Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MASDFGPRIADLVEVAATRLPEAPALVVTADRIAISHRDLARLVDELAGQLTRSGLLPGDRVALRMGSNAEFVVALLAASRADLVVVPLDPALPITEQRVRSQAAGARVVLIDA------DGPHDRAEP---TTRWWPLTVNVGGDSGPSGGTLSVHLDAATEPNPATSTPEGLRPDDAMIMFTGGTTGLPKMVPWTHANIASSVRAIITGYRLSPRDATVAVMPLYHGHGLIASLLATLASGGAVSLPARGRFSAHTFWDDIKAVGATWYTAVPTIHQILLERSATEPSGRKPAALRFIRSCSAPLTAQAALALQTEFAAPVVCAFGMTEATHQVTTTQIEGIDQTETPVVSTGLVGRST-GAQIRIVGSDGLPLPAGAVGEIWLRGTTVVRGYLGDPTITAANFTDGWLRTGDLGSLSAAGDLSIRGRIKELINRGGEKISPERVEGVLASHPNVMEAAVFGVPHQLYGEAVAAVIVPRESAPPTREELVQFCRERLAAFEIPASFQEASGLPHTAKGSLDRRAVAERFGHSV |
| 3R44 Chain:A ((26-515)) | ----------------ATVSPRLQAYVEPSTDVRMTYAQMNALANRCADVLTALGIAKGDRVALLMPNSVEFCCLFYGAAKLGAVAVPINTRLAAPEVSFILSDSGSKVVIYGAPSAPVIDAIRAQADPPGTVTDW------IGADS------LAERLRSAAADEPAV---ECGGDDNLFIMYTS---GHPKGVVHTHESVHSAASSWASTIDVRYRDRLLLPLPMFHVAALTTVIFSAMRGVTLISMP---QFDATKVWSLIVEERVCIGGAVPAILNFM--RQVPEFAELDAPDFRYFITGGAPM-PEALIKIYAAKNIEVVQGYALTESCGGGTLLL------SEDALRKAGSAGRATMFTDVAVRGDDGVIREHGE-GEVVIKSDILLKEYWNRPEATRDAFDNGWFRTGDIGEIDDEGYLYIKDRLKDMIISGGENVYPAEIESVIIGVPGVSEVAVIGLPDEKWGEIAAAIVVADQNE-VSEQQIVEYCGTRLARYKLPKKVIFAEAIPRNPTGKILKTVLREQYSATV |
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General information:
TITO was launched using:
| RESULT:
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Template: 3R44.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -270674 for 4131 contacts (-65.5/contact) +
2D Compatibility (PS) -51094 + (NN) -23002 + (LL) 1628
1D Compatibility (HY) -33200 + (ID) 6850
Total energy: -383192.0 ( -92.76 by residue)
QMean score : 0.441
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