Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MERYTVMGQLGDGSFGTVSKAQNTSTGEIVAVKKMKQRFHSWEECL---QLREIQSLRKVQHPNLVKLKEVVREKTELFMIFEYCEKNIFQIQRQRANEMSGTMAFSDKEIRSIMCQTLLGVQAIHKAGFMHRDLKPENLLISGD-LVKVADFGLAKE----IRSRPPFTEYVSTRWYRAPELVLHSTHYNSPVDIWACAVIFAELYLCRPLFPGTSESDQLFKICSVLGSPAPNEWDEGYQLARRMNMRFPTVAPTPLRHILTTAPPAAVDLMAQMLRFNPAERPTATQCLQHPYFTGSGGSSALYAGIATGQPHNPFQLAASSAVAAQSMSNVGLTSNSSPPPTTSNASLFKYANLFNQGNRSPLSVSSTSAPFSGSSALQGSVTSSNMVRSVPTQRKTSVPNAVDSDDEFNF 4YC3 Chain:A ((6-292)) MEDYTKIEKIGEGTYGVVYKGRHKTTGQVVAMKKI--RLESEEEGVPSTAIREISLLKELRHPNIVSLQDVLMQDSRLYLIFEFLSMDL----KKYLDSIPPGQYMDSSLVKSYLYQILQGIVFCHSRRVLHRDLKPQNLLIDDKGTIKLADFGLARAFGIPIRV---YT---VTLWYRSPEVLLGSARYSTPVDIWSIGTIFAELATKKPLFHGDSEIDQLFRIFRALGTPNNEVWPEVESLQDYKNT-FPKWKPGSLASHVKNLDENGLDLLSKMLIYDPAKRISGKMALNHPYF----------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4YC3.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 : 1290 -735 -0.57 -2.66 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -0.57 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.456

(partial model without unconserved sides chains): PDB file : Tito_4YC3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YC3-query.scw PDB file : Tito_Scwrl_4YC3.pdb: