Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKLKIITVGKLKEKYLKEGVAEYQKRLNRFSKIETIELADEKTPDKASISENQRILDIEGERILSKIGERDYVIGLAIEGKQLPSESFSHLIDQKMISGYSTITFVIGGSLGLSQKVKKRADYLMSFGLLTLPHQLMKLVLMEQIYRAFMIRQGTPYHK
1NS5 Chain:A ((2-153))
-KLQLVAVGTKMPDWVQTGFTEYLRRFPKDMPFELIEIPAGKRGKNADI---KRILDKEGEQMLAAAG-KNRIVTLDIPGKPWDTPQLAAELERWKLDGRD-VSLLIGGPEGLSPACKAAAEQSWSLSALTLPHPLVRVLVAESLYRAWSITTNHPYH-
General information:
TITO was launched using:
RESULT:
Template:
1NS5.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -14381 for 1088 contacts (-13.2/contact) +
2D Compatibility (PS) -15803 + (NN) -2006 + (LL) 220
1D Compatibility (HY) 8800 + (ID) 500
Total energy: -23670.0 ( -21.76 by residue)
QMean score : 0.313
(partial model without unconserved sides chains):
PDB file :
Tito_1NS5.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1NS5-query.scw
PDB file :
Tito_Scwrl_1NS5.pdb
: