Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRRKFSSVVAAVLIFALIFSLFSPGTKAAAAGAIDQAAALENGKEQTGAMKEPEQVKWYKVTPGATDIQKNSHMALTVKSDSVLNVSVYPSKEKALKDETFEMYRSFTAEDGKSEVIFPYAWSGPYYVKVEYLGEEEPEDGGTAEAAAEAKYTIGYKGTKKQPSDLEEEEACPVEMSVDQKKSGKGILDKLRSIRDEQLSQTAEGKELTSLYYKAAPFIVAKLALNKTARNEIYQDLVTLKPLFDDVSENGASSSYKVTEKDQKAINRLYDKALQSVPSFLKEEIKKQADRLNMKQLQGKTAGAILTENNIAAKSEVQTTKVIFKVKDNKSLSSVHNEMKGFSASAQSKKDISNVKKAKKLFDNLYSFELPKDEKQNGAYTASAKRVKSAAATLSKMSNVEFAEPVQEYKSL---------ANDIQYPYQWPLKNNGENGGVKNADVKYEPANTLLSKRKLNDTLIAVVDTGVDSTLADLKGKVRTDLGHNFVGR-----NNNAMDDQGHGTHVAGIIAAQSDNGYSMTGLNAKAKIIPVKVLDSAGSGDTEQIALGIKYAA--------------------DKGAKVINLSLGGG-YSRVLEFALKYAADKNVLIAAASGNDGENALSYPASSKYVMSVGATNRMDMTADFSNYGKGLDISAPGSDIPSLVPNGNVTYMSGTSMATPYAAAAAGLLFAQN-------------PKLKRTEVEDMLKKTADDISFESVDGGEEELYDDYGDPIEIPKTPGVDWHSGYGRLNVMKAVSAADLQLKVNKLESTQTAVRGSAKEGTLIEVMNGKKKLGSAKAGKDNAFKVNIATQKQDQVLYLKATKGDAKTSYKVVVVKGKPSGTPKVNAVKTKDTAVKGKANSKAMIRVKNKSKKVIASAKADAKGTFSVKIKKQKAGTVLYVTAVDTDKKESKEAKVVVEK 3WIU Chain:A ((42-396)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DVPANAVGKLKKMPGVEKVEFDHQAVLLGKPSWLGGGSTQPAQTIPWGIER-----------VKAPSVWSI-TDGSVSVIQVAVLDTGVDYDHPDLAANIA--WCVSTLRGKVSTKLRDCADQNGHGTHVIGTIAALN-NDIGVVGVAPGVQIYSVRVLDARGSGSYSDIAIGIEQAILGPDGVADKDGDGIIAGDPDDDAAEVISMSLGGPADDSYLYDMIIQAYNAGIVIVAASGNEGAPSPSYPAAYPEVIAVGAIDSNDNIASFSNRQ--PEVSAPGVDILSTYPDDSYETLMGTAMATPHVSGVVALIQAAYYQKYGKIAPVGTFDDISKNTVRGILHITADDLGP-----------------------TGWDADYGYGVVRAALAVQAA------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3WIU.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 : 2119 -173240 -81.76 -564.30 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -81.76 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.460

(partial model without unconserved sides chains): PDB file : Tito_3WIU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WIU-query.scw PDB file : Tito_Scwrl_3WIU.pdb: