Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDHKVPFNRPYMTGRELAYIAEAHSCGHLAGDGPFTRRSHAWLEQQTGCRKALLTPSCTAALEMMALLLDIEEGDEVILPSYTFVSTANAFVLRGGVPVFVDIRPDTLNIDETRIVDAITP-------RTKAIVPVHYAGVACEMDAIMKIATHHNLAVVEDAAQGAMASYRGRALGSIGDLGALSFHETKNV-ISGEGGALLVNS
4QGR Chain:B ((41-213))
---------------------------------GPEVAEFEKKLGEYLGVEHVIACANGTDALQMPLMTRGIGPGHAVFVPSFTFAATAEVVALVGAEPVFVDVDPDSYNMNVEQLEAAIAATIKEGRLEPKAIIPVDLFGLAASYNRITAIAEREGLFIIEDAAQSIGGKRDNVMCGAFGHVGATSFYPAKPLGCYGDGGAMFTN-
General information:
TITO was launched using:
RESULT:
Template:
4QGR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -122643 for 1405 contacts (-87.3/contact) +
2D Compatibility (PS) -17889 + (NN) -4316 + (LL) 1656
1D Compatibility (HY) -9600 + (ID) 2850
Total energy: -155642.0 ( -110.78 by residue)
QMean score : 0.467
(partial model without unconserved sides chains):
PDB file :
Tito_4QGR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4QGR-query.scw
PDB file :
Tito_Scwrl_4QGR.pdb
: