Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MFQALSDGFKNALNKIRFQDDEKALDRALDELKKTLLKNDVHHKVARELLKKVESQTKAGGIGKQQFLDALEKSLLEILSAKGSSGFTFAQTPPTVVLMAGLQGSGKTTTTAKLAHYLKTKNKKVLLCACDLQRLAAVEQLKVLGEQVGVEVF-HEENKSVKEIANNALKRAKEAQFDVLIVDSAGRLAIDKELMQELKEVKEVLN------PHEVLYVADALSGQDGVKSANTFNEEIGVSGVVLSKFDSDSKGGIALGITYQLGLPLRFIGSGEKIPDLDVFMPERIVGRLMGAGDIISLAEKTASVLNPNEAKDLSKKLKKGQFTFNDFLNQIEKVKKLGSMSSLISMIPGLGNMASALKDTDLESSLEVKKIKAMVNSMTKKERENPEILNGSRRKRIALGSGLEVSEINRIIKRFDQASKMAKRLTNKKGISDLMNLMSQAKNQTPPKMR |
1VMA Chain:B ((80-304)) | -------------------------------------------------------------------LESLKEIILEILNF--DTKLNVPPEPPFVIMVVGVNGTGKTTSCGKLAKMFVDEGKSVVLAAADTFRAAAIEQLKIWGERVGATVISHSEGADPAAVAFDAVAHALARNKDVVIIDTAGRLHTKKNLMEELRKVHRVVKKKIPDAPHETLLVIDATTGQNGLVQAKIFKEAVNVTGIILTKLDGTAKGGITLAIARELGIPIKFIGVGEKAEDLRPFDPEAFVEVLLSE--------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1VMA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -139487 for 1852 contacts (-75.3/contact) +
2D Compatibility (PS) -23930 + (NN) -14223 + (LL) 14744
1D Compatibility (HY) -20000 + (ID) 4750
Total energy: -187646.0 ( -101.32 by residue)
QMean score : 0.587
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