Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MISKKSKDKEELKMTAIYNSVTELIGKTPIVKLNKIVP----EDSADVFVKLEFFNPGGSVKDRIALSMIEKAEHDGLLKPGDTIIEPTSGNTGIGLSMVGVAKGYKVIIVMPETMSIERRLLMKGYGAELILTPGADGISGSIREAERLAKEN--GYFLPLQFENEANPLVHEKTTGPEIHQAFGVNGLDAFVAGIGTGGTITGAGRELKRVYPKSRINRGRTSRICYFRRERSGTSQNPRNRYRFCS 2PQM Chain:B ((13-199)) ----------------IYHNILETIGGTPLVELHGVTEHPRIKKGTRILVKLEYFNPMSSVKDRVGFNIVYQAIKDGRLKPGMEIIESTSGNTGIALCQAGAVFGYRVNIAMPSTMSVERQMIMKAFGAELILTEGKKGMPGAIEEVNKMIKENPGKYFVANQFGNPDNTAAHHYTANEIWEDTDG--EVDIVVSAVGTSGTVIG--------------------------------------------

General information: TITO was launched using: RESULT: Template: 2PQM.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 798 14573 18.26 80.51 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain B : 0.79 3D Compatibility (PKB) : 18.26 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.354

(partial model without unconserved sides chains): PDB file : Tito_2PQM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PQM-query.scw PDB file : Tito_Scwrl_2PQM.pdb: