Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEVILKFGILGFGAIFGYLFGEVDLLVKVLVCFIVADYISGLLASGYLGELSSKMGFKGIAKKIAI-LILVAIAHQIDLIL-GTHNTTRDAVIFFYLANELISILENFVRMGMKV--------PEVLKNLILIFDAKSGEDEEKHDKDMD
2AYA Chain:A ((1-128))
----------------------MKALEHEKTPELAAKLAAEAIERDPWAAQVSQLSLPKLVEQVALNAWKEESDNAVCLHLRSSQRHLNNRGAQQKLAEALSMLKGSTVELTIVEDDNPAVRTPLEWRQAIYEEKLAQARESIIADNNIQ
General information:
TITO was launched using:
RESULT:
Template:
2AYA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -80383 for 726 contacts (-110.7/contact) +
2D Compatibility (PS) -12409 + (NN) -1847 + (LL) 1716
1D Compatibility (HY) 2000 + (ID) 650
Total energy: -91573.0 ( -126.13 by residue)
QMean score : 0.263
(partial model without unconserved sides chains):
PDB file :
Tito_2AYA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2AYA-query.scw
PDB file :
Tito_Scwrl_2AYA.pdb
: