Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRRLVNDGYEAVEEMLAGYVAAQGKYVDFAENDKRVIVSKQMSEEPRVRIIVGGGSGHEPLFLGYVGKDFADAAVVGNINTSPSPEPCYNAVKAVDSGKGCLYMYGNYAGDVMNFDMGAEMAADDGIRVETVLVTDDIYSAEKV--EDRRGVAGDLIVFKAAASAAAKGLDLDAVKQAAEKANANTFSMGVALSSSTLPVTGKAIFEMKEGEMEVGMGIHGEPGIKRTSIEPADKVVDQIMGYLIEEMKLTSDEEVHVLINGLGGLPVMDQYICYRRVDEILKEKGVHIHNPLVGNYATSMDMIGMSITLVRLDDE--LKDLLDTPCDTPYFKVD |
3CT4 Chain:C ((4-322)) | -EKIINQPQDVVSEMLDGLTYAYGDLIEKVPDFE--IIQRKSPKSGKVALVSGGGSGHEPAHAGFVGEGMLSAAVCGAIFTSPTPDQIYEAIKSADEGAGVLLIIKNYLGDVMNFEMAREMAEMEEIKVEQIIVDDDIAVENSLYTQGRRGVAGTVLVHKILGAAAHQEASLDEIKDLADKVVKNIKTIGLALSAATVP----------DNEIEYGVGIHSEPGYRREKMKTSYELATELVGKLKEEFKFEAGQKYGILVNGMGATPLMEQFIFMNDVAKLLTEENIEILFKKVGNYMTSIDMAGLSLTMIKLEDDQWLKNL------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3CT4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -163422 for 2728 contacts (-59.9/contact) +
2D Compatibility (PS) -33599 + (NN) -15035 + (LL) 1800
1D Compatibility (HY) -28000 + (ID) 6050
Total energy: -244306.0 ( -89.55 by residue)
QMean score : 0.516
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