Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MISKKSKDKEELKMTAIYNSVTELIGKTPIVKLNKIVPEDSADVFVKLEFFNPGGSVKDRIALSMIEKAEHDGLLKPGDTI-IEPTSGNTGIGLSMVGVAKGYKVIIVMPETMSIERRLLMKGYGAELILTPGADGISGSIREAER-LAKE-NGYFLPLQFENEANPLVHEKTTGPEIHQAFGVNGLDAFVAGIGTGGTITGAGRELKRVYPKSRINRGRTSRICYFRRERSGTSQNPRNRYRFCS 2ISQ Chain:A ((3-176)) ----------------IAKDVTELIGNTPLVYLNNVAEGCVGRVAAKLEMMEPCSSVKDRIGFSMISDAEKKGLIKPGESVLIEPTSGNTGVGLAFTAAAKGYKLIITMPASMSTERRIILLAFGVELVLTDPAKGMKGAIAKAEEILAKTPNGYMLQ-QFENPANPKIHYETTGPEIWKGTG-GKIDGFVS------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2ISQ.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 : 780 -1111 -1.42 -6.50 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -1.42 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.424

(partial model without unconserved sides chains): PDB file : Tito_2ISQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ISQ-query.scw PDB file : Tito_Scwrl_2ISQ.pdb: