Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKKVLITGFDPFDKETVNPSWEAAKRLNGFETEEAIITAEQIPTVFRSALDTLRQAIQKHQPDIVICVGQAGGRMQITPERVAINLADARIPDNEGHQPIDEEISPDGPAAYWTRLPVKRMTAKMKEHGIPAAVSYTAGTFVCNYLFYGLMDHISRTSPHIRGGFIHIPYIPQQTIDKTA-----PSLSLDTIVRALRIAAVTAAQYDEDVKSPGGTLH 2DF5 Chain:A ((2-212)) ---KVLVTGFEPFGGEKINPTERIAKDLDGIKIGDAQVFGRVLPVVFGKAKEVLEKTLEEIKPDIAIHVGLAPGRSAISIERIAVNAIDARIPDNEGKKIEDEPIVPGAPTAYFSTLPIKKIMKKLHERGIPAYISNSAGLYLCNYVMYLSLHHSATKGYPKMSGFIHVPYIPEQIIDKIGKGQVPPSMCYEMELEAVKVAIEVALTQDMINKS------

General information: TITO was launched using: RESULT: Template: 2DF5.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 : 1165 -129692 -111.32 -629.57 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -111.32 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.577

(partial model without unconserved sides chains): PDB file : Tito_2DF5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2DF5-query.scw PDB file : Tito_Scwrl_2DF5.pdb: