Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNDFTTEIMEILINKGDLDDLFRRHLELAINALLQAELTVFLDYEKYDRAGFNSGNSRNGNYSRSFKTEYGELNLVIPRDRNGDFSQQTLPAYKRTNDSLETT--IIQLVQKGITMSEISDLIEKMYGHYYKPQTISNMSKIVSEDVSAFKERTLEAKYSVIFMDATHIPLKRQTVSKEAVYIVIGIRLDGTKEVLGFTIAPTESAYVWKEILQDLKDRGLEEVLLVVTDGLSGIDDSIHSVYPNAQFQQCCVHISRNIAHKVRVSDRQEICSDFKLVYQASSKEEANNQIRFMIDKWKKQYPRVVKLLMNPAILTFYNFPPSIRRTIYSTNLIEGFNKQLKKYTKRKEQFPNEESLERFLVSQFNNYNQKFLCRVHKGFKEIHDTLESMF 4NNU Chain:A ((53-193)) ------------------------------------------------------------------------------------FSKEQLPIFKAQNPDAKTTELIRRIAQR---WRELPDSKKKIYQDAYRAEW-----QVYKEEISRFKEQLTPSQIMSLEKEIMDKHLKRKAMTKKKELTLLG-KPKRPRSAYNVYVA---------ERFQEAKGDSPQEKLKTVKENWKNLSDSEKELY----------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4NNU.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 : 163 20457 125.50 147.17 target 2D structure prediction score : 0.39 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 125.50 2D Compatibility (Sec. Struct. Predict.) : 0.39 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.205

(partial model without unconserved sides chains): PDB file : Tito_4NNU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NNU-query.scw PDB file : Tito_Scwrl_4NNU.pdb: