Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDHKVPFNRPYMTGRELAYIAEAHSCGHLAGDGPFTRRSHAWLEQQTGCRKALLTPSCTAALEMMALLLDIEEGDEVILPSYTFVSTANAFVLRGGVPVFVDIRPDTLNIDETRIVDAITP-------RTKAIVPVHYAGVACEMDAIMKIATHHNLAVVEDAAQGAMASYRGRALGSIGDLGALSFHETKNVI-SGEGGALLVNS
4QGR Chain:A ((18-213))
---------RARIENRLNAAISKVVAEGRY-ILGPEVAEFEKKLGEYLGVEHVIACANGTDALQMPLMTRGIGPGHAVFVPSFTFAATAEVVALVGAEPVFVDVDPDSYNMNVEQLEAAIAATIKEGRLEPKAIIPVDLFGLAASYNRITAIAEREGLFIIEDAAQSIGGKRDNVMCGAFGHVGATSFYPAKPLGCYGDGGAMFTN-
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) -123673 for 1517 contacts (-81.5/contact) +
2D Compatibility (PS) -20466 + (NN) -5908 + (LL) 432
1D Compatibility (HY) -8400 + (ID) 3100
Total energy: -161115.0 ( -106.21 by residue)
QMean score : 0.377
(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
: