Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSFFKKLKEKITKQTDSVSEKFKDGLEKTRNSFQNKVNDLVSRY-RKVDEDFFEELEEVLISADVGFTTVMELIDELKKEVKRRNIQDPKEVQSVISEKLVEIYNSGDEQISELNIQDGRLNVILLVGVNGVGKTTTIGKLAHKMKQEGKSVVLAAGDTFRAGAIEQLEVWGERTGVPVIKQTAG-SDPAAVIYDAVHAAKARNADVLICDTAGRLQNKVNLMKELEKVKRVIEREVPEAPHEVLLALDATTGQNAMAQAKEFSKATNVTGIALTKLDGTAKGGIVLAIRNELHIPVKLVGLGEKVDDLQEFDPESYVYGLFSDLVEKADD 3B9Q Chain:A ((2-302)) --------------------KVFSGFSKTRENLAV-IDELLLFWNLAETDRVLDELEEALLVSDFGPKITVRIVERLREDIMSGKLKSGSEIKDALKESVLEMLAK--S-KTELQLGFRKPAVIMIVGVNGGGKTTSLGKLAHRLKNEGTKVLMAAGDTFRAAASDQLEIWAERTGCEIVVAE--KAKAATVLSKAVKRGKEEGYDVVLCDTSGRLHTNYSLMEELIACKKAVGKIVSGAPNEILLVLDGNTGLNMLPQAREFNEVVGITGLILTKLDGSARGGCVVSVVEELGIPVKFIGVGEAVEDLQPFDPEAFVNAIFS--------

General information: TITO was launched using: RESULT: Template: 3B9Q.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 : 1649 -207147 -125.62 -702.19 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -125.62 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.636

(partial model without unconserved sides chains): PDB file : Tito_3B9Q.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3B9Q-query.scw PDB file : Tito_Scwrl_3B9Q.pdb: