Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSALVGVIMGSKSDWSTLSHTADMLDKLGIPYEVKVVSAHRTPDLLFQYAEEAEGRGLEVIIAGAGGAAHLPGMCAAKTHLPVLGVPVQSSMLSGVDSLLSIVQMPAGVPVATLAIGKAGAVNAALLSASILGAKHPQYHEALKQFRANQTETVLDNPDPRDA
3KUU Chain:A ((12-173))
-GVKIAIVMGSKSDWATMQFAADVLTTLNVPFHVEVVSAHRTPDRLFSFAEQAEANGLHVIIAGNGGAAHLPGMLAAKTLVPVLGVPVQSAALSGVDSLYSIVQMPRGIPVGTLAIGKAGAANAALLAAQILALHDTELAGRLAHWRQSQTDDVLDNPDPREE
General information:
TITO was launched using:
RESULT:
Template:
3KUU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -123456 for 1305 contacts (-94.6/contact) +
2D Compatibility (PS) -17684 + (NN) -8554 + (LL) 208
1D Compatibility (HY) -18000 + (ID) 5150
Total energy: -172636.0 ( -132.29 by residue)
QMean score : 0.641
(partial model without unconserved sides chains):
PDB file :
Tito_3KUU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KUU-query.scw
PDB file :
Tito_Scwrl_3KUU.pdb
: