Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSEYPEGDSPLLQLQEVDSGRVGGHILSPIFNSSSPSLPVENHPICIPSPYTDLGHDFSTLPFYSPALLGYSTSPLSDCSSVRQSLSPTLFWPPHSHVSSLTLQQQSRLQQNHATSGTWTEHTPHDHVEEENSKPLVKRVADTEETSVSLRGKADMHYCAVCSDYASGYHYGVWSCEGCKAFFKRSIQGHNDYICPATNQCTIDKNRRKSCQACRLRKCYEVGMMKCGLRRDRSSYQQRGAQQKRLVRFSGRMRMTGPRSQEIKSIPRPLSGNEVVRISLSPEELISRIMEAEPPEIYLMKDMKKPFTEANVMMSLTNLADKELVHMISWAKKIPGFVELSLFDQVHLLECCWLEVLMLGLMWRSVNHPGKLIFSPDLCLSRDESSCVQGLVEIFDMLLAATSRFRELKLQREEYVCLKAMILLNSNMCLGSSEGGEDLQSRSKLLCLLDSVTDALVWAISKTGLSFQQRSTRLAHLLMLLSHIRHVSNKGMDHLHCMKMKKMVPLYDLLLEMLDAHIMHSSRLSHSGPRAPAAHKDNKSVQEAFPCSSQHGP |
4IUI Chain:B ((6-245)) | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LSLTADQMVSALLDAEPPILYSEYDPTR----ASMMGLLTNLADRELVHMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDR--------MVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYT---------EEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLSDLLLEMLDAHRL---------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4IUI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -170134 for 1628 contacts (-104.5/contact) +
2D Compatibility (PS) -23905 + (NN) -18695 + (LL) 14628
1D Compatibility (HY) -31600 + (ID) 6500
Total energy: -236206.0 ( -145.09 by residue)
QMean score : 0.536
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