Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----MKKSSILFI----FILLLC-------IGLQYETIYYTDGSRSGAEYGL-----MGVSIFLALFYMIPAL---YFLFRIGKKWELPKKVLILSLLGGMFLSGWLSSFANTYIHDLLGVLFPDSPFLNAFESAIVA-------------PLVEE--------------------PLKLLPLVFVLALIPVRKLKFLFLLG-----IASGLG------FQMI---EDIGYIRTDLPEGFDFTISRILERIISGIASHWTFSGLAVV--------GVYLLYRAYKGQKVGKKQGLIV---- 3WO4 Chain:B ((1-301)) GPESCTSRPHITVVEGEPFYLKHCSCSLAHEIETTTKSWYKSSGSQEHVELNPRSSSRIALHDCVLEFWPVELNDTGSYFFQM-KNYTQKWKLNVIRRNKHSCFTERQVTSKIVEVKKFFQITCENSYYQTLVNSTSLYKNCKKLLLENNKNPTIKKNAEFEDQGYYSCVHFLHHNGKLFNITKTFNITIVEDRSNIVPVLLGPKLNHVAVELGKNVRLNCSALLNEEDVIYWMFGEENGSDPNIHEEKEMRIMTPEGKWHASKVLRIENIGESNLNVLYNCTVASTGGTDTKSFILVRKAD

General information: TITO was launched using: RESULT: Template: 3WO4.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 : 848 -33408 -39.40 -153.25 target 2D structure prediction score : 0.18 Monomeric hydrophicity matching model chain B : 0.67 3D Compatibility (PKB) : -39.40 2D Compatibility (Sec. Struct. Predict.) : 0.18 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.002

(partial model without unconserved sides chains): PDB file : Tito_3WO4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WO4-query.scw PDB file : Tito_Scwrl_3WO4.pdb: