Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLKLLLLTLPLLSSLVHAAPSLAMPREGIVGGQEASGNKWPWQVSLRVNDTYWMHFCGGSLIHPQWVLTAAHCVGPNKADPNKLRVQLRKQYLYYHDHLLTVSQIISHPDFYIAQDGADIALLKLTNPVNITSNVHTVSLPPASETFPSGTLCWVTGWGNINNDVSLPPPFPLEEVQVPIVENRLCDLKYHKGLNTGDNVHIVRDDMLCAGNEGHDSCQGDSGGPLVCKVEDTWLQAGVVSWGEGCAQPNRPGIYTRVTYYLDWIYRYVPKYF
2GDD Chain:D ((1-243))
----------------------------IVGGQEAPRSKWPWQVSLRVHGPYWMHFCGGSLIHPQWVLTAAHCVGPDVKDLAALRVQLREQHLYYQDQLLPVSRIIVHPQFYTAQIGADIALLELEEPVKVSSHVHTVTLPPASETFPPGMPCWVTGWGDVDNDERLPPPFPLKQVKVPIMENHICDAKYHLGAYTGDDVRIVRDDMLCAGNTRRDSCQGDSGGPLVCKVNGTWLQAGVVSWGEGCAQPNRPGIYTRVTYYLDWIHHYVPK--
General information:
TITO was launched using:
RESULT:
Template:
2GDD.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -171441 for 2049 contacts (-83.7/contact) +
2D Compatibility (PS) -26767 + (NN) -20063 + (LL) 2712
1D Compatibility (HY) -30800 + (ID) 9300
Total energy: -255659.0 ( -124.77 by residue)
QMean score : 0.493
(partial model without unconserved sides chains):
PDB file :
Tito_2GDD.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2GDD-query.scw
PDB file :
Tito_Scwrl_2GDD.pdb
: