Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDIGIIVVSHSKNIAQGVVDLISEVA-KDVSITYVGGTEDGEIGTSFDQVQQIVEQ-NDKKTLLAFFDL--GSAKMNLELVADFS----EKNIII---NSVPVVEGAYTAAALLQAGADLDSIQSQLAELTINK
3IPR Chain:A ((1-108))
--MLGIVIATHG-ALSDGAKDAATVIMGATENIETVNLNSGDDVQALGGQIKTAIENVQQGDGVLVMVDLLSASPYNQAVLVINELEPALQKKIFVVSGTNLPMVLEAINHQLLGTPIAEAAQAIVAQGKESVQA
General information:
TITO was launched using:
RESULT:
Template:
3IPR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -84162 for 724 contacts (-116.2/contact) +
2D Compatibility (PS) -10669 + (NN) -4110 + (LL) 244
1D Compatibility (HY) -5200 + (ID) 1000
Total energy: -104897.0 ( -144.89 by residue)
QMean score : 0.503
(partial model without unconserved sides chains):
PDB file :
Tito_3IPR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3IPR-query.scw
PDB file :
Tito_Scwrl_3IPR.pdb
: