Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MISKKSKDKEELKMTAIYNSVTELIGKTPIVKLNKIVPED--SADVFVKLEFFNPGGSVKDRIALSMIEKAEHDGLLKPGDTI-IEPTSGNTGIGLSMVGVAKGYKVIIVMPETMSIERRLLMKGYGAELILTPGADGISGSIREAERLAKE--NGYFLPLQFENEANPLVHEKTTGPEIHQAFGVNGLDAFVAGIGTGGTITGAGRELKRVYPKSRINRGRTSRICYFRRERSGTSQNPRNRYRFCS 4LMB Chain:A ((10-172)) ----------------IARDITQLVGRTPLVQLNRIPVAEGVKARIVVKLESMNPAASVKDRIGVSMVEDAEAAGLIHPDKTILVEPTSGNTGIALAMVAAAKGYRLVLTMPETMSLERRAMLKAYGAQLELTPGSQGMEGAITRAEEIVENTPNAYSL-QQFRNPANPKIHRETTAEEI--------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4LMB.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 : 733 21100 28.79 133.54 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : 28.79 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.406

(partial model without unconserved sides chains): PDB file : Tito_4LMB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4LMB-query.scw PDB file : Tito_Scwrl_4LMB.pdb: