Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSGSTITPWVVGNWKMNPMRANANQLIEEFKQLLQQNQIADENCHVGVAPVSIALTTVQAQLQDAARTVYTVAQDVSRVAGTGAYTGEVSAELLKDSQINFVLVGHSERRDIFGDNVEILKAKLQNALNAGMTVIYCVGESLEQREQGQAEQVVLQQICDIAPVVTAEQWQNQVVIAYEPIWAIGTGKTASPQDAQAMHAKIREGLCQLT-PAGSNIAILYGGSVKAENAVELAACPDINGALVGGASLNAASFYQIVQAFAQSK 1TRE Chain:A ((3-255)) ----MRHPLVMGNWKLNGSRHMVHELVSNLRKELA----GVAGCAVAIAPPEMYIDMAKREAE--GSHIMLGAQNVN-LNLSGAFTGETSAAMLKDIGAQYIIIGHSERRTYHKESDELIAKKFAVLKEQGLTPVLCIGETEAENEAGKTEEVCARQIDAVLKTQGAAAFE-GAVIAYEPVWAIGTGKSATPAQAQAVHKFIRDHIAKVDANIAEQVIIQYGGSVNASNAAELFAQPDIDGALVGGASLKADAFAVIVKAAEAAK

General information: TITO was launched using: RESULT: Template: 1TRE.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 : 1401 -139011 -99.22 -551.63 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -99.22 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.564

(partial model without unconserved sides chains): PDB file : Tito_1TRE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1TRE-query.scw PDB file : Tito_Scwrl_1TRE.pdb: