Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDQHNLKEQLCFSLYNAQRQVNRYY---SNKVFKKYNLTYPQFLVLTILWDESPVNVKKVVTELALDTGTVSPLLKRMEQVDLIKRERSEVDQREVFIHLTDKS----ETIRPELSNASDKVASASSLSQDEVKELNRLLGKVIHAFDETKEK
4EM2 Chain:A ((38-167))
--------------FFNSFITIYRPYLKLTEPILEKHNIYYGQWLILRDIAKHQPTTLIEISHRRAIEKPTARKTLKALIENDLITVENSLEDKRQKFLTLTPKGHELYEIVCLDVQKLQQAVVAKTNISQDQMQETINVMNQI----------
General information:
TITO was launched using:
RESULT:
Template:
4EM2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -54461 for 731 contacts (-74.5/contact) +
2D Compatibility (PS) -12851 + (NN) -2805 + (LL) 1824
1D Compatibility (HY) -7200 + (ID) 1550
Total energy: -77043.0 ( -105.39 by residue)
QMean score : 0.517
(partial model without unconserved sides chains):
PDB file :
Tito_4EM2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4EM2-query.scw
PDB file :
Tito_Scwrl_4EM2.pdb
: