Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPCHKEPIKKELVTLNYRNDIRNVAIIAHVDHGKTTLVDELLKQSDTLDAHTQLQERAMDSNALEKERGITILAKNTAVDYKGIRVNIMDTPGHADFGGEVERIMKMVDGVVLVVDAYEGTMPQTRFVLKKALEQHITPIVVVNKIDKPSARPEHVVDEVL------------------------ELFI----EL----GA-------------------------------------------DDD------------QLDFPVIYASALNGTSSLSDDPADQEPTMAPIFDTIIEKIPAPVD--------------------NSDEPLQFQVSLLDYNDYVGRIGIGRVFRGTIKVGDQVALIKLDGTVKKFRVTKLFGFFGLKRLEIQEAKAGDLIAVSGMEDIFVGETVTPVDHQDALPILHIDEPTLQMTFLVNNSPFAGREGKFVTARKIEERLMAELQTDVSLRVEPTNSPDAWTVSGRGELHLSILIENMRRE-GYELQVSRPEVIEKE-ID--------------------------------------------------------------------------------------------------------------GVKCEPFERVQIDTPEEYMGSVIESLSLRKGEMQDMVHTGNGQIRLTFLTPARGLIGYSTEFLSMTRGYGIMNHTFDQYLPMLPGQIGGRHQGALVSIDTGKATTYSIMSIEERGTVFVEPGTEVYEGMIIGENSRDNDLTVNITKAKQMTNVRSATKDQTSVIKKPKQLTLEESLEFLNDDEYCEVTPESIRLRKQILEKNAREKASKKKK 2XEX Chain:B ((5-681)) ---------------FSLEKTRNIGIMAHIDAGKTTTTERILYYTGRIHKIG--GASQMDWMEQE--------SAATTAAWEGHRVNIIDTPGHVDFTVEVERSLRVLDGAVTVLDAQSGVEPQTETVWRQATTYGVPRIVFVNKMDKLGANFEYSVSTLHDRLQANAAPIQLPIGAEDEFEAIIDLVEMKCFKYTNDLGTEIEEIEIPEDHLDRAEEARASLIEAVAETSDELMEKYLGDEEISVSELKEAIRQATTNVEFYPVLCGTAF------------KNKGVQLMLDAVIDYLPSPLDVKPIIGHRASNPEEEVIAKADDSAEFAALAFKVMTDPYVGKLTFFRVYSGTMTSGSYVKNS-TKG--KRERVGRLLQMHANSRQEIDTVYSGDIAAAVGLKDTGTGDTLCGEKNDIILESMEFPEPVIHL----SVEPKSKAD--QD---KMTQALVKLQEEDPTFHAHT-----QVIIGGMGELHLDILVDRMKKEFNVECNVGAPMVSYRETFKSSAQVQGKFSRQSGGRGQYGDVHIEFTPNETGAGFEFENAIVGGVVPREYIPSVEAGLKDAMENGVLAGYPLIDVKAKLYDGSYHDVDSSEMAFKIAASLALKEAAKKCDPVILEPMMKVTIEMPEEYMGDIMGDVTSRRGRVDGMEPRG-NAQVVNAYVPLSEMFGYATSLRSNTQGRGTYTMYFDHYAEVPKS-------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2XEX.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 : 2385 24471 10.26 55.49 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.66 3D Compatibility (PKB) : 10.26 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.404

(partial model without unconserved sides chains): PDB file : Tito_2XEX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2XEX-query.scw PDB file : Tito_Scwrl_2XEX.pdb: