Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTVEQNEFLSSVQLQILAEQAIKQYPNEYQGSVKLLCQSENATFLVTTAQAKYALRIHRPNYHHLQDIESELAWLDALNQSGIEVPLAIADQDGQRVITLKLAEGISRYAVLFNWVNGS-MPTTDVDPTAFQQLGQITAALHQHSKSWKRPEQFNRIVWNHDTMVGAQGHWGNWKHAPHLDQADHAVVEEAIARISTELCQYGAGEDRYGLIHADLRLTNLLLQDQ-QIGVIDFDDCGMSWFMHDLAAAISFNEHLDAAPQWVEHWLTGYEKTGHVQNHDYVMIPTFIMQRRIQMMAWNGSHAHTEMALSLGDQWSNETVRLCKKYLNGEMPVGRSNA 4R78 Chain:A ((41-280)) -------------------------------SVEQLGGMTNQNYLAKTTNKQYIVKFFGKGTEKLINRQDEKYNLELLKDLGLDVKNYLFDI--------------EAGIKVNEYIESAITLDSTSIKTKFDKIAPILQTIHTSAKELRGEFA-PFE--EIK-------KYESLIEE-QIPYANYESVRNAVFSLEKRL---ADLGVDRKSCHIDLVPENFIESPQGRLYLIDWEYSSMNDPMWDLAALFLESE---FTSQEEETFLSHYESDQTPVSH--EKIAIYKILQDTIWSLWTVYKEE----------------------------------

General information: TITO was launched using: RESULT: Template: 4R78.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 : 1083 -18292 -16.89 -76.86 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -16.89 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.252

(partial model without unconserved sides chains): PDB file : Tito_4R78.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4r78-query.scw PDB file : Tito_Scwrl_4R78.pdb: