Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MGVCQRTRAPWKEKSQLERAALGFRKGGSGMFASGWNQTVPIEEAGSMAALLLLPLLLLLPLLLLKLHLWPQLRWLPADLAFAVRALCCKRALRARALAAAAADPEGPEGGCSLAWRLAELAQQRAAHTFLIHGSRRFSYSEAERESNRAARAFLRALGWDWGPDGGDSGEGSAGEGERAAPGAGDAAAGSGAEFAGGDGAARGGGAAAPLSPGATVALLLPAGPEFLWLWFGLAKAGLRTAFVPTALRRGPLLHCLRSCGARALVLAPEFLESLEPDLPALRAMGLHLWAAGPGTHPAGISDLLAEVSAEVDGPVPGYLSSPQSITDTCLYIFTSGTTGLPKAARISHLKILQCQGFYQLC-GVHQEDVIYLALPLYHMSGSLLGIVGCMGIGATVVLKSKFSAGQFWEDCQQHRVTVFQYIGELCRYLVNQPPSKAERGHKVRLA--VGSGLRPDTWERFVRRFGPLQVLETYGLTEGNVATINYTG-----QRGAVGRASWLYKHIFPFSLIRYDVTTGEPIRDPQGHCMATSPGEPGLLVAPVSQQSPFLGYAGGPELAQGKLLKDVFRPGDVFFNTGDLLVCDDQGFLRFHDRTGDTFRWKGENVATTEVAEVFEALDFLQEVNVYGVTVPGHEGRAGMAALVLRPPHALDLMQLYTHVSENLPPYARPRFLRLQESLATTETFKQQKVRMANEGFDPSTLSDPLYVLDQAVGAYLPLTTARYSALLAGNLRI |
| 3R44 Chain:A ((18-513)) | -----------------------------------------------------------------------------------------------------------------------------------------IGWMLRQRATVSPRL---QAYVEPST-------DVRMTYAQMNALA-NRCADVLT---------------ALGIAKGDRVALLMPNSVEFCCLFYGAAKLGAVAVPINTRLAAPEVSFILSDSGSKVVIYGAPSAPVIDAIRAQADP-PGTVTDWI------GADSLAERLRSA----AADEPAVECGGDDNLFIMYTS---GHPKGVVHTHESVHSAASSWASTIDVRYRDRLLLPLPMFHVAAL-TTVIFSAMRGVTLISMPQFDATKVWSLIVEERVCIGGAVPAILNFMRQVPEFAELDAPDFRYFITGGAPMPEALIKIYAAK--NIEVVQGYALTESCGGGTLLLSEDALRKAGSAGRA-------TMFTDVAVRGDDG----------VIR-EHGEGEVVIK--SDILLKEYWNRPEATRDAF-------DNGWFRTGDIGEIDDEGYLYIKDRLKDMIISGGENVYPAEIESVIIGVPGVSEVAVIGLPDEK-WGEI-AAAIVVADQNEVSEQQIVEYCGTRLARYKLPKKVIFAEAIPRNPTGKILKTVLREQYSATVP--------------------------------- |
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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) -281172 for 4247 contacts (-66.2/contact) +
2D Compatibility (PS) -51430 + (NN) -19450 + (LL) 14040
1D Compatibility (HY) -18800 + (ID) 4800
Total energy: -361612.0 ( -85.15 by residue)
QMean score : 0.380
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