Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRDAALRYPNILFDLDGTLTDPREGITRSVQFALARLGIDEPDLARLEHFIGPPLLQCFMQTYGFDEARAWEAVNHYRERFRVTGLYENRVFDGIPELLEALVGRGHTLYVATSKPGVFAREIARHFAFDRHFKAIYGSELDGTRTHKEELIRHLLDSEGLAAEHCLMIGDRMHDLLGASRNGVACIGVGYGFGSEDELRAHQPTHYCADLAALRQVLESH
3MC1 Chain:A ((2-216))
-----SLYNYVLFDLDGTLTDSAEGITKSVKYSLNKFDIQVEDLSSLNKFVGPPLKTSFMEYYNFDEETATVAIDYYRDYFKAKGMFENKVYDGIEALLSSLKDYGFHLVVATSKPTVFSKQILEHFKLAFYFDAIVGSSLDGKLSTKEDVIRYAMESLNIKSDDAIMIGDREYDVIGALKNNLPSIGVTYGFGSYEELKNAGANYIVNSVDELHKKILEL
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) -157381 for 1895 contacts (-83.1/contact) +
2D Compatibility (PS) -24209 + (NN) -16796 + (LL) 520
1D Compatibility (HY) -21200 + (ID) 4700
Total energy: -223766.0 ( -118.08 by residue)
QMean score : 0.519
(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
: