Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPPKKRKAVGSKRDATTATAAAAATAAKTRQRKTAGTKTAAASKKSTFKPAPKKRAAQLPCTSPAARMASKAATRKANIVKVTAASATKTKAAPAQKPSSSSSSHTSIRAESQQAANTPERGPTAEKIAVSSAERRKSSPSPQPPVAAEAAAATAPAPAARAHRKGATVKHPPRTDEELDDGGGIASSAAEEKTERTYRKDAHGNATAAPSTLTARTSTATRSSRPIVVVANNEDESEQEGNDGEDTIFFGSDVVDATRSDGDARQSQLDAPPPPHPSLAASTAAAVEQHLVTSPEVLPTHPLRLLHGGAGGRGGSSSSSSATLDLRGCTTPPPPLLQPAVRGTRKQTSDGNNNGADSPSRQSAESSPEALMADSESKPSSHRWQRQLLAGGTPATQRLREKDALQDGGHRQVGSPPAHAAETVKQLFTEPVRSISATSTPADDSPNGTLIMSHGSEEDGVEEADAPGLHRRQRQHHQHLPPPLDVSSIATHSDSESRWSVGRATEGPPLPPGSATAVTPPPLPSLVPRASSAGGAQLFHRHHRHNSGGVTDDLCRGTSTRLLSTQSSALKDDEASPSLQHKAMASAAQSIPAPAGRLRMGGNTSRQSSPSSSYVWLKRTAGGDAVEASHPAAPTSSAASTLFPAHPPFQQQQQQQQQQQWSSYACPHLSFTSPSSSQLSRLADIDVITEADADAEGGHAATTTTPQRLRLREPPVWRSPQITQLPKSLSVSPVSLRGDSRKGGVKGDAASSLPQPLSQTQPTAHSVSAASSSTGEATQTLAQASANAAGGLQASLHVVPSGPTAAPAVSRPSTQLITKAAATRPIASPGTMWICLDDDDCAGDDSDSEGEGVVGEAKTAAPLHNGSDVPLISVKMEIDAETDAVYTPPEHTAAAAASPSPSGSSHKGGVAVGGEEQTEAPGRLRSRRPSPSKADSGGAGVRVDQSNIPVLSPAQARRRPPAEKSHPIAEILSPTFRPRRRPPDTSADPSHSLGAGSATHQRLASWPASHCYINLDDDTEDEDAEESPPRQRARNAHALDGAVYSAQPMSSASVADVLPALLRASTVTGADARSQLSLPLIIDDDDDEGVPEVGSETHTKESGDQEVRCEGLSPKPPKPKRGTCVEGANEVVANEEDDDDLLKSPQKPHVKDFIFPNRLDPELRPSSPLYRSIHAYQQQYQQQQQRAQGKEEEEHAARHAAAAASPLQEGVNADCRHLPQSAAIPVVIGNTKGAPPDDVAAAGQAGHKRSRAKDAKTGAAAPALPDWGRPADTLLRDFFPTKFTKKSFMEAAKNVMSPMHFLEAGDFWAAFASAEFVGEGSFGLVWRCLTVDGDLVAVKSCPIILRTKANIEDSFSTIREIATMRFLSEMQVPYVLPLHSAFFVHAQEALPPLAQEALEWRQRLRKRAEEAALEVEVRLLARGGNRRASHTGAEEDIEDAPLTLEQQVAVQMERLTAAEGPEEQATRARLQSVRLPRFLSITHDDLTQSDATVFLVMELCD-GDVEGISRS-------DGVAKGMVYCVSSALAAMHELGLLHLDLKPSNILFAYEHGPSQQRLQRFSASGPATDAVKFYLSDFGNCRLVGPDPMDEVQDSYG--TFEYMDLRALRDAVCGRPTDAFSLGATLYELLYG----------RRLYPKCVDPRCRGEEDHSRECFVEAASQPVVLPTVGPPTTAAMVTPVTTIGLNTAAAGHARGPHANGGTGSTSGLICSGPALTPLQYLTLALLRKPWAERMTAEECRRYLVQTFHITQTEDSSP 1BYG Chain:A ((15-276)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GWALNMKELKLLQTIGKGEFGDVMLGDYRG-------NKVAVKCIK-----NDAQAFLAEASVMTQL-RHSNLVQLLGVIV--EEGLYIVTEYMAKGSLVDYLRSRGRSVLGGDCLLKFSLDVCEAMEYLEGNNFVHRDLAARNVLVSEDN--------------------VAKVSDFG------------------LLPVKWTAPEALREKKFSTKSDVWSFGILLWEIYSFGRVPYPRIPLKDVVPRVEKGYKMDAPDGCPPAVYEVMKNCWHLDAAMRPSFLQLREQLEHIKTHEL---------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1BYG.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 : 1089 -36818 -33.81 -162.91 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -33.81 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.276

(partial model without unconserved sides chains): PDB file : Tito_1BYG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1BYG-query.scw PDB file : Tito_Scwrl_1BYG.pdb: