Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSYFGTDGIRGKFGQMPITPEFALKLGFAAGKVLKRTSPKNKPLVVLGKDTRLSGYILESALQAGLNAAGVYVHLLGPLPTPAIAHLTRALHAHAGIVISASHNPYFDNGIKFFSSEGKKLPDSLQEEINKELEKDLFIEDTANLGKSVRVTDANGRYIEFCKSTFPYHFDLNNLKIVVDCAHGAAYSVGPSVFRELGAKVVALYNEPDGLNINENCGSTHPESLQKAVVE---HGADLGIAFDGDADRVVMVDKFGNLIDGDHILYILATQ--AKNKPAGVVGTVMSNMALEVALEKANVGFVRAKVGDRYVLQALEENGWVTGGEPSGHILTLDKS-TTGDAIIAALQVLTVMVEQNKALHELVHDFKLYPQVLVNVRLEQMLDPYSIPALVAEFNKAEEQLKG-------------RGRILIRKSGTEPVIRVMVEGDNEQEVKTLAEHLANAVRSQAQVA 1P5D Chain:X ((12-454)) -SIFRAYDIRGVVGDT-LTAETAYWIGRAIGS---ESLARGEPCVAVGRDGRLSGPELVKQLIQGLVDCGCQVSDVGMVPTPVLYYAANVLEGKSGVMLTGSHNPPDYNGFKIVVA-GETLANEQIQALRERIEKN----DLASGVGSVEQVDILPRYFKQIRDDIAMA---KPMKVVVDCGNGVAGVIAPQLIEALGCSVIPLYCEVDGNFPNHHPDPGKPENLKDLIAKVKAENADLGLAFDGDGDRVGVVTNTGTIIYPDRLLMLFAKDVVSRNPGADIIFDVKCTRRLIALISGYGGRPVMWKTGHSLIKKKMKETGALLAGEMSGHVFFKERWFGFDDGIYSAARLLEILSQDQR---DSEHVFSAFPSDISTPEINITVTEDSKFAIIEALQRDAQWGEGNITTLDGVRVDYPKGWGLVRASNTTPVLVLRFEADTEEELERIKTVFRNQLKA-----

General information: TITO was launched using: RESULT: Template: 1P5D.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 : 2737 -74133 -27.09 -174.84 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain X : 0.74 3D Compatibility (PKB) : -27.09 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.500

(partial model without unconserved sides chains): PDB file : Tito_1P5D.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1P5D-query.scw PDB file : Tito_Scwrl_1P5D.pdb: