Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRVGPVGHQCAECVREGARAVRQPRTPFGGRQRSATPVVTYTLISLNALVFVMQVTVMGLERQLAL-WP-PAVASGQTYRLVTSAFLHYGAMHLLLNMWALYVVGPPLEMWLGRLRFGALYAVSA-LGGSVLVYLIAPLNTATAGASGAVFGLFGATFMVARR-----LHLDVRWVVALIVINLA--FTFLAPAISWQGHVGGLVTGALVAATYVYAPRERRNLIQATVTITVLVAFVVLIGWRTVDLLALFGGRLNLS
4NJN Chain:A ((91-272))
---------------------------------ERAGPVTWVMMIACVVVFIAMQILGDQEVMLWLAWPFDPTLKFEFWRYFTHALMHFSLMHILFNLLWWWYLGGAVEKRLGSGKLIVITLISALLSGYVQQKFSGPW---FGGLSGVVYALMGYVWLRGERDPQSGIYLQRGLIIFALIWIVAGWFDLFGMSMANGAHIAGLAVGLAMAFVDSLNA-----------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
4NJN.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -140376 for 1345 contacts (-104.4/contact) +
2D Compatibility (PS) -17404 + (NN) -3799 + (LL) 6028
1D Compatibility (HY) -14800 + (ID) 2100
Total energy: -172451.0 ( -128.22 by residue)
QMean score : 0.275
(partial model without unconserved sides chains):
PDB file :
Tito_4NJN.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4NJN-query.scw
PDB file :
Tito_Scwrl_4NJN.pdb
: