Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLRSAMHASDVDDAGRALQSTQRSIVSISRLTNEMSEVRAMSEGSFGVVKCYRHDFDKLEYAVKQTKRPICGESNLQQQLQEIYALSSFPHRHIVRYFDGWVEDRAVFVRLEKLDDC-M-ASL-PPPVSESVLTAMLHQTSTALYELHSHDVVHMDVKPENILRRQLDADTFIFKLCDFGLARPLNGKDSVTGEHFLGLNDDDGDRRYMSPELLKNLHDVVGPPADMYALGKSCEAMMTA--TEDPSNTS-------------ARHLESYSPAFIALIESMLCEDPARRPSAFQVVQATLPERLLSDGGLLELQRRIDAIRCEISDLDASDNDVMSSPRT 4XBR Chain:A ((93-350)) --------------------------------RSYLDNFIKIGEGSTGIVCIATVRSSGKLVAVKKMDLRK--QQRRELLFNEVVIMRDYQHENVVEMYNSYLVGDELWVVMEFLEGGALTDIVTHTRMNEEQIAAVCLAVLQALSVLHAQGVIHRDIKSDSILLTH--DG--RVKLSDFGFCAQVSKEVP-------RRKSLVGTPYWMAPELISRL--PYGPEVDIWSLGIMVIEMVDGEPPYFNEPPLKAMKMIRDNLPPRLKNLHKVSPSLKGFLDRLLVRDPAQRATAAELLKHPFLAKA------------------------------------

General information: TITO was launched using: RESULT: Template: 4XBR.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 : 1153 -24103 -20.90 -100.43 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -20.90 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.327

(partial model without unconserved sides chains): PDB file : Tito_4XBR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XBR-query.scw PDB file : Tito_Scwrl_4XBR.pdb: