Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRDAALRYPNILFDLDGTLTDPREGITRSVQFALARLGIDEPDLARLEHFIGPPLLQCFMQTYGFDEARAWEAVNHYRERFRVTGLYENRVFDGIPELLEALVGRGHTLYVATSKPGVFAREIARHFAFDRHFKAIYGSELDGTRTHKEELIRHLLDSEGLAAEHCLMIGDRMHDLLGASRNGVACIGVGYGFGSEDELRAHQPTHYCADLAAL-RQVLESH
3MC1 Chain:A ((4-216))
-------YNYVLFDLDGTLTDSAEGITKSVKYSLNKFDIQVEDLSSLNKFVGPPLKTSFMEYYNFDEETATVAIDYYRDYFKAKGMFENKVYDGIEALLSSLKDYGFHLVVATSKPTVFSKQILEHFKLAFYFDAIVGSSLDGKLSTKEDVIRYAMESLNIKSDDAIMIGDREYDVIGALKNNLPSIGVTYGFGSYEELKNAGANYIVNSVDELHKKILEL-
General information:
TITO was launched using:
RESULT:
Template:
3MC1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -152800 for 1870 contacts (-81.7/contact) +
2D Compatibility (PS) -23906 + (NN) -16373 + (LL) 768
1D Compatibility (HY) -22400 + (ID) 4800
Total energy: -219511.0 ( -117.39 by residue)
QMean score : 0.495
(partial model without unconserved sides chains):
PDB file :
Tito_3MC1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3MC1-query.scw
PDB file :
Tito_Scwrl_3MC1.pdb
: