Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKHISMLFVFLMAVMVLSACNSSESSSNSEVSSSKTRTVKHAMGTSDNIPANPKRIVVLTNEGTEALLALGIKPVGAVKSWKGDPWYD---YLKDDMKGVKNVGLETEPNVEAIAELKPDLIIGNKVRQEKIYDQLNAIAPTVFAESLAGNW----KDNLTLYANAVNK--ADKGKEVIADFDKRVSDLKNKLGDQTNKTVSVVRFLSGESRIYYTDSFPGIILDQLGFKRPEKQVELFKKQKDQFTFSTDSKESIPDMDADVLFY----FTYKADNAKENEKWANQWTSSSLWKNLKAVKSGNAHEVDDVVW-TTAGGIKAANYLLDDIETYFLKTK 4JCC Chain:A ((22-282)) -----------------------------------------------------PEKIVTFDLGAADTIRALGF-----AKNIVGMPTKTVPTYLKDLVGTVKNVGSMKEPDLEAIAALEPDLIIASP-RTQKFVDKFKEIAPTVLFQASKDDYWTSTKANIESLASAFGETGTQKAKEELAKLDESIQEVATK-NESSDKKALAILLNEGKMAAFGAKSRFSFLYQTLKFKPTDTKFE-DSRHGQEVSF-----ESVKEINPDILFVINRTLAIGGDNSSNDGVLEN-----ALIAETPAAKNGKIIQLTPDLWYLSGGGLESTKLMIEDIQ-------

General information: TITO was launched using: RESULT: Template: 4JCC.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 : 1239 -99080 -79.97 -401.13 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -79.97 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.487

(partial model without unconserved sides chains): PDB file : Tito_4JCC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4JCC-query.scw PDB file : Tito_Scwrl_4JCC.pdb: