Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSTASQHRKSDSAERDEVNVKNAPKVASEAEINRRNVVFAEALRCAC-IAMRVGDDPGYIWTPQRLGAGSFGTVTLA-YRHEGDAVWRKTAVKRISLRKEMRLSAVLEKVRCAGREVALCRRAGVSPHVVPMYEPWFDCREGVIALPMDAGDFSLEQYAVHCGFRFPPLVLLSMCAQCARAVAHLHRRGVVHRDVKPDNFVVNVFDTAGGAGAGGDGGRRDARAPLVRILDFGLACGVEEVGQELKRCVGTPHYMAPETFSHLCDCDVPAACDVWSLGVTLFRLATGVFPVFEMDKTWQQPPFTALHSGKLWLPSRNLFHEPLSAESLAVLSVAASMLVLDPRYRPTADAAVLQLQGFQEAFSHQIQSWPPGSGPQPCRVWKRTRK 4FIF Chain:A ((54-318)) -------------------------------------VSHEQFRAALQLVVDPGDPRSYLDNFIKIGEGSTGIVCIATVRSSGKLV----AVKKMDLRKQQRRELLFNEV--------VIMRDYQHENVVEMYNSYLVGDELWVVMEFLEGG-ALTDIVTHT--RMNEEQIAAVCLAVLQALSVLHAQGVIHRDIKSDSILLT----------------HDGR---VKLSDFGFCAQVSKEVPRRKSLVGTPYWMAPELISRL---PYGPEVDIWSLGIMVIEMVDGEPPYF------NEPPLKAMKMIRDNLPPR---LKNLHKVSPSLKGFLDRLLVRDPAQRATA--------------------------------------

General information: TITO was launched using: RESULT: Template: 4FIF.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 : 1283 -42636 -33.23 -162.11 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -33.23 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.344

(partial model without unconserved sides chains): PDB file : Tito_4FIF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4FIF-query.scw PDB file : Tito_Scwrl_4FIF.pdb: