Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKELRSKLEKDYGIVFANQELLDTAFTHTSYANEHRLL---NISHNERLEFLGDAVLQLLISQYLFTKYPQKAEGDLSKLRSMIVREESLAGFSRLCGFDHYIKLGKGEEKSGGRNRDTILGDLFEAFLGALLLDKGVEVVHAFVNKVMIPHVEKGTY-ERVKDYKTSLQELLQSHGDVKIDYQVTNESGPAHAKEFEVTVSVNQENLSQGIGRSKKAAEQDAAKNALATLQ
1O0W Chain:A ((6-235))
-RKIVEEFQKETGINFKNEELLFRALCHSSYANEQNQAGRKDVESNEKLEFLGDAVLELFVCEILYKKYPEAEVGDLARVKSAAASEEVLAMVSRKMNLGKFLFLGKGEEKTGGRDRDSILADAFEALLAAIYLDQGYEKIKELFEQEFEFYIEKIMKGEMLFDYKTALQEIVQSEHKVPPEYILVRTEKNDGDRIFVVEVRVNGKTIATGKGRTKKEAEKEAARIAYEKLL
General information:
TITO was launched using:
RESULT:
Template:
1O0W.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -65271 for 1760 contacts (-37.1/contact) +
2D Compatibility (PS) -24873 + (NN) -11900 + (LL) 208
1D Compatibility (HY) -17600 + (ID) 4750
Total energy: -124186.0 ( -70.56 by residue)
QMean score : 0.402
(partial model without unconserved sides chains):
PDB file :
Tito_1O0W.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1O0W-query.scw
PDB file :
Tito_Scwrl_1O0W.pdb
: