Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAISLLQGKKGLITGIINKRSIAYGIVKTLSEHGAESAVTYQNEIVKERLLSIAAELNVELVLNCDVANEGTIDDVFKSIEEKWGTLDFLVHAIAFSDKNELSGKYVNT-SLNNFQNAMNISCYSFTALAQRAEKMMPNGGSLLTLSYYGAEKVMPNYNVMGLCKAALEASVKYLACDLGPQNIRVNAISAGPIRTLASSGISDFHFISEWNRNNSPLRRNTTLEDVGKAALYLLSDLSSGTTGEILHVDSGYNVVGMKAIDSNIINSYQN
4CV3 Chain:A ((2-256))
---GFLSGKRILVTGVASKLSIAYGIAQAMHREGAELAFTYQNDKLKGRVEEFAAQLGSDIVLQCDVAEDASIDTMFAELGKVWPKFDGFVHSIGFAPGDQLDGDYVNAVTREGFKIAHDISSYSFVAMAKACRSMLNPGSALLTLSYLGAERAIPNYNVMGLAKASLEANVRYMANAMGPEGVRVNAISAGPI-----------------CEAVTPIRRTVTIEDVGNSAAFLCSDLSAGISGEVVHVDGGFSIAAMN------------
General information:
TITO was launched using:
RESULT:
Template:
4CV3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -160617 for 2000 contacts (-80.3/contact) +
2D Compatibility (PS) -25519 + (NN) -7261 + (LL) 2384
1D Compatibility (HY) -23200 + (ID) 5800
Total energy: -220013.0 ( -110.01 by residue)
QMean score : 0.554
(partial model without unconserved sides chains):
PDB file :
Tito_4CV3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4CV3-query.scw
PDB file :
Tito_Scwrl_4CV3.pdb
: