Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MYPKEEHSAGGISSSVNYLDGAYEYPNPTQTFGTSSPAEPASVGYYPAPPDPHEEHLQTLGGGSSSPLMFAPSSPQLSPYLSHHGGHHTTPHQVSYYLDSSSSTVYRSSVVSSQQAAVGLCEELCSATDRQELYTGSRAAGGFDSGKETRFCAVCSDYASGYHYGVWSCEGCKAFFKRSIQGHNDYVCPATNQCTIDRNRRKSCQACRLRKCYEVGMMKGGIRKDRGGRSVRRERRRSSNEDRDKSSSDQCSRAGVRTTGPQDKRKKRSGGVVSTLCMSPDQVLLLLLGAEPPAVCSRQKHSRPYTEITMMSLLTNMADKELVHMIAWAKKVPGFQDLSLHDQVQLLESSWLEVLMIGLIWRSIHSPGKLIFAQDLILDRSEGECVEGMAEIFDMLLATVARFRSLKLKLEEFVCLKAIILINSGAFSFCSSPVEPLMDNFMVQCMLDNITDALIYCISKSGASLQLQSRRQAQLLLLLSHIRHMSNKGMEHLYRMKCKNRVPLYDLLLEMLDAQRFQSSGKVQRVWSQSEKNPPSTPTTSSSSSNNSPRGGAAAIQSNGACHSHSPDP |
4IWF Chain:A ((6-246)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTF--------EEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLSDLLLEMLDAHR----------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4IWF.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -175239 for 1803 contacts (-97.2/contact) +
2D Compatibility (PS) -25699 + (NN) -24640 + (LL) 10084
1D Compatibility (HY) -31200 + (ID) 7500
Total energy: -254194.0 ( -140.98 by residue)
QMean score : 0.576
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