Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKQCVAMLLAGGKGSRLSGLTKNMAKPAVSFGGKYRIIDFTLSNCSNSGIDTVGILTQYQPL-ELNSYIGIGSAWDLD-RYNGGVTVLPPYAESSEVKWYKGTASSIYENLNYLNQYDPEYVLILSGDHI-YKMDYGKMLDYHIEKKADVTISVIEVGWEEASRFGIMKANPDGTITHFDEKPKFPKSNLASMGIYIFNWPLLKQYLEMDDQNPYSSHDFG-KDIIPLLLEEKKKLSAYPFKGY-WKDVGTVQSLWEANMDLLKEDSELKLFERKWKIYSVNPNQPPQFISSDAQVQDSLVNEGCVVYGNVSHSVLFQGVTVGKHTTVTSSVIMPDVTIGEHVVIENAIVPNGMVLPDGAVIRSEKDIEEVLLVSEEFVEKELI 3PKQ Chain:A ((6-237)) ------GIILAGGSGTRLYPVTMAVSKQLLPIYDK-PMIYYPLSTLMLAGIRDILIISTPQDTPRFQQLLGDGSQWGLNLQYK-----VDPSPD--------GLAQAFIIGEEFIGHDDCALVL---GDNIFYGHDLPKLMEAAVNKESGATVFAYHV--NDPERYGVVEFD---TAVSLEEKPLQPKSNYAVTGLYFYDNSVVEM---AKNLKPSARGELEITDINRIYMEQGRLSVAMMGRGYAWLDTGTHQSLIEAS-----------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3PKQ.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 : 1216 -29694 -24.42 -132.56 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -24.42 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.362

(partial model without unconserved sides chains): PDB file : Tito_3PKQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PKQ-query.scw PDB file : Tito_Scwrl_3PKQ.pdb: