Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTISPILPVYSPININFSYGKGIYLYNIDGKRYIDFHSGIAVSSLGHTNLQLTSVLNLQGERLWHISNTYNIPTANNFAEKLINNSFADTVFFANSGSEAVECGLKIARVYQNGKGNKNRYRILTFHGAFHGRTFLTCATNDKRKFSELLNPYIDWCDNIEPN-IESVKKAISNDIGVMLIEPIQGQGGIKVMNDAFMKELRKLCDENDILLFFDCIQCGTGRTGKLFAYEHIGVKPDICALAKGIGGGFPLGVCLATEKAAQYITVGMHGSTFGGNPLATSVGNAVLDKLLSPGFLGNVEIRGKHLKNKLEDLASKFPIIEEVRGKGLMLGIKVKMDNQKFAGEL----SHRGLLTVGATSDNVVRIFPPLIITEKEIDEGIEILTQYLSEKSSDPYQYER |
4JEY Chain:A ((32-413)) | -----ILPVYAPADFIPVKGKGSRVWDQQGKEYIDFAGGIAVTALGHCHPALVEALKSQGETLWHTSNVFTNEPALRLGRKLIDATFAERVLFMNSGTEANETAFKLARHYACVRHSPFKTKIIAFHNAFHGRSLFTVSVGGQPKYSDGFGPKPADIIHVPFNDLHAVKAVMDDHTCAVVVEPIQGAGGVQAATPEFLKGLRDLCDEHQALLVFDEVQCGMGRTGDLFAYMHYGVTPDILTSAKALGGGFPVSAMLTTQEIASAF----HGSTYGGNPLACAVAGATFDIINTPEVLQGIHTKRQQFVQHLQAIDEQFDIFSDIRGMGLLIGAELKPKYKGRARDFLYAGAEAGVMVLNAGAD-VMRFAPSLVVEEADIHEGMQRFAQAVGKVVAL------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 4JEY.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -244112 for 3354 contacts (-72.8/contact) +
2D Compatibility (PS) -40563 + (NN) -20335 + (LL) 876
1D Compatibility (HY) -26800 + (ID) 7400
Total energy: -338334.0 ( -100.87 by residue)
QMean score : 0.470
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