Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MNGKQVMVGGLSLLLVGAGLGAFGSTAQAATDDASVMPDISNKQVLVGYWHSWKSSGKDGYQQGTSADIALKDTPKAYNVVDVSFMKGDGVNRIPTFKPVGINDSDFRAQVGALNKEGRAVLLALGGADGHVELKA-GDEEAFANEIIRQVETYGFDGLDIDLEQSAITA-------GDNKTVIPAALKIVKDHYKAEGKNFLITMAPEFPYLKPG--------SAYESYLTSLANYYDYIAPQLYNQGGDGVWVDETNQWIAQNNDTLKESFLYYMADSFINGT------RGY-LKIPANKFVFGLPANVDAA-ATGYVTDPQIVKNVFTRLQA--------------KGTPVKGIMTWSVNWDAGKNKAGVPYNNSFSNAYGPIVGTK |
| 3N12 Chain:A ((3-333)) | ---------------------------------------NLGSKLLVGYWHNFDNGT---------GIIKLKDVSPKWDVINVSFGETGGDRSTVEFSPVYGTDADFKSDISYLKSKGKKVVLSIGGQNGVVLLPDNAAKDRFINSIQSLIDKYGFDGIDIDLESGIYLNGNDTNFKNPTTPQIVNLISAIRTISDHYGPDFLLSMAPETAYVQGGYSAYGSIWGAYLPIIYGVKDKLTYIHVQHYNAGSGIGMDGN----NYN---QGTADYEVAMADMLLHGFPVGGNANNIFPALRSDQVMIGLPAAPAAAPSGGYISPT-EMKKALNYIIKGVPFGGKYKLSNQSGYPAFRGLMSWSINWDAKNNF---EFSNNYRTYFDGLSLQK |
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General information:
TITO was launched using:
| RESULT:
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Template: 3N12.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -125696 for 2496 contacts (-50.4/contact) +
2D Compatibility (PS) -30734 + (NN) -5473 + (LL) 2236
1D Compatibility (HY) -21600 + (ID) 4250
Total energy: -185517.0 ( -74.33 by residue)
QMean score : 0.564
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