Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPELPEVEVVRRGLQAHVTGRTITEVRVHHPRAVRRHDAGPADLTARLRGARINGTDRRGKYLWLTLNTAGVHRPTDTALVVHLGMSGQMLLGAV--PCAAHVRISALLDDGTVLSFADQRTFGGWLLADLVTVDGSVVPVPVAHLARDPLDPRFDCDAVVKVLRRKHSELKRQLLDQRVVSGIGNIYADEALWRAKVNGAHVAATLRCRRLGAVLHAAADVMREALAKGGTSFDSLYVNVNGESGYFERSLDAYGREGENCRRCGAVIRRERFMNRSSFYCPRCQPRPRK
3SAR Chain:A ((1-272))
-PELPEVETIRRTLLPLIVGKTIEDVRIFWPNIIR-HPRDSEAFAARMIGQTVRGLERRGKFLKFLLD--------RDALISHLRMEGRYAVASALEPLEPHTHVVFCFTDGSELRYRDVRKFGTMHVYAKEEADRRP---PLAELGPEPLSPAFSPAVLAERAVKTKRSVKALLLDCTVVAGFGNIYVDESLFRAGILPGRPAASLSSKEIERLHEEMVATIGEAVMK---------------------HLYVYGRQGNPCKRCGTPIEKTVVAGRGTHYCPRCQ-----
General information:
TITO was launched using:
RESULT:
Template:
3SAR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -146170 for 1988 contacts (-73.5/contact) +
2D Compatibility (PS) -26774 + (NN) -11331 + (LL) 1168
1D Compatibility (HY) -15200 + (ID) 4500
Total energy: -202807.0 ( -102.02 by residue)
QMean score : 0.547
(partial model without unconserved sides chains):
PDB file :
Tito_3SAR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3SAR-query.scw
PDB file :
Tito_Scwrl_3SAR.pdb
: