Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MVMQFQGLENPIQISPHCSCTPSGFFMEMMSMKPAKGVLTEQVAGPLGQNLEVEPYSQYSNVQFPQVQPQISSSSYYSNLGFYPQQPEEWYSPGIYELRRMPAETLYQGETEVAEMPVTKKPRMGASAGRIKGDELCVVCGDRASGYHYNALTCEGCKGFFRRSITKNAVYKCKNGGNCVMDMYMRRKCQECRLRKCKEMGMLAECMYTGLLTEIQCKSKRLRKNVKQHADQTVNEDSEGRDLRQVTSTTKSCREKTELTPDQQTLLHFIMDSYNKQRMPQEITNKILKEEFSAEENFLILTEMATNHVQVLVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKK----LPSGHSDLLEERIRNSGISDEYITPMFSFYKSIGELKMTQEEYALLTAIVILSPDRQYIKDREAVEKLQEPLLDVLQKLCKIHQPENPQH---FACLLGRLTELRTFNHHHAEMLMSWRVNDHKFTPLLCEIWDVQ |
3IXP Chain:D ((69-261)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------FRQITEMTILTVQLIVEFAKGLPGFSKISQSDQITLLKACSSEVMMLRVARRYDAATDSVLFANNQAYTRDNYRKAGMA-YVIEDLLHFCRCMYSMMMDNVHYALLTAIVIFS-DRPGLEQPSLVEEIQRYYLNTLRVYILNQNSASPRSAVIFGKILGILTEIRTLGMQNSNMCISLKLKNRKLPPFLEEIWDVA |
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General information:
TITO was launched using:
| RESULT:
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Template: 3IXP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -122526 for 1328 contacts (-92.3/contact) +
2D Compatibility (PS) -20286 + (NN) -18707 + (LL) 18364
1D Compatibility (HY) -21200 + (ID) 3350
Total energy: -167705.0 ( -126.28 by residue)
QMean score : 0.632
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