Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MASDFGPRIADLVEVAATRLPEAPALVVTA---DRIAISHRDLARLVDELAGQLT-RSGLLPGDRVALRMGSNAEFVVALLAASRADLVVVPLDPALPITEQRVRSQAAGARVVLIDADGPHDRAEPT--TRWWPLTVNVGGDSGPSGGTLSVHLDAATEPNPATSTPEGLRPDDAMIMFTGGTTGLPKMVPWTHANIASSVRAIITGYRLSPRDATVAVMPLYHGHGLIASLLATLASGGAVSLPARGRFSAHTFWDDIKAVGATWYTAVPTIHQILLERSATEPSGRKPAALRFIRSCSAPLTAQAALALQTEFAAPVVCAFGMTEATHQVTTTQIEGIDQTETPVVSTGLVGRSTGA-QIRIVGSDGLPLPAGAVGEIWLR-----GTTVVRGYLGDPTITAANFTDGWLRTGDLGSLSAAGDLSIRGRIKELINRGGEKISPERVEGVLASHPNVMEAAVFGVPHQLYGEAVAAVIVPRESA-----PPTREELVQFCRERLAAFEIPASFQEASGLPHTAKGSLDRRAVAERFGHSV |
3C5E Chain:A ((54-561)) | -----------------GKRPPSPALWWVNGKGKELMWNFRELSENSQQAANVLSGACGLQRGDRVAVVLPRVPEWWLVILGCIRAGLIFMPGTIQMKSTDILYRLQMSKAKAIVAGDEVIQEVDTVASECPSLRIKLLVSEKS--CDGWLNFKK-LLNEASTTHHCVETGSQEASAIYFTSGTSGLPKMAEHSYSSLGLKAKMDAGWTGLQASDIMWTISDTGWILNILCSLMEPWALGACTFVHLLPKFDPLVILKTLSSYPIKSMMGAPIVYRMLLQQDLS---SYKFPHLQNCVTVGESLLPETLENWRAQTGLDIRESYGQTETGLTCMVSKT--------MKIKPGYMGTAASCYDVQIIDDKGNVLPPGTEGDIGIRVKPIRPIGIFSGYVDNPDKTAANIRGDFWLLGDRGIKDEDGYFQFMGRADDIINSSGYRIGPSEVENALMEHPAVVETAVISSPDPVRGEVVKAFVVLASQFLSHDPEQLTKELQQHVKSVTAPYKYPRKIEFVLNLPKTVTGKIQRAKLRDKEW--- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3C5E.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -280491 for 4197 contacts (-66.8/contact) +
2D Compatibility (PS) -53824 + (NN) -23956 + (LL) 1536
1D Compatibility (HY) -22400 + (ID) 5500
Total energy: -384635.0 ( -91.65 by residue)
QMean score : 0.496
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