Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MADIANIDRNQDDPAEQISAVLQ-LAGISQVGKIERILSGGMNQVYIVDDELVIRIND-GRDGRTFERESKILKTIKGR----VKVPEIVFSDFSQTQMPFDIMVLKRIPGQPLVS-EWSTLNDSQRRVYIMRICDELRKLHGLPLGDIRELG--EETPWATRVEQYIEECLESASQDEQIDHQIVLFLKEYFSVNKRE-LQNPCQQVLTHNDIHFGNILVSN-GELQALLDFEYSGICPIDFELAKIINFCFTP--GQYVEKKLERHYDKPMPDVLKWFMEFYPELFQQRSLAVRQRLFLIPEILWGFKVAYIPKVSSDRDRSDAISPEELIQKLQMAYDRFHYVFGEQFPHIKNEASP 5IQC Chain:A ((7-284)) --------DNATNVKAMKYLIEHYFDNF-KVDSIEIIGSGYDSVAYLVNNEYIFKTKFSTNKKKGYAKEKAIYNFLNTNLETNVKIPNIEYSYISD---ELSILGYKEIKGTFLTPEIYSTMSEEEQNLLKRDIASFLRQMHGLDYTDISECTIDNKQNVLEEYILLRETI------YNDLTDIEKDYIESFMERLNATTVF-EGKKCLCHNDFSCNHLLLDGNNRLTGIIDFGDSGIIDEYCDFIYLLEDSEEEIGTNFGEDILRMYGNI-----------------DIEKAKEYQDIVEEYYPIET--IVYGIK--------------------------------------------

General information: TITO was launched using: RESULT: Template: 5IQC.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 : 1170 28664 24.50 108.16 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 24.50 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.390

(partial model without unconserved sides chains): PDB file : Tito_5IQC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5iqc-query.scw PDB file : Tito_Scwrl_5IQC.pdb: