Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPPKKRKAVGSKRDATTATAAAAATAAKTRQRKTAGTKTAAASKKSTFKPAPKKRAAQLPCTSPAARMASKAATRKANIVKVTAASATKTKAAPAQKPSSSSSSHTSIRAESQQAANTPERGPTAEKIAVSSAERRKSSPSPQPPVAAEAAAATAPAPAARAHRKGATVKHPPRTDEELDDGGGIASSAAEEKTERTYRKDAHGNATAAPSTLTARTSTATRSSRPIVVVANNEDESEQEGNDGEDTIFFGSDVVDATRSDGDARQSQLDAPPPPHPSLAASTAAAVEQHLVTSPEVLPTHPLRLLHGGAGGRGGSSSSSSATLDLRGCTTPPPPLLQPAVRGTRKQTSDGNNNGADSPSRQSAESSPEALMADSESKPSSHRWQRQLLAGGTPATQRLREKDALQDGGHRQVGSPPAHAAETVKQLFTEPVRSISATSTPADDSPNGTLIMSHGSEEDGVEEADAPGLHRRQRQHHQHLPPPLDVSSIATHSDSESRWSVGRATEGPPLPPGSATAVTPPPLPSLVPRASSAGGAQLFHRHHRHNSGGVTDDLCRGTSTRLLSTQSSALKDDEASPSLQHKAMASAAQSIPAPAGRLRMGGNTSRQSSPSSSYVWLKRTAGGDAVEASHPAAPTSSAASTLFPAHPPFQQQQQQQQQQQWSSYACPHLSFTSPSSSQLSRLADIDVITEADADAEGGHAATTTTPQRLRLREPPVWRSPQITQLPKSLSVSPVSLRGDSRKGGVKGDAASSLPQPLSQTQPTAHSVSAASSSTGEATQTLAQASANAAGGLQASLHVVPSGPTAAPAVSRPSTQLITKAAATRPIASPGTMWICLDDDDCAGDDSDSEGEGVVGEAKTAAPLHNGSDVPLISVKMEIDAETDAVYTPPEHTAAAAASPSPSGSSHKGGVAVGGEEQTEAPGRLRSRRPSPSKADSGGAGVRVDQSNIPVLSPAQARRRPPAEKSHPIAEILSPTFRPRRRPPDTSADPSHSLGAGSATHQRLASWPASHCYINLDDDTEDEDAEESPPRQRARNAHALDGAVYSAQPMSSASVADVLPALLRASTVTGADARSQLSLPLIIDDDDDEGVPEVGSETHTKESGDQEVRCEGLSPKPPKPKRGTCVEGANEVVANEEDDDDLLKSPQKPHVKDFIFPNRLDPELRPSSPLYRSIHAYQQQYQQQQQRAQGKEEEEHAARHAAAAASPLQEGVNADCRHLPQSAAIPVVIGNTKGAPPDDVAAAGQAGHKRSRAKDAKTGAAAPALPDWGRPADTLLRDFFPTKFTKKSFMEAAKNVMSPMHFLEAGDFWAAFASAEFVGEGSFGLVWRCLTV-DGDLVAVKSCPIILRTKANIEDSFSTIREIATMRFLSEMQVPYVLPLHSAFFVHAQEALPPLAQEALEWRQRLRKRAEEAALEVEVRLLARGGNRRASHTGAEEDIEDAPLTLEQQVAVQMERLTAAEGPEEQATRARLQSVRLPRFLSITHDDLTQSDATVFLVMELCDG-DVEGISR----SDGVAKGMVYCVSSALAAMHELGLLHLDLKPSNILFAYEHGPSQQRLQRFSASGPATDAVKFYLSDFGNCRLVGPDPMDEVQDSYGTFEYMDLRALRDAVCGRPTDAFSLGATLYELLYGRRLYPKCVDPRCRGEEDHSRECFVEAASQPVVLPTVGPPTTAAMVTPVTTIGLNTAAAGHARGPHANGGTGSTSGLICSGPALTPLQYLTLALLRKPWAERMTAEECRRYLVQTFHITQTEDSSP 4XBR Chain:A ((90-344)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GDPRSYLDNFIKIGEGSTGIVCIATVRSSGKLVAVKKMDLRKQ-----QRRELLFNEVVIMRD---YQHENVVEMYNSYLV---------------------------------------------------------------------------------------------------------GDELWVVMEFLEGGALTDIVTHTRMNEEQIAAVCLAVLQALSVLHAQGVIHRDIKSDSILLTHDG--------------------RVKLSDFGFCAQVSKEVP-RRKSLVGTPYWMAPELISRLPYGPEVDIWSLGIMVIEMVDGEPPYFNEPPLK-----------AMKMIRDN--LPPR---------------------------------------LKNLHKVSPSLKGFLDRLLVRDPAQRATAAELLKH---------------

General information: TITO was launched using: RESULT: Template: 4XBR.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 : 1228 -55540 -45.23 -223.05 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -45.23 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.373

(partial model without unconserved sides chains): PDB file : Tito_4XBR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XBR-query.scw PDB file : Tito_Scwrl_4XBR.pdb: