Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNYKKKSRNFSKNRGRSMNRILVVEDDPQLQLLYRSVLERAGFSVITALNGEDALKKLEATRIELIITDIMMPKMDGYDLLDSLRSTRFDT--PVLMITAKADFEDKKRGFKLGADDYMTKPIDVNEMILRVEALLRRSKINYSSSLIIGQTKLELDAYTVLQDQHSLILPQKEFLLLYKLLSYPNKIFTRQQLMDDIWGLDTNTEERTIDVHIKRLRTRFEKTEDFQ--IITVRGLGYKAVI 2GWR Chain:A ((7-225)) -------------------RILVVDDDASLAEMLTIVLRGEGFD--TAVIG-DGTQALTAVRELRPDLVLLDLMLPGMNGIDVCRVLRADSGVPIVMLTAKTDTVDVVLGLESGADDYIMKPFKPKELVARVRARLRRNDDEPAEMLSIADVEIDVPAHKVTRNGEQISLTPLEFDLLVALARKPRQVFTRDVLLEQVWGYR--ADTRLVNVHVQRLRAKVEKDPENPTVVLTVRGVGYKA--

General information: TITO was launched using: RESULT: Template: 2GWR.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 : 1003 -34486 -34.38 -161.91 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -34.38 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.490

(partial model without unconserved sides chains): PDB file : Tito_2GWR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2GWR-query.scw PDB file : Tito_Scwrl_2GWR.pdb: