Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTQSVCILGVTGSIGQSTLKILGQHPDKYSVFAVSA---HSRISELVEICKQFRPKVVVVPEQKI-AELKTLFAQQNISAIDVLAGQEGLVDIASHTDVDIVMAAIVGAAGLLPTLAAVKAGKRVLLANKEALVMSGEIMMQAARDHQ-ALLLPVDSEHNAIFQSLPHNYLQADRTGQPQL----GVSKILLTASGGPFLNHSLEQLVHVTPQKACKHPNWSMGQKISVDSATLMNKGLELIEACHLFSISEHFVTVVVHPQSIIHSMVQYVDGSTLAQMGNPDMCTPIAHALAWPERLQTNVPALDLFEYSQLNFQAPDTQKFPALNLARQAMRAGGLAPTILNAANEIAVEAFLMERIGFTSIPQVVEHTLEKLENTAAESIECILDKDKVARSVAQQYIKYWRLK 3WQR Chain:A ((79-452)) ---NVAIFGSTGSIGTNALNIIRECNKIENVFNVKALYVNKSVNELYEQAREFLPEYLCIHDKSVYEELKELVKNIKDYKPIILCGDEGMKEICSSNSIDKIVIGIDSFQGLYSTMYAIMNNKIVALANKESIVSAGFFLKKLLNIHKNAKIIPVDSEHSAIFQCLDNNKVLKTKCLQDNFSKINNINKIFLCSSGGPFQNLTMDELKNVTSENALKHPKWKMGKKITIDSATMMNKGLEVIETHFLFDVDYNDIEVIVHKECIIHSCVEFIDKSVISQMYYPDMQIPILYSLTWPDRIKTNLKPLDLAQVSTLTFHKPSLEHFPCIKLAYQAGIKGNFYPTVLNASNEIANNLFLNNKIKYFDISSIISQVLESFN-------------------------------

General information: TITO was launched using: RESULT: Template: 3WQR.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 : 2063 -50744 -24.60 -139.02 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -24.60 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.500

(partial model without unconserved sides chains): PDB file : Tito_3WQR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WQR-query.scw PDB file : Tito_Scwrl_3WQR.pdb: