Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQQSLAVKTFEDLFAELGDRARTRPADSTTVAALDGGVHALGKKLLEEAGEVWLAAEHESNDALAEEISQLLYWT---QVLMISR-GLSLDDVYRKL
3CRA Chain:A ((2-107))
-------NQIDRLLTIMQRLRDPENGCPWDKE---QTFATIAPYTLEETYEVLDAIAREDFDDLRGELGDLLFQVVFYAQMAQEEGRFDFNDICAA-
General information:
TITO was launched using:
RESULT:
Template:
3CRA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -16055 for 449 contacts (-35.8/contact) +
2D Compatibility (PS) -9058 + (NN) -7908 + (LL) 1352
1D Compatibility (HY) -4800 + (ID) 700
Total energy: -37169.0 ( -82.78 by residue)
QMean score : 0.541
(partial model without unconserved sides chains):
PDB file :
Tito_3CRA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3CRA-query.scw
PDB file :
Tito_Scwrl_3CRA.pdb
: