Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKILTVEDDKLIREGISEYLSEFGYTVIQAKDGREALSKFNSD-INLVILDIQIPFINGLEVLKEIRKKSNLPILILTAFSDEEYKIDAFTNLVDGYVEKPFSLPVLKARIDSLIKKNFGHLEKFEYKNLSVNFNSYTAKINDEKIDVNAKELEILKCLLDNDGQVLTRMQIIDYVWKDSEEIPYDRVVDVYIKELRKKLQLDCITTIRNVGYKLERK
1NXW Chain:A ((3-119))
-KILIVDDEKPISDIIKFNMTKEGYEVVTAFNGREALEQFEAEQPDIIILDLMLPEIDGLEVAKTIRKTSSVPILMLSAKDSEFDKVIGLELGADDYVTKPFSNRELQARVKALLRRS----------------------------------------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
1NXW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -102213 for 927 contacts (-110.3/contact) +
2D Compatibility (PS) -12910 + (NN) -7360 + (LL) 8060
1D Compatibility (HY) -9200 + (ID) 2500
Total energy: -126123.0 ( -136.06 by residue)
QMean score : 0.665
(partial model without unconserved sides chains):
PDB file :
Tito_1NXW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1NXW-query.scw
PDB file :
Tito_Scwrl_1NXW.pdb
: