Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKILNQPTDVVTEMLDGLAYVHNDLVHRVEGFDIIARNEEKSGKVALISGGGSGHEPSHAGFVGEGMLSAAVCGAVFTSPTPDQVLEAIKEADEGAGVFMVIKNYSGDIMNFEMAQDMAEMEGIDVASVVVDDDIAVEDSLYTQGKRGVAGTILVHKILGHAARHGKSLQEIKAIADELVPNIHTVGLALSGATVPEVGKPGFVLAEDEIEFGIGIHGEPGYRKEKMQPSKALATELVDKLIESFDAKSGEKYGVLINGMGATPLMEQYVFANDVAKLLEDKGIEVNYKKLGNYMTSIDMAGLSLTLIKLENQEWL--EALNSDVTTIAW |
3CT4 Chain:A ((4-331)) | -EKIINQPQDVVSEMLDGLTYAYGDLIEKVPDFEIIQRKSPKSGKVALVSGGGSGHEPAHAGFVGEGMLSAAVCGAIFTSPTPDQIYEAIKSADEGAGVLLIIKNYLGDVMNFEMAREMAEMEEIKVEQIIVDDDIAVENSLYTQGRRGVAGTVLVHKILGAAAHQEASLDEIKDLADKVVKNIKTIGLALSAATVP----------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) -166128 for 2890 contacts (-57.5/contact) +
2D Compatibility (PS) -34762 + (NN) -17729 + (LL) 1028
1D Compatibility (HY) -40400 + (ID) 10850
Total energy: -268841.0 ( -93.02 by residue)
QMean score : 0.580
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