Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MFKVRQATEKDVVQIRDVATKAWFNTYLNIYAATTVNHLLEASYNEHHLKKRLQ----EQLFLVVEE-GNDIVGFANFIYG-------EELYLSAHYVKPESQHTGYGTALLNEGLSRFEDKF-EGVYLEVDNKNEEAVAYYKEQGFTILRSYQPEMYGEKLDLALMYKAF
2CY2 Chain:A ((1-167))
-VRIRRAGLEDLPGVARVLVDTWRATYRGVVPEAFLEGLSYEGQ-AERWAQRLKTPTWPGRLFVAESESGEVVGFAAFGPDRASGFPGYTAELWAIYVLPTWQRKGLGRALFHEGARLLQAEGYGRMLVWVLKENPKGRGFYEHLGGVLLGEREIELGGAKLWEVAYGF--
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) -67807 for 1157 contacts (-58.6/contact) +
2D Compatibility (PS) -16238 + (NN) 362 + (LL) 404
1D Compatibility (HY) -7200 + (ID) 1900
Total energy: -92379.0 ( -79.84 by residue)
QMean score : 0.478
(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
: