Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMILQVNQLSKSFGADTILNNIKLEVRNRDRIAIVGRNGAGKSTLLKIIAGQLSYEKGEIIKPKDITMGYLAQHTGLDSKLTIKEELLTVFDHLKAMEKEMRAMEEK-----MAAADPGELESIMKTYD---RLQQEFKDKGGYQYEADVRSVLHGLGFSHFDDSTQVQSLSGGQKTRLALGKLLLTQPDLLILDEPTNHLDIDTLTWLEHYLQGYS---GAILIVSHDRYFLDKVVNQVYEVSRAESKKYHGNYSAYLDQKAAQYEKDLKMYEKQQDEIAKLQDFVDRNLARASTTKRAQSRRKQLERMDVMSKPLGDEKSANFHFDITKQSGNEVLRVQDLTISYENQPPLLTEVSFMLTRGESAALVGPNGIGKSTLLKTLIDTLKPDQGTISYGSNVSVGYYDQEQAELTSSKRVLDELWDEYPGLPEKEIRTCLGNFLFSGDDVLKP----------VHSLSGGEKARLALAKLMLQKANFLILDEPTNHLDLDSKEVLENALIDYP----GTLLFVSHDRYFINRIATRVLELSSSHIEEYLGDYDYYTEKKTEQLELEKMNQQEETDKTPATVKSDSKRSYEEEKEWKKKERQRLRRIEEIETTVQTIEENISRNDELLCDPEVYQDHEKVQAIHADNEKLNQELESLLSEWEELSTEED 1YQT Chain:A ((50-472)) -------------------------------VGIVGPNGTGKSTAVKILAGQLI---PNLCGDNDSWDGVIRAFRG--------NELQNYFEKLK--NGEIRPVVKPQYVDLIPKAVKGKVIELLKKADETGKLEEVVK-------ALELENVLE----------REIQHLSGGELQRVAIAAALLRNATFYFFDEPSSYLDIRQRLNAARAIRRLSEEGKSVLVVEHDLAVLD-YLSDIIHVVYGEP----GVYGIFSQPKGTRNGINEFLRGYLKDENVRFRPY------EIKFTKTGE--RVEIERETLVTYP-----------RLVKDYGSFRLEVEPGEIK----------------KGEVIGIVGPNGIGKTTFVKMLAGVEEPTEGKIEW--DLTVAY--KPQYIKADYEGTVYELLSK--------IDASKLNSNFYKTELLKPLGIIDLYDREVNELSGGELQRVAIAATLLRDADIYLLDEPSAYLDVEQRLAVSRAIRHLMEKNEKTALVVEHDVLMIDYVSDRL-----------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1YQT.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 : 1987 -156921 -78.97 -394.27 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -78.97 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.399

(partial model without unconserved sides chains): PDB file : Tito_1YQT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1YQT-query.scw PDB file : Tito_Scwrl_1YQT.pdb: