Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNIQIVTVGKLKEKYLVQGIAEYLKRLSAYAKVTIVEVPDEKAPEVLSDAEMKQVKDKEGARILAKIPDDAYVIALAIDGKMKSSEEFAADLDKLATYGKSKVTFVIGGSLGLSEAVLK-RSNERISFGRLTLPH-QLMRLVLVEQVYRAFRIVRGEPYHK
3KNU Chain:A ((80-168))
---------------------------------------------------------------------NTKLMFTSPRGVSFTQ-DIARQTMN-----FDNITLLCGRFEGIDERVVDFYKLQEVSIGDYVLSGGELAAMVIIDTCVR------------
General information:
TITO was launched using:
RESULT:
Template:
3KNU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -41448 for 443 contacts (-93.6/contact) +
2D Compatibility (PS) -8198 + (NN) -7030 + (LL) 7432
1D Compatibility (HY) -5600 + (ID) 650
Total energy: -55494.0 ( -125.27 by residue)
QMean score : 0.395
(partial model without unconserved sides chains):
PDB file :
Tito_3KNU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KNU-query.scw
PDB file :
Tito_Scwrl_3KNU.pdb
: