Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKNKTIILGGFTEMKKAKLFGLGAVALAAGLFLGACGNNGSTDSSGGKSSSDTTTAALITDTGGVDDRSFNQS-AWEGLEKWGKDQGLSRGNDGFQYFQSSNESDY-IPNIDQALNAG-FKTIFGIGYKLKPAIQEQATNNTGTNFVIID-DVIDGLDNVVSATFKDNEASYLAGVAAA-----YTTETNVVGFIGGVKG---EVIDRFDAGFKAGVDAGAKEL-GKEIK-VLNQYAGDFSAPDKGRSIAQG-MYAQNADIIFHASGGTGNG-VFQEAKSLNESGDKKVWVIGVDRDQSDEGEYTLNGEKKNFTLTSTLKAVGTVVEDLAQKSADGKFPGGEHTVYGLKEDGVGLT-----------------------------------EGQLSDEAKKAVDEAKEKIISGDVKVPETPEEN------------------- 4PEV Chain:A ((52-421)) ----------------------------------------------------PISVLVLFDVGGRGDLSFN-DMAALGADRAAEELGV------DVVFQTPQSLAVMESVLDAASRSGEYDLIVLVGFLWQEPLEKVAPRYPEQKYALIDAATRERYDNVASYLFREQEVASLVGIIAADIANNISKATGEEAKAGAVAGMDIPPLWRFHIGYLYGVQYYNQA-MGTDVEMV-WTYTGRFDDPTLGKTTAEQML-QQGVRVFYGVAGLTHVGMF----NAVKEAAARGVIAFSIGQDASQEWYDP------QTIIISGLKRVDVAVYTAIKDVVEGRFRGGIVSL-GLKEGGLGLSDEEIIRYFAEIAAETGQLPEGLTPEKVVEIVMSQREKWISNDGWRLVEELKQKIISGEIKFVTPQDHDTYDSIIEELKAGNLEAALE

General information: TITO was launched using: RESULT: Template: 4PEV.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 : 1811 44375 24.50 147.92 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : 24.50 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.438

(partial model without unconserved sides chains): PDB file : Tito_4PEV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PEV-query.scw PDB file : Tito_Scwrl_4PEV.pdb: