Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MADIANIDRNQDDPAEQISAVLQLA----GISQVGKIERILSGGMNQVYIVDDELVIRIN-DGRDGRTFERESKILK----TIKGRVKVPEIVFSDFSQTQMPFDIMVLKRIPGQPLVSE-WSTLNDSQRRVYIMRICDELRKLHGLPLGDIRELGEETPWATRVEQYI--EECLESASQDEQIDHQIVLFLKEYFSVNKRELQNPCQQVLTHNDIHFGNILV-SNGELQALLDFEYSGICPIDFELAKIINFCFTPGQYVEKKLERHYDKPMPDVLKWFMEFYPELFQQRSLAVRQRLFLIPEILWGFKVAYIPKVSSDRDRSDAISPEELIQKLQMAYDRFHYVFGEQFPHIKNEASP 5IQD Chain:A ((6-225)) -----------DDNATNVKAMKYLIEHYFDNFKVDSIEIIGSGYDSVAYLVNNEYIFKTKFS----KGYAKEKAIYNFLNTNLETNVKIPNIEYSYISD---ELSILGYKEIKGTFLTPEIYSTMSEEEQNLLKRDIASFLRQMHGLDYTDISECTIDNKQNV-LEEYILLRETIYNDLTDIEKDY-IESFMERLNATTVFE----GKKCLCHNDFSCNHLLLDGNNRLTGIIDFGDSGI------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5IQD.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 : 609 40074 65.80 197.41 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 65.80 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.319

(partial model without unconserved sides chains): PDB file : Tito_5IQD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5iqd-query.scw PDB file : Tito_Scwrl_5IQD.pdb: