Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTRYKAQISYDGSAFSGFQRQP-NCRTVQEEIERTLKRLNSGNDVIIHGAGRTDAGVHAYGQVIHFDLPQARDVEKLRFGLDTQCPDDIDIVKVEQVSDDFHCRYDKHIKTYEFLVDIGRPKNPMMRNYATHYPYPVIIELMQEAIKDLVGTHDFTGFTASGTSVENKVRTIFDAKIQFEAS--KNLLIFTFTGNGFLYKQVRNMVGTLLKIGNGRMPISQIKTILQAKNRDLAGPTAAGNGLYLKEIIYEDKECFSNFRK
1VS3 Chain:A ((1-248))
MRRLLLLCEYDGTLFAGLQRQGRGLRTVQGELERALPGIGA--LPKAVAAGRTDAGVHALAMPFHVDVESAIPVEKVPEALNRLLPEDLKVVGAREVAPDFHARKDALWRAYRYRILVRPHPSPLLRHRALWVRRPLDLEAMEEALSLLLGRHNFLGFAKEET--RPGERELLEARLQVAEGEAGLEVRLYFRGKSFLRGQVRGMVGTLLEVGLGKRPPESLKAILKTADRRLAGPTAPAHGLYFVEAAYPEE--------
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) -123162 for 2005 contacts (-61.4/contact) +
2D Compatibility (PS) -26514 + (NN) -12292 + (LL) 392
1D Compatibility (HY) -17200 + (ID) 4700
Total energy: -183476.0 ( -91.51 by residue)
QMean score : 0.394
(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
: