Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNKFMAWVDARFPATKMWEDHLSKYYAPKNFNFWYFFGSLALLVLVNQILTGIWLTMSFTPSAEEAFASVEYIMRDVDYGWIIRYMHSTGASAFFIVVYLHMFRGLLYGSYQKPRELVWIFGMLIYLALMAEAFMGYLLPWGQMSYWGAQVIISLFGAIPVVGEDLAQWIRGDFLISGITLNRFFALHVIALPIVLLGLVVLHILALHEVGSNNPDGVDIKKKKDENGVPLDGIAFHPYYTVKDIVGVVVFLFIFCTVIFFFPEMGGYFLEKPNFEMANQFKTPEHIAPVWYFTPFYAILRA------------------VPDKLMGVVAMGAAIAVLFVLPWLDRSPVRSIRYKGWLSKLWLVIFAVSFVILGYYGAQAPSPLGTTLSRVCTVLYFAFF-ILMPFYTRMEKTKPVPERVTG |
2QJK Chain:G ((16-422)) | ------WLHSRLPIVALAYDTI-MIPTPRNLNWMWIWGVVLAFCLVLQIVTGIVLAMHYTPHVDLAFASVEHIMRNVNGGFMLRYLHANGASLFFIAVYLHIFRGLYYGSYKAPREVTWIVGMLIYLAMMATAFMGYVLPWGQMSFWGATVITGLFGAIPGIGHSIQTWLLGGPAVDNATLNRFFSLHYL-LPFVIAALVAIHIWAFHSTGNNNPTGVEVRRTSKAEAQK-DTVPFWPYFIIKDVFALAVVLLVFFAIVGFMPN---YLGHPDNYIEANPLRTPAHIVPEWYFLPFYAILRAFTADVWVVQIANFISFGIIDAKFFGVLAMFGAILVMALVPWLDTSPVRSGRYRP-MFKIYFWLLAADFVILTWVGAQQTTFPYDWISLIASAYWFAYFLVILPILGAIEKPVAPPATI-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2QJK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -331091 for 2954 contacts (-112.1/contact) +
2D Compatibility (PS) -39748 + (NN) -22221 + (LL) 868
1D Compatibility (HY) -55600 + (ID) 9050
Total energy: -456842.0 ( -154.65 by residue)
QMean score : 0.452
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