Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKLFDETNEFEAKYYRTIWYGYIDNEFAPELSDEIKQLIQRDLAEKTANPIEATHWVFYNETQAGDAIGDKVRSSIMVRYREEKFVVHYNVSDFQFVTVFDVATAFKDQLEQALNA
2PDK Chain:A ((43-76))
---------------------------------------------------IDCAH-VYQNENEVGVAIQEKLREQVV--KREELFIV-----------------------------
General information:
TITO was launched using:
RESULT:
Template:
2PDK.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -5395 for 157 contacts (-34.4/contact) +
2D Compatibility (PS) -3208 + (NN) 3520 + (LL) 6868
1D Compatibility (HY) -3200 + (ID) 750
Total energy: -2165.0 ( -13.79 by residue)
QMean score : 0.015
(partial model without unconserved sides chains):
PDB file :
Tito_2PDK.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2PDK-query.scw
PDB file :
Tito_Scwrl_2PDK.pdb
: