Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLKLLLLTLPLLSSLVHAAPSLAMPREGIVGGQEASGNKWPWQVSLRVNDTYWMHFCGGSLIHPQWVLTAAHCVGPNKADPNKLRVQLRKQYLYYHDHLLTVSQIISHPDFYIAQDGADIALLKLTNPVNITSNVHTVSLPPASETFPSGTLCWVTGWGNINNDVSLPPPFPLEEVQVPIVENRLCDLKYHKGLNTGDNVHIVRDDMLCAGNEGHDSCQGDSGGPLVCKVEDTWLQAGVVSWGEGCAQPNRPGIYTRVTYYLDWIYRYVPKYF
2FWW Chain:A ((1-243))
----------------------------IVGGQEAPRSKWPWQVSLRVHGPYWMHFCGGSLIHPQWVLTAAHCVGPDVKDLAALRVQLREQHLYYQDQLLPVSRIIVHPQFYTAQIGADIALLELEEPVKVSSHVHTVTLPPASETFPPGMPCWVTGWGDVDNDERLPPPFPLKQVKVPIMENHICDAKYHLGAYTGDDVRIVRDDMLCAGNTRRDSCQGDSGGPLVCKVNGTWLQAGVVSWGEGCAQPNRPGIYTRVTYYLDWIHHYVPK--
General information:
TITO was launched using:
RESULT:
Template:
2FWW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -164390 for 2054 contacts (-80.0/contact) +
2D Compatibility (PS) -26578 + (NN) -18057 + (LL) 2712
1D Compatibility (HY) -30800 + (ID) 9300
Total energy: -246413.0 ( -119.97 by residue)
QMean score : 0.468
(partial model without unconserved sides chains):
PDB file :
Tito_2FWW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2FWW-query.scw
PDB file :
Tito_Scwrl_2FWW.pdb
: