Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKRPEKIQNVVKLLSSLGVNIKKTKSRLDIINTLPASNKVSHELK
2PQC Chain:A ((349-377))
--ESDRLSAVANGLKLNGVDCDEGETSLVVR--------------
General information:
TITO was launched using:
RESULT:
Template:
2PQC.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -7244 for 134 contacts (-54.1/contact) +
2D Compatibility (PS) -3032 + (NN) -1532 + (LL) 932
1D Compatibility (HY) -1200 + (ID) 250
Total energy: -12326.0 ( -91.99 by residue)
QMean score : 0.795
(partial model without unconserved sides chains):
PDB file :
Tito_2PQC.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2PQC-query.scw
PDB file :
Tito_Scwrl_2PQC.pdb
: