Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGSMDQSIAVKSPLTYAEALANTIMNTYTVEELPPANRWHYHQGVFLCGVLRLWEATGEKRYFEYAKAYADLLIDDNGNLLFRRDELDAIQAGLILFPLYEQTKDERYVKAAKRLRSLYGTLNRTSEGGFWHKD-------GYPYQMWLDGLYMGGPFALKYANLKQETELFDQVVLQESLMRKHTKDAKTGLFYHAWDEA--KKMPWANEETGCSPEFWARSIGWYVMSLADMIEELPKKHPNRHVWKNTLQDMIKSICRYQDKETGLWYQIVDKGDRSDNWLESSGSCLYMYAIAKGINKGYLDRAYETTLLKAYQGLIQHKTETSEDGAFLVKDICVGTS-AGFYDYYVSRERSTNDLHGAGAFILAMTELEPLFRSAGK 4CE7 Chain:A ((28-369)) -----------YIKTSMIKALEWQEAHPI----FAIHPTDWTNGAYYTGVARAHHTTKNMMYMAALKNQAVANNWQPYT---RLYHADDVAISYSYLYVAENEKR-RNFSDLEPTKKFLDTHLY--EDNAWKAGTNRSKEDKTILWWWCDALFMAPPVINLYAKQSEQPEYLDEMHKYYMETYNRLYDKEEKLFARDSRFVWDGDDE-DKKEPNGEKVFWSRGNGWVIGGLALLLEDMPEDYKHRDFYVNLYKEMASRILEIQP-EDGLWRTSLLSPES-YDHGEVSGSAFHTFALAWGINKGLIDKKYTPAVKKAWKAMANC-QH--DDGRVGWVQNI---PEPASKD--------SYQNFGTGAFLLAGSEILKM------

General information: TITO was launched using: RESULT: Template: 4CE7.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 : 1808 -11970 -6.62 -36.38 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -6.62 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.460

(partial model without unconserved sides chains): PDB file : Tito_4CE7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4CE7-query.scw PDB file : Tito_Scwrl_4CE7.pdb: