Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDRVAGQVNSRRGELLELAAAMFAERGLRATTVRDIADGAGILSGSLYHHFASKEEMVDELLRGFLDWLFARYRDIVDSTANPLERLQGLFMASFEAIEHHHAQVVIYQDEAQRLASQPRFSYIEDRNKQQRKMWVDVLNQGIEEGYFRPDLDVDLVYRFIRDTTWVSVRWYRPGGPLTAQQVGQQYLAIVLGGITKEGV
4W1U Chain:A ((3-200))
--RVA-----RRGELLELAAAMFAERGLRATTVRDIADGAGILSGSLYHHFASKEEMVDELLRGFLDWLFARYRDIVDSTANPLERLQGLFMASFEAIEHHHAQVVIYQDEAQRLASQPRFSYIEDRNKQQRKMWVDVLNQGIEEGYFRPDLDVDLVYRFIRDTTWVSVRWYRPGGPLTAQQVGQQYLAIVLGGITKEGV
General information:
TITO was launched using:
RESULT:
Template:
4W1U.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -128002 for 1380 contacts (-92.8/contact) +
2D Compatibility (PS) -20574 + (NN) -8566 + (LL) 164
1D Compatibility (HY) -28000 + (ID) 9650
Total energy: -194628.0 ( -141.03 by residue)
QMean score : 0.629
(partial model without unconserved sides chains):
PDB file :
Tito_4W1U.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4W1U-query.scw
PDB file :
Tito_Scwrl_4W1U.pdb
: