Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -MNQKEQNEHSKDFNLRSKLIGIVSITFIAAIALAVIFGGFFFGMKGLFSILGITYASNQTLALFILA-CFAVG-----LIIDP-------LTKIISIILAKSLSLKKTALFAFILYFISNLITICFA-DYFMQSIYIPDVLLVVISAFMAIIELA-------FDNQPNREAA------ 4DOX Chain:A ((11-174)) IAFPAITQEQMSSIKVDPTSNLLPSQEQLKSVSTLMVAAK-------------VPAASVTTVALELVNFCYDNGSSAYTTVTGPSSIPEISLAQLASIVKASGTSLRKFCRY--FAPIIWNLRTDKMAPANWEASGYKPSAKFAAFDFFDGVENPAAMQPPSGLTRSPTQEERIANATN

General information: TITO was launched using: RESULT: Template: 4DOX.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 : 472 -90550 -191.84 -665.81 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -191.84 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.245

(partial model without unconserved sides chains): PDB file : Tito_4DOX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4DOX-query.scw PDB file : Tito_Scwrl_4DOX.pdb: