Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNQTNLDDTLDVLNDLLQTSKDGEAGFHACAEDLRD---PQLKAAMLEQSRDCAAAADELERIVLELGGKPKDSTSFAGDLHRRWVDLKSLVTGKDEEAVLNECERGEDVAKHRYQAALEKSL---PAEIHQVIERQYQG-VLRHHDRVRALRDARA
3R2K Chain:A ((3-140))
----GHPEVIDYLNTLLTGELAARDQYFIHSRMYEDWGFSKLYERLNHEMEEETQHADALLRRILLLEGTPRMRPDD-------IH------PGTTVPEMLEADLKLERHVRAALAKGIALCEQHKDFVSRDILKAQLADTEEDHAYWLEQQLGLIA
General information:
TITO was launched using:
RESULT:
Template:
3R2K.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -4647 for 997 contacts (-4.7/contact) +
2D Compatibility (PS) -14817 + (NN) -10030 + (LL) 1120
1D Compatibility (HY) -3200 + (ID) 1000
Total energy: -32574.0 ( -32.67 by residue)
QMean score : 0.624
(partial model without unconserved sides chains):
PDB file :
Tito_3R2K.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3R2K-query.scw
PDB file :
Tito_Scwrl_3R2K.pdb
: