Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKILSYLKKFYLFLLIGAIMQANESMGAKLPKTDERVIYLAGGCFWGLEAYMERIYGVIDASSGYANGKTSSTNYEKLHESDHAESVKVIYDPKKISLDKLLRYYFKVIDPVSVNKQGNDVGRQYRTGIYYVNSADKEVIDNALKALQKEVKGKIAIEVEPLKNYVRAEEYHQDYLKKHPGGYCHIDLKKADEVIVDDDKYTKPSDEV-LKKKLTKLQYEVTQNKHTEKPFENEYYNKEEEGIYVDITTGEPLFSSADKYDSGCGWPSFSKPINKDVVKYEDDESLNRKRIEVLSRIGKAHLGHVFNDGPKELGGLRYCINSAALRFIPLKDMEKEGYGEFIPYIKKGELKKYIQDKKSH |
3CEZ Chain:B ((31-157)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------YPYPKDDAELRRRLTPMQYEVTQHAATEPPFTGEYTDTEDAGIYHCVVCGTALFESGAKYHSGCGWPSYFKPIDGEVIDEKMDYTHGMTRVEVRCNQCGAHLGHVFEDGPRDKTGLRYCINSAALNFEAK------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3CEZ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -21248 for 956 contacts (-22.2/contact) +
2D Compatibility (PS) -13586 + (NN) -10001 + (LL) 15384
1D Compatibility (HY) -9200 + (ID) 3250
Total energy: -41901.0 ( -43.83 by residue)
QMean score : 0.536
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