Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRYTKSEEAMKVAETLMPGGVNSPV---RAFKSVDTPAIFMDHGKGSKIYDIDGNEYIDYVLSWGPLILGHRDPQVISHLHEAIDKGTSFGASTLLENKLAQLVIDRVPSIEKVRMVSSGTEATLDTLRLARGYTGRNKIVKFEGCYHGHSDSLLIKAGSGVATLGLPDSPGVPEGIAKNTITVPYNDLDALKIAFEKFGDDIAGVIVEPVAGNMGVVPPIEGFLQGLRDITTEYGALLIFDEVMTGFRVGYHCAQGYFGVTPDLTCLGKVIGGGLPVGAFGGKKEIMDHIAPL--GNIYQAGTLSGNPLAMTSGYETLSQL-TPETYEYFNMLGDILEDGLKRVFAKHNVPITVNRAGSMIGYFLNEGPVTNFEQANKSDLKLFAEMYREMAKEGVFLPPSQFEGTFLSTAHTKEDIEKTIQAFDTALSRIVK |
2YKY Chain:B ((64-457)) | ------------ARRSMPGGNTRSILFHRPFPLV------IAQGTGSRFQDVDGHAYVNFLGEYTAGLFGHSHPVIRAAVERALAVGLNLSTQTENEALFAEAVCDRFPSIDLVRFTNSGTEANLMALATATAITGRKTVLAFDGGYHGG----LLNFASGHA----------PTNAPYHVVLGVYNDVEGTADLLKRHGHDCAAILVEPMLGAGGCVPAERAFLDLLRAEASRCGALLIFDEVMTS-RLSGGGAQEMLGISADLTTLGKYIGGGMSFGAFGGRRDLMERFDPARDGAFAHAGTFNNNILTMSAGHAALTQIYTRQAASDLSASGDRFRANLNRIAVENQAPLQFTGLGSLGTIHFSRAPIRSAGDVRAADQQLKELFFFHMLRKGIYLAPRGMYALSLEIADAGRD------AFAEALADFI- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2YKY.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -167571 for 3377 contacts (-49.6/contact) +
2D Compatibility (PS) -42654 + (NN) -21497 + (LL) 2476
1D Compatibility (HY) -23200 + (ID) 6650
Total energy: -259096.0 ( -76.72 by residue)
QMean score : 0.502
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