Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPNDMEDHLLTVLSVASGVPKEEISRDSRM-EDLAFDSLVVSELSLKLRKEFGVTGVDDELDLLETVDELFQLVEKHRAA
2CGQ Chain:A ((2-72))
-----EEAINATIQRILRTDR-GITANQVLVDDLGFDSLKLFQLITELEDEFDIAISFRDAQNIKTVGDVYTSVAVW---
General information:
TITO was launched using:
RESULT:
Template:
2CGQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -36328 for 452 contacts (-80.4/contact) +
2D Compatibility (PS) -7506 + (NN) -4803 + (LL) 612
1D Compatibility (HY) -2800 + (ID) 750
Total energy: -51575.0 ( -114.10 by residue)
QMean score : 0.675
(partial model without unconserved sides chains):
PDB file :
Tito_2CGQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2CGQ-query.scw
PDB file :
Tito_Scwrl_2CGQ.pdb
: