Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPPKKRKAVGSKRDATTATAAAAATAAKTRQRKTAGTKTAAASKKSTFKPAPKKRAAQLPCTSPAARMASKAATRKANIVKVTAASATKTKAAPAQKPSSSSSSHTSIRAESQQAANTPERGPTAEKIAVSSAERRKSSPSPQPPVAAEAAAATAPAPAARAHRKGATVKHPPRTDEELDDGGGIASSAAEEKTERTYRKDAHGNATAAPSTLTARTSTATRSSRPIVVVANNEDESEQEGNDGEDTIFFGSDVVDATRSDGDARQSQLDAPPPPHPSLAASTAAAVEQHLVTSPEVLPTHPLRLLHGGAGGRGGSSSSSSATLDLRGCTTPPPPLLQPAVRGTRKQTSDGNNNGADSPSRQSAESSPEALMADSESKPSSHRWQRQLLAGGTPATQRLREKDALQDGGHRQVGSPPAHAAETVKQLFTEPVRSISATSTPADDSPNGTLIMSHGSEEDGVEEADAPGLHRRQRQHHQHLPPPLDVSSIATHSDSESRWSVGRATEGPPLPPGSATAVTPPPLPSLVPRASSAGGAQLFHRHHRHNSGGVTDDLCRGTSTRLLSTQSSALKDDEASPSLQHKAMASAAQSIPAPAGRLRMGGNTSRQSSPSSSYVWLKRTAGGDAVEASHPAAPTSSAASTLFPAHPPFQQQQQQQQQQQWSSYACPHLSFTSPSSSQLSRLADIDVITEADADAEGGHAATTTTPQRLRLREPPVWRSPQITQLPKSLSVSPVSLRGDSRKGGVKGDAASSLPQPLSQTQPTAHSVSAASSSTGEATQTLAQASANAAGGLQASLHVVPSGPTAAPAVSRPSTQLITKAAATRPIASPGTMWICLDDDDCAGDDSDSEGEGVVGEAKTAAPLHNGSDVPLISVKMEIDAETDAVYTPPEHTAAAAASPSPSGSSHKGGVAVGGEEQTEAPGRLRSRRPSPSKADSGGAGVRVDQSNIPVLSPAQARRRPPAEKSHPIAEILSPTFRPRRRPPDTSADPSHSLGAGSATHQRLASWPASHCYINLDDDTEDEDAEESPPRQRARNAHALDGAVYSAQPMSSASVADVLPALLRASTVTGADARSQLSLPLIIDDDDDEGVPEVGSETHTKESGDQEVRCEGLSPKPPKPKRGTCVEGANEVVANEEDDDDLLKSPQKPHVKDFIFPNRLDPELRPSSPLYRSIHAYQQQYQQQQQRAQGKEEEEHAARHAAAAASPLQEGVNADCRHLPQSAAIPVVIGNTKGAPPDDVAAAGQAGHKRSRAKDAKTGAAAPALPDWGRPADTLLRDFFPTKFTKKSFMEAAKNVMSPM-----HFLEAGDFWAAFASAEFVGEGSFGLVWRCLTVDGDLVAVKSCPIILRTKANIEDSFSTIREIATMRFLSEMQVPYVLPLHSAFFVHAQEALPPLAQEALEWRQRLRKRAEEAALEVEVRLLARGGNRRASHTGAEEDIEDAPLTLEQQVAVQMERLTAAEGPEEQATRARLQSVRLPRFLSITHDDLTQSDATVFLVMELCDG-DVEGISRSDG-----VAKGMVYC--VSSALAAMHELGLLHLDLKPSNILFAYEHGPSQQRLQRFSASGPATDAVKFYLSDFGNCRLVGPDPMDEVQDSYGTFEYMDLRALRDAVCGRPTDAFSLGATLYELLYGRRLYPKCVDPRCRGEEDHSRECFVEAASQPVVLPTVGPPTTAAMVTPV------TTIGLNTAAAGHARG-PHANGGTGSTSGLICSGPALTPLQY-----LTLALLRKPWAERMTAEECRRYLVQTFHITQTEDSSP--- 2ACX Chain:A ((14-532)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KARKGKSKKWRQMLQFPH-ISQCEELRLSLERDYHSLCERNPIGRLLFREFCATRPELSRCVAFLDGVAEYEVTPDDK-RKACGRNLTQNFLSHTGPDLIPEVPRQLVTNCTQRLEQGPCKDLFQELTRLTHEYLSVAPFADYLDS--IYFNRFLQWKWLERQPVTKNTFRQ-YRVLGKGGFGEVCACQVRA-----TGKMYACKKLEKKRIKKRKGEAMALNEKQILEKVNSRFV-VSLAYAYETKDALCLVLTLMNGGDLKFHIYHMGQAGFPEARAVFYAAEICCGLEDLHRERIVYRDLKPENILL--------------DDHG------HIRISDLGLAVHVPEGQ--TIKGRVGTVGYMAPEVVKNERYTFSPDWWALGCLLYEMIAGQSPFQQ------RKKKIKREEVERLVKEVPEEYSERFSPQARSLCSQLLCKDPAERLGCRGGSAREVKEHPLFKKLNFKRLGAGMLEPPFKPDPQAIYCEPTDQDFYQKFATGSVPIPWQNEMVETECFQELNVFGLDGS

General information: TITO was launched using: RESULT: Template: 2ACX.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 : 2193 66100 30.14 141.54 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : 30.14 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.300

(partial model without unconserved sides chains): PDB file : Tito_2ACX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ACX-query.scw PDB file : Tito_Scwrl_2ACX.pdb: