Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSNQQDVVKELNQQVANWTVAYTKLHNFHWYVKGPNFFSLHVKFEELYNEASQYVDELAERILAVGGNPVGTLTECLEQSIVKEAA--KGYSAEQMVEELSQDFTNISKQLENAIEIAGNAGDDVSEDMFIGMQTSVDKHNWMFKSYLS
2IY4 Chain:A ((6-150))
---SVDTKEFLNHQVANLNVFTVKIHQIHWYMRGHNFFTLHEKMDDLYSEFGEQMDEVAERLLAIGGSPFSTLKEFLENASVEEAPYTKPKTMDQLMEDLVGTLELLRDEYQQGIELTDKEGDNVTNDMLIAFKASIDKHIWMFKAFL-
General information:
TITO was launched using:
RESULT:
Template:
2IY4.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -38359 for 1048 contacts (-36.6/contact) +
2D Compatibility (PS) -15533 + (NN) -8151 + (LL) 72
1D Compatibility (HY) -14800 + (ID) 3100
Total energy: -79871.0 ( -76.21 by residue)
QMean score : 0.538
(partial model without unconserved sides chains):
PDB file :
Tito_2IY4.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2IY4-query.scw
PDB file :
Tito_Scwrl_2IY4.pdb
: