Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRRLVNDGYEAVEEMLAGYVAAQGKYVDFAENDKRVIVSKQMSEEPRVRIIVGGGSGHEPLFLGYVGKDFADAAVVGNINTSPSPEPCYNAVKAVDSGKGCLYMYGNYAGDVMNFDMGAEMAADDGIRVETVLVTDDIYSA--EKVEDRRGVAGDLIVFKAAASAAAKGLDLDAVKQAAEKANANTFSMGVALSSSTLPVTGKAIFEMKEGEMEVGMGIHGEPGIKRTSIEPADKVVDQIMGYLIEEMKLTSDEEVHVLINGLGGLPVMDQYICYRRVDEILKEKGVHIHNPLVGNYATSMDMIGMSITLVRLD-DELKDLLDTPCDTPYFKVD |
3CT4 Chain:A ((4-331)) | -EKIINQPQDVVSEMLDGLTYAYGDLIEKVP-DFEIIQRKSPK-SGKVALVSGGGSGHEPAHAGFVGEGMLSAAVCGAIFTSPTPDQIYEAIKSADEGAGVLLIIKNYLGDVMNFEMAREMAEMEEIKVEQIIVDDDIAVENSLYTQGRRGVAGTVLVHKILGAAAHQEASLDEIKDLADKVVKNIKTIGLALSAATVP----------DNEIEYGVGIHSEPGYRREKMKTSYELATELVGKLKEEFKFEAGQKYGILVNGMGATPLMEQFIFMNDVAKLLTEENIEILFKKVGNYMTSIDMAGLSLTMIKLEDDQWLKNLNEDVKTISW--- |
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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) -193999 for 2878 contacts (-67.4/contact) +
2D Compatibility (PS) -34972 + (NN) -17055 + (LL) 1404
1D Compatibility (HY) -26800 + (ID) 6100
Total energy: -277522.0 ( -96.43 by residue)
QMean score : 0.542
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