Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNRLSWEDYFMANAELISKRSTCDRAFVGAVLVKNNRIIATGYNGGVSETDNC-----------NEVGHYMEDGHCIR-------------------TVHAEMNALIQCAKEGISTNNTEIYVTHFPCINCTKALLQAGVKKITYKANY-RPHPFAIELMEAKGVAYVQHDVPEVTLGMEE
1VQ2 Chain:A ((10-179))
-------------AYLVSQESKCCSWKVGAVIEKNGRIISTGYNGSPAGGVNCCDYAAEQGWLLNK------------RFVLAKEHRSAHSEWSSKNEIHAELNAILFAAENGSSIEGATMYVTLSPCPDCAKAIAQSGIKKLVYCETYDKNKPGWDDILRNAGIEVF--NVPKKNLNKLN
General information:
TITO was launched using:
RESULT:
Template:
1VQ2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -82168 for 920 contacts (-89.3/contact) +
2D Compatibility (PS) -13249 + (NN) -8742 + (LL) 1844
1D Compatibility (HY) -8000 + (ID) 2450
Total energy: -112765.0 ( -122.57 by residue)
QMean score : 0.569
(partial model without unconserved sides chains):
PDB file :
Tito_1VQ2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1VQ2-query.scw
PDB file :
Tito_Scwrl_1VQ2.pdb
: