Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAQAKKSVDIKNIRNFSIIAHIDHGKSTLADRFIQMCGGLQDREMQAQVLDSMELERERGITIKAASVTLYYTHPNGQEYQLNFIDTPGHVDFSYEVSRSLAACEGALLVVDAAQGVEAQSVANCYTAIEQGLEVLPILNKIDLPQAEPERVIHE----I--------------------EE---------------------------------------------------IIG-------------------IEATNAPTCSAKTGLGVEGVLETLVDVIPAPTG--------------------DREAPLQALIIDSWFDNYLGVVSLVRIKDGRIRKGDKMLVKSTGQTHIVTSVGVFNP-KHTETGVLEAGEVGFVIAGIKDIFGAPVGDTITLSTTPEVASLPGFKKVKPQVYAGLFPIDASDFEPFREALQKLQINDSALFFEPESSDALGFGFRCGFLGMLHMEIVQERLEREYDLDLISSAPTVVYEAVTKKGDT------------------------------IYI--------------------------DSP-SKMPD---------------G-------------------SVVEDLREPIAECHILVPQEYLGNVMILCIERRGVQKDMKFLGNQVSITFEIPMAEVVMDFFDKLKSCSRGFASLDYNFIRFESSSLVKVDVLINGEKVDALAMICHRNDARHRGIALVDKMKDLIPRQMFDVAIQAAIGAQIIARSTVKAMRKNVLAKCYGGDVSRKKKLLAKQKEGKKRMKQVGSVEIPQEAFLAVLKVER 2XEX Chain:B ((4-680)) ------EFSLEKTRNIGIMAHIDAGKTTTTERILYYTGRIHKIG-GASQMDWMEQE--------SAATTAAWE-----GHRVNIIDTPGHVDFTVEVERSLRVLDGAVTVLDAQSGVEPQTETVWRQATTYGVPRIVFVNKMDKLGANFEYSVSTLHDRLQANAAPIQLPIGAEDEFEAIIDLVEMKCFKYTNDLGTEIEEIEIPEDHLDRAEEARASLIEAVAETSDELMEKYLGDEEISVSELKEAIRQATTNVEFYPVLCGTAFKNKGVQLMLDAVIDYLPSPLDVKPIIGHRASNPEEEVIAKADDSAEFAALAFKVMTDPYVGKLTFFRVYSGTMTSGSYVKNSTKGKRERVGRLLQMHANSRQEIDTVYSGDIAAAV-GL---KDTGTGDTLCGEKN--DIILESMEFPEPVIHLSVEPKSKADQDKMTQALVKLQEEDPTFHAHT-------Q-VIIGGMGELHLDILVDRMKKEFNVECNVGAPMVSYRETFKSSAQVQGKFSRQSGGRGQYGDVHIEFTPNETGAGFEFENAIVGGVVPREYIPSVEAGLKDAMENGVLAGYPLIDVKAKLYDGSYHDVDSSEMAFKIAASLALKEAAKKCDPVILEPMMKVTIEMPEEYMGDIMGDVTSRRGRVDGMEPRGNAQVVNAYVPLSEM-FGYATSLRSNTQGRGTYTMYFDHYAEVPK--------------------------------------------------------------------------------------------------------------------

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 : 2475 -59714 -24.13 -131.53 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain B : 0.66 3D Compatibility (PKB) : -24.13 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.484

(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: