Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSTASQHRKSDSAERDEVNVKNAPKVASEAEINRRNVVFAEALRCACIAMRVGDDPGYIWTPQRLGAGSFGTVTLA-YRHEGDAVWRKTAVKRISLRKEMRLSAVLEKVRCAGREVALCRRAGVSPHVVPMYEPWFDCREGVIALPMDAGDFSLEQYAVHCGFRFPPLVLLSMCAQCARAVAHLHRRGVVHRDVKPDNFVVNVFDTAGGAGAGGDGGRRDARAPLVRILDFGLACGVEEVGQELKRCVGTPHYMAPETFSHLCDCDVPAACDVWSLGVTLFRLATGVFPVFEMDKTWQQPPFTALHSGKLWLPSRNLFHEPLSAESLAVLSVAASMLVLDPRYRPTADAAVLQLQGFQEAFSHQIQSWPPGSGPQPCRVWKRTRK 4NJD Chain:A ((20-268)) ----------------------------------------------------GDPRSYLDNFIKIGEGSTGIVCIATVRSSGKLV----AVKKMDLRKQQRRELLFNEV--------VIMRDYQHENVVEMYNSYLVGDELWVVMEFLEGG-ALTDIVTHT--RMNEEQIAAVCLAVLQALSVLHAQGVIHRDIKSDSILLT----------------HDGR---VKLSDFGFCAQVSKEVPRRKSLVGTPYWMAPELISRL---PYGPEVDIWSLGIMVIEMVDGEPPYF------NEPPLKAMKMIRDNLPPR---LKNLHKVSPSLKGFLDRLLVRDPAQRATA--------------------------------------

General information: TITO was launched using: RESULT: Template: 4NJD.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 : 1221 -76074 -62.30 -306.75 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -62.30 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.372

(partial model without unconserved sides chains): PDB file : Tito_4NJD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NJD-query.scw PDB file : Tito_Scwrl_4NJD.pdb: