Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNRIFFILVAAGVPLSVIGSLM-HWPSAVLFAVYCVTIIALASYMGRATESLSIIAGPRIGGLLNATFGNAVELIISLFALKE-G-----LTGIVLASLTGSVLGNLLLVAGLSFFVGGLKYKRQEFNIHD-ARHNSGLLIFAIIV-AFVIPEVFSVGMGNASKLNLSIGISIIMILLYVAALYFKLVTHRGVYQPNNAAQT-EEEEEPEWSGKVATIVLFAATIVVAYISENLVHTFHSVAEQFGWSELFIGVIIVAIVGNAAEHASAIIMAFKNKMDIAVEIAVGSTLQIAMFVAPVLVICSIFFPT-SMPLVFTL---PELVAMVSAVLLMIAISNDGDSNWFEGATLLAAYVIMAIGFFLL 4KPP Chain:A ((10-356)) ----LLAISSLTLPWLISLAFNYHHPALTQTLLSGLAVVSASFLISWAAETAEMDVPRSFSLAIVALLAVLPEYAVDGYFAWKAGSVGGEYVHYATANMTGANRLLIGIGWSLVAFIAFRTLKSKEVELDDGIRLEIFFLFLA-TLYAFTLP--L--------KGHISPFDALVFVSLYAIYIYLSTKAEREEVEVGGVPAYLCSLKTETRRLSV-VVLFLFAGFTILMSVEAFSEGLLETARIAGIDEFLAVQWIAPLASESPELIVAIYFVRRFRVSASMNALISSKVNQWTLLIGTIAIIYSISAFKLQSLPLDARQSEEVLLTAAQSLFAVAILLDLKISWKEASALFLLFIVQLLFPG--

General information: TITO was launched using: RESULT: Template: 4KPP.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 : 1653 -256626 -155.25 -770.65 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -155.25 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.327

(partial model without unconserved sides chains): PDB file : Tito_4KPP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4KPP-query.scw PDB file : Tito_Scwrl_4KPP.pdb: