Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTILSVQHVSKTYGKKHTFQALKDINFDIQKGEFVAIMGPSGSGKTTLLNVLSSIDQISSGSVIANGQELNKLNQKALAKFRKESLGFIFQDYSILPTLTVKENIML-PLSVQKMSKATMEENYKAITTALGIYDLGNKYPSELSGGQQQRTAAARAFVHKPQIIFADEPTGALDSKSANDLLQRLEEMNKSFDTTIVMVTHD-PVAASFAERVIMLKDGQIHTQLYQEGRSKQAFYEDIVHLQSVLGGVSNDI
3C41 Chain:J ((1-226))
LQMIDVHQLKKSFG---SLEVLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINL-KAKDTNLNKVREE-VGMVFQRFNLFPHMTVLNNITLAPMKVRKWPREKAEAKAMELLDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANE-GMTMVVVTHEMGFAREVGDRVLFMDGGYI----IEEGKPEDLF------------------
General information:
TITO was launched using:
RESULT:
Template:
3C41.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -105154 for 1825 contacts (-57.6/contact) +
2D Compatibility (PS) -24182 + (NN) -9555 + (LL) 1652
1D Compatibility (HY) -24000 + (ID) 4050
Total energy: -165289.0 ( -90.57 by residue)
QMean score : 0.456
(partial model without unconserved sides chains):
PDB file :
Tito_3C41.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3C41-query.scw
PDB file :
Tito_Scwrl_3C41.pdb
: