Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGSSHHHHHHSSGLVPRGSHMKELSFGARAELPRIHPVASKLLRLMQKKETNLCLSADVSLARELLQLADALGPSICMLKTHVDILNDFTLDVMKELITLAKCHEFLIFEDRKFADIGNTVKKQYEGGIFKIASWADLVNAHVVPGSGVVKGLQEVGLPLHRGCLLIAEMSSTGSLATGDYTRAAVRMAEEHSEFVVGFISGSRVSMKPEFLHLTPGVQLEAGGDNLGQQYNSPQEVIGKRGSDIIIVGRGIISAADRLEAAEMYRKAAWEAYLSRLGV
4HKP Chain:B ((56-311))
----------------------ELSFGARAELPRIHPVASKLLRLMQKKETNLCLSADVSLARELLQLADALGPSICMLKTHVDILNDFTLDVMKELITLAKCHEFLIFEDRKFADIGNTVKKQYEGGIFKIASWADLVNAHVVPGSGVVKGLQEVGLPLHRGCLLIAEMSSTGSLATGDYTRAAVRMAEEHSEFVVGFISGSRVSMKPEFLHLTPGVQLEAGGDNLGQQYNSPQEVIGKRGSDIIIVGRGIISAADRLEAAEMYRKAAWEAYLSRLG-
General information:
TITO was launched using:
RESULT:
Template:
4HKP.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -210258 for 2254 contacts (-93.3/contact) +
2D Compatibility (PS) -27425 + (NN) -10870 + (LL) 652
1D Compatibility (HY) -37200 + (ID) 12800
Total energy: -297901.0 ( -132.17 by residue)
QMean score : 0.535
(partial model without unconserved sides chains):
PDB file :
Tito_4HKP.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4HKP-query.scw
PDB file :
Tito_Scwrl_4HKP.pdb
: