; N74-E77 PolarHBondContact ND2-OE2 3.36Å; D75-E77 VanDerWaalsContact C-N 3.34Å; D75-E77 PolarHBondContact O-N 3.48Å; E77-P81 WeakPolarHBondContact O-CD 3.22Å; E77-P81 VanDerWaalsContact O-CG 3.29Å; E77-P81 WeakPolarHBondContact O-CG 3.36Å
78N98.7Very high98.4Very high8 Ų849.6 Ų49.64%0.04324%0.243CC..Hα-helixtrans-117.6-42.6-170.5-73.2-92.5000113.5N74 D75 L76 F82 F106 Y130 Q134N74-N78 PolarHBondContact ND2-ND2 3.06Å; N74-N78 WeakPolarHBondContact O-CB 3.47Å; N74-N78 PolarHBondContact O-N 2.93Å; N74-N78 PolarHBondContact O-ND2 3.48Å; N74-N78 PolarHBondContact OD1-ND2 2.95Å; D75-N78 PolarHBondContact O-N 3.05Å; L76-N78 PolarHBondContact O-N 3.49Å; L76-N78 VanDerWaalsContact O-N 3.13Å; N78-F82 WeakPolarHBondContact O-CB 3.4Å; N78-F82 PolarHBondContact O-N 3.47Å; N78-F106 WeakPolarHBondContact O-CZ 3.39Å; N78-Y130 VanDerWaalsContact OD1-CE2 3.29Å; N78-Y130 WeakPolarHBondContact OD1-CE2 3.33Å; N78-Q134 PolarHBondContact OD1-NE2 2.99Å
79I98.8Very high98.4Very high0 Ų049.6 Ų49.60%024%0.243CC..Hα-helixtrans-72.4-38.8-179.7-62.3175.7000109.6L23 M27 D75 F82 L83 F106 R110L23-I79 HydrophobicContact CB-CD1 4.19Å; L23-I79 HydrophobicContact CB-CG2 3.94Å; L23-I79 HydrophobicContact CD1-CG2 4.45Å; L23-I79 HydrophobicContact CD2-CD1 3.92Å; L23-I79 HydrophobicContact CD2-CG1 4.24Å; M27-I79 HydrophobicContact CG-CD1 3.72Å; M27-I79 HydrophobicContact SD-CB 3.96Å; M27-I79 HydrophobicContact SD-CD1 3.73Å; M27-I79 HydrophobicContact SD-CG1 4.41Å; M27-I79 HydrophobicContact SD-CG2 3.87Å; D75-I79 HydrophobicContact CB-CD1 3.83Å; D75-I79 HydrophobicContact CB-CG1 4.46Å; D75-I79 WeakPolarHBondContact O-CA 3.41Å; D75-I79 WeakPolarHBondContact O-CB 3.5Å; D75-I79 WeakPolarHBondContact O-CG1 3.49Å; D75-I79 PolarHBondContact O-N 3.32Å; I79-F82 CarbonylContact O-C 3.45Å; I79-F82 WeakPolarHBondContact O-CB 3.25Å; I79-F82 PolarHBondContact O-N 2.92Å; I79-L83 HydrophobicContact CG2-CD1 4.21Å; I79-L83 HydrophobicContact CG2-CG 4.08Å; I79-L83 VanDerWaalsContact O-CG 3.28Å; I79-L83 WeakPolarHBondContact O-CG 3.49Å; I79-L83 PolarHBondContact O-N 2.99Å; I79-F106 HydrophobicContact CG1-CE1 4.2Å; I79-F106 HydrophobicContact CG1-CZ 4.33Å; I79-R110 HydrophobicContact CG1-CG 4.48Å
80L98.6Very high98.4Very high94 Ų9443.5 Ų43.549%0.49222%0.22SC..Hα-helixtrans-62.5-48178.7-61.6178000112.6L76 F82 L83 F84L76-L80 HydrophobicContact CB-CD1 4.37Å; L76-L80 HydrophobicContact CD2-CD1 3.95Å; L76-L80 HydrophobicContact CD2-CG 4.41Å; L76-L80 VanDerWaalsContact O-CB 3.31Å; L76-L80 WeakPolarHBondContact O-CB 3.4Å; L76-L80 VanDerWaalsContact O-CG 3.28Å; L76-L80 WeakPolarHBondContact O-CG 3.49Å; L76-L80 PolarHBondContact O-N 2.76Å; L80-F82 VanDerWaalsContact C-N 3.31Å; L80-F82 PolarHBondContact O-N 3.08Å; L80-L83 HydrophobicContact CD2-CD1 4.32Å; L80-L83 PolarHBondContact O-N 3.23Å; L80-F84 PolarHBondContact O-N 2.91Å; L80-F84 VanDerWaalsContact O-N 3.16Å
81P98.7Very high98.2Very high61 Ų6144 Ų4440%0.39623%0.23SC..Hα-helixtrans-58.7-40.2171.1-27.236.5000113.2E77 L83 F84 L85E77-P81 WeakPolarHBondContact O-CD 3.22Å; E77-P81 VanDerWaalsContact O-CG 3.29Å; E77-P81 WeakPolarHBondContact O-CG 3.36Å; P81-L83 PolarHBondContact O-N 2.98Å; P81-F84 PolarHBondContact O-N 3.13Å; P81-L85 WeakPolarHBondContact O-CB 3.48Å; P81-L85 VanDerWaalsContact O-CG 3.3Å; P81-L85 WeakPolarHBondContact O-CG 3.4Å; P81-L85 PolarHBondContact O-N 3.42Å
82F98.8Very high98.1Very high0 Ų046.1 Ų46.10%024%0.244CC..Hα-helixtrans-63.5-39.4176.3171.8-91.9000112.8F16 L23 N78 I79 L80 F84 L85 G86 F103 F106 M140F16-F82 HydrophobicContact CD2-CE1 4.42Å; F16-F82 HydrophobicContact CE2-CE1 4.08Å; L23-F82 HydrophobicContact CD1-CD1 3.73Å; L23-F82 HydrophobicContact CD1-CE1 3.56Å; L23-F82 HydrophobicContact CD1-CZ 4.46Å; N78-F82 WeakPolarHBondContact O-CB 3.4Å; N78-F82 PolarHBondContact O-N 3.47Å; I79-F82 CarbonylContact O-C 3.45Å; I79-F82 WeakPolarHBondContact O-CB 3.25Å; I79-F82 PolarHBondContact O-N 2.92Å; L80-F82 VanDerWaalsContact C-N 3.31Å; L80-F82 PolarHBondContact O-N 3.08Å; F82-F84 VanDerWaalsContact C-N 3.29Å; F82-F84 PolarHBondContact O-N 3.24Å; F82-L85 PolarHBondContact O-N 3.42Å; F82-G86 WeakPolarHBondContact O-CA 3.47Å; F82-G86 PolarHBondContact O-N 3.39Å; F82-F103 AromaticContact CE2-CD1 3.93Å; F82-F103 HydrophobicContact CE2-CD1 3.93Å; F82-F103 HydrophobicContact CZ-CB 4.26Å; F82-F103 AromaticContact CZ-CD1 3.66Å; F82-F103 HydrophobicContact CZ-CD1 3.66Å; F82-F103 HydrophobicContact CZ-CE1 4.5Å; F82-F103 HydrophobicContact CZ-CG 4.32Å; F82-F106 HydrophobicContact CB-CD1 4.18Å; F82-F106 HydrophobicContact CB-CD2 4.27Å; F82-F106 HydrophobicContact CB-CE1 3.56Å; F82-F106 HydrophobicContact CB-CE2 3.7Å; F82-F106 HydrophobicContact CB-CZ 3.3Å; F82-F106 AromaticContact CD1-CD1 3.68Å; F82-F106 HydrophobicContact CD1-CD1 3.68Å; F82-F106 AromaticContact CD1-CE1 3.57Å; F82-F106 HydrophobicContact CD1-CE1 3.57Å; F82-F106 HydrophobicContact CD1-CG 4.41Å; F82-F106 HydrophobicContact CD1-CZ 4.25Å; F82-F106 HydrophobicContact CD2-CB 3.93Å; F82-F106 AromaticContact CD2-CD1 3.46Å; F82-F106 HydrophobicContact CD2-CD1 3.46Å; F82-F106 VanDerWaalsContact CD2-CD1 3.46Å; F82-F106 AromaticContact CD2-CD2 3.54Å; F82-F106 HydrophobicContact CD2-CD2 3.54Å; F82-F106 AromaticContact CD2-CE1 3.79Å; F82-F106 HydrophobicContact CD2-CE1 3.79Å; F82-F106 AromaticContact CD2-CE2 3.88Å; F82-F106 HydrophobicContact CD2-CE2 3.88Å; F82-F106 AromaticContact CD2-CG 3.33Å; F82-F106 HydrophobicContact CD2-CG 3.33Å; F82-F106 AromaticContact CD2-CZ 4Å; F82-F106 HydrophobicContact CD2-CZ 4Å; F82-F106 AromaticContact CE1-CD1 3.87Å; F82-F106 HydrophobicContact CE1-CD1 3.87Å; F82-F106 HydrophobicContact CE1-CE1 4.21Å; F82-F106 HydrophobicContact CE2-CB 3.58Å; F82-F106 AromaticContact CE2-CD1 3.65Å; F82-F106 HydrophobicContact CE2-CD1 3.65Å; F82-F106 HydrophobicContact CE2-CD2 4.12Å; F82-F106 HydrophobicContact CE2-CE1 4.38Å; F82-F106 AromaticContact CE2-CG 3.5Å; F82-F106 HydrophobicContact CE2-CG 3.5Å; F82-F106 AromaticContact CG-CD1 3.47Å; F82-F106 HydrophobicContact CG-CD1 3.47Å; F82-F106 VanDerWaalsContact CG-CD1 3.47Å; F82-F106 HydrophobicContact CG-CD2 4.03Å; F82-F106 AromaticContact CG-CE1 3.33Å; F82-F106 HydrophobicContact CG-CE1 3.33Å; F82-F106 AromaticContact CG-CE2 3.94Å; F82-F106 HydrophobicContact CG-CE2 3.94Å; F82-F106 AromaticContact CG-CG 3.83Å; F82-F106 HydrophobicContact CG-CG 3.83Å; F82-F106 AromaticContact CG-CZ 3.59Å; F82-F106 HydrophobicContact CG-CZ 3.59Å; F82-F106 HydrophobicContact CZ-CB 4.19Å; F82-F106 AromaticContact CZ-CD1 3.85Å; F82-F106 HydrophobicContact CZ-CD1 3.85Å; F82-F106 HydrophobicContact CZ-CG 4.13Å; F82-M140 HydrophobicContact CD2-CE 3.69Å; F82-M140 HydrophobicContact CE2-CE 3.77Å
83L98.8Very high97.8Very high44 Ų4447.1 Ų47.123%0.2327%0.267CS..Hα-helixtrans-61.4-41.6176.2-70.1178.5000110.8F16 A20 V24 I79 L80 P81 A87F16-L83 HydrophobicContact CZ-CD2 4.29Å; F16-L83 VanDerWaalsContact CZ-O 3.24Å; F16-L83 WeakPolarHBondContact CZ-O 3.43Å; A20-L83 HydrophobicContact CB-CD2 3.42Å; A20-L83 VanDerWaalsContact CB-CD2 3.42Å; V24-L83 HydrophobicContact CG2-CD1 4.32Å; I79-L83 HydrophobicContact CG2-CD1 4.21Å; I79-L83 HydrophobicContact CG2-CG 4.08Å; I79-L83 VanDerWaalsContact O-CG 3.28Å; I79-L83 WeakPolarHBondContact O-CG 3.49Å; I79-L83 PolarHBondContact O-N 2.99Å; L80-L83 HydrophobicContact CD2-CD1 4.32Å; L80-L83 PolarHBondContact O-N 3.23Å; P81-L83 PolarHBondContact O-N 2.98Å; L83-A87 VanDerWaalsContact O-CB 3.25Å; L83-A87 WeakPolarHBondContact O-CB 3.29Å; L83-A87 PolarHBondContact O-N 3.36Å
84F98.7Very high97.7Very high139 Ų13943.7 Ų43.761%0.6125%0.25SS*.Hα-helixtrans-65.5-55.9174.2174.8-100000111.8L80 P81 F82 G86 A87 V88L80-F84 PolarHBondContact O-N 2.91Å; L80-F84 VanDerWaalsContact O-N 3.16Å; P81-F84 PolarHBondContact O-N 3.13Å; F82-F84 VanDerWaalsContact C-N 3.29Å; F82-F84 PolarHBondContact O-N 3.24Å; F84-G86 PolarHBondContact O-N 3.44Å; F84-A87 PolarHBondContact O-N 3.06Å; F84-V88 HydrophobicContact CD2-CG2 4.39Å; F84-V88 HydrophobicContact CE1-CG2 4.38Å; F84-V88 HydrophobicContact CE2-CG2 4.01Å; F84-V88 HydrophobicContact CZ-CG2 4.01Å; F84-V88 WeakPolarHBondContact O-CG2 3.46Å; F84-V88 PolarHBondContact O-N 2.74Å
85L98.7Very high97.6Very high28 Ų2845.9 Ų45.915%0.14727%0.267CS..Hα-helixtrans-61.1-44.9-177-70.1174.1000111.8P81 F82 A87 V88 Y89 C137 M140 A141 I144P81-L85 WeakPolarHBondContact O-CB 3.48Å; P81-L85 VanDerWaalsContact O-CG 3.3Å; P81-L85 WeakPolarHBondContact O-CG 3.4Å; P81-L85 PolarHBondContact O-N 3.42Å; F82-L85 PolarHBondContact O-N 3.42Å; L85-A87 PolarHBondContact O-N 3.17Å; L85-V88 PolarHBondContact O-N 3.13Å; L85-Y89 WeakPolarHBondContact O-CB 3.36Å; L85-Y89 PolarHBondContact O-N 3.14Å; L85-C137 HydrophobicContact CD1-CB 4.08Å; L85-M140 HydrophobicContact CB-CE 4.12Å; L85-A141 HydrophobicContact CD1-CB 4.37Å; L85-A141 HydrophobicContact CD2-CB 4.04Å; L85-I144 HydrophobicContact CD2-CD1 3.91Å
86G98.3Very high97.5Very high0 Ų048 Ų480%028%0.278CS..Hα-helixtrans-65.7-37.1-179.900000112.8F82 F84 S90F82-G86 WeakPolarHBondContact O-CA 3.47Å; F82-G86 PolarHBondContact O-N 3.39Å; F84-G86 PolarHBondContact O-N 3.44Å; G86-S90 WeakPolarHBondContact O-CB 3.25Å; G86-S90 PolarHBondContact O-N 3.27Å; G86-S90 PolarHBondContact O-OG 2.99Å
87A97.8Very high97.5Very high31 Ų3150.1 Ų50.126%0.25630%0.295SS..Hα-helixtrans-64.7-50174.200000111.3F16 L83 F84 L85 S90F16-A87 HydrophobicContact CD1-CB 4.49Å; F16-A87 HydrophobicContact CE1-CB 3.71Å; F16-A87 HydrophobicContact CZ-CB 3.94Å; L83-A87 VanDerWaalsContact O-CB 3.25Å; L83-A87 WeakPolarHBondContact O-CB 3.29Å; L83-A87 PolarHBondContact O-N 3.36Å; F84-A87 PolarHBondContact O-N 3.06Å; L85-A87 PolarHBondContact O-N 3.17Å; A87-S90 PolarHBondContact O-N 3.02Å
88V97.9Very high97.4Very high47 Ų4747.6 Ų47.629%0.28529%0.286SS..Hα-helixtrans-64.9-45.7179.3177.90000110.9F84 L85 S90 L91 T92 I144F84-V88 HydrophobicContact CD2-CG2 4.39Å; F84-V88 HydrophobicContact CE1-CG2 4.38Å; F84-V88 HydrophobicContact CE2-CG2 4.01Å; F84-V88 HydrophobicContact CZ-CG2 4.01Å; F84-V88 WeakPolarHBondContact O-CG2 3.46Å; F84-V88 PolarHBondContact O-N 2.74Å; L85-V88 PolarHBondContact O-N 3.13Å; V88-S90 VanDerWaalsContact C-N 3.26Å; V88-S90 PolarHBondContact O-N 3.45Å; V88-L91 WeakPolarHBondContact O-CA 3.37Å; V88-L91 WeakPolarHBondContact O-CB 3.4Å; V88-L91 PolarHBondContact O-N 3.05Å; V88-T92 PolarHBondContact O-N 3.42Å; V88-I144 HydrophobicContact CB-CD1 3.96Å; V88-I144 HydrophobicContact CG1-CD1 3.88Å; V88-I144 HydrophobicContact CG1-CG1 4.02Å; V88-I144 HydrophobicContact CG1-CG2 3.82Å
89Y98Very high97.4Very high1 Ų147.2 Ų47.20%0.00428%0.284CS..Hα-helixtrans-58.6-36.8177.9-177.6-112.8000112.3L85 L91 T92 P94 A99 F103 M140 Q143 I144L85-Y89 WeakPolarHBondContact O-CB 3.36Å; L85-Y89 PolarHBondContact O-N 3.14Å; Y89-L91 PolarHBondContact O-N 3.37Å; Y89-L91 VanDerWaalsContact O-N 3.1Å; Y89-T92 PolarHBondContact O-N 2.93Å; Y89-T92 VanDerWaalsContact O-N 3.11Å; Y89-T92 PolarHBondContact O-OG1 3.2Å; Y89-P94 HydrophobicContact CD1-CG 4.08Å; Y89-P94 HydrophobicContact CE1-CB 3.78Å; Y89-P94 HydrophobicContact CE1-CG 3.71Å; Y89-P94 HydrophobicContact CE2-CB 4.07Å; Y89-P94 HydrophobicContact CE2-CG 4.38Å; Y89-P94 VanDerWaalsContact CZ-CB 3.48Å; Y89-P94 WeakPolarHBondContact O-CD 3.33Å; Y89-P94 WeakPolarHBondContact O-CG 3.15Å; Y89-P94 WeakPolarHBondContact OH-CB 3.43Å; Y89-A99 HydrophobicContact CE1-CB 3.98Å; Y89-F103 HydrophobicContact CD1-CE1 4.36Å; Y89-F103 HydrophobicContact CD1-CZ 4.3Å; Y89-M140 HydrophobicContact CD1-CG 3.74Å; Y89-M140 HydrophobicContact CD1-SD 3.71Å; Y89-M140 HydrophobicContact CD2-CB 4.19Å; Y89-M140 HydrophobicContact CD2-CG 4Å; Y89-M140 HydrophobicContact CE1-CG 4.13Å; Y89-M140 HydrophobicContact CE1-SD 4.45Å; Y89-M140 HydrophobicContact CE2-CG 4.37Å; Y89-M140 HydrophobicContact CG-CB 4.13Å; Y89-M140 HydrophobicContact CG-CG 3.66Å; Y89-M140 HydrophobicContact CG-SD 3.9Å; Y89-Q143 HydrophobicContact CD2-CB 4.37Å; Y89-Q143 HydrophobicContact CE2-CB 3.93Å; Y89-Q143 HydrophobicContact CE2-CG 4.43Å; Y89-Q143 VanDerWaalsContact CE2-OE1 3.28Å; Y89-Q143 PolarHBondContact OH-OE1 3.26Å; Y89-I144 HydrophobicContact CD2-CG1 4.45Å
90S97.3Very high97.4Very high2 Ų253.1 Ų53.11%0.01431%0.307CS..THydrogen-bonded Turntrans-62.8-18.5176.2-610000113.5F16 G86 A87 V88F16-S90 WeakPolarHBondContact CB-OG 3.3Å; G86-S90 WeakPolarHBondContact O-CB 3.25Å; G86-S90 PolarHBondContact O-N 3.27Å; G86-S90 PolarHBondContact O-OG 2.99Å; A87-S90 PolarHBondContact O-N 3.02Å; V88-S90 VanDerWaalsContact C-N 3.26Å; V88-S90 PolarHBondContact O-N 3.45Å
91L94.6Very high97.4Very high122 Ų12253.7 Ų53.764%0.63931%0.31SS*.THydrogen-bonded Turntrans-96.8-8.4179.3-55.8175.9000113.1V88 Y89 G93V88-L91 WeakPolarHBondContact O-CA 3.37Å; V88-L91 WeakPolarHBondContact O-CB 3.4Å; V88-L91 PolarHBondContact O-N 3.05Å; Y89-L91 PolarHBondContact O-N 3.37Å; Y89-L91 VanDerWaalsContact O-N 3.1Å; L91-G93 PolarHBondContact O-N 2.88Å
92T94.7Very high97.4Very high46 Ų4651.9 Ų51.928%0.28230%0.296SS..SBendtrans-84.69.4178.169.90000113.2V88 Y89 I144V88-T92 PolarHBondContact O-N 3.42Å; Y89-T92 PolarHBondContact O-N 2.93Å; Y89-T92 VanDerWaalsContact O-N 3.11Å; Y89-T92 PolarHBondContact O-OG1 3.2Å; T92-I144 HydrophobicContact CG2-CG1 4.18Å
93G92.8Very high97.4Very high69 Ų6951.9 Ų51.971%0.71130%0.296SS*.  trans6638.5-179.500000116.5L91L91-G93 PolarHBondContact O-N 2.88Å
94P96.1Very high97.4Very high21 Ų2152.7 Ų52.714%0.13630%0.3CS..  trans-69.5161.9176.734.7-37.9000111.3V12 Y89 A99V12-P94 HydrophobicContact CG1-CG 3.93Å; Y89-P94 HydrophobicContact CD1-CG 4.08Å; Y89-P94 HydrophobicContact CE1-CB 3.78Å; Y89-P94 HydrophobicContact CE1-CG 3.71Å; Y89-P94 HydrophobicContact CE2-CB 4.07Å; Y89-P94 HydrophobicContact CE2-CG 4.38Å; Y89-P94 VanDerWaalsContact CZ-CB 3.48Å; Y89-P94 WeakPolarHBondContact O-CD 3.33Å; Y89-P94 WeakPolarHBondContact O-CG 3.15Å; Y89-P94 WeakPolarHBondContact OH-CB 3.43Å; P94-A99 HydrophobicContact CG-CB 4.15Å
95S96.9Very high97.4Very high68 Ų6848.7 Ų48.748%0.47629%0.287SS..  trans-68.7142.2170.874.10000110.9T97 V98 A99S95-T97 VanDerWaalsContact C-N 3.28Å; S95-T97 PolarHBondContact O-N 2.74Å; S95-V98 PolarHBondContact O-N 3.03Å; S95-V98 WeakPolarHBondContact OG-CB 3.44Å; S95-V98 WeakPolarHBondContact OG-CG2 3.43Å; S95-A99 PolarHBondContact O-N 2.79Å
96L97.1Very high97.4Very high44 Ų4447.3 Ų47.323%0.2328%0.28CS..Hα-helixtrans-56.4-41.7-178.9177.662000112.6E11 V12 C15 V98 A99 R100E11-L96 HydrophobicContact CB-CD1 4.21Å; E11-L96 HydrophobicContact CB-CD2 4.1Å; E11-L96 WeakPolarHBondContact OE2-CD2 3.37Å; V12-L96 HydrophobicContact CG2-CB 4.35Å; V12-L96 HydrophobicContact CG2-CD1 4.24Å; C15-L96 HydrophobicContact CB-CD1 4.03Å; L96-V98 PolarHBondContact O-N 3.28Å; L96-A99 PolarHBondContact O-N 2.95Å; L96-R100 WeakPolarHBondContact O-CB 3.38Å; L96-R100 PolarHBondContact O-N 3.03Å
97T97.8Very high97.4Very high115 Ų11549.2 Ų49.271%0.70629%0.288SS*.Hα-helixtrans-60.5-46.5179.7-560000111.6S95 L101S95-T97 VanDerWaalsContact C-N 3.28Å; S95-T97 PolarHBondContact O-N 2.74Å; T97-L101 PolarHBondContact O-N 2.88Å; T97-L101 VanDerWaalsContact O-N 3.07Å
98V97.4Very high97.5Very high59 Ų5952.2 Ų52.236%0.35830%0.299SS..Hα-helixtrans-68.3-45.4-179.3173.60000110.4S95 L96 R100 L101 H102S95-V98 PolarHBondContact O-N 3.03Å; S95-V98 WeakPolarHBondContact OG-CB 3.44Å; S95-V98 WeakPolarHBondContact OG-CG2 3.43Å; L96-V98 PolarHBondContact O-N 3.28Å; V98-R100 PolarHBondContact O-N 3.3Å; V98-L101 WeakPolarHBondContact O-CB 3.48Å; V98-L101 PolarHBondContact O-N 2.74Å; V98-H102 VanDerWaalsContact CG1-CE1 3.47Å; V98-H102 WeakPolarHBondContact CG1-CE1 3.27Å; V98-H102 PolarHBondContact O-N 3.32Å; V98-H102 VanDerWaalsContact O-N 3.09Å; V98-H102 PolarHBondContact O-ND1 2.88Å
99A98.1Very high97.5Very high0 Ų050.4 Ų50.40%029%0.289CS..Hα-helixtrans-61.8-44.817800000112.1V12 Y89 P94 S95 L96 L101 H102 F103V12-A99 HydrophobicContact CG1-CB 3.61Å; Y89-A99 HydrophobicContact CE1-CB 3.98Å; P94-A99 HydrophobicContact CG-CB 4.15Å; S95-A99 PolarHBondContact O-N 2.79Å; L96-A99 PolarHBondContact O-N 2.95Å; A99-L101 VanDerWaalsContact C-N 3.27Å; A99-L101 PolarHBondContact O-N 3.4Å; A99-H102 WeakPolarHBondContact O-CB 3.31Å; A99-H102 PolarHBondContact O-N 3.01Å; A99-H102 VanDerWaalsContact O-N 3.13Å; A99-F103 HydrophobicContact CB-CE2 3.85Å; A99-F103 HydrophobicContact CB-CZ 4.05Å; A99-F103 WeakPolarHBondContact O-CD2 3.48Å; A99-F103 WeakPolarHBondContact O-CG 3.24Å; A99-F103 PolarHBondContact O-N 3.47Å
100R98.6Very high97.6Very high125 Ų12550.3 Ų50.347%0.47229%0.289SS..Hα-helixtrans-57-41.7175.1-177.2-178.9-65.51780.9111.6Y19 L96 V98 F103 L104Y19-R100 HydrophobicContact CE2-CG 4.47Å; L96-R100 WeakPolarHBondContact O-CB 3.38Å; L96-R100 PolarHBondContact O-N 3.03Å; V98-R100 PolarHBondContact O-N 3.3Å; R100-F103 PolarHBondContact O-N 2.81Å; R100-L104 WeakPolarHBondContact O-CB 3.43Å; R100-L104 PolarHBondContact O-N 3.44Å
101L98.6Very high97.6Very high106 Ų10652.4 Ų52.456%0.55530%0.301SS*.Hα-helixtrans-62.2-45.4177.2-17565000111.5T97 V98 A99 F103 L104 V105T97-L101 PolarHBondContact O-N 2.88Å; T97-L101 VanDerWaalsContact O-N 3.07Å; V98-L101 WeakPolarHBondContact O-CB 3.48Å; V98-L101 PolarHBondContact O-N 2.74Å; A99-L101 VanDerWaalsContact C-N 3.27Å; A99-L101 PolarHBondContact O-N 3.4Å; L101-F103 PolarHBondContact O-N 2.9Å; L101-L104 PolarHBondContact O-N 3.5Å; L101-V105 HydrophobicContact CD1-CG2 4.02Å; L101-V105 HydrophobicContact CG-CG2 4.34Å; L101-V105 WeakPolarHBondContact O-CB 3.38Å; L101-V105 VanDerWaalsContact O-CG2 3.25Å; L101-V105 WeakPolarHBondContact O-CG2 3.29Å; L101-V105 PolarHBondContact O-N 2.96Å
102H98.7Very high97.8Very high23 Ų2350.2 Ų50.211%0.10629%0.29CS..Hα-helixtrans-58-49176.9-74.475.9000111.5V98 A99 F106 P136 S139 M140V98-H102 VanDerWaalsContact CG1-CE1 3.47Å; V98-H102 WeakPolarHBondContact CG1-CE1 3.27Å; V98-H102 PolarHBondContact O-N 3.32Å; V98-H102 VanDerWaalsContact O-N 3.09Å; V98-H102 PolarHBondContact O-ND1 2.88Å; A99-H102 WeakPolarHBondContact O-CB 3.31Å; A99-H102 PolarHBondContact O-N 3.01Å; A99-H102 VanDerWaalsContact O-N 3.13Å; H102-F106 WeakPolarHBondContact O-CB 3.39Å; H102-F106 PolarHBondContact O-N 3.37Å; H102-P136 HydrophobicContact CB-CB 3.89Å; H102-S139 WeakPolarHBondContact NE2-CB 3.45Å; H102-S139 PolarHBondContact NE2-OG 2.68Å; H102-M140 HydrophobicContact CB-SD 4.42Å
103F98.8Very high98Very high0 Ų048.3 Ų48.30%028%0.278CS..Hα-helixtrans-67.7-41.6-177.8-52.6-31.1000112.3V12 F16 Y19 F82 Y89 A99 R100 L101 F107 M140V12-F103 HydrophobicContact CG1-CE2 4.39Å; F16-F103 HydrophobicContact CB-CD2 4.06Å; F16-F103 HydrophobicContact CB-CE1 4.3Å; F16-F103 HydrophobicContact CB-CE2 3.49Å; F16-F103 VanDerWaalsContact CB-CE2 3.49Å; F16-F103 HydrophobicContact CB-CZ 3.63Å; F16-F103 HydrophobicContact CD2-CD1 4.36Å; F16-F103 HydrophobicContact CD2-CE1 4.04Å; F16-F103 HydrophobicContact CD2-CZ 4.21Å; F16-F103 HydrophobicContact CG-CZ 4.31Å; Y19-F103 HydrophobicContact CD2-CB 3.4Å; Y19-F103 VanDerWaalsContact CD2-CB 3.4Å; Y19-F103 HydrophobicContact CD2-CD2 4.36Å; Y19-F103 HydrophobicContact CD2-CG 4.34Å; Y19-F103 HydrophobicContact CE2-CB 4.02Å; Y19-F103 HydrophobicContact CG-CB 3.88Å; F82-F103 AromaticContact CE2-CD1 3.93Å; F82-F103 HydrophobicContact CE2-CD1 3.93Å; F82-F103 HydrophobicContact CZ-CB 4.26Å; F82-F103 AromaticContact CZ-CD1 3.66Å; F82-F103 HydrophobicContact CZ-CD1 3.66Å; F82-F103 HydrophobicContact CZ-CE1 4.5Å; F82-F103 HydrophobicContact CZ-CG 4.32Å; Y89-F103 HydrophobicContact CD1-CE1 4.36Å; Y89-F103 HydrophobicContact CD1-CZ 4.3Å; A99-F103 HydrophobicContact CB-CE2 3.85Å; A99-F103 HydrophobicContact CB-CZ 4.05Å; A99-F103 WeakPolarHBondContact O-CD2 3.48Å; A99-F103 WeakPolarHBondContact O-CG 3.24Å; A99-F103 PolarHBondContact O-N 3.47Å; R100-F103 PolarHBondContact O-N 2.81Å; L101-F103 PolarHBondContact O-N 2.9Å; F103-F107 VanDerWaalsContact O-CB 3.27Å; F103-F107 WeakPolarHBondContact O-CB 3.5Å; F103-F107 PolarHBondContact O-N 2.99Å; F103-M140 HydrophobicContact CD1-SD 4.43Å; F103-M140 HydrophobicContact CE1-SD 3.86Å
104L98.8Very high98.3Very high60 Ų6045.3 Ų45.331%0.31425%0.246SC..Hα-helixtrans-65.3-47.4178.3178.363.6000111.7Y19 R100 L101 F106 F107 L108Y19-L104 HydrophobicContact CE1-CB 4.31Å; Y19-L104 HydrophobicContact CE1-CD1 3.84Å; R100-L104 WeakPolarHBondContact O-CB 3.43Å; R100-L104 PolarHBondContact O-N 3.44Å; L101-L104 PolarHBondContact O-N 3.5Å; L104-F106 VanDerWaalsContact C-N 3.34Å; L104-F106 PolarHBondContact O-N 3.23Å; L104-F107 PolarHBondContact O-N 3.47Å; L104-L108 HydrophobicContact CD1-CD1 3.83Å; L104-L108 HydrophobicContact CD1-CD2 4.47Å; L104-L108 HydrophobicContact CD1-CG 3.9Å; L104-L108 HydrophobicContact CG-CD1 3.98Å; L104-L108 HydrophobicContact CG-CG 4.38Å; L104-L108 WeakPolarHBondContact O-CG 3.18Å; L104-L108 PolarHBondContact O-N 3.17Å
105V98.8Very high98.4Very high55 Ų5548.2 Ų48.233%0.33326%0.26SS..Hα-helixtrans-60.4-46.9178.51690000110.1L101 F107 A109 P136L101-V105 HydrophobicContact CD1-CG2 4.02Å; L101-V105 HydrophobicContact CG-CG2 4.34Å; L101-V105 WeakPolarHBondContact O-CB 3.38Å; L101-V105 VanDerWaalsContact O-CG2 3.25Å; L101-V105 WeakPolarHBondContact O-CG2 3.29Å; L101-V105 PolarHBondContact O-N 2.96Å; V105-F107 PolarHBondContact O-N 2.83Å; V105-A109 WeakPolarHBondContact O-CB 3.42Å; V105-A109 PolarHBondContact O-N 3.4Å; V105-P136 HydrophobicContact CG1-CG 4.24Å
106F98.9Very high98.4Very high0 Ų045.1 Ų45.10%024%0.239CC..Hα-helixtrans-58-50.5175.8-174.6-91.2000111.2L23 N78 I79 F82 H102 L104 L108 A109 R110 A133 P136 C137L23-F106 HydrophobicContact CD1-CD1 3.7Å; L23-F106 HydrophobicContact CD1-CE1 3.66Å; L23-F106 HydrophobicContact CD2-CD1 4.34Å; L23-F106 HydrophobicContact CD2-CE1 4.12Å; N78-F106 WeakPolarHBondContact O-CZ 3.39Å; I79-F106 HydrophobicContact CG1-CE1 4.2Å; I79-F106 HydrophobicContact CG1-CZ 4.33Å; F82-F106 HydrophobicContact CB-CD1 4.18Å; F82-F106 HydrophobicContact CB-CD2 4.27Å; F82-F106 HydrophobicContact CB-CE1 3.56Å; F82-F106 HydrophobicContact CB-CE2 3.7Å; F82-F106 HydrophobicContact CB-CZ 3.3Å; F82-F106 AromaticContact CD1-CD1 3.68Å; F82-F106 HydrophobicContact CD1-CD1 3.68Å; F82-F106 AromaticContact CD1-CE1 3.57Å; F82-F106 HydrophobicContact CD1-CE1 3.57Å; F82-F106 HydrophobicContact CD1-CG 4.41Å; F82-F106 HydrophobicContact CD1-CZ 4.25Å; F82-F106 HydrophobicContact CD2-CB 3.93Å; F82-F106 AromaticContact CD2-CD1 3.46Å; F82-F106 HydrophobicContact CD2-CD1 3.46Å; F82-F106 VanDerWaalsContact CD2-CD1 3.46Å; F82-F106 AromaticContact CD2-CD2 3.54Å; F82-F106 HydrophobicContact CD2-CD2 3.54Å; F82-F106 AromaticContact CD2-CE1 3.79Å; F82-F106 HydrophobicContact CD2-CE1 3.79Å; F82-F106 AromaticContact CD2-CE2 3.88Å; F82-F106 HydrophobicContact CD2-CE2 3.88Å; F82-F106 AromaticContact CD2-CG 3.33Å; F82-F106 HydrophobicContact CD2-CG 3.33Å; F82-F106 AromaticContact CD2-CZ 4Å; F82-F106 HydrophobicContact CD2-CZ 4Å; F82-F106 AromaticContact CE1-CD1 3.87Å; F82-F106 HydrophobicContact CE1-CD1 3.87Å; F82-F106 HydrophobicContact CE1-CE1 4.21Å; F82-F106 HydrophobicContact CE2-CB 3.58Å; F82-F106 AromaticContact CE2-CD1 3.65Å; F82-F106 HydrophobicContact CE2-CD1 3.65Å; F82-F106 HydrophobicContact CE2-CD2 4.12Å; F82-F106 HydrophobicContact CE2-CE1 4.38Å; F82-F106 AromaticContact CE2-CG 3.5Å; F82-F106 HydrophobicContact CE2-CG 3.5Å; F82-F106 AromaticContact CG-CD1 3.47Å; F82-F106 HydrophobicContact CG-CD1 3.47Å; F82-F106 VanDerWaalsContact CG-CD1 3.47Å; F82-F106 HydrophobicContact CG-CD2 4.03Å; F82-F106 AromaticContact CG-CE1 3.33Å; F82-F106 HydrophobicContact CG-CE1 3.33Å; F82-F106 AromaticContact CG-CE2 3.94Å; F82-F106 HydrophobicContact CG-CE2 3.94Å; F82-F106 AromaticContact CG-CG 3.83Å; F82-F106 HydrophobicContact CG-CG 3.83Å; F82-F106 AromaticContact CG-CZ 3.59Å; F82-F106 HydrophobicContact CG-CZ 3.59Å; F82-F106 HydrophobicContact CZ-CB 4.19Å; F82-F106 AromaticContact CZ-CD1 3.85Å; F82-F106 HydrophobicContact CZ-CD1 3.85Å; F82-F106 HydrophobicContact CZ-CG 4.13Å; H102-F106 WeakPolarHBondContact O-CB 3.39Å; H102-F106 PolarHBondContact O-N 3.37Å; L104-F106 VanDerWaalsContact C-N 3.34Å; L104-F106 PolarHBondContact O-N 3.23Å; F106-L108 PolarHBondContact O-N 3.14Å; F106-A109 PolarHBondContact O-N 3.14Å; F106-R110 HydrophobicContact CD1-CG 3.89Å; F106-R110 HydrophobicContact CD2-CG 4.49Å; F106-R110 HydrophobicContact CE1-CG 3.46Å; F106-R110 VanDerWaalsContact CE1-CG 3.46Å; F106-R110 HydrophobicContact CE2-CG 4.11Å; F106-R110 HydrophobicContact CG-CG 4.38Å; F106-R110 HydrophobicContact CZ-CG 3.58Å; F106-R110 WeakPolarHBondContact O-CB 3.48Å; F106-R110 VanDerWaalsContact O-CG 3.29Å; F106-R110 WeakPolarHBondContact O-CG 3.26Å; F106-R110 PolarHBondContact O-N 3.24Å; F106-A133 HydrophobicContact CD2-CB 4.07Å; F106-A133 VanDerWaalsContact CD2-O 3.22Å; F106-A133 WeakPolarHBondContact CD2-O 3.39Å; F106-A133 HydrophobicContact CE2-CB 4.16Å; F106-P136 HydrophobicContact CB-CG 3.93Å; F106-P136 HydrophobicContact CD2-CG 4.36Å; F106-C137 WeakPolarHBondContact CD2-SG 3.29Å; F106-C137 WeakPolarHBondContact CE2-SG 3.49Å
107F98.9Very high98.3Very high39 Ų3944.3 Ų44.317%0.17123%0.233CC..Hα-helixtrans-56.6-54.3-179.7171.2-107.7000112.5Y19 L22 L23 F103 L104 V105 A109 R110 V111Y19-F107 HydrophobicContact CD1-CB 3.75Å; Y19-F107 HydrophobicContact CD1-CD1 4.08Å; Y19-F107 AromaticContact CD1-CG 3.86Å; Y19-F107 HydrophobicContact CD1-CG 3.86Å; Y19-F107 HydrophobicContact CE1-CB 4.38Å; Y19-F107 HydrophobicContact CE1-CD1 4.2Å; Y19-F107 HydrophobicContact CE1-CG 4.42Å; L22-F107 HydrophobicContact CB-CD2 4.17Å; L22-F107 HydrophobicContact CB-CE2 3.62Å; L22-F107 HydrophobicContact CB-CZ 4.23Å; L22-F107 HydrophobicContact CD1-CE1 4.49Å; L22-F107 HydrophobicContact CD1-CE2 4.19Å; L22-F107 HydrophobicContact CD1-CZ 4.05Å; L23-F107 HydrophobicContact CD2-CD2 4.02Å; L23-F107 HydrophobicContact CG-CD2 4.05Å; F103-F107 VanDerWaalsContact O-CB 3.27Å; F103-F107 WeakPolarHBondContact O-CB 3.5Å; F103-F107 PolarHBondContact O-N 2.99Å; L104-F107 PolarHBondContact O-N 3.47Å; V105-F107 PolarHBondContact O-N 2.83Å; F107-A109 VanDerWaalsContact C-N 3.34Å; F107-A109 PolarHBondContact O-N 3.45Å; F107-R110 PolarHBondContact O-N 3.32Å; F107-V111 HydrophobicContact CD2-CG2 4.19Å; F107-V111 HydrophobicContact CE1-CG2 4.28Å; F107-V111 HydrophobicContact CE2-CG2 3.72Å; F107-V111 HydrophobicContact CZ-CG2 3.78Å; F107-V111 WeakPolarHBondContact O-CG2 3.46Å; F107-V111 PolarHBondContact O-N 3.32Å
108L98.8Very high98.2Very high95 Ų9539.9 Ų39.950%0.49720%0.204SC..Hα-helixtrans-62.1-42.6-178.6-68178.6000111.7L104 F106 R110 V111 L112L104-L108 HydrophobicContact CD1-CD1 3.83Å; L104-L108 HydrophobicContact CD1-CD2 4.47Å; L104-L108 HydrophobicContact CD1-CG 3.9Å; L104-L108 HydrophobicContact CG-CD1 3.98Å; L104-L108 HydrophobicContact CG-CG 4.38Å; L104-L108 WeakPolarHBondContact O-CG 3.18Å; L104-L108 PolarHBondContact O-N 3.17Å; F106-L108 PolarHBondContact O-N 3.14Å; L108-R110 PolarHBondContact O-N 3.45Å; L108-V111 PolarHBondContact O-N 2.89Å; L108-L112 WeakPolarHBondContact O-CB 3.35Å; L108-L112 PolarHBondContact O-N 3.47Å
109A98.8Very high98.1Very high8 Ų842.5 Ų42.57%0.06622%0.216CC..Hα-helixtrans-63.1-40.4177.600000111.9V105 F106 F107 L112 H113 A132 A133V105-A109 WeakPolarHBondContact O-CB 3.42Å; V105-A109 PolarHBondContact O-N 3.4Å; F106-A109 PolarHBondContact O-N 3.14Å; F107-A109 VanDerWaalsContact C-N 3.34Å; F107-A109 PolarHBondContact O-N 3.45Å; A109-L112 PolarHBondContact O-N 3.31Å; A109-H113 VanDerWaalsContact O-CB 3.26Å; A109-H113 WeakPolarHBondContact O-CB 3.42Å; A109-H113 PolarHBondContact O-N 3.44Å; A109-A132 HydrophobicContact CB-CB 4.16Å; A109-A133 HydrophobicContact CB-CB 3.73Å
110R98.7Very high97.9Very high0 Ų045.1 Ų45.10%024%0.237CC..Hα-helixtrans-69.7-35.1176.1-68.6-48-56.3176.51.4113.3L23 N74 D75 I79 F106 F107 L108 H113 S114 A133L23-R110 HydrophobicContact CD2-CB 3.85Å; L23-R110 HydrophobicContact CD2-CG 4.22Å; N74-R110 PolarHBondContact O-NH2 2.88Å; N74-R110 VanDerWaalsContact OD1-CZ 3.3Å; N74-R110 PolarHBondContact OD1-NH1 2.99Å; N74-R110 PolarHBondContact OD1-NH2 3.33Å; D75-R110 IonicContact OD1-CZ 2.79Å; D75-R110 IonicContact OD1-NE 3.92Å; D75-R110 IonicContact OD1-NH2 3.59Å; D75-R110 PolarHBondContact OD1-NH2 2.82Å; I79-R110 HydrophobicContact CG1-CG 4.48Å; F106-R110 HydrophobicContact CD1-CG 3.89Å; F106-R110 HydrophobicContact CD2-CG 4.49Å; F106-R110 HydrophobicContact CE1-CG 3.46Å; F106-R110 VanDerWaalsContact CE1-CG 3.46Å; F106-R110 HydrophobicContact CE2-CG 4.11Å; F106-R110 HydrophobicContact CG-CG 4.38Å; F106-R110 HydrophobicContact CZ-CG 3.58Å; F106-R110 WeakPolarHBondContact O-CB 3.48Å; F106-R110 VanDerWaalsContact O-CG 3.29Å; F106-R110 WeakPolarHBondContact O-CG 3.26Å; F106-R110 PolarHBondContact O-N 3.24Å; F107-R110 PolarHBondContact O-N 3.32Å; L108-R110 PolarHBondContact O-N 3.45Å; R110-H113 PolarHBondContact NH2-ND1 2.82Å; R110-S114 PolarHBondContact O-N 2.92Å; R110-S114 VanDerWaalsContact O-N 3.08Å; R110-S114 PolarHBondContact O-OG 3.38Å; R110-A133 HydrophobicContact CG-CB 4.24Å
111V98.7Very high97.8Very high45 Ų4542.9 Ų42.927%0.27324%0.235SC..Hα-helixtrans-63.4-51.6171.6171.40000109.9K26 F107 L108 H113 S114 L115K26-V111 HydrophobicContact CD-CG2 3.99Å; F107-V111 HydrophobicContact CD2-CG2 4.19Å; F107-V111 HydrophobicContact CE1-CG2 4.28Å; F107-V111 HydrophobicContact CE2-CG2 3.72Å; F107-V111 HydrophobicContact CZ-CG2 3.78Å; F107-V111 WeakPolarHBondContact O-CG2 3.46Å; F107-V111 PolarHBondContact O-N 3.32Å; L108-V111 PolarHBondContact O-N 2.89Å; V111-H113 VanDerWaalsContact C-N 3.31Å; V111-H113 PolarHBondContact O-N 3.29Å; V111-S114 WeakPolarHBondContact O-CB 3.27Å; V111-S114 PolarHBondContact O-N 3.03Å; V111-S114 VanDerWaalsContact O-N 3.14Å; V111-L115 HydrophobicContact CG1-CD1 4.08Å; V111-L115 HydrophobicContact CG1-CG 4.49Å; V111-L115 WeakPolarHBondContact O-CG 3.37Å; V111-L115 PolarHBondContact O-N 2.98Å
112L98.6Very high97.6Very high77 Ų7746 Ų4640%0.40325%0.246SC..Hα-helixtrans-58.6-42.5177.4178.960.9000111.9L108 A109 S114 L115 A116 T125 A129L108-L112 WeakPolarHBondContact O-CB 3.35Å; L108-L112 PolarHBondContact O-N 3.47Å; A109-L112 PolarHBondContact O-N 3.31Å; L112-S114 VanDerWaalsContact C-N 3.31Å; L112-S114 PolarHBondContact O-N 3.31Å; L112-L115 PolarHBondContact O-N 3.49Å; L112-A116 VanDerWaalsContact O-CB 3.29Å; L112-A116 WeakPolarHBondContact O-CB 3.48Å; L112-A116 PolarHBondContact O-N 3.08Å; L112-T125 HydrophobicContact CD1-CG2 4.24Å; L112-A129 HydrophobicContact CB-CB 4.18Å; L112-A129 HydrophobicContact CD2-CB 3.94Å; L112-A129 HydrophobicContact CG-CB 3.89Å
113H98.5Very high97.4Very high5 Ų549.5 Ų49.52%0.02328%0.279CS..Hα-helixtrans-59-43177-179.9-92.4000112N74 A109 R110 V111 A116 Y117 R126 A129N74-H113 PolarHBondContact OD1-CE1 2.85Å; A109-H113 VanDerWaalsContact O-CB 3.26Å; A109-H113 WeakPolarHBondContact O-CB 3.42Å; A109-H113 PolarHBondContact O-N 3.44Å; R110-H113 PolarHBondContact NH2-ND1 2.82Å; V111-H113 VanDerWaalsContact C-N 3.31Å; V111-H113 PolarHBondContact O-N 3.29Å; H113-A116 PolarHBondContact O-N 2.95Å; H113-Y117 AromaticContact CE1-CD2 3.36Å; H113-Y117 WeakPolarHBondContact CE1-CD2 3.14Å; H113-Y117 AromaticContact CE1-CE2 3.46Å; H113-Y117 VanDerWaalsContact CE1-CE2 3.46Å; H113-Y117 WeakPolarHBondContact CE1-CE2 3.33Å; H113-Y117 AromaticContact ND1-CD2 3.95Å; H113-Y117 AromaticContact NE2-CD2 3.83Å; H113-Y117 AromaticContact NE2-CE2 3.78Å; H113-Y117 PolarHBondContact O-N 3.22Å; H113-R126 PolarHBondContact CD2-O 3.22Å; H113-R126 WeakPolarHBondContact NE2-CG 3.46Å; H113-A129 HydrophobicContact CB-CB 3.95Å
114S98.1Very high97.3Very high6 Ų653.1 Ų53.14%0.04230%0.303CS..Hα-helixtrans-66-45.4178.4-53.40000111.3K26 R110 V111 L112 Y117 L118K26-S114 PolarHBondContact NZ-OG 2.86Å; R110-S114 PolarHBondContact O-N 2.92Å; R110-S114 VanDerWaalsContact O-N 3.08Å; R110-S114 PolarHBondContact O-OG 3.38Å; V111-S114 WeakPolarHBondContact O-CB 3.27Å; V111-S114 PolarHBondContact O-N 3.03Å; V111-S114 VanDerWaalsContact O-N 3.14Å; L112-S114 VanDerWaalsContact C-N 3.31Å; L112-S114 PolarHBondContact O-N 3.31Å; S114-Y117 WeakPolarHBondContact O-CB 3.29Å; S114-Y117 PolarHBondContact O-N 3.38Å; S114-L118 WeakPolarHBondContact O-CG 3.42Å; S114-L118 PolarHBondContact O-N 3.18Å
115L98.1Very high97.2Very high83 Ų8352.6 Ų52.644%0.43530%0.302SS..Hα-helixtrans-61.5-45.5175.8-67.1175.4000111.4V111 L112 Y117 L118 L119V111-L115 HydrophobicContact CG1-CD1 4.08Å; V111-L115 HydrophobicContact CG1-CG 4.49Å; V111-L115 WeakPolarHBondContact O-CG 3.37Å; V111-L115 PolarHBondContact O-N 2.98Å; L112-L115 PolarHBondContact O-N 3.49Å; L115-Y117 VanDerWaalsContact C-N 3.25Å; L115-Y117 PolarHBondContact O-N 3.38Å; L115-L118 PolarHBondContact O-N 2.83Å; L115-L119 VanDerWaalsContact O-CB 3.27Å; L115-L119 WeakPolarHBondContact O-CB 3.3Å; L115-L119 WeakPolarHBondContact O-CG 3.37Å; L115-L119 PolarHBondContact O-N 2.94Å
116A97.3Very high97.1Very high3 Ų354.8 Ų54.83%0.02530%0.304CS..Hα-helixtrans-58.7-39176.100000112.1L112 H113 A120 L121 T125 R126L112-A116 VanDerWaalsContact O-CB 3.29Å; L112-A116 WeakPolarHBondContact O-CB 3.48Å; L112-A116 PolarHBondContact O-N 3.08Å; H113-A116 PolarHBondContact O-N 2.95Å; A116-A120 PolarHBondContact O-N 3.32Å; A116-L121 HydrophobicContact CB-CB 4.25Å; A116-L121 HydrophobicContact CB-CD1 4.1Å; A116-L121 HydrophobicContact CB-CG 4.41Å; A116-L121 PolarHBondContact O-N 3.29Å; A116-L121 VanDerWaalsContact O-N 3.15Å; A116-T125 HydrophobicContact CB-CG2 4.13Å; A116-R126 HydrophobicContact CB-CB 3.88Å
117Y94.7Very high97Very high27 Ų2757.7 Ų57.711%0.10632%0.324CS..Hα-helixtrans-64.3-55.3174.9-118.1-63.2000112.3R67 R70 A71 H113 S114 L115 A120 R126R67-Y117 WeakPolarHBondContact CD-O 3.38Å; R67-Y117 HydrophobicContact CG-CD1 4.07Å; R67-Y117 WeakPolarHBondContact CG-O 3.34Å; R67-Y117 PolarHBondContact NH1-O 3.41Å; R70-Y117 HydrophobicContact CB-CE1 3.96Å; A71-Y117 HydrophobicContact CB-CD1 4.24Å; A71-Y117 HydrophobicContact CB-CD2 4.14Å; A71-Y117 HydrophobicContact CB-CG 3.82Å; H113-Y117 AromaticContact CE1-CD2 3.36Å; H113-Y117 WeakPolarHBondContact CE1-CD2 3.14Å; H113-Y117 AromaticContact CE1-CE2 3.46Å; H113-Y117 VanDerWaalsContact CE1-CE2 3.46Å; H113-Y117 WeakPolarHBondContact CE1-CE2 3.33Å; H113-Y117 AromaticContact ND1-CD2 3.95Å; H113-Y117 AromaticContact NE2-CD2 3.83Å; H113-Y117 AromaticContact NE2-CE2 3.78Å; H113-Y117 PolarHBondContact O-N 3.22Å; S114-Y117 WeakPolarHBondContact O-CB 3.29Å; S114-Y117 PolarHBondContact O-N 3.38Å; L115-Y117 VanDerWaalsContact C-N 3.25Å; L115-Y117 PolarHBondContact O-N 3.38Å; Y117-A120 PolarHBondContact O-N 3.21Å; Y117-R126 VanDerWaalsContact CD2-CD 3.46Å; Y117-R126 HydrophobicContact CD2-CG 4.05Å; Y117-R126 HydrophobicContact CE2-CG 4.25Å
118L95.5Very high96.9Very high21 Ų2161.1 Ų61.111%0.1134%0.344CS..Hα-helixtrans-72.7-35.4-171-65.2179.2000113.1I33 Y64 C68 S114 L115 A120I33-L118 HydrophobicContact CD1-CD1 4.13Å; Y64-L118 WeakPolarHBondContact CE2-O 3.47Å; Y64-L118 PolarHBondContact OH-O 2.98Å; C68-L118 HydrophobicContact CB-CD2 4.3Å; S114-L118 WeakPolarHBondContact O-CG 3.42Å; S114-L118 PolarHBondContact O-N 3.18Å; L115-L118 PolarHBondContact O-N 2.83Å; L118-A120 VanDerWaalsContact C-N 3.35Å
119L95.9Very high96.9Very high114 Ų11456.8 Ų56.860%0.59732%0.322SS*.THydrogen-bonded Turntrans-90.90.8179.5-57.1179.2000113.1L115 L121L115-L119 VanDerWaalsContact O-CB 3.27Å; L115-L119 WeakPolarHBondContact O-CB 3.3Å; L115-L119 WeakPolarHBondContact O-CG 3.37Å; L115-L119 PolarHBondContact O-N 2.94Å; L119-L121 VanDerWaalsContact C-N 3.25Å; L119-L121 HydrophobicContact CB-CD2 4.03Å; L119-L121 HydrophobicContact CB-CG 4.21Å; L119-L121 PolarHBondContact O-N 3.4Å
120A94.5Very high96.9Very high55 Ų5560.8 Ų60.846%0.45534%0.336SS..THydrogen-bonded Turntrans51.144.4-17800000112.9A116 Y117 L118A116-A120 PolarHBondContact O-N 3.32Å; Y117-A120 PolarHBondContact O-N 3.21Å; L118-A120 VanDerWaalsContact C-N 3.35Å
121L95.8Very high96.9Very high79 Ų7964.7 Ų64.741%0.41436%0.36SS..PPolyproline II helixtrans-59.2150.6177.2-60-175.8000110.6A116 L119 T125A116-L121 HydrophobicContact CB-CB 4.25Å; A116-L121 HydrophobicContact CB-CD1 4.1Å; A116-L121 HydrophobicContact CB-CG 4.41Å; A116-L121 PolarHBondContact O-N 3.29Å; A116-L121 VanDerWaalsContact O-N 3.15Å; L119-L121 VanDerWaalsContact C-N 3.25Å; L119-L121 HydrophobicContact CB-CD2 4.03Å; L119-L121 HydrophobicContact CB-CG 4.21Å; L119-L121 PolarHBondContact O-N 3.4Å; L121-T125 HydrophobicContact CD1-CG2 4.16Å
122Q95.8Very high96.9Very high172 Ų17264.5 Ų64.580%0.80436%0.363SS*.PPolyproline II helixtrans-59.3145.1-177.8-71-175.1-36.400111.6T125Q122-T125 WeakPolarHBondContact O-CB 3.42Å; Q122-T125 PolarHBondContact O-N 3.39Å; Q122-T125 VanDerWaalsContact O-N 3.15Å; Q122-T125 PolarHBondContact O-OG1 3.27Å; Q122-T125 VanDerWaalsContact O-OG1 3.07Å
123A93.9Very high96.9Very high96 Ų9660.8 Ų60.879%0.79334%0.344SS*.THydrogen-bonded Turntrans-63.6143.5169.600000109.3
124P96Very high96.9Very high76 Ų7662.9 Ų62.949%0.49435%0.354SS..THydrogen-bonded Turncis-101.32010.938.3-35.6000115.1R126 S127 L128P124-R126 VanDerWaalsContact C-N 3.33Å; P124-R126 PolarHBondContact O-N 3.41Å; P124-R126 VanDerWaalsContact O-N 3.15Å; P124-S127 PolarHBondContact O-N 3.39Å; P124-L128 HydrophobicContact CB-CD1 4.45Å; P124-L128 HydrophobicContact CB-CG 4.23Å; P124-L128 HydrophobicContact CG-CD1 3.8Å; P124-L128 HydrophobicContact CG-CG 4.11Å; P124-L128 PolarHBondContact O-N 2.95Å
125T96.8Very high96.9Very high49 Ų4967.1 Ų67.130%0.30138%0.379SS..Hα-helixtrans-50.4-47.3-169.5-54.80000113.8L112 A116 L121 Q122 L128 A129L112-T125 HydrophobicContact CD1-CG2 4.24Å; A116-T125 HydrophobicContact CB-CG2 4.13Å; L121-T125 HydrophobicContact CD1-CG2 4.16Å; Q122-T125 WeakPolarHBondContact O-CB 3.42Å; Q122-T125 PolarHBondContact O-N 3.39Å; Q122-T125 VanDerWaalsContact O-N 3.15Å; Q122-T125 PolarHBondContact O-OG1 3.27Å; Q122-T125 VanDerWaalsContact O-OG1 3.07Å; T125-L128 PolarHBondContact O-N 2.84Å; T125-A129 WeakPolarHBondContact O-CB 3.45Å; T125-A129 PolarHBondContact O-N 2.95Å
126R96.4Very high96.9Very high100 Ų10063.5 Ų63.538%0.37736%0.36SS..Hα-helixtrans-60.3-49.9177.5-178.1-169.263.3-165.3-0.3111.5H113 A116 Y117 P124 L128 A129 Y130H113-R126 PolarHBondContact CD2-O 3.22Å; H113-R126 WeakPolarHBondContact NE2-CG 3.46Å; A116-R126 HydrophobicContact CB-CB 3.88Å; Y117-R126 VanDerWaalsContact CD2-CD 3.46Å; Y117-R126 HydrophobicContact CD2-CG 4.05Å; Y117-R126 HydrophobicContact CE2-CG 4.25Å; P124-R126 VanDerWaalsContact C-N 3.33Å; P124-R126 PolarHBondContact O-N 3.41Å; P124-R126 VanDerWaalsContact O-N 3.15Å; R126-L128 VanDerWaalsContact C-N 3.34Å; R126-L128 PolarHBondContact O-N 3.2Å; R126-A129 PolarHBondContact O-N 3.13Å; R126-Y130 PolarHBondContact O-N 3.31Å
127S96.9Very high97Very high61 Ų6163.9 Ų63.943%0.42736%0.362SS..Hα-helixtrans-64.9-39.7-177-55.90000111.5P124 Y130 T131P124-S127 PolarHBondContact O-N 3.39Å; S127-Y130 WeakPolarHBondContact O-CB 3.44Å; S127-Y130 PolarHBondContact O-N 3.03Å; S127-T131 PolarHBondContact O-N 3.29Å; S127-T131 PolarHBondContact O-OG1 2.98Å; S127-T131 VanDerWaalsContact O-OG1 3.05Å
128L98.1Very high97.2Very high112 Ų11266.8 Ų66.859%0.58638%0.383SS*.Hα-helixtrans-63.9-43.5174.8-69.6179.1000112P124 T125 R126 Y130 T131 A132P124-L128 HydrophobicContact CB-CD1 4.45Å; P124-L128 HydrophobicContact CB-CG 4.23Å; P124-L128 HydrophobicContact CG-CD1 3.8Å; P124-L128 HydrophobicContact CG-CG 4.11Å; P124-L128 PolarHBondContact O-N 2.95Å; T125-L128 PolarHBondContact O-N 2.84Å; R126-L128 VanDerWaalsContact C-N 3.34Å; R126-L128 PolarHBondContact O-N 3.2Å; L128-Y130 VanDerWaalsContact C-N 3.31Å; L128-Y130 PolarHBondContact O-N 3.46Å; L128-T131 PolarHBondContact O-N 3.04Å; L128-A132 WeakPolarHBondContact O-CB 3.33Å; L128-A132 PolarHBondContact O-N 2.92Å
129A98.3Very high97.3Very high4 Ų467.7 Ų67.73%0.03339%0.391CS..Hα-helixtrans-62.8-38.6175.800000112L112 H113 T125 R126 A133L112-A129 HydrophobicContact CB-CB 4.18Å; L112-A129 HydrophobicContact CD2-CB 3.94Å; L112-A129 HydrophobicContact CG-CB 3.89Å; H113-A129 HydrophobicContact CB-CB 3.95Å; T125-A129 WeakPolarHBondContact O-CB 3.45Å; T125-A129 PolarHBondContact O-N 2.95Å; R126-A129 PolarHBondContact O-N 3.13Å; A129-A133 PolarHBondContact O-N 2.89Å; A129-A133 VanDerWaalsContact O-N 3.14Å
130Y98.4Very high97.5Very high91 Ų9162.2 Ų62.236%0.35736%0.362SS..Hα-helixtrans-60-52.4173.1173.3-92.6000111.5N78 R126 S127 L128 A132 A133 Q134N78-Y130 VanDerWaalsContact OD1-CE2 3.29Å; N78-Y130 WeakPolarHBondContact OD1-CE2 3.33Å; R126-Y130 PolarHBondContact O-N 3.31Å; S127-Y130 WeakPolarHBondContact O-CB 3.44Å; S127-Y130 PolarHBondContact O-N 3.03Å; L128-Y130 VanDerWaalsContact C-N 3.31Å; L128-Y130 PolarHBondContact O-N 3.46Å; Y130-A132 VanDerWaalsContact C-N 3.35Å; Y130-A132 PolarHBondContact O-N 2.89Å; Y130-A133 WeakPolarHBondContact O-CB 3.27Å; Y130-A133 PolarHBondContact O-N 3.31Å; Y130-Q134 HydrophobicContact CD1-CG 4.37Å; Y130-Q134 HydrophobicContact CE1-CG 3.92Å; Y130-Q134 WeakPolarHBondContact O-CG 3.42Å; Y130-Q134 PolarHBondContact O-N 3.42Å
131T98.2Very high97.7Very high82 Ų8261.1 Ų61.150%0.50335%0.353SS..Hα-helixtrans-61.3-43.5-179.4-55.40000111.4S127 L128 A133 Q134 V135S127-T131 PolarHBondContact O-N 3.29Å; S127-T131 PolarHBondContact O-OG1 2.98Å; S127-T131 VanDerWaalsContact O-OG1 3.05Å; L128-T131 PolarHBondContact O-N 3.04Å; T131-A133 VanDerWaalsContact C-N 3.26Å; T131-A133 PolarHBondContact O-N 3.03Å; T131-Q134 WeakPolarHBondContact O-CB 3.34Å; T131-Q134 PolarHBondContact O-N 3.47Å; T131-V135 PolarHBondContact O-N 3.32Å
132A98.5Very high97.8Very high41 Ų4160.8 Ų60.834%0.33935%0.354SS..Hα-helixtrans-59.6-36.2177.400000112.4A109 L128 Y130 Q134 P136A109-A132 HydrophobicContact CB-CB 4.16Å; L128-A132 WeakPolarHBondContact O-CB 3.33Å; L128-A132 PolarHBondContact O-N 2.92Å; Y130-A132 VanDerWaalsContact C-N 3.35Å; Y130-A132 PolarHBondContact O-N 2.89Å; A132-Q134 VanDerWaalsContact C-N 3.32Å; A132-P136 VanDerWaalsContact O-CD 3.25Å; A132-P136 WeakPolarHBondContact O-CD 3.37Å
133A98.6Very high97.9Very high0 Ų055.3 Ų55.30%033%0.329CS..Hα-helixtrans-69.1-28.1174.400000112.9F106 A109 R110 A129 Y130 T131 P136F106-A133 HydrophobicContact CD2-CB 4.07Å; F106-A133 VanDerWaalsContact CD2-O 3.22Å; F106-A133 WeakPolarHBondContact CD2-O 3.39Å; F106-A133 HydrophobicContact CE2-CB 4.16Å; A109-A133 HydrophobicContact CB-CB 3.73Å; R110-A133 HydrophobicContact CG-CB 4.24Å; A129-A133 PolarHBondContact O-N 2.89Å; A129-A133 VanDerWaalsContact O-N 3.14Å; Y130-A133 WeakPolarHBondContact O-CB 3.27Å; Y130-A133 PolarHBondContact O-N 3.31Å; T131-A133 VanDerWaalsContact C-N 3.26Å; T131-A133 PolarHBondContact O-N 3.03Å; A133-P136 WeakPolarHBondContact O-CD 3.34Å; A133-P136 WeakPolarHBondContact O-CG 3.48Å
134Q98.6Very high98.1Very high49 Ų4951.7 Ų51.723%0.22930%0.296CS..Hα-helixtrans-73-32.4179.4-60.4-43.1-58.900113N78 Y130 T131 A132 C137 V138N78-Q134 PolarHBondContact OD1-NE2 2.99Å; Y130-Q134 HydrophobicContact CD1-CG 4.37Å; Y130-Q134 HydrophobicContact CE1-CG 3.92Å; Y130-Q134 WeakPolarHBondContact O-CG 3.42Å; Y130-Q134 PolarHBondContact O-N 3.42Å; T131-Q134 WeakPolarHBondContact O-CB 3.34Å; T131-Q134 PolarHBondContact O-N 3.47Å; A132-Q134 VanDerWaalsContact C-N 3.32Å; Q134-C137 WeakPolarHBondContact O-CA 3.17Å; Q134-C137 WeakPolarHBondContact O-CB 3.4Å; Q134-C137 PolarHBondContact O-N 3.05Å; Q134-V138 WeakPolarHBondContact O-CG2 3.48Å; Q134-V138 PolarHBondContact O-N 3.32Å
135V98.7Very high98.2Very high95 Ų9553.8 Ų53.858%0.57630%0.302SS*.Hα-helixtrans-50.5-53.7-178176.40000112.7T131 C137 V138 S139T131-V135 PolarHBondContact O-N 3.32Å; V135-C137 VanDerWaalsContact C-N 3.32Å; V135-C137 PolarHBondContact O-N 3.26Å; V135-V138 PolarHBondContact O-N 3.28Å; V135-S139 WeakPolarHBondContact O-CB 3.36Å; V135-S139 PolarHBondContact O-N 3.15Å
136P98.6Very high98.1Very high7 Ų757.5 Ų57.55%0.04532%0.318CS..Hα-helixtrans-66.1-32176.925.4-34.7000113.2H102 V105 F106 A132 A133 S139 M140H102-P136 HydrophobicContact CB-CB 3.89Å; V105-P136 HydrophobicContact CG1-CG 4.24Å; F106-P136 HydrophobicContact CB-CG 3.93Å; F106-P136 HydrophobicContact CD2-CG 4.36Å; A132-P136 VanDerWaalsContact O-CD 3.25Å; A132-P136 WeakPolarHBondContact O-CD 3.37Å; A133-P136 WeakPolarHBondContact O-CD 3.34Å; A133-P136 WeakPolarHBondContact O-CG 3.48Å; P136-S139 PolarHBondContact O-N 2.97Å; P136-M140 WeakPolarHBondContact O-CB 3.43Å; P136-M140 VanDerWaalsContact O-CG 3.31Å; P136-M140 WeakPolarHBondContact O-CG 3.45Å; P136-M140 PolarHBondContact O-N 3.49Å
137C98.7Very high98.1Very high10 Ų1055.4 Ų55.47%0.06832%0.319CS..Hα-helixtrans-65.8-47.3177.9-63.90000111.8L85 F106 Q134 V135 S139 M140 A141L85-C137 HydrophobicContact CD1-CB 4.08Å; F106-C137 WeakPolarHBondContact CD2-SG 3.29Å; F106-C137 WeakPolarHBondContact CE2-SG 3.49Å; Q134-C137 WeakPolarHBondContact O-CA 3.17Å; Q134-C137 WeakPolarHBondContact O-CB 3.4Å; Q134-C137 PolarHBondContact O-N 3.05Å; V135-C137 VanDerWaalsContact C-N 3.32Å; V135-C137 PolarHBondContact O-N 3.26Å; C137-S139 VanDerWaalsContact C-N 3.33Å; C137-S139 PolarHBondContact O-N 3.47Å; C137-M140 PolarHBondContact O-N 2.92Å; C137-A141 WeakPolarHBondContact O-CB 3.44Å; C137-A141 PolarHBondContact O-N 3.28Å
138V98.8Very high98Very high88 Ų8855.9 Ų55.953%0.53332%0.318SS..Hα-helixtrans-61.8-44.7176.71750000110.3Q134 V135 M140 A141 V142Q134-V138 WeakPolarHBondContact O-CG2 3.48Å; Q134-V138 PolarHBondContact O-N 3.32Å; V135-V138 PolarHBondContact O-N 3.28Å; V138-M140 PolarHBondContact O-N 3.07Å; V138-A141 PolarHBondContact O-N 2.92Å; V138-V142 HydrophobicContact CG1-CG2 4.43Å; V138-V142 WeakPolarHBondContact O-CG2 3.46Å; V138-V142 PolarHBondContact O-N 3.12Å
139S98.6Very high97.8Very high40 Ų4053.4 Ų53.428%0.2831%0.314SS..Hα-helixtrans-57.7-48.4176.3176.90000112.7H102 V135 P136 C137 V142 Q143H102-S139 WeakPolarHBondContact NE2-CB 3.45Å; H102-S139 PolarHBondContact NE2-OG 2.68Å; V135-S139 WeakPolarHBondContact O-CB 3.36Å; V135-S139 PolarHBondContact O-N 3.15Å; P136-S139 PolarHBondContact O-N 2.97Å; C137-S139 VanDerWaalsContact C-N 3.33Å; C137-S139 PolarHBondContact O-N 3.47Å; S139-V142 PolarHBondContact O-N 2.99Å; S139-Q143 WeakPolarHBondContact O-CG 3.47Å; S139-Q143 PolarHBondContact O-N 3.15Å; S139-Q143 PolarHBondContact O-NE2 3.25Å; S139-Q143 PolarHBondContact OG-NE2 3.4Å
140M98.6Very high97.5Very high0 Ų058 Ų580%035%0.346CS..Hα-helixtrans-63.2-43.5176.8-72.1-174-61.800111.6F82 L85 Y89 H102 F103 P136 C137 V138 V142 Q143 I144F82-M140 HydrophobicContact CD2-CE 3.69Å; F82-M140 HydrophobicContact CE2-CE 3.77Å; L85-M140 HydrophobicContact CB-CE 4.12Å; Y89-M140 HydrophobicContact CD1-CG 3.74Å; Y89-M140 HydrophobicContact CD1-SD 3.71Å; Y89-M140 HydrophobicContact CD2-CB 4.19Å; Y89-M140 HydrophobicContact CD2-CG 4Å; Y89-M140 HydrophobicContact CE1-CG 4.13Å; Y89-M140 HydrophobicContact CE1-SD 4.45Å; Y89-M140 HydrophobicContact CE2-CG 4.37Å; Y89-M140 HydrophobicContact CG-CB 4.13Å; Y89-M140 HydrophobicContact CG-CG 3.66Å; Y89-M140 HydrophobicContact CG-SD 3.9Å; H102-M140 HydrophobicContact CB-SD 4.42Å; F103-M140 HydrophobicContact CD1-SD 4.43Å; F103-M140 HydrophobicContact CE1-SD 3.86Å; P136-M140 WeakPolarHBondContact O-CB 3.43Å; P136-M140 VanDerWaalsContact O-CG 3.31Å; P136-M140 WeakPolarHBondContact O-CG 3.45Å; P136-M140 PolarHBondContact O-N 3.49Å; C137-M140 PolarHBondContact O-N 2.92Å; V138-M140 PolarHBondContact O-N 3.07Å; M140-V142 PolarHBondContact O-N 3.15Å; M140-Q143 PolarHBondContact O-N 3.43Å; M140-I144 WeakPolarHBondContact O-CB 3.5Å; M140-I144 WeakPolarHBondContact O-CD1 3.46Å; M140-I144 WeakPolarHBondContact O-CG1 3.3Å; M140-I144 PolarHBondContact O-N 3.21Å
141A98.6Very high97.2Very high31 Ų3162 Ų6226%0.25637%0.366SS..Hα-helixtrans-59.9-45.917900000112L85 C137 V138 I144 L145L85-A141 HydrophobicContact CD1-CB 4.37Å; L85-A141 HydrophobicContact CD2-CB 4.04Å; C137-A141 WeakPolarHBondContact O-CB 3.44Å; C137-A141 PolarHBondContact O-N 3.28Å; V138-A141 PolarHBondContact O-N 2.92Å; A141-I144 PolarHBondContact O-N 3.43Å; A141-L145 WeakPolarHBondContact O-CG 3.38Å; A141-L145 PolarHBondContact O-N 3.31Å
142V98.4Very high96.5Very high72 Ų7265.3 Ų65.344%0.43640%0.401SS..Hα-helixtrans-62.8-44.4176.9172.20000111V138 S139 M140 L145 M146V138-V142 HydrophobicContact CG1-CG2 4.43Å; V138-V142 WeakPolarHBondContact O-CG2 3.46Å; V138-V142 PolarHBondContact O-N 3.12Å; S139-V142 PolarHBondContact O-N 2.99Å; M140-V142 PolarHBondContact O-N 3.15Å; V142-L145 PolarHBondContact O-N 2.9Å; V142-M146 HydrophobicContact CG1-CE 3.96Å; V142-M146 HydrophobicContact CG1-SD 4.27Å; V142-M146 WeakPolarHBondContact O-CG 3.39Å; V142-M146 PolarHBondContact O-N 2.82Å
143Q97.9Very high96.4Very high58 Ų5866.5 Ų66.527%0.27140%0.404SS..Hα-helixtrans-64.2-40.9177.7-74.5174.475.100112.9Y89 S139 M140 M146 S147Y89-Q143 HydrophobicContact CD2-CB 4.37Å; Y89-Q143 HydrophobicContact CE2-CB 3.93Å; Y89-Q143 HydrophobicContact CE2-CG 4.43Å; Y89-Q143 VanDerWaalsContact CE2-OE1 3.28Å; Y89-Q143 PolarHBondContact OH-OE1 3.26Å; S139-Q143 WeakPolarHBondContact O-CG 3.47Å; S139-Q143 PolarHBondContact O-N 3.15Å; S139-Q143 PolarHBondContact O-NE2 3.25Å; S139-Q143 PolarHBondContact OG-NE2 3.4Å; M140-Q143 PolarHBondContact O-N 3.43Å; Q143-M146 HydrophobicContact CB-CE 4.48Å; Q143-M146 HydrophobicContact CG-CE 4.06Å; Q143-M146 PolarHBondContact O-N 2.88Å; Q143-S147 WeakPolarHBondContact O-CB 3.5Å; Q143-S147 PolarHBondContact O-N 3.04Å
144I98Very high96.3Very high20 Ų2070 Ų7010%0.10343%0.425CS..Hα-helixtrans-60.5-50174.3-70162.6000109.7L85 V88 Y89 T92 M140 A141 M146 S147 V148L85-I144 HydrophobicContact CD2-CD1 3.91Å; V88-I144 HydrophobicContact CB-CD1 3.96Å; V88-I144 HydrophobicContact CG1-CD1 3.88Å; V88-I144 HydrophobicContact CG1-CG1 4.02Å; V88-I144 HydrophobicContact CG1-CG2 3.82Å; Y89-I144 HydrophobicContact CD2-CG1 4.45Å; T92-I144 HydrophobicContact CG2-CG1 4.18Å; M140-I144 WeakPolarHBondContact O-CB 3.5Å; M140-I144 WeakPolarHBondContact O-CD1 3.46Å; M140-I144 WeakPolarHBondContact O-CG1 3.3Å; M140-I144 PolarHBondContact O-N 3.21Å; A141-I144 PolarHBondContact O-N 3.43Å; I144-M146 PolarHBondContact O-N 3.06Å; I144-S147 WeakPolarHBondContact O-CB 3.5Å; I144-S147 PolarHBondContact O-N 2.88Å; I144-S147 VanDerWaalsContact O-N 3.11Å; I144-V148 WeakPolarHBondContact O-CG2 3.22Å; I144-V148 PolarHBondContact O-N 3.09Å; I144-V148 VanDerWaalsContact O-N 3.13Å
145L98.1Very high96.2Very high119 Ų11971.2 Ų71.262%0.62344%0.436SS*.Hα-helixtrans-57.6-47.7178.8-74.3173.8000111.5A141 V142 S147 V148 A149A141-L145 WeakPolarHBondContact O-CG 3.38Å; A141-L145 PolarHBondContact O-N 3.31Å; V142-L145 PolarHBondContact O-N 2.9Å; L145-S147 VanDerWaalsContact C-N 3.29Å; L145-S147 PolarHBondContact O-N 3.12Å; L145-V148 PolarHBondContact O-N 2.96Å; L145-A149 WeakPolarHBondContact O-CA 3.36Å; L145-A149 VanDerWaalsContact O-CB 3.29Å; L145-A149 WeakPolarHBondContact O-CB 3.34Å; L145-A149 PolarHBondContact O-N 3.12Å
146M96.3Very high96Very high127 Ų12769.8 Ų69.863%0.62643%0.428SS*.Hα-helixtrans-60.3-38.5176.4-69.8-174.1-57.700112.5V142 Q143 I144 V148V142-M146 HydrophobicContact CG1-CE 3.96Å; V142-M146 HydrophobicContact CG1-SD 4.27Å; V142-M146 WeakPolarHBondContact O-CG 3.39Å; V142-M146 PolarHBondContact O-N 2.82Å; Q143-M146 HydrophobicContact CB-CE 4.48Å; Q143-M146 HydrophobicContact CG-CE 4.06Å; Q143-M146 PolarHBondContact O-N 2.88Å; I144-M146 PolarHBondContact O-N 3.06Å; M146-V148 VanDerWaalsContact C-N 3.26Å; M146-V148 PolarHBondContact O-N 2.96Å
147S95.1Very high95.9Very high57 Ų5773.7 Ų73.740%0.39945%0.452SS..Hα-helixtrans-67.1-25.7179.1-175.50000113.5Q143 I144 L145Q143-S147 WeakPolarHBondContact O-CB 3.5Å; Q143-S147 PolarHBondContact O-N 3.04Å; I144-S147 WeakPolarHBondContact O-CB 3.5Å; I144-S147 PolarHBondContact O-N 2.88Å; I144-S147 VanDerWaalsContact O-N 3.11Å; L145-S147 VanDerWaalsContact C-N 3.29Å; L145-S147 PolarHBondContact O-N 3.12Å
148V95.4Very high95.7Very high70 Ų7077.9 Ų77.942%0.42448%0.478SS..Hα-helixtrans-112.3-4-177.3-53.90000113.5I144 L145 M146 S150 F151I144-V148 WeakPolarHBondContact O-CG2 3.22Å; I144-V148 PolarHBondContact O-N 3.09Å; I144-V148 VanDerWaalsContact O-N 3.13Å; L145-V148 PolarHBondContact O-N 2.96Å; M146-V148 VanDerWaalsContact C-N 3.26Å; M146-V148 PolarHBondContact O-N 2.96Å; V148-S150 PolarHBondContact O-N 3.11Å; V148-S150 VanDerWaalsContact O-N 3.14Å; V148-F151 PolarHBondContact O-N 3.09Å
149A94.3Very high95.5Very high60 Ų6077.2 Ų77.250%0.49647%0.474SS..G310 helixtrans-57.5-32.4-173.500000113.5L145 F151 A152L145-A149 WeakPolarHBondContact O-CA 3.36Å; L145-A149 VanDerWaalsContact O-CB 3.29Å; L145-A149 WeakPolarHBondContact O-CB 3.34Å; L145-A149 PolarHBondContact O-N 3.12Å; A149-F151 PolarHBondContact O-N 3.09Å; A149-A152 PolarHBondContact O-N 2.96Å
150S91.3Very high95.2Very high101 Ų10180.1 Ų80.171%0.70649%0.489SS*.G310 helixtrans-71-9.7178.658.70000114.4V148V148-S150 PolarHBondContact O-N 3.11Å; V148-S150 VanDerWaalsContact O-N 3.14Å
151F92.4Very high95Very high176 Ų17686.8 Ų86.877%0.77253%0.529SS*.G310 helixtrans-104-0-178.5-59.4-79.5000113.7V148 A149V148-F151 PolarHBondContact O-N 3.09Å; A149-F151 PolarHBondContact O-N 3.09Å
152A83.9Confident94.6Very high150 Ų15091.8 Ų91.8100%1.2455%0.554SS**  trans-96.10176.500000110.8A149A149-A152 PolarHBondContact O-N 2.96Å

Retrieved 152 of 152 residues in 129.4 ms (Link to these results)

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