Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLLWLFEQLAGYHSSFQVVRYLTLRSLLSVLTSLTIGLVLGPIMIRKLQALKYGQAVSSFAPENHAKKMGTPTMGGILILLSIGISTLLWADLSNPYVWIVLGVMVVFGAVGWADDWIKIRYKDNAGLPARKKFFWTSVASLGAGIALYLIATQQSNAEYTANMLDLLIPFFKNLSIPLSIVPLGLAFIVFTYLVINGASNAVNLTDGLDGLAIMPVVMVATGLGVFAYLSGDIRFANYLHIPYVKYTSELVVICSAMIGAGLAFLWYNAHPAQVFMGDVGALALGAMLGTIAVMVRQEIVFAIMGGVFVMEAVSVFLQIGSLRMR---NKRVFLMAPLHHHYEKQGWKETQVVIRFWIITIMLVVLGLMTLKLR 2KKZ Chain:A ((197-217)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TLQRFAWGSSNENGRPPLTLE--------------------------------------

General information: TITO was launched using: RESULT: Template: 2KKZ.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 : 6 -624 -104.00 -34.67 target 2D structure prediction score : 0.17 Monomeric hydrophicity matching model chain A : 0.37 3D Compatibility (PKB) : -104.00 2D Compatibility (Sec. Struct. Predict.) : 0.17 1D Compatibility (Hydrophobicity) : 0.37 QMean score : 0.348

(partial model without unconserved sides chains): PDB file : Tito_2KKZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2KKZ-query.scw PDB file : Tito_Scwrl_2KKZ.pdb: