A0A087XG82_POEFO Loading...

Homeobox domain-containing protein

AlphaFold DB , UniProt , Accession A0A087XG82, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 284 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
1M45.6Very low50.7Low239 Ų239165 Ų165100%1.17781%0.814SS**  0101.30-67.815167.900108
2W53.8Low51.1Low254 Ų254162.3 Ų162.396%0.96282%0.818SS**PPolyproline II helixtrans-89.5138.7164.746.8-71.7000107.2
3K52.5Low51Low197 Ų197157.6 Ų157.686%0.85780%0.803SS**PPolyproline II helixtrans-84.7146.9-171.6-87177.4169.4178.70111.2
4D57.9Low50.6Low138 Ų138153 Ų15374%0.73880%0.801SS**PPolyproline II helixtrans-59.2145.6163.4-173.7-87.3000111.2S6D4-S6 PolarHBondContact OD1-N 3.13Å
5S56.7Low50.7Low124 Ų124151.5 Ų151.587%0.86781%0.808SS**  trans-149.480.3161.6-790000109.2
6S54.1Low50.6Low100 Ų100148.9 Ų148.970%0.69981%0.805SS**  trans-84.6121.4163.9-173.70000111.2D4D4-S6 PolarHBondContact OD1-N 3.13Å
7H46.1Very low50.9Low172 Ų172147.1 Ų147.180%0.79681%0.807SS**  trans-161.2105147.8-150.5-83.7000113.3
8D50.3Low50.7Low130 Ų130142.8 Ų142.870%0.69580%0.802SS**  trans35.3155.9132.4-149.1-132.6000125.2
9E41.8Very low50.9Low151 Ų151140.5 Ų140.571%0.70680%0.796SS**  trans89145.7155-111.9-74.387.200120.7
10S51.7Low51Low90 Ų90138.6 Ų138.663%0.62979%0.792SS**  trans-106.7142.2-155.4-28.60000110.6
11R47.2Very low51.3Low220 Ų220143.1 Ų143.183%0.8380%0.797SS**  trans-154.7115.8161.9-141.7172.8168.5-172.3-4.9113.2T13R11-T13 HydrophobicContact CG-CG2 4.05Å; R11-T13 PolarHBondContact O-N 3.08Å
12P55.3Low51.9Low132 Ų132136.7 Ų136.786%0.85778%0.775SS**  trans-82.6103.617131.9-30.1000109.1
13T50.4Low52.1Low102 Ų102128.7 Ų128.763%0.62676%0.763SS**  trans-122.3114174.657.80000112R11R11-T13 HydrophobicContact CG-CG2 4.05Å; R11-T13 PolarHBondContact O-N 3.08Å
14A44.7Very low52.7Low93 Ų93124.9 Ų124.977%0.76976%0.761SS**  trans43.7108.3154.600000118S16A14-S16 PolarHBondContact O-N 2.96Å
15S52.5Low53.6Low131 Ų131129.3 Ų129.392%0.91677%0.768SS**  trans-54.696158.152.20000111.6
16S48.5Very low54.6Low109 Ų109133.8 Ų133.876%0.76277%0.765SS**  trans-97.8134.1164-1730000109.3A14 G18A14-S16 PolarHBondContact O-N 2.96Å; S16-G18 PolarHBondContact O-N 2.96Å
17S55.7Low56.1Low118 Ų118138 Ų13883%0.82577%0.771SS**  trans-60.283.7-168.742.60000114.4S19S17-S19 PolarHBondContact O-N 3.12Å
18G47.1Very low58.2Low70 Ų70141.1 Ų141.172%0.72278%0.776SS**  trans-64.983.1160.200000110.4S16 S20S16-G18 PolarHBondContact O-N 2.96Å; G18-S20 PolarHBondContact O-N 3.17Å
19S54.4Low60.2Low100 Ų100136.7 Ų136.770%0.69975%0.754SS**  trans-52.4107.2175.5177.80000109.4S17 R21S17-S19 PolarHBondContact O-N 3.12Å; S19-R21 VanDerWaalsContact C-N 3.3Å; S19-R21 WeakPolarHBondContact O-CG 3.43Å; S19-R21 PolarHBondContact O-N 3.28Å
20S53.1Low62.7Low102 Ų102134.6 Ų134.671%0.71376%0.756SS**  trans-7782.5-172460000109.9G18 S22G18-S20 PolarHBondContact O-N 3.17Å; S20-S22 PolarHBondContact O-N 3.45Å
21R58.3Low64.7Low234 Ų234132.9 Ų132.988%0.88374%0.737SS**  trans-59.94.2174.7-39.3-177.4-163.1157.33.8114.1S19 A23S19-R21 VanDerWaalsContact C-N 3.3Å; S19-R21 WeakPolarHBondContact O-CG 3.43Å; S19-R21 PolarHBondContact O-N 3.28Å; R21-A23 PolarHBondContact O-N 2.88Å
22S57.6Low67Low104 Ų104125.3 Ų125.373%0.72772%0.718SS**SBendtrans-68.475.4163.1-1680000108.8S20 S24S20-S22 PolarHBondContact O-N 3.45Å; S22-S24 PolarHBondContact O-N 3.14Å
23A57.8Low69Low86 Ų86127 Ų12771%0.71171%0.712SS**  trans-47.1124.8176.300000109.4R21 R25R21-A23 PolarHBondContact O-N 2.88Å; A23-R25 PolarHBondContact O-N 3.31Å
24S65.9Low71.3Confident117 Ų117129 Ų12982%0.81871%0.714SS**  trans-46.793.4-168.3-174.70000112.3S22 R26S22-S24 PolarHBondContact O-N 3.14Å; S24-R26 PolarHBondContact O-N 3.42Å
25R76.8Confident73.8Confident231 Ų231127 Ų12787%0.87269%0.689SS**  trans-70102.3179.5-178177.1-76.8-150.3-1.6106.4A23 K27A23-R25 PolarHBondContact O-N 3.31Å; R25-K27 PolarHBondContact O-N 3.38Å
26R78.3Confident75.9Confident217 Ų217122.3 Ų122.382%0.81965%0.654SS**  trans-42.5125.6180-61.5-178.4-170135.81.7109.1S24 R28S24-R26 PolarHBondContact O-N 3.42Å; R26-R28 PolarHBondContact O-N 2.81Å
27K85.2Confident78.2Confident188 Ų188121 Ų12182%0.81764%0.636SS**PPolyproline II helixtrans-50.7137.7-178.6-63.7-71.3-174.2172.60109.6R25 T29 R67R25-K27 PolarHBondContact O-N 3.38Å; K27-T29 PolarHBondContact O-N 2.89Å; K27-R67 PolarHBondContact O-NH2 3.43Å
28R90.2Very high80.2Confident239 Ų239118.3 Ų118.390%0.90261%0.612SS**PPolyproline II helixtrans-68.7131.4178.8-176.5176178.2176.8-2108.1R26R26-R28 PolarHBondContact O-N 2.81Å
29T92.2Very high82.6Confident37 Ų37115 Ų11523%0.22758%0.578CS.*PPolyproline II helixtrans-76.4127.9171.142.60000109.7K27 R67K27-T29 PolarHBondContact O-N 2.89Å; T29-R67 HydrophobicContact CG2-CG 3.91Å; T29-R67 PolarHBondContact OG1-NH1 3.02Å
30S93.3Very high84.7Confident107 Ų107114.5 Ų114.575%0.74856%0.561SS**PPolyproline II helixtrans-86.5149.9163.8-161.70000109.2
31F93.7Very high86.8Confident53 Ų53112.8 Ų112.823%0.23255%0.546CS..  trans-115.8130.9174.5-65.4-103.2000107.4V36 L39 L63 W71F31-V36 HydrophobicContact CB-CG2 3.59Å; F31-V36 HydrophobicContact CG-CG2 4.47Å; F31-L39 HydrophobicContact CD1-CD1 3.81Å; F31-L39 HydrophobicContact CE1-CD1 3.81Å; F31-L63 HydrophobicContact CD1-CD1 3.32Å; F31-L63 HydrophobicContact CE1-CD1 3.46Å; F31-L63 VanDerWaalsContact CE1-CD1 3.46Å; F31-L63 HydrophobicContact CG-CD1 4.18Å; F31-L63 HydrophobicContact CZ-CD1 4.39Å; F31-W71 HydrophobicContact CE1-CB 4.3Å; F31-W71 AromaticContact CE1-CD1 3.79Å; F31-W71 HydrophobicContact CE1-CG 4.29Å; F31-W71 HydrophobicContact CZ-CB 4.09Å; F31-W71 AromaticContact CZ-CD1 3.77Å; F31-W71 HydrophobicContact CZ-CG 4.3Å
32S97.3Very high88.7Confident61 Ų61102.4 Ų102.443%0.42751%0.508SS..  trans-66.5157.3170.3-1750000110.5E34 H35 V36S32-E34 VanDerWaalsContact C-N 3.29Å; S32-E34 PolarHBondContact O-N 3.35Å; S32-H35 PolarHBondContact O-N 2.95Å; S32-H35 VanDerWaalsContact O-N 3.07Å; S32-V36 WeakPolarHBondContact O-CG2 3.22Å; S32-V36 PolarHBondContact O-N 3.24Å
33K96.8Very high90.6Very high169 Ų16998.5 Ų98.574%0.73548%0.478SS*.Hα-helixtrans-53.7-48.1175.2-173.3-178177.6-175.10110.8H35 V36 E37K33-H35 VanDerWaalsContact C-N 3.32Å; K33-H35 PolarHBondContact O-N 3.37Å; K33-V36 PolarHBondContact O-N 3.01Å; K33-V36 VanDerWaalsContact O-N 3.15Å; K33-E37 PolarHBondContact O-N 3.31Å
34E97.3Very high92.4Very high142 Ų142101 Ų10166%0.66448%0.476SS*.Hα-helixtrans-49.3-49.2173.5-56.1-57.914500112.4S32 E37 L38S32-E34 VanDerWaalsContact C-N 3.29Å; S32-E34 PolarHBondContact O-N 3.35Å; E34-E37 PolarHBondContact O-N 3.06Å; E34-L38 PolarHBondContact O-N 3.49Å
35H97.1Very high93.9Very high52 Ų52101 Ų10124%0.24147%0.471CS..Hα-helixtrans-69-38.4-177.3-58.3179.9000111.2S32 K33 E37 L39 T61S32-H35 PolarHBondContact O-N 2.95Å; S32-H35 VanDerWaalsContact O-N 3.07Å; K33-H35 VanDerWaalsContact C-N 3.32Å; K33-H35 PolarHBondContact O-N 3.37Å; H35-E37 VanDerWaalsContact C-N 3.28Å; H35-E37 PolarHBondContact O-N 3.26Å; H35-L39 WeakPolarHBondContact O-CB 3.44Å; H35-L39 WeakPolarHBondContact O-CD1 3.49Å; H35-L39 WeakPolarHBondContact O-CG 3.27Å; H35-L39 PolarHBondContact O-N 2.98Å; H35-L39 VanDerWaalsContact O-N 3.09Å; H35-T61 HydrophobicContact CB-CG2 3.98Å; H35-T61 PolarHBondContact CE1-O 3.23Å
36V97.4Very high94.8Very high32 Ų3292.6 Ų92.619%0.19444%0.443CS..Hα-helixtrans-64.5-36.6176175.90000110.7F31 S32 K33 L39 R40 W71F31-V36 HydrophobicContact CB-CG2 3.59Å; F31-V36 HydrophobicContact CG-CG2 4.47Å; S32-V36 WeakPolarHBondContact O-CG2 3.22Å; S32-V36 PolarHBondContact O-N 3.24Å; K33-V36 PolarHBondContact O-N 3.01Å; K33-V36 VanDerWaalsContact O-N 3.15Å; V36-L39 PolarHBondContact O-N 3Å; V36-R40 HydrophobicContact CG1-CG 4.46Å; V36-R40 VanDerWaalsContact O-CG 3.26Å; V36-R40 WeakPolarHBondContact O-CG 3.42Å; V36-R40 PolarHBondContact O-N 3.46Å; V36-W71 HydrophobicContact CG1-CZ2 4.49Å
37E97.8Very high95.7Very high83 Ų8384.6 Ų84.639%0.38842%0.419SS..Hα-helixtrans-71.5-45.1-179.7-153.455-137.300112.4K33 E34 H35 L39 R40 T41K33-E37 PolarHBondContact O-N 3.31Å; E34-E37 PolarHBondContact O-N 3.06Å; H35-E37 VanDerWaalsContact C-N 3.28Å; H35-E37 PolarHBondContact O-N 3.26Å; E37-L39 PolarHBondContact O-N 2.91Å; E37-R40 WeakPolarHBondContact O-CB 3.4Å; E37-R40 PolarHBondContact O-N 2.7Å; E37-R40 WeakPolarHBondContact OE2-CD 3.22Å; E37-R40 IonicContact OE2-CZ 3.68Å; E37-R40 IonicContact OE2-NE 3.96Å; E37-R40 IonicContact OE2-NH1 2.67Å; E37-R40 PolarHBondContact OE2-NH1 3.49Å; E37-T41 PolarHBondContact O-N 2.95Å; E37-T41 PolarHBondContact O-OG1 2.59Å
38L97.5Very high96.2Very high60 Ų6083.6 Ų83.631%0.31441%0.411SS..Hα-helixtrans-57.3-38.5171.4179.462.6000112.4E34 T41 T42 L57 T60 T61E34-L38 PolarHBondContact O-N 3.49Å; L38-T41 PolarHBondContact O-OG1 3Å; L38-T41 VanDerWaalsContact O-OG1 3.09Å; L38-T42 WeakPolarHBondContact O-CB 3.28Å; L38-T42 PolarHBondContact O-N 3.46Å; L38-T42 VanDerWaalsContact O-N 3.15Å; L38-T42 PolarHBondContact O-OG1 2.82Å; L38-L57 HydrophobicContact CD1-CD2 4.32Å; L38-L57 HydrophobicContact CD2-CD2 3.95Å; L38-L57 HydrophobicContact CG-CD2 3.82Å; L38-T60 HydrophobicContact CD2-CG2 3.58Å; L38-T61 HydrophobicContact CD2-CG2 4.02Å
39L97.7Very high96.6Very high0 Ų072.4 Ų72.40%037%0.37CS..Hα-helixtrans-71.9-28.7176.4-69.2169.3000112.7F31 H35 V36 E37 F43 L57 I68 W71 F72F31-L39 HydrophobicContact CD1-CD1 3.81Å; F31-L39 HydrophobicContact CE1-CD1 3.81Å; H35-L39 WeakPolarHBondContact O-CB 3.44Å; H35-L39 WeakPolarHBondContact O-CD1 3.49Å; H35-L39 WeakPolarHBondContact O-CG 3.27Å; H35-L39 PolarHBondContact O-N 2.98Å; H35-L39 VanDerWaalsContact O-N 3.09Å; V36-L39 PolarHBondContact O-N 3Å; E37-L39 PolarHBondContact O-N 2.91Å; L39-F43 VanDerWaalsContact O-CB 3.23Å; L39-F43 WeakPolarHBondContact O-CB 3.42Å; L39-F43 PolarHBondContact O-N 3.19Å; L39-F43 VanDerWaalsContact O-N 3.11Å; L39-L57 HydrophobicContact CD2-CD1 4.08Å; L39-I68 HydrophobicContact CD2-CG1 4.34Å; L39-I68 HydrophobicContact CD2-CG2 3.84Å; L39-W71 HydrophobicContact CB-CD2 4.11Å; L39-W71 HydrophobicContact CB-CE3 3.98Å; L39-W71 HydrophobicContact CB-CH2 3.67Å; L39-W71 HydrophobicContact CB-CZ2 3.75Å; L39-W71 HydrophobicContact CB-CZ3 3.78Å; L39-W71 HydrophobicContact CD1-CD2 4.02Å; L39-W71 HydrophobicContact CD1-CG 4.06Å; L39-W71 WeakPolarHBondContact O-CH2 3.32Å; L39-W71 WeakPolarHBondContact O-CZ3 3.3Å; L39-F72 HydrophobicContact CD2-CD2 4.46Å; L39-F72 HydrophobicContact CD2-CE2 3.67Å; L39-F72 HydrophobicContact CD2-CZ 4.43Å
40R97.6Very high96.8Very high91 Ų9172.6 Ų72.634%0.34338%0.379SS..Hα-helixtrans-73-51.5174.6-77.1165177.5167.6-3.3111.7V36 E37 T42 F43 E44 W71V36-R40 HydrophobicContact CG1-CG 4.46Å; V36-R40 VanDerWaalsContact O-CG 3.26Å; V36-R40 WeakPolarHBondContact O-CG 3.42Å; V36-R40 PolarHBondContact O-N 3.46Å; E37-R40 WeakPolarHBondContact O-CB 3.4Å; E37-R40 PolarHBondContact O-N 2.7Å; E37-R40 WeakPolarHBondContact OE2-CD 3.22Å; E37-R40 IonicContact OE2-CZ 3.68Å; E37-R40 IonicContact OE2-NE 3.96Å; E37-R40 IonicContact OE2-NH1 2.67Å; E37-R40 PolarHBondContact OE2-NH1 3.49Å; R40-T42 VanDerWaalsContact C-N 3.28Å; R40-T42 PolarHBondContact O-N 3.37Å; R40-F43 WeakPolarHBondContact O-CA 3.39Å; R40-F43 WeakPolarHBondContact O-CB 3.47Å; R40-F43 PolarHBondContact O-N 2.86Å; R40-E44 PolarHBondContact O-N 2.81Å; R40-W71 HydrophobicContact CG-CH2 4.28Å; R40-W71 HydrophobicContact CG-CZ2 4.37Å
41T97.7Very high97Very high65 Ų6571.5 Ų71.540%0.39936%0.364SS..Hα-helixtrans-58.9-42.3178.552.60000111E37 L38 F43 E44 T45E37-T41 PolarHBondContact O-N 2.95Å; E37-T41 PolarHBondContact O-OG1 2.59Å; L38-T41 PolarHBondContact O-OG1 3Å; L38-T41 VanDerWaalsContact O-OG1 3.09Å; T41-F43 VanDerWaalsContact C-N 3.34Å; T41-F43 PolarHBondContact O-N 3.15Å; T41-E44 PolarHBondContact O-N 2.87Å; T41-T45 PolarHBondContact O-N 2.93Å
42T97.3Very high97.2Very high16 Ų1673 Ų7310%0.09838%0.382CS..Hα-helixtrans-65.7-34.2173.3-47.30000112.7L38 R40 E44 T45 D46 L53 L57 F72L38-T42 WeakPolarHBondContact O-CB 3.28Å; L38-T42 PolarHBondContact O-N 3.46Å; L38-T42 VanDerWaalsContact O-N 3.15Å; L38-T42 PolarHBondContact O-OG1 2.82Å; R40-T42 VanDerWaalsContact C-N 3.28Å; R40-T42 PolarHBondContact O-N 3.37Å; T42-E44 VanDerWaalsContact C-N 3.32Å; T42-E44 PolarHBondContact O-N 3.15Å; T42-T45 PolarHBondContact O-N 3.1Å; T42-T45 PolarHBondContact O-OG1 2.82Å; T42-D46 CarbonylContact O-C 3.59Å; T42-D46 PolarHBondContact O-N 3.44Å; T42-D46 VanDerWaalsContact O-O 3.13Å; T42-L53 HydrophobicContact CG2-CD1 4.42Å; T42-L53 HydrophobicContact CG2-CD2 4.03Å; T42-L53 HydrophobicContact CG2-CG 4.34Å; T42-L57 HydrophobicContact CG2-CD1 4.1Å; T42-F72 HydrophobicContact CG2-CZ 4.28Å
43F97.4Very high97.2Very high22 Ų2273.2 Ų73.210%0.09638%0.377CS..Hα-helixtrans-69.3-28.9176.8178.4-86.7000113.4L39 R40 T41 D46 P47 W71 F72 R75 R76L39-F43 VanDerWaalsContact O-CB 3.23Å; L39-F43 WeakPolarHBondContact O-CB 3.42Å; L39-F43 PolarHBondContact O-N 3.19Å; L39-F43 VanDerWaalsContact O-N 3.11Å; R40-F43 WeakPolarHBondContact O-CA 3.39Å; R40-F43 WeakPolarHBondContact O-CB 3.47Å; R40-F43 PolarHBondContact O-N 2.86Å; T41-F43 VanDerWaalsContact C-N 3.34Å; T41-F43 PolarHBondContact O-N 3.15Å; F43-D46 CarbonylContact O-C 3.58Å; F43-P47 HydrophobicContact CD2-CB 4.39Å; F43-P47 HydrophobicContact CE2-CB 4.01Å; F43-P47 HydrophobicContact CZ-CB 4.19Å; F43-W71 HydrophobicContact CB-CH2 4.49Å; F43-W71 HydrophobicContact CB-CZ3 4.2Å; F43-W71 HydrophobicContact CD2-CZ3 4.43Å; F43-F72 HydrophobicContact CB-CE1 3.83Å; F43-F72 HydrophobicContact CB-CZ 4.47Å; F43-F72 AromaticContact CD2-CD1 3.75Å; F43-F72 HydrophobicContact CD2-CD1 3.75Å; F43-F72 AromaticContact CD2-CE1 3.9Å; F43-F72 HydrophobicContact CD2-CE1 3.9Å; F43-F72 HydrophobicContact CG-CE1 4.38Å; F43-R75 HydrophobicContact CD1-CG 4.01Å; F43-R75 HydrophobicContact CD2-CB 4.06Å; F43-R75 HydrophobicContact CD2-CG 3.56Å; F43-R75 HydrophobicContact CE1-CG 3.92Å; F43-R75 HydrophobicContact CE2-CB 3.85Å; F43-R75 HydrophobicContact CE2-CG 3.45Å; F43-R75 VanDerWaalsContact CE2-CG 3.45Å; F43-R75 HydrophobicContact CG-CG 3.85Å; F43-R75 HydrophobicContact CZ-CB 4.4Å; F43-R75 HydrophobicContact CZ-CG 3.65Å; F43-R76 HydrophobicContact CE2-CG 3.67Å; F43-R76 HydrophobicContact CZ-CG 4.19Å
44E96.6Very high97.3Very high140 Ų14067.1 Ų67.165%0.65435%0.35SS*.Hα-helixtrans-73.9-32.9176.4-73.8164-164.500111.8R40 T41 T42R40-E44 PolarHBondContact O-N 2.81Å; T41-E44 PolarHBondContact O-N 2.87Å; T42-E44 VanDerWaalsContact C-N 3.32Å; T42-E44 PolarHBondContact O-N 3.15Å
45T96.8Very high97.4Very high116 Ų11664.9 Ų64.971%0.71234%0.339SS*.Hα-helixtrans-80.5-44.1173.258.90000112.9T41 T42T41-T45 PolarHBondContact O-N 2.93Å; T42-T45 PolarHBondContact O-N 3.1Å; T42-T45 PolarHBondContact O-OG1 2.82Å
46D96.1Very high97.4Very high55 Ų5567 Ų6729%0.29435%0.352SS..  trans-141.3105.1177.8-175.91.5000111.8T42 F43 Y48 P49T42-D46 CarbonylContact O-C 3.59Å; T42-D46 PolarHBondContact O-N 3.44Å; T42-D46 VanDerWaalsContact O-O 3.13Å; F43-D46 CarbonylContact O-C 3.58Å; D46-Y48 PolarHBondContact O-N 3.32Å; D46-Y48 WeakPolarHBondContact OD1-CA 3.5Å; D46-Y48 PolarHBondContact OD1-N 3.13Å; D46-P49 WeakPolarHBondContact O-CD 3.32Å; D46-P49 VanDerWaalsContact OD2-CA 3.29Å; D46-P49 WeakPolarHBondContact OD2-CA 3.33Å
47P96.2Very high97.4Very high49 Ų4965.7 Ų65.732%0.31834%0.344SS..SBendtrans-68.6-14174.2-21.133000114.7F43 P49 R76F43-P47 HydrophobicContact CD2-CB 4.39Å; F43-P47 HydrophobicContact CE2-CB 4.01Å; F43-P47 HydrophobicContact CZ-CB 4.19Å; P47-P49 VanDerWaalsContact C-CD 3.43Å; P47-R76 WeakPolarHBondContact O-CD 3.46Å; P47-R76 PolarHBondContact O-NH1 3.49Å
48Y97.4Very high97.4Very high166 Ų16662.6 Ų62.665%0.65133%0.332SS*.SBendtrans-126.953.1-174.5-65.5-85.8000112.6D46 G50 R76D46-Y48 PolarHBondContact O-N 3.32Å; D46-Y48 WeakPolarHBondContact OD1-CA 3.5Å; D46-Y48 PolarHBondContact OD1-N 3.13Å; Y48-G50 PolarHBondContact O-N 3.29Å; Y48-R76 VanDerWaalsContact CZ-CD 3.41Å
49P96.6Very high97.5Very high4 Ų467.3 Ų67.33%0.02635%0.352CS..  trans-57.7129.1-172.527.7-38.1000112.2D46 P47 L53 R54 F72D46-P49 WeakPolarHBondContact O-CD 3.32Å; D46-P49 VanDerWaalsContact OD2-CA 3.29Å; D46-P49 WeakPolarHBondContact OD2-CA 3.33Å; P47-P49 VanDerWaalsContact C-CD 3.43Å; P49-L53 HydrophobicContact CB-CB 4.25Å; P49-L53 HydrophobicContact CB-CD2 3.73Å; P49-L53 HydrophobicContact CB-CG 4Å; P49-R54 HydrophobicContact CB-CG 3.95Å; P49-R54 HydrophobicContact CG-CG 3.83Å; P49-R54 PolarHBondContact O-NH1 2.74Å; P49-F72 VanDerWaalsContact CD-CD1 3.45Å; P49-F72 HydrophobicContact CG-CD1 3.57Å; P49-F72 HydrophobicContact CG-CD2 3.96Å; P49-F72 HydrophobicContact CG-CE1 3.54Å; P49-F72 HydrophobicContact CG-CE2 3.93Å; P49-F72 HydrophobicContact CG-CG 3.8Å; P49-F72 HydrophobicContact CG-CZ 3.75Å
50G97.7Very high97.4Very high42 Ų4271.4 Ų71.443%0.43338%0.377SS..  trans-61167.1173.400000113.1Y48 S52 L53 R54Y48-G50 PolarHBondContact O-N 3.29Å; G50-S52 PolarHBondContact O-N 3.02Å; G50-L53 PolarHBondContact O-N 3.33Å; G50-R54 WeakPolarHBondContact O-CG 3.34Å; G50-R54 PolarHBondContact O-N 3.04Å; G50-R54 VanDerWaalsContact O-N 3.13Å
51I97.5Very high97.4Very high84 Ų8467.5 Ų67.543%0.43136%0.363SS..Hα-helixtrans-54.4-50.3-174.7-177.360.4000112.3L53 R54 E55 E65I51-L53 VanDerWaalsContact C-N 3.3Å; I51-L53 PolarHBondContact O-N 3.07Å; I51-R54 CarbonylContact O-C 3.55Å; I51-R54 PolarHBondContact O-N 2.76Å; I51-E55 HydrophobicContact CD1-CG 4.19Å; I51-E55 HydrophobicContact CG1-CG 4.29Å; I51-E55 WeakPolarHBondContact O-CG 3.42Å; I51-E55 PolarHBondContact O-N 2.94Å; I51-E65 HydrophobicContact CD1-CG 4.01Å
52S97.9Very high97.3Very high85 Ų8567.6 Ų67.659%0.59438%0.377SS*.Hα-helixtrans-62.9-32.6-177-46.10000113.6G50 N56G50-S52 PolarHBondContact O-N 3.02Å; S52-N56 PolarHBondContact O-N 2.95Å
53L97.6Very high97.3Very high65 Ų6567.9 Ų67.934%0.3438%0.378SS..Hα-helixtrans-71.7-39.9174.8-179.454.8000110.9T42 P49 G50 I51 E55 N56 L57T42-L53 HydrophobicContact CG2-CD1 4.42Å; T42-L53 HydrophobicContact CG2-CD2 4.03Å; T42-L53 HydrophobicContact CG2-CG 4.34Å; P49-L53 HydrophobicContact CB-CB 4.25Å; P49-L53 HydrophobicContact CB-CD2 3.73Å; P49-L53 HydrophobicContact CB-CG 4Å; G50-L53 PolarHBondContact O-N 3.33Å; I51-L53 VanDerWaalsContact C-N 3.3Å; I51-L53 PolarHBondContact O-N 3.07Å; L53-E55 VanDerWaalsContact C-N 3.33Å; L53-N56 PolarHBondContact O-N 3.08Å; L53-L57 VanDerWaalsContact O-CG 3.32Å; L53-L57 WeakPolarHBondContact O-CG 3.41Å; L53-L57 PolarHBondContact O-N 3.39Å
54R98.3Very high97.2Very high41 Ų4170.3 Ų70.316%0.15540%0.396CS..Hα-helixtrans-67.9-32.7173.9-59.1-167.7-48.7-91.61.4112.5P49 G50 I51 S58 E65 I68P49-R54 HydrophobicContact CB-CG 3.95Å; P49-R54 HydrophobicContact CG-CG 3.83Å; P49-R54 PolarHBondContact O-NH1 2.74Å; G50-R54 WeakPolarHBondContact O-CG 3.34Å; G50-R54 PolarHBondContact O-N 3.04Å; G50-R54 VanDerWaalsContact O-N 3.13Å; I51-R54 CarbonylContact O-C 3.55Å; I51-R54 PolarHBondContact O-N 2.76Å; R54-S58 WeakPolarHBondContact O-CB 3.48Å; R54-S58 PolarHBondContact O-N 3.2Å; R54-E65 HydrophobicContact CB-CG 3.98Å; R54-E65 IonicContact CZ-OE1 3.16Å; R54-E65 IonicContact NE-OE1 2.74Å; R54-E65 PolarHBondContact NE-OE1 2.72Å; R54-E65 IonicContact NH2-OE1 2.72Å; R54-E65 PolarHBondContact NH2-OE1 2.84Å; R54-I68 HydrophobicContact CB-CG2 4.25Å; R54-I68 HydrophobicContact CG-CG2 4.3Å
55E98.4Very high97.3Very high95 Ų9565.7 Ų65.744%0.44438%0.375SS..Hα-helixtrans-67.7-43172.2-71.4174.1146.400111.7I51 L53 L57 S58 Q59 E65I51-E55 HydrophobicContact CD1-CG 4.19Å; I51-E55 HydrophobicContact CG1-CG 4.29Å; I51-E55 WeakPolarHBondContact O-CG 3.42Å; I51-E55 PolarHBondContact O-N 2.94Å; L53-E55 VanDerWaalsContact C-N 3.33Å; E55-L57 PolarHBondContact O-N 2.95Å; E55-S58 WeakPolarHBondContact O-CA 3.46Å; E55-S58 WeakPolarHBondContact O-CB 3.26Å; E55-S58 PolarHBondContact O-N 2.74Å; E55-Q59 WeakPolarHBondContact O-CG 3.34Å; E55-Q59 PolarHBondContact O-N 2.86Å; E55-E65 HydrophobicContact CG-CG 4.28Å
56N98.1Very high97.3Very high96 Ų9663.2 Ų63.251%0.51336%0.362SS..Hα-helixtrans-60.3-46.5173.7-177.8-89.9000111.7S52 L53 S58 Q59 T60S52-N56 PolarHBondContact O-N 2.95Å; L53-N56 PolarHBondContact O-N 3.08Å; N56-S58 PolarHBondContact O-N 2.85Å; N56-Q59 PolarHBondContact O-N 3.43Å; N56-T60 PolarHBondContact O-N 3.06Å; N56-T60 PolarHBondContact O-OG1 3.15Å
57L97.9Very high97.3Very high4 Ų463.9 Ų63.92%0.02136%0.36CS..Hα-helixtrans-60.5-32.4172.4-68.4169.9000112.5L38 L39 T42 L53 E55 T60 T61 I68 F72L38-L57 HydrophobicContact CD1-CD2 4.32Å; L38-L57 HydrophobicContact CD2-CD2 3.95Å; L38-L57 HydrophobicContact CG-CD2 3.82Å; L39-L57 HydrophobicContact CD2-CD1 4.08Å; T42-L57 HydrophobicContact CG2-CD1 4.1Å; L53-L57 VanDerWaalsContact O-CG 3.32Å; L53-L57 WeakPolarHBondContact O-CG 3.41Å; L53-L57 PolarHBondContact O-N 3.39Å; E55-L57 PolarHBondContact O-N 2.95Å; L57-T60 PolarHBondContact O-N 3.5Å; L57-T61 WeakPolarHBondContact O-CB 3.43Å; L57-T61 WeakPolarHBondContact O-CG2 3.35Å; L57-T61 PolarHBondContact O-N 3.38Å; L57-T61 PolarHBondContact O-OG1 2.93Å; L57-I68 VanDerWaalsContact C-CD1 3.47Å; L57-I68 HydrophobicContact CB-CD1 3.82Å; L57-I68 HydrophobicContact CB-CG2 4.42Å; L57-I68 HydrophobicContact CD1-CG2 4.16Å; L57-F72 HydrophobicContact CD1-CE2 4Å; L57-F72 HydrophobicContact CD1-CZ 4.27Å
58S98Very high97.4Very high18 Ų1861.6 Ų61.613%0.12635%0.345CS..Hα-helixtrans-65.2-44.6176.8-174.40000111.4R54 E55 N56 G62 L63 E65 I68R54-S58 WeakPolarHBondContact O-CB 3.48Å; R54-S58 PolarHBondContact O-N 3.2Å; E55-S58 WeakPolarHBondContact O-CA 3.46Å; E55-S58 WeakPolarHBondContact O-CB 3.26Å; E55-S58 PolarHBondContact O-N 2.74Å; N56-S58 PolarHBondContact O-N 2.85Å; S58-G62 WeakPolarHBondContact O-CA 3.35Å; S58-G62 PolarHBondContact O-N 3.09Å; S58-L63 VanDerWaalsContact CA-O 3.27Å; S58-L63 WeakPolarHBondContact CA-O 3.29Å; S58-L63 VanDerWaalsContact CB-O 3.3Å; S58-L63 WeakPolarHBondContact CB-O 3.23Å; S58-L63 PolarHBondContact O-N 3.19Å; S58-L63 PolarHBondContact OG-O 3.29Å; S58-E65 PolarHBondContact OG-N 3Å; S58-E65 VanDerWaalsContact OG-N 3.15Å; S58-I68 VanDerWaalsContact CA-CD1 3.42Å; S58-I68 VanDerWaalsContact N-CD1 3.3Å
59Q98Very high97.4Very high159 Ų15957.1 Ų57.174%0.74333%0.33SS*.Hα-helixtrans-64.3-47.7173.4-58-55.3-27.700111.4E55 N56 T61 G62E55-Q59 WeakPolarHBondContact O-CG 3.34Å; E55-Q59 PolarHBondContact O-N 2.86Å; N56-Q59 PolarHBondContact O-N 3.43Å; Q59-T61 PolarHBondContact O-N 3.49Å; Q59-G62 PolarHBondContact O-N 2.75Å
60T96.9Very high97.5Very high87 Ų8760 Ų6053%0.53435%0.348SS..Hα-helixtrans-65.1-34.7-176.6-550000113.3L38 N56 L57L38-T60 HydrophobicContact CD2-CG2 3.58Å; N56-T60 PolarHBondContact O-N 3.06Å; N56-T60 PolarHBondContact O-OG1 3.15Å; L57-T60 PolarHBondContact O-N 3.5Å
61T96.1Very high97.5Very high8 Ų859.5 Ų59.55%0.04933%0.333CS..Hα-helixtrans-97.4-7.8-179.361.30000114.3H35 L38 L57 Q59 L63H35-T61 HydrophobicContact CB-CG2 3.98Å; H35-T61 PolarHBondContact CE1-O 3.23Å; L38-T61 HydrophobicContact CD2-CG2 4.02Å; L57-T61 WeakPolarHBondContact O-CB 3.43Å; L57-T61 WeakPolarHBondContact O-CG2 3.35Å; L57-T61 PolarHBondContact O-N 3.38Å; L57-T61 PolarHBondContact O-OG1 2.93Å; Q59-T61 PolarHBondContact O-N 3.49Å; T61-L63 PolarHBondContact O-N 3.04Å; T61-L63 VanDerWaalsContact O-N 3.15Å; T61-L63 PolarHBondContact OG1-N 3.36Å
62G96.6Very high97.5Very high67 Ų6755.6 Ų55.669%0.69131%0.313SS*.THydrogen-bonded Turntrans62.312.5-17100000114.6S58 Q59S58-G62 WeakPolarHBondContact O-CA 3.35Å; S58-G62 PolarHBondContact O-N 3.09Å; Q59-G62 PolarHBondContact O-N 2.75Å
63L96.3Very high97.5Very high23 Ų2355.6 Ų55.612%0.1230%0.304CS..SBendtrans-99.2141.3-179-62.9176.9000110.3F31 S58 T61 E65F31-L63 HydrophobicContact CD1-CD1 3.32Å; F31-L63 HydrophobicContact CE1-CD1 3.46Å; F31-L63 VanDerWaalsContact CE1-CD1 3.46Å; F31-L63 HydrophobicContact CG-CD1 4.18Å; F31-L63 HydrophobicContact CZ-CD1 4.39Å; S58-L63 VanDerWaalsContact CA-O 3.27Å; S58-L63 WeakPolarHBondContact CA-O 3.29Å; S58-L63 VanDerWaalsContact CB-O 3.3Å; S58-L63 WeakPolarHBondContact CB-O 3.23Å; S58-L63 PolarHBondContact O-N 3.19Å; S58-L63 PolarHBondContact OG-O 3.29Å; T61-L63 PolarHBondContact O-N 3.04Å; T61-L63 VanDerWaalsContact O-N 3.15Å; T61-L63 PolarHBondContact OG1-N 3.36Å; L63-E65 PolarHBondContact O-N 3.03Å
64P96.9Very high97.4Very high72 Ų7256.2 Ų56.247%0.46831%0.307SS..  trans-58.1138.3177.1-23.432.4000112.5S66 R67 I68P64-S66 PolarHBondContact O-N 2.77Å; P64-S66 VanDerWaalsContact O-N 3.1Å; P64-R67 HydrophobicContact CB-CG 4.19Å; P64-R67 HydrophobicContact CG-CG 4.3Å; P64-R67 WeakPolarHBondContact O-CA 3.11Å; P64-R67 VanDerWaalsContact O-CB 3.28Å; P64-R67 WeakPolarHBondContact O-CB 3.37Å; P64-R67 PolarHBondContact O-N 3.29Å; P64-I68 PolarHBondContact O-N 2.94Å
65E97.6Very high97.3Very high44 Ų4458.2 Ų58.221%0.20632%0.315CS..Hα-helixtrans-44-46.1177.2-179.7-76.4155.500112.5I51 R54 E55 S58 L63 R67 I68 Q69I51-E65 HydrophobicContact CD1-CG 4.01Å; R54-E65 HydrophobicContact CB-CG 3.98Å; R54-E65 IonicContact CZ-OE1 3.16Å; R54-E65 IonicContact NE-OE1 2.74Å; R54-E65 PolarHBondContact NE-OE1 2.72Å; R54-E65 IonicContact NH2-OE1 2.72Å; R54-E65 PolarHBondContact NH2-OE1 2.84Å; E55-E65 HydrophobicContact CG-CG 4.28Å; S58-E65 PolarHBondContact OG-N 3Å; S58-E65 VanDerWaalsContact OG-N 3.15Å; L63-E65 PolarHBondContact O-N 3.03Å; E65-R67 PolarHBondContact O-N 3.11Å; E65-R67 VanDerWaalsContact O-N 3.08Å; E65-I68 CarbonylContact O-C 3.59Å; E65-I68 WeakPolarHBondContact O-CA 3.46Å; E65-I68 WeakPolarHBondContact O-CB 3.38Å; E65-I68 PolarHBondContact O-N 3.09Å; E65-Q69 PolarHBondContact O-N 2.98Å
66S96.9Very high97.3Very high63 Ų6356.7 Ų56.744%0.44131%0.305SS..Hα-helixtrans-56.5-28.9178.460.30000114.4P64 V70P64-S66 PolarHBondContact O-N 2.77Å; P64-S66 VanDerWaalsContact O-N 3.1Å; S66-V70 WeakPolarHBondContact O-CB 3.26Å; S66-V70 VanDerWaalsContact O-CG2 3.26Å; S66-V70 WeakPolarHBondContact O-CG2 3.35Å; S66-V70 PolarHBondContact O-N 3.29Å
67R97.3Very high97.1Very high70 Ų7053.8 Ų53.826%0.26429%0.294SS..Hα-helixtrans-78-34.2177.4-60-66.8-167.1152.27.1111.4K27 T29 P64 E65 W71K27-R67 PolarHBondContact O-NH2 3.43Å; T29-R67 HydrophobicContact CG2-CG 3.91Å; T29-R67 PolarHBondContact OG1-NH1 3.02Å; P64-R67 HydrophobicContact CB-CG 4.19Å; P64-R67 HydrophobicContact CG-CG 4.3Å; P64-R67 WeakPolarHBondContact O-CA 3.11Å; P64-R67 VanDerWaalsContact O-CB 3.28Å; P64-R67 WeakPolarHBondContact O-CB 3.37Å; P64-R67 PolarHBondContact O-N 3.29Å; E65-R67 PolarHBondContact O-N 3.11Å; E65-R67 VanDerWaalsContact O-N 3.08Å; R67-W71 WeakPolarHBondContact O-CB 3.46Å; R67-W71 PolarHBondContact O-N 2.96Å
68I97.6Very high96.8Very high0 Ų060.8 Ų60.80%032%0.32CS..Hα-helixtrans-68.1-47.9171.5-64.8167.1000109.2L39 R54 L57 S58 P64 E65 V70 W71 F72L39-I68 HydrophobicContact CD2-CG1 4.34Å; L39-I68 HydrophobicContact CD2-CG2 3.84Å; R54-I68 HydrophobicContact CB-CG2 4.25Å; R54-I68 HydrophobicContact CG-CG2 4.3Å; L57-I68 VanDerWaalsContact C-CD1 3.47Å; L57-I68 HydrophobicContact CB-CD1 3.82Å; L57-I68 HydrophobicContact CB-CG2 4.42Å; L57-I68 HydrophobicContact CD1-CG2 4.16Å; S58-I68 VanDerWaalsContact CA-CD1 3.42Å; S58-I68 VanDerWaalsContact N-CD1 3.3Å; P64-I68 PolarHBondContact O-N 2.94Å; E65-I68 CarbonylContact O-C 3.59Å; E65-I68 WeakPolarHBondContact O-CA 3.46Å; E65-I68 WeakPolarHBondContact O-CB 3.38Å; E65-I68 PolarHBondContact O-N 3.09Å; I68-V70 VanDerWaalsContact C-N 3.34Å; I68-V70 PolarHBondContact O-N 3.48Å; I68-W71 WeakPolarHBondContact O-CA 3.36Å; I68-W71 WeakPolarHBondContact O-CB 3.35Å; I68-W71 PolarHBondContact O-N 3.26Å; I68-F72 HydrophobicContact CG2-CD2 3.75Å; I68-F72 HydrophobicContact CG2-CE2 3.75Å; I68-F72 WeakPolarHBondContact O-CD2 3.33Å; I68-F72 PolarHBondContact O-N 3.33Å
69Q97.9Very high96.3Very high72 Ų7262.2 Ų62.234%0.33633%0.328SS..Hα-helixtrans-52.5-50.2173.6-176.5-172.2-47.100111.9E65 W71 F72 Q73E65-Q69 PolarHBondContact O-N 2.98Å; Q69-W71 VanDerWaalsContact C-N 3.31Å; Q69-W71 PolarHBondContact O-N 3.15Å; Q69-F72 PolarHBondContact O-N 2.95Å; Q69-Q73 WeakPolarHBondContact O-CG 3.44Å; Q69-Q73 PolarHBondContact O-N 2.98Å
70V97.5Very high95.6Very high66 Ų6659.7 Ų59.740%0.432%0.319SS..Hα-helixtrans-64.9-33.6177.6168.90000111.9S66 I68 N74S66-V70 WeakPolarHBondContact O-CB 3.26Å; S66-V70 VanDerWaalsContact O-CG2 3.26Å; S66-V70 WeakPolarHBondContact O-CG2 3.35Å; S66-V70 PolarHBondContact O-N 3.29Å; I68-V70 VanDerWaalsContact C-N 3.34Å; I68-V70 PolarHBondContact O-N 3.48Å; V70-N74 VanDerWaalsContact CG1-ND2 3.32Å; V70-N74 WeakPolarHBondContact CG1-ND2 3.37Å; V70-N74 WeakPolarHBondContact O-CB 3.4Å; V70-N74 VanDerWaalsContact O-CG 3.29Å; V70-N74 PolarHBondContact O-N 3.38Å; V70-N74 PolarHBondContact O-ND2 2.92Å
71W97.4Very high94.5Very high30 Ų3061.9 Ų61.911%0.11432%0.321CS..Hα-helixtrans-63.2-49.7173.3-172.9105.3000111.2F31 V36 L39 R40 F43 R67 I68 Q69 Q73 N74 R75F31-W71 HydrophobicContact CE1-CB 4.3Å; F31-W71 AromaticContact CE1-CD1 3.79Å; F31-W71 HydrophobicContact CE1-CG 4.29Å; F31-W71 HydrophobicContact CZ-CB 4.09Å; F31-W71 AromaticContact CZ-CD1 3.77Å; F31-W71 HydrophobicContact CZ-CG 4.3Å; V36-W71 HydrophobicContact CG1-CZ2 4.49Å; L39-W71 HydrophobicContact CB-CD2 4.11Å; L39-W71 HydrophobicContact CB-CE3 3.98Å; L39-W71 HydrophobicContact CB-CH2 3.67Å; L39-W71 HydrophobicContact CB-CZ2 3.75Å; L39-W71 HydrophobicContact CB-CZ3 3.78Å; L39-W71 HydrophobicContact CD1-CD2 4.02Å; L39-W71 HydrophobicContact CD1-CG 4.06Å; L39-W71 WeakPolarHBondContact O-CH2 3.32Å; L39-W71 WeakPolarHBondContact O-CZ3 3.3Å; R40-W71 HydrophobicContact CG-CH2 4.28Å; R40-W71 HydrophobicContact CG-CZ2 4.37Å; F43-W71 HydrophobicContact CB-CH2 4.49Å; F43-W71 HydrophobicContact CB-CZ3 4.2Å; F43-W71 HydrophobicContact CD2-CZ3 4.43Å; R67-W71 WeakPolarHBondContact O-CB 3.46Å; R67-W71 PolarHBondContact O-N 2.96Å; I68-W71 WeakPolarHBondContact O-CA 3.36Å; I68-W71 WeakPolarHBondContact O-CB 3.35Å; I68-W71 PolarHBondContact O-N 3.26Å; Q69-W71 VanDerWaalsContact C-N 3.31Å; Q69-W71 PolarHBondContact O-N 3.15Å; W71-Q73 PolarHBondContact O-N 3.31Å; W71-N74 CarbonylContact O-C 3.56Å; W71-N74 PolarHBondContact O-N 3.02Å; W71-R75 HydrophobicContact CE3-CB 4.15Å; W71-R75 HydrophobicContact CH2-CB 4.31Å; W71-R75 HydrophobicContact CH2-CG 3.99Å; W71-R75 HydrophobicContact CZ3-CB 3.92Å; W71-R75 HydrophobicContact CZ3-CG 3.96Å; W71-R75 WeakPolarHBondContact O-CB 3.34Å; W71-R75 PolarHBondContact O-N 2.99Å
72F98.1Very high93.2Very high2 Ų265.3 Ų65.31%0.00935%0.345CS..Hα-helixtrans-62.3-43.1178.7-87.9-90.4000112.3L39 T42 F43 P49 L57 I68 Q69 N74 R75 R76L39-F72 HydrophobicContact CD2-CD2 4.46Å; L39-F72 HydrophobicContact CD2-CE2 3.67Å; L39-F72 HydrophobicContact CD2-CZ 4.43Å; T42-F72 HydrophobicContact CG2-CZ 4.28Å; F43-F72 HydrophobicContact CB-CE1 3.83Å; F43-F72 HydrophobicContact CB-CZ 4.47Å; F43-F72 AromaticContact CD2-CD1 3.75Å; F43-F72 HydrophobicContact CD2-CD1 3.75Å; F43-F72 AromaticContact CD2-CE1 3.9Å; F43-F72 HydrophobicContact CD2-CE1 3.9Å; F43-F72 HydrophobicContact CG-CE1 4.38Å; P49-F72 VanDerWaalsContact CD-CD1 3.45Å; P49-F72 HydrophobicContact CG-CD1 3.57Å; P49-F72 HydrophobicContact CG-CD2 3.96Å; P49-F72 HydrophobicContact CG-CE1 3.54Å; P49-F72 HydrophobicContact CG-CE2 3.93Å; P49-F72 HydrophobicContact CG-CG 3.8Å; P49-F72 HydrophobicContact CG-CZ 3.75Å; L57-F72 HydrophobicContact CD1-CE2 4Å; L57-F72 HydrophobicContact CD1-CZ 4.27Å; I68-F72 HydrophobicContact CG2-CD2 3.75Å; I68-F72 HydrophobicContact CG2-CE2 3.75Å; I68-F72 WeakPolarHBondContact O-CD2 3.33Å; I68-F72 PolarHBondContact O-N 3.33Å; Q69-F72 PolarHBondContact O-N 2.95Å; F72-N74 PolarHBondContact O-N 3.43Å; F72-R75 PolarHBondContact O-N 2.86Å; F72-R76 PolarHBondContact O-N 3.01Å
73Q97.7Very high91.8Very high86 Ų8668.6 Ų68.640%0.40234%0.34SS..Hα-helixtrans-57.2-49.2172.6-72.6178.2-1.200111.4Q69 W71 R75 R76 A77Q69-Q73 WeakPolarHBondContact O-CG 3.44Å; Q69-Q73 PolarHBondContact O-N 2.98Å; W71-Q73 PolarHBondContact O-N 3.31Å; Q73-R75 VanDerWaalsContact C-N 3.32Å; Q73-R75 PolarHBondContact O-N 3.45Å; Q73-R76 PolarHBondContact O-N 2.99Å; Q73-A77 WeakPolarHBondContact O-CB 3.36Å; Q73-A77 PolarHBondContact O-N 3.11Å
74N96.8Very high90Very high78 Ų7871.6 Ų71.642%0.41736%0.356SS..Hα-helixtrans-67.6-28178.4-75.9-48.4000113.6V70 W71 F72 R78V70-N74 VanDerWaalsContact CG1-ND2 3.32Å; V70-N74 WeakPolarHBondContact CG1-ND2 3.37Å; V70-N74 WeakPolarHBondContact O-CB 3.4Å; V70-N74 VanDerWaalsContact O-CG 3.29Å; V70-N74 PolarHBondContact O-N 3.38Å; V70-N74 PolarHBondContact O-ND2 2.92Å; W71-N74 CarbonylContact O-C 3.56Å; W71-N74 PolarHBondContact O-N 3.02Å; F72-N74 PolarHBondContact O-N 3.43Å; N74-R78 PolarHBondContact O-N 3.3Å; N74-R78 PolarHBondContact O-NE 3.31Å
75R96.3Very high88.2Confident83 Ų8371.5 Ų71.531%0.31336%0.362SS..Hα-helixtrans-69.7-55.4174.3-172.167.1172.3169.8-2.5109.8F43 W71 F72 Q73 A77 R78 T79F43-R75 HydrophobicContact CD1-CG 4.01Å; F43-R75 HydrophobicContact CD2-CB 4.06Å; F43-R75 HydrophobicContact CD2-CG 3.56Å; F43-R75 HydrophobicContact CE1-CG 3.92Å; F43-R75 HydrophobicContact CE2-CB 3.85Å; F43-R75 HydrophobicContact CE2-CG 3.45Å; F43-R75 VanDerWaalsContact CE2-CG 3.45Å; F43-R75 HydrophobicContact CG-CG 3.85Å; F43-R75 HydrophobicContact CZ-CB 4.4Å; F43-R75 HydrophobicContact CZ-CG 3.65Å; W71-R75 HydrophobicContact CE3-CB 4.15Å; W71-R75 HydrophobicContact CH2-CB 4.31Å; W71-R75 HydrophobicContact CH2-CG 3.99Å; W71-R75 HydrophobicContact CZ3-CB 3.92Å; W71-R75 HydrophobicContact CZ3-CG 3.96Å; W71-R75 WeakPolarHBondContact O-CB 3.34Å; W71-R75 PolarHBondContact O-N 2.99Å; F72-R75 PolarHBondContact O-N 2.86Å; Q73-R75 VanDerWaalsContact C-N 3.32Å; Q73-R75 PolarHBondContact O-N 3.45Å; R75-A77 VanDerWaalsContact C-N 3.3Å; R75-A77 PolarHBondContact O-N 2.96Å; R75-R78 PolarHBondContact O-N 2.67Å; R75-T79 PolarHBondContact O-N 3.49Å; R75-T79 PolarHBondContact O-OG1 3.41Å
76R96.4Very high86.4Confident63 Ų6380.5 Ų80.524%0.23839%0.394CS..Hα-helixtrans-54.4-44.9174.6-69.1-163.9-62.3-90.35.8112.5F43 P47 Y48 F72 Q73 R78 T79 L80F43-R76 HydrophobicContact CE2-CG 3.67Å; F43-R76 HydrophobicContact CZ-CG 4.19Å; P47-R76 WeakPolarHBondContact O-CD 3.46Å; P47-R76 PolarHBondContact O-NH1 3.49Å; Y48-R76 VanDerWaalsContact CZ-CD 3.41Å; F72-R76 PolarHBondContact O-N 3.01Å; Q73-R76 PolarHBondContact O-N 2.99Å; R76-R78 PolarHBondContact O-N 2.77Å; R76-T79 PolarHBondContact O-N 3.21Å; R76-L80 PolarHBondContact O-N 2.74Å
77A95.2Very high84.6Confident35 Ų3585.1 Ų85.129%0.28941%0.406SS..Hα-helixtrans-60.9-29.8-179.900000113Q73 R75 K81Q73-A77 WeakPolarHBondContact O-CB 3.36Å; Q73-A77 PolarHBondContact O-N 3.11Å; R75-A77 VanDerWaalsContact C-N 3.3Å; R75-A77 PolarHBondContact O-N 2.96Å; A77-K81 VanDerWaalsContact O-CD 3.26Å; A77-K81 WeakPolarHBondContact O-CD 3.2Å; A77-K81 WeakPolarHBondContact O-CE 3.21Å; A77-K81 PolarHBondContact O-NZ 2.96Å
78R90.9Very high82.5Confident151 Ų15185 Ų8557%0.5742%0.419SS*.Hα-helixtrans-79-46.3172.6-80.1174.5-83.5-143.47.1111.5N74 R75 R76 L80 K81 C82N74-R78 PolarHBondContact O-N 3.3Å; N74-R78 PolarHBondContact O-NE 3.31Å; R75-R78 PolarHBondContact O-N 2.67Å; R76-R78 PolarHBondContact O-N 2.77Å; R78-L80 VanDerWaalsContact C-N 3.26Å; R78-L80 PolarHBondContact O-N 3.2Å; R78-K81 PolarHBondContact O-N 3.25Å; R78-C82 PolarHBondContact O-N 3.34Å; R78-C82 PolarHBondContact O-SG 2.92Å; R78-C82 VanDerWaalsContact O-SG 3.36Å
79T87.4Confident80Confident48 Ų4889.9 Ų89.929%0.29445%0.452SS..Hα-helixtrans-55.7-39178.3-52.80000112.8R75 R76 K83R75-T79 PolarHBondContact O-N 3.49Å; R75-T79 PolarHBondContact O-OG1 3.41Å; R76-T79 PolarHBondContact O-N 3.21Å; T79-K83 HydrophobicContact CG2-CD 4.48Å; T79-K83 WeakPolarHBondContact O-CG 3.37Å; T79-K83 PolarHBondContact O-N 2.82Å; T79-K83 VanDerWaalsContact O-N 3.13Å
80L83.8Confident77.8Confident105 Ų10597.3 Ų97.355%0.5548%0.477SS..Hα-helixtrans-64.6-54176.1-17659.2000111.8R76 R78 C82 K83 D84R76-L80 PolarHBondContact O-N 2.74Å; R78-L80 VanDerWaalsContact C-N 3.26Å; R78-L80 PolarHBondContact O-N 3.2Å; L80-C82 VanDerWaalsContact C-N 3.27Å; L80-C82 PolarHBondContact O-N 3.48Å; L80-K83 WeakPolarHBondContact O-CB 3.19Å; L80-K83 PolarHBondContact O-N 3.17Å; L80-D84 PolarHBondContact O-N 2.9Å; L80-D84 VanDerWaalsContact O-N 3.07Å
81K72.9Confident75.8Confident133 Ų133102.2 Ų102.258%0.57850%0.5SS*.Hα-helixtrans-58.2-37.1178.8-90.992.479.4-178.60112.9A77 R78 D84 A85A77-K81 VanDerWaalsContact O-CD 3.26Å; A77-K81 WeakPolarHBondContact O-CD 3.2Å; A77-K81 WeakPolarHBondContact O-CE 3.21Å; A77-K81 PolarHBondContact O-NZ 2.96Å; R78-K81 PolarHBondContact O-N 3.25Å; K81-D84 PolarHBondContact O-N 3.27Å; K81-A85 VanDerWaalsContact O-CB 3.29Å; K81-A85 WeakPolarHBondContact O-CB 3.2Å; K81-A85 PolarHBondContact O-N 3.04Å
82C69.7Low73.4Confident81 Ų81106.1 Ų106.155%0.54753%0.531SS..Hα-helixtrans-69.1-30.9175.7-64.40000113.1R78 L80 R86R78-C82 PolarHBondContact O-N 3.34Å; R78-C82 PolarHBondContact O-SG 2.92Å; R78-C82 VanDerWaalsContact O-SG 3.36Å; L80-C82 VanDerWaalsContact C-N 3.27Å; L80-C82 PolarHBondContact O-N 3.48Å; C82-R86 PolarHBondContact O-N 3.18Å
83K66.3Low70.6Confident136 Ų136111 Ų11159%0.59157%0.565SS**Hα-helixtrans-71.9-35.2175.1-79179.2174.5-172.40112.3T79 L80 K87T79-K83 HydrophobicContact CG2-CD 4.48Å; T79-K83 WeakPolarHBondContact O-CG 3.37Å; T79-K83 PolarHBondContact O-N 2.82Å; T79-K83 VanDerWaalsContact O-N 3.13Å; L80-K83 WeakPolarHBondContact O-CB 3.19Å; L80-K83 PolarHBondContact O-N 3.17Å; K83-K87 WeakPolarHBondContact O-CG 3.32Å
84D59.8Low67.6Low85 Ų85112 Ų11246%0.45558%0.583SS.*Hα-helixtrans-80.9-35.3178.8-60.8-37.6000112.2L80 K81 R86 K87L80-D84 PolarHBondContact O-N 2.9Å; L80-D84 VanDerWaalsContact O-N 3.07Å; K81-D84 PolarHBondContact O-N 3.27Å; D84-R86 VanDerWaalsContact C-N 3.29Å; D84-R86 PolarHBondContact O-N 3.37Å; D84-K87 WeakPolarHBondContact O-CA 3.38Å; D84-K87 WeakPolarHBondContact O-CB 3.26Å; D84-K87 PolarHBondContact O-N 2.96Å
85A58.4Low65.5Low70 Ų70113.2 Ų113.258%0.57960%0.595SS**Hα-helixtrans-61.3-34.217500000113.2K81 K87K81-A85 VanDerWaalsContact O-CB 3.29Å; K81-A85 WeakPolarHBondContact O-CB 3.2Å; K81-A85 PolarHBondContact O-N 3.04Å; A85-K87 PolarHBondContact O-N 3.24Å
86R60.1Low62.9Low233 Ų233116.4 Ų116.488%0.87961%0.613SS**THydrogen-bonded Turntrans-72.4-5.4172.7-68.3-164.7-166.6-176.84.9114.1C82 D84C82-R86 PolarHBondContact O-N 3.18Å; D84-R86 VanDerWaalsContact C-N 3.29Å; D84-R86 PolarHBondContact O-N 3.37Å
87K58.9Low60.4Low161 Ų161120.6 Ų120.670%0.764%0.635SS**THydrogen-bonded Turntrans-110.115.6179.4-63.7179.4-179.5-174.20113.1K83 D84 A85 P89K83-K87 WeakPolarHBondContact O-CG 3.32Å; D84-K87 WeakPolarHBondContact O-CA 3.38Å; D84-K87 WeakPolarHBondContact O-CB 3.26Å; D84-K87 PolarHBondContact O-N 2.96Å; A85-K87 PolarHBondContact O-N 3.24Å; K87-P89 VanDerWaalsContact C-CD 3.49Å; K87-P89 VanDerWaalsContact O-CD 3.27Å; K87-P89 WeakPolarHBondContact O-CD 2.99Å
88A52.5Low57.8Low66 Ų66126 Ų12655%0.54566%0.659SS.*  trans-111.584.3172.300000111W90A88-W90 PolarHBondContact O-N 3.18Å
89P46.7Very low55.1Low104 Ų104123.3 Ų123.368%0.67567%0.669SS**THydrogen-bonded Turntrans-62.5-1.7179-25.335.3000116.5K87K87-P89 VanDerWaalsContact C-CD 3.49Å; K87-P89 VanDerWaalsContact O-CD 3.27Å; K87-P89 WeakPolarHBondContact O-CD 2.99Å
90W50.4Low53.2Low228 Ų228130.8 Ų130.886%0.86470%0.698SS**THydrogen-bonded Turntrans-102.71.9-161.2-64.5113000115.7A88A88-W90 PolarHBondContact O-N 3.18Å
91L55.1Low51.6Low169 Ų169131.6 Ų131.689%0.88571%0.709SS**SBendtrans-14044.3-176.6-67.7175.5000115.1
92S47.7Very low50.1Low111 Ų111130.8 Ų130.878%0.77672%0.72SS**  trans-174.5141.3152.5-127.10000107.7
93S40.4Very low49.7Very low104 Ų104132.5 Ų132.573%0.72773%0.73SS**  cis-155.6156.617.649.10000110.1
94S33.6Very low48.8Very low109 Ų109132.2 Ų132.276%0.76274%0.742SS**  trans-134106.7168.4-171.40000109.5
95P53.6Low48.2Very low103 Ų103133.9 Ų133.967%0.66976%0.76SS**  trans-108.1105.3-176.535-24.9000111.7
96H40.8Very low47.4Very low150 Ų150137.7 Ų137.769%0.69478%0.776SS**  trans-139.8104.3172.8-79.3-65.7000113.7
97H43.9Very low46.5Very low150 Ų150131.3 Ų131.369%0.69477%0.774SS**  trans65.7108.1143.1-53.4-56.9000121.4
98D41.9Very low45.3Very low149 Ų149127.4 Ų127.480%0.79778%0.779SS**  7.4128.4121.1-47.7-79.4000118.4
99A33.5Very low44.7Very low94 Ų94130.8 Ų130.878%0.77780%0.798SS**  168.5117.8109.600000111.7
100F47.6Very low44.1Very low206 Ų206128.9 Ų128.990%0.90480%0.798SS**  trans-75.2152.8153.4-79.5-87.6000109.4
101P49.3Very low43.6Very low122 Ų122123.9 Ų123.979%0.79280%0.798SS**  -133.7166.8115.635.8-26.6000115
102S43Very low42.9Very low116 Ų116121.4 Ų121.481%0.81179%0.794SS**  trans-72.2171.8-164.4-49.30000116.1
103P59.4Low42.7Very low117 Ų117120.5 Ų120.576%0.7679%0.794SS**  trans-95.7165.8-167.538.7-35.4000114.3
104P48.6Very low43Very low129 Ų129121.1 Ų121.184%0.83880%0.795SS**  trans-107.3134.4160.435.3-26.7000112.8
105S46.2Very low43.7Very low120 Ų120124.1 Ų124.184%0.83980%0.802SS**  trans-90.9132.9169.4-59.60000111.4
106V41.2Very low43.5Very low150 Ų150130.6 Ų130.691%0.90981%0.813SS**  trans-159.2155.5143.497.60000111.8
107A41.5Very low43.7Very low100 Ų100129.5 Ų129.583%0.82682%0.819SS**  trans-80.7159.6-173.600000114.2
108G34.2Very low43.9Very low79 Ų79130.8 Ų130.881%0.81483%0.83SS**  trans-176.7123.5169.500000113.1
109S40.3Very low44.1Very low136 Ų136126.7 Ų126.795%0.95182%0.823SS**  trans-82.8149171.8-177.40000110.7
110G34.2Very low45.4Very low65 Ų65128.4 Ų128.467%0.6783%0.827SS**  trans140.2109.3161.500000117.4
111S40.1Very low45.4Very low123 Ų123126.4 Ų126.486%0.8682%0.824SS**  trans18124.9143.5-580000122.8
112S40.8Very low45.3Very low116 Ų116125.5 Ų125.581%0.81182%0.819SS**  81.6111.1129.1-151.60000121.8
113A42.6Very low45.6Very low92 Ų92124.9 Ų124.976%0.7682%0.82SS**  trans67.5163.3148.600000118.5
114P47Very low44.9Very low117 Ų117129.4 Ų129.476%0.7682%0.824SS**  cis-120.7170.1-0.340.1-26.4000115.2
115L48.5Very low45.1Very low172 Ų172128.9 Ų128.990%0.90182%0.82SS**PPolyproline II helixtrans-66.2132.2169.7-67.8168.1000110.9
116R48.1Very low45.1Very low240 Ų240126.5 Ų126.591%0.90681%0.814SS**PPolyproline II helixtrans-75.8133.6170-81.9-179.7152.4-162.5-6.7110.5
117P45.1Very low45.6Very low126 Ų126125.3 Ų125.382%0.81881%0.81SS**PPolyproline II helixtrans-65.4136.1171.8-19.232000111.5G119P117-G119 PolarHBondContact O-N 3.16Å
118L49.5Very low45.9Very low177 Ų177127.7 Ų127.793%0.92781%0.814SS**  trans-70112.2165.3-78.6161.5000108.7
119G45.8Very low46.6Very low63 Ų63132.1 Ų132.165%0.64981%0.811SS**PPolyproline II helixtrans-68.9147.7170.900000111.4P117P117-G119 PolarHBondContact O-N 3.16Å
120P61.3Low47.1Very low131 Ų131133.2 Ų133.285%0.85181%0.805SS**PPolyproline II helixtrans-67.5145.1178.427.6-33000111.6
121L47.2Very low47.8Very low163 Ų163138.2 Ų138.285%0.85381%0.811SS**PPolyproline II helixtrans-60.7149176.4-69.7166.7000111.4A123L121-A123 PolarHBondContact O-N 3.03Å
122P46.5Very low48.1Very low104 Ų104140.1 Ų140.168%0.67581%0.808SS**PPolyproline II helixtrans-62.7128.4179.225.9-34000111Y124P122-Y124 PolarHBondContact O-N 3.05Å
123A48.5Very low48.5Very low103 Ų103139.6 Ų139.685%0.85180%0.797SS**  trans-69.1115.2177.800000110.6L121L121-A123 PolarHBondContact O-N 3.03Å
124Y46.4Very low48.6Very low212 Ų212139.8 Ų139.883%0.83178%0.784SS**PPolyproline II helixtrans-80.3135.6166.6-86.6-91.2000110.3P122P122-Y124 PolarHBondContact O-N 3.05Å
125P51.5Low48.8Very low118 Ų118137.1 Ų137.177%0.76677%0.772SS**PPolyproline II helixtrans-72140.517030.6-33.1000110.5
126G46.1Very low49Very low69 Ų69131.4 Ų131.471%0.71175%0.75SS**PPolyproline II helixtrans-68.8171.2164.800000111.8
127P51.6Low49.1Very low126 Ų126128.5 Ų128.582%0.81874%0.74SS**  cis-141.5111.736.435.5-14.3000115.4
128V47.8Very low49.5Very low150 Ų150131 Ų13191%0.90974%0.735SS**  trans-138.559.9164.8-77.70000110.9
129K49.1Very low49.9Very low172 Ų172127.3 Ų127.375%0.74872%0.724SS**  trans-140.453.6174.2-157.3-170.9176.8-173.50112.5
130L51.5Low49.9Very low158 Ų158132 Ų13283%0.82773%0.728SS**SBendtrans-129.3-23.1169.1-15377000113.2
131E48.2Very low49.3Very low170 Ų170133.2 Ų133.279%0.79472%0.722SS**SBendtrans-84.6-32.2-178.1-139.7178.5169.600113.4D133 N134 A135E131-D133 VanDerWaalsContact C-N 3.32Å; E131-D133 PolarHBondContact O-N 3.31Å; E131-N134 PolarHBondContact O-N 3.3Å; E131-N134 VanDerWaalsContact O-N 3.13Å; E131-A135 PolarHBondContact O-N 2.81Å
132M47.6Very low49.4Very low163 Ų163131 Ų13180%0.80372%0.718SS**Hα-helixtrans-66.5-30.7-176.3-153.471.8163.800113.4
133D48.4Very low49.5Very low106 Ų106132 Ų13257%0.56773%0.725SS**Hα-helixtrans-79.3-21.6175.8-80.7-81.8000112.7E131 A136E131-D133 VanDerWaalsContact C-N 3.32Å; E131-D133 PolarHBondContact O-N 3.31Å; D133-A136 PolarHBondContact O-N 3.48Å
134N45.5Very low49Very low95 Ų95131.3 Ų131.351%0.50872%0.719SS.*Hα-helixtrans-76.6-32.7179.5-155.710.8000111.9E131 A136 Y137E131-N134 PolarHBondContact O-N 3.3Å; E131-N134 VanDerWaalsContact O-N 3.13Å; N134-A136 VanDerWaalsContact C-N 3.34Å; N134-Y137 PolarHBondContact O-N 2.93Å
135A50.8Low48.7Very low61 Ų61132.7 Ų132.750%0.50472%0.724SS.*Hα-helixtrans-68.7-30.3173.500000113.1E131 Y137 S139E131-A135 PolarHBondContact O-N 2.81Å; A135-Y137 VanDerWaalsContact C-N 3.32Å; A135-S139 PolarHBondContact O-OG 3.42Å
136A52.3Low48.4Very low52 Ų52131.8 Ų131.843%0.4372%0.721SS.*Hα-helixtrans-68.2-32.3175.300000112.3D133 N134 S139D133-A136 PolarHBondContact O-N 3.48Å; N134-A136 VanDerWaalsContact C-N 3.34Å; A136-S139 PolarHBondContact O-N 2.93Å
137Y50.3Low48.5Very low179 Ų179134 Ų13470%0.70272%0.723SS**Hα-helixtrans-66.5-39.2-179.6-167.3-102.2000113.1N134 A135N134-Y137 PolarHBondContact O-N 2.93Å; A135-Y137 VanDerWaalsContact C-N 3.32Å
138Y53.5Low48.2Very low180 Ų180134.6 Ų134.671%0.70673%0.726SS**THydrogen-bonded Turntrans-83.1-6.9179.8-78.2-85.5000114.8
139S57.4Low47.8Very low99 Ų99130.7 Ų130.769%0.69272%0.717SS**THydrogen-bonded Turntrans-95.6-1.5-171-61.70000115.3A135 A136A135-S139 PolarHBondContact O-OG 3.42Å; A136-S139 PolarHBondContact O-N 2.93Å
140Q47Very low47.2Very low160 Ų160132 Ų13275%0.74873%0.726SS**SBendtrans-111.3-0.6-174.8-67-165.93100116
141H48.2Very low46.7Very low157 Ų157135.9 Ų135.973%0.72773%0.731SS**  trans-135.2113.9176-65.6-76000111.6
142P50Low46.3Very low118 Ų118131.4 Ų131.477%0.76673%0.73SS**  trans-66136.5157.729.7-31.8000108.2A144P142-A144 PolarHBondContact O-N 3.12Å
143P47.4Very low46Very low124 Ų124129.5 Ų129.581%0.80573%0.733SS**  trans-67.2109176.626.8-32.7000109.4Y145P143-Y145 PolarHBondContact O-N 3.11Å
144A39Very low46Very low89 Ų89130.7 Ų130.774%0.73674%0.738SS**  trans-66.5112.9169.500000108.8P142 S146P142-A144 PolarHBondContact O-N 3.12Å; A144-S146 PolarHBondContact O-N 2.55Å; A144-S146 VanDerWaalsContact O-N 3.15Å
145Y40.2Very low45.9Very low240 Ų240135.2 Ų135.294%0.94175%0.754SS**  trans-65.7109.6167.5-120.3-92.3000108.3P143P143-Y145 PolarHBondContact O-N 3.11Å
146S45.2Very low45.5Very low99 Ų99135.9 Ų135.969%0.69277%0.766SS**  trans-111.6134.7168.9-73.70000109.3A144A144-S146 PolarHBondContact O-N 2.55Å; A144-S146 VanDerWaalsContact O-N 3.15Å
147P47.4Very low45Very low116 Ų116141.7 Ų141.775%0.75379%0.789SS**  trans-72.8159.8-177.331.5-35.9000111.9G149P147-G149 PolarHBondContact O-N 3.49Å
148P45.7Very low44.9Very low138 Ų138141.5 Ų141.590%0.89680%0.795SS**  trans-72.6120.6179.229.8-33.6000110.7
149G39.1Very low43.9Very low68 Ų68138 Ų13870%0.70180%0.797SS**  trans-169.4110.1-17900000115.8P147P147-G149 PolarHBondContact O-N 3.49Å
150Q36.7Very low43Very low201 Ų201137.6 Ų137.694%0.93979%0.794SS**  trans79.3138.5151.9-60.1-178.4-4.200120.2
151Y41.2Very low42.4Very low239 Ų239137.6 Ų137.694%0.93779%0.793SS**  trans-80148.4-177.1-91.8-123.9000112.7
152G39.6Very low41.9Very low76 Ų76135.7 Ų135.778%0.78479%0.793SS**  trans93120.613600000118
153S41.4Very low41.7Very low122 Ų122139.7 Ų139.785%0.85380%0.799SS**  -172.9144.6117-168.80000110.4
154L47.8Very low41.1Very low131 Ų131142 Ų14269%0.68680%0.801SS**  trans-83174.8176-90.474.8000112.1
155F43.7Very low41.4Very low191 Ų191143.3 Ų143.384%0.83880%0.804SS**  trans85.1118.9161.8-49.8-70.3000116
156G42Very low41.4Very low74 Ų74137.2 Ų137.276%0.76380%0.797SS**  trans-101.7178.5172.800000112.2
157L42.3Very low42Very low174 Ų174137.8 Ų137.891%0.91180%0.798SS**  trans-147143.6157.9-148.478.5000111.4
158Q47.8Very low42.3Very low176 Ų176138 Ų13882%0.82280%0.8SS**  trans-68.4139167.6170.2-174.752.700110.7
159S33.5Very low42.7Very low106 Ų106139.4 Ų139.474%0.74180%0.796SS**  trans-168.5140.8141-860000112.2
160S37.6Very low43.5Very low90 Ų90148.3 Ų148.363%0.62981%0.809SS**  trans-67.4168.9161.745.80000110.8
161H34.7Very low44.2Very low160 Ų160141.6 Ų141.674%0.74179%0.793SS**  168.5147.7125.1-83.4-55.3000113.4
162T38.1Very low44.4Very low117 Ų117138 Ų13872%0.71879%0.787SS**  trans59.2116.3154.851.40000121.6
163K44.9Very low45.1Very low203 Ų203145.6 Ų145.688%0.88379%0.792SS**  trans-50.8132.2143.6-87175.3168.9174.70110.1
164M34.8Very low45.6Very low172 Ų172146 Ų14685%0.84779%0.792SS**  trans-134.8139.2151.4-82.1-62149.100110.2
165S45.5Very low45.7Very low117 Ų117148.3 Ų148.382%0.81880%0.8SS**  trans-84.1140.4178.9-177.10000110.3
166S40.1Very low45.7Very low111 Ų111145 Ų14578%0.77680%0.797SS**  trans-147144.3163.9-860000110.6
167P57.4Low45.9Very low112 Ų112144.9 Ų144.973%0.72780%0.796SS**  trans-83.7160.6-168.133.9-36.9000113.8M169P167-M169 PolarHBondContact O-N 2.98Å
168P54.8Low45.9Very low120 Ų120143.5 Ų143.578%0.77980%0.795SS**  trans-70129.1175.229-34000111.7W170P168-W170 VanDerWaalsContact C-N 3.29Å; P168-W170 PolarHBondContact O-N 3.17Å
169M53.8Low46Very low167 Ų167144.6 Ų144.682%0.82380%0.8SS**  trans-79.566.5-176.5-161.6-169.3-58.500112.2P167P167-M169 PolarHBondContact O-N 2.98Å
170W55.5Low46.2Very low255 Ų255144 Ų14497%0.96680%0.802SS**  trans-101.381.5170.6-96.441.7000110.3P168P168-W170 VanDerWaalsContact C-N 3.29Å; P168-W170 PolarHBondContact O-N 3.17Å
171G50.7Low47Very low60 Ų60145.9 Ų145.962%0.61982%0.815SS**  trans-171.646.7-17200000115.5
172M46.2Very low47.4Very low163 Ų163142.5 Ų142.580%0.80381%0.814SS**  trans-136.152.8174.5-134.78378.500112.5
173W54.5Low48.5Very low236 Ų236143.4 Ų143.489%0.89482%0.819SS**PPolyproline II helixtrans-101.9120.3165.6-6577.3000108.2Q175W173-Q175 PolarHBondContact O-N 3.41Å
174P52.1Low49.4Very low132 Ų132138.2 Ų138.286%0.85781%0.806SS**PPolyproline II helixtrans-69.8119.8178.8-17.931.3000111.3
175Q48.8Very low50.3Low179 Ų179133 Ų13384%0.83679%0.786SS**PPolyproline II helixtrans-74.8141.3164.6-74.3-91.35400109.5W173W173-Q175 PolarHBondContact O-N 3.41Å
176P45.8Very low50.8Low121 Ų121133.2 Ų133.279%0.78679%0.787SS**SBendtrans-81.6124.1-179.931.8-32.2000111
177G45.6Very low51Low72 Ų72137.8 Ų137.874%0.74279%0.787SS**  trans148.163.3163.200000118.8
178T40.8Very low50.4Low145 Ų145136.5 Ų136.589%0.8978%0.78SS**  trans-148.8141.7144.8-24.10000109.9
179Q51.6Low50.6Low198 Ų198139.9 Ų139.993%0.92578%0.783SS**  trans-70129.8175.9-66.8-178.949.300110.9
180A36.6Very low50.3Low94 Ų94137.7 Ų137.778%0.77778%0.781SS**  trans-140.5128.4157.500000107.8A182A180-A182 PolarHBondContact O-N 3.48Å
181S54.2Low50Low130 Ų130133.9 Ų133.991%0.90978%0.778SS**  trans-64.8122.6-178-174.40000110.6
182A44.1Very low50Low88 Ų88138.7 Ų138.773%0.72779%0.785SS**  trans-127.3120.8172.400000108.9A180A180-A182 PolarHBondContact O-N 3.48Å
183V59.9Low50Low136 Ų136139.6 Ų139.682%0.82479%0.789SS**PPolyproline II helixtrans-61130.2179.3179.10000109.5
184P65.7Low49.6Very low94 Ų94135.3 Ų135.361%0.6178%0.781SS**PPolyproline II helixtrans-69.8149.5179.728.6-34.6000111.5
185P52.9Low49Very low64 Ų64134.1 Ų134.142%0.41678%0.776SS.*PPolyproline II helixtrans-60.9147.2175.1-22.333.4000113W187 C188P185-W187 HydrophobicContact CB-CD2 3.76Å; P185-W187 HydrophobicContact CB-CE3 4.25Å; P185-W187 HydrophobicContact CB-CG 4.31Å; P185-W187 HydrophobicContact CB-CH2 3.98Å; P185-W187 HydrophobicContact CB-CZ2 3.44Å; P185-W187 VanDerWaalsContact CB-CZ2 3.44Å; P185-W187 HydrophobicContact CB-CZ3 4.35Å; P185-W187 HydrophobicContact CG-CH2 3.98Å; P185-W187 HydrophobicContact CG-CZ2 3.83Å; P185-W187 HydrophobicContact CG-CZ3 4.47Å; P185-W187 PolarHBondContact O-N 3.2Å; P185-C188 PolarHBondContact O-N 3.06Å; P185-C188 VanDerWaalsContact O-N 3.14Å
186S55.6Low48.5Very low120 Ų120135 Ų13584%0.83978%0.777SS**THydrogen-bonded Turntrans-64.82.3-172.253.90000116.6
187W44.7Very low48.3Very low207 Ų207135.5 Ų135.578%0.78478%0.778SS**THydrogen-bonded Turntrans-96.3-11.2177.313.3-72000113P185 K189P185-W187 HydrophobicContact CB-CD2 3.76Å; P185-W187 HydrophobicContact CB-CE3 4.25Å; P185-W187 HydrophobicContact CB-CG 4.31Å; P185-W187 HydrophobicContact CB-CH2 3.98Å; P185-W187 HydrophobicContact CB-CZ2 3.44Å; P185-W187 VanDerWaalsContact CB-CZ2 3.44Å; P185-W187 HydrophobicContact CB-CZ3 4.35Å; P185-W187 HydrophobicContact CG-CH2 3.98Å; P185-W187 HydrophobicContact CG-CZ2 3.83Å; P185-W187 HydrophobicContact CG-CZ3 4.47Å; P185-W187 PolarHBondContact O-N 3.2Å; W187-K189 PolarHBondContact O-N 3.41Å
188C45.1Very low48.1Very low86 Ų86138.2 Ų138.258%0.58178%0.781SS**  trans-84.489.7169.1-71.50000110.7P185P185-C188 PolarHBondContact O-N 3.06Å; P185-C188 VanDerWaalsContact O-N 3.14Å
189K57.6Low48.1Very low191 Ų191138.9 Ų138.983%0.8378%0.779SS**  trans-78.7123.3161.6-69.1-175.9179.2-179.30108.9W187 L191W187-K189 PolarHBondContact O-N 3.41Å; K189-L191 PolarHBondContact O-N 2.96Å
190P49.2Very low47.3Very low120 Ų120132.5 Ų132.578%0.77977%0.766SS**  trans-62.4133.6166.6-15.930.1000108.8E192P190-E192 PolarHBondContact O-N 3.07Å; P190-E192 VanDerWaalsContact O-N 3.17Å
191L49Very low47.7Very low175 Ų175133.1 Ų133.192%0.91677%0.765SS**  trans-74.4103.8169.2-168.675.1000107.3K189 M193K189-L191 PolarHBondContact O-N 2.96Å; L191-M193 PolarHBondContact O-N 3.23Å; L191-M193 VanDerWaalsContact O-N 3.12Å
192E49.9Very low46.8Very low162 Ų162133.9 Ų133.976%0.75776%0.759SS**  trans-53.7117172.5-78-97.7127.500109.2P190 M194P190-E192 PolarHBondContact O-N 3.07Å; P190-E192 VanDerWaalsContact O-N 3.17Å; E192-M194 VanDerWaalsContact C-N 3.3Å; E192-M194 PolarHBondContact O-N 3.25Å
193M47.2Very low46.6Very low182 Ų182135.8 Ų135.890%0.89776%0.761SS**  trans-80.282.1-178.8-165.1170.6-17300108.5L191 S195L191-M193 PolarHBondContact O-N 3.23Å; L191-M193 VanDerWaalsContact O-N 3.12Å; M193-S195 PolarHBondContact O-N 3.13Å
194M46.2Very low45.3Very low146 Ų146134.7 Ų134.772%0.71976%0.759SS**  trans-67.898.9-176-142.495.183.300110.5E192 F196E192-M194 VanDerWaalsContact C-N 3.3Å; E192-M194 PolarHBondContact O-N 3.25Å; M194-F196 WeakPolarHBondContact O-CD1 3.43Å; M194-F196 WeakPolarHBondContact O-CE1 3.4Å; M194-F196 PolarHBondContact O-N 3.36Å; M194-F196 VanDerWaalsContact O-N 3.08Å
195S38.1Very low43.9Very low106 Ų106140.8 Ų140.874%0.74177%0.772SS**  trans-67.4100.1175.8-62.50000110.9M193 T197M193-S195 PolarHBondContact O-N 3.13Å; S195-T197 PolarHBondContact O-N 3Å; S195-T197 VanDerWaalsContact O-N 3.13Å
196F38.9Very low44Very low197 Ų197142.3 Ų142.386%0.86478%0.782SS**  trans-75.199.4170.520.4-90.9000110.2M194M194-F196 WeakPolarHBondContact O-CD1 3.43Å; M194-F196 WeakPolarHBondContact O-CE1 3.4Å; M194-F196 PolarHBondContact O-N 3.36Å; M194-F196 VanDerWaalsContact O-N 3.08Å
197T41.5Very low43Very low132 Ų132144.3 Ų144.381%0.8178%0.778SS**  trans-82.9138.5163.844.30000110.4S195S195-T197 PolarHBondContact O-N 3Å; S195-T197 VanDerWaalsContact O-N 3.13Å
198T42.2Very low42.9Very low130 Ų130141.3 Ų141.380%0.79877%0.772SS**  trans-76.2122.2-179.4-560000111.7
199N39.4Very low42.8Very low159 Ų159144 Ų14485%0.8578%0.776SS**  trans176.9144.3132.6-97.4-18.4000114.3
200G35Very low41.7Very low64 Ų64141.4 Ų141.466%0.6677%0.769SS**  trans94.682.7132.300000121.6
201S44.4Very low41.1Very low107 Ų107143.8 Ų143.875%0.74876%0.764SS**  trans62.1145.1130.563.90000123.5
202N36.2Very low40.7Very low146 Ų146140.3 Ų140.378%0.78175%0.754SS**  trans77.8113.3169.5-57-54.8000115.8
203V39.5Very low39.8Very low127 Ų127139.1 Ų139.177%0.7776%0.758SS**  77.7100.658.3176.80000112.9
204S33.9Very low39.4Very low114 Ų114135.2 Ų135.280%0.79775%0.748SS**  168.7125.3123.9-88.10000113.2
205Y35Very low39Very low221 Ų221133.5 Ų133.587%0.86775%0.751SS**  trans-85.7171.3146.2-91.6-85.3000107.6
206P56.4Low39Very low96 Ų96133 Ų13362%0.62375%0.753SS**  cis-130.9-157.829.737.8-13.5000112.3
207E33.4Very low38.8Very low163 Ų163128.8 Ų128.876%0.76275%0.748SS**  cis-149.1-125.415-157.8125.570.400116.2
208Q42.9Very low38.7Very low143 Ų143127.4 Ų127.467%0.66874%0.744SS**  trans-138.1174.3-155.8-65.2169.7800113.9
209Q41.9Very low38.5Very low142 Ų142130.7 Ų130.766%0.66475%0.75SS**  trans79.5151.5156.8-29.8-165.13.600116.5
210M35.2Very low38.3Very low138 Ų138127.8 Ų127.868%0.6874%0.742SS**  cis-138.5-179.915.6-87.7-167.5172.300114.4
211Y36.6Very low38.6Very low169 Ų169130.5 Ų130.566%0.66375%0.751SS**  trans-93.1165.5-175.843.9-95.4000114.7
212S40.5Very low38.5Very low103 Ų103131.4 Ų131.472%0.7275%0.752SS**  trans68.6152.3165.3-50.70000116.2
213T31.8Very low39.4Very low136 Ų136130.3 Ų130.383%0.83475%0.753SS**  cis-152.8179.824-350000111.9
214S38.4Very low39.4Very low100 Ų100128.9 Ų128.970%0.69975%0.754SS**  trans-81162.4-160.5-450000119.8
215S38.3Very low40.3Very low111 Ų111129.5 Ų129.578%0.77675%0.754SS**  trans77119.8134.952.60000123.7
216A38.4Very low41.5Very low94 Ų94124.8 Ų124.878%0.77775%0.75SS**  trans64.9110.913200000121.5
217S33.8Very low40.9Very low109 Ų109127 Ų12776%0.76276%0.757SS**  156143.995.957.10000113.8
218S38.7Very low41.5Very low103 Ų103124.5 Ų124.572%0.7276%0.757SS**  trans47.9106.6150.9-55.50000120.7
219Q38.1Very low41.4Very low200 Ų200120.3 Ų120.394%0.93575%0.752SS**  -161.4138.4111-105.1150.7105.700112.8
220S36.5Very low41.4Very low97 Ų97121.9 Ų121.968%0.67876%0.757SS**  trans-88.1144.3176.6177.20000110.9
221S40.4Very low42.3Very low122 Ų122126.2 Ų126.285%0.85377%0.766SS**  trans-158.479.4162.1-80.70000110.4
222T42.8Very low42.4Very low126 Ų126123.1 Ų123.177%0.77376%0.761SS**  trans-94.1127.1166.547.90000110.8
223P54.4Low42.3Very low123 Ų123123 Ų12380%0.79976%0.76SS**  trans-93.1118.5160.631.9-27.7000111.9
224A40.3Very low42.6Very low96 Ų96121.9 Ų121.979%0.79376%0.757SS**  trans33112.1152.200000121.4
225T53.2Low42.8Very low127 Ų127124.6 Ų124.678%0.77976%0.762SS**  trans-72.7148.3149.7-230000110.4
226P59.4Low42.7Very low123 Ų123122.6 Ų122.680%0.79976%0.759SS**  -136.4154.3100.938.4-27.5000110.3
227D43.3Very low42.8Very low142 Ų142125.9 Ų125.976%0.75976%0.763SS**  cis-154.1143.329164.634.7000107.5
228S46.6Very low42.7Very low110 Ų110126 Ų12677%0.76977%0.765SS**  trans-160121.6170.1-80.60000110.4F230S228-F230 PolarHBondContact O-N 3.17Å
229G41Very low43.3Very low55 Ų55126.6 Ų126.657%0.56777%0.766SS**  trans-50.7122.3-177.100000113.6W231G229-W231 VanDerWaalsContact O-CD1 3.28Å; G229-W231 PolarHBondContact O-N 3.22Å; G229-W231 VanDerWaalsContact O-N 3.11Å
230F41.9Very low43.6Very low175 Ų175126.1 Ų126.177%0.76876%0.763SS**  trans-54.5101.4165.4-178-100.7000110.9S228 D232S228-F230 PolarHBondContact O-N 3.17Å; F230-D232 HydrophobicContact CD1-CB 4.12Å; F230-D232 HydrophobicContact CE1-CB 3.56Å; F230-D232 WeakPolarHBondContact CE1-OD2 3.37Å; F230-D232 HydrophobicContact CZ-CB 4.04Å; F230-D232 WeakPolarHBondContact CZ-OD2 3.45Å
231W53.6Low44Very low230 Ų230128.7 Ų128.787%0.87177%0.769SS**  trans-93.792.6163.6-55.6103.3000107.8G229 S233G229-W231 VanDerWaalsContact O-CD1 3.28Å; G229-W231 PolarHBondContact O-N 3.22Å; G229-W231 VanDerWaalsContact O-N 3.11Å; W231-S233 PolarHBondContact O-N 3.34Å; W231-S233 VanDerWaalsContact O-N 3.17Å
232D39.2Very low44.2Very low103 Ų103131.9 Ų131.955%0.55177%0.77SS**  trans-58.2119.6-178.7-155.9-36.1000110.5F230 C234F230-D232 HydrophobicContact CD1-CB 4.12Å; F230-D232 HydrophobicContact CE1-CB 3.56Å; F230-D232 WeakPolarHBondContact CE1-OD2 3.37Å; F230-D232 HydrophobicContact CZ-CB 4.04Å; F230-D232 WeakPolarHBondContact CZ-OD2 3.45Å; D232-C234 PolarHBondContact O-N 3.15Å
233S37.3Very low44.4Very low101 Ų101136.3 Ų136.371%0.70677%0.773SS**  trans-88.580.5175.7-68.10000108.9W231 I235W231-S233 PolarHBondContact O-N 3.34Å; W231-S233 VanDerWaalsContact O-N 3.17Å; S233-I235 VanDerWaalsContact C-N 3.26Å; S233-I235 PolarHBondContact O-N 3.02Å
234C40Very low43.8Very low113 Ų113139 Ų13976%0.76477%0.772SS**  trans-62.683.8171.5-70.80000111.3D232 G236D232-C234 PolarHBondContact O-N 3.15Å; C234-G236 VanDerWaalsContact C-N 3.28Å; C234-G236 PolarHBondContact O-N 3.16Å
235I42.3Very low44.1Very low157 Ų157146.6 Ų146.681%0.80578%0.78SS**  trans-73.688.1163.9-61.9179.1000107.5S233S233-I235 VanDerWaalsContact C-N 3.26Å; S233-I235 PolarHBondContact O-N 3.02Å
236G34.9Very low43.9Very low69 Ų69146.9 Ų146.971%0.71178%0.782SS**  trans-111.3111.9167.700000110C234 S238C234-G236 VanDerWaalsContact C-N 3.28Å; C234-G236 PolarHBondContact O-N 3.16Å; G236-S238 PolarHBondContact O-N 3.24Å
237N40.5Very low43.3Very low162 Ų162144.4 Ų144.487%0.86678%0.78SS**  trans-59.8125.5178.2-69.2-25.8000112.2
238S33.3Very low43.5Very low113 Ų113145.3 Ų145.379%0.7978%0.781SS**  trans-167.1138.9133.7-156.70000112G236G236-S238 PolarHBondContact O-N 3.24Å
239P49.4Very low43.6Very low114 Ų114147 Ų14774%0.7479%0.786SS**  trans-98.7125.3-178.235.3-29.8000112.8
240Q45.1Very low43.8Very low190 Ų190151.3 Ų151.389%0.88880%0.796SS**  trans179.5112.1151.2-106.4167.240.700110.7
241L44.9Very low44Very low152 Ų152151 Ų15180%0.79680%0.796SS**  trans-168.35.4147.7-108.2172.5000114.5R243L241-R243 VanDerWaalsContact C-N 3.3Å; L241-R243 PolarHBondContact O-N 2.92Å
242E45.3Very low43.8Very low189 Ų189143.7 Ų143.788%0.88379%0.786SS**  trans-71.177.9166.3-80-62.9158.300111.5
243R47.6Very low44.2Very low219 Ų219144.3 Ų144.383%0.82680%0.795SS**  trans-163.315.9171.4-121.1164.9-169.8179.32.2119.7L241L241-R243 VanDerWaalsContact C-N 3.3Å; L241-R243 PolarHBondContact O-N 2.92Å
244F40.3Very low44.7Very low178 Ų178146.7 Ų146.778%0.78180%0.799SS**SBendtrans-118.65.8-173.6-95.1-78.4000117.9
245W46.8Very low45.2Very low256 Ų256146.4 Ų146.497%0.9780%0.796SS**SBendtrans-121.220.7177.2-63.5109.3000115
246T50.1Low45.6Very low133 Ų133145.9 Ų145.982%0.81680%0.8SS**SBendtrans-115.294.6168.147.60000110.3
247G46Very low46.3Very low72 Ų72147.3 Ų147.374%0.74279%0.791SS**  trans140.581.9169.600000114.4
248M47.4Very low47.1Very low160 Ų160141.9 Ų141.979%0.78877%0.765SS**  trans-16165.3145.9-86.6-110.182.400108L250M248-L250 HydrophobicContact CE-CB 4.43Å; M248-L250 HydrophobicContact CE-CD1 3.98Å
249V49.7Very low48Very low146 Ų146142.8 Ų142.889%0.88576%0.761SS**  trans-89.497.6154.6175.60000105.7
250L44.5Very low48.3Very low146 Ų146144 Ų14476%0.76476%0.756SS**  trans-127.6111.9158.5-102.4168.1000107.2M248M248-L250 HydrophobicContact CE-CB 4.43Å; M248-L250 HydrophobicContact CE-CD1 3.98Å
251E45.9Very low48.8Very low167 Ų167139.8 Ų139.878%0.7874%0.737SS**  trans-66.1128.9179.1177.7-114.8131.600110
252A48.6Very low49.3Very low78 Ų78136.9 Ų136.965%0.64572%0.721SS**  trans-146.2124.4164.400000107.3L254A252-L254 PolarHBondContact O-N 3.47Å; A252-L254 VanDerWaalsContact O-N 3.16Å
253P47.5Very low49.6Very low116 Ų116133.6 Ų133.675%0.75371%0.709SS**  trans-71.8112.1-177.327.4-33.2000110.1
254L48.6Very low50Low150 Ų150129.9 Ų129.979%0.78570%0.701SS**  trans-67.6141.9169.8-64.2170.5000109.5A252 V256A252-L254 PolarHBondContact O-N 3.47Å; A252-L254 VanDerWaalsContact O-N 3.16Å; L254-V256 PolarHBondContact O-N 3.33Å
255P51.4Low50.6Low107 Ų107126.5 Ų126.570%0.69570%0.695SS**  trans-61.8125.1173.526.4-33.2000109.3L257P255-L257 VanDerWaalsContact C-N 3.26Å; P255-L257 PolarHBondContact O-N 3.49Å
256V49.1Very low50.9Low146 Ų146120.7 Ų120.789%0.88568%0.682SS**  trans-75.482.8175.3-173.70000108.2L254L254-V256 PolarHBondContact O-N 3.33Å
257L49.6Very low51.1Low100 Ų100119.1 Ų119.152%0.52467%0.668SS.*  trans-66.8130162.7-60.9-179.5000107.5P255 I262P255-L257 VanDerWaalsContact C-N 3.26Å; P255-L257 PolarHBondContact O-N 3.49Å; L257-I262 HydrophobicContact CB-CD1 4.49Å
258S57.5Low51.4Low48 Ų48121.5 Ų121.534%0.33666%0.66SS.*  trans-66149.3-176.9-169.40000110.6E260 E261 I262S258-E260 WeakPolarHBondContact CB-OE2 3.47Å; S258-E260 PolarHBondContact O-N 2.96Å; S258-E260 VanDerWaalsContact O-N 3.12Å; S258-E260 PolarHBondContact OG-N 3.28Å; S258-E260 PolarHBondContact OG-OE2 3.36Å; S258-E261 PolarHBondContact O-N 3.45Å; S258-E261 VanDerWaalsContact O-N 3.11Å; S258-I262 PolarHBondContact O-N 2.79Å
259L53.2Low51.3Low132 Ų132120.9 Ų120.969%0.69166%0.66SS**Hα-helixtrans-56.3-25.4171-96.2163.6000112.3L263L259-L263 WeakPolarHBondContact O-CB 3.48Å; L259-L263 WeakPolarHBondContact O-CD1 3.27Å; L259-L263 WeakPolarHBondContact O-CG 3.46Å; L259-L263 PolarHBondContact O-N 2.93Å
260E54.9Low51.5Low138 Ų138125.2 Ų125.265%0.64566%0.661SS**Hα-helixtrans-65.1-46.5175.3-67.2135.3163.800112S258 I262 L263 E264S258-E260 WeakPolarHBondContact CB-OE2 3.47Å; S258-E260 PolarHBondContact O-N 2.96Å; S258-E260 VanDerWaalsContact O-N 3.12Å; S258-E260 PolarHBondContact OG-N 3.28Å; S258-E260 PolarHBondContact OG-OE2 3.36Å; E260-I262 VanDerWaalsContact C-N 3.34Å; E260-I262 PolarHBondContact O-N 2.96Å; E260-L263 PolarHBondContact O-N 3.48Å; E260-L263 VanDerWaalsContact O-N 3.17Å; E260-E264 PolarHBondContact O-N 3.35Å
261E57Low51.8Low102 Ų102125.1 Ų125.148%0.47766%0.66SS.*Hα-helixtrans-66.6-35.3-178.3-168.117917600112.1S258 V265S258-E261 PolarHBondContact O-N 3.45Å; S258-E261 VanDerWaalsContact O-N 3.11Å; E261-V265 WeakPolarHBondContact O-CG2 3.29Å; E261-V265 PolarHBondContact O-N 3.5Å
262I53.6Low51.7Low91 Ų91126.3 Ų126.347%0.46767%0.666SS.*Hα-helixtrans-74.4-27.9176.9-61.2173.7000111.6L257 S258 E260L257-I262 HydrophobicContact CB-CD1 4.49Å; S258-I262 PolarHBondContact O-N 2.79Å; E260-I262 VanDerWaalsContact C-N 3.34Å; E260-I262 PolarHBondContact O-N 2.96Å
263L53Low51.5Low120 Ų120125.9 Ų125.963%0.62867%0.669SS**Hα-helixtrans-82.7-34.2178.1-75.6169.6000112.9L259 E260 N267L259-L263 WeakPolarHBondContact O-CB 3.48Å; L259-L263 WeakPolarHBondContact O-CD1 3.27Å; L259-L263 WeakPolarHBondContact O-CG 3.46Å; L259-L263 PolarHBondContact O-N 2.93Å; E260-L263 PolarHBondContact O-N 3.48Å; E260-L263 VanDerWaalsContact O-N 3.17Å; L263-N267 PolarHBondContact O-N 3.13Å
264E54.8Low51.4Low142 Ų142129.4 Ų129.466%0.66468%0.676SS**Hα-helixtrans-63.9-47.2174.8-74.7-174.8156.900111.9E260 L266 N267E260-E264 PolarHBondContact O-N 3.35Å; E264-L266 PolarHBondContact O-N 3.33Å; E264-N267 PolarHBondContact O-N 3.26Å
265V52.7Low51.3Low107 Ų107128.6 Ų128.665%0.64868%0.677SS**Hα-helixtrans-63.2-18.8-176.7173.20000113.7E261E261-V265 WeakPolarHBondContact O-CG2 3.29Å; E261-V265 PolarHBondContact O-N 3.5Å
266L53.7Low51.2Low134 Ų134131.1 Ų131.170%0.70268%0.684SS**Hα-helixtrans-107.3-3.2-179.5-70.6175.6000114.8E264E264-L266 PolarHBondContact O-N 3.33Å
267N53.5Low51Low99 Ų99132.4 Ų132.453%0.52969%0.686SS.*Hα-helixtrans-82.6-36178.6-169.171.6000112.8L263 E264L263-N267 PolarHBondContact O-N 3.13Å; E264-N267 PolarHBondContact O-N 3.26Å
268E52.5Low50.7Low123 Ų123135.4 Ų135.458%0.57570%0.702SS**THydrogen-bonded Turntrans-80-22.5-165.8-57.6-50.5107.800115
269N45.2Very low50.1Low147 Ų147138.3 Ų138.379%0.78672%0.723SS**THydrogen-bonded Turntrans-92.27-175.3-84.3115.5000116.2
270W55.3Low49.5Very low236 Ų236139.9 Ų139.989%0.89473%0.732SS**SBendtrans-124.12.3-179.5-98.588.6000115.7
271L49.3Very low49Very low145 Ų145140.8 Ų140.876%0.75974%0.741SS**SBendtrans-127.40.3-173.2-136.176000117.1G273L271-G273 VanDerWaalsContact C-N 3.27Å; L271-G273 PolarHBondContact O-N 3.28Å
272E44.4Very low48.2Very low191 Ų191143.6 Ų143.689%0.89376%0.759SS**SBendtrans-84.114.6178.8-99.4-170.315800115.1
273G45.2Very low47.7Very low70 Ų70151.1 Ų151.172%0.72278%0.782SS**SBendtrans-93.6-24.3-166.500000118.5L271L271-G273 VanDerWaalsContact C-N 3.27Å; L271-G273 PolarHBondContact O-N 3.28Å
274E44.9Very low47Very low189 Ų189154.5 Ų154.588%0.88382%0.816SS**SBendtrans-147.762.5-164.5-68-168.7124.800115.3
275T46.2Very low46.6Very low134 Ų134155.2 Ų155.282%0.82282%0.823SS**  trans-135.623.517059.10000116.3
276L49.9Very low46.3Very low160 Ų160157.7 Ų157.784%0.83883%0.833SS**SBendtrans-131.495.5166.9-72.5175.8000110.8
277N45Very low45.9Very low172 Ų172159 Ų15992%0.9284%0.84SS**SBendtrans169.654149-85.3-23.4000112.2
278N43.2Very low45.4Very low163 Ų163162.5 Ų162.587%0.87286%0.858SS**  trans-150.665.1162-168.840.3000112.2
279S43.6Very low45Very low110 Ų110165 Ų16577%0.76988%0.876SS**  trans-152.189165-159.70000109.7
280N41.6Very low45Very low165 Ų165166.2 Ų166.288%0.88288%0.882SS**  trans-16972.7157.1-98.8-18.2000109.2
281N43.9Very low44.3Very low156 Ų156161.2 Ų161.283%0.83488%0.881SS**  trans-145.3140.4154.5-108.5-21.2000107.5
282N40.8Very low43.9Very low161 Ų161162.5 Ų162.586%0.86189%0.89SS**  trans71.383.8-176-55.2-22.1000116.9
283R42Very low43.8Very low250 Ų250160.1 Ų160.194%0.94389%0.89SS**  -141.8149.9121.8-149.9166.1-174.7-165.8-1.2111
284S39.6Very low43.7Very low191 Ų191168.3 Ų168.3100%1.33691%0.905SS**  trans-55.10-171.7-51.40000115.7

Retrieved 284 of 284 residues in 54.9 ms (Link to these results)