Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKILTVEDDKLIREGISEYLSEFGYTVIQAKDGREALSKFNSD-INLVILDIQIPFINGLEVLKEIRKKSNLPILILTAFSDEEYKIDAFTNLVDGYVEKPFSLPVLKARIDSLIKKNFGHLEKFEYKNLSVNFNSYTAKINDEKIDVNAKELEILKCLLDNDGQVLTRMQIIDYVWKDSEEIPYDRVVDVYIKELRKKLQLDCITTIRNVGYKLERK
2A9P Chain:A ((3-118))
-KILIVDDEKPISDIIKFNMTKEGYEVVTAFNGREALEQFEAEQPDIIILDLMLPEIDGLEVAKTIRKTSSVPILMLSAKDSEFDKVIGLELGADDYVTKPFSNRELQARVKALLRR-----------------------------------------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
2A9P.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -102714 for 925 contacts (-111.0/contact) +
2D Compatibility (PS) -12545 + (NN) -5369 + (LL) 7980
1D Compatibility (HY) -9200 + (ID) 2500
Total energy: -124348.0 ( -134.43 by residue)
QMean score : 0.678
(partial model without unconserved sides chains):
PDB file :
Tito_2A9P.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2A9P-query.scw
PDB file :
Tito_Scwrl_2A9P.pdb
: