Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKFVMMKTLYNNPIVRQRADPWVYKHTDGYYYFTGSVPGYQVIELRRAKSLNELEHAASLIVWQAHEEG--PMSELIWAPEVHYINGKWYIYFAASNHKTIRDES--HHHRMFVLENQHIDPMNTD--WIEKGQIKTKRETFSLDGTTFSSQGKLYYVWAQQDPEITGNSNLYLSEMDNPWTLKGKQILLSIPEYEWEKRGFSVNEGPAVLTRNGKIFITYSGSATDENYAMGLLWADEHKNLLLKESWHKLSEPVFVSSEKNKQFGPGHNSFTVSEDGCFDILIYHARPEKNQKGDPLDNPNRHANAQCFTWNEQGFPEFGEPVPYAL 5M8E Chain:B ((22-343)) -------TVRYENPVIIQRADPYIYKHTDGYYYFVASVPAYNLIELRRAKTIDGLAHAMPRTIWRKHDSGTGAQSELIWAPELHYTDGKWYVYYAAS-HTTAFDENGMFQHRMFAIECDAEDPMETEENWVEKGQIETHLDSFALDATSFELNDKLYYVWAQKDPEIKGNSNLYIAEMENPWTLKTAPVMLSKPEFDWETKIFWVNEGPAILKRNGKVFLTFSGSATDENYAMGMLWIEDDKDVLDAANWHKLDHPVFQSDMENGLYGPGHNSFTVAEDGETDLLVYHVRNYLDIKGDPLYDPNRHTMVQPFEWDDEGFPVFGKPQPFTF

General information: TITO was launched using: RESULT: Template: 5M8E.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 : 1865 48861 26.20 154.62 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain B : 0.86 3D Compatibility (PKB) : 26.20 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.516

(partial model without unconserved sides chains): PDB file : Tito_5M8E.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5M8E-query.scw PDB file : Tito_Scwrl_5M8E.pdb: