Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKNQYPDLAKQVVFITGAASGIGAAQARAFLEQDAFVFGLDQKFGKMEEISLRFPETFAYALGDVRQMKELQQAVSKCQNHFGEVTILLNTAGILDAYKPLMETDESLWDLIYETNVKSMYQLTKIILPDMIRQKSGTIINMASIAGLIAG-GGGIAYTSAKHAIVGFTKQLALDYAGQGIRVKGIAPGAIQTPMNAADFEGKGEMAEWVAN---ETPVKRWAQPEEVAELTLFLASPQASYIQGTIIPIDGGWLLK 2AG5 Chain:C ((4-245)) -------LDGKVIILTAAAQGIGQAAALAFAREGAKVIATDINESKLQELE-KYPGIQTRVL-DVTKKKQIDQFA----NEVERLDVLFNVAGFVH-HGTVLDCEEKDWDFSMNLNVRSMYLMIKAFLPKMLAQKSGNIINMSSVASSVKGVVNRCVYSTTKAAVIGLTKSVAADFIQQGIRCNCVCPGTVDTPSLQERIQARGNPEEARNDFLKRQKTGRFATAEEIAMLCVYLASDESAYVTGNPVIIDGGWSL-

General information: TITO was launched using: RESULT: Template: 2AG5.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1293 -99081 -76.63 -416.30 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain C : 0.81 3D Compatibility (PKB) : -76.63 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.523

(partial model without unconserved sides chains): PDB file : Tito_2AG5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2AG5-query.scw PDB file : Tito_Scwrl_2AG5.pdb: