Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNDFTTEIMEILINKGDLDDLFRRHLELAINALLQAELTVFLDYEKYDRAGFNSGNSRNGNYSRSFKTEYGELNLVIPRDRNGDFSQQTLPAYKRTNDSLETTIIQLVQKGITMSEISDLIEKMYGHYYKPQTISNMSKIVSEDVSAFKERTLEAKYSVIFMDATHIPLKRQTVSKEAVYIVIGIRLDGTKEVLGFTIAPTESAYVWKEILQDLKDRGLEEVLLVVTDGLSGIDDSIHSVYPNAQFQQCCVHISRNIAHKVRVSDRQEICSDFKLVYQASSKEEANNQIRFMIDKWKKQYPRVVKLLMNPAILTFYNFPPSIRRTIYSTNLIEGFNKQLKKYTKRKEQFPNEESLERFLVSQFNNYNQKFLCRVHKGFKEIHDTLESMF 1K78 Chain:A ((31-74)) ---------------------------------------------------------------------------------------------RPLPDVVRQRIVELAHQGVRPCDISRQLR------VSHGCVSKILGRYYE------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1K78.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 : 117 -30753 -262.84 -698.92 target 2D structure prediction score : 0.80 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : -262.84 2D Compatibility (Sec. Struct. Predict.) : 0.80 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.816

(partial model without unconserved sides chains): PDB file : Tito_1K78.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1K78-query.scw PDB file : Tito_Scwrl_1K78.pdb: