Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MFKVRQATEKDVVQIRDVATKAWFNTYLNIYAATTVNHLLEASYNEHHLKKRLQEQ----LFLVVEEGNDIVGFANFI-------YGEELYLSAHYVKPESQHTGYGTALLNEGLSRFEDKFEGV-YLEVDNKNEEAVAYYKEQGFTILRSYQPEMYGEKLDLALMYKAF-----
2CY2 Chain:A ((1-174))
-VRIRRAGLEDLPGVARVLVDTWRATYRGVVPEAFLEGLSYEGQAERWAQRLKTPTWPGRLFVAESESGEVVGFAAFGPDRASGFPGYTAELWAIYVLPTWQRKGLGRALFHEGARLLQAEGYGRMLVWVLKENPKGRGFYEHLGGVLLGEREIELGGAKLWEVAYGFDLGGHKW
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) -63586 for 1152 contacts (-55.2/contact) +
2D Compatibility (PS) -16544 + (NN) 122 + (LL) 208
1D Compatibility (HY) -5200 + (ID) 2000
Total energy: -87000.0 ( -75.52 by residue)
QMean score : 0.417
(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
: