Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MFFRMLKEDIDTVFDQDPAARSYFEVILTYSGLHAIWAHRIAHALYKRKFYFLARLISQVSRFFTGIEIHPGATIGRRFFIDHGMGVVIGETCEIGNNVTVFQGVTLGGTGKEKGKRHPTIKDDALIATGAKVLGSITVGEGSKIGAGSVVLHDVPDFSTVVGIPGRVVVQNGKKVRRDLNHQDLPDPVADRFKSLEQQILELKAELEDRKERINQK
4H7O Chain:B ((84-244))
--------DICATVNRDPAVSMYSMPLLYLKGYHALQGYRVANWLWRQGRKALATYFQNQISVACQVDIHPAARIGRGIMLDHATGIVIGETAVVEDDVSILQDVTLGGTGKECGDRHPKIREGVMIGAGAKILGNIEVGEGAKIGSGSVVLQAVPPHTTVAGVPARIV------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
4H7O.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -122583 for 1318 contacts (-93.0/contact) +
2D Compatibility (PS) -17352 + (NN) -6293 + (LL) 4532
1D Compatibility (HY) -13200 + (ID) 3650
Total energy: -158546.0 ( -120.29 by residue)
QMean score : 0.585
(partial model without unconserved sides chains):
PDB file :
Tito_4H7O.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4H7O-query.scw
PDB file :
Tito_Scwrl_4H7O.pdb
: