Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPDLSTWNLTIPQGRPAITISTSQLQRDYRSDYFQRTA-DGIRFWVPVNGSHTRNSEFPRSELRETLSSGR-PYNWRYARADNWLEATLRIEAVPSTRRMIIGQIHSDGSNSGQAAPLVKLLYQLRLDQGRVQALVRERPDDGGTRAYTLMDGIPLGQPFSYRIGVSRSGLLSVSVNGSALEQ---QLDPQWAYQGLYFKAGLYLQDNRGPSSEGGRATFSELRVSHQ
2CWS Chain:A ((9-228))
NFDLSHWKLQLPDANT-TEISSANLGLGYTSQYFYTDTDGAMTFWAPTTGGTTANSSYPRSELREMLDPSNSKVNWGWQ-GTHTMKLSGKTVQLPSSGKIIVAQIHGIMDDGTNAPPLVKAVFQD----GQLDMQVKQNSDGTGSDVHNYFTGIKLGDLYNMEIRVT-DGVAYVTMNGDTRSVDFVGKDAGWKNLKYYFKAGNYVQDNTSTG-GSAIAKLYSLSVSHS
General information:
TITO was launched using:
RESULT:
Template:
2CWS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -95648 for 1766 contacts (-54.2/contact) +
2D Compatibility (PS) -22321 + (NN) -7892 + (LL) 636
1D Compatibility (HY) -13600 + (ID) 3600
Total energy: -142425.0 ( -80.65 by residue)
QMean score : 0.403
(partial model without unconserved sides chains):
PDB file :
Tito_2CWS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2CWS-query.scw
PDB file :
Tito_Scwrl_2CWS.pdb
: