Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPAIVLIGAQWGDEGKGKATDLLGGRVQWVVRYQGGNNAGHTVVLPTGENFALHLIPSGVLTPGVTNVIGNGVVID-PGVL----LNELRGLQDRGVDTAKLLISADAHLLMPYHIAID---KVTERYMGSKKIGTTGRGIGPCYQDKIARIGIRVADVLDPEQLTHKVEAACEFKNQVLVKIYNRKALDPAQVVD--ALLEQAEGFKHRIA----DTRLLLNAALEAG-ETVLLEGSQGTLLDVDHGTYPYVTSSNPTAGGAAVGSGIGPTRIGTVLGILKAYTTRVGSGPFPTELFDEHGEYLSKTGREFGVTTGRRRRCGWFDAVIARYAARVNGITDYFLTKLDVLSSLESVPVCVGYEIDGRRTRDMPMTQRDLCRAKPVYEELPGWWEDISGAREFDDLPAKARDYVLRLEQLAGAPVSCIGVGPGREQTIVRRDVLQDRP |
2DGN Chain:A ((35-454)) | ----VVLGAQWGDEGKGKVVDLLATDADIVSRCQGGNNAGHTVVV-DGKEYDFHLLPSGIINTKAVSFIGNGVVIHLPGLFEEAEKNEKKGLKDW---EKRLIISDRAHLVFDFHQAVDGLQEVQRQAQEGKNIGTTKKGIGPTYSSKAARTGLRICDLLSDFD-----EFSARFKNLA----HQHQSMFPTLEIDVEGQLKRLKGFAERIRPMVRDGVYFMYEALHGPPKKVLVEGANAALLDIDFGTYPFVTSSNCTVGGVCTGLGIPPQNIGDVYGVVKAYTTRVGIGAFPTEQINEIGDLLQNRGHEWGVTTGRKRRCGWLDLMILRYAHMVNGFTALALTKLDILDVLSEIKVGISYKLNGKRIPYFPANQEILQKVEVEYETLPGWKADTTGARKWEDLPPQAQSYVRFVENHMGVAVKWVGVGKSRESMI---------- |
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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) -145040 for 3514 contacts (-41.3/contact) +
2D Compatibility (PS) -44016 + (NN) -21873 + (LL) 2072
1D Compatibility (HY) -32800 + (ID) 9700
Total energy: -251357.0 ( -71.53 by residue)
QMean score : 0.456
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