Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVKYQYEFPLDKAGKAGAVKPYRGGKNDFVTPVSNLSGVAEILTNAALKATEAYSQLGQDRLGAVLISKVKGWAYA-----DREGTLFIEESDNNNV--WTTTAAVNVAAGVLTATDWVYLSKRYYRFRYVN--GNLQQSEFVLYQSVGAGEMDVRVNEKTPLQIDFAENQTHDGRLKVEARKTFDFVFHENAESASEGAALPVDGAAHLLVEVYGTAEMSEVKFWGKSVSGQKLPIRGVKTDDATTASSTLGKAEAWAFDIKGFKEIIMEIISITGGTLSVKGTAVS 4GWI Chain:A ((60-145)) -----------------------------------------------------------DLGKTENVGKVKLYNRGDGNVANRLSNFDVVLLNEAKQEVARQHFD-SLNGKAELEVFFTAKDARYVKVELKTKNTPLSLAEVEVFR----------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4GWI.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 : 298 -24461 -82.08 -317.67 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.54 3D Compatibility (PKB) : -82.08 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.192

(partial model without unconserved sides chains): PDB file : Tito_4GWI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4GWI-query.scw PDB file : Tito_Scwrl_4GWI.pdb: