Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNPKYKPLFEPFTFKSGVTINNRIAVAPMTHYASNEDGTISEAELDYIIPRSKEMGMVITACANVTPDGKAFPGQPAIHDDSNIPGLKKLAQAIQAQGAKAVVQIHH-GGIECPSELVPQQDVVGPSDVFDNGK----------QIARALTEEEVENIVKAFGEATRRAIEAGFDGVEIHGANGYLIQQFYSPKTNQRTDRWGGSDEKRLAFPLAIVDEVKKAASEHAKGAFLVGYRLSPEEPETPGLTMTETYTLVDALGDKELDYLHISLMDVNSKARRGADPTRTRMDLLNERVGNKVPLIAVGSIHSADDALAVIENGIPLVAMGREILVDPNWTVKVKEGREKQIETVIKGTDKEKYHLPEPLWQAIVNTQGWVPYKD 4AB4 Chain:B ((4-228)) -------LFDPIKLGD-LQLPNRIIMAPLTRCRADEGRVPNALMAEYYVQRAS-AGLILSEATSVSPMGVGYPDTPGIWNDEQVRGWNNVTKAVHAAGGRIFLQLWHVGRISHPSYLNGELPVA-PSAIQPKGHVSLVRPLSDYPTPRALETEEINDIVEAYRSGAENAKAAGFDGVEIHGANGYLLDQFLQSSTNQRTDRYGGSLENRARLLLEVTD-----AAIEVWGAQRVGVHLAP-----------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4AB4.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1157 -36227 -31.31 -169.28 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain B : 0.68 3D Compatibility (PKB) : -31.31 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.557

(partial model without unconserved sides chains): PDB file : Tito_4AB4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4AB4-query.scw PDB file : Tito_Scwrl_4AB4.pdb: