Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQVRLAFPNEIDQIMLLIEEARAEIAKTGSDQWQKED--GYPNRNDIIDDILNGYAWVGIEDGMLATYAAVIDGHEEVYDAIYEGKWLHDNHRYLTFHRIAISNQFRGRGLAQTFLQGLIEGHKGPDFRCDTHEKNVTMQHILNKLGYQYCGKVPLDGVRLAYQKIKEKGETSIYREIDERNPM
2PC1 Chain:A ((20-186))
MQIRLAFPNEIDQIMLLIEEARAEIAKTGSDQWQ--KEDGYPNRNDIIDDILNGYAWVGIEDGMLATYAAVIDGHEEVYDAIYEGKWLHDNHRYLTFHRIAISNQFRGRGLAQTFLQGLIEGHKGPDFRCDTHEKNVTMQHILNKLGYQYCGKVPLDGVRLAYQKIKEK---------------
General information:
TITO was launched using:
RESULT:
Template:
2PC1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -96340 for 1260 contacts (-76.5/contact) +
2D Compatibility (PS) -18348 + (NN) -9908 + (LL) 944
1D Compatibility (HY) -23600 + (ID) 8150
Total energy: -155402.0 ( -123.33 by residue)
QMean score : 0.499
(partial model without unconserved sides chains):
PDB file :
Tito_2PC1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2PC1-query.scw
PDB file :
Tito_Scwrl_2PC1.pdb
: