Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGKNVVVLGTQWGDEGKGKIVDLLTEQAAAVVRYQGGHNAGHTLVIDGEKTVLHLIPSGILREGVQCLIGNGVVLAPDALLREITKLEEKGVPVRERLRISPSCPLILSYHVALDQAREKARGEAKIGTTGRGIGPAYEDKVARRGLRVGDLFHRERFAAKLGELLDYHNFVLQHYYKEPAIDFQKTLDEAMEYAELLKPMMADVAATLHDLRKHGKDIMFEGAQGSLLDIDHGTYPYVTSSNTTAGGTATGSGFGPLYLDYVLGITKAYTTRVGSGPFPTELFDDVGAYLAKRGHEFGATTGRARRCGWFDAVILRRAIEINSISGLCLTKLDVLDGLDVVRLCVGYKNADGDVLE-APTDADSYIGLQPVYEEMPGWSESTVGAKTLEELPANARAYIKRVEELVGAPIDIISTGPDRNETIILRHPFA- |
1ADE Chain:A ((1-431)) | -GNNVVVLGTQWGDEGKGKIVDLLTERAKYVVRYQGGHNAGHTLVINGEKTVLHLIPSGILRENVTSIIGNGVVLSPAALMKEMKELEDRGIPVRERLLLSEACPLILDYHVALDNAREKARGAKAIGTTGRGIGPAYEDKVARRGLRVGDLFDKETFAEKLKEVMEYHNFQLVNYYKAEAVDYQKVLDDTMAVADILTSMVVDVSDLLDQARQRGDFVMFEGAQGTLLDIDHGTYPYVTSSNTTAGGVATGSGLGPRYVDYVLGILKAYSTRVGAGPFPTELFDETGEFLCKQGNEFGATTGRRRRTGWLDTVAVRRAVQLNSLSGFCLTKLDVLDGLKEVKLCVAYRMPDGREVTTTPLAADDWKGVEPIYETMPGWSESTFGVKDRSGLPQAALNYIKRIEELTGVPIDIISTGPDRTETMILRDPFDA |
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General information:
TITO was launched using:
| RESULT:
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Template: 1ADE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -213831 for 3711 contacts (-57.6/contact) +
2D Compatibility (PS) -47370 + (NN) -27587 + (LL) 208
1D Compatibility (HY) -48400 + (ID) 15000
Total energy: -351980.0 ( -94.85 by residue)
QMean score : 0.581
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