Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRRVVRYLSVVVAITLMLTAESVSIATAAVPPLQPIPGVASVSPANGAVVGVAHPVVVTFTTPVTDRRAVERSIRISTPHNTTGHFEWVASNVVRWVPHRYWPPHTRVSVGVQ----ELTEG----------FETGDALIGVASISAHTFTVSRNGEVLRTMPASLGKPSRPTPIGSFHAMSKERTVVMDSRTIGIPLNSSDGYLLTAHYAVRVTWSGVYVHSAPWSVNSQGYANVSHGCINLSPDNAAWYFDAVTVGDPIEVVG
3VYP Chain:B ((17-239))
-----------------------------------------VMPGDGEVVGVGEPVAIRFDENIADRGAAEKAIKITTNPPVEGAFYWLNNREVRWRPEHFWKPGTAVDVAVNTYGVDLGEGMFGEDNVQTHFTIGDEVIATADDNTKILTVRVNGEVVKSMPTSMGKDSTPTANGIYIVGSRYKHIIMDSSTYGVPVNSPNGYRTDVDWATQISYSGVFVHSAPWSVGAQGHTNTSHGCLNVSPSNAQWFYDHVKRGDIVEVV-
General information:
TITO was launched using:
RESULT:
Template:
3VYP.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -127310 for 1549 contacts (-82.2/contact) +
2D Compatibility (PS) -22585 + (NN) -8044 + (LL) 3888
1D Compatibility (HY) -16800 + (ID) 4800
Total energy: -175651.0 ( -113.40 by residue)
QMean score : 0.537
(partial model without unconserved sides chains):
PDB file :
Tito_3VYP.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3VYP-query.scw
PDB file :
Tito_Scwrl_3VYP.pdb
: