Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSRKPLIAGNWKMNLNHYEAIALVQKI-AFSLPDKYYDRVDVAVIPPFTDLRSVQTLVDGDKLRLTYGAQDLSPHDSGAYTGDVSGAFLAKLGCSYVVVGHSERRTYHNEDDALVAAKAATALKHGLTPIVCIGEHLDVREAGNHVAHNIEQLRGSLAGLLAEQIGSVVIAYEPVWAIGTGRVASAADAQEVCAAIRKELASLASPRIADTVRVLYGGSVNAKNVGDIVAQDDVDGGLVGGASLDGEHFATLAAIAAGGPLP
2YPI Chain:B ((1-239))
-ARTFFVGGNFKLNGSKQSIKEIVERLNTASIPE----NVEVVICPPATYLDYSVSLVK--KPQVTVGAQNAYLKASGAFTGENSVDQIKDVGAKWVILGHSERRSYFHEDDKFIADKTKFALGQGVGVILCIGETLEEKKAGKTLDVVERQLNAVLEEV--KDWTNVVVAYEPVWAIGTGLAATPEDAQDIHASIRKFLASKLGDKAASELRILYGGSANGSNAVTFKDKADVDGFLVGGASLKPEF--------------
General information:
TITO was launched using:
RESULT:
Template:
2YPI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -138998 for 1994 contacts (-69.7/contact) +
2D Compatibility (PS) -26037 + (NN) -12754 + (LL) 1288
1D Compatibility (HY) -15200 + (ID) 5000
Total energy: -196701.0 ( -98.65 by residue)
QMean score : 0.505
(partial model without unconserved sides chains):
PDB file :
Tito_2YPI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2YPI-query.scw
PDB file :
Tito_Scwrl_2YPI.pdb
: