Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKRVIFLLTGLFIWTSVLLAQNVPEGVIGAFKEGNSQELNKYLGDK--VDLIIQNKSTHADKRTAEGTMAAFFSNHKVGSFNVNHQ--GKRDESGFVIGILM--TAN-----GNFRVNCFFRKVQNKYVIHQIRIDKTDE
3GWR Chain:A ((12-128))
----------------------AAEDAFYAAFEARSLDDMMAVWARDDHVACIHPLAAPLNGRAAVAAGWRSMFGAAGRFRLQVKAVHEIRQADHVIRIVDEFLTIGDETAPRPAILATNVYRREADGWRMVLHHASPL--
General information:
TITO was launched using:
RESULT:
Template:
3GWR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -56051 for 699 contacts (-80.2/contact) +
2D Compatibility (PS) -11667 + (NN) -2252 + (LL) 2724
1D Compatibility (HY) -4000 + (ID) 400
Total energy: -71646.0 ( -102.50 by residue)
QMean score : 0.467
(partial model without unconserved sides chains):
PDB file :
Tito_3GWR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3GWR-query.scw
PDB file :
Tito_Scwrl_3GWR.pdb
: