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

General information: TITO was launched using: RESULT: Template: 3AUA.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 : 2055 -48684 -23.69 -133.38 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -23.69 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.477

(partial model without unconserved sides chains): PDB file : Tito_3AUA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3AUA-query.scw PDB file : Tito_Scwrl_3AUA.pdb: