Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSGSTITPWVVGNWKMNPMRANANQLIEEFKQLLQQNQIADENCHVGVAPVSIALTTVQAQLQDAARTVYTVAQDVSRVAGTGAYTGEVSAELLKDSQINFVLVGHSERRDIFGDNVEILKAKLQNALNAGMTVIYCVGESLEQREQGQAEQVVLQQICDIAPVVTAEQWQNQVVIAYEPIWAIGTGKTASPQDAQAMHAKIR---EGLCQLTPAGSNIAILYGGSVKAENAVELAACPDINGALVGGASLNAASFYQIVQAFAQSK 4YXG Chain:A ((6-246)) --------FVAANWKCNGTLESIKSLTNSFNNL----DFDPSKLDVVVFPVSVHYDHTRKLLQSKFSTG---IQNVSKF-GNGSYTGEVSAEIAKDLNIEYVIIGHYERRKYFHETDEDVREKLQASLKNNLKAVVCFGESLEQREQNKTIEVITKQVKAFVDLI--DNFDN-VILVYEPLW--------TPEQAQLVHKEIRKIVKDTCGEKQA-NQIRILYGGSVNTENCSSLIQQEDIDGFLVGNASL-KESFVDIIKS-----

General information: TITO was launched using: RESULT: Template: 4YXG.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 : 1184 -102533 -86.60 -445.79 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -86.60 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.557

(partial model without unconserved sides chains): PDB file : Tito_4YXG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YXG-query.scw PDB file : Tito_Scwrl_4YXG.pdb: