Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------MKRARIIYNPTSGREIFKKHLAQ-VLQKFEQAGYETSTHATTCAGDATHAAKEAALREFDLIIAAGGDGTINEVVNGLAPLDNRPT-----LGVIPVGTTNDFARALGI--------PREDILKAADTVINGVARPIDIGQVN---GQYFINIAGGGRLTELTYDVPSKLKTMLGQLAYYLKGMEMLPSLRPTEVEIEYD--------------------------GKLFQGEIMLFLVTLTNSVGGFEKLAPDSSLNDGMFDLMILK-KANLAEFIRVATMALRGEHIND--QHIIYTKANRVKVN-VSEKMQLNLDGEYGGMLPGEFVNLYRHIHVVMPKEKAEQLDD 3VZD Chain:A ((3-361)) MGSGVLPRPCRVLVLLNPRGGKGKALQLFRSHVQPLLAEAEISFTLMLTERRNHARELVRSEELGRWDALVVMSGDGLMHEVVNGLMERPDWETAIQKPLCSLPAGSGNALAASLNHYAGYEQVTNEDLLTNCTLLLCRRLLSPMNLLSLHTASGLRLFSVLSLAWGFIADVDLESEKYRRLGEMRFTLGTFLRLAALRTYRGRLAYLPVGRVGSQGPVDAHLVPLEEPVPSHWTVVPDEDFVLVLALLHSHLGSEMFAAPMGRCAAGVMHLFYVRAGVSRAMLLRLFLAMEKGRHMEYECPYLVYVPVVAFRLEPKDGKGVFAVDGELMVSEA---------VQGQVHPNYFWMVSG

General information: TITO was launched using: RESULT: Template: 3VZD.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 : 1686 -233953 -138.76 -795.76 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -138.76 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.427

(partial model without unconserved sides chains): PDB file : Tito_3VZD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VZD-query.scw PDB file : Tito_Scwrl_3VZD.pdb: