Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKQIHPLILFSFFGIMMFILIINRPLNDSQSFKTKSNIAQIEAQALKHLDKPIIDLSGWQRPEEINYDALSQNISGAIVRVHSGTQTTKENDASFINGIDKAYKSHITELQKRNVPVAVYAYVAGKSVQEMEKAAEVFYNAASPYSPSYYWLDVEDKTMSNMNEGVENFRAKLASLGAKNIGIYVGVYFMEEHSIDTGKFTSVWIPSYGSDSGFLESSPKTDLDYDIHQYTSKGKIAGFDHDLDINVISPLKNKEETFRKLFLKP 3HMC Chain:A ((3-183)) -------------------------------------------------HMGHIIDISKWNG--DINWSIAKQHIDFIIARVQDGSNY-----------VDPLYKGYVQAMKQHGIPFGNYAFCRFVSIADAKKEAQDFWNRGDK-SATVWVADVEVKTMNDMRAGTQAFIDELYRLGAKKVGLYVGHHMYTPFGMANVKSDFVWIPRYGGNKPA--------YPCDIWQYTETGNVPGI-GKCDLNSLIGNK-------------

General information: TITO was launched using: RESULT: Template: 3HMC.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 : 991 -108765 -109.75 -600.91 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -109.75 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.491

(partial model without unconserved sides chains): PDB file : Tito_3HMC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3HMC-query.scw PDB file : Tito_Scwrl_3HMC.pdb: