Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQHPAEHSPLGKTSEYVSSYTPSLLFPISRTAKWAELGLSAETLPYRGVDIWNCYELSWLTPAGKPVVAIGEFSIPADSPNIIESKSFKLYLNSLNQSAFDSREALRAVLQKDLSAAVGAPVGVRLRSLDEVAEEGIGRLPGRCIDELDIAVDGYEQPRPELLRCDAGRIVEEQLYSHLLKSNCPVTGQPDWGTLVVDYRGPALDPASLLAYLVSFRQHQDFHEQCVERIFLDLQRLLQPQALSVYARYVRRGGLDINPYRSLAEVAPD-NRRLVRQ
3BP1 Chain:A ((30-290))
---------------YANQYDPSLLQPVPRSLNRNDLHLSA-TLPFQGCDIWTLYELSWLNQKGLPQVAIGEVSIPATSANLIESKSFKLYLNSYNQTRFASWDEVQTRLVHDLSACAGETVTVNVKSLNEYTAEPIVTMQGECIDDQDIEIANYEFDDALLQGAAQGEEVSEVLHSHLLKSN------PDWGSVEIAYHGAKMNREALLRYLVSFREHNEFHEQCVERIFTDIMRYCQPQSLTVYARYTRRGGLDINPFRSSHQSAPNHNQRMARQ
General information:
TITO was launched using:
RESULT:
Template:
3BP1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -132764 for 2024 contacts (-65.6/contact) +
2D Compatibility (PS) -26950 + (NN) -13164 + (LL) 764
1D Compatibility (HY) -23600 + (ID) 7000
Total energy: -202714.0 ( -100.16 by residue)
QMean score : 0.410
(partial model without unconserved sides chains):
PDB file :
Tito_3BP1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3BP1-query.scw
PDB file :
Tito_Scwrl_3BP1.pdb
: