Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSEYPEGDSPLLQLQEVDSGRVGGHILSPIFNSSSPSLPVENHPICIPSPYTDLGHDFSTLPFYSPALLGYSTSPLSDCSSVRQSLSPTLFWPPHSHVSSLTLQQQSRLQQNHATSGTWTEHTPHDHVEEENSKPLVKRVADTEETSVSLRGKADMHYCAVCSDYASGYHYGVWSCEGCKAFFKRSIQGHNDYICPATNQCTIDKNRRKSCQACRLRKCYEVGMMKCGLRRDRSSYQQRGAQQKRLVRFSGRMRMTGPRSQEIKSIPRPLSGNEVVRISLSPEELISRIMEAEPPEIYLMKDMKKPFTEANVMMSLTNLADKELVHMISWAKKIPGFVELSLFDQVHLLECCWLEVLMLGLMWRSVNHPGKLIFSPDLCLSRDESSCVQGLVEIFDMLLAATSRFRELKLQREEYVCLKAMILLNSNMCLGSSEGGEDLQSRSKLLCLLDSVTDALVWAISKTGLSFQQRSTRLAHLLMLLSHIRHVSNKGMDHLHCMKMKKMVPLYDLLLEMLDAHIMHSSRLSHSGPRAPAAHKDNKSVQEAFPCSSQHGP |
1X78 Chain:A ((3-240)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LSPEQLVLTLLEAEPPHVLISRP-SAPFTEASMMMSLTKLADKELVHMISWAKKIPGFVELSLFDQVRLLESCWMEVLMMGLMWRSIDHPGKLIFAPDLVLDRDEGKCVEGILEIFDMLLATTSRFRELKLQHKEYLCVKAMILLNSSM-----------DSSRKLAHLLNAVTDALVWVIAKSGISSQQQSMRLANLLMLLSHVRHASNKGMEHLLNMKCKNVVPVYDLLLEMLNAHVL---------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1X78.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -181144 for 1751 contacts (-103.5/contact) +
2D Compatibility (PS) -25012 + (NN) -23127 + (LL) 14204
1D Compatibility (HY) -36000 + (ID) 8150
Total energy: -259229.0 ( -148.05 by residue)
QMean score : 0.575
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