Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MILTKVEGPNAAGNKVYVFGVNDYRLEVPERYNVQHFVGRGAYGFVCSAVDAVTNEPVAIKKVTHLFDDAVDAKRVLREVKLLAYLKHPNILSLKDLFKSPDPVDTYSELYVVTDLMESDMDAILRSPRIRLAAGHGQYFTLQLLCALQYIHSAHVLHRDLKPGNLLTDSECNLKLGDFGLARGIGHDDTMTQYVFTRWYRPPELLLVCKHCNYSADMWAVGCLAAEMFTGKPLFPGKDYINQINLIVELLGIPDLARDLPPSTSTEAIHYLSSLPPSKGKKLEEYAPELRRRFDETTFYDSFDTELEEAIAAEGATIARPQPRPPEEYYAEFVDFIFGLLRYNPEKRRTAKESIAHAWLSDVRGPQETIGGCEAERIYRWDADGTAFTIPQLRHLFIDEIGKFASTRGS 3OHT Chain:A ((42-345)) --------------------LNKTIWEVPERYQTLSPVGSGAYGSVCSSYDVKSGLKIAVKKLSRPFQSIIHAKRTYRELRLLKHMKHENVIGLLDVFTPATSLEEFNDVYLVTHLMGADLNNIVKCQ--KLTDDHVQFLIYQILRGLKYIHSADIIHRDLKPSNLAVNEDCELKILDFG-------------------YRAPEIMLNWMHYNMTVDIWSVGCIMAELLTGRTLFPGTDHINQLQQIMRLTGTPP-ASVISRMPSHEARNYINSLP----------------QMPKRNFADVF-------IGANPLA----------------VDLLEKMLVLDTDKRITASEALAHPYFSQYHDPDD------------------------------------------

General information: TITO was launched using: RESULT: Template: 3OHT.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1169 -154369 -132.05 -537.87 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -132.05 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.398

(partial model without unconserved sides chains): PDB file : Tito_3OHT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3OHT-query.scw PDB file : Tito_Scwrl_3OHT.pdb: