Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAYQEDLHPLLGKAVEHINRVMVGKRDIAILSLAALLAKGHVLLEDVPGVGKTMMVRALAKSIGA--DFKRIQFTPDLLPSDVTGVSIYNAKTMEF-EYRPGPI-MGNIVLADEINRTSPKTQSALLEAMEEGSVTVDGHTMQLADPFFVMATQNPVEYEGTYPLPEAQLDRFLFKLRMGYPSFNE-ELDVLSLQEKSH-PIETLEPVIAKEDFIFLQREVQNVRADDSIKEYIVEIVQKTRQHPSVQLGVSPRGSIALMKAAQAYALLHHRDYVIPDDIQYLAPFTLPHRMMLHPEAKFEGIQAEAIVREIMSAVKVPVQRSAVR 3NBX Chain:X ((5-289)) --HPHLLAERISRLSSSLEKGLYERSHAIRLCLLAALSGESVFLLGPPGIAKSLIARRLKFAFQNARAFEYL-MTRFSTPEEVFGPLS--------ERLTSGYLPEAEIVFLDEIWKAGPAILNTLLTAINERQFRNGAHVEKIPMR-LLVAASNELPE-AD-SSLEALYDRMLIRLWLDKVQDKANFRSMLTSQQDENDNPVPDALQVTDEEYERWQKEIGEITLPDHVFELIFMLRQQLDKL-PDAPYVSDRRWKKAIRLLQASAFFSGRSAVAPVDLILLKDC----------------------------------------

General information: TITO was launched using: RESULT: Template: 3NBX.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain X - contact count / total energy / energy per contact / energy per residue : 1177 -150603 -127.95 -568.31 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain X : 0.67 3D Compatibility (PKB) : -127.95 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.540

(partial model without unconserved sides chains): PDB file : Tito_3NBX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NBX-query.scw PDB file : Tito_Scwrl_3NBX.pdb: