Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFKGPDMQAIILDTETHTLNG------L--PIEIAYAPIEINAGKLTLDKSKLFDQLYQVGTPISYAAMAVHHILESDLENQPHYKTF----KLPDTTTYIIGHNIDYDIAAIARCGV----DVS----HIKPICTLALTRKTWPDAEAHNISALIYMISQGSSKARELLKGAHRADADIILTANILMHIVYHLNIHDIEELYRVSEEARIPTTINFGKHKGTAIAELPKDYIQWLLRQDELDVYLRKALESAF 2GUI Chain:A ((8-183)) -----ITRQIVLDTETTGMNQIGAHYEGHKIIEIGAVEVVNRR-----LTGNNFHVYLKPDRLVDPEAFGVHGIADEFLLDKPTFAEVADEFMDYIRGAELVIHNAAFDIGFMDYEFSLLKRDIPKTNTFCKVTDSLAVARKMFPG-KRNSLDALCARYEIDNS-----KRTLHGALLDAQILAEVYLAMTG--------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2GUI.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 : 663 -11444 -17.26 -73.36 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -17.26 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.315

(partial model without unconserved sides chains): PDB file : Tito_2GUI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2GUI-query.scw PDB file : Tito_Scwrl_2GUI.pdb: