Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MASSTTFVIVGGGLAGAKAVEALRRSDFGGRIILFGDEEHLPYDRPPLSKEFLAGKKSLSDFTIQTSDWYRDHDVDVRLGVRVSSLDRSAHTVELPDGAAVRYDKLLLATGSAPRRP-PIPGSDAAGVHYLRSYNDAVALNSVLVQGSSLAVVGAGWIGLEVAASARQRGVDVTVVETAIQPLLAALGEAVGKVFADLHRDQGVDLRLQTQLEEITAADGKATGLKMRDGSTVAADAVLVAVGAKPNVELAQQAGLAMGEGGVLVDASLRTSDPDIYAVGDIAAAEHPLLGTRVRTEHWANALKQPAVAAAGMLGRP-GEYAELPYLFTDQYDLGMEYVGHAPSCDRVVFRGNV---AGREFLSFWLDGDSRVLAGMNVNVWDVVDDVKGLIRSGNPVDVDRLVDPQWPLADLTTN |
2GQW Chain:A ((6-403)) | --LKAPVVVLGAGLASVSFVAELRQAGYQGLITVVGDEAERPYDRPPLSKDFMAHGD-AEKIRL---DCKRAPEVEWLLGVTAQSFDPQAHTVALSDGRTLPYGTLVLATGAAPRALPTLQGAT-MPVHTLRTLEDARRIQAGLRPQSRLLIVGGGVIGLELAATARTAGVHVSLVETQPRLMSRAAPATLADFVARYHAAQGVDLRFERSVTGSVDG-----VVLLDDGTRIAADMVVVGIGVLANDALARAAGLACD-DGIFVDAYGRTTCPDVYALGDVTRQRNPLSGRFERIETWSNAQNQGIAVARHLVDPTAPGYAELPWYWSDQGALRIQVAGLASGDEE--IVRGEVSLDAPKFTLIE-LQKGRIVGATCVNNARDFAPLRRLLAVGAKPDRAALADPATDLRKLA-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2GQW.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -251911 for 3411 contacts (-73.9/contact) +
2D Compatibility (PS) -42111 + (NN) -16199 + (LL) 1260
1D Compatibility (HY) -26000 + (ID) 7150
Total energy: -342111.0 ( -100.30 by residue)
QMean score : 0.552
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