Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRRPLVAGNWKMHGTHSSVAELIKGLRQLALPSGVDVAVMPPCLFISQVIQGLAGKAIDVGAQNSAVEPMQGALTGETAPSQLADVGCSMVLVGHSERRLILGESDEVVS--RKFAAAQSCGLVPVLCVGETRAEREAGKTLEVVARQLGSVIDELGVGAFARAVVAYEPVWAIGTGLTASPAQAQEVHAAIRAQLAAE-NAEVAKGVRLLYGGSVKAASAAELFGMPDIDGGLVGGASLNADEFGAICRAAGS
2YPI Chain:A ((2-235))
-RTFFVGGNFKLNGSKQSIKEIVERLNTASIPENVEVVICPPATYLDYSVSLVKKPQVTVGAQNAYLKA-SGAFTGENSVDQIKDVGAKWVILGHSERRSYFHEDDKFIADKTKFALGQGVGVI--LCIGETLEEKKAGKTLDVVERQLNAVLEE--VKDWTNVVVAYEPVWAIGTGLAATPEDAQDIHASIRKFLASKLGDKAASELRILYGGSANGSNAVTFKDKADVDGFLVGGASL--------------
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) -144093 for 1900 contacts (-75.8/contact) +
2D Compatibility (PS) -25233 + (NN) -9679 + (LL) 1116
1D Compatibility (HY) -22000 + (ID) 5150
Total energy: -205039.0 ( -107.92 by residue)
QMean score : 0.492
(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
: