Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNSSQEPNQSLFNQASTSIQACIECMFACKHCASACLQEEHVHM----MRKCIKHCLTCVETCQLCTSLELRHSELAEQAMQLCANACQLCAAECSKHEHEHCQVCAKACLACAQACQAYRA 3KAV Chain:A ((37-127)) ------------------------CRLAAQACIRAC--ERYLALCTESSREQRQHAGDCADLCRLAALLMERRSPWAPAACELAARYALACAERCDGDEPLE-RECAGACRRFVEACR----

General information: TITO was launched using: RESULT: Template: 3KAV.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 : 386 -41873 -108.48 -481.30 target 2D structure prediction score : 0.84 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -108.48 2D Compatibility (Sec. Struct. Predict.) : 0.84 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.694

(partial model without unconserved sides chains): PDB file : Tito_3KAV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KAV-query.scw PDB file : Tito_Scwrl_3KAV.pdb: