Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNPKYKPLFEPFTFKSGVTINNRIAVAPMTHYASNEDGTISEAELDYIIPRSKEMGMVITACANVTPDGKAFPGQPAIHDDSNIPGLKKLAQAIQAQGAKAVVQIHH-GGIECPSELVPQQDVVGPSDVFDNGK----------QIARALTEEEVENIVKAFGEATRRAIEAGFDGVEIHGANGYLIQQFYSPKTNQRTDRWGGSDEKRLAFPLAIVDEVKKAASEHAKGAFLVGYRLSPEEPETPGLTMTETYTLVDALGDKELDYLHISLMDVNSKARRGADPTRTRMDLLNERVGNKVPLIAVGSIHSADDALAVIENGIPLVAMGREILVDPNWTVKVKEGREKQIETVIKGTDKEKYHLPEPLWQAIVNTQGWVPYKD 4AEO Chain:A ((4-228)) -------LFDPIKLGD-LQLPNRIIMAPLTRCRADEGRVPNALMAEYYVQRAS-AGLILSEATSVSPMGVGYPDTPGIWNDEQVRGWNNVTKAVHAAGGRIFLQLWHVGRISHPSYLNGELPVA-PSAIQPKGHVSLVRPLSDYPTPRALETEEINDIVEAYRSGAENAKAAGFDGVEIHGANGYLLDQFLQSSTNQRTDRYGGSLENRARLLLEVTD-----AAIEVWGAQRVGVHLAP-----------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4AEO.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 : 1149 -36478 -31.75 -170.46 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -31.75 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.588

(partial model without unconserved sides chains): PDB file : Tito_4AEO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4AEO-query.scw PDB file : Tito_Scwrl_4AEO.pdb: