Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MYPKEEHSAGGISSSVNYLDGAYEYPNPTQTFGTSSPAEPASVGYYPAPPDPHEEHLQTLGGGSSSPLMFAPSSPQLSPYLSHHGGHHTTPHQVSYYLDSSSSTVYRSSVVSSQQAAVGLCEELCSATDRQELYTGSRAAGGFDSGKETRFCAVCSDYASGYHYGVWSCEGCKAFFKRSIQGHNDYVCPATNQCTIDRNRRKSCQACRLRKCYEVGMMKGGIRKDRGGRSVRRERRRSSNEDRDKSSSDQCSRAGVRTTGPQDKRKKRSGGVVSTLCMSPDQVLLLLLGAEPPAVCSRQKHSRPYTEITMMSLLTNMADKELVHMIAWAKKVPGFQDLSLHDQVQLLESSWLEVLMIGLIWRSIHSPGKLIFAQDLILDRSEGECVEGMAEIFDMLLATVARFRSLKLKLEEFVCLKAIILINSGAFSFCSSPVEPLMDNFMVQCMLDNITDALIYCISKSGASLQLQSRRQAQLLLLLSHIRHMSNKGMEHLYRMKCKNRVPLYDLLLEMLDAQRFQSSGKVQRVWSQSEKNPPSTPTTSSSSSNNSPRGGAAAIQSNGACHSHSPDP |
2QGW Chain:B ((9-253)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYT---STLKSLEEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLSDLLLEMLDAHRL---------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2QGW.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -177440 for 1867 contacts (-95.0/contact) +
2D Compatibility (PS) -26622 + (NN) -24766 + (LL) 9704
1D Compatibility (HY) -31600 + (ID) 7550
Total energy: -258274.0 ( -138.34 by residue)
QMean score : 0.569
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