Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAISLLQGKKGLITGIINKRSIAYGIVKTLSEHGAESAVTYQNEIVKERLLSIAAELNVELVLNCDVANEGTIDDVFKSIEEKWGTLDFLVHAIAFSDKNELSGKYVN-TSLNNFQNAMNISCYSFTALAQRAEKMMPNGGSLLTLSYYGAEKVMPNYNVMGLCKAALEASVKYLACDLGPQNIRVNAISAGPIRTLASSGISDFHFISEWNRNNSPLRRNTTLEDVGKAALYLLSDLSSGTTGEILHVDSGYNVVGMKAIDSNIINSYQN
1I2Z Chain:B ((2-258))
---GFLSGKRILVTGVASKLSIAYGIAQAMHREGAELAFTYQNDKLKGRVEEFAAQLGSDIVLQCDVAEDASIDTMFAELGKVWPKFDGFVHSIGFAPGDQLDGDYVNAVTREGFKIAHDISSYSFVAMAKACRSMLNPGSALLTLSYLGAERAIPNYNVMGLAKASLEANVRYMANAMGPEGVRVNAISAGPIRTLAASGIKDFRKMLAHCEAVTPIRRTVTIEDVGNSAAFLCSDLSAGISGEVVHVDGGFSIAAMNE-----------
General information:
TITO was launched using:
RESULT:
Template:
1I2Z.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -170759 for 2188 contacts (-78.0/contact) +
2D Compatibility (PS) -27403 + (NN) -6202 + (LL) 1008
1D Compatibility (HY) -24000 + (ID) 6250
Total energy: -233606.0 ( -106.77 by residue)
QMean score : 0.460
(partial model without unconserved sides chains):
PDB file :
Tito_1I2Z.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1I2Z-query.scw
PDB file :
Tito_Scwrl_1I2Z.pdb
: