Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGRFKSTLDVKCPTKEIAMLDEIKMIESVAPDIIEVLQERYKILRNIYWMQPIGRRSLSESMGITERVLRTETDLLKNLNLIDTSKSGMTLTTKGEEVYQSLENFMDQLLGTHQTEQQLAEYFGNQRCIVVSGNSEEQTKVADAFGEALSEALDRLLPEGENIIAVMGGTTMAVVAEQLSNLENKKRHNLFVPARGGIGEAITVQANSVSARMAAKANGNHRALYVPEQLSLATYNSLLNEPSIQEVLNLISEANCVIHSIGRALHMAARRKMTEKE-LVMLKQANAVAESFGYFFNEKGEVVYKVPRIGIELQDLEKVPIIMAIAGGKSKAKAIRAYMKNAPKQTWLITDEAAANEILKGVTL 3BXG Chain:B ((8-253)) --------------------------------------------------------------------------------------------------------------GLTLLEKTLKERLNLKDAIIVSGDSDQSPWVKKEMGRAAVACMKKRFSGKN-IVAVTGGTTIEAVAEMMTPD-SKNRELLFVPARGGLGEDVKNQANTICAHMAEKASGTYRLLFVPGQLSQGAYSSIIEEPSVKEVLNTIKSASMLVHGIGEAKTMA-QRRNTPLEDLKKIDDNDAVTEAFGYYFNADGEVVHKVHSVGMQLDDIDAIPDIIAVAGGSSKAEAIEAYFKKPRNT-VLVTDEGAAKKLLR----

General information: TITO was launched using: RESULT: Template: 3BXG.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 : 1438 -82864 -57.62 -338.22 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.73 3D Compatibility (PKB) : -57.62 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.525

(partial model without unconserved sides chains): PDB file : Tito_3BXG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BXG-query.scw PDB file : Tito_Scwrl_3BXG.pdb: