Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKRNYHVKFLNEKDVELAEAVCAASEDY----YLIEQDKSASKSDALKIITEIPDGKTRFDKFVLAVLDENEKPIGLVDIVSDY---PRKGRWFIGLLLLTPDARHNGLGKVLHQTIKEWASDGGADS-LALGVLAENEKGRGFFEHLGYTKEETKQASYGGKEQEVSIFTLAIK----
2CY2 Chain:A ((1-174))
----VRIRRAGLEDLPGVARVLVDTWRATYRGVVPEAFLEGLSYEGQAERWAQRLKTPTWPGRLFVAESESGEVVGFAAFGPDRASGFPGYTAELWAIYVLPTWQRKGLGRALFHEGARLLQAEGYGRML-VWVLKENPKGRGFYEHLGGVLLGEREIELGGAKLWEVAYGFDLGGHKW
General information:
TITO was launched using:
RESULT:
Template:
2CY2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -62471 for 1199 contacts (-52.1/contact) +
2D Compatibility (PS) -17640 + (NN) -6524 + (LL) 436
1D Compatibility (HY) -3200 + (ID) 1400
Total energy: -90799.0 ( -75.73 by residue)
QMean score : 0.475
(partial model without unconserved sides chains):
PDB file :
Tito_2CY2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2CY2-query.scw
PDB file :
Tito_Scwrl_2CY2.pdb
: