Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPPKKRKAVGSKRDATTATAAAAATAAKTRQRKTAGTKTAAASKKSTFKPAPKKRAAQLPCTSPAARMASKAATRKANIVKVTAASATKTKAAPAQKPSSSSSSHTSIRAESQQAANTPERGPTAEKIAVSSAERRKSSPSPQPPVAAEAAAATAPAPAARAHRKGATVKHPPRTDEELDDGGGIASSAAEEKTERTYRKDAHGNATAAPSTLTARTSTATRSSRPIVVVANNEDESEQEGNDGEDTIFFGSDVVDATRSDGDARQSQLDAPPPPHPSLAASTAAAVEQHLVTSPEVLPTHPLRLLHGGAGGRGGSSSSSSATLDLRGCTTPPPPLLQPAVRGTRKQTSDGNNNGADSPSRQSAESSPEALMADSESKPSSHRWQRQLLAGGTPATQRLREKDALQDGGHRQVGSPPAHAAETVKQLFTEPVRSISATSTPADDSPNGTLIMSHGSEEDGVEEADAPGLHRRQRQHHQHLPPPLDVSSIATHSDSESRWSVGRATEGPPLPPGSATAVTPPPLPSLVPRASSAGGAQLFHRHHRHNSGGVTDDLCRGTSTRLLSTQSSALKDDEASPSLQHKAMASAAQSIPAPAGRLRMGGNTSRQSSPSSSYVWLKRTAGGDAVEASHPAAPTSSAASTLFPAHPPFQQQQQQQQQQQWSSYACPHLSFTSPSSSQLSRLADIDVITEADADAEGGHAATTTTPQRLRLREPPVWRSPQITQLPKSLSVSPVSLRGDSRKGGVKGDAASSLPQPLSQTQPTAHSVSAASSSTGEATQTLAQASANAAGGLQASLHVVPSGPTAAPAVSRPSTQLITKAAATRPIASPGTMWICLDDDDCAGDDSDSEGEGVVGEAKTAAPLHNGSDVPLISVKMEIDAETDAVYTPPEHTAAAAASPSPSGSSHKGGVAVGGEEQTEAPGRLRSRRPSPSKADSGGAGVRVDQSNIPVLSPAQARRRPPAEKSHPIAEILSPTFRPRRRPPDTSADPSHSLGAGSATHQRLASWPASHCYINLDDDTEDEDAEESPPRQRARNAHALDGAVYSAQPMSSASVADVLPALLRASTVTGADARSQLSLPLIIDDDDDEGVPEVGSETHTKESGDQEVRCEGLSPKPPKPKRGTCVEGANEVVANEEDDDDLLKSPQKPHVKDFIFPNRLDPELRPSSPLYRSIHAYQQQYQQQQQRAQGKEEEEHAARHAAAAASPLQEGVNADCRHLPQSAAIPVVIGNTKGAPPDDVAAAGQAGHKRSRAKDAKTGAAAPALPDWGRPADTLLRDFFPTKFTKKSFMEAAKNVMSPMHFLEAGDFWAAFASAEFVGEGSFGLVWRCLTV-DGDLVAVKSCPIILRTKA-NIEDSFSTIREIATMRFLSEMQVPYVLPLHSAFFVHAQEALPPLAQEALEWRQRLRKRAEEAALEVEVRLLARGGNRRASHTGAEEDIEDAPLTLEQQVAVQMERLTAAEGPEEQATRARLQSVRLPRFLSITHDDLTQSDATVFLVMELCDG-DVEGISR-----SDGVAKGMVYCVSSALAAMHELGLLHLDLKPSNILFAYEHGPSQQRLQRFSASGPATDAVKFYLSDFGNCRLVGPDPMDEVQDSYGTFEYMDLRALRDAVCGRPTDAFSLGATLYELLYGRRLYPKCVDPRCRGEEDHSRECFVEAASQPVVLPTVGPPTTAAMVTPVTTIGLNTAAAGHARGPHANGGTGSTSGLICSGPALTPLQYLTLALLRKPWAERMTAEECRRYLVQTFHITQTEDSSP 2X0G Chain:A ((4-272)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------FRQENVDDYYDTGEELGSGQFAVVKKCREKSTGLQYAAKFIKKRRTKSSRRGVSREDIEREVSILKE---IQHPNVITLHEVYEN---------------------------------------------------------------------------------------------------------KTDVILILELVAGGELFDFLAEKESLTEEEATEFLKQILNGVYYLHSLQIAHFDLKPENIMLLDRNV----------------PKPRIKIIDFGLAHKIDFGN--EFKNIFGTPEFVAPEIVNYEPLGLEADMWSIGVITYILLSGASPFLGDTKQ----------ETLANVSAVNYEFED-----------------------------------------EYFSNTSALAKDFIRRLLVKDPKKRMTIQDSLQH---------------

General information: TITO was launched using: RESULT: Template: 2X0G.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 : 1229 -32754 -26.65 -125.49 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -26.65 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.400

(partial model without unconserved sides chains): PDB file : Tito_2X0G.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2X0G-query.scw PDB file : Tito_Scwrl_2X0G.pdb: