A0A087XYJ1_POEFO Loading...

Peroxiredoxin-6

Thiol-specific peroxidase that catalyzes the reduction of hydrogen peroxide and organic hydroperoxides to water and alcohols, respectively.

AlphaFold DB , UniProt , Accession A0A087XYJ1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 234 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
1M49Very low89.4Confident181 Ų18178.4 Ų78.489%0.89245%0.452SS*.  0146.50-72.4-175.5-75.600107.1
2P71.6Confident90.1Very high114 Ų11477.9 Ų77.974%0.7445%0.447SS*.  trans-57.1143.7167.627.1-31.5000108.4
3G85.9Confident90.6Very high29 Ų2976.7 Ų76.730%0.29943%0.433SS..  trans-64.1179.717300000111.8
4L94Very high91.1Very high23 Ų2380.6 Ų80.612%0.1245%0.446CS..PPolyproline II helixtrans-67.2132.6-178-161.768000111.4D8 L10 L114 F135 L143L4-D8 HydrophobicContact CD1-CB 3.39Å; L4-D8 HydrophobicContact CG-CB 3.93Å; L4-L10 HydrophobicContact CD2-CD1 4.39Å; L4-L114 HydrophobicContact CB-CD2 4.33Å; L4-L114 HydrophobicContact CD2-CD2 4.14Å; L4-F135 HydrophobicContact CB-CE1 4.3Å; L4-F135 HydrophobicContact CD2-CD1 4.43Å; L4-L143 HydrophobicContact CB-CD2 4.08Å; L4-L143 HydrophobicContact CD2-CB 3.79Å; L4-L143 HydrophobicContact CD2-CD1 4.27Å; L4-L143 HydrophobicContact CD2-CD2 3.96Å; L4-L143 HydrophobicContact CD2-CG 4.21Å; L4-L143 HydrophobicContact CG-CB 4.14Å; L4-L143 HydrophobicContact CG-CD2 3.89Å
5L97Very high91.6Very high112 Ų11275.9 Ų75.959%0.58642%0.421SS*.PPolyproline II helixtrans-99.1161.5175.5-57.3179000111.5G7 D8 L143L5-G7 PolarHBondContact O-N 3.1Å; L5-D8 WeakPolarHBondContact CA-OD2 3.08Å; L5-D8 WeakPolarHBondContact CB-OD2 3.18Å; L5-D8 PolarHBondContact N-OD2 3.18Å; L5-D8 VanDerWaalsContact O-CB 3.29Å; L5-D8 WeakPolarHBondContact O-CB 3.36Å; L5-D8 PolarHBondContact O-N 3.44Å; L5-L143 WeakPolarHBondContact O-CD2 3.34Å
6L98.1Very high92Very high122 Ų12278.2 Ų78.264%0.63943%0.427SS*.THydrogen-bonded Turntrans-59.1130.1176.9-65.6179.3000110.7D8 L143 K144L6-D8 VanDerWaalsContact C-N 3.31Å; L6-L143 HydrophobicContact CD2-CD2 4.41Å; L6-L143 HydrophobicContact CD2-CG 4.28Å; L6-K144 WeakPolarHBondContact CD2-O 3.44Å
7G97.7Very high92.4Very high46 Ų4673.7 Ų73.747%0.47440%0.403SS..THydrogen-bonded Turntrans87-11.5-176.600000114.8L5 T142 L143L5-G7 PolarHBondContact O-N 3.1Å; G7-T142 WeakPolarHBondContact O-CG2 3.44Å; G7-L143 PolarHBondContact N-O 3.21Å
8D98.1Very high92.6Very high68 Ų6871.6 Ų71.636%0.36439%0.393SS..PPolyproline II helixtrans-66.8141.7173.3-69.4-14.2000110.3L4 L5 L6 T142 L143L4-D8 HydrophobicContact CD1-CB 3.39Å; L4-D8 HydrophobicContact CG-CB 3.93Å; L5-D8 WeakPolarHBondContact CA-OD2 3.08Å; L5-D8 WeakPolarHBondContact CB-OD2 3.18Å; L5-D8 PolarHBondContact N-OD2 3.18Å; L5-D8 VanDerWaalsContact O-CB 3.29Å; L5-D8 WeakPolarHBondContact O-CB 3.36Å; L5-D8 PolarHBondContact O-N 3.44Å; L6-D8 VanDerWaalsContact C-N 3.31Å; D8-T142 CarbonylContact O-C 3.5Å; D8-T142 VanDerWaalsContact O-CA 3.25Å; D8-T142 WeakPolarHBondContact O-CA 3.5Å; D8-L143 PolarHBondContact O-N 2.9Å
9E98Very high92.8Very high125 Ų12572.2 Ų72.258%0.58441%0.408SS*.BIsolated β-bridgetrans-70.1132173.4-168.7177.617300110.4P11 H25 K141E9-P11 WeakPolarHBondContact O-CD 3.37Å; E9-H25 IonicContact OE1-CE1 3.47Å; E9-H25 PolarHBondContact OE1-CE1 2.69Å; E9-K141 HydrophobicContact CG-CB 4.16Å
10L97.9Very high93Very high2 Ų270.3 Ų70.31%0.0141%0.405CS..PPolyproline II helixtrans-58.8127.4173.7-179.472.5000108.9L4 N12 L24 H25 F28 L114 I137 K141L4-L10 HydrophobicContact CD2-CD1 4.39Å; L10-N12 PolarHBondContact O-N 3.12Å; L10-L24 HydrophobicContact CD2-CB 4.07Å; L10-L24 HydrophobicContact CD2-CD1 4.23Å; L10-L24 HydrophobicContact CG-CD1 4.49Å; L10-H25 PolarHBondContact O-NE2 2.99Å; L10-F28 HydrophobicContact CD2-CD2 3.95Å; L10-F28 HydrophobicContact CD2-CE2 3.62Å; L10-L114 HydrophobicContact CD1-CD1 4.38Å; L10-L114 HydrophobicContact CD1-CD2 4.23Å; L10-I137 HydrophobicContact CB-CD1 4.35Å; L10-I137 HydrophobicContact CB-CG2 4.31Å; L10-I137 HydrophobicContact CD1-CD1 4.13Å; L10-I137 HydrophobicContact CD2-CG1 4.27Å; L10-I137 HydrophobicContact CD2-CG2 4.43Å; L10-K141 WeakPolarHBondContact CB-O 3.49Å; L10-K141 PolarHBondContact N-O 3.43Å
11P96.4Very high93.3Very high40 Ų4070.7 Ų70.726%0.2641%0.409SS..PPolyproline II helixtrans-57.7129.8174.1-26.435.9000112.1E9 F13 L114E9-P11 WeakPolarHBondContact O-CD 3.37Å; P11-F13 VanDerWaalsContact C-N 3.27Å; P11-F13 HydrophobicContact CB-CD2 3.56Å; P11-F13 HydrophobicContact CB-CE2 3.54Å; P11-F13 PolarHBondContact O-N 3.46Å; P11-L114 HydrophobicContact CG-CD2 4.18Å
12N97.2Very high95.6Very high73 Ų7363.8 Ų63.839%0.3938%0.377SS..  trans-82.865.3-176.8-164.413.4000112.7L10 H25L10-N12 PolarHBondContact O-N 3.12Å; N12-H25 VanDerWaalsContact OD1-CB 3.31Å; N12-H25 WeakPolarHBondContact OD1-CB 3.22Å; N12-H25 PolarHBondContact OD1-N 2.97Å
13F96.6Very high96.9Very high62 Ų6262.1 Ų62.127%0.27236%0.358SS..  trans-70.7143.9178.3-84.3-118.9000111.3P11 V15 K23 L24 E109 L110 A113P11-F13 VanDerWaalsContact C-N 3.27Å; P11-F13 HydrophobicContact CB-CD2 3.56Å; P11-F13 HydrophobicContact CB-CE2 3.54Å; P11-F13 PolarHBondContact O-N 3.46Å; F13-V15 HydrophobicContact CB-CG1 3.96Å; F13-K23 WeakPolarHBondContact O-CA 3.11Å; F13-L24 HydrophobicContact CB-CD1 4.08Å; F13-L24 PolarHBondContact O-N 2.8Å; F13-E109 HydrophobicContact CE1-CB 4.11Å; F13-L110 HydrophobicContact CB-CD1 4.4Å; F13-L110 HydrophobicContact CD1-CB 4.48Å; F13-L110 HydrophobicContact CD1-CD1 4.36Å; F13-L110 HydrophobicContact CD2-CD1 4.13Å; F13-L110 HydrophobicContact CG-CD1 4.04Å; F13-A113 HydrophobicContact CE2-CB 4.24Å; F13-A113 HydrophobicContact CZ-CB 3.99Å
14E98.1Very high97.5Very high131 Ų13160.7 Ų60.761%0.61234%0.343SS*.EExtended strand (participates in β ladder)trans-86.8121.9160.8-171.5171.8163.700108T21 V22 K23E14-T21 HydrophobicContact CG-CG2 3.6Å; E14-T21 WeakPolarHBondContact OE1-CG2 3.5Å; E14-V22 WeakPolarHBondContact CA-O 3.43Å; E14-K23 HydrophobicContact CB-CG 4.01Å; E14-K23 HydrophobicContact CG-CG 4.23Å
15V97.9Very high97.7Very high11 Ų1161 Ų617%0.06734%0.344CS..EExtended strand (participates in β ladder)trans-128.1141.5-171.5-68.20000111.2F13 T17 T21 V22 L24 I103 L110F13-V15 HydrophobicContact CB-CG1 3.96Å; V15-T17 HydrophobicContact CG2-CG2 3.97Å; V15-T21 WeakPolarHBondContact O-CA 3.47Å; V15-V22 HydrophobicContact CG2-CG2 3.83Å; V15-V22 WeakPolarHBondContact CG2-O 3.45Å; V15-V22 PolarHBondContact N-O 2.91Å; V15-V22 PolarHBondContact O-N 3Å; V15-L24 HydrophobicContact CG2-CD2 3.95Å; V15-L24 HydrophobicContact CG2-CG 4.36Å; V15-I103 HydrophobicContact CB-CG1 4.35Å; V15-I103 HydrophobicContact CB-CG2 3.93Å; V15-I103 HydrophobicContact CG1-CG2 4.13Å; V15-I103 HydrophobicContact CG2-CD1 4.18Å; V15-I103 HydrophobicContact CG2-CG1 4.04Å; V15-L110 HydrophobicContact CG1-CD2 3.9Å
16E98.3Very high97.7Very high112 Ų11262 Ų6252%0.52335%0.346SS..EExtended strand (participates in β ladder)trans-82.4131.5169.5-68.5-170.9165.200110I103 A104E16-I103 WeakPolarHBondContact O-CA 3.36Å; E16-A104 PolarHBondContact O-N 3.39Å
17T98.4Very high97.8Very high2 Ų258.7 Ų58.71%0.01233%0.325CS..EExtended strand (participates in β ladder)trans-135.3166.2-179.283.80000112.2V15 A19 G20 V22 I68 L75 P101 I102 I103V15-T17 HydrophobicContact CG2-CG2 3.97Å; T17-A19 PolarHBondContact O-N 3.37Å; T17-A19 VanDerWaalsContact O-N 3.12Å; T17-A19 PolarHBondContact OG1-N 3.01Å; T17-G20 WeakPolarHBondContact CB-O 3.44Å; T17-G20 PolarHBondContact N-O 3.34Å; T17-G20 VanDerWaalsContact N-O 3.14Å; T17-G20 PolarHBondContact O-N 3.47Å; T17-G20 PolarHBondContact OG1-N 2.86Å; T17-G20 PolarHBondContact OG1-O 2.86Å; T17-V22 HydrophobicContact CG2-CG2 3.94Å; T17-I68 HydrophobicContact CG2-CD1 4.27Å; T17-L75 WeakPolarHBondContact O-CD1 3.46Å; T17-P101 HydrophobicContact CG2-CB 4.48Å; T17-I102 CarbonylContact C-O 3.59Å; T17-I102 WeakPolarHBondContact CA-O 3.48Å; T17-I103 HydrophobicContact CG2-CG1 3.83Å
18T97.3Very high97.8Very high36 Ų3656.5 Ų56.522%0.22130%0.303CS..THydrogen-bonded Turntrans-55.9-25.3173.849.90000113.8L75 H78 R79 P101 I102T18-L75 HydrophobicContact CG2-CD1 4.09Å; T18-H78 HydrophobicContact CG2-CB 3.53Å; T18-R79 HydrophobicContact CG2-CG 4.31Å; T18-P101 WeakPolarHBondContact OG1-CA 3.36Å; T18-I102 HydrophobicContact CG2-CB 4.1Å; T18-I102 HydrophobicContact CG2-CG1 4.42Å; T18-I102 PolarHBondContact N-O 3.05Å; T18-I102 PolarHBondContact OG1-N 2.89Å
19A96Very high97.8Very high83 Ų8354.3 Ų54.369%0.68630%0.296SS*.THydrogen-bonded Turntrans-99.112177.300000113.9T17 P101T17-A19 PolarHBondContact O-N 3.37Å; T17-A19 VanDerWaalsContact O-N 3.12Å; T17-A19 PolarHBondContact OG1-N 3.01Å; A19-P101 HydrophobicContact CB-CB 4.01Å
20G97.3Very high97.8Very high33 Ų3355.2 Ų55.234%0.3431%0.305SS..EExtended strand (participates in β ladder)trans105.8179-177.700000113.6T17T17-G20 WeakPolarHBondContact CB-O 3.44Å; T17-G20 PolarHBondContact N-O 3.34Å; T17-G20 VanDerWaalsContact N-O 3.14Å; T17-G20 PolarHBondContact O-N 3.47Å; T17-G20 PolarHBondContact OG1-N 2.86Å; T17-G20 PolarHBondContact OG1-O 2.86Å
21T98.3Very high97.8Very high80 Ų8055.7 Ų55.749%0.49131%0.308SS..EExtended strand (participates in β ladder)trans-78.6130.4179.9-54.40000110.4E14 V15E14-T21 HydrophobicContact CG-CG2 3.6Å; E14-T21 WeakPolarHBondContact OE1-CG2 3.5Å; V15-T21 WeakPolarHBondContact O-CA 3.47Å
22V97.6Very high97.9Very high36 Ų3654.9 Ų54.922%0.21830%0.3CS..EExtended strand (participates in β ladder)trans-137.6151.3-180-59.70000110.9E14 V15 T17 Y27E14-V22 WeakPolarHBondContact CA-O 3.43Å; V15-V22 HydrophobicContact CG2-CG2 3.83Å; V15-V22 WeakPolarHBondContact CG2-O 3.45Å; V15-V22 PolarHBondContact N-O 2.91Å; V15-V22 PolarHBondContact O-N 3Å; T17-V22 HydrophobicContact CG2-CG2 3.94Å; V22-Y27 HydrophobicContact CG1-CD2 4.5Å; V22-Y27 HydrophobicContact CG2-CD2 4.38Å; V22-Y27 HydrophobicContact CG2-CG 4.39Å
23K98.4Very high98Very high78 Ų7851.4 Ų51.434%0.33928%0.282SS..EExtended strand (participates in β ladder)trans-88.5134.8161.6-74.2-175.9-175.7169.40110F13 E14 H25 E26 Y27F13-K23 WeakPolarHBondContact O-CA 3.11Å; E14-K23 HydrophobicContact CB-CG 4.01Å; E14-K23 HydrophobicContact CG-CG 4.23Å; K23-H25 VanDerWaalsContact C-N 3.3Å; K23-H25 PolarHBondContact O-N 3.14Å; K23-E26 HydrophobicContact CB-CB 4.25Å; K23-E26 HydrophobicContact CB-CG 4.09Å; K23-E26 WeakPolarHBondContact CD-OE1 3.4Å; K23-E26 PolarHBondContact O-N 3Å; K23-E26 VanDerWaalsContact O-N 3.09Å; K23-Y27 WeakPolarHBondContact O-CB 3.41Å; K23-Y27 PolarHBondContact O-N 2.98Å
24L98.3Very high98.1Very high0 Ų048.5 Ų48.50%027%0.269CS..Hα-helixtrans-56.8-41.2-172.8-70.9177.3000113L10 F13 V15 Y27 F28 L35 I68 I103 L110L10-L24 HydrophobicContact CD2-CB 4.07Å; L10-L24 HydrophobicContact CD2-CD1 4.23Å; L10-L24 HydrophobicContact CG-CD1 4.49Å; F13-L24 HydrophobicContact CB-CD1 4.08Å; F13-L24 PolarHBondContact O-N 2.8Å; V15-L24 HydrophobicContact CG2-CD2 3.95Å; V15-L24 HydrophobicContact CG2-CG 4.36Å; L24-Y27 PolarHBondContact O-N 2.64Å; L24-F28 WeakPolarHBondContact O-CD2 3.37Å; L24-F28 PolarHBondContact O-N 2.91Å; L24-L35 HydrophobicContact CD2-CD1 4.38Å; L24-I68 HydrophobicContact CD2-CD1 4.44Å; L24-I103 HydrophobicContact CD2-CD1 4.13Å; L24-L110 HydrophobicContact CD1-CD1 4.21Å; L24-L110 HydrophobicContact CD1-CD2 4.08Å
25H98.5Very high98.1Very high29 Ų2942.3 Ų42.313%0.13424%0.24CC..Hα-helixtrans-67.8-38.8178.9-70.9-166.7000112.8E9 L10 N12 K23 G29 K141E9-H25 IonicContact OE1-CE1 3.47Å; E9-H25 PolarHBondContact OE1-CE1 2.69Å; L10-H25 PolarHBondContact O-NE2 2.99Å; N12-H25 VanDerWaalsContact OD1-CB 3.31Å; N12-H25 WeakPolarHBondContact OD1-CB 3.22Å; N12-H25 PolarHBondContact OD1-N 2.97Å; K23-H25 VanDerWaalsContact C-N 3.3Å; K23-H25 PolarHBondContact O-N 3.14Å; H25-G29 PolarHBondContact O-N 3.35Å; H25-K141 HydrophobicContact CB-CD 4.15Å; H25-K141 VanDerWaalsContact O-CE 3.24Å; H25-K141 WeakPolarHBondContact O-CE 3.48Å
26E98.3Very high98.2Very high133 Ų13341.8 Ų41.862%0.62124%0.237SC*.Hα-helixtrans-69.5-40.2178.2-64.8173.9-166.100110.7K23 G29K23-E26 HydrophobicContact CB-CB 4.25Å; K23-E26 HydrophobicContact CB-CG 4.09Å; K23-E26 WeakPolarHBondContact CD-OE1 3.4Å; K23-E26 PolarHBondContact O-N 3Å; K23-E26 VanDerWaalsContact O-N 3.09Å; E26-G29 PolarHBondContact O-N 3.06Å
27Y98.4Very high98.2Very high52 Ų5236.4 Ų36.420%0.20421%0.212CC..Hα-helixtrans-58.3-51.9175176.9-102000111.4V22 K23 L24 K66 L67 I68 P101V22-Y27 HydrophobicContact CG1-CD2 4.5Å; V22-Y27 HydrophobicContact CG2-CD2 4.38Å; V22-Y27 HydrophobicContact CG2-CG 4.39Å; K23-Y27 WeakPolarHBondContact O-CB 3.41Å; K23-Y27 PolarHBondContact O-N 2.98Å; L24-Y27 PolarHBondContact O-N 2.64Å; Y27-K66 HydrophobicContact CE1-CB 4.17Å; Y27-K66 WeakPolarHBondContact O-CD 3.43Å; Y27-K66 PolarHBondContact O-NZ 3.41Å; Y27-L67 PolarHBondContact OH-O 3.47Å; Y27-I68 HydrophobicContact CD1-CD1 4.15Å; Y27-I68 HydrophobicContact CE1-CB 3.84Å; Y27-I68 HydrophobicContact CE1-CD1 4.05Å; Y27-I68 HydrophobicContact CE1-CG2 4.27Å; Y27-P101 HydrophobicContact CE2-CG 3.77Å; Y27-P101 WeakPolarHBondContact OH-CD 3.36Å; Y27-P101 WeakPolarHBondContact OH-CG 3.47Å
28F98.3Very high98.1Very high1 Ų136.3 Ų36.30%0.00421%0.211CC..Hα-helixtrans-67.3-38.3178-68.9-54.7000111.7L10 L24 D30 S31 L35 K66 I68L10-F28 HydrophobicContact CD2-CD2 3.95Å; L10-F28 HydrophobicContact CD2-CE2 3.62Å; L24-F28 WeakPolarHBondContact O-CD2 3.37Å; L24-F28 PolarHBondContact O-N 2.91Å; F28-D30 PolarHBondContact O-N 3.33Å; F28-S31 WeakPolarHBondContact O-CB 3.3Å; F28-S31 PolarHBondContact O-N 3.02Å; F28-L35 HydrophobicContact CZ-CB 4.44Å; F28-K66 HydrophobicContact CD1-CB 4.08Å; F28-K66 HydrophobicContact CE1-CB 4.42Å; F28-K66 PolarHBondContact O-NZ 2.84Å; F28-I68 HydrophobicContact CE1-CG2 4.08Å; F28-I68 HydrophobicContact CZ-CG2 3.59Å
29G98.1Very high98.1Very high22 Ų2235 Ų3523%0.22720%0.203CC..THydrogen-bonded Turntrans56.1-138.9-177.300000110.3H25 E26 S31 K141H25-G29 PolarHBondContact O-N 3.35Å; E26-G29 PolarHBondContact O-N 3.06Å; G29-S31 VanDerWaalsContact C-N 3.28Å; G29-S31 PolarHBondContact O-N 3.21Å; G29-K141 WeakPolarHBondContact O-CE 3.5Å; G29-K141 PolarHBondContact O-NZ 3.15Å
30D98Very high98.1Very high143 Ų14334.7 Ų34.777%0.76518%0.184SC*.THydrogen-bonded Turntrans-863.7179.1-57.9-39.8000114F28 P139F28-D30 PolarHBondContact O-N 3.33Å; D30-P139 VanDerWaalsContact O-CB 3.32Å; D30-P139 WeakPolarHBondContact O-CB 3.45Å
31S98.4Very high98Very high13 Ų1333.4 Ų33.49%0.09117%0.17CC..SBendtrans-82.7161.6178.8-57.20000111.8F28 G29 D64 K66F28-S31 WeakPolarHBondContact O-CB 3.3Å; F28-S31 PolarHBondContact O-N 3.02Å; G29-S31 VanDerWaalsContact C-N 3.28Å; G29-S31 PolarHBondContact O-N 3.21Å; S31-D64 WeakPolarHBondContact CB-O 3.28Å; S31-D64 WeakPolarHBondContact CB-OD1 3.39Å; S31-D64 PolarHBondContact OG-OD1 3.47Å; S31-K66 WeakPolarHBondContact OG-CE 3.49Å
32W98.8Very high98Very high22 Ų2234.9 Ų34.98%0.08317%0.167CC..EExtended strand (participates in β ladder)trans-66.2153.4161.8-75.178.8000110.4D64 V65 K66 I136 P139 K144 L167 Q168 A171W32-D64 PolarHBondContact N-O 3.37Å; W32-V65 HydrophobicContact CB-CB 4.4Å; W32-V65 HydrophobicContact CB-CG2 3.83Å; W32-V65 WeakPolarHBondContact O-CA 3.36Å; W32-K66 PolarHBondContact O-N 3.16Å; W32-I136 HydrophobicContact CE3-CG2 4.07Å; W32-I136 HydrophobicContact CZ3-CG2 4.25Å; W32-P139 HydrophobicContact CG-CG 4.31Å; W32-K144 HydrophobicContact CH2-CG 4.02Å; W32-K144 HydrophobicContact CZ3-CB 4.04Å; W32-K144 HydrophobicContact CZ3-CG 3.63Å; W32-L167 HydrophobicContact CH2-CB 3.9Å; W32-L167 HydrophobicContact CZ3-CB 4.01Å; W32-L167 HydrophobicContact CZ3-CD1 4.31Å; W32-Q168 VanDerWaalsContact CD1-NE2 3.28Å; W32-Q168 HydrophobicContact CD2-CG 4.29Å; W32-Q168 HydrophobicContact CZ2-CG 4.05Å; W32-A171 HydrophobicContact CZ2-CB 4.26Å
33G98.7Very high97.8Very high1 Ų135.1 Ų35.11%0.0117%0.169CC..EExtended strand (participates in β ladder)trans-128.3142.5-178.700000112.8K66 I136 I137G33-K66 CarbonylContact C-O 3.5Å; G33-K66 WeakPolarHBondContact CA-O 3.37Å; G33-I136 CarbonylContact O-C 3.6Å; G33-I136 WeakPolarHBondContact O-CA 3.26Å; G33-I137 PolarHBondContact N-O 3.2Å; G33-I137 PolarHBondContact O-N 3.14Å
34I98.8Very high97.6Very high1 Ų136.5 Ų36.51%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-123.5115.6163.2-59175.2000108.3F36 F60 V65 K66 L67 I68 V134 F135 I136 I160 V164I34-F36 HydrophobicContact CG2-CB 4.48Å; I34-F36 HydrophobicContact CG2-CD1 4.22Å; I34-F60 HydrophobicContact CD1-CD1 3.77Å; I34-F60 HydrophobicContact CD1-CE1 3.49Å; I34-F60 VanDerWaalsContact CD1-CE1 3.49Å; I34-F60 HydrophobicContact CD1-CZ 4.32Å; I34-V65 HydrophobicContact CB-CG1 4.47Å; I34-V65 HydrophobicContact CD1-CG1 3.71Å; I34-V65 HydrophobicContact CG1-CG1 3.64Å; I34-K66 PolarHBondContact N-O 3.38Å; I34-L67 HydrophobicContact CB-CD2 3.88Å; I34-L67 HydrophobicContact CD1-CD2 3.99Å; I34-L67 HydrophobicContact CG1-CD2 4.36Å; I34-L67 HydrophobicContact CG2-CD2 4.44Å; I34-L67 CarbonylContact O-C 3.47Å; I34-I68 PolarHBondContact O-N 3.22Å; I34-V134 HydrophobicContact CG2-CG1 3.79Å; I34-F135 WeakPolarHBondContact CA-O 3.4Å; I34-I136 HydrophobicContact CG1-CG1 4.3Å; I34-I136 HydrophobicContact CG1-CG2 4.45Å; I34-I160 HydrophobicContact CD1-CG2 3.8Å; I34-V164 HydrophobicContact CD1-CG2 3.94Å
35L98.8Very high97.5Very high0 Ų038.7 Ų38.70%020%0.199CC..EExtended strand (participates in β ladder)trans-99.6122.2167.1-173.9154.1000108.2L24 F28 I68 I103 L110 L114 M116 F135L24-L35 HydrophobicContact CD2-CD1 4.38Å; F28-L35 HydrophobicContact CZ-CB 4.44Å; L35-I68 WeakPolarHBondContact CA-O 3.49Å; L35-I68 HydrophobicContact CB-CG2 3.89Å; L35-I68 HydrophobicContact CD1-CG2 4.24Å; L35-I68 HydrophobicContact CG-CG2 3.98Å; L35-I103 HydrophobicContact CD1-CD1 4.18Å; L35-L110 HydrophobicContact CD1-CD2 4.43Å; L35-L114 HydrophobicContact CD1-CD1 4.45Å; L35-L114 HydrophobicContact CD2-CD1 4.43Å; L35-M116 HydrophobicContact CD2-CE 3.14Å; L35-M116 HydrophobicContact CD2-SD 4.45Å; L35-F135 HydrophobicContact CD2-CD2 4.05Å; L35-F135 PolarHBondContact N-O 3.08Å; L35-F135 PolarHBondContact O-N 3.04Å
36F98.7Very high97.4Very high0 Ų037.3 Ų37.30%019%0.193CC..EExtended strand (participates in β ladder)trans-130.7131.4-179.864.2-82.6000111.4I34 L50 V53 L67 I68 A69 L70 Y100 C133 V134I34-F36 HydrophobicContact CG2-CB 4.48Å; I34-F36 HydrophobicContact CG2-CD1 4.22Å; F36-L50 HydrophobicContact CE2-CD1 4.2Å; F36-L50 HydrophobicContact CE2-CG 4.16Å; F36-V53 HydrophobicContact CE1-CG1 4.13Å; F36-V53 HydrophobicContact CE2-CG2 4.08Å; F36-V53 HydrophobicContact CZ-CB 4.29Å; F36-V53 HydrophobicContact CZ-CG1 3.86Å; F36-V53 HydrophobicContact CZ-CG2 4.03Å; F36-L67 HydrophobicContact CE1-CB 4.35Å; F36-I68 VanDerWaalsContact CD1-O 3.29Å; F36-I68 WeakPolarHBondContact CD1-O 3.43Å; F36-I68 PolarHBondContact N-O 3.42Å; F36-A69 HydrophobicContact CD2-CB 4.29Å; F36-A69 HydrophobicContact CE1-CB 4.15Å; F36-A69 HydrophobicContact CE2-CB 3.63Å; F36-A69 HydrophobicContact CZ-CB 3.55Å; F36-A69 CarbonylContact O-C 3.52Å; F36-A69 VanDerWaalsContact O-CA 3.25Å; F36-A69 WeakPolarHBondContact O-CA 3.36Å; F36-L70 PolarHBondContact O-N 3.29Å; F36-Y100 HydrophobicContact CZ-CD2 4.1Å; F36-Y100 AromaticContact CZ-CE2 3.93Å; F36-Y100 HydrophobicContact CZ-CE2 3.93Å; F36-C133 CarbonylContact C-O 3.34Å; F36-C133 VanDerWaalsContact CA-O 3.24Å; F36-C133 WeakPolarHBondContact CA-O 3.24Å; F36-V134 HydrophobicContact CB-CG2 4.2Å
37S98.5Very high97.4Very high0 Ų032 Ų320%017%0.169CC..EExtended strand (participates in β ladder)trans-95.6155.4178.765.20000111.8L70 A131 C133 R155S37-L70 CarbonylContact C-O 3.44Å; S37-L70 WeakPolarHBondContact CA-O 3.3Å; S37-A131 PolarHBondContact OG-O 3.28Å; S37-C133 PolarHBondContact N-O 2.95Å; S37-C133 WeakPolarHBondContact OG-CB 3.26Å; S37-C133 PolarHBondContact OG-N 2.82Å; S37-R155 VanDerWaalsContact O-CZ 3.25Å; S37-R155 PolarHBondContact O-NH1 2.75Å; S37-R155 PolarHBondContact O-NH2 2.87Å
38H97.9Very high97.4Very high0 Ų032.4 Ų32.40%018%0.177CC..  trans-134150.3166.265.6-83.7000109.8D41 C46 L50 L70 S71 W81 T130H38-D41 IonicContact CD2-OD1 2.69Å; H38-D41 IonicContact CE1-OD1 3.55Å; H38-D41 IonicContact NE2-OD1 2.86Å; H38-D41 PolarHBondContact NE2-OD1 3.14Å; H38-C46 HydrophobicContact CB-CB 4.23Å; H38-L50 HydrophobicContact CB-CD1 4.24Å; H38-L70 PolarHBondContact N-O 2.75Å; H38-L70 PolarHBondContact ND1-O 2.67Å; H38-S71 WeakPolarHBondContact NE2-CB 3.31Å; H38-S71 PolarHBondContact NE2-OG 2.65Å; H38-S71 WeakPolarHBondContact O-CB 3.42Å; H38-W81 AromaticContact CD2-CH2 3.84Å; H38-W81 AromaticContact CD2-CZ3 3.87Å; H38-W81 AromaticContact CE1-CZ3 3.75Å; H38-W81 AromaticContact NE2-CH2 3.74Å; H38-W81 AromaticContact NE2-CZ3 3.27Å; H38-W81 VanDerWaalsContact NE2-CZ3 3.27Å; H38-W81 WeakPolarHBondContact NE2-CZ3 3.42Å; H38-T130 PolarHBondContact O-OG1 3.42Å
39P95.3Very high97.3Very high7 Ų732.6 Ų32.65%0.04518%0.178CC..SBendtrans-63.2-49.1-170.5-27.735.3000115.2C46 V129 T130 R132 N151P39-C46 VanDerWaalsContact CD-SG 3.59Å; P39-V129 HydrophobicContact CB-CG2 4.05Å; P39-T130 WeakPolarHBondContact CA-O 3.33Å; P39-T130 WeakPolarHBondContact CB-O 3.28Å; P39-T130 WeakPolarHBondContact CG-O 3.35Å; P39-R132 HydrophobicContact CG-CG 4.28Å; P39-N151 WeakPolarHBondContact CB-ND2 3.17Å; P39-N151 HydrophobicContact CG-CB 3.98Å; P39-N151 WeakPolarHBondContact CG-ND2 3.05Å; P39-N151 WeakPolarHBondContact CG-OD1 3.32Å
40R96.1Very high97.3Very high78 Ų7831.6 Ų31.629%0.29417%0.167SC..  trans-155.2144.2-173-67.9-66.7-70.5162.914.7110.7T43 D73 V129R40-T43 HydrophobicContact CB-CG2 3.84Å; R40-T43 PolarHBondContact O-OG1 3.38Å; R40-D73 VanDerWaalsContact CA-OD2 3.28Å; R40-D73 WeakPolarHBondContact CA-OD2 3.39Å; R40-D73 VanDerWaalsContact CZ-CG 3.5Å; R40-D73 IonicContact CZ-OD1 3.84Å; R40-D73 IonicContact CZ-OD2 3.65Å; R40-D73 IonicContact NE-OD1 2.7Å; R40-D73 IonicContact NE-OD2 3.59Å; R40-D73 VanDerWaalsContact NH1-CG 3.29Å; R40-D73 IonicContact NH1-OD1 3.72Å; R40-D73 PolarHBondContact NH1-OD1 3.29Å; R40-D73 IonicContact NH1-OD2 3.56Å; R40-D73 PolarHBondContact NH1-OD2 3.03Å; R40-D73 IonicContact NH2-OD1 3.66Å; R40-D73 PolarHBondContact NH2-OD1 2.88Å; R40-D73 IonicContact NH2-OD2 2.75Å; R40-V129 HydrophobicContact CG-CG1 4.07Å
41D97.1Very high97.2Very high6 Ų624.8 Ų24.83%0.03213%0.131CC..SBendtrans-63.7160.8165.7-68.718.7000110.4H38 T43 S71 D73 H78 W81H38-D41 IonicContact CD2-OD1 2.69Å; H38-D41 IonicContact CE1-OD1 3.55Å; H38-D41 IonicContact NE2-OD1 2.86Å; H38-D41 PolarHBondContact NE2-OD1 3.14Å; D41-T43 VanDerWaalsContact C-N 3.27Å; D41-T43 PolarHBondContact O-N 2.7Å; D41-S71 PolarHBondContact OD1-OG 2.68Å; D41-D73 HydrophobicContact CB-CB 4.32Å; D41-D73 PolarHBondContact N-OD2 3.41Å; D41-H78 IonicContact OD1-CE1 3.65Å; D41-H78 IonicContact OD1-ND1 3.38Å; D41-H78 PolarHBondContact OD1-ND1 3.17Å; D41-H78 VanDerWaalsContact OD2-CA 3.28Å; D41-H78 WeakPolarHBondContact OD2-CA 3.24Å; D41-H78 IonicContact OD2-CE1 3.65Å; D41-H78 IonicContact OD2-CG 3.73Å; D41-H78 PolarHBondContact OD2-N 3.36Å; D41-H78 IonicContact OD2-ND1 2.74Å; D41-H78 PolarHBondContact OD2-ND1 3.28Å; D41-W81 HydrophobicContact CB-CB 4.2Å; D41-W81 HydrophobicContact CB-CD2 3.84Å; D41-W81 HydrophobicContact CB-CE3 3.78Å; D41-W81 HydrophobicContact CB-CG 4.02Å; D41-W81 HydrophobicContact CB-CZ3 4.42Å
42Y96.3Very high97.1Very high110 Ų11028.7 Ų28.743%0.43114%0.144SC..SBendtrans56.634.9-178.8-49.4-77000114.5D77 N80 W81Y42-D77 HydrophobicContact CE2-CB 4.11Å; Y42-D77 PolarHBondContact OH-O 2.94Å; Y42-N80 WeakPolarHBondContact OH-CB 3.48Å; Y42-W81 HydrophobicContact CD1-CB 4.11Å; Y42-W81 AromaticContact CD1-CD1 3.5Å; Y42-W81 HydrophobicContact CD1-CG 4.06Å; Y42-W81 HydrophobicContact CE1-CB 3.66Å; Y42-W81 AromaticContact CE1-CD1 3.88Å; Y42-W81 HydrophobicContact CE1-CG 4.11Å; Y42-W81 HydrophobicContact CE2-CB 4.15Å; Y42-W81 AromaticContact CG-CD1 3.98Å; Y42-W81 HydrophobicContact CG-CG 4.36Å; Y42-W81 PolarHBondContact OH-N 3.12Å
43T93.6Very high97Very high41 Ų4127.6 Ų27.625%0.25214%0.14SC..  trans-121.4143.6174.761.10000111.6R40 D41 V45 C46 T47R40-T43 HydrophobicContact CB-CG2 3.84Å; R40-T43 PolarHBondContact O-OG1 3.38Å; D41-T43 VanDerWaalsContact C-N 3.27Å; D41-T43 PolarHBondContact O-N 2.7Å; T43-V45 PolarHBondContact O-N 3.14Å; T43-C46 PolarHBondContact O-N 3.02Å; T43-C46 WeakPolarHBondContact OG1-CB 3.31Å; T43-C46 PolarHBondContact OG1-SG 2.79Å; T43-T47 PolarHBondContact O-N 3.2Å; T43-T47 PolarHBondContact O-OG1 3.35Å; T43-T47 VanDerWaalsContact O-OG1 3.12Å
44P95.8Very high96.8Very high107 Ų10728.2 Ų28.270%0.69514%0.144SC*.Hα-helixtrans-63.3-49.4-16321.6-33.3000113.3C46 T47 T48P44-C46 VanDerWaalsContact C-N 3.3Å; P44-C46 PolarHBondContact O-N 3.38Å; P44-T47 PolarHBondContact O-N 3.4Å; P44-T48 WeakPolarHBondContact O-CG2 3.32Å; P44-T48 PolarHBondContact O-N 2.88Å; P44-T48 VanDerWaalsContact O-N 3.14Å
45V96.3Very high96.6Very high47 Ų4734.6 Ų34.629%0.28517%0.168SC..Hα-helixtrans-65.3-35.4-179.4179.50000111.3T43 T48 E49 R132T43-V45 PolarHBondContact O-N 3.14Å; V45-T48 PolarHBondContact O-N 3.04Å; V45-T48 PolarHBondContact O-OG1 3.4Å; V45-E49 HydrophobicContact CG1-CG 4.38Å; V45-E49 WeakPolarHBondContact O-CB 3.41Å; V45-E49 VanDerWaalsContact O-CG 3.3Å; V45-E49 WeakPolarHBondContact O-CG 3.49Å; V45-E49 PolarHBondContact O-N 3.44Å; V45-R132 VanDerWaalsContact CG1-CZ 3.46Å
46C96.5Very high96.5Very high0 Ų035.4 Ų35.40%017%0.173CC..Hα-helixtrans-65.9-40.9176.8-58.50000111.2H38 P39 T43 P44 T48 E49 L50 W81 R132H38-C46 HydrophobicContact CB-CB 4.23Å; P39-C46 VanDerWaalsContact CD-SG 3.59Å; T43-C46 PolarHBondContact O-N 3.02Å; T43-C46 WeakPolarHBondContact OG1-CB 3.31Å; T43-C46 PolarHBondContact OG1-SG 2.79Å; P44-C46 VanDerWaalsContact C-N 3.3Å; P44-C46 PolarHBondContact O-N 3.38Å; C46-T48 VanDerWaalsContact C-N 3.33Å; C46-T48 PolarHBondContact O-N 3.11Å; C46-E49 PolarHBondContact O-N 2.96Å; C46-L50 VanDerWaalsContact O-CD1 3.27Å; C46-L50 WeakPolarHBondContact O-CD1 3.34Å; C46-L50 PolarHBondContact O-N 3.47Å; C46-W81 HydrophobicContact CB-CH2 3.73Å; C46-W81 HydrophobicContact CB-CZ2 3.8Å; C46-R132 PolarHBondContact SG-NH1 3.41Å
47T97.4Very high96.3Very high22 Ų2236.5 Ų36.514%0.13518%0.18CC..Hα-helixtrans-62.9-42.2177.9-54.30000110.9T43 P44 G51 W81 I85 Y88T43-T47 PolarHBondContact O-N 3.2Å; T43-T47 PolarHBondContact O-OG1 3.35Å; T43-T47 VanDerWaalsContact O-OG1 3.12Å; P44-T47 PolarHBondContact O-N 3.4Å; T47-G51 PolarHBondContact O-N 3.44Å; T47-W81 PolarHBondContact OG1-NE1 3.32Å; T47-W81 VanDerWaalsContact OG1-NE1 3.17Å; T47-I85 HydrophobicContact CG2-CG1 4.2Å; T47-Y88 HydrophobicContact CG2-CG 4.3Å
48T97.4Very high96.2Very high59 Ų5938.2 Ų38.236%0.36220%0.198SC..Hα-helixtrans-67.4-39177.3670000112.5P44 V45 C46 R52 Y88P44-T48 WeakPolarHBondContact O-CG2 3.32Å; P44-T48 PolarHBondContact O-N 2.88Å; P44-T48 VanDerWaalsContact O-N 3.14Å; V45-T48 PolarHBondContact O-N 3.04Å; V45-T48 PolarHBondContact O-OG1 3.4Å; C46-T48 VanDerWaalsContact C-N 3.33Å; C46-T48 PolarHBondContact O-N 3.11Å; T48-R52 PolarHBondContact O-N 3.5Å; T48-Y88 HydrophobicContact CG2-CE1 4.39Å; T48-Y88 HydrophobicContact CG2-CE2 4.19Å
49E97.7Very high96.2Very high6 Ų641.2 Ų41.23%0.02821%0.212CC..Hα-helixtrans-63.7-55.8177.2-77.4-174.2141.100111.8V45 C46 G51 R52 V53 R132 G154 R155 F157V45-E49 HydrophobicContact CG1-CG 4.38Å; V45-E49 WeakPolarHBondContact O-CB 3.41Å; V45-E49 VanDerWaalsContact O-CG 3.3Å; V45-E49 WeakPolarHBondContact O-CG 3.49Å; V45-E49 PolarHBondContact O-N 3.44Å; C46-E49 PolarHBondContact O-N 2.96Å; E49-G51 VanDerWaalsContact C-N 3.27Å; E49-G51 PolarHBondContact O-N 3.22Å; E49-R52 WeakPolarHBondContact O-CA 3.24Å; E49-R52 WeakPolarHBondContact O-CB 3.11Å; E49-R52 PolarHBondContact O-N 2.88Å; E49-V53 WeakPolarHBondContact O-CG2 3.2Å; E49-V53 PolarHBondContact O-N 2.6Å; E49-R132 IonicContact OE2-CZ 3.66Å; E49-R132 IonicContact OE2-NH1 3.37Å; E49-R132 PolarHBondContact OE2-NH1 2.85Å; E49-G154 WeakPolarHBondContact OE1-CA 3.21Å; E49-R155 WeakPolarHBondContact OE1-CB 3.22Å; E49-R155 WeakPolarHBondContact OE1-CG 3.35Å; E49-R155 IonicContact OE1-CZ 2.65Å; E49-R155 PolarHBondContact OE1-N 3.2Å; E49-R155 IonicContact OE1-NE 3.97Å; E49-R155 PolarHBondContact OE1-NE 2.96Å; E49-R155 IonicContact OE1-NH2 2.68Å; E49-R155 IonicContact OE2-CZ 3.69Å; E49-R155 IonicContact OE2-NE 2.78Å; E49-R155 IonicContact OE2-NH2 3.21Å; E49-R155 PolarHBondContact OE2-NH2 2.81Å; E49-F157 HydrophobicContact CB-CE2 3.89Å; E49-F157 HydrophobicContact CG-CE2 4.06Å
50L97.4Very high96.3Very high0 Ų040.9 Ų40.90%021%0.21CC..Hα-helixtrans-63.6-36.5-179.7-84.273.8000110.8F36 H38 C46 R52 V53 A54 A69 W81 I85 Y100 I102F36-L50 HydrophobicContact CE2-CD1 4.2Å; F36-L50 HydrophobicContact CE2-CG 4.16Å; H38-L50 HydrophobicContact CB-CD1 4.24Å; C46-L50 VanDerWaalsContact O-CD1 3.27Å; C46-L50 WeakPolarHBondContact O-CD1 3.34Å; C46-L50 PolarHBondContact O-N 3.47Å; L50-R52 VanDerWaalsContact C-N 3.32Å; L50-R52 PolarHBondContact O-N 3.28Å; L50-V53 PolarHBondContact O-N 3Å; L50-A54 PolarHBondContact O-N 2.88Å; L50-A69 HydrophobicContact CD2-CB 4.49Å; L50-W81 HydrophobicContact CD1-CH2 4.06Å; L50-W81 HydrophobicContact CD2-CH2 3.67Å; L50-W81 HydrophobicContact CD2-CZ3 3.5Å; L50-W81 VanDerWaalsContact CD2-CZ3 3.5Å; L50-W81 HydrophobicContact CG-CH2 4.3Å; L50-I85 HydrophobicContact CB-CD1 3.81Å; L50-I85 HydrophobicContact CB-CG1 4.31Å; L50-I85 HydrophobicContact CB-CG2 4.09Å; L50-I85 HydrophobicContact CD2-CD1 3.67Å; L50-I85 HydrophobicContact CG-CD1 4.39Å; L50-Y100 WeakPolarHBondContact CA-OH 3.07Å; L50-Y100 WeakPolarHBondContact CB-OH 3.33Å; L50-Y100 HydrophobicContact CD2-CE2 4.37Å; L50-Y100 HydrophobicContact CG-CE2 4.48Å; L50-Y100 PolarHBondContact O-OH 2.78Å; L50-I102 HydrophobicContact CD2-CD1 3.99Å
51G95.8Very high96.4Very high0 Ų041 Ų410%022%0.223CC..Hα-helixtrans-56.5-45.2170.800000112.5T47 E49 A54 R55 N89T47-G51 PolarHBondContact O-N 3.44Å; E49-G51 VanDerWaalsContact C-N 3.27Å; E49-G51 PolarHBondContact O-N 3.22Å; G51-A54 PolarHBondContact O-N 3.07Å; G51-R55 PolarHBondContact O-N 3.23Å; G51-R55 VanDerWaalsContact O-N 3.17Å; G51-N89 WeakPolarHBondContact CA-ND2 3.37Å; G51-N89 WeakPolarHBondContact CA-OD1 3.46Å; G51-N89 PolarHBondContact O-ND2 2.91Å; G51-N89 PolarHBondContact O-OD1 2.75Å
52R96.5Very high96.5Very high95 Ų9548.1 Ų48.136%0.35825%0.254SS..Hα-helixtrans-63.9-41.4175.7-179.158.7174.3179.2-1112.2T48 E49 L50 A54 R55 L56 F157 D158T48-R52 PolarHBondContact O-N 3.5Å; E49-R52 WeakPolarHBondContact O-CA 3.24Å; E49-R52 WeakPolarHBondContact O-CB 3.11Å; E49-R52 PolarHBondContact O-N 2.88Å; L50-R52 VanDerWaalsContact C-N 3.32Å; L50-R52 PolarHBondContact O-N 3.28Å; R52-A54 VanDerWaalsContact C-N 3.34Å; R52-A54 PolarHBondContact O-N 3.09Å; R52-R55 PolarHBondContact O-N 2.99Å; R52-L56 HydrophobicContact CG-CD1 4.07Å; R52-L56 WeakPolarHBondContact O-CG 3.42Å; R52-L56 PolarHBondContact O-N 2.69Å; R52-F157 HydrophobicContact CB-CD2 4.41Å; R52-F157 HydrophobicContact CG-CB 4.06Å; R52-F157 HydrophobicContact CG-CD2 4.16Å; R52-F157 HydrophobicContact CG-CG 4.4Å; R52-D158 IonicContact CZ-OD1 3.51Å; R52-D158 IonicContact NE-OD1 2.71Å; R52-D158 IonicContact NH2-OD1 3.46Å; R52-D158 PolarHBondContact NH2-OD1 2.86Å; R52-D158 IonicContact NH2-OD2 3.99Å; R52-D158 PolarHBondContact NH2-OD2 2.93Å
53V96.6Very high96.6Very high0 Ų045.3 Ų45.30%024%0.242CC..Hα-helixtrans-60.8-44.8176.1-175.40000111F36 E49 L50 R55 L56 S57 L67 Y100 F157F36-V53 HydrophobicContact CE1-CG1 4.13Å; F36-V53 HydrophobicContact CE2-CG2 4.08Å; F36-V53 HydrophobicContact CZ-CB 4.29Å; F36-V53 HydrophobicContact CZ-CG1 3.86Å; F36-V53 HydrophobicContact CZ-CG2 4.03Å; E49-V53 WeakPolarHBondContact O-CG2 3.2Å; E49-V53 PolarHBondContact O-N 2.6Å; L50-V53 PolarHBondContact O-N 3Å; V53-R55 VanDerWaalsContact C-N 3.31Å; V53-R55 PolarHBondContact O-N 2.94Å; V53-L56 CarbonylContact O-C 3.53Å; V53-L56 PolarHBondContact O-N 3.25Å; V53-L56 VanDerWaalsContact O-N 3.11Å; V53-S57 PolarHBondContact O-N 2.97Å; V53-L67 HydrophobicContact CG1-CD1 3.64Å; V53-Y100 HydrophobicContact CB-CE1 3.74Å; V53-Y100 HydrophobicContact CG1-CD1 3.78Å; V53-Y100 HydrophobicContact CG1-CE1 3.38Å; V53-F157 HydrophobicContact CB-CE1 4.49Å; V53-F157 HydrophobicContact CG2-CD1 3.6Å; V53-F157 HydrophobicContact CG2-CD2 4.15Å; V53-F157 HydrophobicContact CG2-CE1 3.13Å; V53-F157 HydrophobicContact CG2-CE2 3.73Å; V53-F157 HydrophobicContact CG2-CG 4.09Å; V53-F157 HydrophobicContact CG2-CZ 3.19Å
54A95.1Very high96.8Very high13 Ų1347.6 Ų47.611%0.10725%0.253CS..Hα-helixtrans-59.7-43.8179.400000111.3L50 G51 R52 L56 S57 L98 P99 Y100L50-A54 PolarHBondContact O-N 2.88Å; G51-A54 PolarHBondContact O-N 3.07Å; R52-A54 VanDerWaalsContact C-N 3.34Å; R52-A54 PolarHBondContact O-N 3.09Å; A54-L56 VanDerWaalsContact C-N 3.33Å; A54-L56 PolarHBondContact O-N 3.09Å; A54-S57 WeakPolarHBondContact O-CB 3.43Å; A54-S57 PolarHBondContact O-N 3.02Å; A54-S57 PolarHBondContact O-OG 3.37Å; A54-L98 HydrophobicContact CB-CD2 4.15Å; A54-P99 HydrophobicContact CB-CG 4.1Å; A54-Y100 HydrophobicContact CB-CE1 4.13Å
55R94Very high96.9Very high135 Ų13542.9 Ų42.951%0.50922%0.222SC..Hα-helixtrans-63.6-34175.1-72177.1171.6167.70.9113.6G51 R52 V53 N89G51-R55 PolarHBondContact O-N 3.23Å; G51-R55 VanDerWaalsContact O-N 3.17Å; R52-R55 PolarHBondContact O-N 2.99Å; V53-R55 VanDerWaalsContact C-N 3.31Å; V53-R55 PolarHBondContact O-N 2.94Å; R55-N89 PolarHBondContact NE-OD1 3.01Å; R55-N89 VanDerWaalsContact NE-OD1 3.14Å; R55-N89 PolarHBondContact NH2-O 3.16Å
56L95.7Very high97.1Very high17 Ų1744 Ų449%0.08922%0.224CC..Hα-helixtrans-89.8-4.2179.4-68.7-179.6000113.9R52 V53 A54 G58 E59 F60 F157R52-L56 HydrophobicContact CG-CD1 4.07Å; R52-L56 WeakPolarHBondContact O-CG 3.42Å; R52-L56 PolarHBondContact O-N 2.69Å; V53-L56 CarbonylContact O-C 3.53Å; V53-L56 PolarHBondContact O-N 3.25Å; V53-L56 VanDerWaalsContact O-N 3.11Å; A54-L56 VanDerWaalsContact C-N 3.33Å; A54-L56 PolarHBondContact O-N 3.09Å; L56-G58 PolarHBondContact O-N 3.06Å; L56-G58 VanDerWaalsContact O-N 3.13Å; L56-E59 HydrophobicContact CD2-CG 4.47Å; L56-E59 WeakPolarHBondContact O-CA 3.46Å; L56-E59 WeakPolarHBondContact O-CB 3.25Å; L56-E59 PolarHBondContact O-N 2.9Å; L56-F60 HydrophobicContact CB-CD2 4.15Å; L56-F60 HydrophobicContact CB-CE2 3.82Å; L56-F60 VanDerWaalsContact O-CD2 3.3Å; L56-F60 WeakPolarHBondContact O-CD2 3.42Å; L56-F60 PolarHBondContact O-N 2.64Å; L56-F157 HydrophobicContact CD1-CB 3.66Å
57S95.1Very high97.2Very high23 Ų2344.6 Ų44.616%0.16123%0.226CC..Hα-helixtrans-54.3-36.7-175.361.80000113.6V53 A54 E59 F60 S61 P99V53-S57 PolarHBondContact O-N 2.97Å; A54-S57 WeakPolarHBondContact O-CB 3.43Å; A54-S57 PolarHBondContact O-N 3.02Å; A54-S57 PolarHBondContact O-OG 3.37Å; S57-E59 VanDerWaalsContact C-N 3.34Å; S57-E59 PolarHBondContact O-N 3.42Å; S57-F60 PolarHBondContact O-N 3.13Å; S57-S61 WeakPolarHBondContact O-CB 3.27Å; S57-S61 PolarHBondContact O-N 3.25Å; S57-S61 PolarHBondContact O-OG 2.92Å; S57-P99 WeakPolarHBondContact OG-CG 3.38Å
58G96.7Very high97.2Very high37 Ų3743.5 Ų43.538%0.38122%0.22SC..Hα-helixtrans-63.6-35.4173.800000113.5L56 S61 K62L56-G58 PolarHBondContact O-N 3.06Å; L56-G58 VanDerWaalsContact O-N 3.13Å; G58-S61 PolarHBondContact O-N 3.15Å; G58-K62 VanDerWaalsContact O-CG 3.27Å; G58-K62 WeakPolarHBondContact O-CG 3.41Å; G58-K62 PolarHBondContact O-N 3.03Å
59E97.9Very high97.3Very high62 Ų6240.7 Ų40.729%0.2920%0.203SC..Hα-helixtrans-70.4-37176.7-68.9-56130.300112.4L56 S57 K62 R63 L161L56-E59 HydrophobicContact CD2-CG 4.47Å; L56-E59 WeakPolarHBondContact O-CA 3.46Å; L56-E59 WeakPolarHBondContact O-CB 3.25Å; L56-E59 PolarHBondContact O-N 2.9Å; S57-E59 VanDerWaalsContact C-N 3.34Å; S57-E59 PolarHBondContact O-N 3.42Å; E59-K62 IonicContact OE1-NZ 3.49Å; E59-K62 PolarHBondContact OE1-NZ 3.49Å; E59-R63 WeakPolarHBondContact O-CD 3.46Å; E59-R63 PolarHBondContact O-NH1 3.03Å; E59-R63 IonicContact OE2-NH1 3.77Å; E59-R63 PolarHBondContact OE2-NH1 3.44Å; E59-L161 HydrophobicContact CB-CD1 4.13Å; E59-L161 HydrophobicContact CB-CD2 3.92Å; E59-L161 HydrophobicContact CG-CD2 4.38Å
60F98.4Very high97.3Very high0 Ų040.4 Ų40.40%020%0.201CC..Hα-helixtrans-68.3-42.3172-70.3-70.6000111.5I34 L56 S57 K62 R63 D64 V65 L67 I160 L161 V164I34-F60 HydrophobicContact CD1-CD1 3.77Å; I34-F60 HydrophobicContact CD1-CE1 3.49Å; I34-F60 VanDerWaalsContact CD1-CE1 3.49Å; I34-F60 HydrophobicContact CD1-CZ 4.32Å; L56-F60 HydrophobicContact CB-CD2 4.15Å; L56-F60 HydrophobicContact CB-CE2 3.82Å; L56-F60 VanDerWaalsContact O-CD2 3.3Å; L56-F60 WeakPolarHBondContact O-CD2 3.42Å; L56-F60 PolarHBondContact O-N 2.64Å; S57-F60 PolarHBondContact O-N 3.13Å; F60-K62 VanDerWaalsContact C-N 3.33Å; F60-K62 PolarHBondContact O-N 2.9Å; F60-R63 CarbonylContact O-C 3.53Å; F60-R63 WeakPolarHBondContact O-CA 3.33Å; F60-R63 WeakPolarHBondContact O-CB 3.28Å; F60-R63 PolarHBondContact O-N 3.28Å; F60-D64 PolarHBondContact O-N 2.89Å; F60-V65 HydrophobicContact CB-CB 4.11Å; F60-V65 HydrophobicContact CB-CG1 4.41Å; F60-V65 HydrophobicContact CD1-CB 4.33Å; F60-V65 HydrophobicContact CD1-CG1 4.1Å; F60-V65 WeakPolarHBondContact O-CB 3.49Å; F60-V65 PolarHBondContact O-N 3.24Å; F60-L67 HydrophobicContact CB-CD1 4.11Å; F60-L67 HydrophobicContact CB-CD2 4.3Å; F60-L67 HydrophobicContact CB-CG 4.23Å; F60-L67 HydrophobicContact CD1-CD2 4.17Å; F60-L67 HydrophobicContact CD2-CD1 3.78Å; F60-L67 HydrophobicContact CD2-CD2 4.01Å; F60-L67 HydrophobicContact CD2-CG 4.37Å; F60-L67 HydrophobicContact CE2-CD2 4.38Å; F60-L67 HydrophobicContact CG-CD1 4.12Å; F60-L67 HydrophobicContact CG-CD2 3.9Å; F60-L67 HydrophobicContact CG-CG 4.29Å; F60-I160 HydrophobicContact CE1-CG2 4.14Å; F60-I160 HydrophobicContact CZ-CG2 4.15Å; F60-L161 HydrophobicContact CD1-CD1 3.92Å; F60-L161 HydrophobicContact CE1-CB 4.43Å; F60-L161 HydrophobicContact CE1-CD1 3.8Å; F60-L161 HydrophobicContact CG-CD1 4.41Å; F60-L161 HydrophobicContact CZ-CB 4.4Å; F60-L161 HydrophobicContact CZ-CD1 4.22Å; F60-V164 HydrophobicContact CE1-CG2 4.41Å
61S97.8Very high97.4Very high82 Ų8240.4 Ų40.457%0.57320%0.201SC*.Hα-helixtrans-62.4-38.4178.8-58.80000112.4S57 G58 R63 D64S57-S61 WeakPolarHBondContact O-CB 3.27Å; S57-S61 PolarHBondContact O-N 3.25Å; S57-S61 PolarHBondContact O-OG 2.92Å; G58-S61 PolarHBondContact O-N 3.15Å; S61-R63 PolarHBondContact O-N 2.79Å; S61-R63 VanDerWaalsContact O-N 3.13Å; S61-D64 PolarHBondContact O-N 2.81Å
62K98.2Very high97.4Very high155 Ų15540.6 Ų40.667%0.67420%0.202SC*.THydrogen-bonded Turntrans-59.1-22.2174-75.5169.8-170.9173.90113.7G58 E59 F60G58-K62 VanDerWaalsContact O-CG 3.27Å; G58-K62 WeakPolarHBondContact O-CG 3.41Å; G58-K62 PolarHBondContact O-N 3.03Å; E59-K62 IonicContact OE1-NZ 3.49Å; E59-K62 PolarHBondContact OE1-NZ 3.49Å; F60-K62 VanDerWaalsContact C-N 3.33Å; F60-K62 PolarHBondContact O-N 2.9Å
63R97.9Very high97.4Very high50 Ų5036.2 Ų36.219%0.18919%0.186CC..THydrogen-bonded Turntrans-101.610.3179.8-67162.5173.180.7-1.9112.3E59 F60 S61 V65 V164 D165 Q168E59-R63 WeakPolarHBondContact O-CD 3.46Å; E59-R63 PolarHBondContact O-NH1 3.03Å; E59-R63 IonicContact OE2-NH1 3.77Å; E59-R63 PolarHBondContact OE2-NH1 3.44Å; F60-R63 CarbonylContact O-C 3.53Å; F60-R63 WeakPolarHBondContact O-CA 3.33Å; F60-R63 WeakPolarHBondContact O-CB 3.28Å; F60-R63 PolarHBondContact O-N 3.28Å; S61-R63 PolarHBondContact O-N 2.79Å; S61-R63 VanDerWaalsContact O-N 3.13Å; R63-V65 VanDerWaalsContact C-N 3.27Å; R63-V65 HydrophobicContact CB-CG2 3.95Å; R63-V65 PolarHBondContact O-N 2.74Å; R63-V164 HydrophobicContact CB-CG1 4.31Å; R63-D165 IonicContact CZ-OD1 3.66Å; R63-D165 IonicContact CZ-OD2 2.75Å; R63-D165 IonicContact NE-OD1 2.78Å; R63-D165 PolarHBondContact NE-OD1 3.41Å; R63-D165 IonicContact NE-OD2 2.67Å; R63-D165 IonicContact NH2-OD1 2.72Å; R63-D165 PolarHBondContact NH2-OD1 2.85Å; R63-D165 IonicContact NH2-OD2 3.52Å; R63-D165 PolarHBondContact NH2-OD2 3.07Å; R63-Q168 PolarHBondContact O-NE2 3.36Å
64D98.4Very high97.4Very high90 Ų9038 Ų3848%0.48120%0.198SC..THydrogen-bonded Turntrans54.544.5-174.3-171.234.2000112.4S31 W32 F60 S61S31-D64 WeakPolarHBondContact CB-O 3.28Å; S31-D64 WeakPolarHBondContact CB-OD1 3.39Å; S31-D64 PolarHBondContact OG-OD1 3.47Å; W32-D64 PolarHBondContact N-O 3.37Å; F60-D64 PolarHBondContact O-N 2.89Å; S61-D64 PolarHBondContact O-N 2.81Å
65V98.8Very high97.5Very high7 Ų739 Ų394%0.04220%0.202CC..EExtended strand (participates in β ladder)trans-110.2121.3175.9-179.10000109.9W32 I34 F60 R63 V164W32-V65 HydrophobicContact CB-CB 4.4Å; W32-V65 HydrophobicContact CB-CG2 3.83Å; W32-V65 WeakPolarHBondContact O-CA 3.36Å; I34-V65 HydrophobicContact CB-CG1 4.47Å; I34-V65 HydrophobicContact CD1-CG1 3.71Å; I34-V65 HydrophobicContact CG1-CG1 3.64Å; F60-V65 HydrophobicContact CB-CB 4.11Å; F60-V65 HydrophobicContact CB-CG1 4.41Å; F60-V65 HydrophobicContact CD1-CB 4.33Å; F60-V65 HydrophobicContact CD1-CG1 4.1Å; F60-V65 WeakPolarHBondContact O-CB 3.49Å; F60-V65 PolarHBondContact O-N 3.24Å; R63-V65 VanDerWaalsContact C-N 3.27Å; R63-V65 HydrophobicContact CB-CG2 3.95Å; R63-V65 PolarHBondContact O-N 2.74Å; V65-V164 HydrophobicContact CG2-CG1 3.71Å
66K98.7Very high97.7Very high72 Ų7239.2 Ų39.231%0.31321%0.209SC..EExtended strand (participates in β ladder)trans-90.6135.7171.2-69176.3-178.8167.60110.9Y27 F28 S31 W32 G33 I34Y27-K66 HydrophobicContact CE1-CB 4.17Å; Y27-K66 WeakPolarHBondContact O-CD 3.43Å; Y27-K66 PolarHBondContact O-NZ 3.41Å; F28-K66 HydrophobicContact CD1-CB 4.08Å; F28-K66 HydrophobicContact CE1-CB 4.42Å; F28-K66 PolarHBondContact O-NZ 2.84Å; S31-K66 WeakPolarHBondContact OG-CE 3.49Å; W32-K66 PolarHBondContact O-N 3.16Å; G33-K66 CarbonylContact C-O 3.5Å; G33-K66 WeakPolarHBondContact CA-O 3.37Å; I34-K66 PolarHBondContact N-O 3.38Å
67L98.7Very high97.7Very high11 Ų1141 Ų416%0.05822%0.218CC..EExtended strand (participates in β ladder)trans-104.4143-178.4-62.7170.3000109.9Y27 I34 F36 V53 F60 Y100Y27-L67 PolarHBondContact OH-O 3.47Å; I34-L67 HydrophobicContact CB-CD2 3.88Å; I34-L67 HydrophobicContact CD1-CD2 3.99Å; I34-L67 HydrophobicContact CG1-CD2 4.36Å; I34-L67 HydrophobicContact CG2-CD2 4.44Å; I34-L67 CarbonylContact O-C 3.47Å; F36-L67 HydrophobicContact CE1-CB 4.35Å; V53-L67 HydrophobicContact CG1-CD1 3.64Å; F60-L67 HydrophobicContact CB-CD1 4.11Å; F60-L67 HydrophobicContact CB-CD2 4.3Å; F60-L67 HydrophobicContact CB-CG 4.23Å; F60-L67 HydrophobicContact CD1-CD2 4.17Å; F60-L67 HydrophobicContact CD2-CD1 3.78Å; F60-L67 HydrophobicContact CD2-CD2 4.01Å; F60-L67 HydrophobicContact CD2-CG 4.37Å; F60-L67 HydrophobicContact CE2-CD2 4.38Å; F60-L67 HydrophobicContact CG-CD1 4.12Å; F60-L67 HydrophobicContact CG-CD2 3.9Å; F60-L67 HydrophobicContact CG-CG 4.29Å; L67-Y100 HydrophobicContact CB-CD1 4.37Å; L67-Y100 HydrophobicContact CB-CG 4.24Å; L67-Y100 HydrophobicContact CD1-CD1 4.17Å; L67-Y100 WeakPolarHBondContact O-CB 3.43Å
68I98.8Very high97.9Very high0 Ų039.9 Ų39.90%021%0.21CC..EExtended strand (participates in β ladder)trans-147.3127.2169.4-172158.2000110T17 L24 Y27 F28 I34 L35 F36 P101 I103T17-I68 HydrophobicContact CG2-CD1 4.27Å; L24-I68 HydrophobicContact CD2-CD1 4.44Å; Y27-I68 HydrophobicContact CD1-CD1 4.15Å; Y27-I68 HydrophobicContact CE1-CB 3.84Å; Y27-I68 HydrophobicContact CE1-CD1 4.05Å; Y27-I68 HydrophobicContact CE1-CG2 4.27Å; F28-I68 HydrophobicContact CE1-CG2 4.08Å; F28-I68 HydrophobicContact CZ-CG2 3.59Å; I34-I68 PolarHBondContact O-N 3.22Å; L35-I68 WeakPolarHBondContact CA-O 3.49Å; L35-I68 HydrophobicContact CB-CG2 3.89Å; L35-I68 HydrophobicContact CD1-CG2 4.24Å; L35-I68 HydrophobicContact CG-CG2 3.98Å; F36-I68 VanDerWaalsContact CD1-O 3.29Å; F36-I68 WeakPolarHBondContact CD1-O 3.43Å; F36-I68 PolarHBondContact N-O 3.42Å; I68-P101 HydrophobicContact CB-CG 4.42Å; I68-P101 HydrophobicContact CD1-CG 3.93Å; I68-P101 HydrophobicContact CG1-CG 3.95Å; I68-I103 HydrophobicContact CD1-CD1 3.61Å; I68-I103 HydrophobicContact CD1-CG1 3.62Å; I68-I103 HydrophobicContact CG1-CD1 3.69Å; I68-I103 HydrophobicContact CG1-CG1 3.73Å
69A98.8Very high97.8Very high0 Ų044.5 Ų44.50%022%0.216CC..EExtended strand (participates in β ladder)trans-90.5162.4177.300000110.8F36 L50 Y100 P101 I102 I103F36-A69 HydrophobicContact CD2-CB 4.29Å; F36-A69 HydrophobicContact CE1-CB 4.15Å; F36-A69 HydrophobicContact CE2-CB 3.63Å; F36-A69 HydrophobicContact CZ-CB 3.55Å; F36-A69 CarbonylContact O-C 3.52Å; F36-A69 VanDerWaalsContact O-CA 3.25Å; F36-A69 WeakPolarHBondContact O-CA 3.36Å; L50-A69 HydrophobicContact CD2-CB 4.49Å; A69-Y100 HydrophobicContact CB-CD2 4.19Å; A69-Y100 HydrophobicContact CB-CE2 4.2Å; A69-P101 PolarHBondContact N-O 3.08Å; A69-I102 HydrophobicContact CB-CB 4.25Å; A69-I102 HydrophobicContact CB-CG1 4.04Å; A69-I102 HydrophobicContact CB-CG2 4Å; A69-I102 WeakPolarHBondContact O-CA 3.4Å; A69-I103 PolarHBondContact O-N 2.67Å
70L98.6Very high97.7Very high0 Ų044.4 Ų44.40%022%0.218CC..EExtended strand (participates in β ladder)trans-148.6136.7176-178.9149.7000111.4F36 S37 H38 I103 D105 L110 M116 T130F36-L70 PolarHBondContact O-N 3.29Å; S37-L70 CarbonylContact C-O 3.44Å; S37-L70 WeakPolarHBondContact CA-O 3.3Å; H38-L70 PolarHBondContact N-O 2.75Å; H38-L70 PolarHBondContact ND1-O 2.67Å; L70-I103 HydrophobicContact CB-CB 4.09Å; L70-I103 HydrophobicContact CB-CD1 4.37Å; L70-I103 HydrophobicContact CD1-CB 4.07Å; L70-I103 HydrophobicContact CD1-CD1 3.99Å; L70-I103 HydrophobicContact CD1-CG2 3.88Å; L70-I103 HydrophobicContact CG-CB 4.06Å; L70-I103 HydrophobicContact CG-CG2 4.18Å; L70-D105 HydrophobicContact CD1-CB 4.22Å; L70-D105 HydrophobicContact CD2-CB 4.24Å; L70-D105 HydrophobicContact CG-CB 4.21Å; L70-L110 HydrophobicContact CD1-CB 4.26Å; L70-L110 HydrophobicContact CD1-CD2 3.47Å; L70-L110 VanDerWaalsContact CD1-CD2 3.47Å; L70-L110 HydrophobicContact CD1-CG 3.92Å; L70-M116 HydrophobicContact CD2-SD 4.17Å; L70-T130 HydrophobicContact CD2-CG2 3.85Å
71S97.9Very high97.6Very high0 Ų044.4 Ų44.40%022%0.218CC..EExtended strand (participates in β ladder)trans-143.8-179.3156.3820000110.8H38 D41 D73 H78 I103 D105H38-S71 WeakPolarHBondContact NE2-CB 3.31Å; H38-S71 PolarHBondContact NE2-OG 2.65Å; H38-S71 WeakPolarHBondContact O-CB 3.42Å; D41-S71 PolarHBondContact OD1-OG 2.68Å; S71-D73 PolarHBondContact O-N 2.85Å; S71-D73 WeakPolarHBondContact OG-CB 3.42Å; S71-D73 PolarHBondContact OG-N 3.13Å; S71-D73 PolarHBondContact OG-OD2 3.11Å; S71-H78 PolarHBondContact OG-CE1 3.14Å; S71-H78 VanDerWaalsContact OG-CE1 3.24Å; S71-I103 PolarHBondContact N-O 3.21Å; S71-D105 PolarHBondContact O-N 3.05Å
72V96.5Very high97.5Very high4 Ų441.2 Ų41.22%0.02420%0.195CC..SBendtrans-88.410.4178.7-57.50000112.7R108 V129 T130V72-R108 HydrophobicContact CB-CG 4.25Å; V72-R108 HydrophobicContact CG1-CG 3.55Å; V72-V129 HydrophobicContact CG2-CB 4.25Å; V72-V129 HydrophobicContact CG2-CG1 4.05Å; V72-T130 HydrophobicContact CG1-CG2 4.18Å
73D96.9Very high97.3Very high3 Ų339.7 Ų39.72%0.01619%0.189CC..SBendtrans-82.5166.6178.5-78.9-65.5000113.2R40 D41 S71 D77 A104 N106R40-D73 VanDerWaalsContact CA-OD2 3.28Å; R40-D73 WeakPolarHBondContact CA-OD2 3.39Å; R40-D73 VanDerWaalsContact CZ-CG 3.5Å; R40-D73 IonicContact CZ-OD1 3.84Å; R40-D73 IonicContact CZ-OD2 3.65Å; R40-D73 IonicContact NE-OD1 2.7Å; R40-D73 IonicContact NE-OD2 3.59Å; R40-D73 VanDerWaalsContact NH1-CG 3.29Å; R40-D73 IonicContact NH1-OD1 3.72Å; R40-D73 PolarHBondContact NH1-OD1 3.29Å; R40-D73 IonicContact NH1-OD2 3.56Å; R40-D73 PolarHBondContact NH1-OD2 3.03Å; R40-D73 IonicContact NH2-OD1 3.66Å; R40-D73 PolarHBondContact NH2-OD1 2.88Å; R40-D73 IonicContact NH2-OD2 2.75Å; D41-D73 HydrophobicContact CB-CB 4.32Å; D41-D73 PolarHBondContact N-OD2 3.41Å; S71-D73 PolarHBondContact O-N 2.85Å; S71-D73 WeakPolarHBondContact OG-CB 3.42Å; S71-D73 PolarHBondContact OG-N 3.13Å; S71-D73 PolarHBondContact OG-OD2 3.11Å; D73-D77 HydrophobicContact CB-CB 4.27Å; D73-A104 WeakPolarHBondContact O-CB 3.27Å; D73-N106 VanDerWaalsContact C-OD1 3.24Å; D73-N106 PolarHBondContact O-OD1 2.73Å
74S96.9Very high97.1Very high36 Ų3641.2 Ų41.225%0.25220%0.201SC..  trans-76.6157.2-179.577.70000112E76 D77 H78 N106S74-E76 PolarHBondContact O-N 3.38Å; S74-D77 PolarHBondContact O-N 3.5Å; S74-D77 VanDerWaalsContact O-N 3.16Å; S74-D77 PolarHBondContact OG-N 3.36Å; S74-D77 VanDerWaalsContact OG-N 3.14Å; S74-D77 PolarHBondContact OG-OD2 2.75Å; S74-H78 PolarHBondContact O-N 2.96Å; S74-N106 WeakPolarHBondContact CA-OD1 3.16Å; S74-N106 PolarHBondContact N-OD1 3.04Å
75L97.1Very high97Very high35 Ų3536.9 Ų36.918%0.18318%0.178CC..Hα-helixtrans-61.6-32.2175.7-169.165.3000112.8T17 T18 R79 A104T17-L75 WeakPolarHBondContact O-CD1 3.46Å; T18-L75 HydrophobicContact CG2-CD1 4.09Å; L75-R79 WeakPolarHBondContact O-CG 3.36Å; L75-R79 PolarHBondContact O-N 3.29Å; L75-R79 VanDerWaalsContact O-N 3.15Å; L75-A104 HydrophobicContact CB-CB 4.31Å
76E97Very high96.6Very high140 Ų14037.3 Ų37.365%0.65418%0.179SC*.Hα-helixtrans-67-44175.7-176.4175.5179.200111.2S74 R79 N80S74-E76 PolarHBondContact O-N 3.38Å; E76-R79 PolarHBondContact O-N 2.91Å; E76-N80 PolarHBondContact O-N 3.34Å; E76-N80 VanDerWaalsContact O-N 3.08Å; E76-N80 PolarHBondContact O-ND2 3.17Å
77D97.2Very high96.3Very high53 Ų5336.6 Ų36.628%0.28319%0.187SC..Hα-helixtrans-60-46.9175-68.5-45.8000110.9Y42 D73 S74 R79 N80 W81Y42-D77 HydrophobicContact CE2-CB 4.11Å; Y42-D77 PolarHBondContact OH-O 2.94Å; D73-D77 HydrophobicContact CB-CB 4.27Å; S74-D77 PolarHBondContact O-N 3.5Å; S74-D77 VanDerWaalsContact O-N 3.16Å; S74-D77 PolarHBondContact OG-N 3.36Å; S74-D77 VanDerWaalsContact OG-N 3.14Å; S74-D77 PolarHBondContact OG-OD2 2.75Å; D77-R79 VanDerWaalsContact C-N 3.34Å; D77-R79 PolarHBondContact O-N 3.3Å; D77-N80 PolarHBondContact O-N 3.4Å; D77-W81 VanDerWaalsContact O-CB 3.24Å; D77-W81 WeakPolarHBondContact O-CB 3.45Å; D77-W81 PolarHBondContact O-N 2.89Å
78H97.8Very high96Very high0 Ų041.3 Ų41.30%021%0.205CC..Hα-helixtrans-56.3-46.3177.9-65.3-21.7000112.6T18 D41 S71 S74 S82 I102 I103 A104T18-H78 HydrophobicContact CG2-CB 3.53Å; D41-H78 IonicContact OD1-CE1 3.65Å; D41-H78 IonicContact OD1-ND1 3.38Å; D41-H78 PolarHBondContact OD1-ND1 3.17Å; D41-H78 VanDerWaalsContact OD2-CA 3.28Å; D41-H78 WeakPolarHBondContact OD2-CA 3.24Å; D41-H78 IonicContact OD2-CE1 3.65Å; D41-H78 IonicContact OD2-CG 3.73Å; D41-H78 PolarHBondContact OD2-N 3.36Å; D41-H78 IonicContact OD2-ND1 2.74Å; D41-H78 PolarHBondContact OD2-ND1 3.28Å; S71-H78 PolarHBondContact OG-CE1 3.14Å; S71-H78 VanDerWaalsContact OG-CE1 3.24Å; S74-H78 PolarHBondContact O-N 2.96Å; H78-S82 VanDerWaalsContact O-CB 3.3Å; H78-S82 WeakPolarHBondContact O-CB 3.24Å; H78-S82 PolarHBondContact O-N 3.2Å; H78-S82 PolarHBondContact O-OG 3.38Å; H78-I102 HydrophobicContact CB-CB 4.35Å; H78-I102 HydrophobicContact CB-CD1 4.38Å; H78-I103 PolarHBondContact NE2-O 3.17Å; H78-I103 VanDerWaalsContact NE2-O 3.15Å; H78-A104 WeakPolarHBondContact NE2-CA 3.45Å
79R95.4Very high95.4Very high135 Ų13542 Ų4251%0.50921%0.208SC..Hα-helixtrans-65.3-39.2-179.2-74.8175.1176.2149.31112.1T18 L75 E76 D77T18-R79 HydrophobicContact CG2-CG 4.31Å; L75-R79 WeakPolarHBondContact O-CG 3.36Å; L75-R79 PolarHBondContact O-N 3.29Å; L75-R79 VanDerWaalsContact O-N 3.15Å; E76-R79 PolarHBondContact O-N 2.91Å; D77-R79 VanDerWaalsContact C-N 3.34Å; D77-R79 PolarHBondContact O-N 3.3Å
80N95.4Very high93.6Very high60 Ų6047.4 Ų47.432%0.32125%0.245SC..Hα-helixtrans-74.4-45.9179.1-75-35.3000111.3Y42 E76 D77 S82 K83Y42-N80 WeakPolarHBondContact OH-CB 3.48Å; E76-N80 PolarHBondContact O-N 3.34Å; E76-N80 VanDerWaalsContact O-N 3.08Å; E76-N80 PolarHBondContact O-ND2 3.17Å; D77-N80 PolarHBondContact O-N 3.4Å; N80-S82 VanDerWaalsContact C-N 3.3Å; N80-S82 PolarHBondContact O-N 2.81Å; N80-K83 VanDerWaalsContact O-CB 3.31Å; N80-K83 WeakPolarHBondContact O-CB 3.48Å; N80-K83 PolarHBondContact O-N 3.13Å; N80-K83 VanDerWaalsContact O-N 3.14Å; N80-K83 PolarHBondContact OD1-NZ 3.45Å
81W96.9Very high91.7Very high0 Ų053.5 Ų53.50%027%0.274CS..Hα-helixtrans-66.9-28.5178.7-177.552.7000113.3H38 D41 Y42 C46 T47 L50 D77 K83 D84 I85H38-W81 AromaticContact CD2-CH2 3.84Å; H38-W81 AromaticContact CD2-CZ3 3.87Å; H38-W81 AromaticContact CE1-CZ3 3.75Å; H38-W81 AromaticContact NE2-CH2 3.74Å; H38-W81 AromaticContact NE2-CZ3 3.27Å; H38-W81 VanDerWaalsContact NE2-CZ3 3.27Å; H38-W81 WeakPolarHBondContact NE2-CZ3 3.42Å; D41-W81 HydrophobicContact CB-CB 4.2Å; D41-W81 HydrophobicContact CB-CD2 3.84Å; D41-W81 HydrophobicContact CB-CE3 3.78Å; D41-W81 HydrophobicContact CB-CG 4.02Å; D41-W81 HydrophobicContact CB-CZ3 4.42Å; Y42-W81 HydrophobicContact CD1-CB 4.11Å; Y42-W81 AromaticContact CD1-CD1 3.5Å; Y42-W81 HydrophobicContact CD1-CG 4.06Å; Y42-W81 HydrophobicContact CE1-CB 3.66Å; Y42-W81 AromaticContact CE1-CD1 3.88Å; Y42-W81 HydrophobicContact CE1-CG 4.11Å; Y42-W81 HydrophobicContact CE2-CB 4.15Å; Y42-W81 AromaticContact CG-CD1 3.98Å; Y42-W81 HydrophobicContact CG-CG 4.36Å; Y42-W81 PolarHBondContact OH-N 3.12Å; C46-W81 HydrophobicContact CB-CH2 3.73Å; C46-W81 HydrophobicContact CB-CZ2 3.8Å; T47-W81 PolarHBondContact OG1-NE1 3.32Å; T47-W81 VanDerWaalsContact OG1-NE1 3.17Å; L50-W81 HydrophobicContact CD1-CH2 4.06Å; L50-W81 HydrophobicContact CD2-CH2 3.67Å; L50-W81 HydrophobicContact CD2-CZ3 3.5Å; L50-W81 VanDerWaalsContact CD2-CZ3 3.5Å; L50-W81 HydrophobicContact CG-CH2 4.3Å; D77-W81 VanDerWaalsContact O-CB 3.24Å; D77-W81 WeakPolarHBondContact O-CB 3.45Å; D77-W81 PolarHBondContact O-N 2.89Å; W81-K83 PolarHBondContact O-N 3.32Å; W81-K83 VanDerWaalsContact O-N 3.14Å; W81-D84 WeakPolarHBondContact O-CB 3.37Å; W81-D84 PolarHBondContact O-N 2.7Å; W81-I85 HydrophobicContact CD2-CD1 3.74Å; W81-I85 HydrophobicContact CD2-CG1 4.18Å; W81-I85 HydrophobicContact CE3-CD1 3.61Å; W81-I85 HydrophobicContact CH2-CD1 3.76Å; W81-I85 HydrophobicContact CH2-CG1 4.39Å; W81-I85 HydrophobicContact CZ2-CD1 3.87Å; W81-I85 HydrophobicContact CZ2-CG1 4.02Å; W81-I85 HydrophobicContact CZ3-CD1 3.62Å; W81-I85 PolarHBondContact O-N 3.21Å; W81-I85 VanDerWaalsContact O-N 3.11Å
82S95.2Very high89.8Confident15 Ų1562.1 Ų62.111%0.10531%0.314CS..Hα-helixtrans-54.1-32.5171.9-66.60000112.4H78 N80 I85 L86 L98H78-S82 VanDerWaalsContact O-CB 3.3Å; H78-S82 WeakPolarHBondContact O-CB 3.24Å; H78-S82 PolarHBondContact O-N 3.2Å; H78-S82 PolarHBondContact O-OG 3.38Å; N80-S82 VanDerWaalsContact C-N 3.3Å; N80-S82 PolarHBondContact O-N 2.81Å; S82-I85 PolarHBondContact O-N 3.17Å; S82-L86 VanDerWaalsContact O-CG 3.26Å; S82-L86 WeakPolarHBondContact O-CG 3.38Å; S82-L86 PolarHBondContact O-N 2.86Å; S82-L98 WeakPolarHBondContact OG-CD1 3.27Å
83K93.7Very high87.9Confident122 Ų12265 Ų6553%0.5333%0.332SS..Hα-helixtrans-66.1-38.7176-57.8170.8-175.4164.90111.8N80 W81 L86 A87N80-K83 VanDerWaalsContact O-CB 3.31Å; N80-K83 WeakPolarHBondContact O-CB 3.48Å; N80-K83 PolarHBondContact O-N 3.13Å; N80-K83 VanDerWaalsContact O-N 3.14Å; N80-K83 PolarHBondContact OD1-NZ 3.45Å; W81-K83 PolarHBondContact O-N 3.32Å; W81-K83 VanDerWaalsContact O-N 3.14Å; K83-L86 PolarHBondContact O-N 2.83Å; K83-A87 WeakPolarHBondContact O-CB 3.29Å; K83-A87 PolarHBondContact O-N 2.98Å
84D94.9Very high86Confident82 Ų8274 Ų7444%0.43937%0.373SS..Hα-helixtrans-67.8-40176.4-67.6-5.1000111.3W81 L86 A87 Y88W81-D84 WeakPolarHBondContact O-CB 3.37Å; W81-D84 PolarHBondContact O-N 2.7Å; D84-L86 VanDerWaalsContact C-N 3.34Å; D84-A87 PolarHBondContact O-N 3.27Å; D84-Y88 WeakPolarHBondContact O-CB 3.24Å; D84-Y88 PolarHBondContact O-N 2.99Å
85I95Very high84.3Confident0 Ų076 Ų760%040%0.401CS..Hα-helixtrans-61.5-45175.9-64.3162.9000110.5T47 L50 W81 S82 Y88 N89 L98T47-I85 HydrophobicContact CG2-CG1 4.2Å; L50-I85 HydrophobicContact CB-CD1 3.81Å; L50-I85 HydrophobicContact CB-CG1 4.31Å; L50-I85 HydrophobicContact CB-CG2 4.09Å; L50-I85 HydrophobicContact CD2-CD1 3.67Å; L50-I85 HydrophobicContact CG-CD1 4.39Å; W81-I85 HydrophobicContact CD2-CD1 3.74Å; W81-I85 HydrophobicContact CD2-CG1 4.18Å; W81-I85 HydrophobicContact CE3-CD1 3.61Å; W81-I85 HydrophobicContact CH2-CD1 3.76Å; W81-I85 HydrophobicContact CH2-CG1 4.39Å; W81-I85 HydrophobicContact CZ2-CD1 3.87Å; W81-I85 HydrophobicContact CZ2-CG1 4.02Å; W81-I85 HydrophobicContact CZ3-CD1 3.62Å; W81-I85 PolarHBondContact O-N 3.21Å; W81-I85 VanDerWaalsContact O-N 3.11Å; S82-I85 PolarHBondContact O-N 3.17Å; I85-Y88 WeakPolarHBondContact O-CB 3.16Å; I85-Y88 PolarHBondContact O-N 2.98Å; I85-N89 PolarHBondContact O-N 2.87Å; I85-L98 HydrophobicContact CB-CD2 4.37Å; I85-L98 HydrophobicContact CD1-CD1 4.11Å; I85-L98 HydrophobicContact CG2-CD2 3.79Å
86L92Very high83.1Confident15 Ų1577 Ų778%0.07941%0.409CS..Hα-helixtrans-66.1-42.4177.3-68.2169000111.4S82 K83 D84 Y88 N89 T93 C96 L98S82-L86 VanDerWaalsContact O-CG 3.26Å; S82-L86 WeakPolarHBondContact O-CG 3.38Å; S82-L86 PolarHBondContact O-N 2.86Å; K83-L86 PolarHBondContact O-N 2.83Å; D84-L86 VanDerWaalsContact C-N 3.34Å; L86-Y88 VanDerWaalsContact C-N 3.32Å; L86-Y88 PolarHBondContact O-N 2.78Å; L86-N89 PolarHBondContact O-N 2.77Å; L86-T93 HydrophobicContact CB-CG2 3.93Å; L86-C96 HydrophobicContact CD1-CB 4.16Å; L86-C96 WeakPolarHBondContact CD1-O 3.3Å; L86-C96 HydrophobicContact CD2-CB 4.37Å; L86-L98 HydrophobicContact CD2-CD2 3.95Å; L86-L98 HydrophobicContact CG-CD2 4.19Å
87A92.1Very high82.5Confident57 Ų5778.6 Ų78.647%0.47142%0.417SS..Hα-helixtrans-60.7-40.3175.500000112.1K83 D84 N89 C90 T93K83-A87 WeakPolarHBondContact O-CB 3.29Å; K83-A87 PolarHBondContact O-N 2.98Å; D84-A87 PolarHBondContact O-N 3.27Å; A87-N89 PolarHBondContact O-N 2.9Å; A87-C90 PolarHBondContact O-N 3.39Å; A87-T93 HydrophobicContact CB-CG2 4.08Å
88Y91.9Very high82.3Confident110 Ų11077.1 Ų77.143%0.43141%0.409SS..Hα-helixtrans-59.9-30.5174.3171.6-102.4000112.8T47 T48 D84 I85 L86 C90T47-Y88 HydrophobicContact CG2-CG 4.3Å; T48-Y88 HydrophobicContact CG2-CE1 4.39Å; T48-Y88 HydrophobicContact CG2-CE2 4.19Å; D84-Y88 WeakPolarHBondContact O-CB 3.24Å; D84-Y88 PolarHBondContact O-N 2.99Å; I85-Y88 WeakPolarHBondContact O-CB 3.16Å; I85-Y88 PolarHBondContact O-N 2.98Å; L86-Y88 VanDerWaalsContact C-N 3.32Å; L86-Y88 PolarHBondContact O-N 2.78Å; Y88-C90 VanDerWaalsContact C-N 3.32Å; Y88-C90 PolarHBondContact O-N 2.82Å
89N85.4Confident82.2Confident14 Ų1480.6 Ų80.68%0.07543%0.431CS..THydrogen-bonded Turntrans-80.4-7-179.6-83.6-16.8000114.8G51 R55 I85 L86 A87G51-N89 WeakPolarHBondContact CA-ND2 3.37Å; G51-N89 WeakPolarHBondContact CA-OD1 3.46Å; G51-N89 PolarHBondContact O-ND2 2.91Å; G51-N89 PolarHBondContact O-OD1 2.75Å; R55-N89 PolarHBondContact NE-OD1 3.01Å; R55-N89 VanDerWaalsContact NE-OD1 3.14Å; R55-N89 PolarHBondContact NH2-O 3.16Å; I85-N89 PolarHBondContact O-N 2.87Å; L86-N89 PolarHBondContact O-N 2.77Å; A87-N89 PolarHBondContact O-N 2.9Å
90C62.8Low82.3Confident115 Ų11574.4 Ų74.478%0.77741%0.408SS*.THydrogen-bonded Turntrans66.235.2-179.9-56.70000115.5A87 Y88A87-C90 PolarHBondContact O-N 3.39Å; Y88-C90 VanDerWaalsContact C-N 3.32Å; Y88-C90 PolarHBondContact O-N 2.82Å
91E58.7Low82.4Confident128 Ų12872 Ų7260%0.59840%0.396SS*.SBendtrans-106.9147.1169.5-64.9-172.8173.300109.9T93E91-T93 WeakPolarHBondContact O-CG2 3.45Å; E91-T93 PolarHBondContact O-N 2.97Å
92E56.9Low82.5Confident180 Ų18072 Ų7284%0.84140%0.396SS*.  trans-50.9114.6171.4-71.7-172.7161.800108.6E94 C96E92-E94 VanDerWaalsContact C-N 3.31Å; E92-E94 PolarHBondContact O-N 3Å; E92-C96 PolarHBondContact O-SG 3.37Å; E92-C96 VanDerWaalsContact O-SG 3.37Å
93T56.1Low82.7Confident65 Ų6571.4 Ų71.440%0.39939%0.392SS..  trans-82.7-9.6-168.354.70000113.3L86 A87 E91 G95L86-T93 HydrophobicContact CB-CG2 3.93Å; A87-T93 HydrophobicContact CB-CG2 4.08Å; E91-T93 WeakPolarHBondContact O-CG2 3.45Å; E91-T93 PolarHBondContact O-N 2.97Å; T93-G95 PolarHBondContact O-N 2.95Å; T93-G95 VanDerWaalsContact O-N 3.1Å
94E57.3Low82.9Confident191 Ų19166.1 Ų66.189%0.89337%0.371SS*.THydrogen-bonded Turntrans-71.7104.7178.9-84.3-174.2169.200110.7E92E92-E94 VanDerWaalsContact C-N 3.31Å; E92-E94 PolarHBondContact O-N 3Å
95G61.1Low83Confident80 Ų8062.9 Ų62.983%0.82535%0.353SS*.THydrogen-bonded Turntrans90.7-2.3176.400000115T93T93-G95 PolarHBondContact O-N 2.95Å; T93-G95 VanDerWaalsContact O-N 3.1Å
96C71.8Confident82.9Confident54 Ų5466.2 Ų66.237%0.36537%0.371SS..  trans-79.3134.2170.3-74.90000110.7L86 E92L86-C96 HydrophobicContact CD1-CB 4.16Å; L86-C96 WeakPolarHBondContact CD1-O 3.3Å; L86-C96 HydrophobicContact CD2-CB 4.37Å; E92-C96 PolarHBondContact O-SG 3.37Å; E92-C96 VanDerWaalsContact O-SG 3.37Å
97E85.5Confident83Confident174 Ų17473 Ų7381%0.81340%0.4SS*.  trans-115.4155.9171.6-65.2-172.7163.200109.4
98L93.1Very high83.1Confident23 Ų2372.1 Ų72.112%0.1238%0.384CS..  trans-63.6140.5172.8-70.2176.1000109.8A54 S82 I85 L86 Y100 I102A54-L98 HydrophobicContact CB-CD2 4.15Å; S82-L98 WeakPolarHBondContact OG-CD1 3.27Å; I85-L98 HydrophobicContact CB-CD2 4.37Å; I85-L98 HydrophobicContact CD1-CD1 4.11Å; I85-L98 HydrophobicContact CG2-CD2 3.79Å; L86-L98 HydrophobicContact CD2-CD2 3.95Å; L86-L98 HydrophobicContact CG-CD2 4.19Å; L98-Y100 HydrophobicContact CB-CE2 4.47Å; L98-Y100 HydrophobicContact CD1-CE2 4.16Å; L98-Y100 PolarHBondContact O-N 2.89Å; L98-I102 HydrophobicContact CD1-CD1 3.91Å; L98-I102 HydrophobicContact CD1-CG1 4.43Å
99P95.1Very high83.2Confident72 Ų7272 Ų7247%0.46839%0.388SS..SBendtrans-73.78.1-178.230.4-34.6000113.4A54 S57A54-P99 HydrophobicContact CB-CG 4.1Å; S57-P99 WeakPolarHBondContact OG-CG 3.38Å
100Y97.3Very high83.8Confident6 Ų671.4 Ų71.42%0.02438%0.384CS..SBendtrans-148148.8178.351.3-97.4000110.4F36 L50 V53 A54 L67 A69 L98F36-Y100 HydrophobicContact CZ-CD2 4.1Å; F36-Y100 AromaticContact CZ-CE2 3.93Å; F36-Y100 HydrophobicContact CZ-CE2 3.93Å; L50-Y100 WeakPolarHBondContact CA-OH 3.07Å; L50-Y100 WeakPolarHBondContact CB-OH 3.33Å; L50-Y100 HydrophobicContact CD2-CE2 4.37Å; L50-Y100 HydrophobicContact CG-CE2 4.48Å; L50-Y100 PolarHBondContact O-OH 2.78Å; V53-Y100 HydrophobicContact CB-CE1 3.74Å; V53-Y100 HydrophobicContact CG1-CD1 3.78Å; V53-Y100 HydrophobicContact CG1-CE1 3.38Å; A54-Y100 HydrophobicContact CB-CE1 4.13Å; L67-Y100 HydrophobicContact CB-CD1 4.37Å; L67-Y100 HydrophobicContact CB-CG 4.24Å; L67-Y100 HydrophobicContact CD1-CD1 4.17Å; L67-Y100 WeakPolarHBondContact O-CB 3.43Å; A69-Y100 HydrophobicContact CB-CD2 4.19Å; A69-Y100 HydrophobicContact CB-CE2 4.2Å; L98-Y100 HydrophobicContact CB-CE2 4.47Å; L98-Y100 HydrophobicContact CD1-CE2 4.16Å; L98-Y100 PolarHBondContact O-N 2.89Å
101P98.1Very high85.4Confident10 Ų1065.9 Ų65.97%0.06535%0.347CS..  trans-75.1156.3174.527-29000112.5T17 T18 A19 Y27 I68 A69T17-P101 HydrophobicContact CG2-CB 4.48Å; T18-P101 WeakPolarHBondContact OG1-CA 3.36Å; A19-P101 HydrophobicContact CB-CB 4.01Å; Y27-P101 HydrophobicContact CE2-CG 3.77Å; Y27-P101 WeakPolarHBondContact OH-CD 3.36Å; Y27-P101 WeakPolarHBondContact OH-CG 3.47Å; I68-P101 HydrophobicContact CB-CG 4.42Å; I68-P101 HydrophobicContact CD1-CG 3.93Å; I68-P101 HydrophobicContact CG1-CG 3.95Å; A69-P101 PolarHBondContact N-O 3.08Å
102I98.7Very high87.1Confident0 Ų063 Ų630%034%0.338CS..EExtended strand (participates in β ladder)trans-114.1123.8169.5-44.5-177.1000108.5T17 T18 L50 A69 H78 L98T17-I102 CarbonylContact C-O 3.59Å; T17-I102 WeakPolarHBondContact CA-O 3.48Å; T18-I102 HydrophobicContact CG2-CB 4.1Å; T18-I102 HydrophobicContact CG2-CG1 4.42Å; T18-I102 PolarHBondContact N-O 3.05Å; T18-I102 PolarHBondContact OG1-N 2.89Å; L50-I102 HydrophobicContact CD2-CD1 3.99Å; A69-I102 HydrophobicContact CB-CB 4.25Å; A69-I102 HydrophobicContact CB-CG1 4.04Å; A69-I102 HydrophobicContact CB-CG2 4Å; A69-I102 WeakPolarHBondContact O-CA 3.4Å; H78-I102 HydrophobicContact CB-CB 4.35Å; H78-I102 HydrophobicContact CB-CD1 4.38Å; L98-I102 HydrophobicContact CD1-CD1 3.91Å; L98-I102 HydrophobicContact CD1-CG1 4.43Å
103I98.8Very high88.9Confident2 Ų255.5 Ų55.51%0.0131%0.307CS..EExtended strand (participates in β ladder)trans-77130.6175.3-63.2163.4000109.9V15 E16 T17 L24 L35 I68 A69 L70 S71 H78 D105 L110V15-I103 HydrophobicContact CB-CG1 4.35Å; V15-I103 HydrophobicContact CB-CG2 3.93Å; V15-I103 HydrophobicContact CG1-CG2 4.13Å; V15-I103 HydrophobicContact CG2-CD1 4.18Å; V15-I103 HydrophobicContact CG2-CG1 4.04Å; E16-I103 WeakPolarHBondContact O-CA 3.36Å; T17-I103 HydrophobicContact CG2-CG1 3.83Å; L24-I103 HydrophobicContact CD2-CD1 4.13Å; L35-I103 HydrophobicContact CD1-CD1 4.18Å; I68-I103 HydrophobicContact CD1-CD1 3.61Å; I68-I103 HydrophobicContact CD1-CG1 3.62Å; I68-I103 HydrophobicContact CG1-CD1 3.69Å; I68-I103 HydrophobicContact CG1-CG1 3.73Å; A69-I103 PolarHBondContact O-N 2.67Å; L70-I103 HydrophobicContact CB-CB 4.09Å; L70-I103 HydrophobicContact CB-CD1 4.37Å; L70-I103 HydrophobicContact CD1-CB 4.07Å; L70-I103 HydrophobicContact CD1-CD1 3.99Å; L70-I103 HydrophobicContact CD1-CG2 3.88Å; L70-I103 HydrophobicContact CG-CB 4.06Å; L70-I103 HydrophobicContact CG-CG2 4.18Å; S71-I103 PolarHBondContact N-O 3.21Å; H78-I103 PolarHBondContact NE2-O 3.17Å; H78-I103 VanDerWaalsContact NE2-O 3.15Å; I103-D105 HydrophobicContact CG2-CB 4.44Å; I103-L110 HydrophobicContact CD1-CD2 4.16Å
104A98.4Very high90.8Very high11 Ų1152.6 Ų52.69%0.09129%0.289CS..EExtended strand (participates in β ladder)trans-92.691.6171.900000111.1E16 D73 L75 H78 N106E16-A104 PolarHBondContact O-N 3.39Å; D73-A104 WeakPolarHBondContact O-CB 3.27Å; L75-A104 HydrophobicContact CB-CB 4.31Å; H78-A104 WeakPolarHBondContact NE2-CA 3.45Å; A104-N106 VanDerWaalsContact C-N 3.34Å; A104-N106 PolarHBondContact O-N 2.85Å
105D97.6Very high92.7Very high13 Ų1345.3 Ų45.37%0.0727%0.265CS..  trans-93.755.6-179.5-171.323.1000112.3L70 S71 I103 K107 R108 E109 L110 A111L70-D105 HydrophobicContact CD1-CB 4.22Å; L70-D105 HydrophobicContact CD2-CB 4.24Å; L70-D105 HydrophobicContact CG-CB 4.21Å; S71-D105 PolarHBondContact O-N 3.05Å; I103-D105 HydrophobicContact CG2-CB 4.44Å; D105-K107 PolarHBondContact O-N 3.46Å; D105-K107 VanDerWaalsContact O-N 3.09Å; D105-R108 VanDerWaalsContact CG-CA 3.5Å; D105-R108 PolarHBondContact O-N 3.3Å; D105-R108 WeakPolarHBondContact OD1-CA 3.33Å; D105-R108 PolarHBondContact OD1-N 2.94Å; D105-R108 VanDerWaalsContact OD1-N 3.16Å; D105-R108 VanDerWaalsContact OD2-CA 3.24Å; D105-R108 WeakPolarHBondContact OD2-CA 3.45Å; D105-E109 PolarHBondContact OD1-N 3.18Å; D105-L110 PolarHBondContact OD1-N 3Å; D105-L110 PolarHBondContact OD2-N 3.14Å; D105-A111 VanDerWaalsContact OD2-CB 3.24Å; D105-A111 WeakPolarHBondContact OD2-CB 3.45Å; D105-A111 PolarHBondContact OD2-N 3.24Å
106N92.6Very high94.3Very high71 Ų7141.5 Ų41.538%0.3823%0.226SC..THydrogen-bonded Turntrans-54.3-34-176.6-66.9-53.2000113.3D73 S74 A104 R108D73-N106 VanDerWaalsContact C-OD1 3.24Å; D73-N106 PolarHBondContact O-OD1 2.73Å; S74-N106 WeakPolarHBondContact CA-OD1 3.16Å; S74-N106 PolarHBondContact N-OD1 3.04Å; A104-N106 VanDerWaalsContact C-N 3.34Å; A104-N106 PolarHBondContact O-N 2.85Å; N106-R108 PolarHBondContact O-NH1 2.94Å
107K93.1Very high95.4Very high158 Ų15841.5 Ų41.569%0.68722%0.222SC*.THydrogen-bonded Turntrans-86.3-8-179.4-61.9-176.5-174.9171.70113.4D105 E109D105-K107 PolarHBondContact O-N 3.46Å; D105-K107 VanDerWaalsContact O-N 3.09Å; K107-E109 HydrophobicContact CB-CG 3.82Å; K107-E109 WeakPolarHBondContact CD-OE1 3.26Å; K107-E109 PolarHBondContact O-N 2.77Å
108R94.8Very high95.5Very high38 Ų3834 Ų3414%0.14319%0.187CC..  trans59.621.8-176-60.6126.7169.7118.6-6.9113.6V72 D105 N106 A111 V112 L117 D123 I127 P128V72-R108 HydrophobicContact CB-CG 4.25Å; V72-R108 HydrophobicContact CG1-CG 3.55Å; D105-R108 VanDerWaalsContact CG-CA 3.5Å; D105-R108 PolarHBondContact O-N 3.3Å; D105-R108 WeakPolarHBondContact OD1-CA 3.33Å; D105-R108 PolarHBondContact OD1-N 2.94Å; D105-R108 VanDerWaalsContact OD1-N 3.16Å; D105-R108 VanDerWaalsContact OD2-CA 3.24Å; D105-R108 WeakPolarHBondContact OD2-CA 3.45Å; N106-R108 PolarHBondContact O-NH1 2.94Å; R108-A111 HydrophobicContact CB-CB 4.26Å; R108-V112 HydrophobicContact CB-CG2 4.43Å; R108-V112 VanDerWaalsContact O-CB 3.28Å; R108-V112 WeakPolarHBondContact O-CB 3.48Å; R108-V112 WeakPolarHBondContact O-CG2 3.44Å; R108-V112 PolarHBondContact O-N 3.4Å; R108-L117 HydrophobicContact CB-CD2 4.43Å; R108-L117 HydrophobicContact CG-CD2 4.3Å; R108-D123 IonicContact CZ-OD2 3.68Å; R108-D123 IonicContact NH2-OD2 3.94Å; R108-D123 PolarHBondContact NH2-OD2 2.94Å; R108-I127 VanDerWaalsContact NE-CG2 3.33Å; R108-P128 PolarHBondContact NE-O 3.24Å; R108-P128 VanDerWaalsContact NE-O 3.08Å
109E95Very high94.9Very high106 Ų10638.6 Ų38.650%0.49522%0.219SC..Hα-helixtrans-67.9-44.5-175.4-71.5175.4-174.900109.8F13 D105 K107 A113F13-E109 HydrophobicContact CE1-CB 4.11Å; D105-E109 PolarHBondContact OD1-N 3.18Å; K107-E109 HydrophobicContact CB-CG 3.82Å; K107-E109 WeakPolarHBondContact CD-OE1 3.26Å; K107-E109 PolarHBondContact O-N 2.77Å; E109-A113 VanDerWaalsContact O-CB 3.3Å; E109-A113 WeakPolarHBondContact O-CB 3.21Å; E109-A113 PolarHBondContact O-N 3Å
110L96.4Very high94.5Very high2 Ų240.4 Ų40.41%0.0123%0.228CC..Hα-helixtrans-73-41.1178.3-173.756000111.3F13 V15 L24 L35 L70 I103 D105 V112 A113 L114F13-L110 HydrophobicContact CB-CD1 4.4Å; F13-L110 HydrophobicContact CD1-CB 4.48Å; F13-L110 HydrophobicContact CD1-CD1 4.36Å; F13-L110 HydrophobicContact CD2-CD1 4.13Å; F13-L110 HydrophobicContact CG-CD1 4.04Å; V15-L110 HydrophobicContact CG1-CD2 3.9Å; L24-L110 HydrophobicContact CD1-CD1 4.21Å; L24-L110 HydrophobicContact CD1-CD2 4.08Å; L35-L110 HydrophobicContact CD1-CD2 4.43Å; L70-L110 HydrophobicContact CD1-CB 4.26Å; L70-L110 HydrophobicContact CD1-CD2 3.47Å; L70-L110 VanDerWaalsContact CD1-CD2 3.47Å; L70-L110 HydrophobicContact CD1-CG 3.92Å; I103-L110 HydrophobicContact CD1-CD2 4.16Å; D105-L110 PolarHBondContact OD1-N 3Å; D105-L110 PolarHBondContact OD2-N 3.14Å; L110-V112 VanDerWaalsContact C-N 3.32Å; L110-V112 PolarHBondContact O-N 3.42Å; L110-A113 PolarHBondContact O-N 3.23Å; L110-L114 HydrophobicContact CD1-CD1 3.52Å; L110-L114 HydrophobicContact CD1-CG 3.85Å; L110-L114 HydrophobicContact CG-CD1 3.88Å; L110-L114 HydrophobicContact CG-CG 4.45Å; L110-L114 WeakPolarHBondContact O-CB 3.25Å; L110-L114 WeakPolarHBondContact O-CG 3.28Å; L110-L114 PolarHBondContact O-N 3.18Å
111A96.1Very high94Very high0 Ų044 Ų440%025%0.246CC..Hα-helixtrans-58.9-41.1175.100000112.4D105 R108 G115 M116 L117 T130D105-A111 VanDerWaalsContact OD2-CB 3.24Å; D105-A111 WeakPolarHBondContact OD2-CB 3.45Å; D105-A111 PolarHBondContact OD2-N 3.24Å; R108-A111 HydrophobicContact CB-CB 4.26Å; A111-G115 PolarHBondContact O-N 3.05Å; A111-G115 VanDerWaalsContact O-N 3.14Å; A111-M116 HydrophobicContact CB-CB 4.33Å; A111-M116 PolarHBondContact O-N 3.44Å; A111-L117 HydrophobicContact CB-CD2 3.79Å; A111-L117 HydrophobicContact CB-CG 4.27Å; A111-T130 HydrophobicContact CB-CG2 3.57Å
112V95Very high93.7Very high67 Ų6749.4 Ų49.441%0.40627%0.268SS..Hα-helixtrans-70.4-44.3175.2169.70000111.1R108 L110 L114 G115 L117R108-V112 HydrophobicContact CB-CG2 4.43Å; R108-V112 VanDerWaalsContact O-CB 3.28Å; R108-V112 WeakPolarHBondContact O-CB 3.48Å; R108-V112 WeakPolarHBondContact O-CG2 3.44Å; R108-V112 PolarHBondContact O-N 3.4Å; L110-V112 VanDerWaalsContact C-N 3.32Å; L110-V112 PolarHBondContact O-N 3.42Å; V112-L114 VanDerWaalsContact C-N 3.26Å; V112-L114 PolarHBondContact O-N 2.7Å; V112-G115 PolarHBondContact O-N 2.7Å; V112-L117 HydrophobicContact CG2-CD1 3.57Å; V112-L117 HydrophobicContact CG2-CG 4.39Å
113A95.4Very high93.1Very high23 Ų2350.5 Ų50.519%0.1927%0.274CS..Hα-helixtrans-60.8-37.2-179.400000112.2F13 E109 L110F13-A113 HydrophobicContact CE2-CB 4.24Å; F13-A113 HydrophobicContact CZ-CB 3.99Å; E109-A113 VanDerWaalsContact O-CB 3.3Å; E109-A113 WeakPolarHBondContact O-CB 3.21Å; E109-A113 PolarHBondContact O-N 3Å; L110-A113 PolarHBondContact O-N 3.23Å
114L96.5Very high92.5Very high3 Ų359.7 Ų59.72%0.01631%0.314CS..THydrogen-bonded Turntrans-93.6-1.1-178.8-61.4-179.2000113.7L4 L10 P11 L35 L110 V112 M116 F135L4-L114 HydrophobicContact CB-CD2 4.33Å; L4-L114 HydrophobicContact CD2-CD2 4.14Å; L10-L114 HydrophobicContact CD1-CD1 4.38Å; L10-L114 HydrophobicContact CD1-CD2 4.23Å; P11-L114 HydrophobicContact CG-CD2 4.18Å; L35-L114 HydrophobicContact CD1-CD1 4.45Å; L35-L114 HydrophobicContact CD2-CD1 4.43Å; L110-L114 HydrophobicContact CD1-CD1 3.52Å; L110-L114 HydrophobicContact CD1-CG 3.85Å; L110-L114 HydrophobicContact CG-CD1 3.88Å; L110-L114 HydrophobicContact CG-CG 4.45Å; L110-L114 WeakPolarHBondContact O-CB 3.25Å; L110-L114 WeakPolarHBondContact O-CG 3.28Å; L110-L114 PolarHBondContact O-N 3.18Å; V112-L114 VanDerWaalsContact C-N 3.26Å; V112-L114 PolarHBondContact O-N 2.7Å; L114-M116 HydrophobicContact CB-CE 3.64Å; L114-M116 HydrophobicContact CB-CG 3.91Å; L114-M116 HydrophobicContact CB-SD 4.26Å; L114-M116 HydrophobicContact CD1-CE 3.25Å; L114-M116 HydrophobicContact CG-CE 4.06Å; L114-F135 HydrophobicContact CB-CE2 4.47Å; L114-F135 HydrophobicContact CB-CZ 4.2Å
115G95.7Very high91.9Very high38 Ų3864.7 Ų64.739%0.39234%0.339SS..THydrogen-bonded Turntrans68.234.1179.100000113.8A111 V112A111-G115 PolarHBondContact O-N 3.05Å; A111-G115 VanDerWaalsContact O-N 3.14Å; V112-G115 PolarHBondContact O-N 2.7Å
116M95.8Very high91.5Very high0 Ų065.9 Ų65.90%035%0.354CS..  trans-88.5-11.7-174.1-63.3177.5177.800114.9L35 L70 A111 L114 D118 T130 A131 C133 F135L35-M116 HydrophobicContact CD2-CE 3.14Å; L35-M116 HydrophobicContact CD2-SD 4.45Å; L70-M116 HydrophobicContact CD2-SD 4.17Å; A111-M116 HydrophobicContact CB-CB 4.33Å; A111-M116 PolarHBondContact O-N 3.44Å; L114-M116 HydrophobicContact CB-CE 3.64Å; L114-M116 HydrophobicContact CB-CG 3.91Å; L114-M116 HydrophobicContact CB-SD 4.26Å; L114-M116 HydrophobicContact CD1-CE 3.25Å; L114-M116 HydrophobicContact CG-CE 4.06Å; M116-D118 PolarHBondContact O-N 2.71Å; M116-T130 HydrophobicContact CB-CG2 3.89Å; M116-T130 CarbonylContact O-C 3.48Å; M116-T130 WeakPolarHBondContact O-CA 3.39Å; M116-T130 HydrophobicContact SD-CG2 4.44Å; M116-A131 PolarHBondContact O-N 3.48Å; M116-C133 HydrophobicContact CG-CB 4.07Å; M116-F135 HydrophobicContact CE-CD2 3.52Å; M116-F135 HydrophobicContact CE-CE2 3.12Å; M116-F135 HydrophobicContact CE-CZ 4.04Å; M116-F135 HydrophobicContact CG-CE2 3.77Å; M116-F135 HydrophobicContact CG-CZ 4.09Å; M116-F135 HydrophobicContact SD-CE2 4.2Å
117L93.6Very high91.3Very high55 Ų5565.8 Ų65.829%0.28835%0.353SS..EExtended strand (participates in β ladder)trans-67.4132.5-173.1-66179.9000111.3R108 A111 V112 P128 V129 T130R108-L117 HydrophobicContact CB-CD2 4.43Å; R108-L117 HydrophobicContact CG-CD2 4.3Å; A111-L117 HydrophobicContact CB-CD2 3.79Å; A111-L117 HydrophobicContact CB-CG 4.27Å; V112-L117 HydrophobicContact CG2-CD1 3.57Å; V112-L117 HydrophobicContact CG2-CG 4.39Å; L117-P128 HydrophobicContact CB-CB 4.35Å; L117-P128 HydrophobicContact CD1-CB 4.23Å; L117-P128 HydrophobicContact CD2-CB 4.27Å; L117-V129 WeakPolarHBondContact CA-O 3.34Å; L117-T130 HydrophobicContact CD2-CG2 4.48Å
118D87.8Confident91.2Very high15 Ų1560.3 Ų60.38%0.0833%0.334CS..EExtended strand (participates in β ladder)trans-71.3130170.4-169.7-63.1000108.9M116 V120 E121 V129 A131 N151M116-D118 PolarHBondContact O-N 2.71Å; D118-V120 VanDerWaalsContact C-N 3.26Å; D118-V120 PolarHBondContact O-N 3.19Å; D118-V120 PolarHBondContact OD1-N 3.09Å; D118-E121 HydrophobicContact CB-CB 3.9Å; D118-E121 HydrophobicContact CB-CG 4.44Å; D118-E121 PolarHBondContact OD1-N 2.96Å; D118-V129 PolarHBondContact N-O 3.08Å; D118-A131 HydrophobicContact CB-CB 4.2Å; D118-N151 PolarHBondContact OD2-OD1 3.39Å
119P82.1Confident91.2Very high121 Ų12158.7 Ų58.779%0.78633%0.328SS*.EExtended strand (participates in β ladder)trans-71.3-19.7-175.627.8-34.5000113.7
120V85.8Confident91.2Very high109 Ų10953.6 Ų53.666%0.66130%0.304SS*.EExtended strand (participates in β ladder)trans-111.5-42.2-173.6178.20000111D118D118-V120 VanDerWaalsContact C-N 3.26Å; D118-V120 PolarHBondContact O-N 3.19Å; D118-V120 PolarHBondContact OD1-N 3.09Å
121E87.6Confident91.1Very high83 Ų8353.7 Ų53.739%0.38831%0.305SS..EExtended strand (participates in β ladder)trans-78.6131.5-171.1-63.4-7215100111.7D118 P128 V129 N151D118-E121 HydrophobicContact CB-CB 3.9Å; D118-E121 HydrophobicContact CB-CG 4.44Å; D118-E121 PolarHBondContact OD1-N 2.96Å; E121-P128 WeakPolarHBondContact O-CA 3.42Å; E121-V129 HydrophobicContact CB-CG2 3.83Å; E121-V129 PolarHBondContact O-N 3.24Å; E121-N151 WeakPolarHBondContact CB-ND2 3.37Å; E121-N151 HydrophobicContact CG-CB 4.12Å; E121-N151 VanDerWaalsContact CG-ND2 3.27Å; E121-N151 WeakPolarHBondContact CG-ND2 3.49Å
122K90.9Very high91.2Very high123 Ų12354.1 Ų54.154%0.53531%0.307SS..EExtended strand (participates in β ladder)trans-136.8152.6-172.3-70.5170.1172-164.10110.6G126 I127K122-G126 VanDerWaalsContact CD-O 3.26Å; K122-G126 WeakPolarHBondContact CD-O 3.43Å; K122-I127 CarbonylContact C-O 3.57Å; K122-I127 VanDerWaalsContact CA-O 3.29Å; K122-I127 WeakPolarHBondContact CA-O 3.38Å
123D86.4Confident91.3Very high23 Ų2351 Ų5112%0.12329%0.288CS..  trans-72178.1170.17216.5000111.8R108 N125 G126 I127 V129R108-D123 IonicContact CZ-OD2 3.68Å; R108-D123 IonicContact NH2-OD2 3.94Å; R108-D123 PolarHBondContact NH2-OD2 2.94Å; D123-N125 PolarHBondContact O-N 2.93Å; D123-N125 WeakPolarHBondContact OD1-CA 3.24Å; D123-N125 WeakPolarHBondContact OD1-CB 3.44Å; D123-N125 PolarHBondContact OD1-N 3.41Å; D123-G126 PolarHBondContact O-N 2.85Å; D123-G126 PolarHBondContact OD1-N 2.79Å; D123-I127 PolarHBondContact N-O 3.25Å; D123-I127 PolarHBondContact OD1-N 3.36Å; D123-V129 HydrophobicContact CB-CG1 4.11Å
124K85.6Confident91.5Very high195 Ų19550 Ų5085%0.84828%0.279SS*.THydrogen-bonded Turntrans-57.6-20178.566-176.7179.6-1750114.6
125N86.5Confident91.6Very high115 Ų11550.4 Ų50.462%0.61528%0.281SS*.THydrogen-bonded Turntrans-96.14.6178.7-56.8-42.6000111.9D123 I127D123-N125 PolarHBondContact O-N 2.93Å; D123-N125 WeakPolarHBondContact OD1-CA 3.24Å; D123-N125 WeakPolarHBondContact OD1-CB 3.44Å; D123-N125 PolarHBondContact OD1-N 3.41Å; N125-I127 VanDerWaalsContact C-N 3.34Å; N125-I127 HydrophobicContact CB-CD1 4.18Å; N125-I127 HydrophobicContact CB-CG1 4.16Å
126G88.1Confident91.8Very high39 Ų3948.6 Ų48.640%0.40226%0.263SS..SBendtrans78.216.4-178.900000114K122 D123K122-G126 VanDerWaalsContact CD-O 3.26Å; K122-G126 WeakPolarHBondContact CD-O 3.43Å; D123-G126 PolarHBondContact O-N 2.85Å; D123-G126 PolarHBondContact OD1-N 2.79Å
127I88.9Confident91.9Very high69 Ų6948.7 Ų48.735%0.35426%0.263SS..  trans-96133.6-178.6-50175.1000109.3R108 K122 D123 N125R108-I127 VanDerWaalsContact NE-CG2 3.33Å; K122-I127 CarbonylContact C-O 3.57Å; K122-I127 VanDerWaalsContact CA-O 3.29Å; K122-I127 WeakPolarHBondContact CA-O 3.38Å; D123-I127 PolarHBondContact N-O 3.25Å; D123-I127 PolarHBondContact OD1-N 3.36Å; N125-I127 VanDerWaalsContact C-N 3.34Å; N125-I127 HydrophobicContact CB-CD1 4.18Å; N125-I127 HydrophobicContact CB-CG1 4.16Å
128P91.4Very high92.1Very high43 Ų4346.1 Ų46.128%0.27925%0.25SC..EExtended strand (participates in β ladder)trans-53.3145.6179.5-2835.6000113.9R108 L117 E121R108-P128 PolarHBondContact NE-O 3.24Å; R108-P128 VanDerWaalsContact NE-O 3.08Å; L117-P128 HydrophobicContact CB-CB 4.35Å; L117-P128 HydrophobicContact CD1-CB 4.23Å; L117-P128 HydrophobicContact CD2-CB 4.27Å; E121-P128 WeakPolarHBondContact O-CA 3.42Å
129V94.3Very high92.7Very high3 Ų347.7 Ų47.72%0.01826%0.261CS..EExtended strand (participates in β ladder)trans-108.7168172-59.10000109.7P39 R40 V72 L117 D118 E121 D123P39-V129 HydrophobicContact CB-CG2 4.05Å; R40-V129 HydrophobicContact CG-CG1 4.07Å; V72-V129 HydrophobicContact CG2-CB 4.25Å; V72-V129 HydrophobicContact CG2-CG1 4.05Å; L117-V129 WeakPolarHBondContact CA-O 3.34Å; D118-V129 PolarHBondContact N-O 3.08Å; E121-V129 HydrophobicContact CB-CG2 3.83Å; E121-V129 PolarHBondContact O-N 3.24Å; D123-V129 HydrophobicContact CB-CG1 4.11Å
130T94.7Very high93.4Very high0 Ų046.2 Ų46.20%025%0.246CC..EExtended strand (participates in β ladder)trans-72.1147.4173.448.40000111.7H38 P39 L70 V72 A111 M116 L117 N151H38-T130 PolarHBondContact O-OG1 3.42Å; P39-T130 WeakPolarHBondContact CA-O 3.33Å; P39-T130 WeakPolarHBondContact CB-O 3.28Å; P39-T130 WeakPolarHBondContact CG-O 3.35Å; L70-T130 HydrophobicContact CD2-CG2 3.85Å; V72-T130 HydrophobicContact CG1-CG2 4.18Å; A111-T130 HydrophobicContact CB-CG2 3.57Å; M116-T130 HydrophobicContact CB-CG2 3.89Å; M116-T130 CarbonylContact O-C 3.48Å; M116-T130 WeakPolarHBondContact O-CA 3.39Å; M116-T130 HydrophobicContact SD-CG2 4.44Å; L117-T130 HydrophobicContact CD2-CG2 4.48Å; T130-N151 PolarHBondContact O-OD1 3.38Å
131A95.4Very high94Very high4 Ų442.2 Ų42.23%0.03322%0.22CC..  trans-71-177.8160.500000110.6S37 M116 D118 C133 L148 N151S37-A131 PolarHBondContact OG-O 3.28Å; M116-A131 PolarHBondContact O-N 3.48Å; D118-A131 HydrophobicContact CB-CB 4.2Å; A131-C133 PolarHBondContact O-N 3.14Å; A131-L148 HydrophobicContact CB-CD1 3.7Å; A131-N151 WeakPolarHBondContact CA-OD1 3.3Å
132R97.7Very high94.5Very high9 Ų939.4 Ų39.43%0.03421%0.209CC..EExtended strand (participates in β ladder)trans-88.974.8174.7-64.6179.7-168.3-64.6-14.4110.1P39 V45 C46 E49 Y149 N151 T153 R155P39-R132 HydrophobicContact CG-CG 4.28Å; V45-R132 VanDerWaalsContact CG1-CZ 3.46Å; C46-R132 PolarHBondContact SG-NH1 3.41Å; E49-R132 IonicContact OE2-CZ 3.66Å; E49-R132 IonicContact OE2-NH1 3.37Å; E49-R132 PolarHBondContact OE2-NH1 2.85Å; R132-Y149 WeakPolarHBondContact CB-O 3.46Å; R132-Y149 PolarHBondContact N-O 3.43Å; R132-Y149 PolarHBondContact O-N 3.16Å; R132-Y149 VanDerWaalsContact O-N 3.09Å; R132-N151 PolarHBondContact NE-O 2.81Å; R132-N151 PolarHBondContact NH2-O 3.4Å; R132-T153 VanDerWaalsContact CD-O 3.22Å; R132-T153 WeakPolarHBondContact CD-O 3.47Å; R132-R155 HydrophobicContact CB-CG 4.46Å
133C98.1Very high94.9Very high2 Ų233.6 Ų33.61%0.01418%0.183CC..EExtended strand (participates in β ladder)trans-87.1150.3-179.3-51.60000111.3F36 S37 M116 A131 F135 L147 L148 R155F36-C133 CarbonylContact C-O 3.34Å; F36-C133 VanDerWaalsContact CA-O 3.24Å; F36-C133 WeakPolarHBondContact CA-O 3.24Å; S37-C133 PolarHBondContact N-O 2.95Å; S37-C133 WeakPolarHBondContact OG-CB 3.26Å; S37-C133 PolarHBondContact OG-N 2.82Å; M116-C133 HydrophobicContact CG-CB 4.07Å; A131-C133 PolarHBondContact O-N 3.14Å; C133-F135 HydrophobicContact CB-CD2 4.24Å; C133-F135 HydrophobicContact CB-CE2 3.48Å; C133-F135 VanDerWaalsContact CB-CE2 3.48Å; C133-F135 HydrophobicContact CB-CZ 4.15Å; C133-L147 CarbonylContact C-O 3.57Å; C133-L147 VanDerWaalsContact CA-O 3.28Å; C133-L147 WeakPolarHBondContact CA-O 3.29Å; C133-L148 WeakPolarHBondContact SG-CD1 3.34Å; C133-R155 PolarHBondContact O-NH1 3.43Å
134V98.7Very high95.5Very high0 Ų035.7 Ų35.70%019%0.191CC..EExtended strand (participates in β ladder)trans-133.6129.9168.9-178.40000107.2I34 F36 I136 S146 L147 I160I34-V134 HydrophobicContact CG2-CG1 3.79Å; F36-V134 HydrophobicContact CB-CG2 4.2Å; V134-I136 HydrophobicContact CG1-CG1 4.35Å; V134-S146 CarbonylContact O-C 3.54Å; V134-S146 WeakPolarHBondContact O-CA 3.35Å; V134-L147 HydrophobicContact CB-CB 4.17Å; V134-L147 PolarHBondContact N-O 3.34Å; V134-L147 PolarHBondContact O-N 3.45Å; V134-I160 HydrophobicContact CG1-CD1 4.24Å; V134-I160 HydrophobicContact CG1-CG2 4.48Å; V134-I160 HydrophobicContact CG2-CD1 3.84Å
135F98.8Very high96.1Very high12 Ų1228.2 Ų28.25%0.05316%0.16CC..EExtended strand (participates in β ladder)trans-123118.9174.3-61.3-90.3000108.3L4 I34 L35 L114 M116 C133 I137 L143L4-F135 HydrophobicContact CB-CE1 4.3Å; L4-F135 HydrophobicContact CD2-CD1 4.43Å; I34-F135 WeakPolarHBondContact CA-O 3.4Å; L35-F135 HydrophobicContact CD2-CD2 4.05Å; L35-F135 PolarHBondContact N-O 3.08Å; L35-F135 PolarHBondContact O-N 3.04Å; L114-F135 HydrophobicContact CB-CE2 4.47Å; L114-F135 HydrophobicContact CB-CZ 4.2Å; M116-F135 HydrophobicContact CE-CD2 3.52Å; M116-F135 HydrophobicContact CE-CE2 3.12Å; M116-F135 HydrophobicContact CE-CZ 4.04Å; M116-F135 HydrophobicContact CG-CE2 3.77Å; M116-F135 HydrophobicContact CG-CZ 4.09Å; M116-F135 HydrophobicContact SD-CE2 4.2Å; C133-F135 HydrophobicContact CB-CD2 4.24Å; C133-F135 HydrophobicContact CB-CE2 3.48Å; C133-F135 VanDerWaalsContact CB-CE2 3.48Å; C133-F135 HydrophobicContact CB-CZ 4.15Å; F135-I137 HydrophobicContact CB-CD1 4.11Å; F135-L143 HydrophobicContact CB-CD1 3.86Å; F135-L143 HydrophobicContact CD1-CD1 3.72Å; F135-L143 HydrophobicContact CD1-CD2 4.24Å; F135-L143 HydrophobicContact CG-CD1 4.29Å
136I98.9Very high96.7Very high1 Ų125.4 Ų25.41%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-97.8118.2174.7-50.5-173.7000108W32 G33 I34 V134 K144 L145 V163 V164 L167W32-I136 HydrophobicContact CE3-CG2 4.07Å; W32-I136 HydrophobicContact CZ3-CG2 4.25Å; G33-I136 CarbonylContact O-C 3.6Å; G33-I136 WeakPolarHBondContact O-CA 3.26Å; I34-I136 HydrophobicContact CG1-CG1 4.3Å; I34-I136 HydrophobicContact CG1-CG2 4.45Å; V134-I136 HydrophobicContact CG1-CG1 4.35Å; I136-K144 PolarHBondContact O-N 3.37Å; I136-L145 HydrophobicContact CB-CB 4.25Å; I136-L145 HydrophobicContact CD1-CB 4.24Å; I136-L145 HydrophobicContact CD1-CD2 3.95Å; I136-L145 HydrophobicContact CG1-CB 4.34Å; I136-L145 HydrophobicContact CG1-CD2 4.26Å; I136-L145 PolarHBondContact N-O 3.25Å; I136-L145 PolarHBondContact O-N 3.11Å; I136-V163 HydrophobicContact CD1-CG2 3.62Å; I136-V164 HydrophobicContact CD1-CG2 4.18Å; I136-L167 HydrophobicContact CB-CD1 4.28Å; I136-L167 HydrophobicContact CD1-CD1 4.13Å; I136-L167 HydrophobicContact CG2-CD1 3.85Å
137I98.8Very high97.2Very high1 Ų125.7 Ų25.71%0.00514%0.142CC..EExtended strand (participates in β ladder)trans-111.4131.6-171.7-50.6-58.7000108.9L10 G33 F135 T142 L143L10-I137 HydrophobicContact CB-CD1 4.35Å; L10-I137 HydrophobicContact CB-CG2 4.31Å; L10-I137 HydrophobicContact CD1-CD1 4.13Å; L10-I137 HydrophobicContact CD2-CG1 4.27Å; L10-I137 HydrophobicContact CD2-CG2 4.43Å; G33-I137 PolarHBondContact N-O 3.2Å; G33-I137 PolarHBondContact O-N 3.14Å; F135-I137 HydrophobicContact CB-CD1 4.11Å; I137-T142 WeakPolarHBondContact CA-O 3.46Å; I137-L143 HydrophobicContact CD1-CB 4.38Å; I137-L143 HydrophobicContact CD1-CD1 3.77Å
138G98.7Very high97.6Very high1 Ų128.2 Ų28.21%0.0116%0.156CC..  trans-76.3166.5175.900000112.6D140 K141 T142G138-D140 PolarHBondContact O-N 2.9Å; G138-D140 VanDerWaalsContact O-N 3.13Å; G138-K141 WeakPolarHBondContact O-CA 3.27Å; G138-K141 PolarHBondContact O-N 2.74Å; G138-T142 PolarHBondContact N-O 2.81Å
139P98.4Very high97.8Very high48 Ų4829.7 Ų29.731%0.31216%0.156SC..THydrogen-bonded Turntrans-53.7-30.1170.5-30.638.4000113.6D30 W32 K141D30-P139 VanDerWaalsContact O-CB 3.32Å; D30-P139 WeakPolarHBondContact O-CB 3.45Å; W32-P139 HydrophobicContact CG-CG 4.31Å; P139-K141 PolarHBondContact O-N 2.87Å; P139-K141 PolarHBondContact O-NZ 2.85Å
140D98.1Very high97.9Very high90 Ų9032.5 Ų32.548%0.48117%0.174SC..THydrogen-bonded Turntrans-74.58.5174.265.83.7000114.3G138 T142 K144G138-D140 PolarHBondContact O-N 2.9Å; G138-D140 VanDerWaalsContact O-N 3.13Å; D140-T142 PolarHBondContact O-N 2.9Å; D140-T142 PolarHBondContact OD1-N 2.91Å; D140-T142 VanDerWaalsContact OD1-N 3.09Å; D140-T142 PolarHBondContact OD1-OG1 2.81Å; D140-T142 PolarHBondContact OD2-OG1 3.21Å; D140-K144 VanDerWaalsContact OD1-CE 3.26Å; D140-K144 WeakPolarHBondContact OD1-CE 3.39Å; D140-K144 IonicContact OD1-NZ 3.54Å; D140-K144 PolarHBondContact OD1-NZ 2.98Å; D140-K144 IonicContact OD2-NZ 3.34Å; D140-K144 PolarHBondContact OD2-NZ 2.65Å
141K98.5Very high97.7Very high26 Ų2633.4 Ų33.411%0.11318%0.179CC..SBendtrans64.58.6-179-51.1-61.6176.8-72.80115E9 L10 H25 G29 G138 P139E9-K141 HydrophobicContact CG-CB 4.16Å; L10-K141 WeakPolarHBondContact CB-O 3.49Å; L10-K141 PolarHBondContact N-O 3.43Å; H25-K141 HydrophobicContact CB-CD 4.15Å; H25-K141 VanDerWaalsContact O-CE 3.24Å; H25-K141 WeakPolarHBondContact O-CE 3.48Å; G29-K141 WeakPolarHBondContact O-CE 3.5Å; G29-K141 PolarHBondContact O-NZ 3.15Å; G138-K141 WeakPolarHBondContact O-CA 3.27Å; G138-K141 PolarHBondContact O-N 2.74Å; P139-K141 PolarHBondContact O-N 2.87Å; P139-K141 PolarHBondContact O-NZ 2.85Å
142T98.5Very high97.6Very high24 Ų2438.8 Ų38.815%0.14721%0.212CC..BIsolated β-bridgetrans-94.4150.3-179.665.90000112.7G7 D8 I137 G138 D140 K144G7-T142 WeakPolarHBondContact O-CG2 3.44Å; D8-T142 CarbonylContact O-C 3.5Å; D8-T142 VanDerWaalsContact O-CA 3.25Å; D8-T142 WeakPolarHBondContact O-CA 3.5Å; I137-T142 WeakPolarHBondContact CA-O 3.46Å; G138-T142 PolarHBondContact N-O 2.81Å; D140-T142 PolarHBondContact O-N 2.9Å; D140-T142 PolarHBondContact OD1-N 2.91Å; D140-T142 VanDerWaalsContact OD1-N 3.09Å; D140-T142 PolarHBondContact OD1-OG1 2.81Å; D140-T142 PolarHBondContact OD2-OG1 3.21Å; T142-K144 PolarHBondContact O-N 3.23Å; T142-K144 WeakPolarHBondContact OG1-CE 3.27Å; T142-K144 PolarHBondContact OG1-NZ 2.96Å
143L98.7Very high97.6Very high1 Ų141.4 Ų41.41%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-67.7124.2176.1-176.964.5000111L4 L5 L6 G7 D8 F135 I137 L145L4-L143 HydrophobicContact CB-CD2 4.08Å; L4-L143 HydrophobicContact CD2-CB 3.79Å; L4-L143 HydrophobicContact CD2-CD1 4.27Å; L4-L143 HydrophobicContact CD2-CD2 3.96Å; L4-L143 HydrophobicContact CD2-CG 4.21Å; L4-L143 HydrophobicContact CG-CB 4.14Å; L4-L143 HydrophobicContact CG-CD2 3.89Å; L5-L143 WeakPolarHBondContact O-CD2 3.34Å; L6-L143 HydrophobicContact CD2-CD2 4.41Å; L6-L143 HydrophobicContact CD2-CG 4.28Å; G7-L143 PolarHBondContact N-O 3.21Å; D8-L143 PolarHBondContact O-N 2.9Å; F135-L143 HydrophobicContact CB-CD1 3.86Å; F135-L143 HydrophobicContact CD1-CD1 3.72Å; F135-L143 HydrophobicContact CD1-CD2 4.24Å; F135-L143 HydrophobicContact CG-CD1 4.29Å; I137-L143 HydrophobicContact CD1-CB 4.38Å; I137-L143 HydrophobicContact CD1-CD1 3.77Å; L143-L145 VanDerWaalsContact CD1-O 3.28Å; L143-L145 WeakPolarHBondContact CD1-O 3.18Å
144K98.8Very high97.6Very high66 Ų6643.1 Ų43.129%0.28725%0.247SC..EExtended strand (participates in β ladder)trans-104.1-30.6178.5-54.7-52.8-173.3-175.40113.2L6 W32 I136 D140 T142 L167L6-K144 WeakPolarHBondContact CD2-O 3.44Å; W32-K144 HydrophobicContact CH2-CG 4.02Å; W32-K144 HydrophobicContact CZ3-CB 4.04Å; W32-K144 HydrophobicContact CZ3-CG 3.63Å; I136-K144 PolarHBondContact O-N 3.37Å; D140-K144 VanDerWaalsContact OD1-CE 3.26Å; D140-K144 WeakPolarHBondContact OD1-CE 3.39Å; D140-K144 IonicContact OD1-NZ 3.54Å; D140-K144 PolarHBondContact OD1-NZ 2.98Å; D140-K144 IonicContact OD2-NZ 3.34Å; D140-K144 PolarHBondContact OD2-NZ 2.65Å; T142-K144 PolarHBondContact O-N 3.23Å; T142-K144 WeakPolarHBondContact OG1-CE 3.27Å; T142-K144 PolarHBondContact OG1-NZ 2.96Å; K144-L167 HydrophobicContact CB-CD1 4.07Å; K144-L167 HydrophobicContact CB-CD2 4.1Å
145L98.8Very high97.5Very high38 Ų3844 Ų4420%0.19925%0.251CS..EExtended strand (participates in β ladder)trans-158.4143.9177.1-176.2149.3000110I136 L143 L147 V163 L167I136-L145 HydrophobicContact CB-CB 4.25Å; I136-L145 HydrophobicContact CD1-CB 4.24Å; I136-L145 HydrophobicContact CD1-CD2 3.95Å; I136-L145 HydrophobicContact CG1-CB 4.34Å; I136-L145 HydrophobicContact CG1-CD2 4.26Å; I136-L145 PolarHBondContact N-O 3.25Å; I136-L145 PolarHBondContact O-N 3.11Å; L143-L145 VanDerWaalsContact CD1-O 3.28Å; L143-L145 WeakPolarHBondContact CD1-O 3.18Å; L145-L147 HydrophobicContact CD2-CD1 4.47Å; L145-L147 HydrophobicContact CD2-CD2 4.06Å; L145-L147 HydrophobicContact CD2-CG 3.81Å; L145-V163 HydrophobicContact CD1-CB 3.93Å; L145-V163 HydrophobicContact CD1-CG1 4.18Å; L145-V163 HydrophobicContact CD1-CG2 3.98Å; L145-V163 HydrophobicContact CD2-CG2 4.44Å; L145-L167 HydrophobicContact CB-CD1 4.01Å
146S98.4Very high97.5Very high57 Ų5746.3 Ų46.340%0.39927%0.268SS..EExtended strand (participates in β ladder)trans-131143.1169.161.10000112.4V134V134-S146 CarbonylContact O-C 3.54Å; V134-S146 WeakPolarHBondContact O-CA 3.35Å
147L98Very high97.4Very high44 Ų4446.6 Ų46.623%0.2327%0.269CS..EExtended strand (participates in β ladder)trans-120.1138.4169-58.1174.9000109.4C133 V134 L145 Y149 I160C133-L147 CarbonylContact C-O 3.57Å; C133-L147 VanDerWaalsContact CA-O 3.28Å; C133-L147 WeakPolarHBondContact CA-O 3.29Å; V134-L147 HydrophobicContact CB-CB 4.17Å; V134-L147 PolarHBondContact N-O 3.34Å; V134-L147 PolarHBondContact O-N 3.45Å; L145-L147 HydrophobicContact CD2-CD1 4.47Å; L145-L147 HydrophobicContact CD2-CD2 4.06Å; L145-L147 HydrophobicContact CD2-CG 3.81Å; L147-Y149 HydrophobicContact CB-CD1 4.13Å; L147-Y149 HydrophobicContact CB-CE1 4.03Å; L147-Y149 HydrophobicContact CD1-CE1 4.36Å; L147-I160 HydrophobicContact CD1-CG1 4.12Å
148L97.1Very high97.3Very high123 Ų12350.6 Ų50.664%0.64429%0.291SS*.EExtended strand (participates in β ladder)trans-124.6104.3175.4-179.763.2000109.4A131 C133A131-L148 HydrophobicContact CB-CD1 3.7Å; C133-L148 WeakPolarHBondContact SG-CD1 3.34Å
149Y97.5Very high97.3Very high73 Ų7353.8 Ų53.829%0.28631%0.305SS..EExtended strand (participates in β ladder)trans-106.7141.9177.6-80.757.3000109.7R132 L147 T153 R155R132-Y149 WeakPolarHBondContact CB-O 3.46Å; R132-Y149 PolarHBondContact N-O 3.43Å; R132-Y149 PolarHBondContact O-N 3.16Å; R132-Y149 VanDerWaalsContact O-N 3.09Å; L147-Y149 HydrophobicContact CB-CD1 4.13Å; L147-Y149 HydrophobicContact CB-CE1 4.03Å; L147-Y149 HydrophobicContact CD1-CE1 4.36Å; Y149-T153 HydrophobicContact CD2-CG2 3.76Å; Y149-T153 HydrophobicContact CE2-CG2 4.08Å; Y149-R155 HydrophobicContact CD1-CG 4.24Å; Y149-R155 HydrophobicContact CD2-CG 4.07Å; Y149-R155 HydrophobicContact CG-CG 3.91Å
150P95.2Very high97.3Very high62 Ų6251.5 Ų51.540%0.40329%0.29SS..  trans-70.9163.5173.232.4-36.1000110.8T152 T153P150-T152 PolarHBondContact O-N 2.92Å; P150-T153 PolarHBondContact O-N 3.37Å; P150-T153 VanDerWaalsContact O-N 3.08Å
151N91.6Very high97.3Very high20 Ų2048.2 Ų48.211%0.10727%0.273CS..THydrogen-bonded Turntrans-57.4-26.6-179.4-67.65.9000113.5P39 D118 E121 T130 A131 R132P39-N151 WeakPolarHBondContact CB-ND2 3.17Å; P39-N151 HydrophobicContact CG-CB 3.98Å; P39-N151 WeakPolarHBondContact CG-ND2 3.05Å; P39-N151 WeakPolarHBondContact CG-OD1 3.32Å; D118-N151 PolarHBondContact OD2-OD1 3.39Å; E121-N151 WeakPolarHBondContact CB-ND2 3.37Å; E121-N151 HydrophobicContact CG-CB 4.12Å; E121-N151 VanDerWaalsContact CG-ND2 3.27Å; E121-N151 WeakPolarHBondContact CG-ND2 3.49Å; T130-N151 PolarHBondContact O-OD1 3.38Å; A131-N151 WeakPolarHBondContact CA-OD1 3.3Å; R132-N151 PolarHBondContact NE-O 2.81Å; R132-N151 PolarHBondContact NH2-O 3.4Å
152T93.5Very high97.3Very high116 Ų11649 Ų4971%0.71228%0.275SS*.THydrogen-bonded Turntrans-77.6-14.1-17856.30000114.6P150P150-T152 PolarHBondContact O-N 2.92Å
153T97.2Very high97.3Very high64 Ų6448.4 Ų48.439%0.39327%0.272SS..SBendtrans-121.7108.6-172.7-52.40000110.9R132 Y149 P150R132-T153 VanDerWaalsContact CD-O 3.22Å; R132-T153 WeakPolarHBondContact CD-O 3.47Å; Y149-T153 HydrophobicContact CD2-CG2 3.76Å; Y149-T153 HydrophobicContact CE2-CG2 4.08Å; P150-T153 PolarHBondContact O-N 3.37Å; P150-T153 VanDerWaalsContact O-N 3.08Å
154G96.5Very high97.3Very high39 Ų3948.4 Ų48.440%0.40227%0.271SS..  trans-64.9144.1173.100000112.1E49E49-G154 WeakPolarHBondContact OE1-CA 3.21Å
155R98.4Very high97.3Very high19 Ų1946.5 Ų46.57%0.07226%0.264CS..  trans-81.1152.1-177.7-68.8164.7-73.6-164.2-5.4112.2S37 E49 R132 C133 Y149 F157S37-R155 VanDerWaalsContact O-CZ 3.25Å; S37-R155 PolarHBondContact O-NH1 2.75Å; S37-R155 PolarHBondContact O-NH2 2.87Å; E49-R155 WeakPolarHBondContact OE1-CB 3.22Å; E49-R155 WeakPolarHBondContact OE1-CG 3.35Å; E49-R155 IonicContact OE1-CZ 2.65Å; E49-R155 PolarHBondContact OE1-N 3.2Å; E49-R155 IonicContact OE1-NE 3.97Å; E49-R155 PolarHBondContact OE1-NE 2.96Å; E49-R155 IonicContact OE1-NH2 2.68Å; E49-R155 IonicContact OE2-CZ 3.69Å; E49-R155 IonicContact OE2-NE 2.78Å; E49-R155 IonicContact OE2-NH2 3.21Å; E49-R155 PolarHBondContact OE2-NH2 2.81Å; R132-R155 HydrophobicContact CB-CG 4.46Å; C133-R155 PolarHBondContact O-NH1 3.43Å; Y149-R155 HydrophobicContact CD1-CG 4.24Å; Y149-R155 HydrophobicContact CD2-CG 4.07Å; Y149-R155 HydrophobicContact CG-CG 3.91Å; R155-F157 HydrophobicContact CB-CE2 4.31Å
156S97.9Very high97.3Very high59 Ų5945.5 Ų45.541%0.41326%0.26SS..  trans-90.9108.7167.5179.70000110D158 E159 I160S156-D158 VanDerWaalsContact C-N 3.29Å; S156-E159 PolarHBondContact O-N 3.48Å; S156-E159 PolarHBondContact OG-N 2.9Å; S156-I160 WeakPolarHBondContact O-CG1 3.49Å; S156-I160 PolarHBondContact O-N 2.69Å
157F97.1Very high97.3Very high8 Ų844.2 Ų44.24%0.03525%0.249CC..Hα-helixtrans-77-17.1175.6-75.7-85.8000113.5E49 R52 V53 L56 R155 E159 I160 L161E49-F157 HydrophobicContact CB-CE2 3.89Å; E49-F157 HydrophobicContact CG-CE2 4.06Å; R52-F157 HydrophobicContact CB-CD2 4.41Å; R52-F157 HydrophobicContact CG-CB 4.06Å; R52-F157 HydrophobicContact CG-CD2 4.16Å; R52-F157 HydrophobicContact CG-CG 4.4Å; V53-F157 HydrophobicContact CB-CE1 4.49Å; V53-F157 HydrophobicContact CG2-CD1 3.6Å; V53-F157 HydrophobicContact CG2-CD2 4.15Å; V53-F157 HydrophobicContact CG2-CE1 3.13Å; V53-F157 HydrophobicContact CG2-CE2 3.73Å; V53-F157 HydrophobicContact CG2-CG 4.09Å; V53-F157 HydrophobicContact CG2-CZ 3.19Å; L56-F157 HydrophobicContact CD1-CB 3.66Å; R155-F157 HydrophobicContact CB-CE2 4.31Å; F157-E159 VanDerWaalsContact C-N 3.34Å; F157-I160 HydrophobicContact CD1-CB 4.5Å; F157-I160 HydrophobicContact CD1-CD1 3.55Å; F157-I160 HydrophobicContact CE1-CD1 3.67Å; F157-I160 HydrophobicContact CG-CD1 4.12Å; F157-I160 HydrophobicContact CZ-CD1 4.35Å; F157-I160 PolarHBondContact O-N 2.75Å; F157-L161 WeakPolarHBondContact O-CB 3.29Å; F157-L161 PolarHBondContact O-N 2.83Å
158D96.8Very high97.3Very high85 Ų8543.6 Ų43.646%0.45525%0.245SC..Hα-helixtrans-68.9-38.1170.6-62.1-25.3000110.4R52 S156 L161 R162R52-D158 IonicContact CZ-OD1 3.51Å; R52-D158 IonicContact NE-OD1 2.71Å; R52-D158 IonicContact NH2-OD1 3.46Å; R52-D158 PolarHBondContact NH2-OD1 2.86Å; R52-D158 IonicContact NH2-OD2 3.99Å; R52-D158 PolarHBondContact NH2-OD2 2.93Å; S156-D158 VanDerWaalsContact C-N 3.29Å; D158-L161 PolarHBondContact O-N 2.7Å; D158-R162 WeakPolarHBondContact O-CB 3.48Å; D158-R162 PolarHBondContact O-N 2.96Å
159E98.5Very high97.3Very high67 Ų6737.9 Ų37.931%0.31322%0.215SC..Hα-helixtrans-65-42.6171.9175.558.2-167.400111.4S156 F157 L161 R162 V163S156-E159 PolarHBondContact O-N 3.48Å; S156-E159 PolarHBondContact OG-N 2.9Å; F157-E159 VanDerWaalsContact C-N 3.34Å; E159-L161 VanDerWaalsContact C-N 3.28Å; E159-L161 PolarHBondContact O-N 2.98Å; E159-R162 WeakPolarHBondContact O-CB 3.37Å; E159-R162 PolarHBondContact O-N 3.06Å; E159-R162 VanDerWaalsContact O-N 3.16Å; E159-R162 IonicContact OE1-CZ 3.05Å; E159-R162 IonicContact OE1-NE 3.19Å; E159-R162 IonicContact OE1-NH2 2.67Å; E159-R162 PolarHBondContact OE1-NH2 2.88Å; E159-R162 IonicContact OE2-CZ 3.52Å; E159-R162 IonicContact OE2-NE 2.9Å; E159-R162 PolarHBondContact OE2-NE 2.84Å; E159-R162 IonicContact OE2-NH2 2.7Å; E159-R162 PolarHBondContact OE2-NH2 3.33Å; E159-V163 WeakPolarHBondContact O-CG2 3.44Å; E159-V163 PolarHBondContact O-N 2.81Å; E159-V163 VanDerWaalsContact OE1-CG1 3.29Å; E159-V163 WeakPolarHBondContact OE1-CG1 3.36Å
160I98.7Very high97.3Very high1 Ų136.8 Ų36.81%0.00522%0.216CC..Hα-helixtrans-59.5-42.1176.6-65.2166.5000110.5I34 F60 V134 L147 S156 F157 V163 V164I34-I160 HydrophobicContact CD1-CG2 3.8Å; F60-I160 HydrophobicContact CE1-CG2 4.14Å; F60-I160 HydrophobicContact CZ-CG2 4.15Å; V134-I160 HydrophobicContact CG1-CD1 4.24Å; V134-I160 HydrophobicContact CG1-CG2 4.48Å; V134-I160 HydrophobicContact CG2-CD1 3.84Å; L147-I160 HydrophobicContact CD1-CG1 4.12Å; S156-I160 WeakPolarHBondContact O-CG1 3.49Å; S156-I160 PolarHBondContact O-N 2.69Å; F157-I160 HydrophobicContact CD1-CB 4.5Å; F157-I160 HydrophobicContact CD1-CD1 3.55Å; F157-I160 HydrophobicContact CE1-CD1 3.67Å; F157-I160 HydrophobicContact CG-CD1 4.12Å; F157-I160 HydrophobicContact CZ-CD1 4.35Å; F157-I160 PolarHBondContact O-N 2.75Å; I160-V163 VanDerWaalsContact O-CG2 3.23Å; I160-V163 WeakPolarHBondContact O-CG2 3.28Å; I160-V164 WeakPolarHBondContact O-CG2 3.27Å; I160-V164 PolarHBondContact O-N 2.88Å; I160-V164 VanDerWaalsContact O-N 3.11Å
161L98.1Very high97.3Very high21 Ų2136.9 Ų36.911%0.1122%0.222CC..Hα-helixtrans-65.4-42.7175.3-168.766.1000112E59 F60 F157 D158 E159 V163 V164 D165E59-L161 HydrophobicContact CB-CD1 4.13Å; E59-L161 HydrophobicContact CB-CD2 3.92Å; E59-L161 HydrophobicContact CG-CD2 4.38Å; F60-L161 HydrophobicContact CD1-CD1 3.92Å; F60-L161 HydrophobicContact CE1-CB 4.43Å; F60-L161 HydrophobicContact CE1-CD1 3.8Å; F60-L161 HydrophobicContact CG-CD1 4.41Å; F60-L161 HydrophobicContact CZ-CB 4.4Å; F60-L161 HydrophobicContact CZ-CD1 4.22Å; F157-L161 WeakPolarHBondContact O-CB 3.29Å; F157-L161 PolarHBondContact O-N 2.83Å; D158-L161 PolarHBondContact O-N 2.7Å; E159-L161 VanDerWaalsContact C-N 3.28Å; E159-L161 PolarHBondContact O-N 2.98Å; L161-V163 PolarHBondContact O-N 3.34Å; L161-V164 WeakPolarHBondContact O-CB 3.28Å; L161-V164 PolarHBondContact O-N 3.24Å; L161-D165 PolarHBondContact O-N 2.91Å
162R98.4Very high97.4Very high41 Ų4142.6 Ų42.616%0.15525%0.248CC..Hα-helixtrans-61-41.8178-168.6-164.673.771.75.4112.3D158 E159 D165 S166 W181 M182D158-R162 WeakPolarHBondContact O-CB 3.48Å; D158-R162 PolarHBondContact O-N 2.96Å; E159-R162 WeakPolarHBondContact O-CB 3.37Å; E159-R162 PolarHBondContact O-N 3.06Å; E159-R162 VanDerWaalsContact O-N 3.16Å; E159-R162 IonicContact OE1-CZ 3.05Å; E159-R162 IonicContact OE1-NE 3.19Å; E159-R162 IonicContact OE1-NH2 2.67Å; E159-R162 PolarHBondContact OE1-NH2 2.88Å; E159-R162 IonicContact OE2-CZ 3.52Å; E159-R162 IonicContact OE2-NE 2.9Å; E159-R162 PolarHBondContact OE2-NE 2.84Å; E159-R162 IonicContact OE2-NH2 2.7Å; E159-R162 PolarHBondContact OE2-NH2 3.33Å; R162-D165 WeakPolarHBondContact O-CB 3.36Å; R162-D165 PolarHBondContact O-N 3.31Å; R162-S166 PolarHBondContact O-N 3.03Å; R162-S166 VanDerWaalsContact O-N 3.07Å; R162-W181 WeakPolarHBondContact CD-O 3.5Å; R162-W181 WeakPolarHBondContact CG-O 3.43Å; R162-W181 PolarHBondContact NH1-O 3.08Å; R162-M182 HydrophobicContact CG-SD 4.07Å
163V98.7Very high97.4Very high13 Ų1341.2 Ų41.28%0.07923%0.232CC..Hα-helixtrans-73.6-28.1177.1-60.30000112.5I136 L145 E159 I160 L161 S166 L167I136-V163 HydrophobicContact CD1-CG2 3.62Å; L145-V163 HydrophobicContact CD1-CB 3.93Å; L145-V163 HydrophobicContact CD1-CG1 4.18Å; L145-V163 HydrophobicContact CD1-CG2 3.98Å; L145-V163 HydrophobicContact CD2-CG2 4.44Å; E159-V163 WeakPolarHBondContact O-CG2 3.44Å; E159-V163 PolarHBondContact O-N 2.81Å; E159-V163 VanDerWaalsContact OE1-CG1 3.29Å; E159-V163 WeakPolarHBondContact OE1-CG1 3.36Å; I160-V163 VanDerWaalsContact O-CG2 3.23Å; I160-V163 WeakPolarHBondContact O-CG2 3.28Å; L161-V163 PolarHBondContact O-N 3.34Å; V163-S166 PolarHBondContact O-N 2.83Å; V163-L167 WeakPolarHBondContact O-CB 3.23Å; V163-L167 WeakPolarHBondContact O-CG 3.16Å; V163-L167 PolarHBondContact O-N 3Å
164V98.7Very high97.3Very high0 Ų043.5 Ų43.50%024%0.238CC..Hα-helixtrans-60.3-47.6167.9166.60000110.2I34 F60 R63 V65 I136 I160 L161 S166 L167 Q168I34-V164 HydrophobicContact CD1-CG2 3.94Å; F60-V164 HydrophobicContact CE1-CG2 4.41Å; R63-V164 HydrophobicContact CB-CG1 4.31Å; V65-V164 HydrophobicContact CG2-CG1 3.71Å; I136-V164 HydrophobicContact CD1-CG2 4.18Å; I160-V164 WeakPolarHBondContact O-CG2 3.27Å; I160-V164 PolarHBondContact O-N 2.88Å; I160-V164 VanDerWaalsContact O-N 3.11Å; L161-V164 WeakPolarHBondContact O-CB 3.28Å; L161-V164 PolarHBondContact O-N 3.24Å; V164-S166 VanDerWaalsContact C-N 3.3Å; V164-S166 PolarHBondContact O-N 3.47Å; V164-L167 PolarHBondContact O-N 2.96Å; V164-Q168 HydrophobicContact CG1-CG 4.41Å; V164-Q168 WeakPolarHBondContact O-CG 3.31Å; V164-Q168 PolarHBondContact O-N 2.87Å
165D98.2Very high97.3Very high26 Ų2642.1 Ų42.114%0.13922%0.222CC..Hα-helixtrans-57.7-43.9177.3-75.1-35.4000111.5R63 L161 R162 L169 W181 P183R63-D165 IonicContact CZ-OD1 3.66Å; R63-D165 IonicContact CZ-OD2 2.75Å; R63-D165 IonicContact NE-OD1 2.78Å; R63-D165 PolarHBondContact NE-OD1 3.41Å; R63-D165 IonicContact NE-OD2 2.67Å; R63-D165 IonicContact NH2-OD1 2.72Å; R63-D165 PolarHBondContact NH2-OD1 2.85Å; R63-D165 IonicContact NH2-OD2 3.52Å; R63-D165 PolarHBondContact NH2-OD2 3.07Å; L161-D165 PolarHBondContact O-N 2.91Å; R162-D165 WeakPolarHBondContact O-CB 3.36Å; R162-D165 PolarHBondContact O-N 3.31Å; D165-L169 VanDerWaalsContact O-CB 3.27Å; D165-L169 WeakPolarHBondContact O-CB 3.48Å; D165-L169 PolarHBondContact O-N 3.37Å; D165-W181 HydrophobicContact CB-CH2 4.03Å; D165-W181 HydrophobicContact CB-CZ3 3.98Å; D165-P183 HydrophobicContact CB-CG 3.92Å; D165-P183 VanDerWaalsContact OD2-CG 3.27Å; D165-P183 WeakPolarHBondContact OD2-CG 3.2Å
166S98.6Very high97.3Very high17 Ų1743.4 Ų43.412%0.11924%0.237CC..Hα-helixtrans-62.5-49.1175.51730000112.6R162 V163 V164 Q168 L169 T170 T177R162-S166 PolarHBondContact O-N 3.03Å; R162-S166 VanDerWaalsContact O-N 3.07Å; V163-S166 PolarHBondContact O-N 2.83Å; V164-S166 VanDerWaalsContact C-N 3.3Å; V164-S166 PolarHBondContact O-N 3.47Å; S166-Q168 VanDerWaalsContact C-N 3.35Å; S166-Q168 PolarHBondContact O-N 2.72Å; S166-L169 PolarHBondContact O-N 3.21Å; S166-T170 WeakPolarHBondContact O-CB 3.27Å; S166-T170 VanDerWaalsContact O-CG2 3.27Å; S166-T170 WeakPolarHBondContact O-CG2 3.48Å; S166-T170 PolarHBondContact O-N 2.96Å; S166-T170 PolarHBondContact O-OG1 3.49Å; S166-T177 WeakPolarHBondContact OG-CG2 3.46Å; S166-T177 PolarHBondContact OG-OG1 3.34Å
167L98.6Very high97.3Very high30 Ų3042.2 Ų42.216%0.15723%0.227CC..Hα-helixtrans-62.5-41.7-178.3-74.4170.1000111.8W32 I136 K144 L145 V163 V164 T170 A171W32-L167 HydrophobicContact CH2-CB 3.9Å; W32-L167 HydrophobicContact CZ3-CB 4.01Å; W32-L167 HydrophobicContact CZ3-CD1 4.31Å; I136-L167 HydrophobicContact CB-CD1 4.28Å; I136-L167 HydrophobicContact CD1-CD1 4.13Å; I136-L167 HydrophobicContact CG2-CD1 3.85Å; K144-L167 HydrophobicContact CB-CD1 4.07Å; K144-L167 HydrophobicContact CB-CD2 4.1Å; L145-L167 HydrophobicContact CB-CD1 4.01Å; V163-L167 WeakPolarHBondContact O-CB 3.23Å; V163-L167 WeakPolarHBondContact O-CG 3.16Å; V163-L167 PolarHBondContact O-N 3Å; V164-L167 PolarHBondContact O-N 2.96Å; L167-T170 PolarHBondContact O-OG1 2.89Å; L167-A171 VanDerWaalsContact O-CB 3.24Å; L167-A171 WeakPolarHBondContact O-CB 3.5Å; L167-A171 PolarHBondContact O-N 3.37Å
168Q98.2Very high97.2Very high31 Ų3143.5 Ų43.515%0.14524%0.236CC..Hα-helixtrans-69.5-42.5177.7-69.8-173.5-15.800111.7W32 R63 V164 S166 T170 A171 H172W32-Q168 VanDerWaalsContact CD1-NE2 3.28Å; W32-Q168 HydrophobicContact CD2-CG 4.29Å; W32-Q168 HydrophobicContact CZ2-CG 4.05Å; R63-Q168 PolarHBondContact O-NE2 3.36Å; V164-Q168 HydrophobicContact CG1-CG 4.41Å; V164-Q168 WeakPolarHBondContact O-CG 3.31Å; V164-Q168 PolarHBondContact O-N 2.87Å; S166-Q168 VanDerWaalsContact C-N 3.35Å; S166-Q168 PolarHBondContact O-N 2.72Å; Q168-T170 PolarHBondContact O-N 3.07Å; Q168-A171 PolarHBondContact O-N 3.39Å; Q168-H172 PolarHBondContact O-CD2 3.26Å; Q168-H172 PolarHBondContact O-N 2.9Å
169L97.1Very high97.2Very high3 Ų345.5 Ų45.52%0.01625%0.252CS..Hα-helixtrans-58.3-49.717517359.4000111.4D165 S166 A171 H172 K173 V175 T177 W181 V187 Q225D165-L169 VanDerWaalsContact O-CB 3.27Å; D165-L169 WeakPolarHBondContact O-CB 3.48Å; D165-L169 PolarHBondContact O-N 3.37Å; S166-L169 PolarHBondContact O-N 3.21Å; L169-A171 VanDerWaalsContact C-N 3.33Å; L169-A171 PolarHBondContact O-N 2.92Å; L169-H172 PolarHBondContact O-N 3.4Å; L169-K173 HydrophobicContact CD1-CB 4.07Å; L169-K173 HydrophobicContact CD1-CG 3.77Å; L169-K173 WeakPolarHBondContact O-CB 3.46Å; L169-K173 PolarHBondContact O-N 3.09Å; L169-V175 HydrophobicContact CD1-CG2 4.31Å; L169-V175 HydrophobicContact CD2-CG2 4.37Å; L169-V175 HydrophobicContact CG-CG2 4.03Å; L169-T177 HydrophobicContact CD2-CG2 4.27Å; L169-W181 HydrophobicContact CD2-CH2 4.19Å; L169-W181 HydrophobicContact CD2-CZ2 3.73Å; L169-V187 HydrophobicContact CD2-CG1 3.85Å; L169-Q225 HydrophobicContact CD1-CG 3.9Å
170T97.1Very high97Very high50 Ų5050.1 Ų50.131%0.30727%0.273SS..Hα-helixtrans-74.8-21-175.758.70000113.3S166 L167 Q168 H172 K173 V175 T177S166-T170 WeakPolarHBondContact O-CB 3.27Å; S166-T170 VanDerWaalsContact O-CG2 3.27Å; S166-T170 WeakPolarHBondContact O-CG2 3.48Å; S166-T170 PolarHBondContact O-N 2.96Å; S166-T170 PolarHBondContact O-OG1 3.49Å; L167-T170 PolarHBondContact O-OG1 2.89Å; Q168-T170 PolarHBondContact O-N 3.07Å; T170-H172 VanDerWaalsContact C-N 3.35Å; T170-K173 VanDerWaalsContact O-O 3.14Å; T170-V175 VanDerWaalsContact CG2-O 3.28Å; T170-V175 WeakPolarHBondContact CG2-O 3.47Å; T170-T177 HydrophobicContact CG2-CG2 4.41Å
171A96.1Very high96.8Very high64 Ų6450.6 Ų50.653%0.52928%0.275SS..Hα-helixtrans-70.3-29.7170.300000113W32 L167 Q168 L169W32-A171 HydrophobicContact CZ2-CB 4.26Å; L167-A171 VanDerWaalsContact O-CB 3.24Å; L167-A171 WeakPolarHBondContact O-CB 3.5Å; L167-A171 PolarHBondContact O-N 3.37Å; Q168-A171 PolarHBondContact O-N 3.39Å; L169-A171 VanDerWaalsContact C-N 3.33Å; L169-A171 PolarHBondContact O-N 2.92Å
172H93.2Very high96.7Very high140 Ų14055.3 Ų55.365%0.64830%0.298SS*.Hα-helixtrans-106.3-19.6-175.4-64-54.9000114.3Q168 L169 T170Q168-H172 PolarHBondContact O-CD2 3.26Å; Q168-H172 PolarHBondContact O-N 2.9Å; L169-H172 PolarHBondContact O-N 3.4Å; T170-H172 VanDerWaalsContact C-N 3.35Å
173K94.1Very high96.4Very high87 Ų8756.5 Ų56.538%0.37831%0.311SS..SBendtrans-127139.5-177.6-57.1-62.8179.2-174.20109.5L169 T170 V175 P224L169-K173 HydrophobicContact CD1-CB 4.07Å; L169-K173 HydrophobicContact CD1-CG 3.77Å; L169-K173 WeakPolarHBondContact O-CB 3.46Å; L169-K173 PolarHBondContact O-N 3.09Å; T170-K173 VanDerWaalsContact O-O 3.14Å; K173-V175 HydrophobicContact CB-CG2 3.92Å; K173-V175 PolarHBondContact O-N 3.46Å; K173-P224 HydrophobicContact CB-CG 4.33Å; K173-P224 HydrophobicContact CD-CB 3.98Å; K173-P224 HydrophobicContact CG-CB 4.08Å; K173-P224 HydrophobicContact CG-CG 4.29Å
174Q95.1Very high96Very high112 Ų11257.1 Ų57.152%0.52332%0.32SS..SBendtrans-77.362.7178.6-62.8-173.59.200111.3P190 M193 F202Q174-P190 WeakPolarHBondContact O-CD 3.46Å; Q174-P190 WeakPolarHBondContact O-CG 3.41Å; Q174-M193 HydrophobicContact CB-CE 3.8Å; Q174-F202 WeakPolarHBondContact O-CZ 2.91Å
175V96.8Very high95.7Very high10 Ų1058.4 Ų58.46%0.06133%0.333CS..  trans-134.9169.1179.9-620000109.7L169 T170 K173 V187 M188 F202 T221 P224L169-V175 HydrophobicContact CD1-CG2 4.31Å; L169-V175 HydrophobicContact CD2-CG2 4.37Å; L169-V175 HydrophobicContact CG-CG2 4.03Å; T170-V175 VanDerWaalsContact CG2-O 3.28Å; T170-V175 WeakPolarHBondContact CG2-O 3.47Å; K173-V175 HydrophobicContact CB-CG2 3.92Å; K173-V175 PolarHBondContact O-N 3.46Å; V175-V187 HydrophobicContact CB-CB 4.08Å; V175-V187 HydrophobicContact CB-CG2 3.72Å; V175-V187 HydrophobicContact CG1-CG2 3.72Å; V175-V187 HydrophobicContact CG2-CB 4.23Å; V175-V187 HydrophobicContact CG2-CG2 3.99Å; V175-M188 CarbonylContact C-O 3.51Å; V175-M188 WeakPolarHBondContact CA-O 3.29Å; V175-F202 HydrophobicContact CG1-CD1 4.48Å; V175-F202 HydrophobicContact CG1-CE1 3.47Å; V175-F202 VanDerWaalsContact CG1-CE1 3.47Å; V175-F202 HydrophobicContact CG1-CZ 3.52Å; V175-T221 HydrophobicContact CG1-CG2 4.27Å; V175-P224 HydrophobicContact CG1-CG 4.07Å
176A97.6Very high95.5Very high47 Ų4757.7 Ų57.739%0.38833%0.33SS..BIsolated β-bridgetrans-129.8145.9168.500000110.1M188A176-M188 HydrophobicContact CB-CB 4.32Å; A176-M188 PolarHBondContact N-O 2.9Å; A176-M188 WeakPolarHBondContact O-CB 3.44Å; A176-M188 PolarHBondContact O-N 2.87Å
177T97.1Very high95.4Very high34 Ų3456.9 Ų56.921%0.20932%0.324CS..  trans-85.9130.4177.557.40000110.6S166 L169 T170 W181 V187S166-T177 WeakPolarHBondContact OG-CG2 3.46Å; S166-T177 PolarHBondContact OG-OG1 3.34Å; L169-T177 HydrophobicContact CD2-CG2 4.27Å; T170-T177 HydrophobicContact CG2-CG2 4.41Å; T177-W181 HydrophobicContact CG2-CD2 3.46Å; T177-W181 VanDerWaalsContact CG2-CD2 3.46Å; T177-W181 HydrophobicContact CG2-CE3 3.64Å; T177-W181 HydrophobicContact CG2-CG 3.91Å; T177-W181 HydrophobicContact CG2-CH2 4.19Å; T177-W181 HydrophobicContact CG2-CZ2 4.05Å; T177-W181 HydrophobicContact CG2-CZ3 4.01Å; T177-V187 HydrophobicContact CG2-CG1 4.35Å
178P96.5Very high95.3Very high35 Ų3557 Ų5723%0.22732%0.324CS..  trans-70.1175.6177.229.1-35000112.9W181 C186 M188P178-W181 HydrophobicContact CG-CB 4.08Å; P178-W181 WeakPolarHBondContact O-CB 3.45Å; P178-W181 PolarHBondContact O-N 3.35Å; P178-C186 VanDerWaalsContact CD-O 3.3Å; P178-C186 WeakPolarHBondContact CD-O 3.32Å; P178-C186 WeakPolarHBondContact CG-O 3.2Å; P178-M188 HydrophobicContact CB-CG 4.05Å; P178-M188 HydrophobicContact CB-SD 3.94Å; P178-M188 HydrophobicContact CG-CG 4.47Å; P178-M188 HydrophobicContact CG-SD 4.32Å
179T95.9Very high95.2Very high127 Ų12755.6 Ų55.678%0.77932%0.318SS*.THydrogen-bonded Turntrans-56.8141.1172.6-44.40000110.9W181T179-W181 PolarHBondContact O-N 3.41Å; T179-W181 VanDerWaalsContact O-N 3.1Å
180E94.1Very high95.2Very high163 Ų16357.3 Ų57.376%0.76233%0.33SS*.THydrogen-bonded Turntrans55.121.1-176.6-52.7-50.9124.100114.8M182E180-M182 PolarHBondContact O-N 3.03Å
181W95.7Very high94.9Very high11 Ų1159.2 Ų59.24%0.04234%0.342CS..  trans-61.9134.4178.7173.685.6000111.9R162 D165 L169 T177 P178 T179 P183 G185 C186R162-W181 WeakPolarHBondContact CD-O 3.5Å; R162-W181 WeakPolarHBondContact CG-O 3.43Å; R162-W181 PolarHBondContact NH1-O 3.08Å; D165-W181 HydrophobicContact CB-CH2 4.03Å; D165-W181 HydrophobicContact CB-CZ3 3.98Å; L169-W181 HydrophobicContact CD2-CH2 4.19Å; L169-W181 HydrophobicContact CD2-CZ2 3.73Å; T177-W181 HydrophobicContact CG2-CD2 3.46Å; T177-W181 VanDerWaalsContact CG2-CD2 3.46Å; T177-W181 HydrophobicContact CG2-CE3 3.64Å; T177-W181 HydrophobicContact CG2-CG 3.91Å; T177-W181 HydrophobicContact CG2-CH2 4.19Å; T177-W181 HydrophobicContact CG2-CZ2 4.05Å; T177-W181 HydrophobicContact CG2-CZ3 4.01Å; P178-W181 HydrophobicContact CG-CB 4.08Å; P178-W181 WeakPolarHBondContact O-CB 3.45Å; P178-W181 PolarHBondContact O-N 3.35Å; T179-W181 PolarHBondContact O-N 3.41Å; T179-W181 VanDerWaalsContact O-N 3.1Å; W181-P183 HydrophobicContact CH2-CB 4.29Å; W181-P183 HydrophobicContact CH2-CG 4.13Å; W181-P183 HydrophobicContact CZ3-CG 4.25Å; W181-G185 PolarHBondContact NE1-O 3.04Å; W181-G185 VanDerWaalsContact NE1-O 3.17Å; W181-C186 VanDerWaalsContact CD1-O 3.26Å
182M94.3Very high94.7Very high120 Ų12063.6 Ų63.659%0.59136%0.357SS*.  trans-114.4151170.9-64.7-61.5-68.200109.8R162 E180 G184 G185R162-M182 HydrophobicContact CG-SD 4.07Å; E180-M182 PolarHBondContact O-N 3.03Å; M182-G184 PolarHBondContact O-N 2.91Å; M182-G185 WeakPolarHBondContact O-CA 3.31Å; M182-G185 PolarHBondContact O-N 3.44Å
183P93.1Very high94.8Very high67 Ų6757.5 Ų57.544%0.43533%0.329SS..THydrogen-bonded Turntrans-49.1132.3176.3-28.835.7000112.9D165 W181 G185D165-P183 HydrophobicContact CB-CG 3.92Å; D165-P183 VanDerWaalsContact OD2-CG 3.27Å; D165-P183 WeakPolarHBondContact OD2-CG 3.2Å; W181-P183 HydrophobicContact CH2-CB 4.29Å; W181-P183 HydrophobicContact CH2-CG 4.13Å; W181-P183 HydrophobicContact CZ3-CG 4.25Å; P183-G185 VanDerWaalsContact C-N 3.3Å
184G90.8Very high94.8Very high25 Ų2556.8 Ų56.826%0.25833%0.334SS..THydrogen-bonded Turntrans83.3-7.4-173.800000115.3M182 D223M182-G184 PolarHBondContact O-N 2.91Å; G184-D223 PolarHBondContact N-OD2 2.66Å
185G91.4Very high94.7Very high27 Ų2756.9 Ų56.928%0.27833%0.334SS..SBendtrans-73.9164172.300000113.1W181 M182 P183W181-G185 PolarHBondContact NE1-O 3.04Å; W181-G185 VanDerWaalsContact NE1-O 3.17Å; M182-G185 WeakPolarHBondContact O-CA 3.31Å; M182-G185 PolarHBondContact O-N 3.44Å; P183-G185 VanDerWaalsContact C-N 3.3Å
186C94.1Very high94.5Very high12 Ų1264.5 Ų64.58%0.08137%0.369CS..  trans-55.7142.7174.7-66.40000111.9P178 W181 Y220 C230 E231P178-C186 VanDerWaalsContact CD-O 3.3Å; P178-C186 WeakPolarHBondContact CD-O 3.32Å; P178-C186 WeakPolarHBondContact CG-O 3.2Å; W181-C186 VanDerWaalsContact CD1-O 3.26Å; C186-Y220 HydrophobicContact CB-CD1 4.16Å; C186-C230 WeakPolarHBondContact CA-SG 3.3Å; C186-C230 HydrophobicContact CB-CB 4Å; C186-C230 WeakPolarHBondContact CB-SG 3.45Å; C186-C230 WeakPolarHBondContact SG-CB 3.16Å; C186-C230 CovalentContact SG-SG 2.02Å; C186-C230 PolarHBondContact SG-SG 3.46Å; C186-E231 PolarHBondContact SG-O 3.11Å
187V96.1Very high94.5Very high0 Ų066.3 Ų66.30%037%0.369CS..EExtended strand (participates in β ladder)trans-114165.3172.6-62.70000111.2L169 V175 T177 Y220 T221L169-V187 HydrophobicContact CD2-CG1 3.85Å; V175-V187 HydrophobicContact CB-CB 4.08Å; V175-V187 HydrophobicContact CB-CG2 3.72Å; V175-V187 HydrophobicContact CG1-CG2 3.72Å; V175-V187 HydrophobicContact CG2-CB 4.23Å; V175-V187 HydrophobicContact CG2-CG2 3.99Å; T177-V187 HydrophobicContact CG2-CG1 4.35Å; V187-Y220 CarbonylContact O-C 3.52Å; V187-Y220 VanDerWaalsContact O-CA 3.27Å; V187-Y220 WeakPolarHBondContact O-CA 3.27Å; V187-T221 HydrophobicContact CG2-CG2 3.68Å; V187-T221 WeakPolarHBondContact CG2-O 3.43Å; V187-T221 PolarHBondContact N-O 2.79Å; V187-T221 PolarHBondContact O-N 3.03Å
188M97.1Very high94.4Very high31 Ų3164.8 Ų64.815%0.15336%0.36CS..EExtended strand (participates in β ladder)trans-93.9135.8-179.3-51.9-54.4-65.400110.6V175 A176 P178 L218 R219 Y220V175-M188 CarbonylContact C-O 3.51Å; V175-M188 WeakPolarHBondContact CA-O 3.29Å; A176-M188 HydrophobicContact CB-CB 4.32Å; A176-M188 PolarHBondContact N-O 2.9Å; A176-M188 WeakPolarHBondContact O-CB 3.44Å; A176-M188 PolarHBondContact O-N 2.87Å; P178-M188 HydrophobicContact CB-CG 4.05Å; P178-M188 HydrophobicContact CB-SD 3.94Å; P178-M188 HydrophobicContact CG-CG 4.47Å; P178-M188 HydrophobicContact CG-SD 4.32Å; M188-L218 HydrophobicContact CE-CD1 3.61Å; M188-L218 HydrophobicContact CE-CG 4.41Å; M188-R219 WeakPolarHBondContact CA-O 3.43Å; M188-Y220 HydrophobicContact CE-CD1 4.16Å; M188-Y220 HydrophobicContact CE-CE1 3.83Å; M188-Y220 HydrophobicContact CE-CE2 4.28Å; M188-Y220 HydrophobicContact SD-CD1 3.43Å; M188-Y220 WeakPolarHBondContact SD-CD1 3.36Å; M188-Y220 HydrophobicContact SD-CE1 3.24Å; M188-Y220 WeakPolarHBondContact SD-CE1 3.42Å; M188-Y220 HydrophobicContact SD-CG 4.26Å
189V97.1Very high94.2Very high3 Ų366 Ų662%0.01837%0.373CS..PPolyproline II helixtrans-78.1133.5168179.40000108.8M193 A198 F202 V206 R219 T221V189-M193 HydrophobicContact CG1-CB 4.18Å; V189-M193 HydrophobicContact CG1-CG 4.42Å; V189-M193 HydrophobicContact CG1-SD 3.74Å; V189-A198 HydrophobicContact CG1-CB 3.95Å; V189-F202 HydrophobicContact CB-CE2 4.45Å; V189-F202 HydrophobicContact CG1-CD2 4.48Å; V189-F202 HydrophobicContact CG1-CE2 3.98Å; V189-F202 HydrophobicContact CG2-CD2 3.91Å; V189-F202 HydrophobicContact CG2-CE2 3.91Å; V189-V206 HydrophobicContact CG2-CG1 3.99Å; V189-V206 HydrophobicContact CG2-CG2 4.32Å; V189-R219 HydrophobicContact CB-CB 3.9Å; V189-R219 HydrophobicContact CG2-CB 4.27Å; V189-R219 PolarHBondContact N-O 2.9Å; V189-T221 HydrophobicContact CG2-CG2 3.84Å
190P95.4Very high94.1Very high39 Ų3963.8 Ų63.825%0.25337%0.368SS..PPolyproline II helixtrans-52.9138.5180-28.135.3000111.9Q174 N192 M193 R219Q174-P190 WeakPolarHBondContact O-CD 3.46Å; Q174-P190 WeakPolarHBondContact O-CG 3.41Å; P190-N192 PolarHBondContact O-N 2.72Å; P190-N192 VanDerWaalsContact O-N 3.12Å; P190-M193 HydrophobicContact CB-CB 4.46Å; P190-M193 HydrophobicContact CG-CE 4.26Å; P190-M193 PolarHBondContact O-N 2.88Å; P190-R219 PolarHBondContact O-NH2 2.93Å
191P92.4Very high94.1Very high89 Ų8959.9 Ų59.958%0.57835%0.352SS*.THydrogen-bonded Turntrans-63.6-27.2-169.724.3-34.7000113.6
192N90.5Very high94Very high156 Ų15660 Ų6083%0.83435%0.352SS*.THydrogen-bonded Turntrans-93.50.4-175.9-61.3-26000113.8P190 P194P190-N192 PolarHBondContact O-N 2.72Å; P190-N192 VanDerWaalsContact O-N 3.12Å; N192-P194 WeakPolarHBondContact O-CD 3.18Å
193M95.1Very high93.8Very high12 Ų1259.6 Ų59.66%0.05936%0.359CS..SBendtrans-76.6125.2179.3-177.5178.5-76.300110.8Q174 V189 P190 E197 A198 L201 F202 R219Q174-M193 HydrophobicContact CB-CE 3.8Å; V189-M193 HydrophobicContact CG1-CB 4.18Å; V189-M193 HydrophobicContact CG1-CG 4.42Å; V189-M193 HydrophobicContact CG1-SD 3.74Å; P190-M193 HydrophobicContact CB-CB 4.46Å; P190-M193 HydrophobicContact CG-CE 4.26Å; P190-M193 PolarHBondContact O-N 2.88Å; M193-E197 HydrophobicContact CG-CB 4.08Å; M193-E197 HydrophobicContact CG-CG 4.01Å; M193-E197 HydrophobicContact SD-CG 4.43Å; M193-A198 HydrophobicContact CG-CB 4.13Å; M193-A198 HydrophobicContact SD-CB 3.81Å; M193-L201 HydrophobicContact CE-CD1 3.53Å; M193-L201 HydrophobicContact SD-CD1 3.97Å; M193-F202 HydrophobicContact CE-CE2 4.34Å; M193-F202 HydrophobicContact SD-CE2 3.68Å; M193-F202 HydrophobicContact SD-CZ 4.45Å; M193-R219 PolarHBondContact O-NH1 2.73Å; M193-R219 PolarHBondContact O-NH2 2.02Å
194P95.1Very high93.6Very high73 Ų7360 Ų6047%0.47436%0.357SS..  trans-57.2153.4174.6-24.935.1000113.5N192 E196 E197 A198N192-P194 WeakPolarHBondContact O-CD 3.18Å; P194-E196 VanDerWaalsContact C-N 3.35Å; P194-E196 PolarHBondContact O-N 3.17Å; P194-E197 HydrophobicContact CB-CB 4.31Å; P194-E197 VanDerWaalsContact CD-OE2 3.3Å; P194-E197 WeakPolarHBondContact CD-OE2 3.32Å; P194-E197 PolarHBondContact O-N 2.72Å; P194-A198 WeakPolarHBondContact O-CB 2.98Å; P194-A198 PolarHBondContact O-N 2.71Å
195E92.3Very high93.6Very high114 Ų11459.9 Ų59.953%0.53336%0.355SS..Hα-helixtrans-61.1-40.4-179.5-70.9-175.4175.800112.6A198 A199 K216E195-A198 PolarHBondContact O-N 2.83Å; E195-A199 WeakPolarHBondContact O-CB 3.28Å; E195-A199 PolarHBondContact O-N 3.1Å; E195-K216 WeakPolarHBondContact OE1-CD 3.3Å; E195-K216 IonicContact OE1-NZ 3.21Å; E195-K216 PolarHBondContact OE1-NZ 3.49Å; E195-K216 IonicContact OE2-NZ 2.77Å
196E94Very high93.8Very high170 Ų17060.8 Ų60.879%0.79436%0.355SS*.Hα-helixtrans-65.6-42.7178.7-173.3176.5-172.100112P194 A199 A200P194-E196 VanDerWaalsContact C-N 3.35Å; P194-E196 PolarHBondContact O-N 3.17Å; E196-A199 PolarHBondContact O-N 3.23Å; E196-A200 PolarHBondContact O-N 3.42Å
197E96.1Very high93.6Very high85 Ų8564.6 Ų64.640%0.39737%0.37SS..Hα-helixtrans-64.4-44.4175.5-175.6177.817100111.2M193 P194 A199 A200 L201M193-E197 HydrophobicContact CG-CB 4.08Å; M193-E197 HydrophobicContact CG-CG 4.01Å; M193-E197 HydrophobicContact SD-CG 4.43Å; P194-E197 HydrophobicContact CB-CB 4.31Å; P194-E197 VanDerWaalsContact CD-OE2 3.3Å; P194-E197 WeakPolarHBondContact CD-OE2 3.32Å; P194-E197 PolarHBondContact O-N 2.72Å; E197-A199 VanDerWaalsContact C-N 3.34Å; E197-A199 PolarHBondContact O-N 3.46Å; E197-A200 PolarHBondContact O-N 3.04Å; E197-L201 HydrophobicContact CG-CD1 3.9Å; E197-L201 HydrophobicContact CG-CG 4.4Å; E197-L201 WeakPolarHBondContact O-CB 3.27Å; E197-L201 WeakPolarHBondContact O-CG 3.44Å; E197-L201 PolarHBondContact O-N 3.2Å
198A94.7Very high93.5Very high1 Ų167 Ų671%0.00839%0.387CS..Hα-helixtrans-61.6-42176.700000111.8V189 M193 P194 E195 A200 L201 F202 V206V189-A198 HydrophobicContact CG1-CB 3.95Å; M193-A198 HydrophobicContact CG-CB 4.13Å; M193-A198 HydrophobicContact SD-CB 3.81Å; P194-A198 WeakPolarHBondContact O-CB 2.98Å; P194-A198 PolarHBondContact O-N 2.71Å; E195-A198 PolarHBondContact O-N 2.83Å; A198-A200 VanDerWaalsContact C-N 3.3Å; A198-A200 PolarHBondContact O-N 3.44Å; A198-L201 PolarHBondContact O-N 3.39Å; A198-F202 HydrophobicContact CB-CD2 4.26Å; A198-F202 WeakPolarHBondContact O-CB 3.38Å; A198-F202 WeakPolarHBondContact O-CD2 3.42Å; A198-F202 PolarHBondContact O-N 2.92Å; A198-V206 HydrophobicContact CB-CG2 4.19Å
199A92.6Very high93.3Very high62 Ų6269 Ų6951%0.51240%0.395SS..Hα-helixtrans-64.2-35.5176.600000112.4E195 E196 E197E195-A199 WeakPolarHBondContact O-CB 3.28Å; E195-A199 PolarHBondContact O-N 3.1Å; E196-A199 PolarHBondContact O-N 3.23Å; E197-A199 VanDerWaalsContact C-N 3.34Å; E197-A199 PolarHBondContact O-N 3.46Å
200A94.3Very high93.2Very high80 Ų8075.6 Ų75.666%0.66143%0.426SS*.Hα-helixtrans-71.9-43176.700000112.6E196 E197 A198E196-A200 PolarHBondContact O-N 3.42Å; E197-A200 PolarHBondContact O-N 3.04Å; A198-A200 VanDerWaalsContact C-N 3.3Å; A198-A200 PolarHBondContact O-N 3.44Å
201L93.6Very high93.2Very high81 Ų8175.5 Ų75.542%0.42442%0.423SS..Hα-helixtrans-75.1-28.7-179.6-70.4175.6000113M193 E197 A198 P203M193-L201 HydrophobicContact CE-CD1 3.53Å; M193-L201 HydrophobicContact SD-CD1 3.97Å; E197-L201 HydrophobicContact CG-CD1 3.9Å; E197-L201 HydrophobicContact CG-CG 4.4Å; E197-L201 WeakPolarHBondContact O-CB 3.27Å; E197-L201 WeakPolarHBondContact O-CG 3.44Å; E197-L201 PolarHBondContact O-N 3.2Å; A198-L201 PolarHBondContact O-N 3.39Å; L201-P203 VanDerWaalsContact C-CD 3.45Å; L201-P203 VanDerWaalsContact O-CD 3.31Å; L201-P203 WeakPolarHBondContact O-CD 3.3Å
202F93.6Very high93.4Very high12 Ų1278 Ų785%0.05344%0.439CS..  trans-123.568.8-174.4-50.3-58.8000112.2Q174 V175 V189 M193 A198 I204 G205 V206 T221 P224Q174-F202 WeakPolarHBondContact O-CZ 2.91Å; V175-F202 HydrophobicContact CG1-CD1 4.48Å; V175-F202 HydrophobicContact CG1-CE1 3.47Å; V175-F202 VanDerWaalsContact CG1-CE1 3.47Å; V175-F202 HydrophobicContact CG1-CZ 3.52Å; V189-F202 HydrophobicContact CB-CE2 4.45Å; V189-F202 HydrophobicContact CG1-CD2 4.48Å; V189-F202 HydrophobicContact CG1-CE2 3.98Å; V189-F202 HydrophobicContact CG2-CD2 3.91Å; V189-F202 HydrophobicContact CG2-CE2 3.91Å; M193-F202 HydrophobicContact CE-CE2 4.34Å; M193-F202 HydrophobicContact SD-CE2 3.68Å; M193-F202 HydrophobicContact SD-CZ 4.45Å; A198-F202 HydrophobicContact CB-CD2 4.26Å; A198-F202 WeakPolarHBondContact O-CB 3.38Å; A198-F202 WeakPolarHBondContact O-CD2 3.42Å; A198-F202 PolarHBondContact O-N 2.92Å; F202-I204 PolarHBondContact O-N 3.41Å; F202-I204 VanDerWaalsContact O-N 3.11Å; F202-G205 PolarHBondContact O-N 2.96Å; F202-V206 HydrophobicContact CB-CG2 3.84Å; F202-V206 HydrophobicContact CD2-CG2 4.09Å; F202-V206 HydrophobicContact CG-CG2 4.43Å; F202-T221 HydrophobicContact CB-CG2 4.42Å; F202-T221 WeakPolarHBondContact CB-OG1 3.05Å; F202-T221 HydrophobicContact CD1-CG2 3.92Å; F202-T221 HydrophobicContact CD2-CG2 4.25Å; F202-T221 HydrophobicContact CE1-CG2 4.27Å; F202-T221 HydrophobicContact CG-CG2 3.92Å; F202-P224 HydrophobicContact CD1-CG 4.21Å; F202-P224 HydrophobicContact CE1-CG 4.04Å
203P90.4Very high93.7Very high113 Ų11373.8 Ų73.873%0.73442%0.422SS*.THydrogen-bonded Turntrans-67.8-14.8-172.928.3-37.1000114.2L201 G205L201-P203 VanDerWaalsContact C-CD 3.45Å; L201-P203 VanDerWaalsContact O-CD 3.31Å; L201-P203 WeakPolarHBondContact O-CD 3.3Å; P203-G205 VanDerWaalsContact C-N 3.26Å
204I89.8Confident93.7Very high76 Ų7675.9 Ų75.939%0.3945%0.447SS..THydrogen-bonded Turntrans-70.3-28.8174.9-54.8178.2000110.5F202 P222 R227F202-I204 PolarHBondContact O-N 3.41Å; F202-I204 VanDerWaalsContact O-N 3.11Å; I204-P222 HydrophobicContact CB-CG 4.34Å; I204-P222 HydrophobicContact CG2-CB 4.18Å; I204-P222 HydrophobicContact CG2-CG 3.74Å; I204-R227 HydrophobicContact CD1-CB 4.22Å; I204-R227 HydrophobicContact CD1-CG 4.27Å
205G90.8Very high93.6Very high21 Ų2181.1 Ų81.122%0.21646%0.457CS..  trans141.1150175.100000113F202 P203 T221 P222F202-G205 PolarHBondContact O-N 2.96Å; P203-G205 VanDerWaalsContact C-N 3.26Å; G205-T221 WeakPolarHBondContact O-CB 3.24Å; G205-T221 PolarHBondContact O-OG1 2.93Å; G205-P222 WeakPolarHBondContact O-CD 3.36Å
206V93.8Very high93.6Very high46 Ų4680.8 Ų80.828%0.27945%0.454SS..  trans-122.5124.1171.6179.80000108.1V189 A198 F202 R219 Y220V189-V206 HydrophobicContact CG2-CG1 3.99Å; V189-V206 HydrophobicContact CG2-CG2 4.32Å; A198-V206 HydrophobicContact CB-CG2 4.19Å; F202-V206 HydrophobicContact CB-CG2 3.84Å; F202-V206 HydrophobicContact CD2-CG2 4.09Å; F202-V206 HydrophobicContact CG-CG2 4.43Å; V206-R219 HydrophobicContact CG1-CB 4.15Å; V206-Y220 CarbonylContact C-O 3.55Å; V206-Y220 WeakPolarHBondContact CA-O 3.36Å
207F91.8Very high93.7Very high93 Ų9378.4 Ų78.441%0.40844%0.438SS..EExtended strand (participates in β ladder)trans-109.2119-178.9-55.4-85.1000109.1R219 Y220F207-R219 CarbonylContact O-C 3.54Å; F207-R219 VanDerWaalsContact O-CA 3.31Å; F207-R219 WeakPolarHBondContact O-CA 3.16Å; F207-Y220 PolarHBondContact N-O 3.12Å; F207-Y220 PolarHBondContact O-N 3.45Å
208S93.1Very high93.7Very high51 Ų5176 Ų7636%0.35743%0.428SS..EExtended strand (participates in β ladder)trans-98.8125.9175-59.40000109.6R219S208-R219 WeakPolarHBondContact OG-CG 3.37Å
209K93.1Very high93.7Very high73 Ų7376.4 Ų76.432%0.31743%0.429SS..PPolyproline II helixtrans-85.9123.4172.4178.7161178.2166.90109.2L211 L218 Y220 P234K209-L211 HydrophobicContact CG-CD2 4.43Å; K209-L218 HydrophobicContact CB-CB 4.48Å; K209-L218 HydrophobicContact CB-CD2 3.87Å; K209-L218 HydrophobicContact CB-CG 4.23Å; K209-L218 HydrophobicContact CD-CD2 3.85Å; K209-L218 HydrophobicContact CG-CD2 3.99Å; K209-L218 PolarHBondContact N-O 3.17Å; K209-Y220 HydrophobicContact CB-CE2 4.42Å; K209-P234 PolarHBondContact NZ-O 3.36Å; K209-P234 PolarHBondContact NZ-OXT 2.95Å
210E94.4Very high93.8Very high140 Ų14074.5 Ų74.565%0.65441%0.409SS*.PPolyproline II helixtrans-66.7134.1175.3-70.3-59.6146.200110.4
211L95.3Very high93.9Very high37 Ų3770.8 Ų70.819%0.19438%0.378CS..  trans-129.1153.8-176.1-67.3179.1000110.8K209 S213 G214 Y217 L218K209-L211 HydrophobicContact CG-CD2 4.43Å; L211-S213 PolarHBondContact O-N 3.42Å; L211-G214 PolarHBondContact O-N 2.7Å; L211-Y217 HydrophobicContact CD1-CD1 4.35Å; L211-Y217 HydrophobicContact CD1-CE1 3.51Å; L211-Y217 HydrophobicContact CD1-CE2 4.11Å; L211-Y217 VanDerWaalsContact CD1-OH 3.3Å; L211-Y217 WeakPolarHBondContact CD1-OH 3.41Å; L211-L218 HydrophobicContact CD1-CB 3.75Å; L211-L218 HydrophobicContact CD1-CD2 4Å; L211-L218 HydrophobicContact CD1-CG 4.5Å; L211-L218 HydrophobicContact CD2-CD2 3.92Å; L211-L218 HydrophobicContact CG-CB 4.43Å; L211-L218 HydrophobicContact CG-CD2 4.26Å
212P97.7Very high93.9Very high143 Ų14367.1 Ų67.193%0.92936%0.359SS*.THydrogen-bonded Turntrans-55.7-23.5-179.9-27.835.5000115.2G214P212-G214 VanDerWaalsContact C-N 3.28Å; P212-G214 PolarHBondContact O-N 2.91Å
213S96.4Very high93.8Very high67 Ų6767 Ų6747%0.46936%0.359SS..THydrogen-bonded Turntrans-74.5-13.6177.671.10000114.7L211 R215L211-S213 PolarHBondContact O-N 3.42Å; S213-R215 PolarHBondContact O-N 2.81Å; S213-R215 WeakPolarHBondContact OG-CB 3.15Å; S213-R215 PolarHBondContact OG-N 2.86Å
214G94.6Very high93.6Very high56 Ų5663.4 Ų63.458%0.57734%0.336SS*.  trans682.6-170.400000114.8L211 P212L211-G214 PolarHBondContact O-N 2.7Å; P212-G214 VanDerWaalsContact C-N 3.28Å; P212-G214 PolarHBondContact O-N 2.91Å
215R93.6Very high93.4Very high183 Ų18365.6 Ų65.669%0.69134%0.344SS*.  trans-86.2131.9179.3-60.1-178.1-179-170.90.2111S213 Y217S213-R215 PolarHBondContact O-N 2.81Å; S213-R215 WeakPolarHBondContact OG-CB 3.15Å; S213-R215 PolarHBondContact OG-N 2.86Å; R215-Y217 VanDerWaalsContact C-N 3.35Å; R215-Y217 HydrophobicContact CB-CD1 3.75Å; R215-Y217 HydrophobicContact CB-CE1 4.21Å; R215-Y217 PolarHBondContact O-N 2.7Å
216K92.9Very high92.7Very high107 Ų10767 Ų6747%0.46535%0.347SS..THydrogen-bonded Turntrans-90.649.2-179.3-59.4-173.3-177.5-176.30114.2E195 R219E195-K216 WeakPolarHBondContact OE1-CD 3.3Å; E195-K216 IonicContact OE1-NZ 3.21Å; E195-K216 PolarHBondContact OE1-NZ 3.49Å; E195-K216 IonicContact OE2-NZ 2.77Å; K216-R219 WeakPolarHBondContact O-CD 3.4Å; K216-R219 WeakPolarHBondContact O-CG 3.35Å
217Y94.6Very high91.4Very high120 Ų12075.1 Ų75.147%0.47137%0.372SS..THydrogen-bonded Turntrans-90.6-23.5178.968.7-89.2000113L211 R215 R219L211-Y217 HydrophobicContact CD1-CD1 4.35Å; L211-Y217 HydrophobicContact CD1-CE1 3.51Å; L211-Y217 HydrophobicContact CD1-CE2 4.11Å; L211-Y217 VanDerWaalsContact CD1-OH 3.3Å; L211-Y217 WeakPolarHBondContact CD1-OH 3.41Å; R215-Y217 VanDerWaalsContact C-N 3.35Å; R215-Y217 HydrophobicContact CB-CD1 3.75Å; R215-Y217 HydrophobicContact CB-CE1 4.21Å; R215-Y217 PolarHBondContact O-N 2.7Å; Y217-R219 VanDerWaalsContact C-N 3.32Å; Y217-R219 PolarHBondContact O-N 2.81Å
218L95.8Very high90.2Very high34 Ų3477.7 Ų77.718%0.17838%0.384CS..  trans-86.477.3-176.7-165.968.1000110M188 K209 L211 Y220M188-L218 HydrophobicContact CE-CD1 3.61Å; M188-L218 HydrophobicContact CE-CG 4.41Å; K209-L218 HydrophobicContact CB-CB 4.48Å; K209-L218 HydrophobicContact CB-CD2 3.87Å; K209-L218 HydrophobicContact CB-CG 4.23Å; K209-L218 HydrophobicContact CD-CD2 3.85Å; K209-L218 HydrophobicContact CG-CD2 3.99Å; K209-L218 PolarHBondContact N-O 3.17Å; L211-L218 HydrophobicContact CD1-CB 3.75Å; L211-L218 HydrophobicContact CD1-CD2 4Å; L211-L218 HydrophobicContact CD1-CG 4.5Å; L211-L218 HydrophobicContact CD2-CD2 3.92Å; L211-L218 HydrophobicContact CG-CB 4.43Å; L211-L218 HydrophobicContact CG-CD2 4.26Å; L218-Y220 HydrophobicContact CD1-CE2 4.38Å; L218-Y220 HydrophobicContact CD2-CE2 4.44Å; L218-Y220 HydrophobicContact CG-CE2 3.9Å
219R95.6Very high89Confident9 Ų978.2 Ų78.23%0.03440%0.397CS..EExtended strand (participates in β ladder)trans-114127.9-174.5-61.5-173.1-62.5178.8-4.9110.7M188 V189 P190 M193 V206 F207 S208 K216 Y217M188-R219 WeakPolarHBondContact CA-O 3.43Å; V189-R219 HydrophobicContact CB-CB 3.9Å; V189-R219 HydrophobicContact CG2-CB 4.27Å; V189-R219 PolarHBondContact N-O 2.9Å; P190-R219 PolarHBondContact O-NH2 2.93Å; M193-R219 PolarHBondContact O-NH1 2.73Å; M193-R219 PolarHBondContact O-NH2 2.02Å; V206-R219 HydrophobicContact CG1-CB 4.15Å; F207-R219 CarbonylContact O-C 3.54Å; F207-R219 VanDerWaalsContact O-CA 3.31Å; F207-R219 WeakPolarHBondContact O-CA 3.16Å; S208-R219 WeakPolarHBondContact OG-CG 3.37Å; K216-R219 WeakPolarHBondContact O-CD 3.4Å; K216-R219 WeakPolarHBondContact O-CG 3.35Å; Y217-R219 VanDerWaalsContact C-N 3.32Å; Y217-R219 PolarHBondContact O-N 2.81Å
220Y95.3Very high88.1Confident22 Ų2275.6 Ų75.69%0.08639%0.388CS..EExtended strand (participates in β ladder)trans-108.1151.3177.8-61.3-92.2000110.6C186 V187 M188 V206 F207 K209 L218 P232 P233C186-Y220 HydrophobicContact CB-CD1 4.16Å; V187-Y220 CarbonylContact O-C 3.52Å; V187-Y220 VanDerWaalsContact O-CA 3.27Å; V187-Y220 WeakPolarHBondContact O-CA 3.27Å; M188-Y220 HydrophobicContact CE-CD1 4.16Å; M188-Y220 HydrophobicContact CE-CE1 3.83Å; M188-Y220 HydrophobicContact CE-CE2 4.28Å; M188-Y220 HydrophobicContact SD-CD1 3.43Å; M188-Y220 WeakPolarHBondContact SD-CD1 3.36Å; M188-Y220 HydrophobicContact SD-CE1 3.24Å; M188-Y220 WeakPolarHBondContact SD-CE1 3.42Å; M188-Y220 HydrophobicContact SD-CG 4.26Å; V206-Y220 CarbonylContact C-O 3.55Å; V206-Y220 WeakPolarHBondContact CA-O 3.36Å; F207-Y220 PolarHBondContact N-O 3.12Å; F207-Y220 PolarHBondContact O-N 3.45Å; K209-Y220 HydrophobicContact CB-CE2 4.42Å; L218-Y220 HydrophobicContact CD1-CE2 4.38Å; L218-Y220 HydrophobicContact CD2-CE2 4.44Å; L218-Y220 HydrophobicContact CG-CE2 3.9Å; Y220-P232 HydrophobicContact CD1-CB 4.4Å; Y220-P232 HydrophobicContact CD2-CB 3.98Å; Y220-P232 HydrophobicContact CE2-CB 4.43Å; Y220-P232 HydrophobicContact CG-CB 3.97Å; Y220-P233 HydrophobicContact CE1-CG 4.04Å
221T95Very high87Confident3 Ų377.8 Ų77.82%0.01840%0.398CS..EExtended strand (participates in β ladder)trans-144.1150.7166.1-171.40000109.1V175 V187 V189 F202 G205V175-T221 HydrophobicContact CG1-CG2 4.27Å; V187-T221 HydrophobicContact CG2-CG2 3.68Å; V187-T221 WeakPolarHBondContact CG2-O 3.43Å; V187-T221 PolarHBondContact N-O 2.79Å; V187-T221 PolarHBondContact O-N 3.03Å; V189-T221 HydrophobicContact CG2-CG2 3.84Å; F202-T221 HydrophobicContact CB-CG2 4.42Å; F202-T221 WeakPolarHBondContact CB-OG1 3.05Å; F202-T221 HydrophobicContact CD1-CG2 3.92Å; F202-T221 HydrophobicContact CD2-CG2 4.25Å; F202-T221 HydrophobicContact CE1-CG2 4.27Å; F202-T221 HydrophobicContact CG-CG2 3.92Å; G205-T221 WeakPolarHBondContact O-CB 3.24Å; G205-T221 PolarHBondContact O-OG1 2.93Å
222P93.8Very high85.5Confident3 Ų378.6 Ų78.62%0.01941%0.405CS..  trans-56.5153.9171-25.737.8000111.8I204 G205 P224 C230I204-P222 HydrophobicContact CB-CG 4.34Å; I204-P222 HydrophobicContact CG2-CB 4.18Å; I204-P222 HydrophobicContact CG2-CG 3.74Å; G205-P222 WeakPolarHBondContact O-CD 3.36Å; P222-P224 VanDerWaalsContact O-CD 3.28Å; P222-P224 WeakPolarHBondContact O-CD 3.5Å; P222-P224 VanDerWaalsContact O-N 3.15Å; P222-C230 VanDerWaalsContact CA-SG 3.53Å; P222-C230 HydrophobicContact CB-CB 4.22Å; P222-C230 HydrophobicContact CG-CB 4.3Å
223D91.3Very high83.9Confident9 Ų975 Ų755%0.04838%0.382CS..  trans-53.8120.6176.3-172.6-30.3000109.7G184 Q225 D226G184-D223 PolarHBondContact N-OD2 2.66Å; D223-Q225 PolarHBondContact O-N 2.77Å; D223-Q225 WeakPolarHBondContact OD1-CB 3.42Å; D223-Q225 PolarHBondContact OD1-N 2.79Å; D223-D226 HydrophobicContact CB-CB 4.22Å; D223-D226 CarbonylContact O-C 3.53Å; D223-D226 PolarHBondContact O-N 3.22Å; D223-D226 VanDerWaalsContact O-N 3.07Å
224P87.9Confident82Confident38 Ų3880 Ų8025%0.24741%0.413CS..SBendtrans-61.9-15.7-179.5-2433.9000114.5K173 V175 F202 P222K173-P224 HydrophobicContact CB-CG 4.33Å; K173-P224 HydrophobicContact CD-CB 3.98Å; K173-P224 HydrophobicContact CG-CB 4.08Å; K173-P224 HydrophobicContact CG-CG 4.29Å; V175-P224 HydrophobicContact CG1-CG 4.07Å; F202-P224 HydrophobicContact CD1-CG 4.21Å; F202-P224 HydrophobicContact CE1-CG 4.04Å; P222-P224 VanDerWaalsContact O-CD 3.28Å; P222-P224 WeakPolarHBondContact O-CD 3.5Å; P222-P224 VanDerWaalsContact O-N 3.15Å
225Q83.9Confident81.4Confident123 Ų12381.2 Ų81.258%0.57540%0.404SS*.SBendtrans-90.1-31175.2-56.5-172.137.800112.5L169 D223L169-Q225 HydrophobicContact CD1-CG 3.9Å; D223-Q225 PolarHBondContact O-N 2.77Å; D223-Q225 WeakPolarHBondContact OD1-CB 3.42Å; D223-Q225 PolarHBondContact OD1-N 2.79Å
226D76.8Confident80.7Confident50 Ų5075.8 Ų75.827%0.26739%0.389SS..  trans-107.5105.4176.7-166.4-9.3000110.3D223 K228D223-D226 HydrophobicContact CB-CB 4.22Å; D223-D226 CarbonylContact O-C 3.53Å; D223-D226 PolarHBondContact O-N 3.22Å; D223-D226 VanDerWaalsContact O-N 3.07Å; D226-K228 PolarHBondContact O-N 3.23Å; D226-K228 WeakPolarHBondContact OD1-CB 3.44Å; D226-K228 WeakPolarHBondContact OD1-CD 3.31Å; D226-K228 VanDerWaalsContact OD1-CG 3.27Å; D226-K228 WeakPolarHBondContact OD1-CG 3.45Å; D226-K228 PolarHBondContact OD1-N 2.93Å
227R67.1Low80Confident216 Ų21674.1 Ų74.182%0.81539%0.385SS*.  trans-69.83.7-177.3-62.3-174.6-178.9-178.40.4114.1I204 G229I204-R227 HydrophobicContact CD1-CB 4.22Å; I204-R227 HydrophobicContact CD1-CG 4.27Å; R227-G229 PolarHBondContact O-N 3.18Å
228K65.8Low79.2Confident148 Ų14871.4 Ų71.464%0.64338%0.38SS*.SBendtrans-68.6123169.5-67.7172.8-168.6167.90107.5D226D226-K228 PolarHBondContact O-N 3.23Å; D226-K228 WeakPolarHBondContact OD1-CB 3.44Å; D226-K228 WeakPolarHBondContact OD1-CD 3.31Å; D226-K228 VanDerWaalsContact OD1-CG 3.27Å; D226-K228 WeakPolarHBondContact OD1-CG 3.45Å; D226-K228 PolarHBondContact OD1-N 2.93Å
229G67.7Low78.1Confident62 Ų6273.7 Ų73.764%0.63939%0.393SS*.  trans-52.6154.517100000110.3R227R227-G229 PolarHBondContact O-N 3.18Å
230C75.6Confident77Confident18 Ų1878 Ų7812%0.12242%0.417CS..  trans-122.8140.5179.682.50000108.8C186 P222C186-C230 WeakPolarHBondContact CA-SG 3.3Å; C186-C230 HydrophobicContact CB-CB 4Å; C186-C230 WeakPolarHBondContact CB-SG 3.45Å; C186-C230 WeakPolarHBondContact SG-CB 3.16Å; C186-C230 CovalentContact SG-SG 2.02Å; C186-C230 PolarHBondContact SG-SG 3.46Å; P222-C230 VanDerWaalsContact CA-SG 3.53Å; P222-C230 HydrophobicContact CB-CB 4.22Å; P222-C230 HydrophobicContact CG-CB 4.3Å
231E70.2Confident75.7Confident185 Ų18582 Ų8286%0.86444%0.44SS*.PPolyproline II helixtrans-89.2121.9167.6-71-173.3172.300107.8C186C186-E231 PolarHBondContact SG-O 3.11Å
232P64.7Low74.2Confident54 Ų5488.1 Ų88.135%0.35147%0.473SS..PPolyproline II helixtrans-61.9146.1177.724.5-31.2000109.9Y220Y220-P232 HydrophobicContact CD1-CB 4.4Å; Y220-P232 HydrophobicContact CD2-CB 3.98Å; Y220-P232 HydrophobicContact CE2-CB 4.43Å; Y220-P232 HydrophobicContact CG-CB 3.97Å
233P63.3Low72.6Confident68 Ų6895.2 Ų95.244%0.44251%0.51SS..PPolyproline II helixtrans-57.6148.5176.123.1-31.5000110.9Y220Y220-P233 HydrophobicContact CE1-CG 4.04Å
234P56.3Low70.8Confident171 Ų171103 Ų103100%1.1155%0.552SS**  trans-55.10-173.120.4-32000114.4K209K209-P234 PolarHBondContact NZ-O 3.36Å; K209-P234 PolarHBondContact NZ-OXT 2.95Å

Retrieved 234 of 234 residues in 105.7 ms (Link to these results)

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