Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPKLSIVVAPDERLTTRASEVTGINDKIKELVNDMFETMYNAEGLGLAAVQIGVLKRIFVMDIQLEDIKGEPVGYESTGKFCMINPEITELSDEQVILKEGCLSIPEQSHEIRRPKYLTVKYKDLNNKEQTLKASGWLARCIQHELDHLNGILYIRHLSKLKYDMAMKKAEKFKRHYER
2AI8 Chain:A ((3-163))
---LQVLHIPDERLRKVAKPVEEVNAEIQRIVDDMFETMYAEEGIGLAATQVDIHQRIIVID----------VSENRDERLVLINPELLEKSGETGI-EEGCLSIPEQRALVPRAEKVKIRALDRDGKPFELEADGLLAICIQHEMDHLVGKLFMDYLSPLKQQRIRQKVEKLDRLKA-
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) -91613 for 1254 contacts (-73.1/contact) +
2D Compatibility (PS) -17202 + (NN) -1310 + (LL) 940
1D Compatibility (HY) -13600 + (ID) 3650
Total energy: -126435.0 ( -100.83 by residue)
QMean score : 0.459
(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
: