Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSISEVQHQLNLTSYLNQQATVSVFLGVKEIQIDQVQQLATHTYKLTFKNSNKKIILHTKSSNAQVTGNQLEKDYMIAQKLSAANMPVPKALFYCGDQSIVGVPFYATEYVEGRLFNDKKLLSVSQTEKKLLFQEVSKALAHLHSISLNYLGLGELESQTSQYQTLNKKLYNLYKLHETKISTNVEDLLYWLSLNSPVKSELDNLCLVHGDFSLSKVVFHPTEPKVLAILDWQQAQLGNAFIDLASFVSPYYIPYSNGQHQIDGWFGIEEIIAQPNLQEVLSAYFTTRSSETTQDINYQLVISLLKQSIDQQILYKQTKEEKYQDNSHFISKAGYELLLRTTEGDPFGIKLRANNDGQLWSNWPVSQRCKSYYYRIKDFMKDEIFPVEKAILDKARAVPRTVKNKPIVEIEELQRKAKAVGLWNLFISDPMYGKGLTNLEYVYLSELMGLS-Y-LAHEVFNCFAPETGNIKLLIAYGTPHQKEKYLKPLLEGQCKSFFAMTEKDVPSSDPNNFQCTITPTEGGFILNGGKWFVSSAPDERAIFGIVMGKSSKDMSNPIESQSMILVDMN---------NPKIKIVRQYSVLGFFDVPHGYSEVEFDNAFIPQENLLG-QLGGAFKMAQGRLLGGRLHHCVRQIGLTRRCLDLMMARSEKRIIFKQSLKDNAAFQERLGDLEIAFQSCRLLSLNAGLLLDSAGSRHLHTFMAVSECKAHIPKACQYIIDQCIQAFGAEGVTEEQPLTLAYRFARAIRFMDGPCEIHLRQISRFAYGNHLFNDLNNAQGYGLAKL 6ES9 Chain:A ((165-551)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TGLDEDLEMIRDQFRRYAEERVIPNAHEWHLKD-----------QLIPMEIIEELAELGVFGLTIPEEFGGLGLSKASMVVVTEELSRGYIGVG-SLG---TRSEIAAELILCGGTEAQKAKWLPGLASGEILSTAVFTEPN-TGSDLGSLRTRAVRDGEDWVVTGNKTWITHAQR--THVMTLLARTDPET-TDWRGLSMFLAEKEPGTDDDPFPTPGMTG-GEIEVLGYRG--MKEYELGFDGFRIKGENLLGGEPGRGFKQLMETFESARIQTAARAVGVAQSAAEIGMRYAVDRKQFGKSLIEFPRVADKLAMMAVEIMIARQLTYFSAWEKDHGRR-C--D-LEAGMAKLLGARVAWAAADNALQIHGGNGFALEYAISRVLCDARILNIFEGAAEIQAQVIARRLLD------------------

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 : 2145 -51639 -24.07 -137.70 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -24.07 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.219

(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: