Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKLFDETNEFEAKYYRTIWYGYIDNEFAPELSDEIKQLIQRDLAEKTANPIEATHWVFYNETQAGDAIGDKVRSSIMVRYREEKFVVHYNVSDFQFVTVFDVATAFKDQLEQALNA
2PDH Chain:A ((43-76))
---------------------------------------------------IDCAH-VYQNENEVGVAIQEKLREQVV--KREELFIV-----------------------------
General information:
TITO was launched using:
RESULT:
Template:
2PDH.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -3380 for 153 contacts (-22.1/contact) +
2D Compatibility (PS) -3208 + (NN) 3520 + (LL) 6868
1D Compatibility (HY) -3200 + (ID) 750
Total energy: -150.0 ( -0.98 by residue)
QMean score : 0.085
(partial model without unconserved sides chains):
PDB file :
Tito_2PDH.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2PDH-query.scw
PDB file :
Tito_Scwrl_2PDH.pdb
: