Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKWSELSIHTTHEAVEPISNILHEAGASGVVIEDPLDLIKERENVYGEIYQLDPNDYPDEGVIVKAYLPVNSFLGETVDGIKETINNLLLYNIDLGRNHITISEVNEEEWATAWKKYYHPVKISEKFTIVPTWEEYTPVHTDELIIEMDPGMAFGTGTHPTTVLCIQALERFVQKGDKVIDVGTGSGILSIAAAMLEAESVHAYDLDPVAVESARLNLKLNKVSDIAQVKQNNLLDGIEGEHDVIVANILAEVILRFTSQAYSLLKEGGHFITSGIIGHKKQEVKEALEQAGFTIVEILSMEDWVSI-IAKK 3GRZ Chain:A ((1-196)) -------------------------------------------------------------------------------------------------------------------KYYHVINLSRHLAIVPEWEDYQPVFKDQEIIRLDPG-----GNHQTTQLAMLGIERAMVKPLTVADVGTGSGILAIAAHKLGAKSVLATDISDESMTAAEENAALNGIYDIA-LQKTSLLADVDGKFDLIVANILAEILLDLIPQLDSHLNEDGQVIFSGIDYLQLPKIEQALAENSFQIDLKMRAGRWIGLAISRK

General information: TITO was launched using: RESULT: Template: 3GRZ.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 : 1070 -137668 -128.66 -724.57 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -128.66 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.601

(partial model without unconserved sides chains): PDB file : Tito_3GRZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GRZ-query.scw PDB file : Tito_Scwrl_3GRZ.pdb: