Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKILNQPTDVVTEMLDGLAYVHNDLVHRVEGFDIIARNEEKSGKVALISGGGSGHEPSHAGFVGEGMLSAAVCGAVFTSPTPDQVLEAIKEADEGAGVFMVIKNYSGDIMNFEMAQDMAEMEGIDVASVVVDDDIAVEDSLYTQGKRGVAGTILVHKILGHAARHGKSLQEIKAIADELVPNIHTVGLALSGATVPEVGKPGFVLAEDEIEFGIGIHGEPGYRKEKMQPSKALATELVDKLIESFDAKSGEKYGVLINGMGATPLMEQYVFANDVAKLLEDKGIEVNYKKLGNYMTSIDMAGLSLTLIKLENQEWLEALNSDVTTIAW |
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) -175968 for 2922 contacts (-60.2/contact) +
2D Compatibility (PS) -35133 + (NN) -18332 + (LL) 728
1D Compatibility (HY) -42400 + (ID) 11200
Total energy: -282305.0 ( -96.61 by residue)
QMean score : 0.606
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