Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDHKVPFNRPYMTGRELAYIAEAHSCGHLAGDGPFTRRSHAWLEQQTGCRKALLTPSCTAALEMMALLLDIEEGDEVILPSYTFVSTANAFVLRGGVPVFVDIRPDTLNIDETRIVDAITPRTKAIVPVHYAGVACEMDAIMKIATHHNLAVVEDAAQGAMASYRGRALGSIGDLGALSFHETKNV-ISGEGGALLVNS
3NU7 Chain:B ((34-199))
---------------------------------GPEVTELEDRLADFVGAKYCISCANGTDALQIVQMALGVGPGDEVITPGFTYVATAETVALLGAKPVYVDIDPRTYNLDPQLLEAAITPRTKAIIPVSLYGQCADFDAINAIASKYGIPVIEDAAQSFGASYKGKRSCNLSTVACTSFFPSKPLGCYGDGGAIFTN-
General information:
TITO was launched using:
RESULT:
Template:
3NU7.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -124416 for 1426 contacts (-87.2/contact) +
2D Compatibility (PS) -17853 + (NN) -6511 + (LL) 1656
1D Compatibility (HY) -9600 + (ID) 3200
Total energy: -159924.0 ( -112.15 by residue)
QMean score : 0.483
(partial model without unconserved sides chains):
PDB file :
Tito_3NU7.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NU7-query.scw
PDB file :
Tito_Scwrl_3NU7.pdb
: