Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MADVVVGIQWGDEGKGKIVDRIAKDYDFVVRYQGGHNAGHTIVHKGVKHSLHLMPSGVLYPKCKNIISSAVVVSVKDLCEEIS-----AFEDLENRLFISDRAHVILPYHAKKDAFKE------KSQNIGTTKKGIGPCYEDKMARSGIRMGDLLDDKILEEKLNAHFKAIEPFKKAYDLGENYEKDLMGYFKT---YAPKICPFIKDTTSMLIEA-NQKGEKILLEGAQGTLLDIDLGTYPFVTSSNTTSASACVSTGLNPKAINEVIGITKAYSTRVGNGPFPSEDTTPMGDHLRTKGVEFGTTTKRPRRCGWLDLVALKYACALNGCTQLALMKLDVLDGIDAIKVCVAYERKGERLEAFPSD---LKDCTPIYQTFKGWEK-SVGVRKLDDLEPNAREYIRFIEKEVGVKIGLISTSPEREDTIFL |
2DGN Chain:A ((35-456)) | ---VVLGAQWGDEGKGKVVDLLATDADIVSRCQGGNNAGHTVVVDGKEYDFHLLPSGIINTKAVSFIGNGVVIHLPGLFEEAEKNEKKGLKDWEKRLIISDRAHLVFDFHQAVDGLQEVQRQAQEGKNIGTTKKGIGPTYSSKAARTGLRICDLLSDF---DEFSARFKNLA--HQHQSMFPTLEIDVEGQLKRLKGFAERIRPMVRDGVYFMYEALHGPPKKVLVEGANAALLDIDFGTYPFVTSSNCTVGGVCTGLGIPPQNIGDVYGVVKAYTTRVGIGAFPTEQINEIGDLLQNRGHEWGVTTGRKRRCGWLDLMILRYAHMVNGFTALALTKLDILDVLSEIKVGISYKLNGKRIPYFPANQEILQKVEVEYETLPGWKADTTGARKWEDLPPQAQSYVRFVENHMGVAVKWVGVGKSRESMIQL |
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General information:
TITO was launched using:
| RESULT:
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Template: 2DGN.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -177070 for 3526 contacts (-50.2/contact) +
2D Compatibility (PS) -42903 + (NN) -7218 + (LL) 752
1D Compatibility (HY) -38000 + (ID) 9350
Total energy: -273789.0 ( -77.65 by residue)
QMean score : 0.480
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