Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAILNILEFPDPRLRTIAKPVEVVDDAVRQLIDDMFETMYEAPGIGLAATQVNVHKRIVVMDLSEDKSEPRVFINPEFEPLTEDMDQYQEGCLSVPGFYENVDRPQKVRIKALDRDGNPFEEVAEGLLAVCIQHECDHLNGKLFVDYLSTLKRDRIRKKLEKQHRQQA
2W3U Chain:A ((1-165))
-SVLQVLHIPDERLRKVAKPVEEVNAEIQRIVDDMFETMYAEEGIGLAATQVDIHQRIIVIDVSENRDERLVLINPELLEKSGETG-IEEGCLSIPEQRALVPRAEKVKIRALDRDGKPFELEADGLLAICIQHEMDHLVGKLFMDYLSPLKQQRIRQKVEKLDRLK-
General information:
TITO was launched using:
RESULT:
Template:
2W3U.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -63777 for 1289 contacts (-49.5/contact) +
2D Compatibility (PS) -17572 + (NN) -6154 + (LL) 472
1D Compatibility (HY) -18800 + (ID) 4650
Total energy: -110481.0 ( -85.71 by residue)
QMean score : 0.750
(partial model without unconserved sides chains):
PDB file :
Tito_2W3U.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2W3U-query.scw
PDB file :
Tito_Scwrl_2W3U.pdb
: