Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTALNVLIYPDDHLKVVCEPVTKVNDAIRKIVDDMFDTMYQEKGIGLAAPQVDILQRIITIDVEGDKQNQFVLINPEILASEGETGIEEGCLSIPGFRALVPRKEKVTVRALDRDGKEFTLDADGLLAICIQHEIDHLNGILFVDYLSPLKRQRIKEKLIKYKKQIAKS
2AI8 Chain:A ((1-166))
-SVLQVLHIPDERLRKVAKPVEEVNAEIQRIVDDMFETMYAEEGIGLAATQVDIHQRIIVIDVSENRDERLVLINPELLEKSGETGIEEGCLSIPEQRALVPRAEKVKIRALDRDGKPFELEADGLLAICIQHEMDHLVGKLFMDYLSPLKQQRIRQKVEKLDRLKA--
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) -94647 for 1286 contacts (-73.6/contact) +
2D Compatibility (PS) -17844 + (NN) -5586 + (LL) 244
1D Compatibility (HY) -19200 + (ID) 5450
Total energy: -142483.0 ( -110.80 by residue)
QMean score : 0.573
(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
: