Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTFEEKLSQMYNEIANKISSMIPVEWEKVYTMAYIDDEGGEV-FYYYTEPGSNELYYYTSVLNKYDISESEFMDSAYELYKQFQNLRNIFKEEGYEPWTSCEFDFTKEGELKVSFDYIDWINTEFDQLGRQNYYMYKKFGVIPEMEYEMEEVKEIEQYIKEQEEAEQ----------
2IA1 Chain:A ((1-178))
-SLEKQIESYYQEIAQLIIDMIPEEWAEVRFYAQEDHDGWKIFFFHYLSASSDEWTKDIDIRDVIKVPQDEFMEKYNELSFCISDFRKDYAEAFGEPWMSFQMTFYASGKFNIDFYYDKN---PFDTFLTRLAWQYEHFGTIPD----SFYKETLNEYLEEKAQGKRYPFLEPLHHH
General information:
TITO was launched using:
RESULT:
Template:
2IA1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -61649 for 1032 contacts (-59.7/contact) +
2D Compatibility (PS) -17350 + (NN) -10134 + (LL) 892
1D Compatibility (HY) -8800 + (ID) 2150
Total energy: -99191.0 ( -96.12 by residue)
QMean score : 0.644
(partial model without unconserved sides chains):
PDB file :
Tito_2IA1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2IA1-query.scw
PDB file :
Tito_Scwrl_2IA1.pdb
: