Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
NLYQFKNMIKCTVP-SRSWWDFADYGCYCGRGGSGTPVDDLDRCCQVHDNCYNEAEKISGC--W---PYFKTYSYECSQGTLTCKGDNNACAASVCDCDRLAAICFAGAPYNDNNYNIDLKARCQ
1G4I Chain:A ((1-123))
ALWQFNGMIKCKIPSSEPLLDFNNYGCYCGLGGSGTPVDDLDRCCQTHDNCYKQAKKLDSCKVLVDNPYTNNYSYSCSNNEITCSSENNACEAFICNCDRNAAICFSKVPYNKEHKNLDKK-NC-
General information:
TITO was launched using:
RESULT:
Template:
1G4I.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -67107 for 886 contacts (-75.7/contact) +
2D Compatibility (PS) -12242 + (NN) -4919 + (LL) 264
1D Compatibility (HY) -13600 + (ID) 3500
Total energy: -101104.0 ( -114.11 by residue)
QMean score : 0.456
(partial model without unconserved sides chains):
PDB file :
Tito_1G4I.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1G4I-query.scw
PDB file :
Tito_Scwrl_1G4I.pdb
: