Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MQGRIVKSLAGFYYVESDGVVYQTRARGNFRKKGQIPYVGDWVEFSSQDQSEGYILSIEERKNSLVRPPIVNIDQAVVIMSAKEPDFNANLLDRFLVLLEYKMIQPIIYISKLDLLDDLVVIDDIREHYQNIGYVFCYSQEELLPLLADKVTVFMGQTGVGKSTLLNKIAPELKLETGEISDSLGRGRHTTRAVSFYNVHKGKIADTPGFSSLDYEVDNAEDLNESFPELRRLSHFCKFRSCTHTHEPKCAVKEALTQGQLWQVRYDNYLQFLSEIENRRETYKKVIKRK |
| 4LOA Chain:A ((5-30)) | -----------------------------------------------------------------------------------------------------------------------------------------------------KNIVFIGESGSGKSTLARALAKDLDLVFLDSDFLIEQKFNQKASEIWEQYGWNFALEQEQKMADFFSSCEKACIATSGSFVNVSNLEKAGFCIYLKADFEYLKKRLFPLFSDEIKWKKHYNETLSKYEQKANFILNIENKN |
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General information:
TITO was launched using:
| RESULT:
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Template: 4LOA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -8474 for 106 contacts (-79.9/contact) +
2D Compatibility (PS) -2861 + (NN) -290 + (LL) 11348
1D Compatibility (HY) -1600 + (ID) 650
Total energy: -2527.0 ( -23.84 by residue)
QMean score : 0.769
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