Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTRYKAQISYDGSAFSGFQRQP-NCRTVQEEIERTLKRLNSGNDVIIHGAGRTDAGVHAYGQVIHFDLPQARDVEKLRFGLDTQCPDDIDIVKVEQVSDDFHCRYDKHIKTYEFLVDIGRPKNPMMRNYATHYPYPVIIELMQEAIKDLVGTHDFTGFTASGTSVENKVRTIFDAKIQF---EASKNLLIFTFTGNGFLYKQVRNMVGTLLKIGNGRMPISQIKTILQAKNRDLAGPTAAGNGLYLKEIIYEDKECFSNFRK
1VS3 Chain:A ((1-249))
MRRLLLLCEYDGTLFAGLQRQGRGLRTVQGELERALPGIGALPKAV--AAGRTDAGVHALAMPFHVDVESAIPVEKVPEALNRLLPEDLKVVGAREVAPDFHARKDALWRAYRYRILVRPHPSPLLRHRALWVRRPLDLEAMEEALSLLLGRHNFLGFAKEETRPGE--RELLEARLQVAEGEAGLEVRLY-FRGKSFLRGQVRGMVGTLLEVGLGKRPPESLKAILKTADRRLAGPTAPAHGLYFVEAAYPEE--------
General information:
TITO was launched using:
RESULT:
Template:
1VS3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -133257 for 2003 contacts (-66.5/contact) +
2D Compatibility (PS) -26372 + (NN) -11400 + (LL) 1036
1D Compatibility (HY) -19200 + (ID) 4800
Total energy: -193993.0 ( -96.85 by residue)
QMean score : 0.389
(partial model without unconserved sides chains):
PDB file :
Tito_1VS3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1VS3-query.scw
PDB file :
Tito_Scwrl_1VS3.pdb
: