Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPDLSTWNLTIPQGRPAITISTSQLQRDYRSDYFQRTADG-IRFWVPVNGSHTRNSEFPRSELRETLS-SGRPYNWRYARADNWLEATLRIEAVPSTRRMIIGQIHSDGSNSGQAAPLVKLLYQLRLDQGRVQALVRERPDDGGTRAYTLMDGIPLGQPFSYRIGVSRSGLLSVSVNGSALEQQL---DPQWAYQGLYFKAGLYLQDNRGPSSEGGRAT--FSELRVSHQ
2CWS Chain:A ((11-227))
--DLSHWKLQLPDAN-TTEISSANLGLGYTSQYFYTDTDGAMTFWAPTTGGTTANSSYPRSELREMLDPSNSKVNWGW-QGTHTMKLSGKTVQLPSSGKIIVAQIHGIMDDGTNAPPLVKAVFQ----DGQLDMQVKQNSDGTGSDVHNYFTGIKLGDLYNMEIRVT-DGVAYVTMNGDTRSVDFVGKDAGWKNLKYYFKAGNYVQDN---TSTGGSAIAKLYSLSVSHS
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) -102260 for 1690 contacts (-60.5/contact) +
2D Compatibility (PS) -21842 + (NN) -5652 + (LL) 336
1D Compatibility (HY) -15200 + (ID) 3900
Total energy: -148518.0 ( -87.88 by residue)
QMean score : 0.435
(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
: