Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKQPGQAVSWQEQRLEQAIAAMSDWQNKTIHYRPVSGGISNANWHVAVEGAPCAYFVKIPGEGTERFINRDTAHEASLKAAQTGYGVPVVAYLRDLGVEVFEFIDGWRASSNLDFQQQ-GIRHRALHALKSFNDQPLLTEDK-TVFDMLGEHIEQVRSLQAPFSADAVWLHKQAQRAQQALEAAGLDRVPCMNDTLAGNFMLNASNDIRLVDFEYASNNDRCYELALWFGEMFFTPQIELELLEDYF-GKVDAAIFARVQIHKYLADMKWSTWAIIQHQVADIDFDFSKYGRWKELRARSVLNHPDWENWLRAL 3DXQ Chain:A ((41-297)) ---------------------------------------------------------LRIPGK----YINRANEAVAAREAAKAGVSPEVLHVDPATGVMVTRYIAGAQTMSPEKFKTRPGSPARAGEAFRKLHGSGAVFPFRFELFAMIDDYLKVLS--NVTLPAGYHDVVREAGGVRSALAAHPLPLAACHCDPLCENF-LDTGERMWIVDWEYSGMNDPLWDLGDLSVEGKFNANQDEELMRAYFGGEARPAERGRVVIYKAMCDLLWTLWGLIQLANDNPVDDFRAYADGRFARCKALMETPEFSRHLAAV

General information: TITO was launched using: RESULT: Template: 3DXQ.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 : 1165 -6597 -5.66 -26.60 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -5.66 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.393

(partial model without unconserved sides chains): PDB file : Tito_3DXQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3dxq-query.scw PDB file : Tito_Scwrl_3DXQ.pdb: