Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTIAKMIDHTALKPDTTKEQILTLTKEAREYGFASVCVNPTWVKLSAEQLAGAESVVCTVIGFPLGANTPEVKAFEVKDAIQNGAKEVDMVINIGALKDKDDELVERDIRAVVDVAKGKALVKVIIETCLLTDEEKVRACEIAVKAGTDFVKTSTGFSTGGATAEDIALMRKTVGPNIGVKASGGVRTKEDVEKMIEAGATRIGASAGVAIVSGEKPAKPDNY
3R13 Chain:A ((47-253))
------IEHTNLKPFATPDDIKKLCLEARENRFHGVCVNPCYVKLAREELEGTDVKVVTVVGFPLGANETRTKAHEAIFAVESGADEIDMVINVGMLKAKEWEYVYEDIRSVVESVKGK-VVKVIIETCYLDTEEKIAACVISKLAGAHFVKTSTGFGTGGATAEDVHLMKWIVGDEMGVKASGGIRTFEDAVKMIMYGADRIGTSSGVKIVQG---------
General information:
TITO was launched using:
RESULT:
Template:
3R13.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -105574 for 1856 contacts (-56.9/contact) +
2D Compatibility (PS) -23460 + (NN) -13944 + (LL) 1056
1D Compatibility (HY) -19200 + (ID) 6150
Total energy: -167272.0 ( -90.12 by residue)
QMean score : 0.593
(partial model without unconserved sides chains):
PDB file :
Tito_3R13.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3R13-query.scw
PDB file :
Tito_Scwrl_3R13.pdb
: