Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIEISLNKINKSYGFNPILKDFSFEIKSGERIALIGPNGCGKTTTLRIIMGEDIDSGSINIRKGARVGYLSQIPNKEKDNVKAKEVF--YRGVKELIELENNINEFVKNMNSSEKSIKALDRLQEEFRIKGGYQLNERINKIKNGFKLSDE--------LLDTEYNNLSGGEKTIINLASLVLSEVDVLLLDEPTNHLDIET---LEWFEEYLNNYKGACLIVSHDRYFLDRVINKIVEIKNCKEEVYYGN---YSYYLKESEKRFLLQ--FQSYKNQQKEITAIKEAIVRLKEWGTKSDNPMFFRRAAAMQKRLDRMELIDKPVEKSELKVNFVTTDRSGNEVLKIKNLDLNIGSRELLVSSNMEIYYQDRVCLMGRNGTGKTTLIKNIIN---NTHDNIILGTNIKIGYIPQEIRFDNEELTIYEHMRKIFVGSESELRSKLNRFYFGSEEI---------DKKLKNISGGEKVRIKLLELILLKSNFLILDEPTNHIDIDTREILEEALLDF----DGTILFISHDRYFINKIATRIVRIENKKLVSYEGNYDSLKVKTVPVIENTIKETPQVINIKGSNRLNEFIKDAKIEEVTIGCSNTKVYKIRKKSKVFFLKVADHLSQESIRLDYLQDKILVPEKVFYEKYNGKSYILTKSLKGEMLCSDYYSNHPLEGINIIVEAFNNLYNIDYSDCVIDETIDTKIKRIEDRFSKINNEDINKKILNRFITKENILKYLKGNKPKQIIGFTHGDMSLPNIFACDGHFSGLLDVSECGLGDIYFDLVICEISIERNYGKEYIDKFYESLGIEKDEFKSEYYRILMSL 5LW7 Chain:B ((100-534)) -------------------------VKDGMVVGIVGPNGTGKTTAVKILAGQ-------------------LIPNLCEDNDSWDNVIRAFRGN----ELQNYFERLKNGEIRPVVKPQYVDLLPKA--VKG--KVRELLKKVDEVGKFEEVVKELELENVLDRELHQLSGGELQRVAIAAALLRKAHFYFFDEPSSYLDIRQRLKVARVIRRLANEGKAVLVVEHDLAVLDYLSDVI--------HVVYGEPGVYGIFSKPKGTRNGINEFLQGY---------LKDENVRFRPYEI---------RFTKLSERVD--------VERETL--------------VEYPRLVKDYGSFKLEVEPG-EIRKGEVIGIVGPNGIGKTTFVKMLAGVEEPTEGKV--EWDLTVAYKPQYIKAEYEG-TVYELLSKID-------SSKLNSNFYKTELLKPLGIIDLYDRNVEDLSGGELQRVAIAATLLRDADIYLLDEPSAYLDVEQRLAVSRAIRHLMEKNEKTALVVEHDVLMIDYVSDRLIVFEGE----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5LW7.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 : 1832 83272 45.45 207.66 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain B : 0.64 3D Compatibility (PKB) : 45.45 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.170

(partial model without unconserved sides chains): PDB file : Tito_5LW7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5lw7-query.scw PDB file : Tito_Scwrl_5LW7.pdb: