Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAFILSIGTSLPAYNVNQEKAAEFARYMFQHSFKDIDRLLSSFKNGQIHSRQFVKPIEWYKEGHSFEEKNQIYIEETLKHSRAAVRECLSHPEFFQEAIPYEKVEAVFFVSSTGLSTPSIEARLMNELPFSPYTKRIPIWGLGCAGGASGLARAAEYCKAYPEAFVLVISAELCSLTFQPEDKTKSNLIGTSLFGDGIAAALLCGEKADRRVSKLKLAPKIMDAQSVLMKQSEDVMGWDFTDQGFKVIFSRDIPTLVEKWLKTNVQIFLDKHKLSFHDISVFLAHPGGKKVIDAYIKSLGLSSEKLSSAQSILQKHGNMSSATILYVIKDHLQNGHKKEAERGLIGALGPGFSSELLLFSWEKGA 4JAQ Chain:D ((2-352)) -SVIAGVFGALPPHRYSQSEITDSFVEFP-GLKEHEEIIRRLHAAAKVNGRHLVLPLQQYPSLTDFGDANEIFIEKAVDLGVEALLGALDDAN-----LRPSDIDMIATATVTGVAVPSLDARIAGRLGLRPDVRRMPLFGLGCVAGAAGVARLRDYLRGAPDDVAVLVSVELCSLTYPAVKPTVSSLVGTALFGDGAAAVVAVGDRRAEQ--VRAGGPDILDSRSSLYPDSLHIMGWDVGSHGLRLRLSPDLTNLIERYLANDVTTFLDAHRLTKDDIGAWVSHPGGPKVIDAVATSLALPPEALELTWRSLGEIGNLSSASILHILRDTIEK-RPPSGSAGLMLAMGPGFCTELVLLRW----

General information: TITO was launched using: RESULT: Template: 4JAQ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 2223 -256717 -115.48 -731.39 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain D : 0.80 3D Compatibility (PKB) : -115.48 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.507

(partial model without unconserved sides chains): PDB file : Tito_4JAQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4JAQ-query.scw PDB file : Tito_Scwrl_4JAQ.pdb: