Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRRVVRYLSVVVAITLMLTAESVSIATAAVPPLQPIPGVASVSPANGAVVGVAHPVVVTFTTPVTDRRAVERSIRISTPHNTTGHFEWVASNVVRWVPHRYWPPHTRVSVGVQ----ELTEG----------FETGDALIGVASISAHTFTVSRNGEVLRTMPASLGKPSRPTPIGSFHAMSKERTVVMDSRTIGIPLNSSDGYLLTAHYAVRVTWSGVYVHSAPWSVNSQGYANVSHGCINLSPDNAAWYFDAVTVGDPIEVVG
4GSU Chain:A ((12-249))
-----------------LTFQTSSPAHLTMP---------YVMPGDGEVVGVGEPVAIRFDENIADRGAAEKAIKITTNPPVEGAFYWLNNREVRWRPEHFWKPGTAVDVAVNTYGVDLGEGMFGEDNVQTHFTIGDEVIATADDNTKILTVRVNGEVVKSMPTSMGKDSTPTANGIYIVGSRYKHIIMDSSTYGVPVNSPNGYRTDVDWATQISYSGVFVHSAPWSVGAQGHTNTSHGCLNVSPSNAQWFYDHVKRGDIVEVV-
General information:
TITO was launched using:
RESULT:
Template:
4GSU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -122864 for 1611 contacts (-76.3/contact) +
2D Compatibility (PS) -23935 + (NN) -4273 + (LL) 2564
1D Compatibility (HY) -16800 + (ID) 5050
Total energy: -170358.0 ( -105.75 by residue)
QMean score : 0.470
(partial model without unconserved sides chains):
PDB file :
Tito_4GSU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4GSU-query.scw
PDB file :
Tito_Scwrl_4GSU.pdb
: