Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRKIYATGKRKTAIAKVWLTPGKGELSINEQSLNQWLGGHEAIKMKVMQPLLLTKQEQSVDIKAVVFGGGYSAQAEALRHGISKALNAYDIAFRAILKPKGLLTRDSRVVERKKYGKRKARRSPQFSKR
4DUY Chain:I ((2-128))
-EQYYGTGRRKEAVARVFLRPGNGKVTVNGQDFNEYFQGL-VRAVAALEPLRAVDALGHFDAYITVRGGGKSGQIDAIKLGIARALVQYNPDYRAKLKPLGFLTRDARVVERKKYGKHKARRAPQYSKR
General information:
TITO was launched using:
RESULT:
Template:
4DUY.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -30951 for 918 contacts (-33.7/contact) +
2D Compatibility (PS) -13314 + (NN) -1417 + (LL) 312
1D Compatibility (HY) -7200 + (ID) 3000
Total energy: -55570.0 ( -60.53 by residue)
QMean score : 0.480
(partial model without unconserved sides chains):
PDB file :
Tito_4DUY.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4DUY-query.scw
PDB file :
Tito_Scwrl_4DUY.pdb
: