Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------------------------------------------------------MLGGIEAGGTKFVCAVGREDGTIIDRIEFPTKM--PDETIEKVIQYFSQFSLQ---------AIGIGSFGPVDNDKTSQTYGTITATPKAGWRHYPFLQTVKNEMKIPVGFSTDVNAAALGEFLFGEAKGLDSCLYITIGTGIGAGAIVEGRLLQGLSHP--EMGHIYIRRHPDDVYQGKCPYHGDCFEGLASGPAIEARWGKKAADLSD------------------------IAQVWELEGYYIAQALAQYILILAPKKIILGGGVMQQKQVFSYIYQYVPKIMNSYLDFSELSDDISDYIVPPRLGSNAGIIGTLVLAHQALQAEAASGEVRS 1Z05 Chain:A ((34-429)) DHIKQINAGRVYKLIDQKGPISRIDLSKESELAPASITKITRELIDAHLIHETTVQEAISRGRPAVGLQTNNLGWQFLSMRLGRGYLTIALHELGGEVLIDTKIDIHEIDQDDVLARLLFEIEEFFQTYAAQLDRVTSIAITLPGLVNSEQ-----GIVLQMPHYNVKNLALGPEIYKATGLPVFVANDTRAWALAEKLFGHSQDVDNSVLISIHHGLGAGIVLDGRVLQGRHGNIGELGHIQIDPQGKRCHCGN----YGCLETVASSQAIRDQVTARIQAGEPSCLATVEEISIEDICAAAADGDPLAVDVIQQLGRYLGAAIAIVINLFNPEKILIGG------VINQAKSILYPSIEQCIREQSLPVYHQDLKLVESRFYKQATMPGAALIKQALYDGLLLMKVVEG

General information: TITO was launched using: RESULT: Template: 1Z05.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 : 1520 -184720 -121.53 -650.42 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -121.53 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.457

(partial model without unconserved sides chains): PDB file : Tito_1Z05.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1Z05-query.scw PDB file : Tito_Scwrl_1Z05.pdb: