Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEKNWYVVHTYSGYENKVKANLEKRVESMGMSDKIFRVIVPEEEETEVKNGKTKTIKRKVFPGYVLVEIVMTDDSWYVVRNTPGVTGFVGSAGSGSKPTPLLPEEADRILKSMGMVEKRAEADFEIGETVMVKEGPFADFSGKVDEMDNDKGKAKVMVNMFGRETPVEVDFNQIEKL
2XHC Chain:A ((225-352))
-----------------------------------------------------KTKRRKLFPGYVFVEMIMNDEAYNFVRSVPYVMGFVSSGG---QPVPVKDREMRPILRLAGLEEY--ELGFKVGDMVKIISGPFEDFAGVIKEIDPERQELKVNVTIFGRETPVVLHVSEVEKI
General information:
TITO was launched using:
RESULT:
Template:
2XHC.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -33854 for 712 contacts (-47.5/contact) +
2D Compatibility (PS) -13004 + (NN) -6088 + (LL) 3924
1D Compatibility (HY) -11600 + (ID) 2650
Total energy: -63272.0 ( -88.87 by residue)
QMean score : 0.442
(partial model without unconserved sides chains):
PDB file :
Tito_2XHC.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2XHC-query.scw
PDB file :
Tito_Scwrl_2XHC.pdb
: