Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNITDIREQFPILHQQVNGHDLVYLDSAATSQKPRAVIETLDKYYNQYNSNVHRGVHTLGTRATDGYEGAREKVRKFINAKSMAEIIFTKGTTTSLNMVALSYARANLKPGDEVVITYMEHHANIIPWQQAVKATGATLKYIPLQEDGTISLEDVRETVTSNTKIVAVSHVSNVLGTVNPIKEMAKIAHDNGAVIVVDGAQSTPHMKIDVQDLDCDFFALSSHKMCGPTGVGVLYGKKALLENMEPAEFGGEMIDFVGLYESTWKELPWKFEAGTPIIAGAIGLGAAIDFLEEIGLDEISRHEHKLAAYALERFRQLDGVTVYGPE-----ERAGLVTFNLDDVHPHDVATVLDAE-GIAVRAGHHCAQPLMKWLDVTATARASFYLYNTEEEIDKLVEALQKTKEYFTNVF 4Q76 Chain:A ((23-427)) -----VRKDFRILHQEVNGSKLVYLDSAATSQKPAAVLDALQNYYEFYNSNVHRGIHYLSAKATDEFELARKKVARFINASDSREIVFTRNATEAINLVAYSWGLSNLKPGDEVILTVAEHHSCIVPWQIVSQKTGAVLKFVTLNEDEVPDINKLRELISPKTKLVAVHHVSNVLASSLPIEEIVVWAHDVGAKVLVDACQSVPHMVVDVQKLNADFLVASSHKMCGPTGIGFLYGKSDLLHSMPPFLGGGEMISDVFLDHSTYAEPPSRFEAGTPAIGEAIALGAAVDYLSGIGMPKIHEYEVEIGKYLYEKLSSLPDVRIYGPRPSESVHRGALCSFNVEGLHPTDLATFLDQQHGVAIRSGHHSAQPLHRYLGVNASARASLYFYNTKDDVDAFIVALADTVSFFNS--

General information: TITO was launched using: RESULT: Template: 4Q76.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 : 2343 -201604 -86.05 -505.27 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.87 3D Compatibility (PKB) : -86.05 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.580

(partial model without unconserved sides chains): PDB file : Tito_4Q76.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4Q76-query.scw PDB file : Tito_Scwrl_4Q76.pdb: