Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSWDFETDPEFAQQLEWIDQFVRDEIEPVDLLVTNYGFDLSDPVRQALIPPLQQMVHERNLWACHLGPNLGGKGYGQVKLALMNEILGRS--QCAPIVFGCQAPDSGNAEILAHYGSERLKETYLRPLVAGEVVSCYSMTEPEGGSDPTQFRTSAVPDGDEWVINGTKWYSSHSRFASFIIVLAVTDPDAEPHRRMSMFVVPAD---------APGLETIRNVALFGHERHDGGHGYLRYNNVRVPADHLLG-KRGDGFVVSQTRLGGGRIHHAMRTVGLVRKALDMMCERVLSRYTQGERLADKQMVQEMLADSWTQLEQFRLLVLQTAWKIDKYDDYRKVRKDIAAVKATMPKVLNDVAGRALQLHGSLGTSDEMPFGDWIME-SYRMGLADGATEIHKITVAKQLLRGRTPAPGLFPTGHLPALRAAAEAKFADRLAAVRGSHGSSGPSAAVAPSTAAETPVTDDAPRPDDMPEIADVRPGEELDWDRLVTYLSTALGVAAGAWSVKQFPNGSANLTYLVHVNDELSVVVRRPPLGTIAAGAHDMSREHRVLSRLPNAYPRAPRSLLVCEDPSIIGAPFDVMEYRPGVVVWRSIPEVLQVGDNVGHRIGLAVADALADLHTVDPASCDLADLGRPVGFLERQMAGWQKRWAAVASEAEAALMEEAATRLGRNVPTNPVHSLLHNDYQLTNVQFAAGDPDRVYSVFDWDMATLGDPLADLGSLLNYWPDPSDTAQSAGLYLPEQATIGLPTRAEMAERYAARSGFGLDNLGWYEAFAAYRVTVILQQLAARYQRGESTDPRMAERAQLVHPMAVRALDLLDHHGVK 6ES9 Chain:A ((166-551)) -----GLDEDLEMIRDQFRRYAEERVIPNAHEWHLK--------DQLIPMEIIEELAELGVFGLTIPEEFGGLGLSKASMVVVTEELSRGYIGVGSLGT-RS---EIAAELILCGGTEAQKAKWLPGLASGEILSTAVFTEPNTGSDLGSLRTRAVRDGEDWVVTGNKTWITHAQRTHVMTLLARTDPETTDWRGLSMFLAEKEPGTDDDPFPTPGMTG-GEIEVLGYR--GMKEYELGFDGFRIKGENLLGGEPGRGFKQLMETFESARIQTAARAVGVAQSAAEIGMRYAVDRKQFGKSLIEFPRVADKLAMMAVEIMIARQLTYFSAWEKDHGR---RCDLEAGMAKLLGARVAWAAADNALQIHGGNGFALEYAI-SRVLCDARILNIFEGAAEIQAQVIARRLLD----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 6ES9.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 : 2130 -41244 -19.36 -110.57 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -19.36 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.247

(partial model without unconserved sides chains): PDB file : Tito_6ES9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-6es9-query.scw PDB file : Tito_Scwrl_6ES9.pdb: