Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGRFKSTLDVKCPTKEIAMLDEIKMIESVAPDIIEVLQERYKILRNIYWMQPIGRRSLSESMGITERVLRTETDLLKNLNLIDTSKSGMTLTTKGEEVYQSLENFMDQLLGTHQTEQQLAEYFGNQRCIVVSGNSEEQTKVADAFGEALSEALDRLLPEGENIIAVMGGTTMAVVAEQLSNLENKKRHNLFVPARGGIGEAITVQANSVSARMAAKANGNHRALYVPEQLSLATYNSLLNEPSIQEVLNLISEANCVIHSIGRALHMAARRKMTEKELVMLKQANAVAESFGYFFNEKGEVVYKVPRIGIELQDLEKVPIIMAIAGGKSKAKAIRAYMKNAPKQTWLITDEAAANEILKGVTL 3BXF Chain:B ((9-253)) ---------------------------------------------------------------------------------------------------------------LTLLEKTLKERLNLKDAIIVSGDSDQSPWVKKEMGRAAVACMKKRF-SGKNIVAVTGGTTIEAVAEMMTP-DSKNRELLFVPARGGLGEDVKNQANTICAHMAEKASGTYRLLFVPGQLSQGAYSSIIEEPSVKEVLNTIKSASMLVHGIGEAKTMAQRRNTPLEDLKKIDDNDAVTEAFGYYFNADGEVVHKVHSVGMQLDDIDAIPDIIAVAGGSSKAEAIEAYFKK-PRNTVLVTDEGAAKKLLR----

General information: TITO was launched using: RESULT: Template: 3BXF.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 : 1450 -151680 -104.61 -619.10 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain B : 0.73 3D Compatibility (PKB) : -104.61 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.550

(partial model without unconserved sides chains): PDB file : Tito_3BXF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BXF-query.scw PDB file : Tito_Scwrl_3BXF.pdb: