Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRRVVRYLSVVVAITLMLTAESVSIATAAVPPLQPIPGVASVSPANGAVVGVAHPVVVTFTTPVTDRRAVERSIRISTPHNTTGHFEWVASNVVRWVPHRYWPPHTRVSVGVQ----ELTEG----------FETGDALIGVASISAHTFTVSRNGEVLRTMPASLGKPSRPTPIGSFHAMSKERTVVMDSRTIGIPLNSSDGYLLTAHYAVRVTWSGVYVHSAPWSVNSQGYANVSHGCINLSPDNAAWYFDAVTVGDPIEVVG
3TUR Chain:A ((29-257))
--------------------------HLTMP---------YVMPGDGEVVGVGEPVAIRFDENIADRGAAEKAIKITTNPPVEGAFYWLNNREVRWRPEHFWKPGTAVDVAVNTYGVDLGEGMFGEDNVQTHFTIGDEVIATADDNTKILTVRVNGEVVKSMPTSMGKDSTPTANGIYIVGSRYKHIIMDSSTYGVPVNSPNGYRTDVDWATQISYSGVFVHSAPWSVGAQGHTNTSHGCLNVSPSNAQWFYDHVKRGDIVEVV-
General information:
TITO was launched using:
RESULT:
Template:
3TUR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -126331 for 1629 contacts (-77.6/contact) +
2D Compatibility (PS) -23306 + (NN) -7817 + (LL) 3524
1D Compatibility (HY) -17200 + (ID) 4850
Total energy: -175980.0 ( -108.03 by residue)
QMean score : 0.519
(partial model without unconserved sides chains):
PDB file :
Tito_3TUR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3TUR-query.scw
PDB file :
Tito_Scwrl_3TUR.pdb
: