Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRIAISGGGTGGHIYPALAFIKEVQRRHPNVEFLYIGTENGLEKKIVERENIPFRSIEITGFKRK--------------LSFENVKTVM-----RFLKGVKKSKSYLAEFKPDAVIGTGGYVCGPVVYAAAKMGIPTIVHEQNSLPG---ITN---KFLSKY-----------VNKVAICFEEA-KSHFPS--EKVVFTGNPRASEVVSIKTGRSLAEFGL-SEDKKTVLIFGGSRGA--APINRAVIDMQDVLKT-RDYQVLYITGEVHYEKVMNELKSKGAADNMVTKPFLHQMPEYLKAIDVIVARAGATTIAEITALGIPSVLIPSPYVTANHQEVNARSLGQHDAAIVLKET----ELSGEKLIEALDRIVLNEQTLKEMSERTKSLGVPDAAARLYSVLEELKK 3TSA Chain:A ((2-386)) MRVLVVPLPYPTHLMAMVPLCWALQ-AS-GHEVLIAAPPEL-QATAHGA-GLTTA--GI------LRFPNPAFGQRDTEAGRQLWEQTASNVAQSSLDQLPEYLRLAEAWRPSVLLVDVCAL--IGRVLGGLLDLPVVLHRWGVDPTAGPFSDRAHELLDPVCRHHGLTGLPTPELILDPCPPSLQASDAPQGAPVQYVPYNGSG-AFP--------AWGAARTSARRVCICMGRMVLNATGP-APLLRAVAAATELPGV-EAVIAVPPEHRALL-----TDLPDNARIAESV-PLNLFLRTCELVICAGGSGTAFTATRLGIPQLVLPQY----FDQFDYARNLAAAGAGICLPDEQAQSDHE--QFTDSIATVLGDTGFAAAAIKLSDEITAMPHPAALVRTLENT--

General information: TITO was launched using: RESULT: Template: 3TSA.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 : 1869 -248679 -133.05 -767.53 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -133.05 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.466

(partial model without unconserved sides chains): PDB file : Tito_3TSA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TSA-query.scw PDB file : Tito_Scwrl_3TSA.pdb: