Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQPPPDEARRDMAGDTQWSRPECQAWTGTLLLGTCLLYCARSSMPICTVSMSQDFGWNKKEAGIVLSSFFWGYCLTQVVGGHLGDRIGGEKVILLSASAWGSITAVTPLLAHLSSAHLAFMTFSRILMGLLQGVYFPALTSLLSQKVRESERAFTYSIVGAGSQFGTLLTGAVGSLLLEWYGWQSIFYFSGGLTLLWVWYV----------------------YRYLLSEKDL------ILALGVLAQSRPVSRHNRVP---------WRRLFR-KPAVWAAVVSQLSAAC------SFFILLSWLPTFFEETFPDAKG--WIFNVVPWLVAIPASLFSGFLSDHLI---NQGYRAITVRKLMQGMGLGLSSVFALCLGHTSSFCESVVFASASIGLQTFNHSGISVNIQDLAPSCAGFLFGVANTAGALAGVVGVCLGGYLMETTGSWTCLF----NLVAIISNLGLCTFLVFGQAQRVDLSSTHEDL |
3WDO Chain:A ((1-453)) | --------------DYKMTPGERRATWGLGTVFSLRMLGMFMVLPVLTTYGMALQGASEALIGIAIGIYGLTQAVFQIPFGLLSDRIGRKPLIVGGLAVFAAGSVIAAL-----SDSIWGIILGRALQGS--GAIAAAVMALLSDLTREQNRTKAMAFIGVSFGITFAIAMVLGPIITHKLGLHALFWMIAILATTGIALTIWVVPNSSTHVLNRESGMVKGSFSKVLAEPRLLKLNFGIMCLHMLLMSTFVALPGQLADAGFPAAEHWKVYLATMLIAFGSVVPFIIYAEVKRKMKQVFVFCVGLIVVAEIVLWNAQTQFWQLVVGVQLFFVAFNLMEALLPSLISKESPAGYKGTAMGVYSTSQFLGVAIGGSLGGWIDGMFDGQGVFLAGAMLAAVWLAVASTMK---EPPYVSSLRIEIPADIAA-----NEALKVRLLETEGVKEVLIAEEEHSAYVKIDSKVTNRFEVEQAIRQAL------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3WDO.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -307083 for 3368 contacts (-91.2/contact) +
2D Compatibility (PS) -40858 + (NN) -3542 + (LL) 2216
1D Compatibility (HY) -17600 + (ID) 3800
Total energy: -370667.0 ( -110.06 by residue)
QMean score : 0.175
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