Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLLSLEPRGRQSRWMLLASPLLAGLLTLVCGALLFACLGHDPWQT-------------LHTVLVQPLSDLYGLGELLVKA--------MPILLCALG----------LALAYQARVWNIGAE---GQLLVGALAGSAVAIQLLDW--QSRWALAWVLLAGTAAGALWAGFAAWLRTRFNANEIL-----------TTIMLNYIALNLLLYGVHG-------------PLKDPDGFNFPQSALFGEASRLPALFEDSRVHLGALFG-------LLALAAVWVLAQRSFLGFQVRVLGLDRRAAGFVGFREKRLVWFVLLFSGALAGLAGVCEVAGPIGQLVPQVSPGYGYAAITVAFLGRLNPFGILCASLLMALLYLGGEAAQMSLNLPLALSGLFQGMM--LFFLLACDVLILYRPRLHGRWRKRPALRDALA---------- |
1KPL Chain:A ((31-460)) | ----------TPLAILFMAAVVGTLTGLVGVAFEKAVSWVQNMRIGALVQVADHAFLLWPLAFILSALLAMVGYFLVRKFAPEAGGSGIPEIEGALEELRPVRWWRVLPVKFIGGMGTLGAGMVLGREGPTVQIGGNLGRMVLDVFRMRSAEARHTLLATGAAAGLSAAFNAPLAGILFIIEEMRPQFRYNLISIKAVFTGVIMSSIVFRIFNGEAPIIEVGKLSDAPVNTLWLYLILGIIFGVVGPVFNSLVLRTQDMFQRFHGGEIKKWVLMGGAIGGLCGILGLIEPAAAGGGFNLIPIAAAGNFSVGLLLFIFITRVVTTLLCFSSGAPGGI--FAPMLALGTLLGTAFGMAAAVLFPQYHL-EAGTFAIAGMGALMAAS-VRAPLTGIVLVLEMTDNYQLILPMIITCLGATLLAQFLGGKPLYSTILARTLAKQDAEQ |
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General information:
TITO was launched using:
| RESULT:
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Template: 1KPL.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -373372 for 3331 contacts (-112.1/contact) +
2D Compatibility (PS) -37229 + (NN) -22321 + (LL) 676
1D Compatibility (HY) -10800 + (ID) 3050
Total energy: -446096.0 ( -133.92 by residue)
QMean score : 0.401
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