Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAILNILEFPDPRLRTIAKPVEVVDDAVRQLIDDMFETMYEAPGIGLAATQVNVHKRIVVMDLSEDKSEPRVFINPEFEPLTEDMDQYQEGCLSVPGFYENVDRPQKVRIKALDRDGNPFEEVAEGLLAVCIQHECDHLNGKLFVDYLSTLKRDRIRKKLEKQHRQQA
2AI8 Chain:B ((1-164))
-SVLQVLHIPDERLRKVAKPVEEVNAEIQRIVDDMFETMYAEEGIGLAATQVDIHQRIIVIDVSENRDERLVLINPELLEKSGETG-IEEGCLSIPEQRALVPRAEKVKIRALDRDGKPFELEADGLLAICIQHEMDHLVGKLFMDYLSPLKQQRIRQKVEKLDRL--
General information:
TITO was launched using:
RESULT:
Template:
2AI8.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -67452 for 1270 contacts (-53.1/contact) +
2D Compatibility (PS) -17682 + (NN) -6661 + (LL) 592
1D Compatibility (HY) -18800 + (ID) 4650
Total energy: -114653.0 ( -90.28 by residue)
QMean score : 0.725
(partial model without unconserved sides chains):
PDB file :
Tito_2AI8.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2AI8-query.scw
PDB file :
Tito_Scwrl_2AI8.pdb
: