Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRITGERIYLRPFQIIDANQKLAFHLANKAFFEGYSMERDDRFYTIEEQQSLISRLEDFAASDVEYYYGIFLNDTDELIGTINLFSILRESLQSAFIGYFLDKKHNGNGYATEAVQLIVDFGFDILGLHRIEAGVMPKNERSKQVLLKAGFHLEGLAVQNVRINGTWEDHQVLAIINPGD---
4MHD Chain:A ((26-195))
----NSQLTLRALE--RGDLRFIHNLNNNRNIMSYWFEEPY------ESFDELEELYNKHIHDNAERRFVVEDAQKNLIGLVELIEINYIH-RSAEFQIIIAPEHQGKGFARTLINRALDYSFTILNLHKIYLHVAVENPKAVHLYEECGFVEEGHLVEEFFINGRYQDVKRMYILQSKYLNR
General information:
TITO was launched using:
RESULT:
Template:
4MHD.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -58284 for 1175 contacts (-49.6/contact) +
2D Compatibility (PS) -18141 + (NN) -7017 + (LL) 1832
1D Compatibility (HY) -9200 + (ID) 1950
Total energy: -92760.0 ( -78.94 by residue)
QMean score : 0.389
(partial model without unconserved sides chains):
PDB file :
Tito_4MHD.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4MHD-query.scw
PDB file :
Tito_Scwrl_4MHD.pdb
: