Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKILSYLKKFYLFLLIGAIMQANESMGAKLPKTDERVIYLAGGCFWGLEAYMERIYGVIDASSGYANGKTSSTNYEKLHESDHAESVKVIYDPKKISLDKLLRYYFKVIDPVSVNKQGNDVGRQYRTGIYYVNSADKEVIDNALKALQKEVKGKIAIEVEPLKNYVRAEEYHQDYLKKHPGGYCHIDLKKADEVIVDDDKYTKPSDEVLKKKLTKLQYEVTQNKHTEKPFENEYYNKEEEGIYVDITTGEPLFSSADKYDSGCGWPSFSKPINKDVVKYEDDESLNRKRIEVLSRIGKAHLGHVFNDGPKELGGLRYCINSAALRFIPLKDMEKEGYGEFIPYIKKGELKKYIQDKKSH |
3E0M Chain:B ((5-313)) | -------------------------------------IYLAGGCFWGLEEYFSRISGVLETSVGYANGQVETTNYQLLKETDHAETVQVIYDEKEVSLREILLYYFRVIDPLSINQQGNDRGRQYRTGIYYQDEADLPAIYTVVQEQERMLGRKIAVEVEQLRHYILAEDYHQDYLRKNPSGYCHIDVTDADKPLIDAANYEKPSQEVLKASLSEESYRVTQEAATEAPFTNAYDQTFEEGIYVDITTGEPLFFAKDKFASGCGWPSFSRPLSKELIHYYKDLSHGMERIEVRSRSGSAHLGHVFTDGPRELGGLRYCINSASLRFVAKDEMEKAGYGYLLPYLNK------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3E0M.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -101757 for 2451 contacts (-41.5/contact) +
2D Compatibility (PS) -33193 + (NN) -19359 + (LL) 4188
1D Compatibility (HY) -32400 + (ID) 9250
Total energy: -191771.0 ( -78.24 by residue)
QMean score : 0.489
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