Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSELNLTTDEARVSYGIGRQLGDQLRENPVPGMTLDAVLAGLSDAFAGIDSRVSGEALSASFQVIRERMQAEAQAKAEAAAGEGRAYLAENAKREGVTVLPSGLQFEVLSTGEGAKPSREDTVRTHYHGTLIDGTVFDSSYQRGQPAEFPVGG--VIAGWVEALQLMNAGSKWRLHVPSELAYGGQ-AVGSIPPHSVLVFDVELLEIL
4NNR Chain:B ((45-136))
-------------------------------------------------------------------------------------------------------------------KSRKGDVLHMHYTGKLEDGTEFDSSLPQNQPFVFSLGTGQVIKGWDQGLLGMCEGEKRKLVIPSELGYGERGAPPKIPGGATLVFEVELLKI-
General information:
TITO was launched using:
RESULT:
Template:
4NNR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -51971 for 611 contacts (-85.1/contact) +
2D Compatibility (PS) -9531 + (NN) -1489 + (LL) 7860
1D Compatibility (HY) -6800 + (ID) 2150
Total energy: -64081.0 ( -104.88 by residue)
QMean score : 0.483
(partial model without unconserved sides chains):
PDB file :
Tito_4NNR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4NNR-query.scw
PDB file :
Tito_Scwrl_4NNR.pdb
: