Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVNEKRLLEEFLELVQIDSETKHEAEICKVLKRKFSDLGVDVKEDDTMDITGHGAGNLICTLKGTKQTDTIYFTSHMDTVVPGN--GV--KPV---VENGYVKTDGTTILGADDKAGLAAMFEAIKVLKEENI-EHGTIEFIITVGEESGL-IGAKALDRS--M--ITASYGYALDSDGK---VGNIIVAAPTQAKVRAAIFGKTAHAGVEPEKGISAITIASKAISKMPLGR------IDEETTANIGRFEGGT-QTNIVCDEVHILAEARSLVPEKMEAQVQKMKAAFEEAAADMGGRAEVEIEVMYPGFKYQDGDQVVEIAKKAAAK-IGRPSELQTSGGGSDANVIAGHGIPTVNLAVGYEQIHTKNEKMPIEELVKTAEMVVAIIEEAAK 4PQA Chain:A ((2-376)) --TETQSLELAKELISRPSVTPDDRDCQKLLAERLHKIGFAAEELHF-----GDTKNIWLRR-GT-KAPVVCFAGHTDVVPTGPVEKWDSPPFEPAERDGRLYGRGA----ADMKTSIACFVTACERFVAKHPNHQGSIALLITSDEEGDALDGTTKVVDVLKARDELIDYCIVGEPTAVDKLGDMIKNGRRGSLSGNLTVKGKQGHIA-YPHLAINPVHTFAPALLELTQEVWDEGNEYFPPTSFQISNINGGTGATNVIPGELNVKFNFRFSTESTEAGLKQRVHAILDKH----GVQYDLQWSCSGQPFLT-QAGKLTDVARAAIAETCGIEAELSTTGGTSDGRFIKAIAQELIELGPSNATIHQINENVRLNDIPKLSAVYEGILARLL-

General information: TITO was launched using: RESULT: Template: 4PQA.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 : 1895 46082 24.32 131.29 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : 24.32 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.431

(partial model without unconserved sides chains): PDB file : Tito_4PQA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PQA-query.scw PDB file : Tito_Scwrl_4PQA.pdb: