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 6CGG Chain:A ((8-225)) -------------NATNVKAMKYLIEHYFDNFKVDSIEIIGSGYDSVAYLVNNEYIFKTKFSTN--KGYAKEKAIYNFLNTNLETNVKIPNIEYSYISD---ELSILGYKEIKGTFLTPEIYSTMSEEEQNLLKRDIASFLRQMHGLDYTDISECTIDNKQNV-LEEYILLRETIYNDLTDIEKDY-IESFMERLNATTVFE----GKKCLCHNDFSCNHLLLDGNNRLTGIIDFGDSGI------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 6CGG.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 : 623 44271 71.06 218.08 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 71.06 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.296

(partial model without unconserved sides chains): PDB file : Tito_6CGG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-6cgg-query.scw PDB file : Tito_Scwrl_6CGG.pdb: