Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRRVVRYLSVVVAITLMLTAESVSIATAAVPPLQPIPGVASVSPANGAVVGVAHPVVVTFTTPVTDRRAVERSIRISTPHNTTGHFEWVASNVVRWVPHRYWPPHTRVSVGVQ----ELTEG----------FETGDALIGVASISAHTFTVSRNGEVLRTMPASLGKPSRPTPIGSFHAMSKERTVVMDSRTIGIPLNSSDGYLLTAHYAVRVTWSGVYVHSAPWSVNSQGYANVSHGCINLSPDNAAWYFDAVTVGDPIEVVG
3U1Q Chain:B ((29-257))
--------------------------HLTMP---------YVMPGDGEVVGVGEPVAIRFDENIADRGAAEKAIKITTNPPVEGAFYWLNNREVRWRPEHFWKPGTAVDVAVNTYGVDLGEGMFGEDNVQTHFTIGDEVIATADDNTKILTVRVNGEVVKSMPTSMGKDSTPTANGIYIVGSRYKHIIMDSSTYGVPVNSPNGYRTDVDWATQISYSGVFVHSAPWSVGAQGHTNTSHGCLNVSPSNAQWFYDHVKRGDIVEVV-
General information:
TITO was launched using:
RESULT:
Template:
3U1Q.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -126368 for 1630 contacts (-77.5/contact) +
2D Compatibility (PS) -23306 + (NN) -7817 + (LL) 3524
1D Compatibility (HY) -17200 + (ID) 4850
Total energy: -176017.0 ( -107.99 by residue)
QMean score : 0.524
(partial model without unconserved sides chains):
PDB file :
Tito_3U1Q.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3U1Q-query.scw
PDB file :
Tito_Scwrl_3U1Q.pdb
: