Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQKYEKLEKIGEGTYGTVFKAKNRETHEIVALKRVRLDDDDEGVPSSALREICLLKELKHKNIVRLHDVLHSDKKLTLVFEFCDQDLKKYFDSCNGDLDPEIVKSFLFQLLKGLGFCHSRNVLHRDLKPQNLLINRNGELKLADFGLARAFGIPVRCYSAEVVTLWYRPPDVLFGAKLYSTSIDMWSAGCIFAELANAGRPLFPGNDVDDQLKRIFRLLGTPTEEQWPSMTKLPDYKPYPMYPATTSLVNVVPKLNATGRDLLQNLLKCNPVQRISAEEALQHPYFSDFCPP
3O0G Chain:B ((6-288))
-----KLEKIG-----TVFKA------EIVALKRVR--------PSSALREICLLKELKHKNIVRLHDVLHSDKKLTLVFEFCDQDLKKYFDSCNGDLDPEIVKSFLFQLLKGLGFCHSRNVLHRDLKPQNLLINRNGELKLANFGLARAFGIPVRCYSAEVVTLWYRPPDVLFGAKLYSTSIDMWSAGCIFAELANAGRPLFPGNDVDDQLKRIFRLLGTPTEEQWPSMTKLPDYKPYPMYPATTSLVNVVPKLNATGRDLLQNLLKCNPVQRISAEEALQHPYFSD----
General information:
TITO was launched using:
RESULT:
Template:
3O0G.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -168516 for 2098 contacts (-80.3/contact) +
2D Compatibility (PS) -27825 + (NN) -12552 + (LL) 680
1D Compatibility (HY) -40800 + (ID) 13150
Total energy: -262163.0 ( -124.96 by residue)
QMean score : 0.548
(partial model without unconserved sides chains):
PDB file :
Tito_3O0G.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3O0G-query.scw
PDB file :
Tito_Scwrl_3O0G.pdb
: