Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQVRLAFPNEIDQIMLLIEEARAEIAKTGSDQWQKEDGYPNRNDIIDDILN-GYAWVGIEDGMLATYAAVIDGHEEVYDAIYEGKWLHDNHRYLTFHRIAISNQFRGRGLAQTFLQGLIE---GHK-GPDFRCDTHEKNVTMQHILNKLGYQYCGKVPLDGVRLAYQKIKEKGETSIYREIDERNPM
3KKW Chain:A ((25-164))
LSHRPAETGDLETVAGFPQDRDELFYCYPKAIWP-----FSVAQLAAAIAERRGSTVAVHDGQVLGFANFYQWQH---------------GDFCALGNMMVAPAARGLGVARYLIGVMENLAREQYKARLMKISCFNANAAGLLLYTQLGYQPRAIAERHDPDGRRVALIQMDKPLE----------
General information:
TITO was launched using:
RESULT:
Template:
3KKW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -67608 for 969 contacts (-69.8/contact) +
2D Compatibility (PS) -14534 + (NN) -4408 + (LL) 1964
1D Compatibility (HY) -4000 + (ID) 850
Total energy: -89436.0 ( -92.30 by residue)
QMean score : 0.478
(partial model without unconserved sides chains):
PDB file :
Tito_3KKW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KKW-query.scw
PDB file :
Tito_Scwrl_3KKW.pdb
: