Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRRLPLLEVSQLKMHFDAGKKRTVKAVDGVTFQIREGETFGLVGESGCGKSTLGRVLMRLYQPTEGSVTYRGTNLHALS---EKEQFAFNRKLQMIFQDP-YASLN--PRMTVREIILEPMEIHNLYNTHKARLLVVDELLEAVGLHPDFGSRYPHEFSGGQRQRIGIARALSLNPEFIVADEPISALDVSVQAQVVNLLKRLQKEKGLTFLFIAHDLSMVKHISDRIGVMYLGHMM------EITESGTLYREPLHPYTKALLSSIPIPDPELEDKRERILLKGELPSPVNPPSGCVFRTRCPEAMPECGESRPQLQEIEPGRFVACHLYRNAETKEKVR 5DGX Chain:A ((32-247)) ------------------------KVLSGVSVDIKAGQTVAFVGKSGSGKTTLTSIISRFYTQHEGEILLDGVDTRELTLENLRSHLSIVSQNVHLFDDTVYNNIAFG--EVSEEEVIDALKRANAYE-------FVQELSD--GINTNIGNN-GSKLSGGQRQRISIARALLKNAPVLIFDE----------------LESLTKS--CTTIVIAHRLSTVEN-ADKIVVMDGGRVVESGKHQELLEQGGLY-----------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5DGX.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 : 855 -105510 -123.40 -570.32 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -123.40 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.466

(partial model without unconserved sides chains): PDB file : Tito_5DGX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5DGX-query.scw PDB file : Tito_Scwrl_5DGX.pdb: