Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPKLSIVVAPDERLTTRASEVTGINDKIKELVNDMFETMYNAEGLGLAAVQIGVLKRIFVMDIQLEDIKGEPVGYESTGKFCMINPEITELSDEQVILKEGCLSIPEQSHEIRRPKYLTVKYKDLNNKEQTLKASGWLARCIQHELDHLNGILYIRHLSKLKYDMAMKKAEKFKRHYER
2W3U Chain:A ((3-163))
---LQVLHIPDERLRKVAKPVEEVNAEIQRIVDDMFETMYAEEGIGLAATQVDIHQRIIVID----------VSENRDERLVLINPELLEKSGETGI-EEGCLSIPEQRALVPRAEKVKIRALDRDGKPFELEADGLLAICIQHEMDHLVGKLFMDYLSPLKQQRIRQKVEKLDRLK--
General information:
TITO was launched using:
RESULT:
Template:
2W3U.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -94463 for 1262 contacts (-74.9/contact) +
2D Compatibility (PS) -17110 + (NN) -899 + (LL) 1032
1D Compatibility (HY) -13600 + (ID) 3650
Total energy: -128690.0 ( -101.97 by residue)
QMean score : 0.489
(partial model without unconserved sides chains):
PDB file :
Tito_2W3U.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2W3U-query.scw
PDB file :
Tito_Scwrl_2W3U.pdb
: