Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPPKKRKAVGSKRDATTATAAAAATAAKTRQRKTAGTKTAAASKKSTFKPAPKKRAAQLPCTSPAARMASKAATRKANIVKVTAASATKTKAAPAQKPSSSSSSHTSIRAESQQAANTPERGPTAEKIAVSSAERRKSSPSPQPPVAAEAAAATAPAPAARAHRKGATVKHPPRTDEELDDGGGIASSAAEEKTERTYRKDAHGNATAAPSTLTARTSTATRSSRPIVVVANNEDESEQEGNDGEDTIFFGSDVVDATRSDGDARQSQLDAPPPPHPSLAASTAAAVEQHLVTSPEVLPTHPLRLLHGGAGGRGGSSSSSSATLDLRGCTTPPPPLLQPAVRGTRKQTSDGNNNGADSPSRQSAESSPEALMADSESKPSSHRWQRQLLAGGTPATQRLREKDALQDGGHRQVGSPPAHAAETVKQLFTEPVRSISATSTPADDSPNGTLIMSHGSEEDGVEEADAPGLHRRQRQHHQHLPPPLDVSSIATHSDSESRWSVGRATEGPPLPPGSATAVTPPPLPSLVPRASSAGGAQLFHRHHRHNSGGVTDDLCRGTSTRLLSTQSSALKDDEASPSLQHKAMASAAQSIPAPAGRLRMGGNTSRQSSPSSSYVWLKRTAGGDAVEASHPAAPTSSAASTLFPAHPPFQQQQQQQQQQQWSSYACPHLSFTSPSSSQLSRLADIDVITEADADAEGGHAATTTTPQRLRLREPPVWRSPQITQLPKSLSVSPVSLRGDSRKGGVKGDAASSLPQPLSQTQPTAHSVSAASSSTGEATQTLAQASANAAGGLQASLHVVPSGPTAAPAVSRPSTQLITKAAATRPIASPGTMWICLDDDDCAGDDSDSEGEGVVGEAKTAAPLHNGSDVPLISVKMEIDAETDAVYTPPEHTAAAAASPSPSGSSHKGGVAVGGEEQTEAPGRLRSRRPSPSKADSGGAGVRVDQSNIPVLSPAQARRRPPAEKSHPIAEILSPTFRPRRRPPDTSADPSHSLGAGSATHQRLASWPASHCYINLDDDTEDEDAEESPPRQRARNAHALDGAVYSAQPMSSASVADVLPALLRASTVTGADARSQLSLPLIIDDDDDEGVPEVGSETHTKESGDQEVRCEGLSPKPPKPKRGTCVEGANEVVANEEDDDDLLKSPQKPHVKDFIFPNRLDPELRPSSPLYRSIHAYQQQYQQQQQRAQGKEEEEHAARHAAAAASPLQEGVNADCRHLPQSAAIPVVIGNTKGAPPDDVAAAGQAGHKRSRAKDAKTGAAAPALPDWGRPADTLLRDFFPTKFTKKSFMEAAKNVMSPMHFLEAGDFWAAFASAEFVGEGSFGLVWRCLT-VDGDLVAVKSCPIILRTKANIEDSFSTIREIATMRFLSEMQVPYVLPLHSAFFVHAQEALPPLAQEALEWRQRLRKRAEEAALEVEVRLLARGGNRRASHTGAEEDIEDAPLTLEQQVAVQMERLTAAEGPEEQATRARLQSVRLPRFLSITHDDLTQSDATVFLVMELCDG-DVEGISR-----SDGVAKGMVYCVSSALAAMHELGLLHLDLKPSNILFAYEHGPSQQRLQRFSASGPATDAVKFYLSDFGNCRLVGPDPMDEVQDSYGTFEYMDLRALRDAVCGRPTDAFSLGATLYELLYGRRLYPKCVDPRCRGEEDHSRECFVEAASQPVVLPTVGPPTTAAMVTPVTTIGLNTAAAGHARGPHANGGTGSTSGLICSGPALTPLQYLTLALLRKPWAERMTAEECRRYLVQTFHITQTEDSSP 4NIF Chain:A ((6-264)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------FSDGYVVKETIGVGSYSECKRCVHKATNMEYAVKVIDKSK---------RDPSEEIEILLRY--GQHPNIITLKDVYDD---------------------------------------------------------------------------------------------------------GKHVYLVTELMRGGELLDKILRQKFFSEREASFVLHTIGKTVEYLHSQGVVHRDLKPSNILYVDESG----------------NPECLRICDFGFAKQLRAEN-GLLMTPCY---FVAPEVLKRQGYDEGCDIWSLGILLYTMLAGYTPFANGPSD-------TPEEILTRIGSGKFTLSG-----------------------------------------GNWNTVSETAKDLVSKMLHVDPHQRLTAKQVLQH---------------

General information: TITO was launched using: RESULT: Template: 4NIF.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 : 1099 -23898 -21.74 -95.97 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -21.74 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.418

(partial model without unconserved sides chains): PDB file : Tito_4NIF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NIF-query.scw PDB file : Tito_Scwrl_4NIF.pdb: