Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRYNSIAKVRKLIRRSVLLLKFISWNVNGLRAIVNKNFLEVFHELDADFFCLQETKLQAGQIDLDL---PGY-YQYWNY-AERKGYSGTAIFAKKPALNATYGMGIDIHDTEGRLITLEYSDFFLVTCYTPNSQSELKRLDYRLEWEEAFYNYLENLKKQKPVIVCGDLNVAHQKIDLKNWKTNQKNAGFTPEERAALSRLLDN-GFIDTFRYFYPTQEGVYSWWNYRFNSRKNNAGWRIDYFLTSKDLEPGLADAKIHTDIMGSDHCPVELDLK 5DFF Chain:B ((20-274)) -------------------LKICSWNVDGLRAWIKKKGLDWVKEEAPDILCLQETKCSENKLPAELQELPGLSHQYWSAPS----YSGVGLLSRQCPLKVSYGIGDE-----GRVIVAEFDSFVLVTAYVPNAGRGLVRLEYRQRWDEAFRKFLKGLASRKPLVLCGDLNVAHEEIDLRNPKGNKKNAGFTPQERQGFGELLQAVPLADSFRHLYPNTPYAYTFWTYMMNARSKNVGWRLDYFLLSHSLLPALCDSKIRSKALGSDHCPITLYL-

General information: TITO was launched using: RESULT: Template: 5DFF.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 : 1299 -9261 -7.13 -38.59 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain B : 0.83 3D Compatibility (PKB) : -7.13 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.668

(partial model without unconserved sides chains): PDB file : Tito_5DFF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5DFF-query.scw PDB file : Tito_Scwrl_5DFF.pdb: