Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
METNLELQDITYQYDSGNKAQIVLRNLSYTFSEGTFYTILGPSGAGKTTLLSIAAGIDKPTSGKLIINKKVLNETMSLQSYRKSLSSIIFQTYNLIPYMTAVQNVYTA-MGIQHSQMKDKRKRAIELLKEVGLTDKQINSPVLKLSGGQQQRVTIARALSGNAPFIFADEPTGNLDHETSEHIIDLFRDLAHKKNKCVVMVTHDNHVASR-SDVILNLKGKTLI
4U00 Chain:A ((19-217))
----------------------VLKGIHLEVAPGEKLVIIGPSGSGKSTLIRTINRLEDFQEGEVVVDGLSVKDDRALREIRREVG-MVFQQFNLFPHMTVLENVTLAPMRVRRWPREKAEKKALELLERVGILDQARKYPA-QLSGGQQQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLDVMRDLA-QGGMTMVVVTHEMGFAREVADRVVFMDGGQIV
General information:
TITO was launched using:
RESULT:
Template:
4U00.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -90145 for 1550 contacts (-58.2/contact) +
2D Compatibility (PS) -21822 + (NN) -10899 + (LL) 1712
1D Compatibility (HY) -18400 + (ID) 3400
Total energy: -142954.0 ( -92.23 by residue)
QMean score : 0.522
(partial model without unconserved sides chains):
PDB file :
Tito_4U00.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4U00-query.scw
PDB file :
Tito_Scwrl_4U00.pdb
: