Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDHKVPFNRPYMTGRELAYIAEAHSCGHLAGDGPFTRRSHAWLEQQTGCRKALLTPSCTAALEMMALLLDIEEGDEVILPSYTFVSTANAFVLRGGVPVFVDIRPDTLNIDETRIVDAITPRTKAIVPVHYAGVACEMDAIMKIATHHNLAVVEDAAQGAMASYRGRALGSIGDLGALSFHETKNV-ISGEGGALLVNS
3NU7 Chain:A ((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) -129105 for 1425 contacts (-90.6/contact) +
2D Compatibility (PS) -17920 + (NN) -6569 + (LL) 1656
1D Compatibility (HY) -9600 + (ID) 3200
Total energy: -164738.0 ( -115.61 by residue)
QMean score : 0.437
(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
: