Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRDNIIIITGITASGKSELCDNLIKKYGNISIVNCDSKQVYKEIPIITAQPPKQE---EFYRLYGCVPAKENYSVGLWLEDLKGEVDHALENARMPIITGGSGLYISSLINSLSP-IPKVSEEIRKNVSELRKNLSKEEFYKLVLSKDSKIQGKISTNDLHRLSRALEVITATGKSIFVWQESRQLPLFDN-FKIYTILPKREDVYRKINSRFVTMIESGAVDEVKKLLNMNLAPHLPAMRAHGVPEIIKYLKGKITLSEAIQIAQTNTRHYAKRQYTWFKNQFPNSEVIDCANKLIEFEIF |
3EXA Chain:A ((2-291)) | -KEKLVAIVGPTAVGKTKTSVMLAK-RLNGEVISGDSMQVYRGMDIGTAKITAEEMDGVPHHLIDIKDPSESFSVADFQDLATPLITEIHERGRLPFLVGGTGLYVNAVIHQFNLGDIRADEDYRHELEAFVNSYGVQALHDKLSKIDPKAAAAIHPNNYRRVIRALEIIKLTG--------------SPYNLVMIGLTMERDVLYDRINRRVDQMVEEGLIDEAKKLYDRGI-RDCQSVQAIGYKEMYDYLDGNVTLEEAIDTLKRNSRRYAKRQLTWFRNKANV-TWFDMTDVDFDKKIM |
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General information:
TITO was launched using:
| RESULT:
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Template: 3EXA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) 20643 for 1842 contacts (11.2/contact) +
2D Compatibility (PS) -26442 + (NN) 3967 + (LL) 1624
1D Compatibility (HY) 12400 + (ID) 900
Total energy: 11292.0 ( 6.13 by residue)
QMean score : 0.196
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