Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSPRAVVQLGKAQPAGEELATANQTAQQPSSPAMRRLTVDDFEIGRPLGKGKFGNVYLARLKESHFIVALKVLFKSQIEKEGLEHQLRREIEIQAHLQHPNILRLYNYFHDARRVYLILEYAPRGELYKELQKSEKLDEQRTATIIEELADALTYCHDKKVIHRDIKPENLLLGFRGEVKIADFGWS-VHTPSLR--RKTMCGTLDYLPPEMIEGRTYDEKVDLWCIGVLCYELLVGYPPFESASHSETYRRILKVDVRFPLSMPLGARDLISRLLRYQPLERLPLAQILKHPWVQAHSRRVLPPCAQMAS 4RQV Chain:A ((32-291)) ----------------------------------------EDFKFGKILGEGSFSTVVLARELATSREYAIKILEKRHIIKENKVPYVTRERDVMSRLDHPFFVKLYFTFQDDEKLYFGLSYAKNGELLKYIRKIGSFDETCTRFYTAEIVSALEYLHGKGIIHRDLKPENILLNEDMHIQITDFGTAKVLSPESKQARANFVGTAQYVSPELLTEKSACKSSDLWALGCIIYQLVAGLPPFRAGNEGLIFAKIIKLEYDFPEKFFPKARDLVEKLLVLDATKRLGCEEMEGYGPLKAH-------------

General information: TITO was launched using: RESULT: Template: 4RQV.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 : 1278 -112802 -88.26 -440.63 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -88.26 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.354

(partial model without unconserved sides chains): PDB file : Tito_4RQV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4rqv-query.scw PDB file : Tito_Scwrl_4RQV.pdb: