Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
--MHYVTPDLCDAYPELVQVVEPMFSNFGGRDSFGGEIVTIKCFEDNSLVKEQVDKDGKGKVLVVDGGGSLRRALLGDMLAEKAAKNGWEGIVVYGCIRDVDVIAQTDLGVQALASHPLKTDKRGIGDLNVAVTFGGVTFRPGEFVYADNNGIIVSPQALKMPE
1NXJ Chain:A ((28-183))
AISFRPTADLVDDIGPDVRSCDLQFRQFGGRSQFAGPISTVRCFQDNALLKSVLSQPSAGGVLVIDGAGSLHTALVGDVIAELARSTGWTGLIVHGAVRDAAALRGIDIGIKALGTNPRKSTKTGAGERDVEITLGGVTFVPGDIAYSDDDGIIVV--------
General information:
TITO was launched using:
RESULT:
Template:
1NXJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -122678 for 1335 contacts (-91.9/contact) +
2D Compatibility (PS) -17531 + (NN) -11980 + (LL) 536
1D Compatibility (HY) -11200 + (ID) 3350
Total energy: -166203.0 ( -124.50 by residue)
QMean score : 0.542
(partial model without unconserved sides chains):
PDB file :
Tito_1NXJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1NXJ-query.scw
PDB file :
Tito_Scwrl_1NXJ.pdb
: