Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNIDFNIINNMININTKRQITGFFVYIIGFSGSGKLSTAIELSNMIDALIVNSNFSNNTQVCSIYDNVFEHNHIPEEVQDRIYNIAQIMLQAIEAYLIHSKNYIFIDELMKNNDHNTKMYNSVVELSKRMNTQILPIVLRCDLLTLQKRIKLKRQRENKKATNI-SSIIENFRTHDSFIPPNAIEIENSNMSIKEVAEKITSQMHKLSQINSIYTKG
3NWJ Chain:A ((82-291))
-----QQILKKKAEEVKPYLNGRSMYLVGMMGSGKTTVGKIMARSLGYTFFDCDTLIEQAMKGTSVAEIFEHFGESVFREKETEALKKLSLMYHQVVVSTGGGAVI-----RPINWKYMHKG------------ISIWLDVPLEALAHRIAATYTAALNRLSTIWDARGEAYTKASARVSLENITLKLGYRSVSDLTPAEIAIEA-FEQVQSYLEKE
General information:
TITO was launched using:
RESULT:
Template:
3NWJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -71452 for 1522 contacts (-46.9/contact) +
2D Compatibility (PS) -20444 + (NN) -2715 + (LL) 2232
1D Compatibility (HY) -3600 + (ID) 1200
Total energy: -97179.0 ( -63.85 by residue)
QMean score : 0.251
(partial model without unconserved sides chains):
PDB file :
Tito_3NWJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NWJ-query.scw
PDB file :
Tito_Scwrl_3NWJ.pdb
: