Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MISKKSKDKEELKMTAIYNSVTELIGKTPIVKLNKIVPED--SADVFVKLEFFNPGGSVKDRIALSMIEKAEHDGLLKPGDTIIEPTSGNTGIGLSMVGVAKGYKVIIVMPETMSIERRLLMKGYGAELILTPGA---DGISGSIREAERLAKE--NGYFLPLQFENEANPLVHEKTTGPEIHQAFGVNGLDAFVAGIGTGGTITGAGRELKRVYPKSRINRGRTSRICYFRRERSGTSQNPRNRYRFCS 4COO Chain:A ((94-302)) ------------KSPKILPDILKKIGDTPMVRINKIGKKFGLKCELLAKCEFFNAGGSVKDRISLRMIEDAERDGTLKPGDTIIEPTSGNTGIGLALAAAVRGYRCIIVMPEKMSSEKVDVLRALGAEIVRTPTNARFDSPESHVGVAWRLKNEIPNSHILD-QYRNASNPLAHYDTTADEILQQCD-GKLDMLVASVGTGGTITGIARKLKEKCPGCRI------------------------------

General information: TITO was launched using: RESULT: Template: 4COO.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 : 944 35638 37.75 179.09 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : 37.75 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.443

(partial model without unconserved sides chains): PDB file : Tito_4COO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4COO-query.scw PDB file : Tito_Scwrl_4COO.pdb: