Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MVLTEQKRKYMEKLSDENGIISALAFDQRGALKRLMAQYQEAEPTVEQMEDLKVLVAEELTPYASSMLLDPEYGLPATKALDKNAGLLLAYEKTGYDTSSTKRLPDCLDVWSAKRIKEQGSDAVKFLLYYDVDSSDELNQQKQAYIERVGSECVAEDIPFFLEILAYDEKIADAGSAEYAKVKPRKVIEAMKVFSDSRFNIDVLKVEVPVNVKYVEGFGDGEVIHTRGEAAAFFKQQDEATNLPYIYLSAGVAAKLFQETLIFAHESGANFNGVLCGRATWAGSVKEYIEQGEEAARQWLRTTGYQNIEELNQVLKQTATSWKERV |
3KAO Chain:A ((7-328)) | ---SNQKIASIEQLSNNEGIISALAFDQRGALKRMMAKHQTEEPTVAQIEQLKVLVAEELTQYASSILLDPEYGLPASDARNKDCGLLLAYEKTGYDVNAKGRLPDCLVEWSAKRLKEQGANAVKFLLYYDVDDAEEINIQKKAYIERIGSECVAEDIPFFLEVLTYDDNIPDNGSVEFAKVKPRKVNEAMKLFSEPRFNVDVLKVEVPVNMKYVEGFAEGEVVYTKEEAAQHFKDQDAATHLPYIYLSAGVSAELFQETLKFAHEAGAKFNGVLCGRATWSGAVQVYIEQGEDAAREWLRTTGFKNIDDLNKVLKDTATSWKQRK |
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General information:
TITO was launched using:
| RESULT:
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Template: 3KAO.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -141124 for 2793 contacts (-50.5/contact) +
2D Compatibility (PS) -35279 + (NN) -14644 + (LL) 576
1D Compatibility (HY) -36800 + (ID) 11800
Total energy: -239071.0 ( -85.60 by residue)
QMean score : 0.595
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