Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDKFLNNRWAVKIIALLFALLLYVAVNSNQAPTPKKPGESFFPTSTTDEATLTDIPVKAYYDDENYVVTGVPQTVNVTIKGSTSAVKKARQTKNFEIYADMEHLKTGTHKVELKAKNVSDGLTISINPSVTTVTIQERTTKSFPVEVEYYNKSKMKKGYSPEQPIVSPKNVQITGSKNVIDNISLVKASVNLENADETIEKEAKVTVYDKDGNALPVDVEPSVIKITVPVTSPSKKVPFKIERTGSLPDGVSIANIESSPSEVTVYGSQDVLDSLEFIDGVSLDLSKINKDSDIEADIPLPDGVKKISPSKVTLHIEVDSEADQKFENVPIKTVGLSSSQNIEFLDPESQAIDVTAKGSPTNINKLKKSDIELYVNVSDLEDGEHSVKLEVNGPQNVTWSLGRKNAKIKLTSKKSNTSTNDNSSNTSGNQDTDKQTNDQKNNQQEDTKNTDKNNNDQNQDGNKDQNQDQDEDESTANSQSSSE |
2KPU Chain:A ((1-96)) | ------------------------------------------SSQTLDRDPTLTLSLIAKNTPANSMIMTKLPSVRVKTEGYNPSIN----VNELFAYVDLSGSEPGEHDYEVKVEPIPNIKIVEISPRVVTLQLEHHHHHH----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2KPU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -32363 for 605 contacts (-53.5/contact) +
2D Compatibility (PS) -10363 + (NN) -3000 + (LL) 17652
1D Compatibility (HY) -3600 + (ID) 850
Total energy: -32524.0 ( -53.76 by residue)
QMean score : 0.593
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