Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
-----MLDKSVPHISVIMVNHDATNYPEFHLPAGYSFCFYKDGLEEDWCRLQLETGQVLSMDSIRARFETEFGNEKEKLTKRCIFVKAPNGEIIGTAMLWDGNTFGKIES--RIHWVAVLDSHGGKGIAKALLSKILGLNKSK--FV-YLTTQTGSYQAIYLYRKFGFEKYVGKTPENWKTVNFQEEKETAWQIIENKIAEHQA
2CY2 Chain:A ((1-174))
VRIRRAGLEDLPGVARVLVDTWRATYRG---------------------VVPEAFLEGLSYEGQAERWAQRLKTPTWPG--RLFVAESESGEVVGFAAFGPDRASGFPGYTAELWAIYVLPTWQRKGLGRALFHEGARLLQAEGYGRMLVWVLKENPKGRGFYEHLGGVLL-------GEREIELGGAKLWEVAYGFDLGGHKW
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) -74815 for 1193 contacts (-62.7/contact) +
2D Compatibility (PS) -17751 + (NN) -3063 + (LL) 1132
1D Compatibility (HY) -2800 + (ID) 1100
Total energy: -98397.0 ( -82.48 by residue)
QMean score : 0.364
(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
: