Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLLWLFEQLAGYHSSFQVVRYLTLRSLLSVLTSLTIGLVLGPIMIRKLQALKYGQAVSSFAPENHAKKMGTPTMGGILILLSIGISTLLWADLSNPYVWIVLGVMVVFGAVGWADDWIKIRYKDNAGLPARKKFFWTSVASLGAGIALYLIATQQSNAEYTANMLDLLIPFFKNLSIPLSIVPLGLAFIVFTYLVINGASNAVNLTDGLDGLAIMPVVMVATGLGVFAYLSGDIRFANYLHIPYVKYTSELVVICSAMIGAGLAFLWYNAHPAQVFMGDVGALALGAMLGTIAVMVRQEIVFAIMGGVFVMEAVSVFLQIGSLRMRN-KRVFLMAPLHHHYEKQGWKETQVVIRFWIITIMLVVLGLMTLKLR 4J72 Chain:A ((20-363)) -------------FAFNVLKYITFRSFTAVLIAFFLTLVLSPSFINRL-------------------KKYTPTMGGIVILIVVTLSTLLLMRWDIKYTWVVLLSFLSFGTIGFWDDYVKLK--NKKGISIKTKFLLQVLSASLISVLIYYWADIDT---------ILYFPFFKEL-----YVDLGVLYLPFAVFVIVGSANAVNLTDGLDGLAIGPAMTTATALGVVAYAVGHSKIAQYLNIPYVPYAGELTVFCFALVGAGLGFLWFNSFPAQMFMGDVGSLSIGASLATVALLTKSEFIFAVAAGVFVFETISVILQIIYFRWTGGKRLFKRAPFHHHLELNGLPEPKIVVRMWIISILLAIIAISMLK--

General information: TITO was launched using: RESULT: Template: 4J72.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 : 1725 -305071 -176.85 -947.43 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.84 3D Compatibility (PKB) : -176.85 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.341

(partial model without unconserved sides chains): PDB file : Tito_4J72.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4J72-query.scw PDB file : Tito_Scwrl_4J72.pdb: