Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQHQSLFNKSQWTQLVKHFSAVAVLGLTIAAPAWAIDPTAKELRIGFQKSSINFAIAKQQKLFEQEFPNAKITWNEFPAGPQILEALAVGSLDVGVTGDTPPVYAQAAGKPLYYIAYEAAKPLASAILVPKNSQLKQLKDIKGKRIALQKGSSSHYLLVQAVRKAGLKWSDITPIWLTPADARAAFQKGAVDAWAIWDPYYASAQLEDQARVLVSGKGLSPNYTFYLAAPNFVKQYPKAVPGLIKQINQADKWVQSYQVETASAIGQSTGLKPATSDLFIKRRPRPSSAAPLNSKVIAEQQQIADIFTQQGIIPKPISIKQAVWGAK 3KSJ Chain:A ((26-313)) -----------------------------------AEPA--QLRIGYQKAVSSLVLAKQHRLLEQRFPRTKITWVEFPAGPQLLEALNVGSIDLGGAGDIPPLFAQAAGADLLYVGWVPPTPKAETILVPSKSALRTVADLKGKRIAFQKGSSAHNLLLRVLAKSGLSMRDITPLYLSPANARAAFAAGQVDAWAIWDPWYSALTLDGSARLLANGEGLGLTGGFFLSSRRYATAWGPFVQQVMGTLNQADGLLERDRAGSIKTLAQVSGLPPAVVERTLAHRP-PASVQPLSAQVIKAQQATADLFYAQRLLPKRVLVAPAVWRA-

General information: TITO was launched using: RESULT: Template: 3KSJ.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 : 1667 -169163 -101.48 -587.37 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -101.48 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.547

(partial model without unconserved sides chains): PDB file : Tito_3KSJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KSJ-query.scw PDB file : Tito_Scwrl_3KSJ.pdb: