Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQQIQRDIAQALQVQPPFQSEADVQAQIARRIAFIQQCLKDSGLKTLVLGISGGVDSLTAGLLAQRAVEQLREQTGDQAYRFIAVRLPYQVQQDEADAQASLATIRADEEQTVNIGPSVKALAEQLEALEGL--EPAKSDFVIGNIKARIRMVAQYAIAGARGGLVIGTDHAAEAVMGFFTKFGDGACDLAPLSGLAKHQVRALARALGAPENLVEKIPTADLEDLRPGHPDEASHGVTYAEIDAFLHGQPLREEAARVIVDTYHKTQHKRELPKAP
3DPI Chain:A ((18-274))
-----------LHVSPTF----DARDEAERRIGFVADYLRTAGLRACVLGISGGIDSSTAGRLAQLAVERLRASGYDA--RFVAMRLPYGA---EADARRALAFVRADETLTVDVKPAADAMLAALAAGGLAYLDHAQQDFVLGNIKARERMIAQYAVAGARNGVVIGTDHAAESVMGFFTKFGDGGADVLPLAGLTKRRVRALARMLGADEPLVLKTPTADLETLRPQRP--HAYGITYEQIDDFLEGKPMDDAVAETVLRFYDATRHKRALP---
General information:
TITO was launched using:
RESULT:
Template:
3DPI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -124981 for 1990 contacts (-62.8/contact) +
2D Compatibility (PS) -27615 + (NN) -18807 + (LL) 2244
1D Compatibility (HY) -20800 + (ID) 7150
Total energy: -197109.0 ( -99.05 by residue)
QMean score : 0.545
(partial model without unconserved sides chains):
PDB file :
Tito_3DPI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3DPI-query.scw
PDB file :
Tito_Scwrl_3DPI.pdb
: