Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MWKRMTAKAEGLYIADTKSFVTKQMDKLDFDYGGIPGDLHFGLTKKAGAREPMFSRGTEIFNRRQISIVSIEECNEIALKMGVPRILPEWLGANVAVSGMPDLTSLKEGSRIIFPSGAALLCEGENDPCIQPGEVIQSYYPDQPKLASAFVRHALGIRGIVCIVERPGAVYTGDEIEVHSYQRKVKRKAERV 4NDF Chain:A ((89-177)) ----------GYHAIPSMSHVHLHVISQDFDSPCLKNKKHWN------------SFNTEYFLESQAVIEMVQEAGRVTVRDGMPELLKLPLRCHECQQLLPSIPQLKEHLR---------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4NDF.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 : 253 -16458 -65.05 -184.92 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -65.05 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.018

(partial model without unconserved sides chains): PDB file : Tito_4NDF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NDF-query.scw PDB file : Tito_Scwrl_4NDF.pdb: