Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
METNLELQDITYQYDSGNKAQIVLRNLSYTFSEGTFYTILGPSGAGKTTLLSIAAGIDKPTSGKLIINKKVLN-ETMSLQSYRKSLSSIIFQTYNLIPYMTAVQNVYTA-MGIQHSQMKDKRKRAIELLKEVGLTDKQINSPVLKLSGGQQQRVTIARALSGNAPFIFADEPTGNLDHETSEHIIDLFRDLAHKKNKCVVMVTHDNHVASR-SDVILNLKGKTLI
3C41 Chain:K ((18-217))
----------------------VLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINLKAKDTNLNKVREEVG-MVFQRFNLFPHMTVLNNITLAPMKVRKWPREKAEAKAMELLDKVGLKDKAHAYPD-SLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLAN-EGMTMVVVTHEMGFAREVGDRVLFMDGGYII
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) -94238 for 1537 contacts (-61.3/contact) +
2D Compatibility (PS) -21375 + (NN) -8850 + (LL) 1732
1D Compatibility (HY) -20000 + (ID) 3450
Total energy: -146181.0 ( -95.11 by residue)
QMean score : 0.518
(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
: