Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----MKAWIRQLLYKI------KQSSGAVFLCFVLKNLKFVFVSFRKI-RYTVCKRFQRSPVMAKTFFI-----PNKQSILGEQEILNAKSILA-----LLDGLESHSYDVV-YLRQPLNRLEYIECAIVGQSQFLFKVSYADGQKAYRVDLPDLLTKTDWQI----IKSFLDALLAYTGTDIEGLDGFDFEAYFQASIQAYLADPVARFTICQGIFNPIFFSRENLKS-----------FLEADGLAQFEARV---RAVQETDAYFARVSFYQDGEGKVHGVYHLAQGVK-----TVLPREPFVPAAYIEQLVDKEVQWEIDLVQITGDGSKPEDYEAIARLDYAKFLEVLPPSFYHQLDANQIEIQPILGQDFKTLAQEK--------------------------------------------------------------------------------------------------- 3NBX Chain:X ((5-499)) HPHLLAERISRLSSSLEKGLYERSHAIRLCLLAALSGESVFLLGPPGIAKSLIARRLKFAFQNARAFEYLMTRFSTPEEVFGPLSERLTSGYLPEAEIVFLDEIWKAGPAILNTLLTAINERQFRNGAHVEKIPMRLLVAASNELPEADSSLEALYDRMLIRLWLDKVQDKANFRSMLTSQQDENDNPVPDALQVTDEEYERWQKEIGEITLPDHVFELIFMLRQQLDKLPDAPYVSDRRWKKAIRLLQASAFFSGRSAVAPVDLILLKDCLWYDAQSLNLIQQQIDVLMTGHAWQQQGMLTRLGAIVQRHLQLQQQQSDKTALTVIRLGGIFSRRQQYQLPVNVTASTLTLLLQKPLKLHDMEVVHISFERSALEQWLSKGGEIRGKLNGIGFAQKLNLEVDSAQHLVVRDVSLQGSTLALPGSLPGEIKQQLEELESDWRKQHALFSEQQKCLFIPGDWLGRIEASLQDVGAQIRQAQQ

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 : 1398 -21763 -15.57 -64.58 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain X : 0.62 3D Compatibility (PKB) : -15.57 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.186

(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: