Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAISLLQGKKGLITGIINKRSIAYGIVKTLSEHGAESAVTYQNEIVKERLLSIAAELNVELVLNCDVANEGTIDDVFKSIEEKWGTLDFLVHAIAFSDKNELSGKYVNT-SLNNFQNAMNISCYSFTALAQRAEKMMPNGGSLLTLSYYGAEKVMPNYNVMGLCKAALEASVKYLACDLGPQNIRVNAISAGPIRTLASSGISDFHFISEWNRNNSPLRRNTTLEDVGKAALYLLSDLSSGTTGEILHVDSGYNVVGMKAIDSNIINSYQN
3PJE Chain:A ((2-256))
---GFLSGKRILVTGVASKLSIAYGIAQAMHREGAELAFTYQNDKLKGRVEEFAAQLGSDIVLQCDVAEDASIDTMFAELGKVWPKFDGFVHSISFAPGDQLDGDYVNAVTREGFKIAHDISSYSFVAMAKACRSMLNPGSALLTLSYLGAERAIPNYNVMGLAKASLEANVRYMANAMGPEGVRVNAISAGPIRTLAASGIKDFRKMLAHCEAVTPIRRTVTIEDVGNSAAFLCSDLSAGISGEVVHVDGGFSIAAMNE-----------
General information:
TITO was launched using:
RESULT:
Template:
3PJE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -168935 for 2177 contacts (-77.6/contact) +
2D Compatibility (PS) -27521 + (NN) -9141 + (LL) 1176
1D Compatibility (HY) -24000 + (ID) 6250
Total energy: -234671.0 ( -107.80 by residue)
QMean score : 0.491
(partial model without unconserved sides chains):
PDB file :
Tito_3PJE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PJE-query.scw
PDB file :
Tito_Scwrl_3PJE.pdb
: