Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGRFKSTLDVKCPTKEIAMLDEIKMIESVAPDIIEVLQERYKILRNIYWMQPIGRRSLSESMGITERVLRTETDLLKNLNLIDTSKSGMTLTTKGEEVYQSLENFMDQLLGTHQTEQQLAEYFGNQRCIVVSGNSEEQTKVADAFGEALSEALDRLLPEGENIIAVMGGTTMAVVAEQLSNLENKKRHNLFVPARGGIGEAITVQANSVSARMAAKANGNHRALYVPEQLSLATYNSLLNEPSIQEVLNLISEANCVIHSIGRALHMAARRKMTEKELVMLKQANAVAESFGYFFNEKGEVVYKVPRIGIELQDLEKVPIIMAIAGGKSKAKAIRAYMKNAPKQTWLITDEAAANEILKGVTL 3BXE Chain:B ((5-253)) -----------------------------------------------------------------------------------------------------------DVLGLTLLEKTLKERLNLKDAIIVSGDSDQSPWVKKEMGRAAVACMKKRF-SGKNIVAVTGGTTIEAVAEMMTP-DSKNRELLFVPARGGLGEDVKNQANTICAHMAEKASGTYRLLFVPGQLSQGAYSSIIEEPSVKEVLNTIKSASMLVHGIGEAKTMAQRRNTPLEDLKKIDDNDAVTEAFGYYFNADGEVVHKVHSVGMQLDDIDAIPDIIAVAGGSSKAEAIEAYFKK-PRNTVLVTDEGAAKKLLR----

General information: TITO was launched using: RESULT: Template: 3BXE.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 : 1442 -148639 -103.08 -596.94 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain B : 0.74 3D Compatibility (PKB) : -103.08 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.543

(partial model without unconserved sides chains): PDB file : Tito_3BXE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BXE-query.scw PDB file : Tito_Scwrl_3BXE.pdb: