Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVAERAGHQWCLFLDRDGVINRQVVGDYVRNWRQFEWLPGAARALKKLRAWAPYIVVVTNQQGVGAGLMSAVDVMVIHRHLQMQLASDGVLIDGFQVCPHHRS-------QRCGCRKPRPGLVL---DWLGRHPDSEPLLSIVVGDSLSDLELAHNVAAAAGACASVQIG---GASSGGVADASFDSLWEFAVAVGHARGERG
3ESR Chain:A ((28-203))
-----------IFLDRDGTIN--VDHGYVHEIDNFEFIDGVIDAMRELKKMGFALVVVTNQSGIARGKFTEAQFETLTEWMDWSLADRDVDLDGIYYCPHHPQGSVEEFRQVCDCRKPHPGMLLSARDYL--HIDMA--ASYMVGDKLEDMQAA--VAANVGTKVLVRTGKPITPEAENAADWVLNSLADLPQAI--------
General information:
TITO was launched using:
RESULT:
Template:
3ESR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -125728 for 1323 contacts (-95.0/contact) +
2D Compatibility (PS) -17791 + (NN) -9797 + (LL) 1220
1D Compatibility (HY) -13200 + (ID) 3200
Total energy: -168496.0 ( -127.36 by residue)
QMean score : 0.386
(partial model without unconserved sides chains):
PDB file :
Tito_3ESR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3ESR-query.scw
PDB file :
Tito_Scwrl_3ESR.pdb
: