Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAEIYLAGGCFWGLEEYFSRISGVLETSVGYANGQVETTNYQLLKETDHAETVQVIYDEKEVSLREILLYYFRVIDPLSINQQGNDRGRQYRTGIYYQDEADLPAIYTVVQEQERMLGRKIAVEVEQLRHYILAEDYHQDYLRKNPSGYCHIDVTDADKPLIDAANYEKPSQEVLKASLSEESYRVTQEAATEAPFTNAYDQTFEEGIYVDITTGEPLFFAKDKFASGCGWPSFSRPISKELIHYYKDLSHGMERIEVRSRSGSAHLGHVFTDGPRELGGLRYCINSASLRFVAKDEMEKAGYGYLLPYLNK 4W8C Chain:B ((12-142)) -----FALGCFWGPDAQFGSIKGVVSTRVGYAGGTTNNPSYYNLG--DHSESIEIQYDANVITYGELLNIFWNLHNPVY-----ETTNRQYMSRIFYLDDGQKSEALEMKRQIEAANGEKIYTEIVPLENFYLAEGYHQKYYL-------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4W8C.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 459 -38118 -83.05 -290.98 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain B : 0.63 3D Compatibility (PKB) : -83.05 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.509

(partial model without unconserved sides chains): PDB file : Tito_4W8C.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4W8C-query.scw PDB file : Tito_Scwrl_4W8C.pdb: