Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MADVVVGIQWGDEGKGKIVDRIAKDYDFVVRYQGGHNAGHTIVHKGVKHSLHLMPSGVLYPKCKNIISSAVVVSVKDLCEEISAFEDLENRLFISDRAHVILPYHAKKDAFKEKSQN-IGTTKKGIGPCYEDKMARSGIRMGDLLDDKILEEKLNAHFKAIEPFKKAYDLGENYEKDLMGYFKTYAPKICPFIKDTTSMLIEANQKGEKILLEGAQGTLLDIDLGTYPFVTSSNTTSASACVSTGLNPKAINEVIGITKAYSTRVGNGPFPSEDTTPMGDHLRTKGVEFGTTTKRPRRCGWLDLVALKYACALNGCTQLALMKLDVLDGIDAIKVCVAYERKGERLEAFPSDLKDCTPIYQTFKGWEKSVGVRKLDDLEPNAREYIRFIEKEVGVKIGLISTSPEREDTIFL |
3R7T Chain:A ((7-419)) | -ADIIVGIQWGDEGKGKVVDKLCENYDFVCRSAGGHNAGHTIWVNGVRYALHLMPSGVLHPRCINIIGNGVVVSPEVLIAEMAQFENLKGRLYISDRAHLNLKHHSLIDIAKEKLKGK------GIGPSYADKINRTGHRVGELLEPQRLCEALIKDFEANKTFFEMLEIEIPSAEELLADLKRFNEILTPYITDTTRMLWKALDEDKRVLLEGAQGSMLDIDHGTYPYVTSSSTISAGTLTGLGLNPKEAGNIIGIVKAYATRVGNGAFPTEDKGEDGEKIAQIGKEIGVSTGRKRRCGWFDAVAVRYTARLNGLDALSLMKLDVLDGFEKIKICRAYEYKGMEIDYIPSDLENVQPIYEEMDGWDKVFGIKDYDLLPENAKKYIARLEELAGVKVKYISTSPERDDTIIL |
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General information:
TITO was launched using:
| RESULT:
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Template: 3R7T.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -207303 for 3531 contacts (-58.7/contact) +
2D Compatibility (PS) -43071 + (NN) -11585 + (LL) 472
1D Compatibility (HY) -38000 + (ID) 10450
Total energy: -309937.0 ( -87.78 by residue)
QMean score : 0.498
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