Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLLWLFEQLAGYHSSFQVVRYLTLRSLLSVLTSLTIGLVLGPIMIRKLQALK--YGQAVSSFAPENHAKKMGTPTMGGILILLSIGISTLLWADLSNPYVWIVLGVMVVFGAVGWADDWIKIRYKDNAGLPARKKFFWTSVASLGAGIALYLIATQQSNAEYTANMLDLL-IPFFKNLSIPLSIVPLGLAFIVFTYLVINGASNAVNLTDGLDGLAIMPVVMVATGLGVFAYLSGDIRFANYLHIPYVKYTSELVVICSAMIGAGLAFLWYNAHPAQVFMGDVGALALGAMLGTIAVMVRQEIVFAIMGGVFVMEAVSVFLQIGSLRMR-NKRVFLMAPLHHHYEKQGWKETQVVIRFWIITIMLVVLGLMTLKLR 5CKR Chain:A ((26-365)) -------------------KYITFRSFTAVLIAFFLTLVLSPSFINRLRKIQRLFGG-----------VKKYTPTMGGIVILIVVTLSTLLLMRWDIKYTWVVLLSFLSFGTIGFWDDYVKL--KNKKGISIKTKFLLQVLSASLISVLIY----------YWADIDTILYFPFFKELY-----VDLGVLYLPFAVFVIVGSANAVNLTDGLDGLAIGPAMTTATALGVVAYAVGHSKIAQYLNIPYVPYAGELTVFCFALVGAGLGFLWFNSFPAQMFMGDVGSLSIGASLATVALLTKSEFIFAVAAGVFVFETISVILQIIYFRWTGGKRLFKRAPFHHHLELNGLPEPKIVVRMWIISILLAIIAISMLKLR

General information: TITO was launched using: RESULT: Template: 5CKR.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 : 1756 -287123 -163.51 -883.46 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -163.51 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.445

(partial model without unconserved sides chains): PDB file : Tito_5CKR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5CKR-query.scw PDB file : Tito_Scwrl_5CKR.pdb: