Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKVYLRKIDNQILHNKRISIKKGILEHFFDKANNQDEVDMSGILSNYNDKVSILLATDPRLGGGIKRIISAEVDKIKENRLDYELKIDDILLFTYISYKKYTLEIILLADTRYNVLNGLINNSKHLLVFSENETRTLDDGKINESV--RIDGGKNIILYGVPGSGKSYTLQRDYCNNS-VVEKIVFHPDYSYSDFVGQIMPSVDDSGIVSYKFNPGPFTNILKKAYHNPQTKHVLVIDEINRGNVPAIFGEIFQLLDRLKHDKDGFKKGSSEYAINNTDIANIVHNDKNASIRIPSNLWIVATMNTSDQNVFTLDTAFQRRFSMQLVENSFENVDDDFKNMKILDTDMTWQKFCTTINEKIAQNNEGLSSMEDKRFGVYFVSIDDLKSKENFAHKVIKYLWDDVFKFDRNIIFNTTKFNTLEAVVKNFIKEKDRTQFDVFSDDIKELLFNV |
3M6A Chain:A ((82-251)) | -----------------------------------------------------------------------------------------------------------------------------EHHGLEKVKERILE-YLAVQKLTKSLKGPILCLAGPPGVGKTSLAKSIAKSLGRKFVRISLG----------------------------GRIIQGMKKAGK---LNPVFLLDEIDKMS------AMLEVLDPEQNS---------SFS-----------DHYIEETFDLSKVLFIATANNLA----TIPGPLRDRMEIINIAGYTEIEKLEIVKDHLLPKQIKEHGLKKSNLQLRDQAILDIIRYYTREAGVRSLERQLAAICRKAAKAIVAEERKRITVTEKNLQDFIGKRIFRYGQAETEDQVGVVTGLAYTTVGGDTLSIEV |
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General information:
TITO was launched using:
| RESULT:
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Template: 3M6A.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -33104 for 949 contacts (-34.9/contact) +
2D Compatibility (PS) -14885 + (NN) -3457 + (LL) 10548
1D Compatibility (HY) -3200 + (ID) 1250
Total energy: -45348.0 ( -47.79 by residue)
QMean score : 0.287
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