Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIKCGENNEGGKYMQIDWNNLGFSYIKTPWRFIAKWKD-GQWEEGELTEDNYLTIHEGSPALHYGQQCFEGLKAYRRKDGKVNLFRPEQNSRRMNQSARRLLMPMVPEKMFVDAVKQVVKANEDFVPPYGTGATLYLRPLLIGVGENIGVHPAPEYLFVVFCTPVGAYFKGG-LKPTNFIVS-DYDRAAPKGTGAAKVGGNYAASLLPGTEAKELDYSDCVYLD-PATHTKIEEVGAANFFGI--T-K-DGKFITPQ-SPSILPSITKYSLLQLAEER-LGLQAIEGDIFIDDLDQF------AEAGACGTAAVISPIGGIYHNNNLHVFYSETE-VGPVTKRLYDELTGIQFGDIEAPEGWIEVVE 2ABJ Chain:J ((21-366)) --------------KPDPNNLVFGTVFTDHMLTVEWSSEFGWEKPHIKPLQNLSLHPGSSALHYAVELFEGLKAFRGVDNKIRLFQPNLNMDRMYRSAVRATLPVFDKEELLECIQQLVKLDQEWVPYS-TSASLYIRPAFIGTEPSLGVKKPTKALLFVLLSPVGPYFSSGTFNPVSLWANPKYVRAWKGGTGDCKMGGNYGSSLFAQCEDVDNGCQQVLWLYGR--DHQITEVGTMNLFLYWINEDGEEELATPPLDGIILPGVTRRCILDLAH-QWGEFKVSERYLTMDDLTTALEGNRVREMFSSGTACVVCPVSDILYKGETIHIP-TMENGPKLASRILSKLTDIQYGREES--DWTIVLS

General information: TITO was launched using: RESULT: Template: 2ABJ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain J - contact count / total energy / energy per contact / energy per residue : 1763 -9026 -5.12 -27.43 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain J : 0.78 3D Compatibility (PKB) : -5.12 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.443

(partial model without unconserved sides chains): PDB file : Tito_2ABJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ABJ-query.scw PDB file : Tito_Scwrl_2ABJ.pdb: