Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAISLLQGKKGLITGIINKRSIAYGIVKTLSEHGAESAVTYQNEIVKERLLSIAAELNVELVLNCDVANEGTIDDVFKSIEEKWGTLDFLVHAIAFSDKNELSGKYVNT-SLNNFQNAMNISCYSFTALAQRAEKMMPNGGSLLTLSYYGAEKVMPNYNVMGLCKAALEASVKYLACDLGPQNIRVNAISAGPIRTLASSGISDFHFISEWNRNNSPLRRNTTLEDVGKAALYLLSDLSSGTTGEILHVDSGYNVVGMKAIDSNIINSYQN
3PJD Chain:B ((2-256))
---GFLSGKRILVTGVASKLSIAYGIAQAMHREGAELAFTYQNDKLKGRVEEFAAQLGSDIVLQCDVAEDASIDTMFAELGKVWPKFDGFVHSIAFAPGDQLDGDYVNAVTREGFKIAHDISSYSFVAMAKACRSMLNPGSALLTLSYLGAERAIPNYNVMGLAKASLEANVRYMANAMGPEGVRVNAISAGPIRTLAASGIKDFRKMLAHCEAVTPIRRTVTIEDVGNSAAFLCSDLSAGISGEVVHVDGGFSIAAMNE-----------
General information:
TITO was launched using:
RESULT:
Template:
3PJD.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -161420 for 2158 contacts (-74.8/contact) +
2D Compatibility (PS) -27376 + (NN) -8440 + (LL) 1176
1D Compatibility (HY) -24000 + (ID) 6300
Total energy: -226360.0 ( -104.89 by residue)
QMean score : 0.482
(partial model without unconserved sides chains):
PDB file :
Tito_3PJD.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PJD-query.scw
PDB file :
Tito_Scwrl_3PJD.pdb
: