Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKEIVIASNNQGKINDFKVIFPDYHVIGISELIPDFDVEETGSTFEENAILKSEAAAKALNKTVIADDSGLEVFALNGEPGIYSARYAGENKSDEANIEKLLNKLGNTTDRRAQFVCVISMSGPDMETKVFKGTVSGEIADGKYGENGFGYDPIFYVPKLDKTMAQLSKEQKGQISHRRNAINLLQAFLEGEKNV
2DVN Chain:B ((62-181))
----------------------------------------------------------------MIEDSGLFIESLKGFPGVYSSYVY-----RTIGLEGILKLMEGAEDRRAYFKSVIGFY-IDGKAYKFSGVTWGRISNEKRGTHGFGYDPIFIPEGSEKTFAEMTIEEKNALSHRGKA---LKAFFEWLK--
General information:
TITO was launched using:
RESULT:
Template:
2DVN.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -30120 for 879 contacts (-34.3/contact) +
2D Compatibility (PS) -12936 + (NN) -6886 + (LL) 4760
1D Compatibility (HY) -7600 + (ID) 2400
Total energy: -55182.0 ( -62.78 by residue)
QMean score : 0.494
(partial model without unconserved sides chains):
PDB file :
Tito_2DVN.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2DVN-query.scw
PDB file :
Tito_Scwrl_2DVN.pdb
: