Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKLLAAGIIGLLTVSIASPSFAAEKQADTNVAVLFDGSGSMVQKTGGERKIDIAKKSVKSFAELLP---KDTNLMLRVFGHAGNNKLSGKALSCSTTETIYGLH---PYEGSLFDNSLSELK----PTGWTPIAKALADTRKEFEAFD--ADGKNVVYLITDGEETCGGDPAAEIEKLRASNVDTIVNIIGFNFDVKGNEEMKQAAVA----GGGEYISANSADEFEQAWEKEAQKFTE 4HQO Chain:A ((16-207)) --------------------------NEQVDLYLLVDGSGSIGYP----NWITKVIPMLNGLINSLSLSRDTINLYMNLFGSYT--------------TELIRLGSGQSIDKRQALSKVTELRKTYTPYGTTSMTAALDEVQKHLNDRVNREKAIQLVILMTDGVPNSKYRALEVANKLKQRN--VRLAVIGIGQG-INHQFNRLIAGCRPREPNCKFYSYADWNEAVALIKPFIAKVC-

General information: TITO was launched using: RESULT: Template: 4HQO.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 : 913 16607 18.19 94.36 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 18.19 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.584

(partial model without unconserved sides chains): PDB file : Tito_4HQO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4HQO-query.scw PDB file : Tito_Scwrl_4HQO.pdb: