Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSQILKTSLLIVGGGPGGYVAAIRAGQLGIPTVLVEG-AALGGTCLNVGCIPSKALIHAAEEYLKARHYASRSALGIQVQAPSIDIARTVEWKDAIVDRLTSGVAALLKKHGVDVVQGWARILDGKSVAVELAGGGSQRIECEHLLLAAGSQSVELPILPLGGKVI-SSTEALAPGSLPKRLVVVGGGYIGLELGTAYRKLGVEVAVVEAQPRILPGYDEELTKPVAQAL-RRLGVELYLGHSLLGPSENG----VRVRDGAGEEREIAADQVLVAVGRKPRSEGWNLESLGLDMNGRA-VKVDDQCRTSMRNVWAIGDLAGE-PMLAHRAMAQGEMVAELIAGKRRQFAPVAIPAVCFTDPEVVVAGLSPEQAKDAGLDCLVASFPFAANGRAMTLEANEGFVRVVARRDNHLVVGWQAVGKAVSELSTAFAQSLEMGARLEDIAGTIHAHPTLGEAVQEAALRALGHALHI |
| 2QAE Chain:A ((17-468)) | --------------------ASIKAAQLGMKTACVEKRGALGGTCLNVGCIPSKALLHATHLYHDAHANFARYGL-MGGEGVTMDSAKMQQQKERAVKGLTGGVEYLFKKNKVTYYKGEGSFETAHSIRVNGLDGKQEMLETKKTIIATGSEPTELPFLPFDEKVVLSSTGALALPRVPKTMVVIGGGVIGLELGSVWARLGAEVTVVEFAPRCAPTLDEDVTNALVGALAKNEKMKFMTSTKVVGGTNNGDSVSLEVEGK---RETVTCEALLVSVGRRPFTGGLGLDKINVAKNERGFVKIGDHFETSIPDVYAIGDVVDKGPMLAHKAEDEGVACAEILAGKPGHVNYGVIPAVIYTMPEVASVGKSEDELKKEGVAYKVGKFPFNANSRAKAVSTEDGFVKVLVDKATDRILGVHIVCTTAGELIGEACLAMEYGASSEDVGRTCHAHPTMSEALKEACMALFAKTINF |
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General information:
TITO was launched using:
| RESULT:
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Template: 2QAE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -282374 for 3682 contacts (-76.7/contact) +
2D Compatibility (PS) -48246 + (NN) -13127 + (LL) 704
1D Compatibility (HY) -34400 + (ID) 8600
Total energy: -386043.0 ( -104.85 by residue)
QMean score : 0.529
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