Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKMKPPVEKNEYYDVTFEDLTHEGAGVAKVQGFPIFVPNALPEEKAQIKVTRVKKGFAFGRLIELKEESPHRTDAPCPIYKQCGGCQLQHMTYEGQLLFKQKQVKDVLERIGKLDLSKVTVHPTLGMEDPWNYRNKAQVPVGEREGG-LVAGFYQQRSHDIIDMSACLIQQSKNDEAVQAVKDICANYGVKAYNEERHKGWLRHIMVRYGVVTGEMMIVFITRTSDFPHKAKIIEDITAQFPHVKSIVQNINPNKTNVIFGNETNVIWGEEYIYDLIG----DVKFAISARSFYQVNPEQTKVLYDKALEYAELQGEETVIDAYCGIGTISLFLAKQAKKVYGVEIVPEAIEDAKRNAELNGNTNAEFAVGEAETVIPKWY------------EEGITADTLVVDPPRKGCDEALLRTIVEMKPKRVVYVSCNPGTLARDLRVLEDGGYVTREVQPVDMFPHTNHVECCVLIKLKE 3BT7 Chain:A ((3-369)) ---------------------------------------------------------------------------------HMTPEHLPTEQYEAQLAEKVVRLQSMMAPFSDLV------PEVFRS-PVSHYRMRAEFRIWHDGDDLYHIIFDQ-QTKSRIRVDSFPAASELINQLMTAMIAGVRNNPVL-------RHKLFQIDYLTT-LSNQAVVSLLYHKKLDDEWRQEAEALRDALRA-QNLNVHL------IGRATKTKIELDQDYIDERLPVAGKEMIYRQVENSFTQPNAAMNIQMLEWALDVTKG-SKGDLLELYCGNGNFSLALARNFDRVLATEIAKPSVAAAQYNIAANHIDNVQIIRMAAEEFTQAMNGVREFNRLQGIDLKSYQCETIFVDPPRSGLDSETEKMVQ--AYPRILYISCNPETLCKNLETLS-QTHKVERLALFDQFPYTHHMQCGVLLTAK-

General information: TITO was launched using: RESULT: Template: 3BT7.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 : 1870 -184496 -98.66 -527.13 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -98.66 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.413

(partial model without unconserved sides chains): PDB file : Tito_3BT7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BT7-query.scw PDB file : Tito_Scwrl_3BT7.pdb: