Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTIYHFVGIKGSGMSALAQILHDKGFQVQGSDVDKYFFTQKALEEKQIPIMTFSADNIQEGLTIIAGNAFPDTHEEIERALELGLSVIRYHKFLGQLIDGYTSIAITGSHGKTSTTGLLSHVV--GAIRPTSYLIGDGTGSGTKDA-----EYFALEACEYQRHFLAYKPTYAIMTNIDWDHPDYFKSVDDVFNAFETLGKQVKKAVF-----ALGDDAELRKLTLDI--PIIYFGFGEENEFQAKNVIKETTGTK----FDVYHREEFLSSFEIPAYGDHNVLNALSVIALCDYEGLPVEDVKNELKTFEGVKRRFS-----ITEKGNQVLVDDYAHHPSEIRATVNAARQKYPDKKVVAVFQPHTFTRTRTFLQGFADSLNLADEVYLCDIFGSAREKTGNLTIADLAHKTKGNHIIKEEHTEELLKYPEAVILFMGAGDVQKFQAAYEKVLDHEFLTEADLKKSAIN |
1P31 Chain:A ((22-407)) | ----HFIGIGGAGMSGIAEILLNEGYQISGSDIADGVVTQRLAQAGAKIYIGHAEEHIEGASVVVVSSAIKDDNPELVTSKQKRIPVIQRAQMLAEIMRFRHGIAVAGTHGKTTTTAMISMIYTQAKLDPT-FVNGGLVKSAGKNAHLGASRYLIAEADESDASFLHLQPMVSVVTNMEPDHMDTYEG--DFEKMKATYVKFLHNLPFYGLAVMCADDPVLMELVPKVGRQVITYGFSEQADYRIEDY--EQTGFQGHYTVICPNNERINVLLNVP--GKHNALNATAALAVAKEEGIANEAILEALADFQGAGRRFDQLGEFIRPNGKVRLVDDYGHHPTEVGVTIKAAREGWGDKRIVMIFQPHRYSRTRDLFDDFVQVLSQVDALIMLDVYAAG------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1P31.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -154151 for 3029 contacts (-50.9/contact) +
2D Compatibility (PS) -38903 + (NN) -14965 + (LL) 6980
1D Compatibility (HY) -25200 + (ID) 5750
Total energy: -231989.0 ( -76.59 by residue)
QMean score : 0.424
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