Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
NLYQFKNMIKCTVPSRSWWDFADYGCYCGRGGSGTPVDDLDRCCQVHDNCYNEAEKISGCWPYFKTYSYECSQGTLTCKGDNNACAASVCDCDRLAAICFAGAPYNDNNYNIDLKARCQ
3NJU Chain:A ((1-118))
NLYQFKNMIQCTVPSRSWADFADYGCYCGKGGSGTPVDDLDRCCQTHDNCYNEAENISGCRPYFKTYSYECTQGTLTCKGDNNACAASVCDCDRLAAICFAGAPYNDANYNIDLKARC-
General information:
TITO was launched using:
RESULT:
Template:
3NJU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -69624 for 884 contacts (-78.8/contact) +
2D Compatibility (PS) -12636 + (NN) -6442 + (LL) 120
1D Compatibility (HY) -15200 + (ID) 5500
Total energy: -109282.0 ( -123.62 by residue)
QMean score : 0.468
(partial model without unconserved sides chains):
PDB file :
Tito_3NJU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NJU-query.scw
PDB file :
Tito_Scwrl_3NJU.pdb
: