Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MILTKVEGPNAAGNKVYVFGVNDYRLEVPERYNVQHFVGRGAYGFVCSAVDAVTNEPVAIKKVTHLFDDAVDAKRVLREVKLLAYLKHPNILSLKDLFKSPDPVDTYSELYVVTDLMESDMDAILRSPRIRLAAGHGQYFTLQLLCALQYIHSAHVLHRDLKPGNLLTDSECNLKLGDFGLARGIGHDDTMTQYVFTRWYRPPELLLVCKHCNYSADMWAVGCLAAEMFTGKPLFPGKDYINQINLIVELLGIP--DLARDLPPSTSTEAIHYLSSLPPSKGKKLEEYAPELRRRFDETTFYDSFDTELEEAIAAEGATIARPQPRPPEEYYAEFVDFIFGLLRYNPEKRRTAKESIAHAWLSDVRGPQETIGGCEAERIYRWDADGTAFTIPQLRHLFIDEIGKFASTRGS 5LAR Chain:A ((14-267)) --------------------LNKTIWEVPERYQNLSPVGSGAYGSVCAAFDTKTGHRVAVKKLSRPFQSIIHAKRTYRELRLLKHMKHENVIGLLDVFTPARSLEEFNDVYLVTHLMGADLNNIVKCQ--KLTDDHVQFLIYQILRGLKYIHSADIIHRDLKPSNLAVNEDCELKILDFGLARHT--DDEMTGYVATRWYRAPEIMLNWMHYNQTVDIWSVGCIMAELLTGRTLFPGTDHIDQLKLILRLVGTPGAELLKKISSESARNYIQSLAQMP--------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5LAR.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 : 1074 -124213 -115.65 -492.91 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -115.65 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.374

(partial model without unconserved sides chains): PDB file : Tito_5LAR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5LAR-query.scw PDB file : Tito_Scwrl_5LAR.pdb: