Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKILLAVTGGIAAYKAIDLTSKLTQSGYEVRVMLTNHAQKFVTPLAFQAISRNAVYTDTFIEENPSEIQHIALGDWADAIIVAPATANTIAKLSVGIADDLVTSTLLATETPKFIAPAMNVHMYENKRTQQNINILKEDGYHFIEPGSGFLACGYVAKGRMEEPLQIVSVIDAHFQNSNRLANSSFQDKRALVTAGPTIEVIDPVRFVSNRSSGKMGYAIAEALRNRGAIVTLVAGPTTLEDPKDIEVIHVQSAEEMFEQVTSRFDEQDIVVKAAAVSDYTPVDVLEHKMKKQDGD-LSVSFKRTKDI---LKYLGEHKTSQYLIGFAAETEDIENYAQQKLRKKNADVIISNNVGDMSIGFSSDDNELTMHFKNNEKVNIKKGKKVVLAAQILDELETRWQ |
1U80 Chain:A ((12-220)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MITAGPTREPLDPVRYISDHSSGKMGFAIAAAAARRGANVTLVSGPVSLPTPPFVKRVDVMTALEMEAAVNASVQQQNIFIGCAAVADYRAATVAPEKIKK----ELTIKMVKNPDIVAGVAALKDHRP--YVVGFAAETNNVEEYARQKRIRKNLDLICANDVSQPTQGFNSDNNALHLFWQDGDKV-LPLERKELLGQLLLDEIVTRY- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1U80.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -78528 for 1624 contacts (-48.4/contact) +
2D Compatibility (PS) -21824 + (NN) -12014 + (LL) 14456
1D Compatibility (HY) -16400 + (ID) 4300
Total energy: -118610.0 ( -73.04 by residue)
QMean score : 0.524
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