Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPELPEVEVVRRGLQAHVTGRTITEVRVHHPRAVRRHDAGPADLTARLRGARINGTDRRGKYLWLTLNTAGVHRPTDTALVVHLGMSGQMLLGAV--PCAAHVRISALLDDGTVLSFADQRTFGGWLLADLVTVDGSVVPVPVAHLARDPLDPRFDCDAVVKVLRRKHSELKRQLLDQRVVSGIGNIYADEALWRAKVNGAHVAATLRCRRLGAVLHAAADVMREALAKGGTSFDSLYVNVNGESGYFERSLDAYGREGENCRRCGAVIRRERFMNRSSFYCPRCQPRPRK
3U6E Chain:A ((1-272))
-PQLPEVETIRRTLLPLIVGKTIEDVRIFWPNIIR-HPRDSEAFAARMIGQTVRGLERRGKFLKFLLD--------RDALISHLRMEGRYAVASALEPLEPHTHVVFCFTDGSELRYRDVRKFGTMHVYAKEEADRRP---PLAELGPEPLSPAFSPAVLAERAVKTKRSVKALLLDCTVVAGFGNIYVDESLFRAGILPGRPAASLSSKEIERLHEEMVATIGEAVM----------------------HLYVYGRQGNPCKRCGTPIEKTVVAGRGTHYCPRCQ-----
General information:
TITO was launched using:
RESULT:
Template:
3U6E.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -147404 for 2003 contacts (-73.6/contact) +
2D Compatibility (PS) -26664 + (NN) -10367 + (LL) 1232
1D Compatibility (HY) -15200 + (ID) 4400
Total energy: -202803.0 ( -101.25 by residue)
QMean score : 0.517
(partial model without unconserved sides chains):
PDB file :
Tito_3U6E.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3U6E-query.scw
PDB file :
Tito_Scwrl_3U6E.pdb
: