A0A077ZJP5_TRITR Loading...

Serine/threonine-protein phosphatase 2A activator

PPIases accelerate the folding of proteins. It catalyzes the cis-trans isomerization of proline imidic peptide bonds in oligopeptides.

AlphaFold DB , UniProt , Accession A0A077ZJP5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 248 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
1M34.4Very low47.3Very low212 Ų212138 Ų138100%1.04472%0.716SS**  0-22.70-83.1-163.1-79.400115.2F4M1-F4 PolarHBondContact O-N 2.96Å
2I35.9Very low50.2Low129 Ų129136.6 Ų136.666%0.66270%0.704SS**G310 helixtrans-74.3-30.2-173.1-64.6164000114.1F4I2-F4 PolarHBondContact O-N 3.24Å
3H30.7Very low52.9Low185 Ų185133.2 Ų133.286%0.85669%0.686SS**G310 helixtrans-75.6-5.9177.2-116.8-88.1000114.5
4F32.3Very low54.9Low184 Ų184129 Ų12981%0.80766%0.664SS**G310 helixtrans-86.6-16.3-174.4-103-87.1000114.3M1 I2M1-F4 PolarHBondContact O-N 2.96Å; I2-F4 PolarHBondContact O-N 3.24Å
5V34.5Very low56.8Low107 Ų107128.1 Ų128.165%0.64865%0.649SS**SBendtrans-97.9-19.6-168.7-173.80000113.6
6V38.6Very low58.7Low119 Ų119122.3 Ų122.372%0.72162%0.62SS**  trans-96.41.6-175.1-167.90000113.5L8V6-L8 PolarHBondContact O-N 3.4Å
7C43.2Very low60.4Low120 Ų120119.2 Ų119.281%0.81161%0.605SS**  trans-74.957.9163.4-132.90000109.2F9C7-F9 PolarHBondContact O-N 3.37Å
8L51.9Low62Low128 Ų128116.9 Ų116.967%0.6759%0.594SS**  trans-56.2129.9170.4-69.8166.5000106.6V6 I10V6-L8 PolarHBondContact O-N 3.4Å; L8-I10 VanDerWaalsContact C-N 3.3Å; L8-I10 PolarHBondContact O-N 3.49Å
9F64.6Low63.5Low195 Ų195114.3 Ų114.386%0.85559%0.587SS**  trans-57.290.6179.9-167.5-95.3000109.4C7 P11C7-F9 PolarHBondContact O-N 3.37Å; F9-P11 WeakPolarHBondContact O-CD 3.44Å
10I72.7Confident65Low73 Ų73109 Ų10937%0.37456%0.56SS.*  trans-65.1116.6176.8-59.4177.6000106.5L8 I14 R15L8-I10 VanDerWaalsContact C-N 3.3Å; L8-I10 PolarHBondContact O-N 3.49Å; I10-I14 HydrophobicContact CG2-CB 3.68Å; I10-I14 HydrophobicContact CG2-CG2 3.6Å; I10-R15 HydrophobicContact CB-CG 4.42Å; I10-R15 HydrophobicContact CG2-CG 3.9Å; I10-R15 PolarHBondContact O-NE 2.95Å
11P81.4Confident66.2Low66 Ų66109.5 Ų109.543%0.42956%0.561SS.*  trans-56.9147.6-179.2-2434.4000111.2F9 I13 I14 R15F9-P11 WeakPolarHBondContact O-CD 3.44Å; P11-I13 VanDerWaalsContact C-N 3.28Å; P11-I13 HydrophobicContact CB-CG2 4.17Å; P11-I13 PolarHBondContact O-N 3.2Å; P11-I14 HydrophobicContact CB-CG1 4.3Å; P11-I14 HydrophobicContact CG-CG1 4.33Å; P11-I14 WeakPolarHBondContact O-CB 3.39Å; P11-I14 PolarHBondContact O-N 3.1Å; P11-R15 PolarHBondContact O-N 3.43Å
12Q81.8Confident69.1Low121 Ų121103.7 Ų103.757%0.56553%0.534SS*.Hα-helixtrans-55-43.4-175.4-173.557.942.600112.4I14 R15 D16Q12-I14 PolarHBondContact O-N 3.3Å; Q12-I14 VanDerWaalsContact O-N 3.16Å; Q12-R15 WeakPolarHBondContact O-CA 3.09Å; Q12-R15 WeakPolarHBondContact O-CB 3.32Å; Q12-R15 PolarHBondContact O-N 2.84Å; Q12-D16 PolarHBondContact NE2-OD1 3.13Å; Q12-D16 VanDerWaalsContact O-CG 3.26Å; Q12-D16 PolarHBondContact O-N 3.38Å
13I85.1Confident71.9Confident93 Ų9399.1 Ų99.148%0.47751%0.512SS..Hα-helixtrans-55.2-36.1176.9-170.7168.2000113.2P11 D16 L17 V63P11-I13 VanDerWaalsContact C-N 3.28Å; P11-I13 HydrophobicContact CB-CG2 4.17Å; P11-I13 PolarHBondContact O-N 3.2Å; I13-D16 PolarHBondContact O-N 3.3Å; I13-L17 HydrophobicContact CG1-CD1 4.31Å; I13-L17 WeakPolarHBondContact O-CB 3.4Å; I13-L17 VanDerWaalsContact O-CG 3.25Å; I13-L17 WeakPolarHBondContact O-CG 3.18Å; I13-L17 PolarHBondContact O-N 2.97Å; I13-V63 HydrophobicContact CG1-CG1 4.22Å
14I81.6Confident74.7Confident74 Ų7490.9 Ų90.938%0.37948%0.475SS..Hα-helixtrans-71.4-36.8177.4-57.7-59000110.3I10 P11 Q12 D16 L17 I18I10-I14 HydrophobicContact CG2-CB 3.68Å; I10-I14 HydrophobicContact CG2-CG2 3.6Å; P11-I14 HydrophobicContact CB-CG1 4.3Å; P11-I14 HydrophobicContact CG-CG1 4.33Å; P11-I14 WeakPolarHBondContact O-CB 3.39Å; P11-I14 PolarHBondContact O-N 3.1Å; Q12-I14 PolarHBondContact O-N 3.3Å; Q12-I14 VanDerWaalsContact O-N 3.16Å; I14-D16 VanDerWaalsContact C-N 3.34Å; I14-L17 HydrophobicContact CD1-CD1 4.35Å; I14-L17 PolarHBondContact O-N 3.18Å; I14-I18 HydrophobicContact CG2-CD1 3.99Å; I14-I18 WeakPolarHBondContact O-CB 3.09Å; I14-I18 WeakPolarHBondContact O-CD1 3.37Å; I14-I18 WeakPolarHBondContact O-CG1 3.28Å; I14-I18 PolarHBondContact O-N 2.96Å
15R83.3Confident77.6Confident116 Ų11686.8 Ų86.844%0.43846%0.461SS..Hα-helixtrans-65.9-39174.4-60.2-178.2-177.9-84.21.9111.6I10 P11 Q12 I18 S19I10-R15 HydrophobicContact CB-CG 4.42Å; I10-R15 HydrophobicContact CG2-CG 3.9Å; I10-R15 PolarHBondContact O-NE 2.95Å; P11-R15 PolarHBondContact O-N 3.43Å; Q12-R15 WeakPolarHBondContact O-CA 3.09Å; Q12-R15 WeakPolarHBondContact O-CB 3.32Å; Q12-R15 PolarHBondContact O-N 2.84Å; R15-I18 PolarHBondContact O-N 3.23Å; R15-S19 WeakPolarHBondContact O-CB 3.32Å; R15-S19 PolarHBondContact O-N 3.23Å; R15-S19 PolarHBondContact O-OG 3.45Å
16D87.4Confident80.5Confident34 Ų3487.4 Ų87.418%0.18245%0.452CS..Hα-helixtrans-68.2-41.7178-56.7-29.2000110.6Q12 I13 I14 S19 L20 V63Q12-D16 PolarHBondContact NE2-OD1 3.13Å; Q12-D16 VanDerWaalsContact O-CG 3.26Å; Q12-D16 PolarHBondContact O-N 3.38Å; I13-D16 PolarHBondContact O-N 3.3Å; I14-D16 VanDerWaalsContact C-N 3.34Å; D16-S19 PolarHBondContact O-N 3.41Å; D16-L20 WeakPolarHBondContact O-CB 3.05Å; D16-L20 PolarHBondContact O-N 3.28Å; D16-V63 HydrophobicContact CB-CB 4.48Å; D16-V63 HydrophobicContact CB-CG1 4.46Å; D16-V63 HydrophobicContact CB-CG2 4.31Å
17L87.9Confident83.2Confident71 Ų7182.5 Ų82.537%0.37242%0.42SS..Hα-helixtrans-62-43.6172.7-75.2168.8000112.3I13 I14 S19 L20 M21 V63I13-L17 HydrophobicContact CG1-CD1 4.31Å; I13-L17 WeakPolarHBondContact O-CB 3.4Å; I13-L17 VanDerWaalsContact O-CG 3.25Å; I13-L17 WeakPolarHBondContact O-CG 3.18Å; I13-L17 PolarHBondContact O-N 2.97Å; I14-L17 HydrophobicContact CD1-CD1 4.35Å; I14-L17 PolarHBondContact O-N 3.18Å; L17-S19 VanDerWaalsContact C-N 3.32Å; L17-S19 PolarHBondContact O-N 3.45Å; L17-L20 PolarHBondContact O-N 3.26Å; L17-M21 WeakPolarHBondContact O-CG 3.4Å; L17-M21 PolarHBondContact O-N 3.43Å; L17-V63 HydrophobicContact CD2-CG1 3.9Å; L17-V63 HydrophobicContact CD2-CG2 4.19Å; L17-V63 HydrophobicContact CG-CG1 4Å
18I88.4Confident85.6Confident78 Ų7881.3 Ų81.340%0.441%0.405SS..Hα-helixtrans-60.2-45.6174.3-70.9164.2000110.1I14 R15 L20 M21 D22I14-I18 HydrophobicContact CG2-CD1 3.99Å; I14-I18 WeakPolarHBondContact O-CB 3.09Å; I14-I18 WeakPolarHBondContact O-CD1 3.37Å; I14-I18 WeakPolarHBondContact O-CG1 3.28Å; I14-I18 PolarHBondContact O-N 2.96Å; R15-I18 PolarHBondContact O-N 3.23Å; I18-L20 VanDerWaalsContact C-N 3.3Å; I18-L20 PolarHBondContact O-N 2.94Å; I18-M21 CarbonylContact O-C 3.4Å; I18-M21 WeakPolarHBondContact O-CA 3.36Å; I18-M21 WeakPolarHBondContact O-CB 3.24Å; I18-M21 PolarHBondContact O-N 3.01Å; I18-D22 VanDerWaalsContact O-CG 3.29Å; I18-D22 PolarHBondContact O-N 2.78Å
19S91.4Very high87.6Confident66 Ų6681.5 Ų81.546%0.46241%0.407SS..Hα-helixtrans-61.4-39.7179.1-560000111.7R15 D16 L17 D22 V23R15-S19 WeakPolarHBondContact O-CB 3.32Å; R15-S19 PolarHBondContact O-N 3.23Å; R15-S19 PolarHBondContact O-OG 3.45Å; D16-S19 PolarHBondContact O-N 3.41Å; L17-S19 VanDerWaalsContact C-N 3.32Å; L17-S19 PolarHBondContact O-N 3.45Å; S19-D22 PolarHBondContact O-N 3.33Å; S19-V23 WeakPolarHBondContact O-CG2 3.19Å; S19-V23 PolarHBondContact O-N 2.76Å
20L92.4Very high89Confident9 Ų977.3 Ų77.35%0.04739%0.39CS..Hα-helixtrans-63-43.3172.3171.3163.7000111.5D16 L17 I18 D22 V23 M24 L59 V63 F79D16-L20 WeakPolarHBondContact O-CB 3.05Å; D16-L20 PolarHBondContact O-N 3.28Å; L17-L20 PolarHBondContact O-N 3.26Å; I18-L20 VanDerWaalsContact C-N 3.3Å; I18-L20 PolarHBondContact O-N 2.94Å; L20-D22 VanDerWaalsContact C-N 3.34Å; L20-D22 PolarHBondContact O-N 2.82Å; L20-V23 WeakPolarHBondContact O-CB 3.38Å; L20-V23 PolarHBondContact O-N 3.42Å; L20-M24 HydrophobicContact CD2-CE 3.54Å; L20-M24 HydrophobicContact CD2-SD 4.4Å; L20-M24 PolarHBondContact O-N 3.3Å; L20-L59 HydrophobicContact CD1-CB 3.79Å; L20-L59 HydrophobicContact CG-CB 4.1Å; L20-L59 HydrophobicContact CG-CD1 4.43Å; L20-L59 HydrophobicContact CG-CD2 4.21Å; L20-L59 HydrophobicContact CG-CG 4.49Å; L20-V63 HydrophobicContact CB-CG2 4.1Å; L20-V63 HydrophobicContact CD1-CG2 3.53Å; L20-V63 HydrophobicContact CG-CG2 4.47Å; L20-F79 HydrophobicContact CD1-CE2 4.41Å; L20-F79 HydrophobicContact CD1-CZ 4.14Å; L20-F79 HydrophobicContact CD2-CE2 3.87Å; L20-F79 HydrophobicContact CD2-CZ 3.62Å; L20-F79 HydrophobicContact CG-CZ 4.28Å
21M91.1Very high90.1Very high119 Ų11974.8 Ų74.859%0.58638%0.378SS*.Hα-helixtrans-61.9-40.8175.6-71.8-178.468.300112L17 I18 V23 M24 D25L17-M21 WeakPolarHBondContact O-CG 3.4Å; L17-M21 PolarHBondContact O-N 3.43Å; I18-M21 CarbonylContact O-C 3.4Å; I18-M21 WeakPolarHBondContact O-CA 3.36Å; I18-M21 WeakPolarHBondContact O-CB 3.24Å; I18-M21 PolarHBondContact O-N 3.01Å; M21-V23 PolarHBondContact O-N 2.8Å; M21-M24 HydrophobicContact CG-CE 4.33Å; M21-M24 PolarHBondContact O-N 3.05Å; M21-M24 VanDerWaalsContact O-N 3.11Å; M21-D25 WeakPolarHBondContact O-CB 3.22Å; M21-D25 PolarHBondContact O-N 3.44Å
22D93.7Very high90.6Very high90 Ų9075.8 Ų75.848%0.48138%0.384SS..Hα-helixtrans-62.5-30.8176.1-66.2-24.5000111.9I18 S19 L20 R26I18-D22 VanDerWaalsContact O-CG 3.29Å; I18-D22 PolarHBondContact O-N 2.78Å; S19-D22 PolarHBondContact O-N 3.33Å; L20-D22 VanDerWaalsContact C-N 3.34Å; L20-D22 PolarHBondContact O-N 2.82Å; D22-R26 WeakPolarHBondContact O-CG 3.48Å; D22-R26 PolarHBondContact O-N 2.81Å
23V95.3Very high91.1Very high33 Ų3375 Ų7520%0.239%0.39CS..Hα-helixtrans-65-46.7172.2177.90000111.4S19 L20 M21 R26 W27 L59S19-V23 WeakPolarHBondContact O-CG2 3.19Å; S19-V23 PolarHBondContact O-N 2.76Å; L20-V23 WeakPolarHBondContact O-CB 3.38Å; L20-V23 PolarHBondContact O-N 3.42Å; M21-V23 PolarHBondContact O-N 2.8Å; V23-R26 PolarHBondContact O-N 3.27Å; V23-W27 HydrophobicContact CG1-CH2 4.23Å; V23-W27 HydrophobicContact CG1-CZ2 3.66Å; V23-W27 PolarHBondContact O-N 3.12Å; V23-L59 HydrophobicContact CB-CD2 4.11Å; V23-L59 HydrophobicContact CG1-CD2 4.05Å; V23-L59 HydrophobicContact CG2-CD2 4.22Å
24M90.3Very high91.4Very high13 Ų1374 Ų746%0.06439%0.388CS..Hα-helixtrans-69.1-34.9-179.3-71.1-170.1-58.500112.8L20 M21 W27 I28 W48 L52 L59 F79 F83L20-M24 HydrophobicContact CD2-CE 3.54Å; L20-M24 HydrophobicContact CD2-SD 4.4Å; L20-M24 PolarHBondContact O-N 3.3Å; M21-M24 HydrophobicContact CG-CE 4.33Å; M21-M24 PolarHBondContact O-N 3.05Å; M21-M24 VanDerWaalsContact O-N 3.11Å; M24-W27 HydrophobicContact CB-CE3 4.46Å; M24-W27 HydrophobicContact CG-CE3 4.07Å; M24-W27 HydrophobicContact CG-CZ3 3.92Å; M24-W27 WeakPolarHBondContact O-CB 3.43Å; M24-W27 PolarHBondContact O-N 2.93Å; M24-W27 VanDerWaalsContact O-N 3.16Å; M24-I28 PolarHBondContact O-N 3.09Å; M24-W48 HydrophobicContact CB-CZ2 4.1Å; M24-W48 HydrophobicContact CG-CZ2 4.31Å; M24-W48 PolarHBondContact O-NE1 2.69Å; M24-W48 HydrophobicContact SD-CH2 4.3Å; M24-W48 HydrophobicContact SD-CZ2 4.22Å; M24-L52 HydrophobicContact SD-CD1 3.87Å; M24-L59 HydrophobicContact CG-CD1 4.42Å; M24-F79 HydrophobicContact CE-CE2 4.29Å; M24-F79 HydrophobicContact CE-CZ 3.93Å; M24-F79 HydrophobicContact SD-CE1 4.33Å; M24-F79 HydrophobicContact SD-CE2 4.38Å; M24-F79 HydrophobicContact SD-CZ 3.57Å; M24-F79 VanDerWaalsContact SD-CZ 3.57Å; M24-F83 HydrophobicContact CE-CE1 3.9Å; M24-F83 HydrophobicContact CE-CE2 4.32Å; M24-F83 HydrophobicContact CE-CZ 3.41Å; M24-F83 VanDerWaalsContact CE-CZ 3.41Å; M24-F83 HydrophobicContact SD-CE1 4Å; M24-F83 HydrophobicContact SD-CE2 3.98Å; M24-F83 HydrophobicContact SD-CZ 3.53Å; M24-F83 VanDerWaalsContact SD-CZ 3.53Å
25D92.5Very high91.9Very high97 Ų9778.1 Ų78.152%0.51941%0.41SS..Hα-helixtrans-61.5-45.2175.6-166.860.5000110.8M21 W27 I28M21-D25 WeakPolarHBondContact O-CB 3.22Å; M21-D25 PolarHBondContact O-N 3.44Å; D25-W27 VanDerWaalsContact C-N 3.25Å; D25-W27 PolarHBondContact O-N 3.2Å; D25-I28 VanDerWaalsContact O-CB 3.27Å; D25-I28 WeakPolarHBondContact O-CB 3.35Å; D25-I28 PolarHBondContact O-N 3.09Å
26R96Very high92Very high120 Ų12074.4 Ų74.445%0.45340%0.398SS..Hα-helixtrans-59.1-35172.8-72-177-62.2101.5-7.9113.2D22 V23 I28 D29 E30D22-R26 WeakPolarHBondContact O-CG 3.48Å; D22-R26 PolarHBondContact O-N 2.81Å; V23-R26 PolarHBondContact O-N 3.27Å; R26-I28 PolarHBondContact O-N 3.1Å; R26-D29 PolarHBondContact O-N 3.17Å; R26-E30 IonicContact NH1-OE1 3.25Å; R26-E30 WeakPolarHBondContact O-CG 3.29Å; R26-E30 PolarHBondContact O-N 3.31Å
27W96Very high91.8Very high16 Ų1681.1 Ų81.16%0.06143%0.434CS..Hα-helixtrans-66.7-23.5177-66.7-16.8000113.1V23 M24 D25 E30 T31 K51 L52 N55 L59V23-W27 HydrophobicContact CG1-CH2 4.23Å; V23-W27 HydrophobicContact CG1-CZ2 3.66Å; V23-W27 PolarHBondContact O-N 3.12Å; M24-W27 HydrophobicContact CB-CE3 4.46Å; M24-W27 HydrophobicContact CG-CE3 4.07Å; M24-W27 HydrophobicContact CG-CZ3 3.92Å; M24-W27 WeakPolarHBondContact O-CB 3.43Å; M24-W27 PolarHBondContact O-N 2.93Å; M24-W27 VanDerWaalsContact O-N 3.16Å; D25-W27 VanDerWaalsContact C-N 3.25Å; D25-W27 PolarHBondContact O-N 3.2Å; W27-E30 PolarHBondContact O-N 3.26Å; W27-T31 WeakPolarHBondContact O-CB 3.41Å; W27-T31 PolarHBondContact O-N 3.05Å; W27-T31 PolarHBondContact O-OG1 3.2Å; W27-K51 VanDerWaalsContact CD1-CE 3.46Å; W27-K51 HydrophobicContact CD2-CB 4.32Å; W27-K51 HydrophobicContact CE3-CB 4.29Å; W27-K51 HydrophobicContact CG-CD 4.48Å; W27-L52 HydrophobicContact CZ3-CB 4.38Å; W27-L52 HydrophobicContact CZ3-CD1 4.23Å; W27-N55 HydrophobicContact CH2-CB 3.54Å; W27-N55 HydrophobicContact CZ2-CB 3.83Å; W27-L59 HydrophobicContact CH2-CD1 3.67Å; W27-L59 HydrophobicContact CZ3-CD1 4.12Å
28I91.7Very high91.4Very high96 Ų9680 Ų8049%0.49243%0.432SS..Hα-helixtrans-66-46.1174-60.6172.7000109.4M24 D25 R26 E30 T31M24-I28 PolarHBondContact O-N 3.09Å; D25-I28 VanDerWaalsContact O-CB 3.27Å; D25-I28 WeakPolarHBondContact O-CB 3.35Å; D25-I28 PolarHBondContact O-N 3.09Å; R26-I28 PolarHBondContact O-N 3.1Å; I28-E30 VanDerWaalsContact C-N 3.33Å; I28-E30 PolarHBondContact O-N 3.13Å; I28-T31 CarbonylContact O-C 3.47Å; I28-T31 PolarHBondContact O-N 2.82Å; I28-T31 VanDerWaalsContact O-N 3.15Å
29D94.3Very high91.1Very high131 Ų13186.3 Ų86.370%0.70145%0.451SS*.Hα-helixtrans-64.3-38176.1-68.2-29.1000112.2R26 T31R26-D29 PolarHBondContact O-N 3.17Å; D29-T31 PolarHBondContact O-N 2.69Å
30E95.2Very high90.4Very high108 Ų10889.7 Ų89.751%0.50546%0.457SS..Hα-helixtrans-73.7-12.8176.6-67168.4-163.900113.4R26 W27 I28 P32 K51R26-E30 IonicContact NH1-OE1 3.25Å; R26-E30 WeakPolarHBondContact O-CG 3.29Å; R26-E30 PolarHBondContact O-N 3.31Å; W27-E30 PolarHBondContact O-N 3.26Å; I28-E30 VanDerWaalsContact C-N 3.33Å; I28-E30 PolarHBondContact O-N 3.13Å; E30-P32 VanDerWaalsContact C-CD 3.44Å; E30-P32 WeakPolarHBondContact O-CD 3.5Å; E30-K51 IonicContact OE2-NZ 2.65Å; E30-K51 PolarHBondContact OE2-NZ 3.23Å
31T94.5Very high89.9Confident19 Ų1990.5 Ų90.512%0.11747%0.468CS..SBendtrans-123.767.2-177-40.20000110.3W27 I28 D29 A44 T47 W48W27-T31 WeakPolarHBondContact O-CB 3.41Å; W27-T31 PolarHBondContact O-N 3.05Å; W27-T31 PolarHBondContact O-OG1 3.2Å; I28-T31 CarbonylContact O-C 3.47Å; I28-T31 PolarHBondContact O-N 2.82Å; I28-T31 VanDerWaalsContact O-N 3.15Å; D29-T31 PolarHBondContact O-N 2.69Å; T31-A44 HydrophobicContact CG2-CB 4.18Å; T31-A44 WeakPolarHBondContact CG2-O 3.45Å; T31-T47 HydrophobicContact CG2-CG2 3.79Å; T31-W48 HydrophobicContact CG2-CB 4.21Å
32P93.6Very high89.9Confident87 Ų8786.6 Ų86.657%0.56545%0.449SS*.PPolyproline II helixtrans-62.2153-175.626.9-35.6000111.8E30 V34 A44E30-P32 VanDerWaalsContact C-CD 3.44Å; E30-P32 WeakPolarHBondContact O-CD 3.5Å; P32-V34 PolarHBondContact O-N 3.27Å; P32-A44 WeakPolarHBondContact O-CB 3.19Å
33P91.8Very high89.8Confident106 Ų10686.6 Ų86.669%0.68845%0.445SS*.PPolyproline II helixtrans-55.9133.6178-24.333.6000112.2
34V91.5Very high89.7Confident71 Ų7185.4 Ų85.443%0.4344%0.439SS..PPolyproline II helixtrans-75.5136.2173179.20000109.1P32 Q36 N42 A44P32-V34 PolarHBondContact O-N 3.27Å; V34-Q36 PolarHBondContact O-N 3.05Å; V34-N42 PolarHBondContact N-ND2 3.43Å; V34-N42 PolarHBondContact N-OD1 3.34Å; V34-N42 PolarHBondContact O-ND2 3.29Å; V34-A44 HydrophobicContact CG2-CB 4.2Å
35D90.7Very high89.8Confident160 Ų16085.9 Ų85.986%0.85644%0.441SS*.  trans-67.3113.5170.6-173.814.7000109.6
36Q85.4Confident89.9Confident39 Ų3986.6 Ų86.618%0.18244%0.436CS..  trans-155.1150.7-172.266.7-174.761.200112.4V34 S38 G41 F43V34-Q36 PolarHBondContact O-N 3.05Å; Q36-S38 VanDerWaalsContact C-N 3.29Å; Q36-S38 PolarHBondContact O-N 3.33Å; Q36-G41 PolarHBondContact NE2-O 3.42Å; Q36-F43 HydrophobicContact CB-CD2 4.39Å; Q36-F43 VanDerWaalsContact OE1-CB 3.24Å; Q36-F43 VanDerWaalsContact OE1-CG 3.23Å
37N83Confident89.9Confident175 Ų17584.8 Ų84.894%0.93644%0.438SS*.  trans-88.720.6176.5-73.6-9.1000114
38S81.2Confident89.9Confident46 Ų4685.2 Ų85.232%0.32244%0.44SS..  trans-83.3136.7179.8-174.40000111.7Q36 F40Q36-S38 VanDerWaalsContact C-N 3.29Å; Q36-S38 PolarHBondContact O-N 3.33Å; S38-F40 PolarHBondContact OG-N 3.38Å; S38-F40 VanDerWaalsContact OG-N 3.12Å
39R80.4Confident90Very high212 Ų21281.7 Ų81.780%0.842%0.422SS*.SBendtrans-87.2-12.7168.568.6-179.2-179-175.8-1.9113.9
40F77.6Confident90.1Very high137 Ų13778 Ų7860%0.60141%0.409SS*.SBendtrans-10767.8-172.7-62.5-67.3000110.7S38S38-F40 PolarHBondContact OG-N 3.38Å; S38-F40 VanDerWaalsContact OG-N 3.12Å
41G82.9Confident90.1Very high26 Ų2674.9 Ų74.927%0.26839%0.394SS..  trans72.2177.2-179.500000114.7Q36 Y91Q36-G41 PolarHBondContact NE2-O 3.42Å; G41-Y91 WeakPolarHBondContact CA-OH 3.22Å
42N90.3Very high90.2Very high37 Ų3774 Ų7420%0.19839%0.388CS..  trans-102.8137.5-177.3-164.9-74.4000111V34 A44 F45 Y91V34-N42 PolarHBondContact N-ND2 3.43Å; V34-N42 PolarHBondContact N-OD1 3.34Å; V34-N42 PolarHBondContact O-ND2 3.29Å; N42-A44 PolarHBondContact O-N 3.3Å; N42-A44 WeakPolarHBondContact OD1-CB 3.38Å; N42-A44 PolarHBondContact OD1-N 3.48Å; N42-F45 VanDerWaalsContact O-CB 3.28Å; N42-F45 WeakPolarHBondContact O-CB 3.28Å; N42-F45 PolarHBondContact O-N 3.42Å; N42-F45 VanDerWaalsContact O-N 3.11Å; N42-Y91 PolarHBondContact N-OH 3.24Å
43F91.6Very high90.3Very high89 Ų8974.3 Ų74.339%0.3938%0.381SS..THydrogen-bonded Turntrans-66.7-20.8-179.6-65.1-42.4000113.1Q36 F45 R46 I89Q36-F43 HydrophobicContact CB-CD2 4.39Å; Q36-F43 VanDerWaalsContact OE1-CB 3.24Å; Q36-F43 VanDerWaalsContact OE1-CG 3.23Å; F43-F45 PolarHBondContact O-N 3.32Å; F43-F45 VanDerWaalsContact O-N 3.1Å; F43-R46 WeakPolarHBondContact O-CB 3.4Å; F43-R46 PolarHBondContact O-N 2.84Å; F43-I89 HydrophobicContact CD1-CD1 3.46Å; F43-I89 VanDerWaalsContact CD1-CD1 3.46Å; F43-I89 HydrophobicContact CE1-CD1 3.6Å
44A93.4Very high90.5Very high9 Ų977 Ų777%0.07438%0.384CS..Hα-helixtrans-51.9-29.4169.600000112.6T31 P32 V34 N42 R46 T47 W48T31-A44 HydrophobicContact CG2-CB 4.18Å; T31-A44 WeakPolarHBondContact CG2-O 3.45Å; P32-A44 WeakPolarHBondContact O-CB 3.19Å; V34-A44 HydrophobicContact CG2-CB 4.2Å; N42-A44 PolarHBondContact O-N 3.3Å; N42-A44 WeakPolarHBondContact OD1-CB 3.38Å; N42-A44 PolarHBondContact OD1-N 3.48Å; A44-R46 PolarHBondContact O-N 3.04Å; A44-T47 WeakPolarHBondContact O-CB 3.4Å; A44-T47 PolarHBondContact O-N 2.88Å; A44-T47 VanDerWaalsContact O-N 3.08Å; A44-W48 PolarHBondContact O-N 3.37Å
45F93.2Very high90.8Very high22 Ų2276.5 Ų76.510%0.09638%0.379CS..Hα-helixtrans-58.5-34.8175.5177.9-119.9000113.3N42 F43 T47 W48 E49 F83 I89 Y91N42-F45 VanDerWaalsContact O-CB 3.28Å; N42-F45 WeakPolarHBondContact O-CB 3.28Å; N42-F45 PolarHBondContact O-N 3.42Å; N42-F45 VanDerWaalsContact O-N 3.11Å; F43-F45 PolarHBondContact O-N 3.32Å; F43-F45 VanDerWaalsContact O-N 3.1Å; F45-T47 VanDerWaalsContact C-N 3.33Å; F45-W48 HydrophobicContact CD2-CE3 4.24Å; F45-W48 HydrophobicContact CE2-CE3 4.04Å; F45-W48 HydrophobicContact CE2-CZ3 4.27Å; F45-W48 PolarHBondContact O-N 3.21Å; F45-E49 WeakPolarHBondContact O-CB 3.24Å; F45-E49 PolarHBondContact O-N 3.41Å; F45-F83 WeakPolarHBondContact CZ-O 3.44Å; F45-I89 HydrophobicContact CB-CG2 4.28Å; F45-I89 HydrophobicContact CD1-CB 4.47Å; F45-I89 HydrophobicContact CD1-CG2 3.93Å; F45-I89 HydrophobicContact CG-CG2 4.48Å; F45-Y91 HydrophobicContact CB-CE1 3.76Å; F45-Y91 HydrophobicContact CD1-CD1 4.07Å; F45-Y91 AromaticContact CD1-CE1 3.86Å; F45-Y91 HydrophobicContact CD1-CE1 3.86Å; F45-Y91 AromaticContact CD2-CD1 3.68Å; F45-Y91 HydrophobicContact CD2-CD1 3.68Å; F45-Y91 AromaticContact CD2-CE1 3.66Å; F45-Y91 HydrophobicContact CD2-CE1 3.66Å; F45-Y91 HydrophobicContact CE1-CD1 4.1Å; F45-Y91 HydrophobicContact CE1-CE1 4.35Å; F45-Y91 AromaticContact CE2-CD1 3.74Å; F45-Y91 HydrophobicContact CE2-CD1 3.74Å; F45-Y91 HydrophobicContact CE2-CE1 4.21Å; F45-Y91 AromaticContact CG-CD1 3.86Å; F45-Y91 HydrophobicContact CG-CD1 3.86Å; F45-Y91 AromaticContact CG-CE1 3.47Å; F45-Y91 HydrophobicContact CG-CE1 3.47Å; F45-Y91 VanDerWaalsContact CG-CE1 3.47Å; F45-Y91 AromaticContact CZ-CD1 3.95Å; F45-Y91 HydrophobicContact CZ-CD1 3.95Å
46R94.2Very high91Very high113 Ų11368.9 Ų68.943%0.42634%0.338SS..Hα-helixtrans-67.5-37.7177.1-62.2-176.5170.9172-0.9111.4F43 A44 A50 A86 T87F43-R46 WeakPolarHBondContact O-CB 3.4Å; F43-R46 PolarHBondContact O-N 2.84Å; A44-R46 PolarHBondContact O-N 3.04Å; R46-A50 WeakPolarHBondContact O-CB 3.48Å; R46-A50 PolarHBondContact O-N 2.85Å; R46-A86 HydrophobicContact CG-CB 4.19Å; R46-A86 WeakPolarHBondContact CG-O 3.44Å; R46-A86 PolarHBondContact NE-O 3.41Å; R46-T87 PolarHBondContact NH2-O 3.27Å; R46-T87 VanDerWaalsContact NH2-O 3.14Å
47T95.2Very high91.4Very high81 Ų8171 Ų7150%0.49735%0.353SS..Hα-helixtrans-66.2-43.3174.5-54.40000110.7T31 A44 F45 A50 K51T31-T47 HydrophobicContact CG2-CG2 3.79Å; A44-T47 WeakPolarHBondContact O-CB 3.4Å; A44-T47 PolarHBondContact O-N 2.88Å; A44-T47 VanDerWaalsContact O-N 3.08Å; F45-T47 VanDerWaalsContact C-N 3.33Å; T47-A50 PolarHBondContact O-N 3.45Å; T47-K51 PolarHBondContact O-N 3.25Å
48W95.7Very high92Very high26 Ų2665.8 Ų65.810%0.09834%0.335CS..Hα-helixtrans-64.5-43.7176.4-176.895.3000112M24 T31 A44 F45 A50 K51 L52 F83M24-W48 HydrophobicContact CB-CZ2 4.1Å; M24-W48 HydrophobicContact CG-CZ2 4.31Å; M24-W48 PolarHBondContact O-NE1 2.69Å; M24-W48 HydrophobicContact SD-CH2 4.3Å; M24-W48 HydrophobicContact SD-CZ2 4.22Å; T31-W48 HydrophobicContact CG2-CB 4.21Å; A44-W48 PolarHBondContact O-N 3.37Å; F45-W48 HydrophobicContact CD2-CE3 4.24Å; F45-W48 HydrophobicContact CE2-CE3 4.04Å; F45-W48 HydrophobicContact CE2-CZ3 4.27Å; F45-W48 PolarHBondContact O-N 3.21Å; W48-A50 VanDerWaalsContact C-N 3.34Å; W48-A50 PolarHBondContact O-N 2.91Å; W48-K51 WeakPolarHBondContact O-CB 3.44Å; W48-K51 PolarHBondContact O-N 3.23Å; W48-K51 VanDerWaalsContact O-N 3.16Å; W48-L52 HydrophobicContact CH2-CD2 3.96Å; W48-L52 HydrophobicContact CZ3-CB 4.3Å; W48-L52 HydrophobicContact CZ3-CD2 3.77Å; W48-L52 PolarHBondContact O-N 2.61Å; W48-F83 HydrophobicContact CH2-CB 4.13Å; W48-F83 AromaticContact CH2-CD1 3.63Å; W48-F83 HydrophobicContact CH2-CD1 3.63Å; W48-F83 HydrophobicContact CH2-CD2 4.45Å; W48-F83 HydrophobicContact CH2-CE1 4.17Å; W48-F83 AromaticContact CH2-CG 3.8Å; W48-F83 HydrophobicContact CH2-CG 3.8Å; W48-F83 HydrophobicContact CZ3-CB 3.93Å; W48-F83 HydrophobicContact CZ3-CD1 4.27Å; W48-F83 HydrophobicContact CZ3-CG 4.11Å
49E94.5Very high92.6Very high22 Ų2264.4 Ų64.410%0.10332%0.324CS..Hα-helixtrans-67.2-34.5178.5-170-114.7-13800112.3F45 K51 L52 K53 A86F45-E49 WeakPolarHBondContact O-CB 3.24Å; F45-E49 PolarHBondContact O-N 3.41Å; E49-K51 VanDerWaalsContact C-N 3.33Å; E49-K51 PolarHBondContact O-N 2.57Å; E49-L52 WeakPolarHBondContact O-CB 3.27Å; E49-L52 PolarHBondContact O-N 3.34Å; E49-K53 PolarHBondContact O-N 3.01Å; E49-K53 WeakPolarHBondContact OE1-CE 3.49Å; E49-K53 IonicContact OE1-NZ 3.81Å; E49-K53 PolarHBondContact OE1-NZ 2.83Å; E49-K53 WeakPolarHBondContact OE2-CD 3.49Å; E49-K53 WeakPolarHBondContact OE2-CE 3.34Å; E49-K53 IonicContact OE2-NZ 3.73Å; E49-K53 PolarHBondContact OE2-NZ 3.42Å; E49-A86 HydrophobicContact CB-CB 4.01Å; E49-A86 HydrophobicContact CG-CB 3.97Å; E49-A86 VanDerWaalsContact OE1-CB 3.24Å; E49-A86 WeakPolarHBondContact OE1-CB 3.31Å; E49-A86 WeakPolarHBondContact OE2-CB 2.78Å
50A95.9Very high93.2Very high52 Ų5254.9 Ų54.943%0.4329%0.29SS..Hα-helixtrans-61-42171.700000111.7R46 T47 W48 L52 K53 E54R46-A50 WeakPolarHBondContact O-CB 3.48Å; R46-A50 PolarHBondContact O-N 2.85Å; T47-A50 PolarHBondContact O-N 3.45Å; W48-A50 VanDerWaalsContact C-N 3.34Å; W48-A50 PolarHBondContact O-N 2.91Å; A50-L52 VanDerWaalsContact C-N 3.33Å; A50-L52 PolarHBondContact O-N 2.78Å; A50-K53 PolarHBondContact O-N 2.79Å; A50-E54 WeakPolarHBondContact O-CB 3.24Å; A50-E54 PolarHBondContact O-N 3.42Å
51K96.6Very high93.9Very high43 Ų4349.4 Ų49.419%0.18727%0.268CS..Hα-helixtrans-62.7-40.6173.5-66.5174.371.4176.30111.5W27 E30 T47 W48 E49 E54 N55W27-K51 VanDerWaalsContact CD1-CE 3.46Å; W27-K51 HydrophobicContact CD2-CB 4.32Å; W27-K51 HydrophobicContact CE3-CB 4.29Å; W27-K51 HydrophobicContact CG-CD 4.48Å; E30-K51 IonicContact OE2-NZ 2.65Å; E30-K51 PolarHBondContact OE2-NZ 3.23Å; T47-K51 PolarHBondContact O-N 3.25Å; W48-K51 WeakPolarHBondContact O-CB 3.44Å; W48-K51 PolarHBondContact O-N 3.23Å; W48-K51 VanDerWaalsContact O-N 3.16Å; E49-K51 VanDerWaalsContact C-N 3.33Å; E49-K51 PolarHBondContact O-N 2.57Å; K51-E54 PolarHBondContact O-N 3.07Å; K51-N55 WeakPolarHBondContact O-CB 3.48Å; K51-N55 PolarHBondContact O-N 3.41Å; K51-N55 VanDerWaalsContact O-N 3.17Å; K51-N55 PolarHBondContact O-ND2 3.45Å
52L95.5Very high94.3Very high0 Ų050.8 Ų50.80%027%0.274CS..Hα-helixtrans-58.8-50.2175.9179.665.4000111.2M24 W27 W48 E49 A50 E54 N55 S56 F79 E80 F83M24-L52 HydrophobicContact SD-CD1 3.87Å; W27-L52 HydrophobicContact CZ3-CB 4.38Å; W27-L52 HydrophobicContact CZ3-CD1 4.23Å; W48-L52 HydrophobicContact CH2-CD2 3.96Å; W48-L52 HydrophobicContact CZ3-CB 4.3Å; W48-L52 HydrophobicContact CZ3-CD2 3.77Å; W48-L52 PolarHBondContact O-N 2.61Å; E49-L52 WeakPolarHBondContact O-CB 3.27Å; E49-L52 PolarHBondContact O-N 3.34Å; A50-L52 VanDerWaalsContact C-N 3.33Å; A50-L52 PolarHBondContact O-N 2.78Å; L52-E54 VanDerWaalsContact C-N 3.33Å; L52-E54 PolarHBondContact O-N 3.09Å; L52-N55 CarbonylContact O-C 3.52Å; L52-N55 PolarHBondContact O-N 3.35Å; L52-S56 WeakPolarHBondContact O-CA 3.4Å; L52-S56 VanDerWaalsContact O-CB 3.28Å; L52-S56 WeakPolarHBondContact O-CB 3.45Å; L52-S56 PolarHBondContact O-N 3.31Å; L52-F79 HydrophobicContact CD1-CD1 4.17Å; L52-F79 HydrophobicContact CD1-CE1 3.47Å; L52-F79 VanDerWaalsContact CD1-CE1 3.47Å; L52-F79 HydrophobicContact CD1-CZ 4.06Å; L52-E80 HydrophobicContact CG-CG 4.5Å; L52-F83 HydrophobicContact CD2-CB 4.04Å; L52-F83 HydrophobicContact CD2-CD2 3.53Å; L52-F83 HydrophobicContact CD2-CE2 4.28Å; L52-F83 HydrophobicContact CD2-CG 3.96Å
53K95.7Very high94.2Very high95 Ų9550 Ų5041%0.41327%0.27SS..Hα-helixtrans-64.2-35178.8-72.2-178.1172154.90113.7E49 A50 N55 S56 E80E49-K53 PolarHBondContact O-N 3.01Å; E49-K53 WeakPolarHBondContact OE1-CE 3.49Å; E49-K53 IonicContact OE1-NZ 3.81Å; E49-K53 PolarHBondContact OE1-NZ 2.83Å; E49-K53 WeakPolarHBondContact OE2-CD 3.49Å; E49-K53 WeakPolarHBondContact OE2-CE 3.34Å; E49-K53 IonicContact OE2-NZ 3.73Å; E49-K53 PolarHBondContact OE2-NZ 3.42Å; A50-K53 PolarHBondContact O-N 2.79Å; K53-N55 VanDerWaalsContact C-N 3.27Å; K53-N55 PolarHBondContact O-N 3.15Å; K53-S56 PolarHBondContact O-OG 3.28Å; K53-E80 HydrophobicContact CG-CG 4.15Å
54E96.8Very high94.1Very high163 Ų16348.1 Ų48.176%0.76226%0.264SS*.Hα-helixtrans-68.8-27.6177.2-174.5174.5-165.900112.4A50 K51 L52A50-E54 WeakPolarHBondContact O-CB 3.24Å; A50-E54 PolarHBondContact O-N 3.42Å; K51-E54 PolarHBondContact O-N 3.07Å; L52-E54 VanDerWaalsContact C-N 3.33Å; L52-E54 PolarHBondContact O-N 3.09Å
55N97Very high93.7Very high59 Ų5950.4 Ų50.432%0.31628%0.283SS..Hα-helixtrans-116.7-5.3-170.7-68.4-87.9000114.3W27 K51 L52 K53 V57 A58 L59W27-N55 HydrophobicContact CH2-CB 3.54Å; W27-N55 HydrophobicContact CZ2-CB 3.83Å; K51-N55 WeakPolarHBondContact O-CB 3.48Å; K51-N55 PolarHBondContact O-N 3.41Å; K51-N55 VanDerWaalsContact O-N 3.17Å; K51-N55 PolarHBondContact O-ND2 3.45Å; L52-N55 CarbonylContact O-C 3.52Å; L52-N55 PolarHBondContact O-N 3.35Å; K53-N55 VanDerWaalsContact C-N 3.27Å; K53-N55 PolarHBondContact O-N 3.15Å; N55-V57 PolarHBondContact O-N 3.18Å; N55-A58 PolarHBondContact O-N 2.86Å; N55-A58 VanDerWaalsContact O-N 3.14Å; N55-L59 WeakPolarHBondContact O-CG 3.43Å; N55-L59 PolarHBondContact O-N 2.56Å
56S95.1Very high92.9Very high1 Ų155 Ų551%0.00731%0.308CS..Hα-helixtrans-55.7-47.4-173.157.20000112.8L52 K53 A58 L59 V60 E80L52-S56 WeakPolarHBondContact O-CA 3.4Å; L52-S56 VanDerWaalsContact O-CB 3.28Å; L52-S56 WeakPolarHBondContact O-CB 3.45Å; L52-S56 PolarHBondContact O-N 3.31Å; K53-S56 PolarHBondContact O-OG 3.28Å; S56-A58 VanDerWaalsContact C-N 3.33Å; S56-A58 PolarHBondContact O-N 3.21Å; S56-L59 PolarHBondContact O-N 2.98Å; S56-V60 WeakPolarHBondContact O-CG2 3.49Å; S56-V60 PolarHBondContact O-N 3.47Å; S56-E80 WeakPolarHBondContact CB-OE1 3.4Å; S56-E80 PolarHBondContact OG-OE1 3.07Å
57V94.8Very high92.3Very high82 Ų8256.8 Ų56.850%0.49732%0.319SS..Hα-helixtrans-58.2-44.9178.5175.70000110.9N55 S61 V72 A76N55-V57 PolarHBondContact O-N 3.18Å; V57-S61 VanDerWaalsContact O-CB 3.23Å; V57-S61 WeakPolarHBondContact O-CB 3.33Å; V57-S61 PolarHBondContact O-N 3.4Å; V57-V72 HydrophobicContact CB-CG1 4.45Å; V57-V72 HydrophobicContact CG1-CG1 3.79Å; V57-V72 VanDerWaalsContact O-CG1 3.27Å; V57-V72 WeakPolarHBondContact O-CG1 3.48Å; V57-A76 HydrophobicContact CG2-CB 3.97Å
58A94.2Very high91.8Very high67 Ų6757.8 Ų57.855%0.55432%0.322SS*.Hα-helixtrans-67.8-41.3179.300000112N55 S56 S61 S62N55-A58 PolarHBondContact O-N 2.86Å; N55-A58 VanDerWaalsContact O-N 3.14Å; S56-A58 VanDerWaalsContact C-N 3.33Å; S56-A58 PolarHBondContact O-N 3.21Å; A58-S61 PolarHBondContact O-N 2.85Å; A58-S62 PolarHBondContact O-N 2.91Å
59L93.9Very high91.5Very high16 Ų1664 Ų648%0.08435%0.352CS..Hα-helixtrans-62.5-50.5176.8-72.6179000111.4L20 V23 M24 W27 N55 S56 S61 S62 V63 F79L20-L59 HydrophobicContact CD1-CB 3.79Å; L20-L59 HydrophobicContact CG-CB 4.1Å; L20-L59 HydrophobicContact CG-CD1 4.43Å; L20-L59 HydrophobicContact CG-CD2 4.21Å; L20-L59 HydrophobicContact CG-CG 4.49Å; V23-L59 HydrophobicContact CB-CD2 4.11Å; V23-L59 HydrophobicContact CG1-CD2 4.05Å; V23-L59 HydrophobicContact CG2-CD2 4.22Å; M24-L59 HydrophobicContact CG-CD1 4.42Å; W27-L59 HydrophobicContact CH2-CD1 3.67Å; W27-L59 HydrophobicContact CZ3-CD1 4.12Å; N55-L59 WeakPolarHBondContact O-CG 3.43Å; N55-L59 PolarHBondContact O-N 2.56Å; S56-L59 PolarHBondContact O-N 2.98Å; L59-S61 VanDerWaalsContact C-N 3.35Å; L59-S61 PolarHBondContact O-N 3.37Å; L59-S62 WeakPolarHBondContact O-CB 3.38Å; L59-S62 PolarHBondContact O-N 3.26Å; L59-S62 PolarHBondContact O-OG 3.1Å; L59-V63 PolarHBondContact O-N 3.08Å; L59-F79 HydrophobicContact CD1-CE1 4.1Å; L59-F79 HydrophobicContact CD1-CZ 4.47Å
60V93.4Very high91.2Very high13 Ų1370.8 Ų70.88%0.07938%0.383CS..Hα-helixtrans-63.7-41.2178.9173.40000111.1S56 S62 V63 L64 V72 L75 A76 F79S56-V60 WeakPolarHBondContact O-CG2 3.49Å; S56-V60 PolarHBondContact O-N 3.47Å; V60-S62 VanDerWaalsContact C-N 3.27Å; V60-S62 PolarHBondContact O-N 3.13Å; V60-V63 PolarHBondContact O-N 3.06Å; V60-L64 HydrophobicContact CG1-CD1 4.43Å; V60-L64 PolarHBondContact O-N 2.96Å; V60-L64 VanDerWaalsContact O-N 3.12Å; V60-V72 HydrophobicContact CB-CG1 4.23Å; V60-V72 HydrophobicContact CG1-CB 4.46Å; V60-V72 HydrophobicContact CG1-CG1 4.15Å; V60-V72 HydrophobicContact CG1-CG2 4.5Å; V60-L75 HydrophobicContact CG1-CB 3.85Å; V60-L75 HydrophobicContact CG1-CD1 4.43Å; V60-A76 HydrophobicContact CG2-CB 4.48Å; V60-F79 HydrophobicContact CG2-CB 4.06Å; V60-F79 HydrophobicContact CG2-CD1 4.04Å; V60-F79 HydrophobicContact CG2-CG 4.1Å
61S92.6Very high91Very high22 Ų2269.2 Ų69.215%0.15437%0.371CS..Hα-helixtrans-57.4-40.4174.7-171.50000112V57 A58 L59 V63 L64 A65 N66V57-S61 VanDerWaalsContact O-CB 3.23Å; V57-S61 WeakPolarHBondContact O-CB 3.33Å; V57-S61 PolarHBondContact O-N 3.4Å; A58-S61 PolarHBondContact O-N 2.85Å; L59-S61 VanDerWaalsContact C-N 3.35Å; L59-S61 PolarHBondContact O-N 3.37Å; S61-V63 VanDerWaalsContact C-N 3.35Å; S61-V63 PolarHBondContact O-N 3.44Å; S61-L64 PolarHBondContact O-N 2.87Å; S61-A65 PolarHBondContact O-N 2.8Å; S61-N66 PolarHBondContact O-N 2.93Å; S61-N66 PolarHBondContact OG-OD1 3.25Å
62S90.4Very high90.8Very high55 Ų5567.5 Ų67.539%0.38536%0.363SS..Hα-helixtrans-62.8-39.2178.878.30000112.9A58 L59 V60 A65A58-S62 PolarHBondContact O-N 2.91Å; L59-S62 WeakPolarHBondContact O-CB 3.38Å; L59-S62 PolarHBondContact O-N 3.26Å; L59-S62 PolarHBondContact O-OG 3.1Å; V60-S62 VanDerWaalsContact C-N 3.27Å; V60-S62 PolarHBondContact O-N 3.13Å; S62-A65 PolarHBondContact O-N 3.07Å; S62-A65 VanDerWaalsContact O-N 3.15Å
63V89.1Confident90.6Very high19 Ų1972.4 Ų72.412%0.11539%0.393CS..Hα-helixtrans-70.7-33.4178.1177.20000112I13 D16 L17 L20 L59 V60 S61 A65I13-V63 HydrophobicContact CG1-CG1 4.22Å; D16-V63 HydrophobicContact CB-CB 4.48Å; D16-V63 HydrophobicContact CB-CG1 4.46Å; D16-V63 HydrophobicContact CB-CG2 4.31Å; L17-V63 HydrophobicContact CD2-CG1 3.9Å; L17-V63 HydrophobicContact CD2-CG2 4.19Å; L17-V63 HydrophobicContact CG-CG1 4Å; L20-V63 HydrophobicContact CB-CG2 4.1Å; L20-V63 HydrophobicContact CD1-CG2 3.53Å; L20-V63 HydrophobicContact CG-CG2 4.47Å; L59-V63 PolarHBondContact O-N 3.08Å; V60-V63 PolarHBondContact O-N 3.06Å; S61-V63 VanDerWaalsContact C-N 3.35Å; S61-V63 PolarHBondContact O-N 3.44Å; V63-A65 PolarHBondContact O-N 3.49Å
64L89Confident90.3Very high50 Ų5073.9 Ų73.926%0.26240%0.402SS..THydrogen-bonded Turntrans-80.17.8173.6-62.5-175.2000113.2V60 S61 N66 K67 A71 V72 L75V60-L64 HydrophobicContact CG1-CD1 4.43Å; V60-L64 PolarHBondContact O-N 2.96Å; V60-L64 VanDerWaalsContact O-N 3.12Å; S61-L64 PolarHBondContact O-N 2.87Å; L64-N66 PolarHBondContact O-N 3.25Å; L64-K67 WeakPolarHBondContact CB-O 3.13Å; L64-K67 VanDerWaalsContact O-CB 3.29Å; L64-K67 WeakPolarHBondContact O-CB 3.33Å; L64-K67 PolarHBondContact O-N 3.43Å; L64-A71 HydrophobicContact CD1-CB 4.17Å; L64-V72 HydrophobicContact CD1-CG2 3.85Å; L64-L75 HydrophobicContact CD1-CD1 4.09Å
65A84.2Confident90.1Very high57 Ų5769.8 Ų69.847%0.47139%0.385SS..THydrogen-bonded Turntrans52.936.4-17500000112.9S61 S62 V63 K67S61-A65 PolarHBondContact O-N 2.8Å; S62-A65 PolarHBondContact O-N 3.07Å; S62-A65 VanDerWaalsContact O-N 3.15Å; V63-A65 PolarHBondContact O-N 3.49Å; A65-K67 PolarHBondContact O-N 3.29Å
66N78.2Confident89.9Confident119 Ų11967.1 Ų67.164%0.63637%0.371SS*.THydrogen-bonded Turntrans56.428.2-175.2-49.5-66000113.5S61 L64S61-N66 PolarHBondContact O-N 2.93Å; S61-N66 PolarHBondContact OG-OD1 3.25Å; L64-N66 PolarHBondContact O-N 3.25Å
67K81.6Confident89.8Confident151 Ų15170 Ų7066%0.65739%0.39SS*.  trans-95.9148.5170-59.1177.4-178.6176.10109.2L64 A65L64-K67 WeakPolarHBondContact CB-O 3.13Å; L64-K67 VanDerWaalsContact O-CB 3.29Å; L64-K67 WeakPolarHBondContact O-CB 3.33Å; L64-K67 PolarHBondContact O-N 3.43Å; A65-K67 PolarHBondContact O-N 3.29Å
68N84.8Confident89.5Confident102 Ų10273.4 Ų73.455%0.54539%0.394SS..  trans58.768.3170.9-164-4.6000113.4E70 A71 V72N68-E70 PolarHBondContact O-N 3.17Å; N68-A71 HydrophobicContact CB-CB 4.12Å; N68-A71 VanDerWaalsContact CG-CB 3.48Å; N68-A71 WeakPolarHBondContact ND2-CB 3.35Å; N68-A71 WeakPolarHBondContact O-CB 3.44Å; N68-A71 PolarHBondContact O-N 3.38Å; N68-A71 PolarHBondContact OD1-N 3.24Å; N68-V72 PolarHBondContact O-N 3.21Å
69E87.9Confident89.3Confident157 Ų15771.8 Ų71.873%0.73438%0.375SS*.Hα-helixtrans-55.6-33178.5-65.6-180179.300112.7A71 V72 V73E69-A71 PolarHBondContact O-N 3.34Å; E69-V72 WeakPolarHBondContact O-CB 3.42Å; E69-V72 PolarHBondContact O-N 2.95Å; E69-V73 PolarHBondContact O-N 2.84Å
70E89.2Confident89.2Confident163 Ų16372.9 Ų72.976%0.76238%0.38SS*.Hα-helixtrans-62.1-42.1175.6-62.9-177.7173.800111.7N68 V72 V73 E74N68-E70 PolarHBondContact O-N 3.17Å; E70-V72 VanDerWaalsContact C-N 3.32Å; E70-V72 PolarHBondContact O-N 3.26Å; E70-V73 PolarHBondContact O-N 3.36Å; E70-E74 PolarHBondContact O-N 2.89Å
71A90.4Very high88.9Confident20 Ų2077.6 Ų77.617%0.16541%0.405CS..Hα-helixtrans-67.4-32175.400000112.4L64 N68 E69 V73 E74 L75L64-A71 HydrophobicContact CD1-CB 4.17Å; N68-A71 HydrophobicContact CB-CB 4.12Å; N68-A71 VanDerWaalsContact CG-CB 3.48Å; N68-A71 WeakPolarHBondContact ND2-CB 3.35Å; N68-A71 WeakPolarHBondContact O-CB 3.44Å; N68-A71 PolarHBondContact O-N 3.38Å; N68-A71 PolarHBondContact OD1-N 3.24Å; E69-A71 PolarHBondContact O-N 3.34Å; A71-V73 VanDerWaalsContact C-N 3.32Å; A71-V73 PolarHBondContact O-N 3.47Å; A71-E74 PolarHBondContact O-N 3.09Å; A71-L75 HydrophobicContact CB-CD1 4.4Å; A71-L75 VanDerWaalsContact O-CB 3.24Å; A71-L75 WeakPolarHBondContact O-CB 3.33Å; A71-L75 WeakPolarHBondContact O-CG 3.45Å; A71-L75 PolarHBondContact O-N 3.39Å
72V92.1Very high88.6Confident6 Ų680.7 Ų80.74%0.03643%0.426CS..Hα-helixtrans-61-44.6174.9179.50000110.5V57 V60 L64 N68 E69 E70 E74 L75 A76V57-V72 HydrophobicContact CB-CG1 4.45Å; V57-V72 HydrophobicContact CG1-CG1 3.79Å; V57-V72 VanDerWaalsContact O-CG1 3.27Å; V57-V72 WeakPolarHBondContact O-CG1 3.48Å; V60-V72 HydrophobicContact CB-CG1 4.23Å; V60-V72 HydrophobicContact CG1-CB 4.46Å; V60-V72 HydrophobicContact CG1-CG1 4.15Å; V60-V72 HydrophobicContact CG1-CG2 4.5Å; L64-V72 HydrophobicContact CD1-CG2 3.85Å; N68-V72 PolarHBondContact O-N 3.21Å; E69-V72 WeakPolarHBondContact O-CB 3.42Å; E69-V72 PolarHBondContact O-N 2.95Å; E70-V72 VanDerWaalsContact C-N 3.32Å; E70-V72 PolarHBondContact O-N 3.26Å; V72-E74 VanDerWaalsContact C-N 3.31Å; V72-E74 PolarHBondContact O-N 2.9Å; V72-L75 PolarHBondContact O-N 3.22Å; V72-A76 WeakPolarHBondContact O-CB 3.14Å; V72-A76 PolarHBondContact O-N 3.42Å
73V91.7Very high88.5Confident104 Ų10480.9 Ų80.963%0.6342%0.42SS*.Hα-helixtrans-61.2-40.1179175.70000111.4E69 E70 A71 P77E69-V73 PolarHBondContact O-N 2.84Å; E70-V73 PolarHBondContact O-N 3.36Å; A71-V73 VanDerWaalsContact C-N 3.32Å; A71-V73 PolarHBondContact O-N 3.47Å; V73-P77 WeakPolarHBondContact O-CD 3.05Å
74E90Very high88.4Confident125 Ų12580.6 Ų80.658%0.58442%0.421SS*.Hα-helixtrans-72.8-43.7177.8-176.5176.5-17800112.4E70 A71 V72 P77 Y78E70-E74 PolarHBondContact O-N 2.89Å; A71-E74 PolarHBondContact O-N 3.09Å; V72-E74 VanDerWaalsContact C-N 3.31Å; V72-E74 PolarHBondContact O-N 2.9Å; E74-P77 WeakPolarHBondContact O-CD 3.25Å; E74-Y78 HydrophobicContact CG-CD2 4.49Å; E74-Y78 HydrophobicContact CG-CE2 4Å; E74-Y78 WeakPolarHBondContact O-CD2 2.8Å
75L92.5Very high88.3Confident78 Ų7881.2 Ų81.241%0.40842%0.424SS..Hα-helixtrans-76.8-28.5-172.8-70.9171000113.6V60 L64 A71 V72 Y78 F79V60-L75 HydrophobicContact CG1-CB 3.85Å; V60-L75 HydrophobicContact CG1-CD1 4.43Å; L64-L75 HydrophobicContact CD1-CD1 4.09Å; A71-L75 HydrophobicContact CB-CD1 4.4Å; A71-L75 VanDerWaalsContact O-CB 3.24Å; A71-L75 WeakPolarHBondContact O-CB 3.33Å; A71-L75 WeakPolarHBondContact O-CG 3.45Å; A71-L75 PolarHBondContact O-N 3.39Å; V72-L75 PolarHBondContact O-N 3.22Å; L75-Y78 PolarHBondContact O-N 3.07Å; L75-F79 WeakPolarHBondContact O-CB 3.32Å; L75-F79 PolarHBondContact O-N 2.83Å
76A93.6Very high88.5Confident2 Ų279 Ų792%0.01741%0.406CS..Hα-helixtrans-58.7-47.2-17900000113.2V57 V60 V72 Y78 F79 E80V57-A76 HydrophobicContact CG2-CB 3.97Å; V60-A76 HydrophobicContact CG2-CB 4.48Å; V72-A76 WeakPolarHBondContact O-CB 3.14Å; V72-A76 PolarHBondContact O-N 3.42Å; A76-Y78 PolarHBondContact O-N 3.29Å; A76-F79 WeakPolarHBondContact O-CB 3.3Å; A76-F79 PolarHBondContact O-N 3.19Å; A76-F79 VanDerWaalsContact O-N 3.17Å; A76-E80 WeakPolarHBondContact O-CG 3.28Å; A76-E80 PolarHBondContact O-N 3.27Å
77P91.5Very high89Confident63 Ų6378.7 Ų78.741%0.40941%0.409SS..Hα-helixtrans-58.8-42.8172.8-26.933.8000114.2V73 E74 F79 E80 D81V73-P77 WeakPolarHBondContact O-CD 3.05Å; E74-P77 WeakPolarHBondContact O-CD 3.25Å; P77-F79 VanDerWaalsContact C-N 3.27Å; P77-F79 PolarHBondContact O-N 3.08Å; P77-E80 PolarHBondContact O-N 3.11Å; P77-D81 WeakPolarHBondContact O-CB 3.49Å; P77-D81 PolarHBondContact O-N 2.9Å
78Y89.2Confident89.1Confident152 Ų15280.3 Ų80.360%0.59641%0.411SS*.Hα-helixtrans-62.6-38.2175.8-72.7-77.6000111.7E74 L75 A76 S82E74-Y78 HydrophobicContact CG-CD2 4.49Å; E74-Y78 HydrophobicContact CG-CE2 4Å; E74-Y78 WeakPolarHBondContact O-CD2 2.8Å; L75-Y78 PolarHBondContact O-N 3.07Å; A76-Y78 PolarHBondContact O-N 3.29Å; Y78-S82 PolarHBondContact O-N 3.42Å; Y78-S82 VanDerWaalsContact O-N 3.1Å; Y78-S82 PolarHBondContact O-OG 3.41Å
79F90.7Very high89.1Confident34 Ų3476.3 Ų76.315%0.14939%0.389CS..Hα-helixtrans-66.4-44.5176.3175.8-111.7000111.7L20 M24 L52 L59 V60 L75 A76 P77 S82 F83L20-F79 HydrophobicContact CD1-CE2 4.41Å; L20-F79 HydrophobicContact CD1-CZ 4.14Å; L20-F79 HydrophobicContact CD2-CE2 3.87Å; L20-F79 HydrophobicContact CD2-CZ 3.62Å; L20-F79 HydrophobicContact CG-CZ 4.28Å; M24-F79 HydrophobicContact CE-CE2 4.29Å; M24-F79 HydrophobicContact CE-CZ 3.93Å; M24-F79 HydrophobicContact SD-CE1 4.33Å; M24-F79 HydrophobicContact SD-CE2 4.38Å; M24-F79 HydrophobicContact SD-CZ 3.57Å; M24-F79 VanDerWaalsContact SD-CZ 3.57Å; L52-F79 HydrophobicContact CD1-CD1 4.17Å; L52-F79 HydrophobicContact CD1-CE1 3.47Å; L52-F79 VanDerWaalsContact CD1-CE1 3.47Å; L52-F79 HydrophobicContact CD1-CZ 4.06Å; L59-F79 HydrophobicContact CD1-CE1 4.1Å; L59-F79 HydrophobicContact CD1-CZ 4.47Å; V60-F79 HydrophobicContact CG2-CB 4.06Å; V60-F79 HydrophobicContact CG2-CD1 4.04Å; V60-F79 HydrophobicContact CG2-CG 4.1Å; L75-F79 WeakPolarHBondContact O-CB 3.32Å; L75-F79 PolarHBondContact O-N 2.83Å; A76-F79 WeakPolarHBondContact O-CB 3.3Å; A76-F79 PolarHBondContact O-N 3.19Å; A76-F79 VanDerWaalsContact O-N 3.17Å; P77-F79 VanDerWaalsContact C-N 3.27Å; P77-F79 PolarHBondContact O-N 3.08Å; F79-S82 WeakPolarHBondContact O-CB 3.43Å; F79-S82 PolarHBondContact O-N 2.94Å; F79-F83 AromaticContact CD2-CE2 3.89Å; F79-F83 HydrophobicContact CD2-CE2 3.89Å; F79-F83 HydrophobicContact CE1-CE2 4.36Å; F79-F83 AromaticContact CE2-CE2 3.47Å; F79-F83 HydrophobicContact CE2-CE2 3.47Å; F79-F83 VanDerWaalsContact CE2-CE2 3.47Å; F79-F83 AromaticContact CE2-CZ 3.84Å; F79-F83 HydrophobicContact CE2-CZ 3.84Å; F79-F83 HydrophobicContact CG-CE2 4.47Å; F79-F83 AromaticContact CZ-CE2 3.73Å; F79-F83 HydrophobicContact CZ-CE2 3.73Å; F79-F83 HydrophobicContact CZ-CZ 4.12Å; F79-F83 WeakPolarHBondContact O-CD2 3.44Å; F79-F83 WeakPolarHBondContact O-CE2 3.45Å
80E91.7Very high88.8Confident39 Ų3971.4 Ų71.418%0.18237%0.368CS..Hα-helixtrans-58.7-50.7175.1-70.9165.1-158.700111.8L52 K53 S56 A76 P77 S82 F83L52-E80 HydrophobicContact CG-CG 4.5Å; K53-E80 HydrophobicContact CG-CG 4.15Å; S56-E80 WeakPolarHBondContact CB-OE1 3.4Å; S56-E80 PolarHBondContact OG-OE1 3.07Å; A76-E80 WeakPolarHBondContact O-CG 3.28Å; A76-E80 PolarHBondContact O-N 3.27Å; P77-E80 PolarHBondContact O-N 3.11Å; E80-S82 PolarHBondContact O-N 3.18Å; E80-F83 PolarHBondContact O-N 3.48Å
81D86.7Confident88.3Confident112 Ų11269.9 Ų69.960%0.59936%0.356SS*.Hα-helixtrans-68.1-18.8-178.1-76.7-22.2000112.8P77 F83 G84P77-D81 WeakPolarHBondContact O-CB 3.49Å; P77-D81 PolarHBondContact O-N 2.9Å; D81-F83 PolarHBondContact O-N 2.91Å; D81-G84 PolarHBondContact O-N 3.25Å; D81-G84 VanDerWaalsContact O-N 3.16Å
82S86.8Confident87.4Confident86 Ų8669.6 Ų69.660%0.60136%0.356SS*.THydrogen-bonded Turntrans-65-20.5175.8-65.20000113.1Y78 F79 E80Y78-S82 PolarHBondContact O-N 3.42Å; Y78-S82 VanDerWaalsContact O-N 3.1Å; Y78-S82 PolarHBondContact O-OG 3.41Å; F79-S82 WeakPolarHBondContact O-CB 3.43Å; F79-S82 PolarHBondContact O-N 2.94Å; E80-S82 PolarHBondContact O-N 3.18Å
83F87.7Confident85.8Confident60 Ų6073.7 Ų73.726%0.26338%0.38SS..THydrogen-bonded Turntrans-96.44178.2-62.6-88.1000113.3M24 F45 W48 L52 F79 E80 D81 Y91M24-F83 HydrophobicContact CE-CE1 3.9Å; M24-F83 HydrophobicContact CE-CE2 4.32Å; M24-F83 HydrophobicContact CE-CZ 3.41Å; M24-F83 VanDerWaalsContact CE-CZ 3.41Å; M24-F83 HydrophobicContact SD-CE1 4Å; M24-F83 HydrophobicContact SD-CE2 3.98Å; M24-F83 HydrophobicContact SD-CZ 3.53Å; M24-F83 VanDerWaalsContact SD-CZ 3.53Å; F45-F83 WeakPolarHBondContact CZ-O 3.44Å; W48-F83 HydrophobicContact CH2-CB 4.13Å; W48-F83 AromaticContact CH2-CD1 3.63Å; W48-F83 HydrophobicContact CH2-CD1 3.63Å; W48-F83 HydrophobicContact CH2-CD2 4.45Å; W48-F83 HydrophobicContact CH2-CE1 4.17Å; W48-F83 AromaticContact CH2-CG 3.8Å; W48-F83 HydrophobicContact CH2-CG 3.8Å; W48-F83 HydrophobicContact CZ3-CB 3.93Å; W48-F83 HydrophobicContact CZ3-CD1 4.27Å; W48-F83 HydrophobicContact CZ3-CG 4.11Å; L52-F83 HydrophobicContact CD2-CB 4.04Å; L52-F83 HydrophobicContact CD2-CD2 3.53Å; L52-F83 HydrophobicContact CD2-CE2 4.28Å; L52-F83 HydrophobicContact CD2-CG 3.96Å; F79-F83 AromaticContact CD2-CE2 3.89Å; F79-F83 HydrophobicContact CD2-CE2 3.89Å; F79-F83 HydrophobicContact CE1-CE2 4.36Å; F79-F83 AromaticContact CE2-CE2 3.47Å; F79-F83 HydrophobicContact CE2-CE2 3.47Å; F79-F83 VanDerWaalsContact CE2-CE2 3.47Å; F79-F83 AromaticContact CE2-CZ 3.84Å; F79-F83 HydrophobicContact CE2-CZ 3.84Å; F79-F83 HydrophobicContact CG-CE2 4.47Å; F79-F83 AromaticContact CZ-CE2 3.73Å; F79-F83 HydrophobicContact CZ-CE2 3.73Å; F79-F83 HydrophobicContact CZ-CZ 4.12Å; F79-F83 WeakPolarHBondContact O-CD2 3.44Å; F79-F83 WeakPolarHBondContact O-CE2 3.45Å; E80-F83 PolarHBondContact O-N 3.48Å; D81-F83 PolarHBondContact O-N 2.91Å; F83-Y91 CarbonylContact O-C 3.59Å
84G86.3Confident83.8Confident13 Ų1371.7 Ų71.713%0.13438%0.381CS..  trans101.5-142.6174.100000114.2D81 D90 G92D81-G84 PolarHBondContact O-N 3.25Å; D81-G84 VanDerWaalsContact O-N 3.16Å; G84-D90 CarbonylContact C-O 3.39Å; G84-D90 VanDerWaalsContact CA-O 3.23Å; G84-D90 WeakPolarHBondContact CA-O 3.34Å; G84-G92 VanDerWaalsContact CA-N 3.33Å
85N87.2Confident81.8Confident62 Ų6273.9 Ų73.933%0.33239%0.391SS..BIsolated β-bridgetrans-139.8113-168.3-172.2-84.7000112.4T87 R88 I89 D90N85-T87 VanDerWaalsContact C-N 3.31Å; N85-T87 PolarHBondContact O-N 3Å; N85-T87 WeakPolarHBondContact OD1-CB 3.19Å; N85-T87 PolarHBondContact OD1-N 2.63Å; N85-R88 HydrophobicContact CB-CB 4.43Å; N85-R88 PolarHBondContact O-N 3.49Å; N85-R88 PolarHBondContact OD1-N 2.9Å; N85-I89 WeakPolarHBondContact O-CA 3.36Å; N85-I89 PolarHBondContact O-N 3.23Å; N85-D90 HydrophobicContact CB-CB 4.45Å; N85-D90 PolarHBondContact N-O 3.36Å; N85-D90 PolarHBondContact O-N 2.76Å; N85-D90 VanDerWaalsContact O-N 3.15Å
86A89.3Confident80.1Confident10 Ų1075.9 Ų75.98%0.08340%0.398CS..THydrogen-bonded Turntrans-63.7-29.9-178.400000114.7R46 E49R46-A86 HydrophobicContact CG-CB 4.19Å; R46-A86 WeakPolarHBondContact CG-O 3.44Å; R46-A86 PolarHBondContact NE-O 3.41Å; E49-A86 HydrophobicContact CB-CB 4.01Å; E49-A86 HydrophobicContact CG-CB 3.97Å; E49-A86 VanDerWaalsContact OE1-CB 3.24Å; E49-A86 WeakPolarHBondContact OE1-CB 3.31Å; E49-A86 WeakPolarHBondContact OE2-CB 2.78Å
87T87.7Confident78.8Confident114 Ų11486.3 Ų86.370%0.69944%0.437SS*.THydrogen-bonded Turntrans-65.9-49.3177.7-57.80000110.2R46 N85R46-T87 PolarHBondContact NH2-O 3.27Å; R46-T87 VanDerWaalsContact NH2-O 3.14Å; N85-T87 VanDerWaalsContact C-N 3.31Å; N85-T87 PolarHBondContact O-N 3Å; N85-T87 WeakPolarHBondContact OD1-CB 3.19Å; N85-T87 PolarHBondContact OD1-N 2.63Å
88R85.2Confident78.2Confident184 Ų18484.6 Ų84.669%0.69442%0.424SS*.THydrogen-bonded Turntrans-81.1-13.1179.1-70177.854.9-171.3-13.6114N85 D90N85-R88 HydrophobicContact CB-CB 4.43Å; N85-R88 PolarHBondContact O-N 3.49Å; N85-R88 PolarHBondContact OD1-N 2.9Å; R88-D90 HydrophobicContact CB-CB 4.13Å; R88-D90 IonicContact CZ-OD2 2.92Å; R88-D90 IonicContact NH2-OD2 2.65Å; R88-D90 PolarHBondContact NH2-OD2 3.12Å; R88-D90 PolarHBondContact O-N 3.35Å
89I84.5Confident78.1Confident18 Ų1883.1 Ų83.19%0.09242%0.423CS..THydrogen-bonded Turntrans52.944.4-170.4-44.8176.2000109.7F43 F45 N85 Y91F43-I89 HydrophobicContact CD1-CD1 3.46Å; F43-I89 VanDerWaalsContact CD1-CD1 3.46Å; F43-I89 HydrophobicContact CE1-CD1 3.6Å; F45-I89 HydrophobicContact CB-CG2 4.28Å; F45-I89 HydrophobicContact CD1-CB 4.47Å; F45-I89 HydrophobicContact CD1-CG2 3.93Å; F45-I89 HydrophobicContact CG-CG2 4.48Å; N85-I89 WeakPolarHBondContact O-CA 3.36Å; N85-I89 PolarHBondContact O-N 3.23Å; I89-Y91 HydrophobicContact CG2-CE1 4.12Å
90D80.6Confident78.1Confident55 Ų5581.7 Ų81.729%0.29442%0.417SS..BIsolated β-bridgetrans-98.3122.8177.1-160.32.2000107.1G84 N85 R88 G92G84-D90 CarbonylContact C-O 3.39Å; G84-D90 VanDerWaalsContact CA-O 3.23Å; G84-D90 WeakPolarHBondContact CA-O 3.34Å; N85-D90 HydrophobicContact CB-CB 4.45Å; N85-D90 PolarHBondContact N-O 3.36Å; N85-D90 PolarHBondContact O-N 2.76Å; N85-D90 VanDerWaalsContact O-N 3.15Å; R88-D90 HydrophobicContact CB-CB 4.13Å; R88-D90 IonicContact CZ-OD2 2.92Å; R88-D90 IonicContact NH2-OD2 2.65Å; R88-D90 PolarHBondContact NH2-OD2 3.12Å; R88-D90 PolarHBondContact O-N 3.35Å; D90-G92 PolarHBondContact O-N 3.16Å; D90-G92 VanDerWaalsContact O-N 3.17Å
91Y79.5Confident78.1Confident130 Ų13082.5 Ų82.551%0.5143%0.427SS..  trans-87.429.9-174.2-52.7-60.2000112.8G41 N42 F45 F83 I89G41-Y91 WeakPolarHBondContact CA-OH 3.22Å; N42-Y91 PolarHBondContact N-OH 3.24Å; F45-Y91 HydrophobicContact CB-CE1 3.76Å; F45-Y91 HydrophobicContact CD1-CD1 4.07Å; F45-Y91 AromaticContact CD1-CE1 3.86Å; F45-Y91 HydrophobicContact CD1-CE1 3.86Å; F45-Y91 AromaticContact CD2-CD1 3.68Å; F45-Y91 HydrophobicContact CD2-CD1 3.68Å; F45-Y91 AromaticContact CD2-CE1 3.66Å; F45-Y91 HydrophobicContact CD2-CE1 3.66Å; F45-Y91 HydrophobicContact CE1-CD1 4.1Å; F45-Y91 HydrophobicContact CE1-CE1 4.35Å; F45-Y91 AromaticContact CE2-CD1 3.74Å; F45-Y91 HydrophobicContact CE2-CD1 3.74Å; F45-Y91 HydrophobicContact CE2-CE1 4.21Å; F45-Y91 AromaticContact CG-CD1 3.86Å; F45-Y91 HydrophobicContact CG-CD1 3.86Å; F45-Y91 AromaticContact CG-CE1 3.47Å; F45-Y91 HydrophobicContact CG-CE1 3.47Å; F45-Y91 VanDerWaalsContact CG-CE1 3.47Å; F45-Y91 AromaticContact CZ-CD1 3.95Å; F45-Y91 HydrophobicContact CZ-CD1 3.95Å; F83-Y91 CarbonylContact O-C 3.59Å; I89-Y91 HydrophobicContact CG2-CE1 4.12Å
92G70Confident78.3Confident15 Ų1577.8 Ų77.816%0.15540%0.403CS..SBendtrans103.7-172.2-169.100000111.4G84 D90 G94G84-G92 VanDerWaalsContact CA-N 3.33Å; D90-G92 PolarHBondContact O-N 3.16Å; D90-G92 VanDerWaalsContact O-N 3.17Å; G92-G94 PolarHBondContact O-N 2.87Å
93T58.5Low78.6Confident91 Ų9173.7 Ų73.756%0.55837%0.374SS*.  trans-63.781.8173.540.20000109.3H95 E96T93-H95 PolarHBondContact O-N 3.27Å; T93-E96 PolarHBondContact O-N 3.08Å; T93-E96 VanDerWaalsContact O-N 3.16Å; T93-E96 PolarHBondContact OG1-OE1 2.6Å
94G51.4Low78.9Confident62 Ų6272.4 Ų72.464%0.63937%0.371SS*.THydrogen-bonded Turntrans-57.75.6-179.900000115.4G92G92-G94 PolarHBondContact O-N 2.87Å
95H47.2Very low79.3Confident171 Ų17177.3 Ų77.379%0.79239%0.391SS*.THydrogen-bonded Turntrans-82.6-12.1174.6-63.289000114T93T93-H95 PolarHBondContact O-N 3.27Å
96E56.3Low79.6Confident121 Ų12179 Ų7957%0.56540%0.395SS*.  trans-90.4-15-177.4-66.2170.9-144.900113.9T93 L98T93-E96 PolarHBondContact O-N 3.08Å; T93-E96 VanDerWaalsContact O-N 3.16Å; T93-E96 PolarHBondContact OG1-OE1 2.6Å; E96-L98 PolarHBondContact O-N 3.38Å
97R66.8Low79.8Confident221 Ų22186.5 Ų86.583%0.83443%0.426SS*.  trans-76.278177.1-166.1178.5-110.8-178.9-1.5109.2E99R97-E99 PolarHBondContact O-N 3.08Å; R97-E99 VanDerWaalsContact O-N 3.16Å
98L79.8Confident80Confident26 Ų2682.1 Ų82.114%0.13640%0.399CS..  trans-53.1119.5166.8-69.7166000107.8E96 S102 T108 F112 Y116 M119 W149E96-L98 PolarHBondContact O-N 3.38Å; L98-S102 WeakPolarHBondContact CD2-OG 3.49Å; L98-T108 HydrophobicContact CD2-CG2 3.36Å; L98-F112 HydrophobicContact CD1-CB 4.38Å; L98-F112 HydrophobicContact CD1-CD1 4.04Å; L98-F112 HydrophobicContact CD1-CD2 4.14Å; L98-F112 HydrophobicContact CD1-CE1 4.31Å; L98-F112 HydrophobicContact CD1-CE2 4.44Å; L98-F112 HydrophobicContact CD1-CG 3.93Å; L98-F112 HydrophobicContact CD1-CZ 4.5Å; L98-F112 HydrophobicContact CD2-CD2 3.72Å; L98-F112 HydrophobicContact CD2-CE2 3.65Å; L98-F112 HydrophobicContact CD2-CG 4.36Å; L98-F112 HydrophobicContact CD2-CZ 4.23Å; L98-F112 HydrophobicContact CG-CD2 4.43Å; L98-F112 HydrophobicContact CG-CE2 4.34Å; L98-F112 HydrophobicContact CG-CZ 4.47Å; L98-Y116 HydrophobicContact CD1-CD2 4.09Å; L98-Y116 HydrophobicContact CD1-CE2 3.81Å; L98-M119 HydrophobicContact CB-CE 4.36Å; L98-M119 HydrophobicContact CD1-CE 3.74Å; L98-M119 HydrophobicContact CD2-CE 4.02Å; L98-M119 HydrophobicContact CG-CE 4.26Å; L98-W149 VanDerWaalsContact O-CD1 3.31Å; L98-W149 PolarHBondContact O-NE1 2.65Å
99E86.5Confident80.3Confident121 Ų12173.3 Ų73.357%0.56537%0.366SS*.  trans-85.6156.2168.4-66.5-176.6170.700109.6R97 S101 S102R97-E99 PolarHBondContact O-N 3.08Å; R97-E99 VanDerWaalsContact O-N 3.16Å; E99-S101 PolarHBondContact O-N 2.67Å; E99-S101 VanDerWaalsContact O-N 3.16Å; E99-S102 WeakPolarHBondContact O-CB 3.24Å; E99-S102 PolarHBondContact O-N 3.03Å; E99-S102 PolarHBondContact O-OG 3.13Å
100P89.4Confident80.8Confident4 Ų481 Ų813%0.02639%0.394CS..G310 helixtrans-52.3-34.8172.6-31.139.2000113.6S102 Y103 S144 V146 W149 M152P100-S102 PolarHBondContact O-N 3.25Å; P100-S102 VanDerWaalsContact O-N 3.12Å; P100-Y103 HydrophobicContact CB-CE1 4.37Å; P100-Y103 WeakPolarHBondContact O-CD1 3.43Å; P100-Y103 WeakPolarHBondContact O-CE1 3.33Å; P100-S144 CarbonylContact C-O 3.52Å; P100-V146 WeakPolarHBondContact CB-O 3.44Å; P100-V146 WeakPolarHBondContact CG-O 3.38Å; P100-W149 HydrophobicContact CG-CD2 3.98Å; P100-W149 HydrophobicContact CG-CE3 4.45Å; P100-W149 HydrophobicContact CG-CG 4.16Å; P100-M152 HydrophobicContact CB-CE 3.77Å; P100-M152 HydrophobicContact CG-CE 4.34Å
101S92.9Very high81.3Confident57 Ų5782.2 Ų82.240%0.39940%0.403SS..G310 helixtrans-62-22.4175.763.30000113.5E99 S144E99-S101 PolarHBondContact O-N 2.67Å; E99-S101 VanDerWaalsContact O-N 3.16Å; S101-S144 WeakPolarHBondContact CA-O 3.42Å; S101-S144 PolarHBondContact N-O 3.4Å
102S91.4Very high81.7Confident13 Ų1377.5 Ų77.59%0.09139%0.385CS..G310 helixtrans-76.2-29.1-170.775.10000114.4L98 E99 P100 V104 Q105 T108L98-S102 WeakPolarHBondContact CD2-OG 3.49Å; E99-S102 WeakPolarHBondContact O-CB 3.24Å; E99-S102 PolarHBondContact O-N 3.03Å; E99-S102 PolarHBondContact O-OG 3.13Å; P100-S102 PolarHBondContact O-N 3.25Å; P100-S102 VanDerWaalsContact O-N 3.12Å; S102-V104 PolarHBondContact O-N 2.99Å; S102-Q105 WeakPolarHBondContact O-CB 3.4Å; S102-Q105 PolarHBondContact O-N 3.43Å; S102-Q105 VanDerWaalsContact O-N 3.08Å; S102-T108 WeakPolarHBondContact O-CB 3.48Å
103Y92.5Very high82.7Confident0 Ų077.4 Ų77.40%038%0.383CS..G310 helixtrans-70-20.6-177.765.6-105.6000112.9P100 Q105 F118 I122 F133 L140 I143 S144 W149 M152P100-Y103 HydrophobicContact CB-CE1 4.37Å; P100-Y103 WeakPolarHBondContact O-CD1 3.43Å; P100-Y103 WeakPolarHBondContact O-CE1 3.33Å; Y103-Q105 PolarHBondContact O-N 3.44Å; Y103-F118 AromaticContact CD1-CE1 3.58Å; Y103-F118 HydrophobicContact CD1-CE1 3.58Å; Y103-F118 HydrophobicContact CD1-CZ 4.25Å; Y103-F118 HydrophobicContact CD2-CE1 4.12Å; Y103-F118 HydrophobicContact CD2-CZ 4.39Å; Y103-F118 AromaticContact CE1-CE1 3.96Å; Y103-F118 HydrophobicContact CE1-CE1 3.96Å; Y103-F118 HydrophobicContact CE1-CZ 4.2Å; Y103-F118 HydrophobicContact CE2-CZ 4.42Å; Y103-F118 AromaticContact CG-CE1 3.65Å; Y103-F118 HydrophobicContact CG-CE1 3.65Å; Y103-F118 HydrophobicContact CG-CZ 4.33Å; Y103-I122 HydrophobicContact CD2-CD1 4.2Å; Y103-I122 HydrophobicContact CD2-CG1 4.15Å; Y103-I122 HydrophobicContact CD2-CG2 4.45Å; Y103-I122 HydrophobicContact CG-CG1 4.48Å; Y103-I122 VanDerWaalsContact O-CG2 3.24Å; Y103-I122 WeakPolarHBondContact O-CG2 3.25Å; Y103-F133 HydrophobicContact CE2-CE1 4.31Å; Y103-L140 WeakPolarHBondContact CE2-O 3.21Å; Y103-L140 PolarHBondContact OH-O 3.43Å; Y103-I143 VanDerWaalsContact OH-CG1 3.24Å; Y103-I143 WeakPolarHBondContact OH-CG1 3.45Å; Y103-S144 WeakPolarHBondContact OH-CA 3.16Å; Y103-S144 VanDerWaalsContact OH-CB 3.25Å; Y103-S144 WeakPolarHBondContact OH-CB 3.4Å; Y103-S144 PolarHBondContact OH-N 3.32Å; Y103-W149 AromaticContact CD1-CH2 3.44Å; Y103-W149 HydrophobicContact CD1-CH2 3.44Å; Y103-W149 VanDerWaalsContact CD1-CH2 3.44Å; Y103-W149 HydrophobicContact CD1-CZ2 4.05Å; Y103-W149 HydrophobicContact CD1-CZ3 4.28Å; Y103-W149 AromaticContact CE1-CH2 3.88Å; Y103-W149 HydrophobicContact CE1-CH2 3.88Å; Y103-W149 HydrophobicContact CE1-CZ3 4.31Å; Y103-W149 HydrophobicContact CG-CH2 4.48Å; Y103-M152 HydrophobicContact CE1-CE 4.13Å
104V94.5Very high84.2Confident33 Ų3381 Ų8120%0.240%0.399CS..G310 helixtrans-62.7-25.7174.1-179.30000110.8S102 K106 F133 S144S102-V104 PolarHBondContact O-N 2.99Å; V104-K106 PolarHBondContact O-N 2.79Å; V104-F133 HydrophobicContact CB-CD1 4.44Å; V104-F133 HydrophobicContact CG1-CB 3.92Å; V104-F133 HydrophobicContact CG1-CD1 3.93Å; V104-F133 HydrophobicContact CG1-CG 4.1Å; V104-F133 HydrophobicContact CG2-CD1 4.2Å; V104-F133 HydrophobicContact CG2-CE1 4.36Å; V104-S144 VanDerWaalsContact CG2-CB 3.49Å
105Q93.5Very high85.8Confident116 Ų11684 Ų8454%0.54240%0.396SS..SBendtrans-77.3117.3178.2-55.6176.517.200110.5S102 Y103 K107 T108 A109S102-Q105 WeakPolarHBondContact O-CB 3.4Å; S102-Q105 PolarHBondContact O-N 3.43Å; S102-Q105 VanDerWaalsContact O-N 3.08Å; Y103-Q105 PolarHBondContact O-N 3.44Å; Q105-K107 PolarHBondContact O-N 3.24Å; Q105-K107 VanDerWaalsContact O-N 3.13Å; Q105-T108 PolarHBondContact O-N 2.93Å; Q105-T108 VanDerWaalsContact O-N 3.08Å; Q105-T108 PolarHBondContact OE1-OG1 3.16Å; Q105-A109 PolarHBondContact O-N 3.39Å
106K94.4Very high87.7Confident98 Ų9880.9 Ų80.943%0.42638%0.378SS..Hα-helixtrans-53.9-37.2-179.1-60.2-167.4179.2-173.80113.1V104 R110 N126 G131V104-K106 PolarHBondContact O-N 2.79Å; K106-R110 WeakPolarHBondContact O-CB 3.35Å; K106-R110 PolarHBondContact O-N 3.29Å; K106-R110 VanDerWaalsContact O-N 3.08Å; K106-N126 HydrophobicContact CD-CB 4.45Å; K106-N126 VanDerWaalsContact CE-OD1 3.32Å; K106-N126 WeakPolarHBondContact CE-OD1 3.44Å; K106-N126 HydrophobicContact CG-CB 4.4Å; K106-G131 PolarHBondContact NZ-O 2.9Å
107K93.5Very high89.2Confident166 Ų16679.1 Ų79.172%0.72237%0.371SS*.Hα-helixtrans-64.7-50.4178.1-175.1179.8177-175.80111.1Q105 R110 T111Q105-K107 PolarHBondContact O-N 3.24Å; Q105-K107 VanDerWaalsContact O-N 3.13Å; K107-R110 PolarHBondContact O-N 2.77Å; K107-T111 WeakPolarHBondContact O-CB 3.5Å; K107-T111 PolarHBondContact O-N 2.87Å; K107-T111 PolarHBondContact O-OG1 3.18Å; K107-T111 VanDerWaalsContact O-OG1 3.08Å
108T91Very high90.4Very high22 Ų2270 Ų7014%0.13534%0.337CS..Hα-helixtrans-59.7-50.5179.1-53.50000111.1L98 S102 Q105 R110 T111 F112L98-T108 HydrophobicContact CD2-CG2 3.36Å; S102-T108 WeakPolarHBondContact O-CB 3.48Å; Q105-T108 PolarHBondContact O-N 2.93Å; Q105-T108 VanDerWaalsContact O-N 3.08Å; Q105-T108 PolarHBondContact OE1-OG1 3.16Å; T108-R110 VanDerWaalsContact C-N 3.28Å; T108-R110 PolarHBondContact O-N 3.17Å; T108-T111 PolarHBondContact O-N 3.28Å; T108-F112 HydrophobicContact CG2-CD2 3.85Å; T108-F112 HydrophobicContact CG2-CE2 4.2Å; T108-F112 WeakPolarHBondContact O-CD2 3.48Å; T108-F112 PolarHBondContact O-N 2.75Å
109A91.3Very high91Very high0 Ų068.9 Ų68.90%033%0.332CS..Hα-helixtrans-56-43.2177.400000112Q105 A113 I122Q105-A109 PolarHBondContact O-N 3.39Å; A109-A113 WeakPolarHBondContact O-CB 3.35Å; A109-A113 PolarHBondContact O-N 3.02Å; A109-I122 HydrophobicContact CB-CB 4.16Å; A109-I122 HydrophobicContact CB-CG2 3.69Å
110R94.8Very high91.3Very high179 Ų17965 Ų6568%0.67532%0.32SS*.Hα-helixtrans-65.6-45.9176.4-178.2-178.8178-176.7-0.1112.7K106 K107 T108 F112 A113K106-R110 WeakPolarHBondContact O-CB 3.35Å; K106-R110 PolarHBondContact O-N 3.29Å; K106-R110 VanDerWaalsContact O-N 3.08Å; K107-R110 PolarHBondContact O-N 2.77Å; T108-R110 VanDerWaalsContact C-N 3.28Å; T108-R110 PolarHBondContact O-N 3.17Å; R110-F112 VanDerWaalsContact C-N 3.26Å; R110-F112 PolarHBondContact O-N 3.25Å; R110-A113 PolarHBondContact O-N 3.04Å
111T91.4Very high91.6Very high80 Ų8066.6 Ų66.649%0.49133%0.331SS..Hα-helixtrans-60.2-39.5-178.8-67.30000111.5K107 T108K107-T111 WeakPolarHBondContact O-CB 3.5Å; K107-T111 PolarHBondContact O-N 2.87Å; K107-T111 PolarHBondContact O-OG1 3.18Å; K107-T111 VanDerWaalsContact O-OG1 3.08Å; T108-T111 PolarHBondContact O-N 3.28Å
112F88.8Confident91.7Very high32 Ų3263.9 Ų63.914%0.1431%0.312CS..Hα-helixtrans-1003.3-173.9-72.2-74.8000114.1L98 T108 R110 N114 Q115 Y116 M119L98-F112 HydrophobicContact CD1-CB 4.38Å; L98-F112 HydrophobicContact CD1-CD1 4.04Å; L98-F112 HydrophobicContact CD1-CD2 4.14Å; L98-F112 HydrophobicContact CD1-CE1 4.31Å; L98-F112 HydrophobicContact CD1-CE2 4.44Å; L98-F112 HydrophobicContact CD1-CG 3.93Å; L98-F112 HydrophobicContact CD1-CZ 4.5Å; L98-F112 HydrophobicContact CD2-CD2 3.72Å; L98-F112 HydrophobicContact CD2-CE2 3.65Å; L98-F112 HydrophobicContact CD2-CG 4.36Å; L98-F112 HydrophobicContact CD2-CZ 4.23Å; L98-F112 HydrophobicContact CG-CD2 4.43Å; L98-F112 HydrophobicContact CG-CE2 4.34Å; L98-F112 HydrophobicContact CG-CZ 4.47Å; T108-F112 HydrophobicContact CG2-CD2 3.85Å; T108-F112 HydrophobicContact CG2-CE2 4.2Å; T108-F112 WeakPolarHBondContact O-CD2 3.48Å; T108-F112 PolarHBondContact O-N 2.75Å; R110-F112 VanDerWaalsContact C-N 3.26Å; R110-F112 PolarHBondContact O-N 3.25Å; F112-N114 VanDerWaalsContact C-N 3.27Å; F112-N114 PolarHBondContact O-N 3.08Å; F112-Q115 PolarHBondContact O-N 3.03Å; F112-Y116 HydrophobicContact CB-CD2 4.04Å; F112-Y116 HydrophobicContact CD1-CD2 4.13Å; F112-Y116 AromaticContact CD1-CE2 3.76Å; F112-Y116 HydrophobicContact CD1-CE2 3.76Å; F112-Y116 HydrophobicContact CE1-CE2 4.44Å; F112-Y116 HydrophobicContact CG-CD2 4.47Å; F112-Y116 HydrophobicContact CG-CE2 4.47Å; F112-Y116 PolarHBondContact O-N 3.08Å; F112-M119 HydrophobicContact CB-CB 4.05Å; F112-M119 HydrophobicContact CB-CG 3.84Å
113A91.1Very high91.9Very high13 Ų1366.1 Ų66.111%0.10732%0.321CS..THydrogen-bonded Turntrans-58.4-34.6-178.300000113.7A109 R110 Q115 A120 H123A109-A113 WeakPolarHBondContact O-CB 3.35Å; A109-A113 PolarHBondContact O-N 3.02Å; R110-A113 PolarHBondContact O-N 3.04Å; A113-Q115 VanDerWaalsContact C-N 3.34Å; A113-A120 WeakPolarHBondContact O-CB 3.37Å; A113-H123 HydrophobicContact CB-CB 3.93Å
114N89.8Confident92.1Very high165 Ų16571.6 Ų71.688%0.88235%0.346SS*.THydrogen-bonded Turntrans-82.9-10.9179.5-65.8-35.7000113.5F112F112-N114 VanDerWaalsContact C-N 3.27Å; F112-N114 PolarHBondContact O-N 3.08Å
115Q85.1Confident92.2Very high126 Ų12670.7 Ų70.759%0.58934%0.34SS*.THydrogen-bonded Turntrans-102.5-37.7-177.4-63.8-178.832.800111.9F112 A113F112-Q115 PolarHBondContact O-N 3.03Å; A113-Q115 VanDerWaalsContact C-N 3.34Å
116Y86.6Confident92.3Very high105 Ų10566.2 Ų66.241%0.41232%0.32SS..  trans-126.6125.4-175.4-55.3-80.2000111.4L98 F112 F118 M119 A120L98-Y116 HydrophobicContact CD1-CD2 4.09Å; L98-Y116 HydrophobicContact CD1-CE2 3.81Å; F112-Y116 HydrophobicContact CB-CD2 4.04Å; F112-Y116 HydrophobicContact CD1-CD2 4.13Å; F112-Y116 AromaticContact CD1-CE2 3.76Å; F112-Y116 HydrophobicContact CD1-CE2 3.76Å; F112-Y116 HydrophobicContact CE1-CE2 4.44Å; F112-Y116 HydrophobicContact CG-CD2 4.47Å; F112-Y116 HydrophobicContact CG-CE2 4.47Å; F112-Y116 PolarHBondContact O-N 3.08Å; Y116-F118 VanDerWaalsContact C-N 3.25Å; Y116-F118 PolarHBondContact O-N 3.03Å; Y116-M119 HydrophobicContact CD2-CG 4.43Å; Y116-M119 WeakPolarHBondContact O-CA 3.22Å; Y116-M119 WeakPolarHBondContact O-CB 3.49Å; Y116-M119 PolarHBondContact O-N 3.06Å; Y116-A120 PolarHBondContact O-N 3.25Å
117M88.9Confident92.3Very high85 Ų8565.5 Ų65.542%0.41932%0.324SS..Hα-helixtrans-55.5-40.4179-178.5175.36000112.3M119 A120 C121 M240M117-M119 VanDerWaalsContact C-N 3.34Å; M117-M119 PolarHBondContact O-N 3.46Å; M117-A120 VanDerWaalsContact O-CB 3.31Å; M117-A120 WeakPolarHBondContact O-CB 3.36Å; M117-A120 PolarHBondContact O-N 3.39Å; M117-C121 PolarHBondContact O-N 3.25Å; M117-C121 PolarHBondContact O-SG 3.45Å; M117-C121 VanDerWaalsContact O-SG 3.35Å; M117-M240 HydrophobicContact CE-CB 3.65Å; M117-M240 HydrophobicContact CE-CE 4.25Å; M117-M240 HydrophobicContact CE-CG 4.39Å; M117-M240 HydrophobicContact SD-CB 4.48Å
118F91Very high92.4Very high28 Ų2861.9 Ų61.912%0.12332%0.315CS..Hα-helixtrans-58.7-46.3175.4-174.5-107.7000111.8Y103 Y116 A120 C121 I122 L140 W149 M240 L244Y103-F118 AromaticContact CD1-CE1 3.58Å; Y103-F118 HydrophobicContact CD1-CE1 3.58Å; Y103-F118 HydrophobicContact CD1-CZ 4.25Å; Y103-F118 HydrophobicContact CD2-CE1 4.12Å; Y103-F118 HydrophobicContact CD2-CZ 4.39Å; Y103-F118 AromaticContact CE1-CE1 3.96Å; Y103-F118 HydrophobicContact CE1-CE1 3.96Å; Y103-F118 HydrophobicContact CE1-CZ 4.2Å; Y103-F118 HydrophobicContact CE2-CZ 4.42Å; Y103-F118 AromaticContact CG-CE1 3.65Å; Y103-F118 HydrophobicContact CG-CE1 3.65Å; Y103-F118 HydrophobicContact CG-CZ 4.33Å; Y116-F118 VanDerWaalsContact C-N 3.25Å; Y116-F118 PolarHBondContact O-N 3.03Å; F118-A120 VanDerWaalsContact C-N 3.3Å; F118-A120 PolarHBondContact O-N 3.38Å; F118-C121 WeakPolarHBondContact O-CB 3.49Å; F118-C121 PolarHBondContact O-N 3.22Å; F118-I122 HydrophobicContact CD1-CG1 4.16Å; F118-I122 HydrophobicContact CE1-CD1 4.25Å; F118-I122 HydrophobicContact CE1-CG1 3.76Å; F118-I122 HydrophobicContact CE2-CD1 4.28Å; F118-I122 HydrophobicContact CE2-CG1 4.4Å; F118-I122 HydrophobicContact CZ-CD1 3.89Å; F118-I122 HydrophobicContact CZ-CG1 3.91Å; F118-I122 WeakPolarHBondContact O-CG1 3.27Å; F118-I122 PolarHBondContact O-N 3.49Å; F118-L140 HydrophobicContact CE2-CD2 4.47Å; F118-L140 HydrophobicContact CZ-CD2 4.44Å; F118-W149 AromaticContact CD1-CH2 3.83Å; F118-W149 HydrophobicContact CD1-CH2 3.83Å; F118-W149 HydrophobicContact CD1-CZ3 4.12Å; F118-W149 AromaticContact CE1-CH2 3.67Å; F118-W149 HydrophobicContact CE1-CH2 3.67Å; F118-W149 AromaticContact CE1-CZ3 3.94Å; F118-W149 HydrophobicContact CE1-CZ3 3.94Å; F118-M240 HydrophobicContact CB-CE 3.99Å; F118-M240 HydrophobicContact CD2-CE 4.22Å; F118-L244 HydrophobicContact CE2-CD2 4.34Å
119M92.7Very high92.6Very high4 Ų463.5 Ų63.52%0.0232%0.321CS..Hα-helixtrans-66.1-33.4177.4-65.2-60.8-171.700111.8L98 F112 Y116 M117 I122 H123 W149L98-M119 HydrophobicContact CB-CE 4.36Å; L98-M119 HydrophobicContact CD1-CE 3.74Å; L98-M119 HydrophobicContact CD2-CE 4.02Å; L98-M119 HydrophobicContact CG-CE 4.26Å; F112-M119 HydrophobicContact CB-CB 4.05Å; F112-M119 HydrophobicContact CB-CG 3.84Å; Y116-M119 HydrophobicContact CD2-CG 4.43Å; Y116-M119 WeakPolarHBondContact O-CA 3.22Å; Y116-M119 WeakPolarHBondContact O-CB 3.49Å; Y116-M119 PolarHBondContact O-N 3.06Å; M117-M119 VanDerWaalsContact C-N 3.34Å; M117-M119 PolarHBondContact O-N 3.46Å; M119-I122 PolarHBondContact O-N 3.32Å; M119-H123 VanDerWaalsContact O-CB 3.25Å; M119-H123 WeakPolarHBondContact O-CB 3.21Å; M119-H123 PolarHBondContact O-N 3.16Å; M119-W149 HydrophobicContact CE-CZ2 4.38Å
120A91.8Very high92.7Very high38 Ų3870.3 Ų70.331%0.31436%0.361SS..Hα-helixtrans-60.4-45.7171.800000111.5A113 Y116 M117 F118 H123 H124A113-A120 WeakPolarHBondContact O-CB 3.37Å; Y116-A120 PolarHBondContact O-N 3.25Å; M117-A120 VanDerWaalsContact O-CB 3.31Å; M117-A120 WeakPolarHBondContact O-CB 3.36Å; M117-A120 PolarHBondContact O-N 3.39Å; F118-A120 VanDerWaalsContact C-N 3.3Å; F118-A120 PolarHBondContact O-N 3.38Å; A120-H123 PolarHBondContact O-N 3.45Å; A120-H124 WeakPolarHBondContact O-CB 3.49Å; A120-H124 PolarHBondContact O-N 2.88Å
121C96.5Very high92.6Very high38 Ų3863.2 Ų63.226%0.25734%0.344SS..Hα-helixtrans-63.5-45.4176-64.80000112.1M117 F118 H123 H124 I125 L244M117-C121 PolarHBondContact O-N 3.25Å; M117-C121 PolarHBondContact O-SG 3.45Å; M117-C121 VanDerWaalsContact O-SG 3.35Å; F118-C121 WeakPolarHBondContact O-CB 3.49Å; F118-C121 PolarHBondContact O-N 3.22Å; C121-H123 VanDerWaalsContact C-N 3.34Å; C121-H123 PolarHBondContact O-N 3.15Å; C121-H124 PolarHBondContact O-N 2.98Å; C121-I125 WeakPolarHBondContact O-CG1 3.36Å; C121-I125 PolarHBondContact O-N 3.36Å; C121-L244 HydrophobicContact CB-CD1 3.44Å; C121-L244 VanDerWaalsContact CB-CD1 3.44Å; C121-L244 VanDerWaalsContact SG-CD1 3.56Å
122I94.9Very high92.8Very high0 Ų062.8 Ų62.80%034%0.343CS..Hα-helixtrans-64.5-39.2176.6-61.6-54.1000111.5Y103 A109 F118 M119 I125 N126 F133 L140Y103-I122 HydrophobicContact CD2-CD1 4.2Å; Y103-I122 HydrophobicContact CD2-CG1 4.15Å; Y103-I122 HydrophobicContact CD2-CG2 4.45Å; Y103-I122 HydrophobicContact CG-CG1 4.48Å; Y103-I122 VanDerWaalsContact O-CG2 3.24Å; Y103-I122 WeakPolarHBondContact O-CG2 3.25Å; A109-I122 HydrophobicContact CB-CB 4.16Å; A109-I122 HydrophobicContact CB-CG2 3.69Å; F118-I122 HydrophobicContact CD1-CG1 4.16Å; F118-I122 HydrophobicContact CE1-CD1 4.25Å; F118-I122 HydrophobicContact CE1-CG1 3.76Å; F118-I122 HydrophobicContact CE2-CD1 4.28Å; F118-I122 HydrophobicContact CE2-CG1 4.4Å; F118-I122 HydrophobicContact CZ-CD1 3.89Å; F118-I122 HydrophobicContact CZ-CG1 3.91Å; F118-I122 WeakPolarHBondContact O-CG1 3.27Å; F118-I122 PolarHBondContact O-N 3.49Å; M119-I122 PolarHBondContact O-N 3.32Å; I122-I125 HydrophobicContact CD1-CD1 4.18Å; I122-I125 PolarHBondContact O-N 3.16Å; I122-N126 PolarHBondContact O-N 3.31Å; I122-N126 VanDerWaalsContact O-N 3.08Å; I122-N126 PolarHBondContact O-ND2 3.24Å; I122-F133 HydrophobicContact CD1-CZ 4.19Å; I122-F133 HydrophobicContact CG2-CE2 4.11Å; I122-F133 HydrophobicContact CG2-CZ 4.43Å; I122-L140 HydrophobicContact CD1-CD1 3.99Å; I122-L140 HydrophobicContact CD1-CD2 4.35Å
123H95.6Very high93.1Very high60 Ų6061.7 Ų61.728%0.27834%0.338SS..Hα-helixtrans-60.2-48173.6177.646.5000110.4A113 M119 A120 C121 I125 N126 T127A113-H123 HydrophobicContact CB-CB 3.93Å; M119-H123 VanDerWaalsContact O-CB 3.25Å; M119-H123 WeakPolarHBondContact O-CB 3.21Å; M119-H123 PolarHBondContact O-N 3.16Å; A120-H123 PolarHBondContact O-N 3.45Å; C121-H123 VanDerWaalsContact C-N 3.34Å; C121-H123 PolarHBondContact O-N 3.15Å; H123-I125 PolarHBondContact O-N 3.25Å; H123-N126 CarbonylContact O-C 3.38Å; H123-N126 WeakPolarHBondContact O-CA 3.42Å; H123-N126 WeakPolarHBondContact O-CB 3.48Å; H123-N126 PolarHBondContact O-N 2.85Å; H123-T127 WeakPolarHBondContact O-CG2 3.4Å; H123-T127 PolarHBondContact O-N 3.06Å; H123-T127 VanDerWaalsContact O-N 3.07Å
124H96.6Very high93.3Very high116 Ų11662.7 Ų62.754%0.53735%0.346SS..Hα-helixtrans-58.9-44.5177.2-17660.6000112.3A120 C121 N126 T127 V128A120-H124 WeakPolarHBondContact O-CB 3.49Å; A120-H124 PolarHBondContact O-N 2.88Å; C121-H124 PolarHBondContact O-N 2.98Å; H124-N126 VanDerWaalsContact C-N 3.27Å; H124-N126 PolarHBondContact O-N 2.89Å; H124-T127 PolarHBondContact ND1-OG1 3.18Å; H124-T127 WeakPolarHBondContact O-CA 3.42Å; H124-T127 WeakPolarHBondContact O-CB 3.42Å; H124-T127 PolarHBondContact O-N 3.36Å; H124-T127 PolarHBondContact O-OG1 3.32Å; H124-V128 PolarHBondContact O-N 3.3Å; H124-V128 VanDerWaalsContact O-N 3.11Å
125I96.4Very high93.6Very high13 Ų1362.3 Ų62.37%0.06734%0.339CS..Hα-helixtrans-53.2-46.4173-72.6169.3000110.9C121 I122 H123 T127 V128 K129 F133 L140C121-I125 WeakPolarHBondContact O-CG1 3.36Å; C121-I125 PolarHBondContact O-N 3.36Å; I122-I125 HydrophobicContact CD1-CD1 4.18Å; I122-I125 PolarHBondContact O-N 3.16Å; H123-I125 PolarHBondContact O-N 3.25Å; I125-T127 PolarHBondContact O-N 3.21Å; I125-V128 PolarHBondContact O-N 3.49Å; I125-K129 HydrophobicContact CG2-CD 4.14Å; I125-K129 HydrophobicContact CG2-CG 4.46Å; I125-K129 WeakPolarHBondContact O-CB 3.46Å; I125-K129 PolarHBondContact O-N 3.41Å; I125-F133 HydrophobicContact CG2-CE2 4.1Å; I125-L140 HydrophobicContact CD1-CD1 3.58Å
126N95.4Very high94.1Very high22 Ų2258 Ų5812%0.11832%0.319CS..Hα-helixtrans-68.6-15.9178-74.2-61.2000113.9K106 I122 H123 H124K106-N126 HydrophobicContact CD-CB 4.45Å; K106-N126 VanDerWaalsContact CE-OD1 3.32Å; K106-N126 WeakPolarHBondContact CE-OD1 3.44Å; K106-N126 HydrophobicContact CG-CB 4.4Å; I122-N126 PolarHBondContact O-N 3.31Å; I122-N126 VanDerWaalsContact O-N 3.08Å; I122-N126 PolarHBondContact O-ND2 3.24Å; H123-N126 CarbonylContact O-C 3.38Å; H123-N126 WeakPolarHBondContact O-CA 3.42Å; H123-N126 WeakPolarHBondContact O-CB 3.48Å; H123-N126 PolarHBondContact O-N 2.85Å; H124-N126 VanDerWaalsContact C-N 3.27Å; H124-N126 PolarHBondContact O-N 2.89Å
127T95.2Very high94.5Very high83 Ų8353.4 Ų53.451%0.50930%0.302SS..Hα-helixtrans-84-29.4171.768.40000113.1H123 H124 I125H123-T127 WeakPolarHBondContact O-CG2 3.4Å; H123-T127 PolarHBondContact O-N 3.06Å; H123-T127 VanDerWaalsContact O-N 3.07Å; H124-T127 PolarHBondContact ND1-OG1 3.18Å; H124-T127 WeakPolarHBondContact O-CA 3.42Å; H124-T127 WeakPolarHBondContact O-CB 3.42Å; H124-T127 PolarHBondContact O-N 3.36Å; H124-T127 PolarHBondContact O-OG1 3.32Å; I125-T127 PolarHBondContact O-N 3.21Å
128V96.1Very high94.8Very high90 Ų9053.5 Ų53.555%0.54530%0.304SS..Hα-helixtrans-102.7-18.9-176.4-57.40000113.8H124 I125H124-V128 PolarHBondContact O-N 3.3Å; H124-V128 VanDerWaalsContact O-N 3.11Å; I125-V128 PolarHBondContact O-N 3.49Å
129K95.3Very high94.8Very high57 Ų5755.7 Ų55.725%0.24832%0.315CS..  trans-115.4131.4177-58.7-170.4176.6-177.60110.7I125 H136I125-K129 HydrophobicContact CG2-CD 4.14Å; I125-K129 HydrophobicContact CG2-CG 4.46Å; I125-K129 WeakPolarHBondContact O-CB 3.46Å; I125-K129 PolarHBondContact O-N 3.41Å; K129-H136 HydrophobicContact CB-CB 4.28Å; K129-H136 HydrophobicContact CD-CB 3.91Å; K129-H136 WeakPolarHBondContact CD-ND1 3.44Å; K129-H136 PolarHBondContact NZ-O 3.42Å
130V92.8Very high94.9Very high142 Ų14255.7 Ų55.786%0.86132%0.315SS*.  trans-106.8146179.8-176.70000109.3
131G93.3Very high95.1Very high30 Ų3059.2 Ų59.231%0.30932%0.32SS..SBendtrans111-172.9-178.700000113.9K106K106-G131 PolarHBondContact NZ-O 2.9Å
132P93.9Very high95Very high71 Ų7161.8 Ų61.846%0.46133%0.331SS..  trans-63.8136.5172.2-21.334.6000112.1A134 E135 H136P132-A134 VanDerWaalsContact C-N 3.27Å; P132-A134 PolarHBondContact O-N 3.49Å; P132-E135 HydrophobicContact CB-CG 4.18Å; P132-E135 WeakPolarHBondContact CD-OE2 3.41Å; P132-E135 HydrophobicContact CG-CG 4.39Å; P132-E135 PolarHBondContact O-N 3.26Å; P132-E135 VanDerWaalsContact O-N 3.09Å; P132-H136 PolarHBondContact O-CD2 2.77Å; P132-H136 VanDerWaalsContact O-CD2 3.31Å
133F95.7Very high94.9Very high10 Ų1063.4 Ų63.44%0.04434%0.339CS..Hα-helixtrans-60.2-35.8-174.4-169.7-93.1000113.5Y103 V104 I122 I125 E135 H136 S137 L140 W141Y103-F133 HydrophobicContact CE2-CE1 4.31Å; V104-F133 HydrophobicContact CB-CD1 4.44Å; V104-F133 HydrophobicContact CG1-CB 3.92Å; V104-F133 HydrophobicContact CG1-CD1 3.93Å; V104-F133 HydrophobicContact CG1-CG 4.1Å; V104-F133 HydrophobicContact CG2-CD1 4.2Å; V104-F133 HydrophobicContact CG2-CE1 4.36Å; I122-F133 HydrophobicContact CD1-CZ 4.19Å; I122-F133 HydrophobicContact CG2-CE2 4.11Å; I122-F133 HydrophobicContact CG2-CZ 4.43Å; I125-F133 HydrophobicContact CG2-CE2 4.1Å; F133-E135 VanDerWaalsContact C-N 3.26Å; F133-E135 PolarHBondContact O-N 2.91Å; F133-H136 AromaticContact CD2-CE1 3.54Å; F133-H136 PolarHBondContact O-N 2.9Å; F133-S137 WeakPolarHBondContact O-CA 3.05Å; F133-S137 WeakPolarHBondContact O-CB 3.28Å; F133-S137 PolarHBondContact O-N 3.46Å; F133-L140 HydrophobicContact CE1-CB 3.77Å; F133-L140 HydrophobicContact CZ-CB 3.88Å; F133-L140 HydrophobicContact CZ-CD1 4.19Å; F133-W141 HydrophobicContact CD1-CB 4.07Å; F133-W141 HydrophobicContact CE1-CB 4.35Å
134A95.4Very high94.8Very high34 Ų3461.2 Ų61.228%0.28133%0.331SS..Hα-helixtrans-62.7-30.8178.500000113.3P132 N138 W141P132-A134 VanDerWaalsContact C-N 3.27Å; P132-A134 PolarHBondContact O-N 3.49Å; A134-N138 WeakPolarHBondContact O-CA 3.34Å; A134-W141 HydrophobicContact CB-CB 4.29Å; A134-W141 HydrophobicContact CB-CD2 3.65Å; A134-W141 HydrophobicContact CB-CE3 4.26Å; A134-W141 HydrophobicContact CB-CG 3.63Å
135E95.6Very high94.6Very high156 Ų15658.9 Ų58.973%0.72934%0.339SS*.Hα-helixtrans-76.1-37.4-177-67.1178.7-171.800111.9P132 F133P132-E135 HydrophobicContact CB-CG 4.18Å; P132-E135 WeakPolarHBondContact CD-OE2 3.41Å; P132-E135 HydrophobicContact CG-CG 4.39Å; P132-E135 PolarHBondContact O-N 3.26Å; P132-E135 VanDerWaalsContact O-N 3.09Å; F133-E135 VanDerWaalsContact C-N 3.26Å; F133-E135 PolarHBondContact O-N 2.91Å
136H95.6Very high94.2Very high36 Ų3660.2 Ų60.217%0.16735%0.347CS..Hα-helixtrans-105.5-10.9-17270.754.2000114.4K129 P132 F133K129-H136 HydrophobicContact CB-CB 4.28Å; K129-H136 HydrophobicContact CD-CB 3.91Å; K129-H136 WeakPolarHBondContact CD-ND1 3.44Å; K129-H136 PolarHBondContact NZ-O 3.42Å; P132-H136 PolarHBondContact O-CD2 2.77Å; P132-H136 VanDerWaalsContact O-CD2 3.31Å; F133-H136 AromaticContact CD2-CE1 3.54Å; F133-H136 PolarHBondContact O-N 2.9Å
137S95.7Very high93.7Very high8 Ų864.1 Ų64.16%0.05637%0.374CS..  trans-142.549.7-177.1-66.80000110.8F133 Q139 L140 W141F133-S137 WeakPolarHBondContact O-CA 3.05Å; F133-S137 WeakPolarHBondContact O-CB 3.28Å; F133-S137 PolarHBondContact O-N 3.46Å; S137-Q139 PolarHBondContact O-N 2.93Å; S137-L140 PolarHBondContact O-N 2.77Å; S137-W141 PolarHBondContact O-N 2.91Å
138N94.5Very high93.1Very high87 Ų8762.4 Ų62.447%0.46537%0.365SS..Hα-helixtrans-56.2-41.7-171.8-171.319000113.5A134 W141 N142A134-N138 WeakPolarHBondContact O-CA 3.34Å; N138-W141 WeakPolarHBondContact O-CB 3.38Å; N138-W141 PolarHBondContact O-N 3.3Å; N138-N142 VanDerWaalsContact O-CG 3.32Å; N138-N142 PolarHBondContact O-N 2.88Å; N138-N142 PolarHBondContact O-ND2 2.87Å; N138-N142 PolarHBondContact OD1-ND2 3.25Å
139Q92.1Very high92.6Very high75 Ų7562.2 Ų62.235%0.3536%0.355SS..Hα-helixtrans-66.6-43.4-179.9-45.1-169.32800112S137 W141 N142 I143 Y246 L247 Q248S137-Q139 PolarHBondContact O-N 2.93Å; Q139-W141 VanDerWaalsContact C-N 3.27Å; Q139-W141 PolarHBondContact O-N 3.16Å; Q139-N142 PolarHBondContact O-N 3.12Å; Q139-I143 PolarHBondContact O-N 2.92Å; Q139-I143 VanDerWaalsContact O-N 3.15Å; Q139-Y246 PolarHBondContact OE1-O 3.21Å; Q139-L247 HydrophobicContact CB-CB 4.29Å; Q139-L247 HydrophobicContact CB-CD2 3.94Å; Q139-L247 VanDerWaalsContact CB-O 3.29Å; Q139-L247 WeakPolarHBondContact CB-O 3.19Å; Q139-L247 VanDerWaalsContact CD-O 3.32Å; Q139-L247 WeakPolarHBondContact CG-O 3.41Å; Q139-Q248 PolarHBondContact NE2-OXT 3.24Å
140L94.1Very high92Very high3 Ų365.9 Ų65.92%0.01637%0.373CS..Hα-helixtrans-62.8-34.9172.6-71.8169.1000111.6Y103 F118 I122 I125 F133 S137 I143 S144 L244 L247Y103-L140 WeakPolarHBondContact CE2-O 3.21Å; Y103-L140 PolarHBondContact OH-O 3.43Å; F118-L140 HydrophobicContact CE2-CD2 4.47Å; F118-L140 HydrophobicContact CZ-CD2 4.44Å; I122-L140 HydrophobicContact CD1-CD1 3.99Å; I122-L140 HydrophobicContact CD1-CD2 4.35Å; I125-L140 HydrophobicContact CD1-CD1 3.58Å; F133-L140 HydrophobicContact CE1-CB 3.77Å; F133-L140 HydrophobicContact CZ-CB 3.88Å; F133-L140 HydrophobicContact CZ-CD1 4.19Å; S137-L140 PolarHBondContact O-N 2.77Å; L140-I143 HydrophobicContact CD2-CD1 4.27Å; L140-I143 WeakPolarHBondContact O-CG1 3.36Å; L140-S144 PolarHBondContact O-N 2.9Å; L140-L244 HydrophobicContact CD1-CD2 4.3Å; L140-L244 HydrophobicContact CD2-CD2 3.89Å; L140-L247 HydrophobicContact CD2-CB 4.46Å; L140-L247 HydrophobicContact CD2-CD1 3.83Å; L140-L247 HydrophobicContact CG-CB 4.43Å
141W95.8Very high91.6Very high113 Ų11365.2 Ų65.243%0.42836%0.358SS..Hα-helixtrans-68.9-42.7175.2-177.578000111.8F133 A134 S137 N138 Q139 I143 S144F133-W141 HydrophobicContact CD1-CB 4.07Å; F133-W141 HydrophobicContact CE1-CB 4.35Å; A134-W141 HydrophobicContact CB-CB 4.29Å; A134-W141 HydrophobicContact CB-CD2 3.65Å; A134-W141 HydrophobicContact CB-CE3 4.26Å; A134-W141 HydrophobicContact CB-CG 3.63Å; S137-W141 PolarHBondContact O-N 2.91Å; N138-W141 WeakPolarHBondContact O-CB 3.38Å; N138-W141 PolarHBondContact O-N 3.3Å; Q139-W141 VanDerWaalsContact C-N 3.27Å; Q139-W141 PolarHBondContact O-N 3.16Å; W141-I143 PolarHBondContact O-N 2.96Å; W141-S144 VanDerWaalsContact O-CB 3.24Å; W141-S144 WeakPolarHBondContact O-CB 3.38Å; W141-S144 PolarHBondContact O-N 3.23Å; W141-S144 PolarHBondContact O-OG 3.23Å
142N94.4Very high91.2Very high91 Ų9164.3 Ų64.349%0.48735%0.346SS..Hα-helixtrans-60.6-44178.6-74.8-35.6000112.3N138 Q139 S144 G145N138-N142 VanDerWaalsContact O-CG 3.32Å; N138-N142 PolarHBondContact O-N 2.88Å; N138-N142 PolarHBondContact O-ND2 2.87Å; N138-N142 PolarHBondContact OD1-ND2 3.25Å; Q139-N142 PolarHBondContact O-N 3.12Å; N142-S144 PolarHBondContact O-N 3.35Å; N142-G145 PolarHBondContact O-N 2.91Å
143I93.1Very high90.9Very high34 Ų3465.7 Ų65.717%0.17435%0.35CS..Hα-helixtrans-71.2-13179.470.4178.1000112.7Y103 Q139 L140 W141 G145 V146 M152 L247Y103-I143 VanDerWaalsContact OH-CG1 3.24Å; Y103-I143 WeakPolarHBondContact OH-CG1 3.45Å; Q139-I143 PolarHBondContact O-N 2.92Å; Q139-I143 VanDerWaalsContact O-N 3.15Å; L140-I143 HydrophobicContact CD2-CD1 4.27Å; L140-I143 WeakPolarHBondContact O-CG1 3.36Å; W141-I143 PolarHBondContact O-N 2.96Å; I143-G145 PolarHBondContact O-N 3.11Å; I143-V146 HydrophobicContact CB-CG2 4.49Å; I143-V146 WeakPolarHBondContact O-CB 3.25Å; I143-V146 VanDerWaalsContact O-CG2 3.27Å; I143-V146 WeakPolarHBondContact O-CG2 3.47Å; I143-V146 PolarHBondContact O-N 3.03Å; I143-V146 VanDerWaalsContact O-N 3.09Å; I143-M152 HydrophobicContact CB-CE 4.07Å; I143-M152 HydrophobicContact CD1-CE 4.24Å; I143-M152 HydrophobicContact CD1-SD 4.14Å; I143-M152 HydrophobicContact CG1-CE 3.94Å; I143-M152 HydrophobicContact CG1-SD 4.49Å; I143-M152 WeakPolarHBondContact O-CE 3.37Å; I143-L247 HydrophobicContact CD1-CD1 3.93Å
144S93.4Very high90.3Very high15 Ų1570 Ų7011%0.10537%0.37CS..THydrogen-bonded Turntrans-67.6-19.8175.278.80000112.6P100 S101 Y103 V104 L140 W141 N142 V146P100-S144 CarbonylContact C-O 3.52Å; S101-S144 WeakPolarHBondContact CA-O 3.42Å; S101-S144 PolarHBondContact N-O 3.4Å; Y103-S144 WeakPolarHBondContact OH-CA 3.16Å; Y103-S144 VanDerWaalsContact OH-CB 3.25Å; Y103-S144 WeakPolarHBondContact OH-CB 3.4Å; Y103-S144 PolarHBondContact OH-N 3.32Å; V104-S144 VanDerWaalsContact CG2-CB 3.49Å; L140-S144 PolarHBondContact O-N 2.9Å; W141-S144 VanDerWaalsContact O-CB 3.24Å; W141-S144 WeakPolarHBondContact O-CB 3.38Å; W141-S144 PolarHBondContact O-N 3.23Å; W141-S144 PolarHBondContact O-OG 3.23Å; N142-S144 PolarHBondContact O-N 3.35Å; S144-V146 VanDerWaalsContact C-N 3.27Å; S144-V146 PolarHBondContact O-N 3.08Å
145G92.9Very high89.9Confident67 Ų6769.3 Ų69.369%0.69137%0.366SS*.THydrogen-bonded Turntrans-78.9-2.5173.500000114.5N142 I143N142-G145 PolarHBondContact O-N 2.91Å; I143-G145 PolarHBondContact O-N 3.11Å
146V88.7Confident89.5Confident40 Ų4063.8 Ų63.824%0.24234%0.341CS..SBendtrans-70.7134.2175.6177.70000109.4P100 I143 S144 S148 K151 M152P100-V146 WeakPolarHBondContact CB-O 3.44Å; P100-V146 WeakPolarHBondContact CG-O 3.38Å; I143-V146 HydrophobicContact CB-CG2 4.49Å; I143-V146 WeakPolarHBondContact O-CB 3.25Å; I143-V146 VanDerWaalsContact O-CG2 3.27Å; I143-V146 WeakPolarHBondContact O-CG2 3.47Å; I143-V146 PolarHBondContact O-N 3.03Å; I143-V146 VanDerWaalsContact O-N 3.09Å; S144-V146 VanDerWaalsContact C-N 3.27Å; S144-V146 PolarHBondContact O-N 3.08Å; V146-S148 VanDerWaalsContact C-N 3.3Å; V146-S148 PolarHBondContact O-N 2.94Å; V146-K151 HydrophobicContact CG1-CB 3.91Å; V146-K151 HydrophobicContact CG1-CD 4.3Å; V146-K151 HydrophobicContact CG1-CG 4.06Å; V146-M152 HydrophobicContact CB-CE 4.42Å; V146-M152 HydrophobicContact CG1-CB 4.14Å
147P85.1Confident89.2Confident104 Ų10466.2 Ų66.268%0.67536%0.355SS*.SBendtrans-69.2-22.3-169.926-36.9000114.7K151P147-K151 HydrophobicContact CG-CD 4.24Å
148S82Confident88.8Confident47 Ų4774.7 Ų74.733%0.32939%0.386SS..  trans-146.8150.5-178.173.30000112.5V146 Q150 K151 M152V146-S148 VanDerWaalsContact C-N 3.3Å; V146-S148 PolarHBondContact O-N 2.94Å; S148-Q150 PolarHBondContact O-N 3.27Å; S148-K151 PolarHBondContact O-N 2.7Å; S148-K151 PolarHBondContact OG-N 2.65Å; S148-M152 PolarHBondContact O-N 2.66Å
149W85.2Confident88.4Confident87 Ų8775.1 Ų75.133%0.3339%0.386SS..Hα-helixtrans-60.6-34.6172.7-70.4109.9000112.8L98 P100 Y103 F118 M119 M152 N153L98-W149 VanDerWaalsContact O-CD1 3.31Å; L98-W149 PolarHBondContact O-NE1 2.65Å; P100-W149 HydrophobicContact CG-CD2 3.98Å; P100-W149 HydrophobicContact CG-CE3 4.45Å; P100-W149 HydrophobicContact CG-CG 4.16Å; Y103-W149 AromaticContact CD1-CH2 3.44Å; Y103-W149 HydrophobicContact CD1-CH2 3.44Å; Y103-W149 VanDerWaalsContact CD1-CH2 3.44Å; Y103-W149 HydrophobicContact CD1-CZ2 4.05Å; Y103-W149 HydrophobicContact CD1-CZ3 4.28Å; Y103-W149 AromaticContact CE1-CH2 3.88Å; Y103-W149 HydrophobicContact CE1-CH2 3.88Å; Y103-W149 HydrophobicContact CE1-CZ3 4.31Å; Y103-W149 HydrophobicContact CG-CH2 4.48Å; F118-W149 AromaticContact CD1-CH2 3.83Å; F118-W149 HydrophobicContact CD1-CH2 3.83Å; F118-W149 HydrophobicContact CD1-CZ3 4.12Å; F118-W149 AromaticContact CE1-CH2 3.67Å; F118-W149 HydrophobicContact CE1-CH2 3.67Å; F118-W149 AromaticContact CE1-CZ3 3.94Å; F118-W149 HydrophobicContact CE1-CZ3 3.94Å; M119-W149 HydrophobicContact CE-CZ2 4.38Å; W149-M152 HydrophobicContact CE3-CE 4.43Å; W149-M152 HydrophobicContact CE3-SD 3.74Å; W149-M152 HydrophobicContact CZ3-CE 4.3Å; W149-M152 HydrophobicContact CZ3-SD 3.63Å; W149-M152 PolarHBondContact O-N 3.29Å; W149-N153 VanDerWaalsContact O-CB 3.28Å; W149-N153 WeakPolarHBondContact O-CB 3.33Å; W149-N153 PolarHBondContact O-N 3.11Å
150Q83.7Confident88.1Confident134 Ų13473.8 Ų73.863%0.62638%0.378SS*.Hα-helixtrans-59-50.6176.8-179.3-177.8-6.100111.1S148 M152 N153 E154S148-Q150 PolarHBondContact O-N 3.27Å; Q150-M152 VanDerWaalsContact C-N 3.32Å; Q150-M152 PolarHBondContact O-N 3.02Å; Q150-N153 PolarHBondContact O-N 3.41Å; Q150-E154 HydrophobicContact CG-CG 4.46Å; Q150-E154 VanDerWaalsContact CG-OE1 3.3Å; Q150-E154 WeakPolarHBondContact CG-OE1 3.4Å; Q150-E154 PolarHBondContact NE2-OE1 2.69Å; Q150-E154 WeakPolarHBondContact O-CB 3.39Å; Q150-E154 WeakPolarHBondContact O-CG 3.37Å; Q150-E154 PolarHBondContact O-N 2.64Å
151K84.1Confident87.6Confident127 Ų12776.6 Ų76.655%0.55239%0.392SS*.Hα-helixtrans-65-37.6-179.6-172.9171.3-176172.90112V146 P147 S148 G155V146-K151 HydrophobicContact CG1-CB 3.91Å; V146-K151 HydrophobicContact CG1-CD 4.3Å; V146-K151 HydrophobicContact CG1-CG 4.06Å; P147-K151 HydrophobicContact CG-CD 4.24Å; S148-K151 PolarHBondContact O-N 2.7Å; S148-K151 PolarHBondContact OG-N 2.65Å; K151-G155 PolarHBondContact O-N 3.15Å; K151-G155 VanDerWaalsContact O-N 3.08Å
152M84.7Confident86.9Confident12 Ų1272.4 Ų72.46%0.05939%0.385CS..Hα-helixtrans-61.6-49.8173.1-179.7-175.9-6700110.9P100 Y103 I143 V146 S148 W149 Q150 G155 L156P100-M152 HydrophobicContact CB-CE 3.77Å; P100-M152 HydrophobicContact CG-CE 4.34Å; Y103-M152 HydrophobicContact CE1-CE 4.13Å; I143-M152 HydrophobicContact CB-CE 4.07Å; I143-M152 HydrophobicContact CD1-CE 4.24Å; I143-M152 HydrophobicContact CD1-SD 4.14Å; I143-M152 HydrophobicContact CG1-CE 3.94Å; I143-M152 HydrophobicContact CG1-SD 4.49Å; I143-M152 WeakPolarHBondContact O-CE 3.37Å; V146-M152 HydrophobicContact CB-CE 4.42Å; V146-M152 HydrophobicContact CG1-CB 4.14Å; S148-M152 PolarHBondContact O-N 2.66Å; W149-M152 HydrophobicContact CE3-CE 4.43Å; W149-M152 HydrophobicContact CE3-SD 3.74Å; W149-M152 HydrophobicContact CZ3-CE 4.3Å; W149-M152 HydrophobicContact CZ3-SD 3.63Å; W149-M152 PolarHBondContact O-N 3.29Å; Q150-M152 VanDerWaalsContact C-N 3.32Å; Q150-M152 PolarHBondContact O-N 3.02Å; M152-G155 PolarHBondContact O-N 3.3Å; M152-L156 HydrophobicContact CG-CD1 3.78Å; M152-L156 HydrophobicContact CG-CG 4.34Å; M152-L156 WeakPolarHBondContact O-CG 3.23Å; M152-L156 PolarHBondContact O-N 2.96Å; M152-L156 HydrophobicContact SD-CD1 4.43Å
153N86.8Confident86.4Confident100 Ų10072.5 Ų72.554%0.53538%0.382SS..Hα-helixtrans-62.1-45.7-179.7-178.268.1000112.2W149 Q150 G155 L156 L157W149-N153 VanDerWaalsContact O-CB 3.28Å; W149-N153 WeakPolarHBondContact O-CB 3.33Å; W149-N153 PolarHBondContact O-N 3.11Å; Q150-N153 PolarHBondContact O-N 3.41Å; N153-G155 VanDerWaalsContact C-N 3.3Å; N153-G155 PolarHBondContact O-N 3.19Å; N153-L156 PolarHBondContact O-N 3.42Å; N153-L157 WeakPolarHBondContact O-CB 3.28Å; N153-L157 PolarHBondContact O-N 2.99Å
154E84.5Confident85.7Confident101 Ų10172.4 Ų72.447%0.47238%0.383SS..Hα-helixtrans-58.5-43175.3-73.8169.9-174.200111.7Q150 R158Q150-E154 HydrophobicContact CG-CG 4.46Å; Q150-E154 VanDerWaalsContact CG-OE1 3.3Å; Q150-E154 WeakPolarHBondContact CG-OE1 3.4Å; Q150-E154 PolarHBondContact NE2-OE1 2.69Å; Q150-E154 WeakPolarHBondContact O-CB 3.39Å; Q150-E154 WeakPolarHBondContact O-CG 3.37Å; Q150-E154 PolarHBondContact O-N 2.64Å; E154-R158 VanDerWaalsContact O-CB 3.22Å; E154-R158 WeakPolarHBondContact O-CB 3.35Å; E154-R158 PolarHBondContact O-N 3.34Å
155G86.2Confident85Confident19 Ų1974 Ų7420%0.19639%0.39CS..Hα-helixtrans-61.6-53.217600000112.5K151 M152 N153 R158 M159K151-G155 PolarHBondContact O-N 3.15Å; K151-G155 VanDerWaalsContact O-N 3.08Å; M152-G155 PolarHBondContact O-N 3.3Å; N153-G155 VanDerWaalsContact C-N 3.3Å; N153-G155 PolarHBondContact O-N 3.19Å; G155-R158 PolarHBondContact O-N 3.43Å; G155-M159 WeakPolarHBondContact O-CG 3.37Å; G155-M159 PolarHBondContact O-N 3.1Å
156L87.7Confident84.3Confident40 Ų4076.7 Ų76.721%0.20939%0.385CS..Hα-helixtrans-64.8-42.2-179-68.3174.5000112M152 N153 M159 Y160 V243 L247M152-L156 HydrophobicContact CG-CD1 3.78Å; M152-L156 HydrophobicContact CG-CG 4.34Å; M152-L156 WeakPolarHBondContact O-CG 3.23Å; M152-L156 PolarHBondContact O-N 2.96Å; M152-L156 HydrophobicContact SD-CD1 4.43Å; N153-L156 PolarHBondContact O-N 3.42Å; L156-M159 PolarHBondContact O-N 3.17Å; L156-Y160 WeakPolarHBondContact O-CB 3.4Å; L156-Y160 PolarHBondContact O-N 2.83Å; L156-V243 HydrophobicContact CD1-CG1 4.1Å; L156-V243 HydrophobicContact CD2-CG1 4.07Å; L156-L247 HydrophobicContact CD2-CD1 4.43Å
157L87.8Confident83.7Confident87 Ų8779.9 Ų79.946%0.45540%0.395SS..Hα-helixtrans-65.1-41.4178.6-176.461.6000111.4N153 Y160 I161N153-L157 WeakPolarHBondContact O-CB 3.28Å; N153-L157 PolarHBondContact O-N 2.99Å; L157-Y160 PolarHBondContact O-N 3.33Å; L157-I161 HydrophobicContact CD1-CD1 4.33Å; L157-I161 HydrophobicContact CD1-CG1 4.5Å; L157-I161 HydrophobicContact CG-CD1 4.02Å; L157-I161 VanDerWaalsContact O-CG1 3.28Å; L157-I161 WeakPolarHBondContact O-CG1 3.42Å; L157-I161 PolarHBondContact O-N 2.81Å
158R87.5Confident82.7Confident186 Ų18679.2 Ų79.270%0.70238%0.382SS*.Hα-helixtrans-62.8-42.5175.1179.1179.555.7164.8-1.3111.8E154 G155 I161 G162E154-R158 VanDerWaalsContact O-CB 3.22Å; E154-R158 WeakPolarHBondContact O-CB 3.35Å; E154-R158 PolarHBondContact O-N 3.34Å; G155-R158 PolarHBondContact O-N 3.43Å; R158-I161 PolarHBondContact O-N 2.81Å; R158-G162 PolarHBondContact O-N 3.32Å
159M87.3Confident81.9Confident96 Ų9680.4 Ų80.447%0.47339%0.389SS..Hα-helixtrans-62.8-45.4174.5-72.5179.568.300111.2G155 L156 I161 G162 E163 Y246G155-M159 WeakPolarHBondContact O-CG 3.37Å; G155-M159 PolarHBondContact O-N 3.1Å; L156-M159 PolarHBondContact O-N 3.17Å; M159-I161 PolarHBondContact O-N 3.15Å; M159-G162 PolarHBondContact O-N 3.25Å; M159-E163 VanDerWaalsContact O-CB 3.32Å; M159-E163 WeakPolarHBondContact O-CB 3.45Å; M159-E163 PolarHBondContact O-N 3.46Å; M159-Y246 HydrophobicContact CE-CE1 4.27Å
160Y85.8Confident80.7Confident46 Ų4679.7 Ų79.718%0.1839%0.394CS..Hα-helixtrans-60.6-43.5177.5-178.9-111.1000112.3L156 L157 V164 L165L156-Y160 WeakPolarHBondContact O-CB 3.4Å; L156-Y160 PolarHBondContact O-N 2.83Å; L157-Y160 PolarHBondContact O-N 3.33Å; Y160-V164 HydrophobicContact CD2-CB 3.81Å; Y160-V164 HydrophobicContact CD2-CG1 4.34Å; Y160-V164 HydrophobicContact CD2-CG2 3.62Å; Y160-V164 HydrophobicContact CE2-CB 3.75Å; Y160-V164 HydrophobicContact CE2-CG1 3.76Å; Y160-V164 HydrophobicContact CE2-CG2 3.85Å; Y160-V164 WeakPolarHBondContact O-CA 3.42Å; Y160-V164 VanDerWaalsContact O-CB 3.24Å; Y160-V164 WeakPolarHBondContact O-CB 3.42Å; Y160-V164 PolarHBondContact O-N 3.16Å; Y160-L165 HydrophobicContact CD1-CD1 3.95Å; Y160-L165 HydrophobicContact CD1-CG 4.04Å; Y160-L165 HydrophobicContact CE1-CD1 3.72Å; Y160-L165 HydrophobicContact CE1-CD2 3.75Å; Y160-L165 HydrophobicContact CE1-CG 3.71Å; Y160-L165 PolarHBondContact O-N 3.21Å; Y160-L165 VanDerWaalsContact O-N 3.12Å
161I83Confident79.4Confident62 Ų6275.6 Ų75.632%0.31838%0.378SS..Iπ-helixtrans-60.9-50176-70.1163.8000110.6L157 R158 M159 L165 Q166L157-I161 HydrophobicContact CD1-CD1 4.33Å; L157-I161 HydrophobicContact CD1-CG1 4.5Å; L157-I161 HydrophobicContact CG-CD1 4.02Å; L157-I161 VanDerWaalsContact O-CG1 3.28Å; L157-I161 WeakPolarHBondContact O-CG1 3.42Å; L157-I161 PolarHBondContact O-N 2.81Å; R158-I161 PolarHBondContact O-N 2.81Å; M159-I161 PolarHBondContact O-N 3.15Å; I161-L165 HydrophobicContact CG1-CD1 4.05Å; I161-L165 PolarHBondContact O-N 3.46Å; I161-Q166 HydrophobicContact CG2-CG 4.03Å; I161-Q166 WeakPolarHBondContact O-CB 3.48Å; I161-Q166 WeakPolarHBondContact O-CG 3.45Å; I161-Q166 PolarHBondContact O-N 3.45Å
162G81.5Confident78Confident26 Ų2674.5 Ų74.527%0.26837%0.374SS..Iπ-helixtrans-71.3-43.3-176.200000114R158 M159 K167R158-G162 PolarHBondContact O-N 3.32Å; M159-G162 PolarHBondContact O-N 3.25Å; G162-K167 WeakPolarHBondContact O-CE 3.39Å
163E84.3Confident76.6Confident93 Ų9380 Ų8044%0.43540%0.4SS..Iπ-helixtrans-89.9-20.8-173.5-63.6-57.4158.100114.1M159 K167M159-E163 VanDerWaalsContact O-CB 3.32Å; M159-E163 WeakPolarHBondContact O-CB 3.45Å; M159-E163 PolarHBondContact O-N 3.46Å; E163-K167 WeakPolarHBondContact O-CG 3.45Å; E163-K167 WeakPolarHBondContact OE2-CE 3.21Å; E163-K167 IonicContact OE2-NZ 2.94Å; E163-K167 PolarHBondContact OE2-NZ 3.18Å
164V77.8Confident74.9Confident32 Ų3279.6 Ų79.619%0.19439%0.394CS..Iπ-helixtrans-116.8-59.8-178.9-172.40000111.1Y160 K167Y160-V164 HydrophobicContact CD2-CB 3.81Å; Y160-V164 HydrophobicContact CD2-CG1 4.34Å; Y160-V164 HydrophobicContact CD2-CG2 3.62Å; Y160-V164 HydrophobicContact CE2-CB 3.75Å; Y160-V164 HydrophobicContact CE2-CG1 3.76Å; Y160-V164 HydrophobicContact CE2-CG2 3.85Å; Y160-V164 WeakPolarHBondContact O-CA 3.42Å; Y160-V164 VanDerWaalsContact O-CB 3.24Å; Y160-V164 WeakPolarHBondContact O-CB 3.42Å; Y160-V164 PolarHBondContact O-N 3.16Å; V164-K167 PolarHBondContact O-N 2.93Å
165L77.7Confident73.3Confident47 Ų4781 Ų8125%0.24641%0.409CS..Iπ-helixtrans-73.7-33.4-170-57.4-178.2000113.3Y160 I161 S225Y160-L165 HydrophobicContact CD1-CD1 3.95Å; Y160-L165 HydrophobicContact CD1-CG 4.04Å; Y160-L165 HydrophobicContact CE1-CD1 3.72Å; Y160-L165 HydrophobicContact CE1-CD2 3.75Å; Y160-L165 HydrophobicContact CE1-CG 3.71Å; Y160-L165 PolarHBondContact O-N 3.21Å; Y160-L165 VanDerWaalsContact O-N 3.12Å; I161-L165 HydrophobicContact CG1-CD1 4.05Å; I161-L165 PolarHBondContact O-N 3.46Å; L165-S225 WeakPolarHBondContact CD2-OG 3.13Å
166Q79.2Confident71.7Confident125 Ų12582.9 Ų82.958%0.58441%0.412SS*.THydrogen-bonded Turntrans-924.9179.3-69.4-177.1-7.700113.5I161 F168I161-Q166 HydrophobicContact CG2-CG 4.03Å; I161-Q166 WeakPolarHBondContact O-CB 3.48Å; I161-Q166 WeakPolarHBondContact O-CG 3.45Å; I161-Q166 PolarHBondContact O-N 3.45Å; Q166-F168 HydrophobicContact CB-CE2 4.49Å; Q166-F168 WeakPolarHBondContact O-CD2 3.49Å; Q166-F168 WeakPolarHBondContact O-CE2 3.29Å
167K75.3Confident70.1Confident107 Ų10782.5 Ų82.547%0.46542%0.417SS..  trans-86.8111.5167-59.5-67.2178164.80108.4G162 E163 V164 P169 S224G162-K167 WeakPolarHBondContact O-CE 3.39Å; E163-K167 WeakPolarHBondContact O-CG 3.45Å; E163-K167 WeakPolarHBondContact OE2-CE 3.21Å; E163-K167 IonicContact OE2-NZ 2.94Å; E163-K167 PolarHBondContact OE2-NZ 3.18Å; V164-K167 PolarHBondContact O-N 2.93Å; K167-P169 VanDerWaalsContact O-CD 3.28Å; K167-P169 WeakPolarHBondContact O-CD 3.24Å; K167-S224 WeakPolarHBondContact O-CB 3.34Å
168F65.3Low68.8Low89 Ų8985.2 Ų85.239%0.3944%0.437SS..  trans-99.9102.9176.8-62.8-98.7000108Q166 V170 S223Q166-F168 HydrophobicContact CB-CE2 4.49Å; Q166-F168 WeakPolarHBondContact O-CD2 3.49Å; Q166-F168 WeakPolarHBondContact O-CE2 3.29Å; F168-V170 PolarHBondContact O-N 3.16Å; F168-S223 VanDerWaalsContact CE1-CB 3.49Å
169P65.1Low67.2Low73 Ų7384.2 Ų84.247%0.47445%0.445SS..  trans-62.2124.1170.425.5-31.3000108.5K167 V171K167-P169 VanDerWaalsContact O-CD 3.28Å; K167-P169 WeakPolarHBondContact O-CD 3.24Å; P169-V171 PolarHBondContact O-N 2.99Å
170V60.4Low65.4Low71 Ų7184.1 Ų84.143%0.4345%0.446SS..EExtended strand (participates in β ladder)trans-78.3108.5173.7-170.20000107.2F168 Q172 F221F168-V170 PolarHBondContact O-N 3.16Å; V170-Q172 HydrophobicContact CB-CG 4.47Å; V170-Q172 HydrophobicContact CG1-CG 3.57Å; V170-F221 HydrophobicContact CG1-CD1 4.4Å; V170-F221 HydrophobicContact CG1-CE1 4Å; V170-F221 HydrophobicContact CG2-CD1 4.11Å; V170-F221 HydrophobicContact CG2-CE1 3.83Å
171V56Low63.8Low48 Ų4885.6 Ų85.629%0.29146%0.463SS..EExtended strand (participates in β ladder)trans-84.9113.4169.9-176.90000107.3P169 F174 F222P169-V171 PolarHBondContact O-N 2.99Å; V171-F174 HydrophobicContact CG1-CD2 3.53Å; V171-F174 HydrophobicContact CG1-CE2 4.17Å; V171-F174 HydrophobicContact CG1-CG 4.47Å; V171-F222 HydrophobicContact CB-CD2 4.38Å; V171-F222 HydrophobicContact CG2-CD2 4.12Å
172Q53.9Low62.7Low104 Ų10487.5 Ų87.549%0.48647%0.473SS..  trans-113158.7177.8-58.6-171-17.700110V170 F174 Y219V170-Q172 HydrophobicContact CB-CG 4.47Å; V170-Q172 HydrophobicContact CG1-CG 3.57Å; Q172-F174 PolarHBondContact O-N 2.83Å; Q172-Y219 HydrophobicContact CB-CE1 4.33Å; Q172-Y219 HydrophobicContact CG-CD1 4Å; Q172-Y219 HydrophobicContact CG-CE1 4.01Å
173H55.9Low61.7Low127 Ų12793.1 Ų93.159%0.58849%0.492SS*.  trans58.334179.4-54.9-93.1000113.6V175H173-V175 PolarHBondContact O-N 3.43Å
174F50.9Low60.5Low93 Ų9393.4 Ų93.441%0.40850%0.502SS..  trans-67118.6170.9-145.3-99.3000108V171 Q172 F176 L180V171-F174 HydrophobicContact CG1-CD2 3.53Å; V171-F174 HydrophobicContact CG1-CE2 4.17Å; V171-F174 HydrophobicContact CG1-CG 4.47Å; Q172-F174 PolarHBondContact O-N 2.83Å; F174-F176 VanDerWaalsContact C-N 3.25Å; F174-F176 HydrophobicContact CB-CD2 4.03Å; F174-F176 HydrophobicContact CB-CE2 3.74Å; F174-F176 HydrophobicContact CD1-CD2 4.05Å; F174-F176 HydrophobicContact CD1-CE1 4.39Å; F174-F176 AromaticContact CD1-CE2 3.57Å; F174-F176 HydrophobicContact CD1-CE2 3.57Å; F174-F176 AromaticContact CD1-CZ 3.75Å; F174-F176 HydrophobicContact CD1-CZ 3.75Å; F174-F176 HydrophobicContact CE1-CZ 4.37Å; F174-F176 HydrophobicContact CG-CE2 4.02Å; F174-F176 PolarHBondContact O-N 3.19Å; F174-L180 HydrophobicContact CE1-CD1 4.17Å
175V50.2Low59.1Low130 Ų130100.3 Ų100.379%0.78853%0.532SS*.  trans-73.987.2179.1-176.60000108H173 G177H173-V175 PolarHBondContact O-N 3.43Å; V175-G177 PolarHBondContact O-N 2.79Å
176F53.3Low57.9Low59 Ų59104.7 Ų104.726%0.25956%0.561SS.*  trans-73.577.2161.3-75.5-81.7000107.6F174 L180 I182 L218 I220F174-F176 VanDerWaalsContact C-N 3.25Å; F174-F176 HydrophobicContact CB-CD2 4.03Å; F174-F176 HydrophobicContact CB-CE2 3.74Å; F174-F176 HydrophobicContact CD1-CD2 4.05Å; F174-F176 HydrophobicContact CD1-CE1 4.39Å; F174-F176 AromaticContact CD1-CE2 3.57Å; F174-F176 HydrophobicContact CD1-CE2 3.57Å; F174-F176 AromaticContact CD1-CZ 3.75Å; F174-F176 HydrophobicContact CD1-CZ 3.75Å; F174-F176 HydrophobicContact CE1-CZ 4.37Å; F174-F176 HydrophobicContact CG-CE2 4.02Å; F174-F176 PolarHBondContact O-N 3.19Å; F176-L180 HydrophobicContact CD1-CB 3.93Å; F176-L180 WeakPolarHBondContact CD1-O 3.5Å; F176-L180 HydrophobicContact CE1-CB 4.23Å; F176-L180 HydrophobicContact CE1-CD1 4.46Å; F176-I182 HydrophobicContact CD1-CD1 4.11Å; F176-I182 HydrophobicContact CD1-CG1 4.32Å; F176-I182 HydrophobicContact CE1-CD1 4.11Å; F176-I182 HydrophobicContact CE1-CG1 4.47Å; F176-L218 HydrophobicContact CD2-CB 3.88Å; F176-L218 HydrophobicContact CD2-CD2 4.05Å; F176-L218 HydrophobicContact CE2-CB 4.12Å; F176-L218 HydrophobicContact CE2-CD2 3.77Å; F176-L218 HydrophobicContact CE2-CG 4.34Å; F176-L218 HydrophobicContact CZ-CD2 4.07Å; F176-I220 HydrophobicContact CE1-CD1 4.42Å; F176-I220 HydrophobicContact CE2-CD1 3.72Å; F176-I220 HydrophobicContact CE2-CG1 4.3Å; F176-I220 HydrophobicContact CZ-CD1 3.36Å; F176-I220 HydrophobicContact CZ-CG1 4.4Å
177G55Low56.3Low31 Ų31103.7 Ų103.732%0.3256%0.564SS.*  trans-82.7-168167.900000111.4V175 L179 L180V175-G177 PolarHBondContact O-N 2.79Å; G177-L179 PolarHBondContact O-N 3.39Å; G177-L180 CarbonylContact O-C 3.58Å; G177-L180 PolarHBondContact O-N 3.17Å; G177-L180 VanDerWaalsContact O-N 3.13Å
178T58.7Low55.1Low144 Ų144102.4 Ų102.488%0.88357%0.573SS**THydrogen-bonded Turntrans-55.3-13.1171.235.10000114.7
179L55.2Low54.3Low165 Ų165104.3 Ų104.386%0.86459%0.594SS**THydrogen-bonded Turntrans-78-26.1178.3-145.682.9000113.3G177G177-L179 PolarHBondContact O-N 3.39Å
180L49.6Very low53.4Low95 Ų95105.8 Ų105.850%0.49761%0.606SS.*SBendtrans-13752.6-178.9-67.7174.5000109.8F174 F176 G177 I182F174-L180 HydrophobicContact CE1-CD1 4.17Å; F176-L180 HydrophobicContact CD1-CB 3.93Å; F176-L180 WeakPolarHBondContact CD1-O 3.5Å; F176-L180 HydrophobicContact CE1-CB 4.23Å; F176-L180 HydrophobicContact CE1-CD1 4.46Å; G177-L180 CarbonylContact O-C 3.58Å; G177-L180 PolarHBondContact O-N 3.17Å; G177-L180 VanDerWaalsContact O-N 3.13Å; L180-I182 PolarHBondContact O-N 3.22Å
181S52.4Low52.9Low76 Ų76107.5 Ų107.553%0.53162%0.621SS.*  trans-61.7126.9176.424.10000110.8E183S181-E183 PolarHBondContact O-N 3.24Å
182I59.4Low52.3Low103 Ų103111.6 Ų111.653%0.52865%0.647SS.*  trans-89.195.8171.7-59.4172.4000106.3F176 L180 L218F176-I182 HydrophobicContact CD1-CD1 4.11Å; F176-I182 HydrophobicContact CD1-CG1 4.32Å; F176-I182 HydrophobicContact CE1-CD1 4.11Å; F176-I182 HydrophobicContact CE1-CG1 4.47Å; L180-I182 PolarHBondContact O-N 3.22Å; I182-L218 HydrophobicContact CD1-CD2 3.33Å
183E60.8Low51.7Low144 Ų144112.1 Ų112.167%0.67366%0.659SS**  trans-75.3129.7172.9-63.2-59.7149.500109.2S181 E185S181-E183 PolarHBondContact O-N 3.24Å; E183-E185 PolarHBondContact O-N 3.23Å
184P59.1Low50.7Low99 Ų99114 Ų11464%0.64367%0.668SS**  trans-60.7127.1172.422-28.1000109.4T186P184-T186 PolarHBondContact O-N 3.3Å; P184-T186 PolarHBondContact O-OG1 3.1Å
185E48.7Very low50.1Low177 Ų177115.1 Ų115.183%0.82768%0.684SS**  trans-54.7114.2172.8-87-157.7-177.400109.3E183 T187E183-E185 PolarHBondContact O-N 3.23Å; E185-T187 VanDerWaalsContact C-N 3.28Å
186T51.9Low49.7Very low138 Ų138116.7 Ų116.785%0.84769%0.688SS**  trans-91.27.2178.4-39.70000111.7P184 A188P184-T186 PolarHBondContact O-N 3.3Å; P184-T186 PolarHBondContact O-OG1 3.1Å; T186-A188 PolarHBondContact O-N 2.96Å
187T45.6Very low48.9Very low105 Ų105124.3 Ų124.364%0.64472%0.721SS**  trans-84.4104.4178.830.60000110.8E185E185-T187 VanDerWaalsContact C-N 3.28Å
188A50.5Low47.9Very low80 Ų80125.3 Ų125.366%0.66173%0.731SS**  trans-43.8144.9164.700000111T186 S190T186-A188 PolarHBondContact O-N 2.96Å; A188-S190 PolarHBondContact O-N 3.31Å
189P47.8Very low46.8Very low128 Ų128130.4 Ų130.483%0.83173%0.734SS**  trans-5896.8-175.522.7-32.9000110.5
190S47.2Very low45.8Very low104 Ų104127.8 Ų127.873%0.72772%0.72SS**  trans-86.3121.7164.563.20000106.1A188A188-S190 PolarHBondContact O-N 3.31Å
191S48.3Very low45.1Very low107 Ų107127.2 Ų127.275%0.74872%0.722SS**SBendtrans77.3116.9-174.876.90000116.2
192T43.4Very low44.3Very low135 Ų135127.3 Ų127.383%0.82873%0.728SS**  trans-49.6121.9163.6-43.40000108.5E194T192-E194 PolarHBondContact O-N 2.88Å
193P42.7Very low43.2Very low114 Ų114129 Ų12974%0.7474%0.738SS**  trans-61.6116175.923.3-31.1000108.3
194E34.8Very low41.9Very low168 Ų168129.4 Ų129.479%0.78574%0.738SS**  trans-53.7132.6165.9-99.6-170162.200107.9T192 L196T192-E194 PolarHBondContact O-N 2.88Å; E194-L196 VanDerWaalsContact C-N 3.33Å; E194-L196 PolarHBondContact O-N 3.14Å
195P38.2Very low40.5Very low115 Ų115128.5 Ų128.575%0.74773%0.73SS**  trans-62.3100.2174.522.9-29.4000108.2K197P195-K197 PolarHBondContact O-N 3.36Å
196L40.5Very low39.5Very low164 Ų164124.6 Ų124.686%0.85972%0.719SS**  trans-56.3105.8174.1-73.7167.3000107.8E194 G198E194-L196 VanDerWaalsContact C-N 3.33Å; E194-L196 PolarHBondContact O-N 3.14Å; L196-G198 PolarHBondContact O-N 2.98Å
197K36.3Very low38.7Very low219 Ų219121.7 Ų121.795%0.95270%0.701SS**  trans-7068.6171.2-73.7180179.4174.50109.1P195P195-K197 PolarHBondContact O-N 3.36Å
198G35.7Very low38.2Very low52 Ų52124.5 Ų124.554%0.53671%0.711SS.*  trans-150.897.2177.100000107.4L196 L200L196-G198 PolarHBondContact O-N 2.98Å; G198-L200 VanDerWaalsContact C-N 3.29Å; G198-L200 PolarHBondContact O-N 2.88Å
199R33.8Very low37.3Very low251 Ų251128.8 Ų128.895%0.94772%0.717SS**  trans-6392.4175.4-162.2178.9-159.9-179.44.7107.5
200L35.3Very low36.6Very low110 Ų110125 Ų12558%0.57669%0.694SS**  trans-56.5134.3166.7-85.9159.1000107.3G198 A202 F204G198-L200 VanDerWaalsContact C-N 3.29Å; G198-L200 PolarHBondContact O-N 2.88Å; L200-A202 PolarHBondContact O-N 3.39Å; L200-F204 HydrophobicContact CD2-CB 4.34Å
201P33.7Very low36.1Very low82 Ų82123.3 Ų123.353%0.53268%0.682SS.*  trans-56.1128166.122.5-29.2000107.1N203 F204P201-N203 PolarHBondContact O-N 3.25Å; P201-F204 HydrophobicContact CG-CD2 4.16Å; P201-F204 PolarHBondContact O-N 2.68Å
202A37Very low35.4Very low79 Ų79124.8 Ų124.865%0.65368%0.675SS**THydrogen-bonded Turntrans-52.4-17.5-168.600000114.5L200L200-A202 PolarHBondContact O-N 3.39Å
203N36.7Very low34.9Very low139 Ų139126 Ų12674%0.74367%0.669SS**THydrogen-bonded Turntrans-81.5-13.6-177.7-57.8-7.4000114P201P201-N203 PolarHBondContact O-N 3.25Å
204F32Very low34.5Very low152 Ų152128.4 Ų128.467%0.66767%0.665SS**THydrogen-bonded Turntrans-89-28.9-179.5-98.9-88.1000113.9L200 P201 T206L200-F204 HydrophobicContact CD2-CB 4.34Å; P201-F204 HydrophobicContact CG-CD2 4.16Å; P201-F204 PolarHBondContact O-N 2.68Å; F204-T206 VanDerWaalsContact C-N 3.25Å; F204-T206 PolarHBondContact O-N 3.17Å
205T29.3Very low34.6Very low79 Ų79125.6 Ų125.649%0.48566%0.663SS.*THydrogen-bonded Turntrans-70.4-23.2-176.3-370000112.5V207T205-V207 PolarHBondContact O-N 2.91Å
206T29Very low34.7Very low96 Ų96127.8 Ų127.859%0.58967%0.669SS**THydrogen-bonded Turntrans-74-23-176.1-45.70000113.7F204 L208F204-T206 VanDerWaalsContact C-N 3.25Å; F204-T206 PolarHBondContact O-N 3.17Å; T206-L208 PolarHBondContact O-N 3.18Å
207V34.7Very low34.4Very low76 Ų76123 Ų12346%0.46164%0.644SS.*THydrogen-bonded Turntrans-76.6-24.8-165.9-177.60000113.6T205T205-V207 PolarHBondContact O-N 2.91Å
208L34.8Very low34.7Very low164 Ų164113.2 Ų113.286%0.85960%0.602SS**THydrogen-bonded Turntrans-93.6-6179.2-81.6169.6000114.8T206T206-L208 PolarHBondContact O-N 3.18Å
209Q31.6Very low34.8Very low171 Ų171114.4 Ų114.480%0.79959%0.591SS**SBendtrans-90.1-13.6-174.2-82.9-168-54.300115.4S211Q209-S211 PolarHBondContact O-N 3.46Å
210S32.9Very low35.4Very low48 Ų48104.8 Ų104.834%0.33656%0.558SS.*  trans-101.852.4-176.7700000113.4F212S210-F212 VanDerWaalsContact C-N 3.3Å; S210-F212 PolarHBondContact O-N 3.32Å; S210-F212 VanDerWaalsContact O-N 3.1Å
211S36.9Very low35.8Very low69 Ų69104.2 Ų104.248%0.48355%0.551SS.*  trans-74.989.5159.6-64.60000107.8Q209 F213Q209-S211 PolarHBondContact O-N 3.46Å; S211-F213 PolarHBondContact O-N 3.04Å
212F33.9Very low36.3Very low138 Ų138103.7 Ų103.761%0.60554%0.54SS*.  trans-81.5115.8172.5-79.4-82.9000109.4S210 Y214S210-F212 VanDerWaalsContact C-N 3.3Å; S210-F212 PolarHBondContact O-N 3.32Å; S210-F212 VanDerWaalsContact O-N 3.1Å; F212-Y214 PolarHBondContact O-N 3.49Å
213F33.7Very low36.5Very low160 Ų160101.3 Ų101.370%0.70252%0.519SS*.EExtended strand (participates in β ladder)trans-77.5108.5168-81.1-92000109.1S211S211-F213 PolarHBondContact O-N 3.04Å
214Y33Very low36.8Very low165 Ų16595.8 Ų95.865%0.64749%0.491SS*.EExtended strand (participates in β ladder)trans-117.8110.9158.8-89.5-89.8000108F212 N216 N217F212-Y214 PolarHBondContact O-N 3.49Å; Y214-N216 PolarHBondContact O-N 2.94Å; Y214-N217 PolarHBondContact O-N 2.86Å
215S37.5Very low37.3Very low108 Ų10890 Ų9076%0.75547%0.47SS*.THydrogen-bonded Turntrans49.653.3158.6-54.90000117.1N217S215-N217 VanDerWaalsContact C-N 3.28Å; S215-N217 PolarHBondContact O-N 3.33Å
216N39.6Very low37.7Very low161 Ų16193.5 Ų93.586%0.86148%0.475SS*.THydrogen-bonded Turntrans70.97.5-178.3-57.7-39.3000116.3Y214Y214-N216 PolarHBondContact O-N 2.94Å
217N35.1Very low38.1Very low63 Ų6397 Ų9734%0.33748%0.483SS..EExtended strand (participates in β ladder)trans-108.8114.2171.9-67.7-63.1000109.8Y214 S215 Y219Y214-N217 PolarHBondContact O-N 2.86Å; S215-N217 VanDerWaalsContact C-N 3.28Å; S215-N217 PolarHBondContact O-N 3.33Å; N217-Y219 HydrophobicContact CB-CE2 4.5Å
218L42.7Very low38.1Very low15 Ų1597.6 Ų97.68%0.07948%0.477CS..EExtended strand (participates in β ladder)trans-91.8130.3171.5-176.465.6000109.5F176 I182 I220F176-L218 HydrophobicContact CD2-CB 3.88Å; F176-L218 HydrophobicContact CD2-CD2 4.05Å; F176-L218 HydrophobicContact CE2-CB 4.12Å; F176-L218 HydrophobicContact CE2-CD2 3.77Å; F176-L218 HydrophobicContact CE2-CG 4.34Å; F176-L218 HydrophobicContact CZ-CD2 4.07Å; I182-L218 HydrophobicContact CD1-CD2 3.33Å; L218-I220 HydrophobicContact CD2-CD1 3.7Å; L218-I220 HydrophobicContact CD2-CG1 3.71Å; L218-I220 HydrophobicContact CG-CD1 4.35Å; L218-I220 HydrophobicContact CG-CG1 3.81Å
219Y38.1Very low37.9Very low77 Ų7795.3 Ų95.330%0.30246%0.461SS..  trans-97.8112.1171.8-64.4-89000108.6Q172 N217Q172-Y219 HydrophobicContact CB-CE1 4.33Å; Q172-Y219 HydrophobicContact CG-CD1 4Å; Q172-Y219 HydrophobicContact CG-CE1 4.01Å; N217-Y219 HydrophobicContact CB-CE2 4.5Å
220I46.6Very low37.9Very low49 Ų4993.6 Ų93.625%0.25146%0.456SS..EExtended strand (participates in β ladder)trans-110.7122.8173.8-55-174.3000108.8F176 L218 F222F176-I220 HydrophobicContact CE1-CD1 4.42Å; F176-I220 HydrophobicContact CE2-CD1 3.72Å; F176-I220 HydrophobicContact CE2-CG1 4.3Å; F176-I220 HydrophobicContact CZ-CD1 3.36Å; F176-I220 HydrophobicContact CZ-CG1 4.4Å; L218-I220 HydrophobicContact CD2-CD1 3.7Å; L218-I220 HydrophobicContact CD2-CG1 3.71Å; L218-I220 HydrophobicContact CG-CD1 4.35Å; L218-I220 HydrophobicContact CG-CG1 3.81Å; I220-F222 HydrophobicContact CB-CD2 4.31Å; I220-F222 HydrophobicContact CB-CE2 3.81Å; I220-F222 HydrophobicContact CB-CZ 4.34Å; I220-F222 HydrophobicContact CD1-CZ 4.43Å; I220-F222 HydrophobicContact CG2-CD1 4.5Å; I220-F222 HydrophobicContact CG2-CD2 3.86Å; I220-F222 HydrophobicContact CG2-CE1 4.18Å; I220-F222 HydrophobicContact CG2-CE2 3.49Å; I220-F222 VanDerWaalsContact CG2-CE2 3.49Å; I220-F222 HydrophobicContact CG2-CG 4.36Å; I220-F222 HydrophobicContact CG2-CZ 3.67Å; I220-F222 PolarHBondContact O-N 2.86Å
221F43.6Very low37.7Very low97 Ų9796.1 Ų96.143%0.42547%0.466SS..EExtended strand (participates in β ladder)trans-86.2106170.9-64.5-88.5000108.7V170V170-F221 HydrophobicContact CG1-CD1 4.4Å; V170-F221 HydrophobicContact CG1-CE1 4Å; V170-F221 HydrophobicContact CG2-CD1 4.11Å; V170-F221 HydrophobicContact CG2-CE1 3.83Å
222F43.1Very low37.3Very low71 Ų7196 Ų9631%0.31146%0.462SS..  trans-87.1133.4169.1-69.9-83.7000109.3V171 I220V171-F222 HydrophobicContact CB-CD2 4.38Å; V171-F222 HydrophobicContact CG2-CD2 4.12Å; I220-F222 HydrophobicContact CB-CD2 4.31Å; I220-F222 HydrophobicContact CB-CE2 3.81Å; I220-F222 HydrophobicContact CB-CZ 4.34Å; I220-F222 HydrophobicContact CD1-CZ 4.43Å; I220-F222 HydrophobicContact CG2-CD1 4.5Å; I220-F222 HydrophobicContact CG2-CD2 3.86Å; I220-F222 HydrophobicContact CG2-CE1 4.18Å; I220-F222 HydrophobicContact CG2-CE2 3.49Å; I220-F222 VanDerWaalsContact CG2-CE2 3.49Å; I220-F222 HydrophobicContact CG2-CG 4.36Å; I220-F222 HydrophobicContact CG2-CZ 3.67Å; I220-F222 PolarHBondContact O-N 2.86Å
223S41Very low37.2Very low29 Ų2996.6 Ų96.620%0.20347%0.471CS..  trans-62134.6159.1179.80000108.6F168 S225 Y226F168-S223 VanDerWaalsContact CE1-CB 3.49Å; S223-S225 PolarHBondContact O-N 3.29Å; S223-S225 VanDerWaalsContact O-N 3.1Å; S223-S225 WeakPolarHBondContact OG-CB 3.35Å; S223-S225 PolarHBondContact OG-N 3.12Å; S223-S225 VanDerWaalsContact OG-N 3.09Å; S223-S225 PolarHBondContact OG-OG 2.99Å; S223-S225 VanDerWaalsContact OG-OG 3.09Å; S223-Y226 WeakPolarHBondContact O-CB 3.2Å; S223-Y226 PolarHBondContact O-N 3.28Å
224S43.3Very low37.1Very low23 Ų2393 Ų9316%0.16147%0.465CS..Hα-helixtrans-49-33.4165163.50000110.7K167 Y226 F227 Y228K167-S224 WeakPolarHBondContact O-CB 3.34Å; S224-Y226 PolarHBondContact O-N 3.14Å; S224-Y226 VanDerWaalsContact O-N 3.17Å; S224-F227 PolarHBondContact O-N 2.97Å; S224-F227 VanDerWaalsContact O-N 3.13Å; S224-Y228 WeakPolarHBondContact O-CD2 3.27Å; S224-Y228 PolarHBondContact O-N 2.98Å
225S42.7Very low37Very low31 Ų3189.6 Ų89.622%0.21746%0.456CS..Hα-helixtrans-60.3-25.5175-44.80000113.4L165 S223 F227 Y228 F229L165-S225 WeakPolarHBondContact CD2-OG 3.13Å; S223-S225 PolarHBondContact O-N 3.29Å; S223-S225 VanDerWaalsContact O-N 3.1Å; S223-S225 WeakPolarHBondContact OG-CB 3.35Å; S223-S225 PolarHBondContact OG-N 3.12Å; S223-S225 VanDerWaalsContact OG-N 3.09Å; S223-S225 PolarHBondContact OG-OG 2.99Å; S223-S225 VanDerWaalsContact OG-OG 3.09Å; S225-F227 VanDerWaalsContact C-N 3.35Å; S225-Y228 CarbonylContact O-C 3.6Å; S225-Y228 PolarHBondContact O-N 3.25Å; S225-F229 WeakPolarHBondContact O-CA 3.46Å; S225-F229 WeakPolarHBondContact O-CB 3.33Å; S225-F229 PolarHBondContact O-N 3.22Å
226Y38.6Very low36.7Very low152 Ų15289.6 Ų89.660%0.59645%0.453SS*.Hα-helixtrans-68.4-36.7177.3-134.9-85.6000111.9S223 S224 Y228S223-Y226 WeakPolarHBondContact O-CB 3.2Å; S223-Y226 PolarHBondContact O-N 3.28Å; S224-Y226 PolarHBondContact O-N 3.14Å; S224-Y226 VanDerWaalsContact O-N 3.17Å; Y226-Y228 VanDerWaalsContact C-N 3.34Å
227F37.7Very low36.3Very low170 Ų17089.5 Ų89.575%0.74645%0.445SS*.Hα-helixtrans-65.9-41.6173.1-116.2-89.8000110.6S224 S225S224-F227 PolarHBondContact O-N 2.97Å; S224-F227 VanDerWaalsContact O-N 3.13Å; S225-F227 VanDerWaalsContact C-N 3.35Å
228Y34.1Very low36.1Very low89 Ų8991 Ų9135%0.34945%0.453SS..Hα-helixtrans-76.6-27.3177-73.9-75000114.2S224 S225 Y226 L230 D231 T232S224-Y228 WeakPolarHBondContact O-CD2 3.27Å; S224-Y228 PolarHBondContact O-N 2.98Å; S225-Y228 CarbonylContact O-C 3.6Å; S225-Y228 PolarHBondContact O-N 3.25Å; Y226-Y228 VanDerWaalsContact C-N 3.34Å; Y228-L230 VanDerWaalsContact C-N 3.34Å; Y228-L230 PolarHBondContact O-N 3.18Å; Y228-D231 CarbonylContact O-C 3.59Å; Y228-D231 WeakPolarHBondContact O-CA 3.4Å; Y228-D231 WeakPolarHBondContact O-CB 3.17Å; Y228-D231 PolarHBondContact O-N 3.01Å; Y228-T232 WeakPolarHBondContact O-CB 3.23Å; Y228-T232 PolarHBondContact O-N 2.92Å; Y228-T232 PolarHBondContact O-OG1 2.52Å
229F31.3Very low35.5Very low116 Ų11696.3 Ų96.351%0.50948%0.477SS..Hα-helixtrans-71.3-32.5-174-148.6-93.6000111.7S225 D231 T232S225-F229 WeakPolarHBondContact O-CA 3.46Å; S225-F229 WeakPolarHBondContact O-CB 3.33Å; S225-F229 PolarHBondContact O-N 3.22Å; F229-D231 VanDerWaalsContact C-N 3.27Å; F229-T232 PolarHBondContact O-N 2.65Å
230L30.8Very low35.4Very low134 Ų13495.4 Ų95.470%0.70248%0.476SS*.Hα-helixtrans-65.4-32.9168.9-70.4173.8000111.5Y228Y228-L230 VanDerWaalsContact C-N 3.34Å; Y228-L230 PolarHBondContact O-N 3.18Å
231D28Very low34.7Very low101 Ų10194.9 Ų94.954%0.5448%0.479SS..Hα-helixtrans-80.2-26.4172.7-81.3-19.3000113.9Y228 F229 L233 C234 M235Y228-D231 CarbonylContact O-C 3.59Å; Y228-D231 WeakPolarHBondContact O-CA 3.4Å; Y228-D231 WeakPolarHBondContact O-CB 3.17Å; Y228-D231 PolarHBondContact O-N 3.01Å; F229-D231 VanDerWaalsContact C-N 3.27Å; D231-L233 PolarHBondContact O-N 3.38Å; D231-C234 WeakPolarHBondContact O-CB 3.2Å; D231-C234 PolarHBondContact O-N 3.49Å; D231-M235 PolarHBondContact O-N 3.4Å
232T29.3Very low34.2Very low66 Ų6692.1 Ų92.141%0.40547%0.472SS..Hα-helixtrans-74.1-28.5-171.1-52.20000111.6Y228 F229 C234 M235Y228-T232 WeakPolarHBondContact O-CB 3.23Å; Y228-T232 PolarHBondContact O-N 2.92Å; Y228-T232 PolarHBondContact O-OG1 2.52Å; F229-T232 PolarHBondContact O-N 2.65Å; T232-C234 PolarHBondContact O-N 3.45Å; T232-M235 PolarHBondContact O-N 3.43Å
233L32.4Very low34Very low151 Ų15190.1 Ų90.179%0.79147%0.465SS*.THydrogen-bonded Turntrans-61.1-13.6169.1-79.8167.4000112.6D231D231-L233 PolarHBondContact O-N 3.38Å
234C31.3Very low33.8Very low86 Ų8689.7 Ų89.758%0.58146%0.461SS*.THydrogen-bonded Turntrans-105.9-18-179-143.20000115.3D231 T232D231-C234 WeakPolarHBondContact O-CB 3.2Å; D231-C234 PolarHBondContact O-N 3.49Å; T232-C234 PolarHBondContact O-N 3.45Å
235M30.9Very low33.4Very low92 Ų9295.6 Ų95.645%0.45349%0.486SS..  trans-145.899.3-166.2-68.6-64.9151.100116.4D231 T232 K237 L238D231-M235 PolarHBondContact O-N 3.4Å; T232-M235 PolarHBondContact O-N 3.43Å; M235-K237 PolarHBondContact O-N 3.45Å; M235-L238 HydrophobicContact CB-CB 4.42Å
236P31.2Very low33.1Very low108 Ų108101 Ų10170%0.70150%0.502SS*.THydrogen-bonded Turntrans-61.9-15.2157.9-20.732000113.8
237K30.5Very low33.1Very low160 Ų16094.6 Ų94.670%0.69648%0.478SS*.THydrogen-bonded Turntrans-79.5-20.3-176.1-72.2-176.7177.3178.70114.7M235M235-K237 PolarHBondContact O-N 3.45Å
238L30Very low33.2Very low95 Ų9594 Ų9450%0.49748%0.478SS..Hα-helixtrans-92.6-23-170.8-124.484.6000114.9M235 M240 A241 C242M235-L238 HydrophobicContact CB-CB 4.42Å; L238-M240 PolarHBondContact O-N 3.25Å; L238-M240 VanDerWaalsContact O-N 3.1Å; L238-A241 HydrophobicContact CG-CB 4.48Å; L238-A241 PolarHBondContact O-N 3.42Å; L238-C242 PolarHBondContact O-N 2.99Å
239Q31.9Very low33.2Very low126 Ų12694.3 Ų94.359%0.58948%0.484SS*.Hα-helixtrans-58.7-29-178.1-81.4-174.2-40.500112.8
240M34.9Very low33.3Very low57 Ų5793.1 Ų93.128%0.28148%0.483SS..Hα-helixtrans-92-26.9176.1-152.577.29700113.3M117 F118 L238 C242 V243 L244M117-M240 HydrophobicContact CE-CB 3.65Å; M117-M240 HydrophobicContact CE-CE 4.25Å; M117-M240 HydrophobicContact CE-CG 4.39Å; M117-M240 HydrophobicContact SD-CB 4.48Å; F118-M240 HydrophobicContact CB-CE 3.99Å; F118-M240 HydrophobicContact CD2-CE 4.22Å; L238-M240 PolarHBondContact O-N 3.25Å; L238-M240 VanDerWaalsContact O-N 3.1Å; M240-C242 VanDerWaalsContact C-N 3.29Å; M240-C242 PolarHBondContact O-N 3.39Å; M240-V243 PolarHBondContact O-N 2.87Å; M240-L244 HydrophobicContact CG-CD1 4.23Å; M240-L244 HydrophobicContact CG-CG 4.44Å; M240-L244 WeakPolarHBondContact O-CG 3.24Å; M240-L244 PolarHBondContact O-N 3.49Å
241A33.3Very low33.4Very low38 Ų3890.8 Ų90.831%0.31447%0.471SS..Hα-helixtrans-62.5-39.8177.800000111.3L238 V243 L244 E245L238-A241 HydrophobicContact CG-CB 4.48Å; L238-A241 PolarHBondContact O-N 3.42Å; A241-V243 VanDerWaalsContact C-N 3.31Å; A241-V243 PolarHBondContact O-N 3.34Å; A241-L244 PolarHBondContact O-N 3.23Å; A241-L244 VanDerWaalsContact O-N 3.13Å; A241-E245 PolarHBondContact O-N 3.18Å
242C32.4Very low33.7Very low40 Ų4090.2 Ų90.227%0.2747%0.467SS..Hα-helixtrans-64.9-35.6177.3-137.90000112.2L238 M240 Y246L238-C242 PolarHBondContact O-N 2.99Å; M240-C242 VanDerWaalsContact C-N 3.29Å; M240-C242 PolarHBondContact O-N 3.39Å; C242-Y246 PolarHBondContact O-N 3.46Å
243V39Very low34Very low28 Ų2891.8 Ų91.817%0.1747%0.471CS..Hα-helixtrans-69.8-37.1173.6178.30000111L156 M240 A241 L247L156-V243 HydrophobicContact CD1-CG1 4.1Å; L156-V243 HydrophobicContact CD2-CG1 4.07Å; M240-V243 PolarHBondContact O-N 2.87Å; A241-V243 VanDerWaalsContact C-N 3.31Å; A241-V243 PolarHBondContact O-N 3.34Å; V243-L247 HydrophobicContact CG1-CD1 4Å; V243-L247 WeakPolarHBondContact O-CB 3.41Å; V243-L247 WeakPolarHBondContact O-CD1 3.47Å; V243-L247 WeakPolarHBondContact O-CG 3.47Å; V243-L247 PolarHBondContact O-N 3.03Å
244L36.3Very low34.1Very low21 Ų2187.8 Ų87.811%0.1145%0.449CS..Hα-helixtrans-78.3-35.7-177.5-70.7170.4000113.7F118 C121 L140 M240 A241 Y246 L247 Q248F118-L244 HydrophobicContact CE2-CD2 4.34Å; C121-L244 HydrophobicContact CB-CD1 3.44Å; C121-L244 VanDerWaalsContact CB-CD1 3.44Å; C121-L244 VanDerWaalsContact SG-CD1 3.56Å; L140-L244 HydrophobicContact CD1-CD2 4.3Å; L140-L244 HydrophobicContact CD2-CD2 3.89Å; M240-L244 HydrophobicContact CG-CD1 4.23Å; M240-L244 HydrophobicContact CG-CG 4.44Å; M240-L244 WeakPolarHBondContact O-CG 3.24Å; M240-L244 PolarHBondContact O-N 3.49Å; A241-L244 PolarHBondContact O-N 3.23Å; A241-L244 VanDerWaalsContact O-N 3.13Å; L244-Y246 VanDerWaalsContact C-N 3.34Å; L244-L247 PolarHBondContact O-N 3.2Å; L244-Q248 PolarHBondContact O-N 3.27Å
245E35Very low34.3Very low146 Ų14687.9 Ų87.968%0.68244%0.44SS*.Hα-helixtrans-67.1-35.6173.7-82.7-177.4168.500111.8A241 L247 Q248A241-E245 PolarHBondContact O-N 3.18Å; E245-L247 PolarHBondContact O-N 3.32Å; E245-Q248 PolarHBondContact O-N 3.48Å
246Y36.4Very low34.6Very low144 Ų14487.6 Ų87.657%0.56544%0.439SS*.Hα-helixtrans-69.7-23.1174.3-156.8-92.8000112.8Q139 M159 C242 L244Q139-Y246 PolarHBondContact OE1-O 3.21Å; M159-Y246 HydrophobicContact CE-CE1 4.27Å; C242-Y246 PolarHBondContact O-N 3.46Å; L244-Y246 VanDerWaalsContact C-N 3.34Å
247L39.1Very low34.8Very low18 Ų1885.9 Ų85.99%0.09442%0.417CS..THydrogen-bonded Turntrans-92.11.7179.8-70.2175.4000114.4Q139 L140 I143 L156 V243 L244 E245Q139-L247 HydrophobicContact CB-CB 4.29Å; Q139-L247 HydrophobicContact CB-CD2 3.94Å; Q139-L247 VanDerWaalsContact CB-O 3.29Å; Q139-L247 WeakPolarHBondContact CB-O 3.19Å; Q139-L247 VanDerWaalsContact CD-O 3.32Å; Q139-L247 WeakPolarHBondContact CG-O 3.41Å; L140-L247 HydrophobicContact CD2-CB 4.46Å; L140-L247 HydrophobicContact CD2-CD1 3.83Å; L140-L247 HydrophobicContact CG-CB 4.43Å; I143-L247 HydrophobicContact CD1-CD1 3.93Å; L156-L247 HydrophobicContact CD2-CD1 4.43Å; V243-L247 HydrophobicContact CG1-CD1 4Å; V243-L247 WeakPolarHBondContact O-CB 3.41Å; V243-L247 WeakPolarHBondContact O-CD1 3.47Å; V243-L247 WeakPolarHBondContact O-CG 3.47Å; V243-L247 PolarHBondContact O-N 3.03Å; L244-L247 PolarHBondContact O-N 3.2Å; E245-L247 PolarHBondContact O-N 3.32Å
248Q39.3Very low35.2Very low158 Ų15879.2 Ų79.274%0.73839%0.392SS*.  trans-87.80170.8-74.4-173.1-8.700110.6Q139 L244 E245Q139-Q248 PolarHBondContact NE2-OXT 3.24Å; L244-Q248 PolarHBondContact O-N 3.27Å; E245-Q248 PolarHBondContact O-N 3.48Å

Retrieved 248 of 248 residues in 512 ms (Link to these results)

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