Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRRVVRYLSVVVAITLMLTAESVSIATAAVPPLQPIPGVASVSPANGAVVGVAHPVVVTFTTPVTDRRAVERSIRISTPHNTTGHFEWVASNVVRWVPHRYWPPHTRVSVGVQ----ELTEG----------FETGDALIGVASISAHTFTVSRNGEVLRTMPASLGKPSRPTPIGSFHAMSKERTVVMDSRTIGIPLNSSDGYLLTAHYAVRVTWSGVYVHSAPWSVNSQGYANVSHGCINLSPDNAAWYFDAVTVGDPIEVVG
4GSR Chain:A ((17-249))
----------------------SSPAHLTMP---------YVMPGDGEVVGVGEPVAIRFDENIADRGAAEKAIKITTNPPVEGAFYWLNNREVRWRPEHFWKPGTAVDVAVNTYGVDLGEGMFGEDNVQTHFTIGDEVIATADDNTKILTVRVNGEVVKSMPTSMGKDSTPTANGIYIVGSRYKHIIMDSSTYGVPVNSPNGYRTDVDWATQISYSGVFVHSAPWSVGAQGHTNTSHGCLNVSPSNAQWFYDHVKRGDIVEVV-
General information:
TITO was launched using:
RESULT:
Template:
4GSR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -131088 for 1608 contacts (-81.5/contact) +
2D Compatibility (PS) -23349 + (NN) -4732 + (LL) 3012
1D Compatibility (HY) -16400 + (ID) 4950
Total energy: -177507.0 ( -110.39 by residue)
QMean score : 0.519
(partial model without unconserved sides chains):
PDB file :
Tito_4GSR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4GSR-query.scw
PDB file :
Tito_Scwrl_4GSR.pdb
: