Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEKNWYVVHTYSGYENKVKANLEKRVESMGMQDKIFRVVVPEEEETDIKNGKKKVVKKKVFPGYVLVEIVMTDDSWYVVRNTPGVTGFVGSAGSGSKPTPLLPGEAETILKRMGMDERKTDIDFELKETVKVIDGPFANFTGSIEEIDYDKSKVKVFVNMFGRETPVELEFTQIDKL
2OUG Chain:A ((2-156))
--QSWYLLYCKRGQLQRAQEHL---------ERQAVNCLAPMITLEKIVRGKRTAVSEPLFPNYLFVEFDPEVIHTTTINATRGVSHFVRF---GASPAIVPSAVIHQLSVYK---------------KVIITEGAFEGFQAIFTEPDGEA-RSMLLLNLINKEIKHSVKN------
General information:
TITO was launched using:
RESULT:
Template:
2OUG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -44427 for 1000 contacts (-44.4/contact) +
2D Compatibility (PS) -15061 + (NN) -4939 + (LL) 2460
1D Compatibility (HY) -5600 + (ID) 1450
Total energy: -69017.0 ( -69.02 by residue)
QMean score : 0.316
(partial model without unconserved sides chains):
PDB file :
Tito_2OUG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2OUG-query.scw
PDB file :
Tito_Scwrl_2OUG.pdb
: