Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEKNWYVV------HTYSGYENKVKANLEKRVESMGMQDKI---------FRVVVPEEEETDIKNGKKKVVKKKVFPGYVLVEIVMTDDSWYVVRNTPGVTGFVGSAGSGSKPTPLLPGEAETILKRMGMDERKTDIDFELKETVKVIDGPFANFTGSIEEIDYDKSKVKVFVNMFGRETPVELEFTQIDKL
2XHC Chain:A ((170-352))
-DVYYIPLDVFDRDRIKKGKEVKQGEML---------AEARKFFAKVSGRVEVVDYSTRK---EIRIYKTKRRKLFPGYVFVEMIMNDEAYNFVRSVPYVMGFVSS---GGQPVPVKDREMRPILRLAGLEEY--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) -34917 for 843 contacts (-41.4/contact) +
2D Compatibility (PS) -17291 + (NN) -2702 + (LL) 1228
1D Compatibility (HY) -13200 + (ID) 2900
Total energy: -69782.0 ( -82.78 by residue)
QMean score : 0.410
(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
: