Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MACIIRRARLGDEVNLAYIQTESWKAAFGKILPEDIIQKTTEIEPAITMYQQLLHKEVGKGYILEVDSNPHCMAWWDKSREDGMLDY---AELICIHSLKEGWGKGYGSQMMNHVLSEIQQAGYNKV-ILWVFTENTRARKFYDRFGFSFKGKSKTYF---EKEEMCYEKILH----
2CY2 Chain:A ((1-174))
--VRIRRAGLEDLPGVARVLVDTWRATYRGVVPEAFLEGLSYEGQAERWAQRLKTPTWPGRLFVAESESGEVVGFAAFGPDRASGFPGYTAELWAIYVLPTWQRKGLGRALFHEGARLLQAEGYG-RMLVWVLKENPKGRGFYEHLGGVLLGEREIELGGAKLWEVAYGFDLGGHKW
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) -71023 for 1206 contacts (-58.9/contact) +
2D Compatibility (PS) -17668 + (NN) -867 + (LL) 416
1D Compatibility (HY) -8400 + (ID) 1850
Total energy: -99392.0 ( -82.41 by residue)
QMean score : 0.461
(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
: