G4VJC1_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession G4VJC1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 80 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
1M63.3Low85Confident202 Ų202125.7 Ų125.7100%0.99562%0.622SS**  0-44.60-108.3175.7162.200112.8G3 K4M1-G3 PolarHBondContact O-N 2.85Å; M1-K4 PolarHBondContact O-N 2.82Å
2F71.8Confident85.7Confident172 Ų172122.8 Ų122.875%0.75461%0.609SS**Hα-helixtrans-51.1-43.4-177.9-78.5-85000115.9K4 I5 Q6F2-K4 PolarHBondContact O-N 2.75Å; F2-I5 PolarHBondContact O-N 2.89Å; F2-Q6 PolarHBondContact O-N 3.49Å; F2-Q6 VanDerWaalsContact O-N 3.14Å
3G80.7Confident86.3Confident38 Ų38118 Ų11839%0.39260%0.595SS.*Hα-helixtrans-63.3-34.2-178.800000114.8M1 I5 Q6 I7M1-G3 PolarHBondContact O-N 2.85Å; G3-I5 VanDerWaalsContact C-N 3.34Å; G3-I5 PolarHBondContact O-N 2.75Å; G3-Q6 PolarHBondContact O-N 3Å; G3-I7 WeakPolarHBondContact O-CD1 3.49Å; G3-I7 VanDerWaalsContact O-CG1 3.28Å; G3-I7 WeakPolarHBondContact O-CG1 3.24Å; G3-I7 PolarHBondContact O-N 3.12Å
4K84.5Confident86.8Confident175 Ų175114.5 Ų114.576%0.76158%0.583SS**Hα-helixtrans-67.7-37178.4-66.6-173.8179.4-176.20111.6M1 F2 L8M1-K4 PolarHBondContact O-N 2.82Å; F2-K4 PolarHBondContact O-N 2.75Å; K4-L8 WeakPolarHBondContact O-CB 3.33Å; K4-L8 PolarHBondContact O-N 3.18Å
5I88.7Confident87.2Confident95 Ų95113 Ų11349%0.48758%0.575SS.*Hα-helixtrans-68-42.5177.5-64.3164.2000110F2 G3 I7 L8 I9F2-I5 PolarHBondContact O-N 2.89Å; G3-I5 VanDerWaalsContact C-N 3.34Å; G3-I5 PolarHBondContact O-N 2.75Å; I5-I7 PolarHBondContact O-N 3.16Å; I5-L8 PolarHBondContact O-N 2.97Å; I5-I9 HydrophobicContact CG2-CD1 3.89Å; I5-I9 VanDerWaalsContact O-CG1 3.32Å; I5-I9 WeakPolarHBondContact O-CG1 3.37Å; I5-I9 PolarHBondContact O-N 2.82Å
6Q86.5Confident87.5Confident135 Ų135112.7 Ų112.763%0.63157%0.573SS**Hα-helixtrans-61.6-43.9176-71.4175.7-33.600112.3F2 G3 L8 I9 F10F2-Q6 PolarHBondContact O-N 3.49Å; F2-Q6 VanDerWaalsContact O-N 3.14Å; G3-Q6 PolarHBondContact O-N 3Å; Q6-L8 VanDerWaalsContact C-N 3.34Å; Q6-L8 PolarHBondContact O-N 3.49Å; Q6-I9 PolarHBondContact O-N 3.46Å; Q6-F10 WeakPolarHBondContact O-CB 3.42Å; Q6-F10 PolarHBondContact O-N 3.31Å
7I90.2Very high87.7Confident119 Ų119114.1 Ų114.161%0.6157%0.574SS**Hα-helixtrans-62.3-42176.1-67163.5000110.9G3 I5 F10 L11G3-I7 WeakPolarHBondContact O-CD1 3.49Å; G3-I7 VanDerWaalsContact O-CG1 3.28Å; G3-I7 WeakPolarHBondContact O-CG1 3.24Å; G3-I7 PolarHBondContact O-N 3.12Å; I5-I7 PolarHBondContact O-N 3.16Å; I7-F10 PolarHBondContact O-N 3.49Å; I7-L11 WeakPolarHBondContact O-CB 3.45Å; I7-L11 PolarHBondContact O-N 3.35Å
8L91.6Very high87.9Confident103 Ų103116.9 Ų116.954%0.53958%0.578SS.*Hα-helixtrans-62.4-44.9177.7-17866000111.9K4 I5 Q6 F10 L11 L12K4-L8 WeakPolarHBondContact O-CB 3.33Å; K4-L8 PolarHBondContact O-N 3.18Å; I5-L8 PolarHBondContact O-N 2.97Å; Q6-L8 VanDerWaalsContact C-N 3.34Å; Q6-L8 PolarHBondContact O-N 3.49Å; L8-F10 VanDerWaalsContact C-N 3.34Å; L8-L11 PolarHBondContact O-N 2.93Å; L8-L12 HydrophobicContact CG-CD1 4.26Å; L8-L12 WeakPolarHBondContact O-CG 3.28Å; L8-L12 PolarHBondContact O-N 3.16Å
9I91.6Very high87.8Confident106 Ų106113.6 Ų113.654%0.54457%0.568SS.*Hα-helixtrans-62.6-43.7177.6-67.7166.6000110.5I5 Q6 L11 L12 S13I5-I9 HydrophobicContact CG2-CD1 3.89Å; I5-I9 VanDerWaalsContact O-CG1 3.32Å; I5-I9 WeakPolarHBondContact O-CG1 3.37Å; I5-I9 PolarHBondContact O-N 2.82Å; Q6-I9 PolarHBondContact O-N 3.46Å; I9-L11 PolarHBondContact O-N 2.92Å; I9-L12 PolarHBondContact O-N 3.38Å; I9-S13 WeakPolarHBondContact O-CB 3.28Å; I9-S13 PolarHBondContact O-N 2.89Å; I9-S13 PolarHBondContact O-OG 3.26Å
10F92.6Very high87.6Confident141 Ų141114 Ų11462%0.61857%0.569SS**Hα-helixtrans-60.5-44.9176.8-176.5-99.6000111.8Q6 I7 L8 L12 S13 T14Q6-F10 WeakPolarHBondContact O-CB 3.42Å; Q6-F10 PolarHBondContact O-N 3.31Å; I7-F10 PolarHBondContact O-N 3.49Å; L8-F10 VanDerWaalsContact C-N 3.34Å; F10-L12 PolarHBondContact O-N 2.89Å; F10-S13 PolarHBondContact O-N 3.27Å; F10-S13 PolarHBondContact O-OG 3.25Å; F10-T14 PolarHBondContact O-N 2.9Å; F10-T14 PolarHBondContact O-OG1 2.86Å
11L93.6Very high87.3Confident97 Ų97112.1 Ų112.151%0.50856%0.559SS.*Hα-helixtrans-61.7-46.2178.1-165.5112000111.8I7 L8 I9 S13 T14 I15I7-L11 WeakPolarHBondContact O-CB 3.45Å; I7-L11 PolarHBondContact O-N 3.35Å; L8-L11 PolarHBondContact O-N 2.93Å; I9-L11 PolarHBondContact O-N 2.92Å; L11-S13 PolarHBondContact O-N 2.92Å; L11-T14 PolarHBondContact O-N 3.29Å; L11-I15 HydrophobicContact CD2-CD1 3.82Å; L11-I15 HydrophobicContact CG-CD1 4.22Å; L11-I15 WeakPolarHBondContact O-CG1 3.4Å; L11-I15 PolarHBondContact O-N 2.86Å
12L93.5Very high88Confident90 Ų90104.6 Ų104.647%0.47152%0.524SS..Hα-helixtrans-61-43.6176.9-73.4170.5000111.8L8 I9 F10 T14 I15 M16L8-L12 HydrophobicContact CG-CD1 4.26Å; L8-L12 WeakPolarHBondContact O-CG 3.28Å; L8-L12 PolarHBondContact O-N 3.16Å; I9-L12 PolarHBondContact O-N 3.38Å; F10-L12 PolarHBondContact O-N 2.89Å; L12-T14 VanDerWaalsContact C-N 3.31Å; L12-T14 PolarHBondContact O-N 2.88Å; L12-I15 PolarHBondContact O-N 2.77Å; L12-M16 VanDerWaalsContact O-CG 3.31Å; L12-M16 WeakPolarHBondContact O-CG 3.33Å; L12-M16 PolarHBondContact O-N 2.9Å
13S93Very high88.2Confident61 Ų6198.4 Ų98.443%0.42751%0.505SS..Hα-helixtrans-62.7-38.4177.972.80000112.4I9 F10 L11 M16 F17I9-S13 WeakPolarHBondContact O-CB 3.28Å; I9-S13 PolarHBondContact O-N 2.89Å; I9-S13 PolarHBondContact O-OG 3.26Å; F10-S13 PolarHBondContact O-N 3.27Å; F10-S13 PolarHBondContact O-OG 3.25Å; L11-S13 PolarHBondContact O-N 2.92Å; S13-M16 PolarHBondContact O-N 3.31Å; S13-F17 WeakPolarHBondContact O-CB 3.39Å; S13-F17 PolarHBondContact O-N 3.2Å
14T92.9Very high87.7Confident69 Ų69101.9 Ų101.942%0.42352%0.515SS..Hα-helixtrans-66-43.8178.1-52.70000111.1F10 L11 L12 F17 Y18F10-T14 PolarHBondContact O-N 2.9Å; F10-T14 PolarHBondContact O-OG1 2.86Å; L11-T14 PolarHBondContact O-N 3.29Å; L12-T14 VanDerWaalsContact C-N 3.31Å; L12-T14 PolarHBondContact O-N 2.88Å; T14-F17 PolarHBondContact O-N 3.06Å; T14-Y18 WeakPolarHBondContact O-CB 3.44Å; T14-Y18 PolarHBondContact O-N 3.48Å
15I93.3Very high86.7Confident92 Ų92100.8 Ų100.847%0.47251%0.51SS..Hα-helixtrans-62.7-44.6177-66.8164.8000110.6L11 L12 Y18 S19L11-I15 HydrophobicContact CD2-CD1 3.82Å; L11-I15 HydrophobicContact CG-CD1 4.22Å; L11-I15 WeakPolarHBondContact O-CG1 3.4Å; L11-I15 PolarHBondContact O-N 2.86Å; L12-I15 PolarHBondContact O-N 2.77Å; I15-Y18 PolarHBondContact O-N 2.96Å; I15-S19 PolarHBondContact O-N 3Å; I15-S19 PolarHBondContact O-OG 2.97Å
16M91.9Very high85.5Confident108 Ų108100 Ų10053%0.53251%0.506SS..Hα-helixtrans-64.2-40.8177.8-71.3-64.9162.900112.2L12 S13 S19 M20L12-M16 VanDerWaalsContact O-CG 3.31Å; L12-M16 WeakPolarHBondContact O-CG 3.33Å; L12-M16 PolarHBondContact O-N 2.9Å; S13-M16 PolarHBondContact O-N 3.31Å; M16-S19 PolarHBondContact O-N 3.3Å; M16-S19 PolarHBondContact O-OG 3.45Å; M16-M20 WeakPolarHBondContact O-CB 3.46Å; M16-M20 VanDerWaalsContact O-CG 3.3Å; M16-M20 WeakPolarHBondContact O-CG 2.84Å; M16-M20 PolarHBondContact O-N 3.1Å
17F91.7Very high84.4Confident136 Ų13699.6 Ų99.660%0.59651%0.508SS*.Hα-helixtrans-64.8-41.5176.7-173.9-115.1000111.9S13 T14 Q21S13-F17 WeakPolarHBondContact O-CB 3.39Å; S13-F17 PolarHBondContact O-N 3.2Å; T14-F17 PolarHBondContact O-N 3.06Å; F17-Q21 HydrophobicContact CZ-CG 4.49Å; F17-Q21 WeakPolarHBondContact O-CG 3.46Å; F17-Q21 PolarHBondContact O-N 2.88Å
18Y90.1Very high83Confident165 Ų16596.7 Ų96.765%0.64751%0.507SS*.Hα-helixtrans-65.7-41.8176.8-175.3-96.8000112.4T14 I15 Q21 T22T14-Y18 WeakPolarHBondContact O-CB 3.44Å; T14-Y18 PolarHBondContact O-N 3.48Å; I15-Y18 PolarHBondContact O-N 2.96Å; Y18-Q21 PolarHBondContact O-N 3.44Å; Y18-T22 WeakPolarHBondContact O-CB 3.48Å; Y18-T22 PolarHBondContact O-N 3.16Å; Y18-T22 PolarHBondContact O-OG1 3.15Å
19S87.5Confident81.5Confident55 Ų5596.5 Ų96.539%0.38550%0.504SS..Hα-helixtrans-66.9-41.2178.167.50000111.7I15 M16 T22 A23I15-S19 PolarHBondContact O-N 3Å; I15-S19 PolarHBondContact O-OG 2.97Å; M16-S19 PolarHBondContact O-N 3.3Å; M16-S19 PolarHBondContact O-OG 3.45Å; S19-T22 PolarHBondContact O-N 3.31Å; S19-A23 WeakPolarHBondContact O-CB 3.49Å; S19-A23 PolarHBondContact O-N 3.26Å
20M83.3Confident80.1Confident120 Ų12094.4 Ų94.459%0.59150%0.497SS*.Hα-helixtrans-61.9-44.8174.6-75.4-176.4172.700112.5M16 T22 A23 N24M16-M20 WeakPolarHBondContact O-CB 3.46Å; M16-M20 VanDerWaalsContact O-CG 3.3Å; M16-M20 WeakPolarHBondContact O-CG 2.84Å; M16-M20 PolarHBondContact O-N 3.1Å; M20-T22 VanDerWaalsContact C-N 3.3Å; M20-T22 PolarHBondContact O-N 2.94Å; M20-A23 PolarHBondContact O-N 3.44Å; M20-N24 WeakPolarHBondContact O-CB 3.46Å; M20-N24 VanDerWaalsContact O-CG 3.28Å; M20-N24 PolarHBondContact O-N 3.26Å; M20-N24 PolarHBondContact O-ND2 3.37Å
21Q81.4Confident78.5Confident76 Ų7691.8 Ų91.836%0.35549%0.488SS..Hα-helixtrans-61.1-41.3174.8-77.9-171.762.900112.1F17 Y18 N24 K25F17-Q21 HydrophobicContact CZ-CG 4.49Å; F17-Q21 WeakPolarHBondContact O-CG 3.46Å; F17-Q21 PolarHBondContact O-N 2.88Å; Y18-Q21 PolarHBondContact O-N 3.44Å; Q21-N24 PolarHBondContact O-N 3.39Å; Q21-K25 WeakPolarHBondContact O-CB 3.4Å; Q21-K25 VanDerWaalsContact O-CG 3.3Å; Q21-K25 WeakPolarHBondContact O-CG 3.43Å; Q21-K25 PolarHBondContact O-N 3.36Å
22T78Confident76.9Confident43 Ų4393.9 Ų93.926%0.26449%0.489SS..Hα-helixtrans-65.3-43.9178.2-55.20000110.8Y18 S19 M20 K25 I26Y18-T22 WeakPolarHBondContact O-CB 3.48Å; Y18-T22 PolarHBondContact O-N 3.16Å; Y18-T22 PolarHBondContact O-OG1 3.15Å; S19-T22 PolarHBondContact O-N 3.31Å; M20-T22 VanDerWaalsContact C-N 3.3Å; M20-T22 PolarHBondContact O-N 2.94Å; T22-K25 PolarHBondContact O-N 2.83Å; T22-I26 HydrophobicContact CG2-CD1 3.99Å; T22-I26 WeakPolarHBondContact O-CD1 3.4Å; T22-I26 WeakPolarHBondContact O-CG1 3.48Å; T22-I26 PolarHBondContact O-N 3.23Å
23A74.8Confident75.4Confident43 Ų4397.8 Ų97.836%0.35550%0.497SS..Hα-helixtrans-63.6-43.3176.500000112.3S19 M20 K25 I26 N27S19-A23 WeakPolarHBondContact O-CB 3.49Å; S19-A23 PolarHBondContact O-N 3.26Å; M20-A23 PolarHBondContact O-N 3.44Å; A23-K25 VanDerWaalsContact C-N 3.34Å; A23-K25 PolarHBondContact O-N 3.18Å; A23-I26 PolarHBondContact O-N 2.85Å; A23-N27 WeakPolarHBondContact O-CB 3.48Å; A23-N27 PolarHBondContact O-N 2.87Å
24N71.1Confident74Confident110 Ų110104.7 Ų104.759%0.58851%0.514SS*.Hα-helixtrans-64.6-38.5176.8-72.9-17000111.9M20 Q21 N27 G28M20-N24 WeakPolarHBondContact O-CB 3.46Å; M20-N24 VanDerWaalsContact O-CG 3.28Å; M20-N24 PolarHBondContact O-N 3.26Å; M20-N24 PolarHBondContact O-ND2 3.37Å; Q21-N24 PolarHBondContact O-N 3.39Å; N24-N27 PolarHBondContact O-N 3.29Å; N24-G28 PolarHBondContact O-N 2.74Å
25K64Low72.6Confident153 Ų153108.9 Ų108.967%0.66552%0.523SS*.Hα-helixtrans-65-37.6172.7-75.2177-179.6179.10112.4Q21 T22 A23Q21-K25 WeakPolarHBondContact O-CB 3.4Å; Q21-K25 VanDerWaalsContact O-CG 3.3Å; Q21-K25 WeakPolarHBondContact O-CG 3.43Å; Q21-K25 PolarHBondContact O-N 3.36Å; T22-K25 PolarHBondContact O-N 2.83Å; A23-K25 VanDerWaalsContact C-N 3.34Å; A23-K25 PolarHBondContact O-N 3.18Å
26I63.3Low71Confident77 Ų77107.5 Ų107.540%0.39552%0.52SS..Hα-helixtrans-68.1-41.6176.6-69164.8000111T22 A23 P30T22-I26 HydrophobicContact CG2-CD1 3.99Å; T22-I26 WeakPolarHBondContact O-CD1 3.4Å; T22-I26 WeakPolarHBondContact O-CG1 3.48Å; T22-I26 PolarHBondContact O-N 3.23Å; A23-I26 PolarHBondContact O-N 2.85Å; I26-P30 WeakPolarHBondContact O-CD 3.45Å
27N62.6Low69.6Low128 Ų128109.3 Ų109.368%0.68453%0.531SS*.Hα-helixtrans-74.8-33.3-178.2-73.2-13.7000113.1A23 N24A23-N27 WeakPolarHBondContact O-CB 3.48Å; A23-N27 PolarHBondContact O-N 2.87Å; N24-N27 PolarHBondContact O-N 3.29Å
28G60.7Low68Low57 Ų57106.3 Ų106.359%0.58854%0.539SS*.Hα-helixtrans-69.5-42.4-175.700000113.6N24N24-G28 PolarHBondContact O-N 2.74Å
29E61.4Low66.2Low100 Ų100103 Ų10347%0.46754%0.535SS..  trans-148.866.8-175.4-64.7-175.3153.200111.4M31 R32 R33E29-M31 PolarHBondContact O-N 3.34Å; E29-R32 HydrophobicContact CB-CB 3.85Å; E29-R32 PolarHBondContact O-N 2.89Å; E29-R32 IonicContact OE1-NH1 3.69Å; E29-R32 PolarHBondContact OE1-NH1 2.96Å; E29-R32 WeakPolarHBondContact OE2-CD 3.2Å; E29-R32 IonicContact OE2-CZ 2.87Å; E29-R32 IonicContact OE2-NE 3.68Å; E29-R32 IonicContact OE2-NH1 2.75Å; E29-R32 PolarHBondContact OE2-NH1 2.97Å; E29-R33 PolarHBondContact O-N 3.36Å
30P62.4Low64.5Low62 Ų62108 Ų10840%0.40355%0.553SS.*Hα-helixtrans-56.1-43.9179.721.7-31.4000110.2I26 R32 R33 W34I26-P30 WeakPolarHBondContact O-CD 3.45Å; P30-R32 PolarHBondContact O-N 3.17Å; P30-R33 PolarHBondContact O-N 3.46Å; P30-W34 PolarHBondContact O-N 2.88Å
31M57.8Low63Low86 Ų86105.2 Ų105.242%0.42455%0.548SS..Hα-helixtrans-65.3-36.3-176.3-61.2-174.879.300113.2E29 R33 W34 Y35 M70E29-M31 PolarHBondContact O-N 3.34Å; M31-R33 VanDerWaalsContact C-N 3.27Å; M31-R33 PolarHBondContact O-N 3.49Å; M31-W34 PolarHBondContact O-N 3.43Å; M31-Y35 WeakPolarHBondContact O-CB 3.3Å; M31-Y35 WeakPolarHBondContact O-CD2 3.3Å; M31-Y35 PolarHBondContact O-N 3.34Å; M31-M70 HydrophobicContact CE-CE 3.2Å; M31-M70 HydrophobicContact CE-CG 3.78Å; M31-M70 HydrophobicContact CE-SD 3.28Å; M31-M70 WeakPolarHBondContact CE-SD 3.31Å; M31-M70 HydrophobicContact SD-CG 4.17Å; M31-M70 HydrophobicContact SD-SD 4.28Å
32R61.2Low61.6Low140 Ų140107.2 Ų107.253%0.52857%0.568SS.*Hα-helixtrans-70.7-23.5179.7-161.1-173.8179.4172.5-0.5112.8E29 P30 Y35E29-R32 HydrophobicContact CB-CB 3.85Å; E29-R32 PolarHBondContact O-N 2.89Å; E29-R32 IonicContact OE1-NH1 3.69Å; E29-R32 PolarHBondContact OE1-NH1 2.96Å; E29-R32 WeakPolarHBondContact OE2-CD 3.2Å; E29-R32 IonicContact OE2-CZ 2.87Å; E29-R32 IonicContact OE2-NE 3.68Å; E29-R32 IonicContact OE2-NH1 2.75Å; E29-R32 PolarHBondContact OE2-NH1 2.97Å; P30-R32 PolarHBondContact O-N 3.17Å; R32-Y35 CarbonylContact O-C 3.44Å
33R60.8Low60.5Low173 Ų173115.8 Ų115.865%0.65360%0.595SS**Hα-helixtrans-81-39.3174.3-167178.3-171.3-173.91.9112.3E29 P30 M31E29-R33 PolarHBondContact O-N 3.36Å; P30-R33 PolarHBondContact O-N 3.46Å; M31-R33 VanDerWaalsContact C-N 3.27Å; M31-R33 PolarHBondContact O-N 3.49Å
34W64.3Low59.3Low206 Ų206122.7 Ų122.778%0.7862%0.618SS**Hα-helixtrans-74.4-29.3176.1-67.4108.8000112.3P30 M31P30-W34 PolarHBondContact O-N 2.88Å; M31-W34 PolarHBondContact O-N 3.43Å
35Y62.2Low58.3Low156 Ų156120.7 Ų120.761%0.61262%0.616SS**SBendtrans-13181.5179.2-55-82.4000109.5M31 R32 L37M31-Y35 WeakPolarHBondContact O-CB 3.3Å; M31-Y35 WeakPolarHBondContact O-CD2 3.3Å; M31-Y35 PolarHBondContact O-N 3.34Å; R32-Y35 CarbonylContact O-C 3.44Å; Y35-L37 PolarHBondContact O-N 3.36Å
36P61.4Low57.5Low64 Ų64119 Ų11942%0.41662%0.623SS.*  trans-55.8133.5170.4-12.222.5000108.4G38 V39P36-G38 PolarHBondContact O-N 2.85Å; P36-V39 HydrophobicContact CB-CG2 4.1Å; P36-V39 HydrophobicContact CG-CG2 3.75Å; P36-V39 PolarHBondContact O-N 3.46Å
37L62.2Low56.8Low146 Ų146124.2 Ų124.276%0.76464%0.644SS**THydrogen-bonded Turntrans-55.9-0.2-179.8-70.2162.3000114.9Y35Y35-L37 PolarHBondContact O-N 3.36Å
38G57.2Low56Low73 Ų73123.1 Ų123.175%0.75365%0.646SS**THydrogen-bonded Turntrans-1167.8175.400000115.1P36 E40P36-G38 PolarHBondContact O-N 2.85Å; G38-E40 PolarHBondContact O-N 3.47Å
39V53Low55Low94 Ų94129.6 Ų129.657%0.5766%0.661SS**SBendtrans-86.1100.1167.2-176.80000106.1P36 A41P36-V39 HydrophobicContact CB-CG2 4.1Å; P36-V39 HydrophobicContact CG-CG2 3.75Å; P36-V39 PolarHBondContact O-N 3.46Å; V39-A41 PolarHBondContact O-N 3.04Å
40E51.3Low54.4Low162 Ų162128.1 Ų128.176%0.75767%0.673SS**  trans-38.5115.4165.8-69.4-176.4164.700107.7G38 P42G38-E40 PolarHBondContact O-N 3.47Å; E40-P42 VanDerWaalsContact O-N 3.08Å
41A52.8Low53.7Low60 Ų60132.4 Ų132.450%0.49669%0.692SS.*  trans-46.9125.3179.600000107.3V39 R43V39-A41 PolarHBondContact O-N 3.04Å; A41-R43 PolarHBondContact O-N 2.94Å
42P50.9Low53.2Low118 Ų118136.7 Ų136.777%0.76672%0.717SS**  trans-53.5114.8-175.118.3-28.8000107E40 K44E40-P42 VanDerWaalsContact O-N 3.08Å; P42-K44 PolarHBondContact O-N 2.98Å; P42-K44 VanDerWaalsContact O-N 3.15Å
43R54.3Low52.6Low223 Ų223135.5 Ų135.584%0.84273%0.725SS**  trans-44.2125.6178.2-70-179.2-178.8-174.10.1106.9A41 A45A41-R43 PolarHBondContact O-N 2.94Å; R43-A45 PolarHBondContact O-N 3.43Å
44K51.6Low52Low189 Ų189131.5 Ų131.582%0.82273%0.729SS**  trans-23123.5-179.2-72.2-178.7173.4-172.90111.1P42 S46P42-K44 PolarHBondContact O-N 2.98Å; P42-K44 VanDerWaalsContact O-N 3.15Å; K44-S46 PolarHBondContact O-N 3.34Å
45A49.4Very low51.3Low67 Ų67129.3 Ų129.355%0.55473%0.727SS**  trans-52.6118167.200000107.5R43 F47R43-A45 PolarHBondContact O-N 3.43Å; A45-F47 HydrophobicContact CB-CD2 3.64Å; A45-F47 HydrophobicContact CB-CE2 3.34Å; A45-F47 HydrophobicContact CB-CZ 4.1Å; A45-F47 WeakPolarHBondContact O-CD2 3.43Å; A45-F47 PolarHBondContact O-N 3.25Å
46S47.2Very low50.9Low117 Ų117127.8 Ų127.882%0.81873%0.729SS**  trans-68.177.5174.353.50000108K44 S48K44-S46 PolarHBondContact O-N 3.34Å; S46-S48 VanDerWaalsContact C-N 3.34Å; S46-S48 PolarHBondContact O-N 2.93Å
47F47.8Very low50.5Low188 Ų188131.5 Ų131.583%0.82574%0.741SS**  trans-73.396168.2-75-75.2000107.1A45 Q49A45-F47 HydrophobicContact CB-CD2 3.64Å; A45-F47 HydrophobicContact CB-CE2 3.34Å; A45-F47 HydrophobicContact CB-CZ 4.1Å; A45-F47 WeakPolarHBondContact O-CD2 3.43Å; A45-F47 PolarHBondContact O-N 3.25Å; F47-Q49 PolarHBondContact O-N 2.8Å
48S47Very low50.2Low105 Ų105130 Ų13073%0.73473%0.728SS**  trans-63111.4162.755.40000108.3S46S46-S48 VanDerWaalsContact C-N 3.34Å; S46-S48 PolarHBondContact O-N 2.93Å
49Q39Very low50.1Low192 Ų192131.4 Ų131.490%0.89772%0.724SS**SBendtrans55.693.4134.1-161.7172.214.500115.5F47F47-Q49 PolarHBondContact O-N 2.8Å
50G48Very low50Low69 Ų69134.3 Ų134.371%0.71173%0.726SS**  trans-176.5-48.2167.800000117
51D49.3Very low50.3Low153 Ų153131.5 Ų131.582%0.81872%0.716SS**  trans-113.3121.6-165-78.4-37.4000113V53D51-V53 HydrophobicContact CB-CG2 4.4Å; D51-V53 PolarHBondContact O-N 3Å
52N45.7Very low50.3Low175 Ų175131.1 Ų131.194%0.93672%0.718SS**  trans-62.565.6173-70.5-58.4000112
53V49.8Very low50.6Low116 Ų116132.2 Ų132.270%0.70372%0.717SS**  trans-99101.6167.4-1740000105.8D51 E55D51-V53 HydrophobicContact CB-CG2 4.4Å; D51-V53 PolarHBondContact O-N 3Å; V53-E55 PolarHBondContact O-N 2.9Å
54A48Very low50.7Low88 Ų88129 Ų12973%0.72771%0.712SS**  trans-39.5110.7167.700000108.5L56A54-L56 PolarHBondContact O-N 3.4Å
55E48.8Very low51.2Low160 Ų160127 Ų12775%0.74870%0.7SS**  trans-58102.5-174.2-64.5173.5139.300107.5V53 E57V53-E55 PolarHBondContact O-N 2.9Å; E55-E57 HydrophobicContact CB-CG 3.87Å; E55-E57 PolarHBondContact O-N 3.37Å
56L54.2Low52.1Low124 Ų124128 Ų12865%0.64970%0.696SS**  trans-69.772.8158.6-121.667.2000105.5A54 F58A54-L56 PolarHBondContact O-N 3.4Å; L56-F58 HydrophobicContact CB-CD2 4.17Å; L56-F58 HydrophobicContact CB-CE2 3.91Å; L56-F58 HydrophobicContact CB-CZ 4.46Å; L56-F58 HydrophobicContact CD2-CD2 4.32Å; L56-F58 HydrophobicContact CD2-CE1 4.33Å; L56-F58 HydrophobicContact CD2-CE2 3.28Å; L56-F58 HydrophobicContact CD2-CZ 3.27Å; L56-F58 HydrophobicContact CG-CD2 4.32Å; L56-F58 HydrophobicContact CG-CE1 4.46Å; L56-F58 HydrophobicContact CG-CE2 3.69Å; L56-F58 HydrophobicContact CG-CZ 3.76Å; L56-F58 PolarHBondContact O-N 2.98Å
57E52.4Low53.3Low143 Ų143125.7 Ų125.767%0.66868%0.68SS**  trans-65.880165.4-68.6-161.4135.600107.1E55 P59E55-E57 HydrophobicContact CB-CG 3.87Å; E55-E57 PolarHBondContact O-N 3.37Å; E57-P59 WeakPolarHBondContact O-CD 3.45Å
58F56.4Low54.7Low114 Ų114122 Ų12250%0.567%0.666SS.*  trans-68.6121.2164.1-69.7-70.7000107.2L56 Y60 V69L56-F58 HydrophobicContact CB-CD2 4.17Å; L56-F58 HydrophobicContact CB-CE2 3.91Å; L56-F58 HydrophobicContact CB-CZ 4.46Å; L56-F58 HydrophobicContact CD2-CD2 4.32Å; L56-F58 HydrophobicContact CD2-CE1 4.33Å; L56-F58 HydrophobicContact CD2-CE2 3.28Å; L56-F58 HydrophobicContact CD2-CZ 3.27Å; L56-F58 HydrophobicContact CG-CD2 4.32Å; L56-F58 HydrophobicContact CG-CE1 4.46Å; L56-F58 HydrophobicContact CG-CE2 3.69Å; L56-F58 HydrophobicContact CG-CZ 3.76Å; L56-F58 PolarHBondContact O-N 2.98Å; F58-Y60 PolarHBondContact O-N 3.05Å; F58-V69 HydrophobicContact CE1-CG2 4.1Å; F58-V69 HydrophobicContact CE2-CG2 3.96Å; F58-V69 HydrophobicContact CZ-CG2 3.7Å
59P54.9Low56Low102 Ų102119.8 Ų119.866%0.66265%0.647SS**  trans-60.3114.4174.423.5-30.6000107.9E57 N61E57-P59 WeakPolarHBondContact O-CD 3.45Å; P59-N61 PolarHBondContact O-N 3.34Å
60Y52.3Low57.6Low156 Ų156112.9 Ų112.961%0.61262%0.616SS**  trans-69.785.1169.7-175-99.7000107.7F58 G62F58-Y60 PolarHBondContact O-N 3.05Å; Y60-G62 PolarHBondContact O-N 3.47Å
61N56.5Low59.1Low103 Ų103115.2 Ų115.255%0.55161%0.606SS**  trans-77.3103.4165.6-84.5-10.8000106.5P59 D63 Q64P59-N61 PolarHBondContact O-N 3.34Å; N61-D63 PolarHBondContact O-N 3.32Å; N61-Q64 PolarHBondContact O-N 2.96Å
62G52.5Low60.4Low52 Ų52116.4 Ų116.454%0.53660%0.599SS.*THydrogen-bonded Turntrans-41.9104.8-178.800000112Y60Y60-G62 PolarHBondContact O-N 3.47Å
63D58.6Low62Low140 Ų140109.8 Ų109.875%0.74957%0.569SS**THydrogen-bonded Turntrans103.1-5.4176.9-52.4-25.8000117.8N61N61-D63 PolarHBondContact O-N 3.32Å
64Q56Low63.4Low157 Ų157106.9 Ų106.973%0.73455%0.551SS**  trans-112.284.2177-71.2-173.8-13.600112.1N61 D66N61-Q64 PolarHBondContact O-N 2.96Å; Q64-D66 PolarHBondContact O-N 3.36Å
65Y61.3Low64.9Low146 Ų146111.4 Ų111.457%0.57355%0.549SS*.  trans-69.7126.4162.8-76.6-85.2000109.6S67 M70Y65-S67 PolarHBondContact O-N 3.47Å; Y65-S67 VanDerWaalsContact O-N 3.16Å; Y65-M70 HydrophobicContact CD1-CE 4.14Å
66D68.3Low66.4Low88 Ų88108.5 Ų108.547%0.47154%0.539SS..  trans-61.5118.7168.3-177-6.5000109.2Q64 E68 V69 M70Q64-D66 PolarHBondContact O-N 3.36Å; D66-E68 PolarHBondContact O-N 2.98Å; D66-E68 PolarHBondContact OD1-N 2.97Å; D66-V69 HydrophobicContact CB-CB 4.34Å; D66-V69 HydrophobicContact CB-CG2 3.95Å; D66-V69 PolarHBondContact O-N 2.85Å; D66-V69 VanDerWaalsContact O-N 3.16Å; D66-M70 PolarHBondContact O-N 3.01Å; D66-M70 VanDerWaalsContact O-N 3.12Å
67S72.9Confident67.4Low69 Ų69109 Ų10948%0.48354%0.539SS..Hα-helixtrans-58.4-29.6-178.473.50000112.6Y65 M70 K71Y65-S67 PolarHBondContact O-N 3.47Å; Y65-S67 VanDerWaalsContact O-N 3.16Å; S67-M70 PolarHBondContact O-N 3.27Å; S67-K71 WeakPolarHBondContact O-CB 3.38Å; S67-K71 VanDerWaalsContact O-CG 3.24Å; S67-K71 WeakPolarHBondContact O-CG 3.39Å; S67-K71 PolarHBondContact O-N 2.73Å
68E75.9Confident68.6Low111 Ų111112.2 Ų112.252%0.51955%0.545SS..Hα-helixtrans-72.1-40.4178.8-73.1-58.2134.300111.8D66 M70 K71 R72D66-E68 PolarHBondContact O-N 2.98Å; D66-E68 PolarHBondContact OD1-N 2.97Å; E68-M70 VanDerWaalsContact C-N 3.31Å; E68-M70 PolarHBondContact O-N 3.42Å; E68-K71 PolarHBondContact O-N 3.5Å; E68-K71 IonicContact OE1-NZ 3.29Å; E68-K71 PolarHBondContact OE1-NZ 3.36Å; E68-R72 WeakPolarHBondContact O-CB 3.49Å; E68-R72 PolarHBondContact O-N 2.98Å
69V75.2Confident69.5Low58 Ų58113.3 Ų113.335%0.35256%0.556SS.*Hα-helixtrans-62.7-42.4174.2179.50000110.1F58 D66 R72 A73F58-V69 HydrophobicContact CE1-CG2 4.1Å; F58-V69 HydrophobicContact CE2-CG2 3.96Å; F58-V69 HydrophobicContact CZ-CG2 3.7Å; D66-V69 HydrophobicContact CB-CB 4.34Å; D66-V69 HydrophobicContact CB-CG2 3.95Å; D66-V69 PolarHBondContact O-N 2.85Å; D66-V69 VanDerWaalsContact O-N 3.16Å; V69-R72 PolarHBondContact O-N 2.99Å; V69-A73 WeakPolarHBondContact O-CB 3.44Å; V69-A73 PolarHBondContact O-N 3.48Å
70M72.8Confident69.7Low46 Ų46114.4 Ų114.423%0.22759%0.585CS.*Hα-helixtrans-63.7-45.8176.6-1735455.400112.1M31 Y65 D66 S67 E68 R72 A73 V74M31-M70 HydrophobicContact CE-CE 3.2Å; M31-M70 HydrophobicContact CE-CG 3.78Å; M31-M70 HydrophobicContact CE-SD 3.28Å; M31-M70 WeakPolarHBondContact CE-SD 3.31Å; M31-M70 HydrophobicContact SD-CG 4.17Å; M31-M70 HydrophobicContact SD-SD 4.28Å; Y65-M70 HydrophobicContact CD1-CE 4.14Å; D66-M70 PolarHBondContact O-N 3.01Å; D66-M70 VanDerWaalsContact O-N 3.12Å; S67-M70 PolarHBondContact O-N 3.27Å; E68-M70 VanDerWaalsContact C-N 3.31Å; E68-M70 PolarHBondContact O-N 3.42Å; M70-R72 VanDerWaalsContact C-N 3.29Å; M70-R72 PolarHBondContact O-N 3.32Å; M70-A73 PolarHBondContact O-N 3.36Å; M70-V74 HydrophobicContact CG-CG2 4.44Å; M70-V74 WeakPolarHBondContact O-CB 3.48Å; M70-V74 VanDerWaalsContact O-CG2 3.28Å; M70-V74 WeakPolarHBondContact O-CG2 3.46Å; M70-V74 PolarHBondContact O-N 3.14Å; M70-V74 HydrophobicContact SD-CG2 4.2Å
71K78.4Confident70.6Confident118 Ų118112.4 Ų112.451%0.51358%0.584SS.*Hα-helixtrans-58.9-41.8175.1-74.6171.5-163.5168.10111.6S67 E68 V74 R75S67-K71 WeakPolarHBondContact O-CB 3.38Å; S67-K71 VanDerWaalsContact O-CG 3.24Å; S67-K71 WeakPolarHBondContact O-CG 3.39Å; S67-K71 PolarHBondContact O-N 2.73Å; E68-K71 PolarHBondContact O-N 3.5Å; E68-K71 IonicContact OE1-NZ 3.29Å; E68-K71 PolarHBondContact OE1-NZ 3.36Å; K71-V74 PolarHBondContact O-N 3.38Å; K71-R75 WeakPolarHBondContact O-CB 3.32Å; K71-R75 PolarHBondContact O-N 3.47Å
72R78Confident71.3Confident178 Ų178112.8 Ų112.867%0.67259%0.586SS**Hα-helixtrans-64.3-45.8177.1-171.8176.9-179.1-176-0.5111.4E68 V69 M70 R75 L76E68-R72 WeakPolarHBondContact O-CB 3.49Å; E68-R72 PolarHBondContact O-N 2.98Å; V69-R72 PolarHBondContact O-N 2.99Å; M70-R72 VanDerWaalsContact C-N 3.29Å; M70-R72 PolarHBondContact O-N 3.32Å; R72-R75 PolarHBondContact O-N 2.94Å; R72-L76 HydrophobicContact CG-CD1 4.38Å; R72-L76 WeakPolarHBondContact O-CG 3.33Å; R72-L76 PolarHBondContact O-N 3.48Å
73A79.2Confident72.4Confident36 Ų36116.2 Ų116.230%0.29859%0.589SS.*Hα-helixtrans-62-44.1176.400000112V69 M70 R75 L76 M77V69-A73 WeakPolarHBondContact O-CB 3.44Å; V69-A73 PolarHBondContact O-N 3.48Å; M70-A73 PolarHBondContact O-N 3.36Å; A73-R75 VanDerWaalsContact C-N 3.33Å; A73-R75 PolarHBondContact O-N 3.27Å; A73-L76 PolarHBondContact O-N 3.34Å; A73-M77 HydrophobicContact CB-CE 4.38Å; A73-M77 WeakPolarHBondContact O-CG 3.46Å; A73-M77 PolarHBondContact O-N 3.03Å
74V78.2Confident73.2Confident55 Ų55114.8 Ų114.833%0.33358%0.579SS.*Hα-helixtrans-62.3-39.5174.7171.40000111.5M70 K71 M77 R78M70-V74 HydrophobicContact CG-CG2 4.44Å; M70-V74 WeakPolarHBondContact O-CB 3.48Å; M70-V74 VanDerWaalsContact O-CG2 3.28Å; M70-V74 WeakPolarHBondContact O-CG2 3.46Å; M70-V74 PolarHBondContact O-N 3.14Å; M70-V74 HydrophobicContact SD-CG2 4.2Å; K71-V74 PolarHBondContact O-N 3.38Å; V74-M77 HydrophobicContact CG2-CE 4.35Å; V74-R78 WeakPolarHBondContact O-CG 3.28Å; V74-R78 PolarHBondContact O-N 3.39Å; V74-R78 VanDerWaalsContact O-N 3.1Å
75R80Confident74.3Confident183 Ų183112.2 Ų112.269%0.69157%0.57SS**Hα-helixtrans-64.8-43175.2-180179.3-91.4179.5-6.6111.4K71 R72 A73 R78 L79K71-R75 WeakPolarHBondContact O-CB 3.32Å; K71-R75 PolarHBondContact O-N 3.47Å; R72-R75 PolarHBondContact O-N 2.94Å; A73-R75 VanDerWaalsContact C-N 3.33Å; A73-R75 PolarHBondContact O-N 3.27Å; R75-R78 PolarHBondContact O-N 3.49Å; R75-L79 HydrophobicContact CG-CD1 4.33Å; R75-L79 WeakPolarHBondContact O-CG 3.48Å; R75-L79 PolarHBondContact O-N 3.25Å
76L80.3Confident75.1Confident100 Ų100109.9 Ų109.952%0.52457%0.569SS.*Hα-helixtrans-63.3-47176.4-71169.7000111.2R72 A73 R78 L79 G80R72-L76 HydrophobicContact CG-CD1 4.38Å; R72-L76 WeakPolarHBondContact O-CG 3.33Å; R72-L76 PolarHBondContact O-N 3.48Å; A73-L76 PolarHBondContact O-N 3.34Å; L76-R78 PolarHBondContact O-N 3.05Å; L76-R78 VanDerWaalsContact O-N 3.16Å; L76-L79 PolarHBondContact O-N 3.22Å; L76-G80 PolarHBondContact O-N 3.26Å
77M75.6Confident75.6Confident134 Ų134111.5 Ų111.566%0.6658%0.577SS**Hα-helixtrans-60.2-27.4176.1-74.4-172.7-8500113.9A73 V74A73-M77 HydrophobicContact CB-CE 4.38Å; A73-M77 WeakPolarHBondContact O-CG 3.46Å; A73-M77 PolarHBondContact O-N 3.03Å; V74-M77 HydrophobicContact CG2-CE 4.35Å
78R76.9Confident75.8Confident211 Ų211114.8 Ų114.880%0.79658%0.584SS**Hα-helixtrans-77.7-21.6174.9-76.6178.1-179.5-172.91.4113.6V74 R75 L76V74-R78 WeakPolarHBondContact O-CG 3.28Å; V74-R78 PolarHBondContact O-N 3.39Å; V74-R78 VanDerWaalsContact O-N 3.1Å; R75-R78 PolarHBondContact O-N 3.49Å; L76-R78 PolarHBondContact O-N 3.05Å; L76-R78 VanDerWaalsContact O-N 3.16Å
79L75.9Confident75.8Confident137 Ų137115.1 Ų115.172%0.71759%0.589SS**Hα-helixtrans-85.9-14.8-179.1-70.4169.3000112.8R75 L76R75-L79 HydrophobicContact CG-CD1 4.33Å; R75-L79 WeakPolarHBondContact O-CG 3.48Å; R75-L79 PolarHBondContact O-N 3.25Å; L76-L79 PolarHBondContact O-N 3.22Å
80G59.5Low75.9Confident125 Ų125120.3 Ų120.3100%1.28961%0.611SS**  trans84.50-174.100000111.7L76L76-G80 PolarHBondContact O-N 3.26Å

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