Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIKAALFDLDGVLVDTARYHYEAWLVLANQLSIPFTEKE-NEQLKGISRTESLERLLSFGKMEQKFSEKEKSAFAEQKNNLYLQAIQKMDETSVLPGAIAVLEYLKKTNIKIGLGSASKNARLILEKTNLTSYFDVLIDGTQVSKAKPDPEVFLKGAQQLNVPPNACLVIEDSEAGCQAALAGNMHVLGIGENINLPSAEYVIPDLTVFDQVRSFWHLSEAVSRI 4C4R Chain:A ((3-207)) ---KAVLFDLDGVITDTAEYHFRAWKALAEEIGINGVDRQFNEQLKGVSREDSLQKILDLA--DKKVSAEEFKELAKRKNDNYVKMIQDVSPADVYPGILQLLKDLRSNKIKIALASASKNGPFLLERMNLTGYFDAIADPAEVAASKPAPDIFIAAAHAVGVAPSESIGLEDSQAGIQAIKDSGALPIGVGRPEDLGDDIVIVPDTSHY----------------

General information: TITO was launched using: RESULT: Template: 4C4R.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 : 1086 2876 2.65 14.10 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : 2.65 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.573

(partial model without unconserved sides chains): PDB file : Tito_4C4R.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4C4R-query.scw PDB file : Tito_Scwrl_4C4R.pdb: