Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MMRLSRNLRRCRWLVFTGWLLALVPAVYLAMTQSGNLTGGGFEVAGSQSLLVHDQLDAHYPDRGAPALALVAAPRPDASYQDIDNAVALLRQIASELPGVTEAPNPTQRPPQPDRPYVVSLRLDARNAGTSDVAKKLRDRIGVKGDQSGQTANGKVRLYVIGQGALSAAAAANTKHDIANAERWNLPIILMVLVAVFGSLAAAAIPLALAVCTVVITMGLVFVLSMHTTMSVFVTSTVSMFGIALAVDYSLFILMRYREELRCGRRPPDAVDAAMATSGLAVVLSGMTVIASLTGIYLINTPALRSMATGAILAVAVAMLTSATLTPAVLATFARAAAKRSALVHWSRRPASTQSWFWSRWVGWVMRRPWITALAASTVLLVMAAPATLMVLGNSLLRQFDSSHEIRTGAAAAAQALGPGALGPVQVLVRFDAGGASAPEHSQTIAAIRHRIAQAPNVVSVAPP--RFADDNGSALLSAVLSVDPEDLGARDTITWMRTQLPRVAGAAQVDVGGPTALIKDFDDRVSATQPLVLVFVAVIAFLMLLISIRSVFLAFKGVLMTLLSVAAAYGSLVMVFQWGWARGLGFPALHSIDSTVPPLVLAMTFGLSMDYEIFLLTRIRERFLQ--TGQTRDAVAYGVRTSARTITSAALIMIAVFCGFAFAGMPLVAEIGVACAVAIAVDATVVRLVLVPALMAMFDRWNWWLPRWLAHILPSVDFDRPLPKVDLGDVVVIPDDFAAAIPPSADVRMVLKSAAKLKRLAPDAICVTDPLAFTGCGCDGKALDQVQLAYRNGIARAISWGQRPVHPVTVWRKRLAVALDALQTTTWECGGVQTHRAGPGYRRRSPVETTNVALPTGDRLQIPTGAETLRFKGYLIMSRNSSHDYADFADLVDTMAPETAAAVLAGMDRYYSCQAPGRQWMATQLVGRLADPQPSDLGDQSPGADAQAKWEEVRRRCLSVAVAMLEEAR |
3AQP Chain:A ((252-726)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------VPLKVAEIRAIGPTLGQDAIQAGIRSALIGTLAIFLLIFAYYG-PHLGLVASLGLLYTSALILGLLSGLGATLTL---PGIAGLVLTLGAAVDGNVLSFERIKEELRAGKKLRQAIPEGFRHSTLTIMDVNIAHLLAAAALYQYATGPVRGFAVILAIGVVASVFSNLVFSRHLLERLADRGEIRPPM--W------LV----DPRFNFMGPARYVT-AATLLLAALAAGVVFAKGFNY--SI-----------------DFTGG--TAYTLRAEPN----V------EVETLRRFLEEKGFPGKEAVITQV------YREFLVK--LPPLSD---ERRLELERLFAS---ELKATVLASETVGPAIGEELRRNAVMAVLVGLGLILLYVAFRF-DWTFGVASILAVAHDVAIVAGMYSL---------LGLE-FSIPT----IAALLTIVGYSINDSIVVSDRIRENQKLLRHLPYAELVNRSINQTLSRTVMTSLTTLLPILALLFLGGSVLRDFALAIFVGIFV-GTYSSIYVVSALVVAWKNR---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3AQP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -451122 for 4128 contacts (-109.3/contact) +
2D Compatibility (PS) -49232 + (NN) -13180 + (LL) 30252
1D Compatibility (HY) -21200 + (ID) 3400
Total energy: -507882.0 ( -123.03 by residue)
QMean score : 0.301
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