Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKAINIALDGPAAAGKSTIAKRVASELSMIYVDTGAMYRALTYKYLKLNK--TEDFAKLVDQTTLDLTYKADKG-QCVILDNEDVTDFLRNNDVTQHVSYVASKEPVRSFAVKKQKELAAEKG-IVMDGRDIGTVVLPDADLKVYMIASVEERAERRYKDNQLRGIESNFEDLKRDIEARDQYDMNREISPLRKADDAVTLDTTGKSIEEVTDEILAMVSQIK
3R20 Chain:A ((12-225))
-----VAVDGPAGTGKSSVSRGLARALGARYLDTGAMYRIATLAVLRAGADLTDPAAIEKAAADAEIGVGSDPDVDAAFLAGEDVSSEIRGDAVTGAVSAVSAVPAVRTRLVDIQRKLATEGGRVVVEGRDIGTVVLPDADVKIFLTASAEERARRRNAQNVANGLPDDYATVLADVQRRDHLDSTRPVSPLRAADDALVVDTSDMDQAQVIAHLLDLV----
General information:
TITO was launched using:
RESULT:
Template:
3R20.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -58854 for 1675 contacts (-35.1/contact) +
2D Compatibility (PS) -22637 + (NN) -7547 + (LL) 900
1D Compatibility (HY) -12000 + (ID) 4200
Total energy: -104338.0 ( -62.29 by residue)
QMean score : 0.525
(partial model without unconserved sides chains):
PDB file :
Tito_3R20.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3R20-query.scw
PDB file :
Tito_Scwrl_3R20.pdb
: