A0A0U5KEW2_SCHMA Loading...

MEG-32.1 protein

AlphaFold DB , UniProt , Accession A0A0U5KEW2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene MEG-32.1, Length 78 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
1M52.6Low63.6Low183 Ų183128.6 Ų128.690%0.90159%0.588SS**  0-0.70-83.8-178.317100114.6
2Y56.1Low64.2Low165 Ų165126.3 Ų126.365%0.64758%0.584SS**  trans-74.2-35.3-173.3-60.8-72.9000115.8R4 H5 Y6 F76Y2-R4 PolarHBondContact O-N 3.44Å; Y2-R4 VanDerWaalsContact O-N 3.13Å; Y2-H5 PolarHBondContact O-N 3.37Å; Y2-Y6 PolarHBondContact O-N 3.48Å; Y2-F76 HydrophobicContact CD1-CD2 4.49Å; Y2-F76 AromaticContact CD1-CE2 3.24Å; Y2-F76 HydrophobicContact CD1-CE2 3.24Å; Y2-F76 AromaticContact CD1-CZ 3.48Å; Y2-F76 HydrophobicContact CD1-CZ 3.48Å; Y2-F76 VanDerWaalsContact CD1-CZ 3.48Å; Y2-F76 HydrophobicContact CD2-CE2 4.34Å; Y2-F76 AromaticContact CD2-CZ 3.7Å; Y2-F76 HydrophobicContact CD2-CZ 3.7Å; Y2-F76 AromaticContact CE1-CE2 3.63Å; Y2-F76 HydrophobicContact CE1-CE2 3.63Å; Y2-F76 AromaticContact CE1-CZ 3.84Å; Y2-F76 HydrophobicContact CE1-CZ 3.84Å; Y2-F76 HydrophobicContact CE2-CZ 4.08Å; Y2-F76 AromaticContact CG-CE2 3.61Å; Y2-F76 HydrophobicContact CG-CE2 3.61Å; Y2-F76 AromaticContact CG-CZ 3.36Å; Y2-F76 HydrophobicContact CG-CZ 3.36Å
3Y56.5Low64.8Low210 Ų210121.3 Ų121.382%0.82457%0.568SS**Hα-helixtrans-55.4-33.2177.8-76.7-80.8000113.6H5 Y6 L7Y3-H5 VanDerWaalsContact C-N 3.29Å; Y3-H5 PolarHBondContact O-N 2.87Å; Y3-Y6 PolarHBondContact O-N 3.11Å; Y3-L7 PolarHBondContact O-N 2.99Å; Y3-L7 VanDerWaalsContact O-N 3.08Å
4R59.3Low65.3Low169 Ų169119.4 Ų119.464%0.63856%0.562SS**Hα-helixtrans-65.5-33.1179.8-162.3177.177.7-148.13.5112.3Y2 L8Y2-R4 PolarHBondContact O-N 3.44Å; Y2-R4 VanDerWaalsContact O-N 3.13Å; R4-L8 PolarHBondContact O-N 2.92Å
5H60.7Low65.8Low119 Ų119116.7 Ų116.755%0.55156%0.556SS**Hα-helixtrans-78.6-36-179.5-65.432.8000110.8Y2 Y3 L8 A9Y2-H5 PolarHBondContact O-N 3.37Å; Y3-H5 VanDerWaalsContact C-N 3.29Å; Y3-H5 PolarHBondContact O-N 2.87Å; H5-L8 PolarHBondContact O-N 3.05Å; H5-A9 PolarHBondContact O-N 3.39Å
6Y60.5Low66.2Low159 Ų159114.4 Ų114.462%0.62455%0.548SS*.Hα-helixtrans-64.5-46.4176.5-170.8-106.5000112.1Y2 Y3 L8 A9 I10Y2-Y6 PolarHBondContact O-N 3.48Å; Y3-Y6 PolarHBondContact O-N 3.11Å; Y6-L8 VanDerWaalsContact C-N 3.28Å; Y6-L8 PolarHBondContact O-N 3.2Å; Y6-A9 PolarHBondContact O-N 2.88Å; Y6-I10 HydrophobicContact CD1-CD1 3.58Å; Y6-I10 HydrophobicContact CD1-CG1 4.49Å; Y6-I10 HydrophobicContact CE1-CD1 3.14Å; Y6-I10 HydrophobicContact CE1-CG1 4.22Å; Y6-I10 HydrophobicContact CE2-CD1 4.42Å; Y6-I10 HydrophobicContact CG-CD1 4.39Å; Y6-I10 WeakPolarHBondContact O-CG1 3.5Å; Y6-I10 PolarHBondContact O-N 2.93Å
7L69.3Low66.2Low112 Ų112110.9 Ų110.959%0.58654%0.538SS*.Hα-helixtrans-58.4-43.3175.7-163.692.7000111Y3 I10 I11Y3-L7 PolarHBondContact O-N 2.99Å; Y3-L7 VanDerWaalsContact O-N 3.08Å; L7-I10 PolarHBondContact O-N 2.85Å; L7-I11 HydrophobicContact CD2-CD1 3.84Å; L7-I11 HydrophobicContact CG-CD1 3.91Å; L7-I11 WeakPolarHBondContact O-CD1 3.2Å; L7-I11 WeakPolarHBondContact O-CG1 3.45Å; L7-I11 PolarHBondContact O-N 3.44Å
8L70.5Confident65.9Low102 Ų102108.4 Ų108.453%0.53453%0.53SS..Hα-helixtrans-65.4-39.9179.7-167.669.7000112.2R4 H5 Y6 I11 N12R4-L8 PolarHBondContact O-N 2.92Å; H5-L8 PolarHBondContact O-N 3.05Å; Y6-L8 VanDerWaalsContact C-N 3.28Å; Y6-L8 PolarHBondContact O-N 3.2Å; L8-I11 PolarHBondContact O-N 2.93Å; L8-N12 WeakPolarHBondContact O-CB 3.44Å; L8-N12 PolarHBondContact O-N 2.85Å
9A68.7Low65.7Low51 Ų51108.2 Ų108.242%0.42153%0.529SS..Hα-helixtrans-63.1-44.2175.300000111.7H5 Y6 N12 V13H5-A9 PolarHBondContact O-N 3.39Å; Y6-A9 PolarHBondContact O-N 2.88Å; A9-N12 PolarHBondContact O-N 2.6Å; A9-V13 WeakPolarHBondContact O-CG2 3.24Å; A9-V13 PolarHBondContact O-N 3.33Å
10I72.4Confident65.5Low68 Ų68104.7 Ų104.735%0.34951%0.513SS..Hα-helixtrans-62.5-46.6176.5-70.1171.6000110.9Y6 L7 N12 V13 I14Y6-I10 HydrophobicContact CD1-CD1 3.58Å; Y6-I10 HydrophobicContact CD1-CG1 4.49Å; Y6-I10 HydrophobicContact CE1-CD1 3.14Å; Y6-I10 HydrophobicContact CE1-CG1 4.22Å; Y6-I10 HydrophobicContact CE2-CD1 4.42Å; Y6-I10 HydrophobicContact CG-CD1 4.39Å; Y6-I10 WeakPolarHBondContact O-CG1 3.5Å; Y6-I10 PolarHBondContact O-N 2.93Å; L7-I10 PolarHBondContact O-N 2.85Å; I10-N12 VanDerWaalsContact C-N 3.29Å; I10-N12 PolarHBondContact O-N 3.22Å; I10-V13 PolarHBondContact O-N 3.22Å; I10-I14 HydrophobicContact CG2-CD1 3.62Å; I10-I14 HydrophobicContact CG2-CG1 4.27Å; I10-I14 VanDerWaalsContact O-CG1 3.32Å; I10-I14 WeakPolarHBondContact O-CG1 3.41Å; I10-I14 PolarHBondContact O-N 2.93Å
11I72.9Confident65Low77 Ų77105.8 Ų105.840%0.39552%0.517SS..Hα-helixtrans-58.6-44.5178.1-68.9163.4000110.1L7 L8 V13 I14 V15L7-I11 HydrophobicContact CD2-CD1 3.84Å; L7-I11 HydrophobicContact CG-CD1 3.91Å; L7-I11 WeakPolarHBondContact O-CD1 3.2Å; L7-I11 WeakPolarHBondContact O-CG1 3.45Å; L7-I11 PolarHBondContact O-N 3.44Å; L8-I11 PolarHBondContact O-N 2.93Å; I11-V13 VanDerWaalsContact C-N 3.34Å; I11-V13 PolarHBondContact O-N 3.44Å; I11-I14 PolarHBondContact O-N 2.89Å; I11-V15 HydrophobicContact CG2-CG2 4.26Å; I11-V15 VanDerWaalsContact O-CG2 3.3Å; I11-V15 WeakPolarHBondContact O-CG2 3.24Å; I11-V15 PolarHBondContact O-N 3.35Å
12N70.7Confident65.2Low101 Ų101104.8 Ų104.854%0.5450%0.504SS..Hα-helixtrans-62-40.6177.7-78.6-15.9000112.5L8 A9 I10 L16L8-N12 WeakPolarHBondContact O-CB 3.44Å; L8-N12 PolarHBondContact O-N 2.85Å; A9-N12 PolarHBondContact O-N 2.6Å; I10-N12 VanDerWaalsContact C-N 3.29Å; I10-N12 PolarHBondContact O-N 3.22Å; N12-L16 VanDerWaalsContact O-CB 3.31Å; N12-L16 WeakPolarHBondContact O-CB 3.43Å; N12-L16 PolarHBondContact O-N 3.48Å
13V71.9Confident65.3Low61 Ų61102.7 Ų102.737%0.3751%0.508SS..Hα-helixtrans-66.4-41176.5172.40000111.4A9 I10 I11 L16 S17 V65A9-V13 WeakPolarHBondContact O-CG2 3.24Å; A9-V13 PolarHBondContact O-N 3.33Å; I10-V13 PolarHBondContact O-N 3.22Å; I11-V13 VanDerWaalsContact C-N 3.34Å; I11-V13 PolarHBondContact O-N 3.44Å; V13-L16 PolarHBondContact O-N 2.96Å; V13-S17 WeakPolarHBondContact O-CB 3.34Å; V13-S17 PolarHBondContact O-N 3.39Å; V13-V65 HydrophobicContact CG1-CG1 4.21Å; V13-V65 HydrophobicContact CG2-CG1 3.56Å
14I72.3Confident65.1Low95 Ų9596.5 Ų96.549%0.48749%0.489SS..Hα-helixtrans-64.1-48.6177.4-67.2168.6000110.5I10 I11 L16 S17 T18I10-I14 HydrophobicContact CG2-CD1 3.62Å; I10-I14 HydrophobicContact CG2-CG1 4.27Å; I10-I14 VanDerWaalsContact O-CG1 3.32Å; I10-I14 WeakPolarHBondContact O-CG1 3.41Å; I10-I14 PolarHBondContact O-N 2.93Å; I11-I14 PolarHBondContact O-N 2.89Å; I14-L16 VanDerWaalsContact C-N 3.28Å; I14-L16 PolarHBondContact O-N 2.71Å; I14-S17 PolarHBondContact O-N 2.67Å; I14-S17 VanDerWaalsContact O-N 3.14Å; I14-T18 HydrophobicContact CG2-CG2 4.47Å; I14-T18 WeakPolarHBondContact O-CG2 3.39Å; I14-T18 PolarHBondContact O-N 3.36Å; I14-T18 PolarHBondContact O-OG1 2.74Å
15V72.2Confident64.6Low78 Ų7890 Ų9047%0.47347%0.474SS..Hα-helixtrans-61-38.9178.4172.40000111.3I11 T18 M19I11-V15 HydrophobicContact CG2-CG2 4.26Å; I11-V15 VanDerWaalsContact O-CG2 3.3Å; I11-V15 WeakPolarHBondContact O-CG2 3.24Å; I11-V15 PolarHBondContact O-N 3.35Å; V15-T18 WeakPolarHBondContact CA-OG1 3.34Å; V15-T18 PolarHBondContact O-N 3.49Å; V15-T18 PolarHBondContact O-OG1 3.29Å; V15-M19 WeakPolarHBondContact O-CG 2.99Å; V15-M19 PolarHBondContact O-N 3.35Å
16L73.4Confident64Low81 Ų8185.3 Ų85.342%0.42446%0.458SS..Hα-helixtrans-66.7-41.5175.7-172.162.7000111.5N12 V13 I14 M19 I20 I61N12-L16 VanDerWaalsContact O-CB 3.31Å; N12-L16 WeakPolarHBondContact O-CB 3.43Å; N12-L16 PolarHBondContact O-N 3.48Å; V13-L16 PolarHBondContact O-N 2.96Å; I14-L16 VanDerWaalsContact C-N 3.28Å; I14-L16 PolarHBondContact O-N 2.71Å; L16-M19 PolarHBondContact O-N 3.49Å; L16-I20 HydrophobicContact CG-CD1 4.24Å; L16-I20 VanDerWaalsContact O-CG1 3.28Å; L16-I20 WeakPolarHBondContact O-CG1 3.48Å; L16-I20 PolarHBondContact O-N 3.38Å; L16-I61 HydrophobicContact CD2-CG2 3.95Å
17S65Low63.6Low54 Ų5482.4 Ų82.438%0.37846%0.461SS..Hα-helixtrans-64.1-39.8177-1690000112.2V13 I14 I20 Q21V13-S17 WeakPolarHBondContact O-CB 3.34Å; V13-S17 PolarHBondContact O-N 3.39Å; I14-S17 PolarHBondContact O-N 2.67Å; I14-S17 VanDerWaalsContact O-N 3.14Å; S17-I20 PolarHBondContact O-N 3.23Å; S17-Q21 WeakPolarHBondContact O-CG 3.08Å; S17-Q21 PolarHBondContact O-N 3.01Å
18T61.2Low62.6Low66 Ų6683.7 Ų83.741%0.40547%0.467SS..Hα-helixtrans-69.8-37176.757.80000112.2I14 V15 I20 Q21 Y22I14-T18 HydrophobicContact CG2-CG2 4.47Å; I14-T18 WeakPolarHBondContact O-CG2 3.39Å; I14-T18 PolarHBondContact O-N 3.36Å; I14-T18 PolarHBondContact O-OG1 2.74Å; V15-T18 WeakPolarHBondContact CA-OG1 3.34Å; V15-T18 PolarHBondContact O-N 3.49Å; V15-T18 PolarHBondContact O-OG1 3.29Å; T18-I20 VanDerWaalsContact C-N 3.34Å; T18-Q21 PolarHBondContact O-N 2.91Å; T18-Y22 WeakPolarHBondContact O-CB 3.28Å; T18-Y22 PolarHBondContact O-N 2.94Å
19M61.9Low61.7Low104 Ų10487.9 Ų87.951%0.51248%0.481SS..Hα-helixtrans-62.3-41.5172.1-73.5-67.9103.900111.6V15 L16 Y22 V23V15-M19 WeakPolarHBondContact O-CG 2.99Å; V15-M19 PolarHBondContact O-N 3.35Å; L16-M19 PolarHBondContact O-N 3.49Å; M19-Y22 PolarHBondContact O-N 3.36Å; M19-V23 VanDerWaalsContact O-CG2 3.28Å; M19-V23 WeakPolarHBondContact O-CG2 3.18Å; M19-V23 PolarHBondContact O-N 2.93Å
20I61.5Low60.5Low39 Ų3988.3 Ų88.320%0.249%0.49CS..Hα-helixtrans-62.5-46.5175.1-69.6164.6000110.8L16 S17 T18 Y22 V23 I24 I58 I61L16-I20 HydrophobicContact CG-CD1 4.24Å; L16-I20 VanDerWaalsContact O-CG1 3.28Å; L16-I20 WeakPolarHBondContact O-CG1 3.48Å; L16-I20 PolarHBondContact O-N 3.38Å; S17-I20 PolarHBondContact O-N 3.23Å; T18-I20 VanDerWaalsContact C-N 3.34Å; I20-Y22 VanDerWaalsContact C-N 3.27Å; I20-Y22 PolarHBondContact O-N 2.8Å; I20-V23 PolarHBondContact O-N 3.16Å; I20-I24 HydrophobicContact CG2-CD1 3.77Å; I20-I24 WeakPolarHBondContact O-CG1 3.38Å; I20-I24 PolarHBondContact O-N 3.09Å; I20-I58 HydrophobicContact CG2-CD1 3.83Å; I20-I58 HydrophobicContact CG2-CG1 3.76Å; I20-I61 HydrophobicContact CD1-CD1 4.47Å
21Q55.6Low59.3Low127 Ų12790.7 Ų90.759%0.59350%0.504SS*.Hα-helixtrans-64.2-31.7175.9-72.2179.332.300112.3S17 T18 G25S17-Q21 WeakPolarHBondContact O-CG 3.08Å; S17-Q21 PolarHBondContact O-N 3.01Å; T18-Q21 PolarHBondContact O-N 2.91Å; Q21-G25 WeakPolarHBondContact O-CA 3.27Å; Q21-G25 PolarHBondContact O-N 3.35Å
22Y56.4Low57.9Low162 Ų16293.1 Ų93.164%0.63552%0.518SS*.Hα-helixtrans-74.6-35.2174.5-169.3-93.7000111.8T18 M19 I20 I24 G26T18-Y22 WeakPolarHBondContact O-CB 3.28Å; T18-Y22 PolarHBondContact O-N 2.94Å; M19-Y22 PolarHBondContact O-N 3.36Å; I20-Y22 VanDerWaalsContact C-N 3.27Å; I20-Y22 PolarHBondContact O-N 2.8Å; Y22-I24 VanDerWaalsContact C-N 3.32Å; Y22-I24 PolarHBondContact O-N 2.94Å; Y22-G26 WeakPolarHBondContact O-CA 3.38Å; Y22-G26 PolarHBondContact O-N 2.81Å
23V58Low56.9Low121 Ų12195 Ų9573%0.73353%0.533SS*.Hα-helixtrans-67.7-35.3173.9170.90000111.1M19 I20M19-V23 VanDerWaalsContact O-CG2 3.28Å; M19-V23 WeakPolarHBondContact O-CG2 3.18Å; M19-V23 PolarHBondContact O-N 2.93Å; I20-V23 PolarHBondContact O-N 3.16Å
24I54Low55.8Low81 Ų8196.6 Ų96.642%0.41555%0.547SS..Hα-helixtrans-88.9-39.9-178.8-63.7168000112.4I20 Y22 I58I20-I24 HydrophobicContact CG2-CD1 3.77Å; I20-I24 WeakPolarHBondContact O-CG1 3.38Å; I20-I24 PolarHBondContact O-N 3.09Å; Y22-I24 VanDerWaalsContact C-N 3.32Å; Y22-I24 PolarHBondContact O-N 2.94Å; I24-I58 HydrophobicContact CD1-CD1 3.47Å; I24-I58 VanDerWaalsContact CD1-CD1 3.47Å
25G48.9Very low54.5Low32 Ų3297 Ų9733%0.3355%0.554SS.*Hα-helixtrans-106.4-7.8-175.300000114.8Q21 S27 I28Q21-G25 WeakPolarHBondContact O-CA 3.27Å; Q21-G25 PolarHBondContact O-N 3.35Å; G25-S27 PolarHBondContact O-N 3.34Å; G25-I28 WeakPolarHBondContact O-CD1 3.5Å; G25-I28 WeakPolarHBondContact O-CG1 3.23Å; G25-I28 PolarHBondContact O-N 3.24Å
26G47Very low53Low20 Ų2099.5 Ų99.521%0.20657%0.569CS.*G310 helixtrans-78.6-1.4177.400000114.3Y22 I28Y22-G26 WeakPolarHBondContact O-CA 3.38Å; Y22-G26 PolarHBondContact O-N 2.81Å; G26-I28 PolarHBondContact O-N 3.02Å
27S51.5Low51.5Low99 Ų99103.6 Ų103.669%0.69258%0.584SS**G310 helixtrans-8718.1165.7-168.60000113.1G25G25-S27 PolarHBondContact O-N 3.34Å
28I49Very low50.7Low139 Ų139108.3 Ų108.371%0.71361%0.605SS**G310 helixtrans-92.8-20.5169.7-46.5164.1000111G25 G26G25-I28 WeakPolarHBondContact O-CD1 3.5Å; G25-I28 WeakPolarHBondContact O-CG1 3.23Å; G25-I28 PolarHBondContact O-N 3.24Å; G26-I28 PolarHBondContact O-N 3.02Å
29F51.2Low49.6Very low189 Ų189114 Ų11483%0.82963%0.629SS**SBendtrans-99.98.6172-69.1-74.4000113.3
30G44.1Very low48.6Very low60 Ų60115 Ų11562%0.61964%0.641SS**SBendtrans-96.93.3-178.300000115.3
31D46Very low48Very low118 Ų118118.7 Ų118.763%0.63167%0.666SS**  trans-133.874.7173.2-146.22.5000109T33D31-T33 VanDerWaalsContact C-N 3.32Å; D31-T33 PolarHBondContact O-N 2.83Å
32D44.9Very low47.6Very low129 Ų129119.3 Ų119.369%0.6968%0.678SS**  trans-44.6103.1154.8-81.8-44.4000108.4S34D32-S34 WeakPolarHBondContact O-CA 3.41Å; D32-S34 VanDerWaalsContact O-CB 3.24Å; D32-S34 WeakPolarHBondContact O-CB 3.39Å; D32-S34 PolarHBondContact O-N 3.49Å; D32-S34 PolarHBondContact O-OG 3Å
33T48.5Very low47.1Very low141 Ų141117.6 Ų117.687%0.86569%0.685SS**SBendtrans22.842.1132.5-23.50000117.3D31D31-T33 VanDerWaalsContact C-N 3.32Å; D31-T33 PolarHBondContact O-N 2.83Å
34S48.9Very low46.7Very low94 Ų94121 Ų12166%0.65769%0.69SS**  trans-137.9-0.4-173.272.80000114D32D32-S34 WeakPolarHBondContact O-CA 3.41Å; D32-S34 VanDerWaalsContact O-CB 3.24Å; D32-S34 WeakPolarHBondContact O-CB 3.39Å; D32-S34 PolarHBondContact O-N 3.49Å; D32-S34 PolarHBondContact O-OG 3Å
35T44.3Very low46.4Very low104 Ų104121.1 Ų121.164%0.63870%0.703SS**  trans-108.446.5169.9-11.60000112.6K37T35-K37 PolarHBondContact O-N 3.21Å
36T42.4Very low46.1Very low129 Ų129123.8 Ų123.879%0.79172%0.717SS**  trans-61.977.6142.4-60.30000108
37K40.8Very low46.2Very low168 Ų168125.6 Ų125.673%0.7373%0.726SS**SBendtrans168.9114.3149.3-96162.9-178.7-179.40111.2T35T35-K37 PolarHBondContact O-N 3.21Å
38N48.5Very low46.2Very low153 Ų153123.2 Ų123.282%0.81871%0.712SS**  trans58.279.5143.4-62.731000118.5
39M38.4Very low46.4Very low186 Ų186121.6 Ų121.692%0.91671%0.705SS**  trans-156.697.5135.4-146.6162-175.700111.4T41M39-T41 PolarHBondContact O-N 3.45Å
40T40.3Very low46.3Very low125 Ų125115.7 Ų115.777%0.76769%0.688SS**  trans-68.1119.8171.6-210000109.3
41T50.2Low46.8Very low116 Ų116117.8 Ų117.871%0.71268%0.684SS**SBendtrans55.6102.7147.6490000119.5M39M39-T41 PolarHBondContact O-N 3.45Å
42T45.2Very low47.2Very low139 Ų139118.4 Ų118.485%0.85368%0.683SS**  trans-163.65.413823.60000117.5
43T47.1Very low48.1Very low126 Ų126116.9 Ų116.977%0.77368%0.678SS**  trans-109.220.8-178.814.10000116.4A45T43-A45 VanDerWaalsContact C-N 3.28Å; T43-A45 PolarHBondContact O-N 3.2Å
44K49.1Very low48.9Very low192 Ų192112.3 Ų112.384%0.83565%0.652SS**SBendtrans-77-9.2169.4-79.2-170.2178.2-1790114.3S47K44-S47 PolarHBondContact O-OG 2.85Å
45A47Very low49.6Very low84 Ų84116.6 Ų116.669%0.69465%0.654SS**SBendtrans-80.4-22.6-179.400000113.7T43T43-A45 VanDerWaalsContact C-N 3.28Å; T43-A45 PolarHBondContact O-N 3.2Å
46S44.3Very low50.9Low89 Ų89117.4 Ų117.462%0.62265%0.653SS**SBendtrans-95.2-12.3-176.8-167.90000114.4
47S48.4Very low52.2Low57 Ų57113.4 Ų113.440%0.39963%0.634SS.*Hα-helixtrans-83.8-23.1-177.856.40000113.7K44 S50 L51K44-S47 PolarHBondContact O-OG 2.85Å; S47-S50 PolarHBondContact O-OG 3.45Å; S47-L51 WeakPolarHBondContact O-CB 3.44Å; S47-L51 PolarHBondContact O-N 2.9Å; S47-L51 VanDerWaalsContact O-N 3.11Å
48A51.4Low53.6Low49 Ų49107.1 Ų107.141%0.40561%0.608SS.*Hα-helixtrans-66.1-46.6177.300000111.2S50 L51 E52A48-S50 VanDerWaalsContact C-N 3.34Å; A48-S50 PolarHBondContact O-N 3.35Å; A48-L51 WeakPolarHBondContact O-CB 3.21Å; A48-L51 PolarHBondContact O-N 3.41Å; A48-E52 PolarHBondContact O-N 3.38Å
49N52.4Low54.7Low105 Ų105102 Ų10256%0.56158%0.584SS**Hα-helixtrans-63.7-37.6179.4-63.757.2000112.2V53N49-V53 VanDerWaalsContact O-CG2 3.24Å; N49-V53 WeakPolarHBondContact O-CG2 3.39Å; N49-V53 PolarHBondContact O-N 2.89Å
50S50.6Low56.3Low66 Ų6696.2 Ų96.246%0.46256%0.562SS.*Hα-helixtrans-70.2-34.5176.759.70000112.4S47 A48 S54S47-S50 PolarHBondContact O-OG 3.45Å; A48-S50 VanDerWaalsContact C-N 3.34Å; A48-S50 PolarHBondContact O-N 3.35Å; S50-S54 WeakPolarHBondContact O-CB 3.28Å; S50-S54 PolarHBondContact O-N 2.95Å; S50-S54 PolarHBondContact O-OG 2.92Å
51L55Low58Low103 Ų10393.2 Ų93.254%0.53954%0.541SS..Hα-helixtrans-66.6-43.3172.7-95150.9000112.3S47 A48 S54 W55S47-L51 WeakPolarHBondContact O-CB 3.44Å; S47-L51 PolarHBondContact O-N 2.9Å; S47-L51 VanDerWaalsContact O-N 3.11Å; A48-L51 WeakPolarHBondContact O-CB 3.21Å; A48-L51 PolarHBondContact O-N 3.41Å; L51-S54 WeakPolarHBondContact O-CB 3.44Å; L51-S54 PolarHBondContact O-N 2.9Å; L51-W55 PolarHBondContact O-N 3.14Å
52E54.4Low59.1Low131 Ų13190.3 Ų90.361%0.61253%0.525SS*.Hα-helixtrans-63.7-43.6176.4-73.1-176177.200112A48 S54 W55 L56A48-E52 PolarHBondContact O-N 3.38Å; E52-S54 VanDerWaalsContact C-N 3.28Å; E52-S54 PolarHBondContact O-N 3.49Å; E52-W55 PolarHBondContact O-N 3.38Å; E52-L56 WeakPolarHBondContact O-CG 3.31Å; E52-L56 PolarHBondContact O-N 3.26Å
53V62.7Low60.6Low98 Ų9890.1 Ų90.159%0.59452%0.516SS*.Hα-helixtrans-62.1-39.8173.8173.40000110.6N49 L56 A57N49-V53 VanDerWaalsContact O-CG2 3.24Å; N49-V53 WeakPolarHBondContact O-CG2 3.39Å; N49-V53 PolarHBondContact O-N 2.89Å; V53-L56 PolarHBondContact O-N 2.91Å; V53-A57 VanDerWaalsContact O-CB 3.28Å; V53-A57 WeakPolarHBondContact O-CB 3.28Å; V53-A57 PolarHBondContact O-N 3.38Å
54S65.7Low61.9Low44 Ų4488.9 Ų88.931%0.30850%0.503SS..Hα-helixtrans-62.1-44.4175.5-61.30000111S50 L51 E52 A57 I58S50-S54 WeakPolarHBondContact O-CB 3.28Å; S50-S54 PolarHBondContact O-N 2.95Å; S50-S54 PolarHBondContact O-OG 2.92Å; L51-S54 WeakPolarHBondContact O-CB 3.44Å; L51-S54 PolarHBondContact O-N 2.9Å; E52-S54 VanDerWaalsContact C-N 3.28Å; E52-S54 PolarHBondContact O-N 3.49Å; S54-A57 PolarHBondContact O-N 3.03Å; S54-I58 WeakPolarHBondContact O-CB 3.44Å; S54-I58 VanDerWaalsContact O-CD1 3.27Å; S54-I58 WeakPolarHBondContact O-CD1 3.42Å; S54-I58 WeakPolarHBondContact O-CG1 3.37Å; S54-I58 PolarHBondContact O-N 2.8Å
55W63.9Low63.2Low184 Ų18481 Ų8170%0.69747%0.472SS*.Hα-helixtrans-64.9-43.2178.3-171.6-106.4000112.7L51 E52 I58 S59L51-W55 PolarHBondContact O-N 3.14Å; E52-W55 PolarHBondContact O-N 3.38Å; W55-I58 HydrophobicContact CE3-CD1 4.44Å; W55-I58 PolarHBondContact O-N 3.41Å; W55-S59 WeakPolarHBondContact O-CB 3.32Å; W55-S59 PolarHBondContact O-N 2.97Å
56L72Confident64.6Low121 Ų12181.6 Ų81.663%0.63446%0.462SS*.Hα-helixtrans-62.6-43175.2-71.8171.9000111.7E52 V53 S59 S60E52-L56 WeakPolarHBondContact O-CG 3.31Å; E52-L56 PolarHBondContact O-N 3.26Å; V53-L56 PolarHBondContact O-N 2.91Å; L56-S59 PolarHBondContact O-N 3.25Å; L56-S60 WeakPolarHBondContact O-CB 3.36Å; L56-S60 PolarHBondContact O-N 3.28Å
57A69.3Low66.1Low46 Ų4679.3 Ų79.338%0.3845%0.453SS..Hα-helixtrans-61.8-43.5176.200000111.3V53 S54 S60 I61V53-A57 VanDerWaalsContact O-CB 3.28Å; V53-A57 WeakPolarHBondContact O-CB 3.28Å; V53-A57 PolarHBondContact O-N 3.38Å; S54-A57 PolarHBondContact O-N 3.03Å; A57-S60 WeakPolarHBondContact O-CB 3.45Å; A57-S60 PolarHBondContact O-N 2.85Å; A57-I61 WeakPolarHBondContact O-CD1 3.38Å; A57-I61 VanDerWaalsContact O-CG1 3.23Å; A57-I61 WeakPolarHBondContact O-CG1 3.5Å; A57-I61 PolarHBondContact O-N 3.3Å
58I70.4Confident67.4Low36 Ų3681.3 Ų81.319%0.18546%0.458CS..Hα-helixtrans-62.7-49.5176-65.7160.4000110.6I20 I24 S54 W55 S60 I61 S62I20-I58 HydrophobicContact CG2-CD1 3.83Å; I20-I58 HydrophobicContact CG2-CG1 3.76Å; I24-I58 HydrophobicContact CD1-CD1 3.47Å; I24-I58 VanDerWaalsContact CD1-CD1 3.47Å; S54-I58 WeakPolarHBondContact O-CB 3.44Å; S54-I58 VanDerWaalsContact O-CD1 3.27Å; S54-I58 WeakPolarHBondContact O-CD1 3.42Å; S54-I58 WeakPolarHBondContact O-CG1 3.37Å; S54-I58 PolarHBondContact O-N 2.8Å; W55-I58 HydrophobicContact CE3-CD1 4.44Å; W55-I58 PolarHBondContact O-N 3.41Å; I58-S60 PolarHBondContact O-N 2.92Å; I58-I61 PolarHBondContact O-N 3.5Å; I58-I61 VanDerWaalsContact O-N 3.16Å; I58-S62 WeakPolarHBondContact O-CB 3.32Å; I58-S62 PolarHBondContact O-N 3.45Å; I58-S62 PolarHBondContact O-OG 2.92Å; I58-S62 VanDerWaalsContact O-OG 3.09Å
59S71.2Confident68.5Low46 Ų4683 Ų8332%0.32246%0.46SS..Hα-helixtrans-57.5-40.6178.8-175.10000111.1W55 L56 S62 M63W55-S59 WeakPolarHBondContact O-CB 3.32Å; W55-S59 PolarHBondContact O-N 2.97Å; L56-S59 PolarHBondContact O-N 3.25Å; S59-S62 PolarHBondContact O-N 2.83Å; S59-M63 WeakPolarHBondContact O-CG 3.34Å; S59-M63 PolarHBondContact O-N 3.34Å
60S72.5Confident69.5Low64 Ų6482.4 Ų82.445%0.44846%0.456SS..Hα-helixtrans-63.8-48.9175.8-175.20000112L56 A57 I58 S62 M63 I64L56-S60 WeakPolarHBondContact O-CB 3.36Å; L56-S60 PolarHBondContact O-N 3.28Å; A57-S60 WeakPolarHBondContact O-CB 3.45Å; A57-S60 PolarHBondContact O-N 2.85Å; I58-S60 PolarHBondContact O-N 2.92Å; S60-S62 VanDerWaalsContact C-N 3.33Å; S60-S62 PolarHBondContact O-N 3.17Å; S60-M63 PolarHBondContact O-N 3.39Å; S60-I64 WeakPolarHBondContact O-CG1 3.31Å; S60-I64 PolarHBondContact O-N 2.89Å
61I75.2Confident70.5Confident62 Ų6281 Ų8132%0.31845%0.453SS..Hα-helixtrans-60.2-43.6176.9-66.9160.8000110.7L16 I20 A57 I58 M63 I64 V65L16-I61 HydrophobicContact CD2-CG2 3.95Å; I20-I61 HydrophobicContact CD1-CD1 4.47Å; A57-I61 WeakPolarHBondContact O-CD1 3.38Å; A57-I61 VanDerWaalsContact O-CG1 3.23Å; A57-I61 WeakPolarHBondContact O-CG1 3.5Å; A57-I61 PolarHBondContact O-N 3.3Å; I58-I61 PolarHBondContact O-N 3.5Å; I58-I61 VanDerWaalsContact O-N 3.16Å; I61-M63 PolarHBondContact O-N 3.34Å; I61-I64 PolarHBondContact O-N 2.95Å; I61-V65 HydrophobicContact CG2-CG2 4.31Å; I61-V65 VanDerWaalsContact O-CG2 3.31Å; I61-V65 WeakPolarHBondContact O-CG2 3.34Å; I61-V65 PolarHBondContact O-N 3.01Å
62S74.4Confident70.8Confident55 Ų5582 Ų8239%0.38546%0.455SS..Hα-helixtrans-60.3-43.2176.8-64.50000111.9I58 S59 S60 I64 V65 I66I58-S62 WeakPolarHBondContact O-CB 3.32Å; I58-S62 PolarHBondContact O-N 3.45Å; I58-S62 PolarHBondContact O-OG 2.92Å; I58-S62 VanDerWaalsContact O-OG 3.09Å; S59-S62 PolarHBondContact O-N 2.83Å; S60-S62 VanDerWaalsContact C-N 3.33Å; S60-S62 PolarHBondContact O-N 3.17Å; S62-I64 PolarHBondContact O-N 2.83Å; S62-V65 PolarHBondContact O-N 3.43Å; S62-I66 WeakPolarHBondContact O-CB 3.32Å; S62-I66 WeakPolarHBondContact O-CD1 3.3Å; S62-I66 WeakPolarHBondContact O-CG1 3.27Å; S62-I66 PolarHBondContact O-N 3.44Å
63M74.8Confident71.4Confident134 Ų13481.3 Ų81.366%0.6645%0.454SS*.Hα-helixtrans-63.1-40.6175.2-72.9-168.5-16500112.2S59 S60 I61 I66 G67S59-M63 WeakPolarHBondContact O-CG 3.34Å; S59-M63 PolarHBondContact O-N 3.34Å; S60-M63 PolarHBondContact O-N 3.39Å; I61-M63 PolarHBondContact O-N 3.34Å; M63-I66 PolarHBondContact O-N 3.01Å; M63-G67 PolarHBondContact O-N 3.34Å
64I76.4Confident71.4Confident100 Ų10084.7 Ų84.751%0.51346%0.456SS..Hα-helixtrans-62.6-46.4176-66163.9000110.4S60 I61 S62 G67 L68S60-I64 WeakPolarHBondContact O-CG1 3.31Å; S60-I64 PolarHBondContact O-N 2.89Å; I61-I64 PolarHBondContact O-N 2.95Å; S62-I64 PolarHBondContact O-N 2.83Å; I64-G67 PolarHBondContact O-N 2.87Å; I64-L68 HydrophobicContact CG2-CD1 4.05Å; I64-L68 HydrophobicContact CG2-CG 4.44Å; I64-L68 WeakPolarHBondContact O-CG 3.48Å; I64-L68 PolarHBondContact O-N 3.36Å
65V75.2Confident71.1Confident28 Ų2892.2 Ų92.217%0.1748%0.478CS..Hα-helixtrans-61.6-46.6178.6170.90000110.8V13 I61 S62 G67 L68 I69V13-V65 HydrophobicContact CG1-CG1 4.21Å; V13-V65 HydrophobicContact CG2-CG1 3.56Å; I61-V65 HydrophobicContact CG2-CG2 4.31Å; I61-V65 VanDerWaalsContact O-CG2 3.31Å; I61-V65 WeakPolarHBondContact O-CG2 3.34Å; I61-V65 PolarHBondContact O-N 3.01Å; S62-V65 PolarHBondContact O-N 3.43Å; V65-G67 VanDerWaalsContact C-N 3.32Å; V65-G67 PolarHBondContact O-N 3.42Å; V65-L68 PolarHBondContact O-N 3.24Å; V65-I69 HydrophobicContact CG1-CD1 3.77Å; V65-I69 HydrophobicContact CG1-CG1 4.49Å; V65-I69 VanDerWaalsContact O-CG1 3.25Å; V65-I69 WeakPolarHBondContact O-CG1 3.28Å; V65-I69 PolarHBondContact O-N 3.46Å
66I76.1Confident70.7Confident96 Ų9689.3 Ų89.349%0.49247%0.47SS..Hα-helixtrans-61.8-42176.4-67.8163.8000110.6S62 M63 I69 N70S62-I66 WeakPolarHBondContact O-CB 3.32Å; S62-I66 WeakPolarHBondContact O-CD1 3.3Å; S62-I66 WeakPolarHBondContact O-CG1 3.27Å; S62-I66 PolarHBondContact O-N 3.44Å; M63-I66 PolarHBondContact O-N 3.01Å; I66-I69 PolarHBondContact O-N 2.81Å; I66-N70 WeakPolarHBondContact CG2-ND2 3.25Å; I66-N70 WeakPolarHBondContact O-CB 3.44Å; I66-N70 VanDerWaalsContact O-CG 3.27Å; I66-N70 PolarHBondContact O-N 3.33Å; I66-N70 PolarHBondContact O-ND2 3.36Å
67G75.4Confident70Confident41 Ų4190.3 Ų90.342%0.42348%0.475SS..Hα-helixtrans-62.1-41.6176.100000112.9M63 I64 V65 N70 G71M63-G67 PolarHBondContact O-N 3.34Å; I64-G67 PolarHBondContact O-N 2.87Å; V65-G67 VanDerWaalsContact C-N 3.32Å; V65-G67 PolarHBondContact O-N 3.42Å; G67-N70 PolarHBondContact O-N 3.18Å; G67-G71 PolarHBondContact O-N 3.37Å
68L75.8Confident69.1Low99 Ų9998 Ų9852%0.51850%0.5SS..Hα-helixtrans-64.8-45.3174.7-73.4170.6000111.3I64 V65 G71 H72I64-L68 HydrophobicContact CG2-CD1 4.05Å; I64-L68 HydrophobicContact CG2-CG 4.44Å; I64-L68 WeakPolarHBondContact O-CG 3.48Å; I64-L68 PolarHBondContact O-N 3.36Å; V65-L68 PolarHBondContact O-N 3.24Å; L68-G71 PolarHBondContact O-N 3.34Å; L68-H72 VanDerWaalsContact O-CB 3.28Å; L68-H72 WeakPolarHBondContact O-CB 3.2Å; L68-H72 VanDerWaalsContact O-CG 3.27Å; L68-H72 PolarHBondContact O-N 3.08Å; L68-H72 PolarHBondContact O-ND1 2.98Å
69I74.2Confident69Low84 Ų84101.1 Ų101.143%0.43152%0.516SS..Hα-helixtrans-60.1-49.4176.3-67.6164.7000110.1V65 I66 H72 L73V65-I69 HydrophobicContact CG1-CD1 3.77Å; V65-I69 HydrophobicContact CG1-CG1 4.49Å; V65-I69 VanDerWaalsContact O-CG1 3.25Å; V65-I69 WeakPolarHBondContact O-CG1 3.28Å; V65-I69 PolarHBondContact O-N 3.46Å; I66-I69 PolarHBondContact O-N 2.81Å; I69-H72 PolarHBondContact O-N 3.42Å; I69-L73 VanDerWaalsContact O-CB 3.27Å; I69-L73 WeakPolarHBondContact O-CB 3.21Å; I69-L73 PolarHBondContact O-N 3.35Å
70N73.5Confident68.9Low92 Ų92104 Ų10449%0.49253%0.526SS..Hα-helixtrans-65.5-41.1179.7-73.7-25.8000112.2I66 G67 H72 L73 R74I66-N70 WeakPolarHBondContact CG2-ND2 3.25Å; I66-N70 WeakPolarHBondContact O-CB 3.44Å; I66-N70 VanDerWaalsContact O-CG 3.27Å; I66-N70 PolarHBondContact O-N 3.33Å; I66-N70 PolarHBondContact O-ND2 3.36Å; G67-N70 PolarHBondContact O-N 3.18Å; N70-H72 VanDerWaalsContact C-N 3.34Å; N70-L73 PolarHBondContact O-N 3.37Å; N70-R74 WeakPolarHBondContact O-CB 3.44Å; N70-R74 PolarHBondContact O-N 3.16Å
71G72.5Confident68.7Low38 Ų38106.2 Ų106.239%0.39253%0.53SS..Hα-helixtrans-64.3-39.1176.100000112.2G67 L68 R75G67-G71 PolarHBondContact O-N 3.37Å; L68-G71 PolarHBondContact O-N 3.34Å; G71-R75 WeakPolarHBondContact O-CB 3.45Å; G71-R75 PolarHBondContact O-N 3.28Å
72H61.9Low68.3Low124 Ų124108.8 Ų108.857%0.57454%0.543SS*.Hα-helixtrans-73.4-39.8176.7-74.627.7000112.1L68 I69 N70 R75 F76L68-H72 VanDerWaalsContact O-CB 3.28Å; L68-H72 WeakPolarHBondContact O-CB 3.2Å; L68-H72 VanDerWaalsContact O-CG 3.27Å; L68-H72 PolarHBondContact O-N 3.08Å; L68-H72 PolarHBondContact O-ND1 2.98Å; I69-H72 PolarHBondContact O-N 3.42Å; N70-H72 VanDerWaalsContact C-N 3.34Å; H72-R75 PolarHBondContact O-N 3.02Å; H72-F76 PolarHBondContact O-N 3.14Å; H72-F76 VanDerWaalsContact O-N 3.14Å
73L65.5Low67.9Low115 Ų115112.2 Ų112.260%0.60255%0.553SS**Hα-helixtrans-64.1-41.3174.1-170.865.7000111.1I69 N70 F76 I77I69-L73 VanDerWaalsContact O-CB 3.27Å; I69-L73 WeakPolarHBondContact O-CB 3.21Å; I69-L73 PolarHBondContact O-N 3.35Å; N70-L73 PolarHBondContact O-N 3.37Å; L73-F76 WeakPolarHBondContact O-CA 3.27Å; L73-F76 VanDerWaalsContact O-CB 3.27Å; L73-F76 WeakPolarHBondContact O-CB 3.47Å; L73-F76 PolarHBondContact O-N 3Å; L73-I77 PolarHBondContact O-N 3.13Å; L73-I77 VanDerWaalsContact O-N 3.16Å
74R64.3Low67.5Low170 Ų170110.7 Ų110.764%0.64255%0.546SS*.Hα-helixtrans-63.8-39.1174-178.4174.7173.1-91-2.6112.2N70 F76 I77 F78N70-R74 WeakPolarHBondContact O-CB 3.44Å; N70-R74 PolarHBondContact O-N 3.16Å; R74-F76 PolarHBondContact O-N 3.3Å; R74-I77 PolarHBondContact O-N 3.38Å; R74-F78 HydrophobicContact CG-CD2 4.22Å; R74-F78 HydrophobicContact CG-CE2 4.36Å; R74-F78 PolarHBondContact O-N 3.04Å
75R59.3Low66.8Low202 Ų202111.5 Ų111.576%0.76255%0.548SS*.Hα-helixtrans-67.5-13.9172.5-178.6172.7166.4-161.7-3.2113G71 H72 F78G71-R75 WeakPolarHBondContact O-CB 3.45Å; G71-R75 PolarHBondContact O-N 3.28Å; H72-R75 PolarHBondContact O-N 3.02Å; R75-F78 VanDerWaalsContact O-OXT 3.05Å
76F54.4Low66.2Low123 Ų123117.9 Ų117.954%0.53958%0.577SS.*Hα-helixtrans-92.1-25.4177.5-142.9-83.5000112.9Y2 H72 L73 R74Y2-F76 HydrophobicContact CD1-CD2 4.49Å; Y2-F76 AromaticContact CD1-CE2 3.24Å; Y2-F76 HydrophobicContact CD1-CE2 3.24Å; Y2-F76 AromaticContact CD1-CZ 3.48Å; Y2-F76 HydrophobicContact CD1-CZ 3.48Å; Y2-F76 VanDerWaalsContact CD1-CZ 3.48Å; Y2-F76 HydrophobicContact CD2-CE2 4.34Å; Y2-F76 AromaticContact CD2-CZ 3.7Å; Y2-F76 HydrophobicContact CD2-CZ 3.7Å; Y2-F76 AromaticContact CE1-CE2 3.63Å; Y2-F76 HydrophobicContact CE1-CE2 3.63Å; Y2-F76 AromaticContact CE1-CZ 3.84Å; Y2-F76 HydrophobicContact CE1-CZ 3.84Å; Y2-F76 HydrophobicContact CE2-CZ 4.08Å; Y2-F76 AromaticContact CG-CE2 3.61Å; Y2-F76 HydrophobicContact CG-CE2 3.61Å; Y2-F76 AromaticContact CG-CZ 3.36Å; Y2-F76 HydrophobicContact CG-CZ 3.36Å; H72-F76 PolarHBondContact O-N 3.14Å; H72-F76 VanDerWaalsContact O-N 3.14Å; L73-F76 WeakPolarHBondContact O-CA 3.27Å; L73-F76 VanDerWaalsContact O-CB 3.27Å; L73-F76 WeakPolarHBondContact O-CB 3.47Å; L73-F76 PolarHBondContact O-N 3Å; R74-F76 PolarHBondContact O-N 3.3Å
77I57.5Low65.4Low141 Ų141119.8 Ų119.872%0.72358%0.584SS**Hα-helixtrans-88.6-17.7-178.8-140.4157.3000113.2L73 R74L73-I77 PolarHBondContact O-N 3.13Å; L73-I77 VanDerWaalsContact O-N 3.16Å; R74-I77 PolarHBondContact O-N 3.38Å
78F50.3Low64.5Low208 Ų208126.9 Ų126.991%0.91260%0.599SS**  trans-108.10169-72.5-82.3000109.7R74 R75R74-F78 HydrophobicContact CG-CD2 4.22Å; R74-F78 HydrophobicContact CG-CE2 4.36Å; R74-F78 PolarHBondContact O-N 3.04Å; R75-F78 VanDerWaalsContact O-OXT 3.05Å

Retrieved 78 of 78 residues in 235.2 ms (Link to these results)