Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPKLSIVVAPDERLTTRASEVTGINDKIKELVNDMFETMYNAEGLGLAAVQIGVLKRIFVMDIQLEDIKGEPVGYESTGKFCMINPEITELSDEQVILKEGCLSIPEQSHEIRRPKYLTVKYKDLNNKEQTLKASGWLARCIQHELDHLNGILYIRHLSKLKYDMAMKKAEKFKRHYER
3K6L Chain:B ((2-164))
-SVLQVLHIPDERLRKVAKPVEEVNAEIQRIVDDMFETMYAEEGIGLAATQVDIHQRIIVID----------VSENRDERLVLINPELLEKSGETGI-EEGCLSIPEQRALVPRAEKVKIRALDRDGKPFELEADGLLAICIQHEMDHLVGKLFMDYLSPLKQQRIRQKVEKLDRL---
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) -88407 for 1248 contacts (-70.8/contact) +
2D Compatibility (PS) -17519 + (NN) -1488 + (LL) 1212
1D Compatibility (HY) -13600 + (ID) 3650
Total energy: -123452.0 ( -98.92 by residue)
QMean score : 0.469
(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
: