Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSYFGTDGIRGKFGQMPITPEFALKLGFAAGKVLKRTSPKNKPLVVLGKDTRLSGYILESALQAGLNAAGVYVHLLGPLPTPAIAHLTRALHAHAGIVISASHNPYFDNGIKFFSSEGKKLPDSLQEEINKELEKDLFIEDTANLGKSVRVTDANGRYIEFCKSTFPYHFDLNNLKIVVDCAHGAAYSVGPSVFRELGAKVVALYNEPDGLNINENCGSTHPESLQKAVVE---HGADLGIAFDGDADRVVMVDKFGNLIDGDHILYILATQ--AKNKPAGVVGTVMSNMALEVALEKANVGFVRAKVGDRYVLQALEENGWVTGGEPSGHILTLDKS-TTGDAIIAALQVLTVMVEQNKALHELVHDFKLYPQVLVNVRLEQMLDPYSIPALVAEFNKAEEQLKG-------------RGRILIRKSGTEPVIRVMVEGDNEQEVKTLAEHLANAVRSQAQVA 3BKQ Chain:X ((12-454)) -SIFRAYDIRGVVGDT-LTAETAYWIGRAIGS---ESLARGEPCVAVGRDGRLSGPELVKQLIQGLVDCGCQVSDVGMVPTPVLYYAANVLEGKSGVMLTGSHNPPDYNGFKIVVA-GETLANEQIQALRERIEKN----DLASGVGSVEQVDILPRYFKQIRDDIAMA---KPMKVVVDCGNGVAGVIAPQLIEALGCSVIPLYCEVDGNFPNHHPDPGKPENLKDLIAKVKAENADLGLAFDGDGDRVGVVTNTGTIIYPDRLLMLFAKDVVSRNPGADIIFDVKCTRRLIALISGYGGRPVMWKTGHSLIKKKMKETGALLAGEMSGHVFFKERWFGFDDGIYSAARLLEILSQDQR---DSEHVFSAFGSDISTPEINITVTEDSKFAIIEALQRDAQWGEGNITTLDGVRVDYPKGWGLVRASNTTPVLVLRFEADTEEELERIKTVFRNQLKA-----

General information: TITO was launched using: RESULT: Template: 3BKQ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain X - contact count / total energy / energy per contact / energy per residue : 2693 -74210 -27.56 -175.02 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain X : 0.74 3D Compatibility (PKB) : -27.56 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.509

(partial model without unconserved sides chains): PDB file : Tito_3BKQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BKQ-query.scw PDB file : Tito_Scwrl_3BKQ.pdb: