Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTALNVLIYPDDHLKVVCEPVTKVNDAIRKIVDDMFDTMYQEKGIGLAAPQVDILQRIITIDVEGDKQNQFVLINPEILASEGETGIEEGCLSIPGFRALVPRKEKVTVRALDRDGKEFTLDADGLLAICIQHEIDHLNGILFVDYLSPLKRQRIKEKLIKYKKQIAKS
3K6L Chain:A ((2-165))
-SVLQVLHIPDERLRKVAKPVEEVNAEIQRIVDDMFETMYAEEGIGLAATQVDIHQRIIVIDVSENRDERLVLINPELLEKSGETGIEEGCLSIPEQRALVPRAEKVKIRALDRDGKPFELEADGLLAICIQHEMDHLVGKLFMDYLSPLKQQRIRQKVEKLDRL----
General information:
TITO was launched using:
RESULT:
Template:
3K6L.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -99032 for 1252 contacts (-79.1/contact) +
2D Compatibility (PS) -17667 + (NN) -5843 + (LL) 592
1D Compatibility (HY) -19600 + (ID) 5400
Total energy: -146950.0 ( -117.37 by residue)
QMean score : 0.548
(partial model without unconserved sides chains):
PDB file :
Tito_3K6L.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3K6L-query.scw
PDB file :
Tito_Scwrl_3K6L.pdb
: