Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKDTIIALHAEHQGRWKNREEIAERMIALIGQLYREKNIVVSVYGRSLINRSVIQILKTHRRTRVVDVELSVVNTFPILEALAKVENIGSAEVDIGKLAVEYKEKGGDVDAFVAQAVESIKGSATSEQPKDVVLYGFGRIGRILARLIISQSGLGRGLSLKAIVVRKSSDGDLAKRASLLRRDSIHGTFAGT-ISVDEENEAIIANGNFIKVIYASSPSEVDYTQYGIENALLIDNTGKWRDAEGLSQHLKCPGVARVVLTAPSKGEMKNVVFGVNNSDILDEDKIISAASCTTNAITPILKVLDDKYKVLNGHVETVHSFTNDQNLIDNYHKADRRGRAATLNMVITETGAAKAVAKALPALKGKLTGNSVRVPTPNVSLAILNLTLDKEVDREEVNEYIRQISINSNLQGQIGYTNSTEVVSSDFIGSRTAGVYDAQATITSG-NRLTAYVWYDNEVGYSCQVLRIAEQMCGVSYKKIPAETNA 4BOY Chain:B ((17-353)) --------------------------------------------------------------------------------------------------------------------------------SMVRVAINGFGRIGRNFMRCWLQRKA-NSKLEIVGINDT----SDPRTNAHLLKYDSMLGIFQDAEITAD--DDCIYAGGHAVKCVSDRNPENLPWSAWGID--LVIEATGVFTSREGASKHLS-AGAKKVLITAPGKGNIPTYVVGVNHHTYDPSEDIVSNASCTTNCLAPIVKVLHEAFGIQQGMMTTTHSYTGDQRLLDASHRDLRRARAAAMNIVPTSTGAAKAVGLVIPELQGKLNGIALRVPTPNVSVVDFVAQVEKPTIAEQVNQVIKEAS-ETTMKGIIHYSE-LELVSSDYRGHNASSILDASLTMVLGGNLVKVVAWYDNEWGYSQRVLDLAEHMAAHW----------

General information: TITO was launched using: RESULT: Template: 4BOY.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 : 2007 -40858 -20.36 -121.96 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.73 3D Compatibility (PKB) : -20.36 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.543

(partial model without unconserved sides chains): PDB file : Tito_4BOY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BOY-query.scw PDB file : Tito_Scwrl_4BOY.pdb: