Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDQPWNANIHYDALLDAMVPLGTQCVLDVGCGDGLLAARLARRIPYVTAVDIDAPVLRRAQTRFANAPIR--WLHADIMTAELPNAG-FDAVVSNAALHHIEDTRTALSRLGGLVTPGGTLAVVTFVTPSLRNGLWHLTSWVACGMANRVKGKWEHSAPIKWPPPQTLHELRSHVRALLPGACIRRLLYGRVLVTWRAPV
4KDR Chain:A ((66-171))
-------------------------VLDVGCGGGILAESMAREGATVTGLDMGFEPLQVAKLHALESGIQVDYVQETVEEHAAKHAGQYDVVTCMEMLEHVPDPQSVVRACAQLVKPGGDV----FFSTLNRNGV-----------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
4KDR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -67947 for 753 contacts (-90.2/contact) +
2D Compatibility (PS) -11597 + (NN) -6403 + (LL) 7036
1D Compatibility (HY) -7600 + (ID) 1700
Total energy: -88211.0 ( -117.15 by residue)
QMean score : 0.444
(partial model without unconserved sides chains):
PDB file :
Tito_4KDR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4KDR-query.scw
PDB file :
Tito_Scwrl_4KDR.pdb
: