Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKMKLLMTSVLSTSLFLVACGGGSSDDGPATTNPSGTPTNNIQNPVVKVEAYTSTNLGSVAAESSILTYKMLGQSGQEVQATSLVFTPNTPPPVGGWPIVVWAHGTTGVADACAPSKAALADSTKDLISKLLAAGYVVVAPDYEGLGTPGIHPFLNVKSEAFSITDAVVAARNYLSQRNLLTSKKWGTVGHSQGGHAALGAAQYANRAQLDYKGTVAVAPASNWGSILVDGEAQVANAPIDIKIGTYAQLDTYTALVTAGIRNTQPSFDYGQVFTSQISSIAAQAENLCSGPLYGAFYEGMSNYAKDHNGTLDGFTRTQPNFMAVPLVKTFLEKDSQPLQVKVTTPIIIYQGIADPTVPKLATDLLISNATVVGTKINSYVTGNWDHGTAMSSNVDNIVGNVQTLLSAQ 3WYD Chain:B ((304-500)) -------------------------------------------------------------------------------P--YRLYVPTTYDGTKAFPLVIALHGMGGDENSYFDSY-----QRGAFMIEAENRGYIVACPKG------YVG----------PAERDVMDVIAEVRRDYKIDPDRIYMTGHSMGGYGTWSIAMN---HPDVFAALAPVAGGGNPLG----------------------------------------------------------------------------------------------------------------MANIAHIPQLVVHGDNDKTVPVERSRVMVEAAKKHGTEIKYIEIPGGDHVSVAARTFKDVFDWFDSHKRK-

General information: TITO was launched using: RESULT: Template: 3WYD.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 : 1130 -110314 -97.62 -577.56 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain B : 0.58 3D Compatibility (PKB) : -97.62 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.479

(partial model without unconserved sides chains): PDB file : Tito_3WYD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WYD-query.scw PDB file : Tito_Scwrl_3WYD.pdb: