Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPCHKEPIKKELVTLNYRNDIRNVAIIAHVDHGKTTLVDELLKQSDTLDAHTQLQERAMDSNALEKERGITILAKNTAVDYKGIRVNIMDTPGHADFGGEVERIMKMVDGVVLVVDAYEGTMPQTRFVLKKALEQHITPIVVVNKIDKPSARPEHVVDEVLELFIE--------------------------------LG-------------------------------------------ADDDQ------------LDFPVIYASALNGTSSLSDDPADQEPTMAPIFDTIIEKIPAPVD------------------NSDEPLQFQVSLLDYNDYVGRIGIGRVFRGTIKVGDQVALIKLDGTVKKFRVTKLFGFFGLKRLEIQEAKAGDLIAVSGMEDIFVGETVTPVDHQ-DALPILHIDEPTLQMTFLVNNSPFAGREGKFVTARKIEERLMAELQTDVSLRVEPTNSPDAWTVSGRGELHLSILIENMRRE-GYELQVSRPEVIEKE-ID--------------------------------------------------------------------------------------------------------------GVKCEPFERVQIDTPEEYMGSVIESLSLRKGEMQDMVHTGNGQIRLTFLTPARGLIGYSTEFLSMTRGYGIMNHTFDQYLPMLPGQIGGRHQGALVSIDTGKATTYSIMSIEERGTVFVEPGTEVYEGMIIGENSRDNDLTVNITKAKQMTNVRSATKDQTSVIKKPKQLTLEESLEFLNDDEYCEVTPESIRLRKQILEKNAREKASKKKK 2BM0 Chain:A ((6-682)) --------------EYDLKRLRNIGIAAHIDAGKTTTTERILYYTGRIHKIA------------------TITAAVTTCFWKDHRINIIDAPGHVDFTIEVERSMRVLDGAIVVFDSSQGVEPQSETVWRQAEKYKVPRIAFANKMDKTGADLWLVIRTMQERLGARPVVMQLPIGREDTFSGIIDVLRMKAYTYGNDLGTDIREIPIPEEYLDQAREYHEKLVEVAADFDENIMLKYLEGEEPTEEELVAAIRKGTIDLKITPVFLGSALKNK------------GVQLLLDAVVDYLPSPLDIPPIKGTTPEGEVVEIHPDPNGPLAALAFKIMADPYVGRLTFIRVYSGTLTSGSYVYNT-TKG--RKERVARLLRMHANHREEVEELKAGDLGAVVGLKETITGDTLVGEDAPRVILESIEVPEPVIDVAI----EPKTKAD--QE---KLSQALARLAEEDPTFRVSTHPETGQTIISGMGELHLEIIVDRLKREFKVDANVGKPQVAYRETITKPVDVEGKFIRQTGGRGQYGHVKIKVEPLPRGSGFEFVNAIVGGVIPKEYIPAVQKGIEEAMQSGPLIGFPVVDIKVTLYDGSYHEVDSSEMAFKIAGSMAIKEAVQKGDPVILEPIMRVEVTTPEEYMGDVIGDLNARRGQILGMEPRG-NAQVIRAFVPLAEMFGYATDLRSKTQGRGSFVMFFDHYQEVPKQ-------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2BM0.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 : 2372 6843 2.88 15.59 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 2.88 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.478

(partial model without unconserved sides chains): PDB file : Tito_2BM0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BM0-query.scw PDB file : Tito_Scwrl_2BM0.pdb: