Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDKILSVEHLMMHFGGIKALNDVNLDVERGSITALIGPNGAGKTTVFNCLTGFYKATGGNILLNTQGRTTDVIQVLGEPFQLDDFVKPPQLGSRLYYKMFGGTHLVNRAGLARTFQNIRLFKDMSVVENLLVAQHMFVNRNLLAGILNTPGYRRAESEALDHAFYWLEVVDLVDCANRLAGEMSYGQQRRLEIARAMCTRPELICLDEPAAGLNPAETHALSNIVRYLRDHHGITVLLIEHDMGMVMNISDHIIVLDHGDVIARGNPEQIRHDEKVIAAYLGADEEELS
4P33 Chain:A ((3-235))
-----LTAKNLAKAYKGRRVVEDVSLTVNSGEIVGLLGPNGAGKTTTFYMVVGIVPRDAGNIIIDDDDISLLPL------------------------------HARARRGIGYLPQEASIFRRLSVYDNLMAVLQI---RDDLSA-----------EQREDRANELMEEFHIEHLRDSMGQSLSGGERRRVEIARALAANPKFILLDQPFAGVDPISVIDIKRIIEHLRD-SGLGVLITDHNVRETLAVCERAYIVSQGHLIAHGTPTEILQDEHVKRVYLG-------
General information:
TITO was launched using:
RESULT:
Template:
4P33.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -201730 for 1899 contacts (-106.2/contact) +
2D Compatibility (PS) -24692 + (NN) -8623 + (LL) 3100
1D Compatibility (HY) -15600 + (ID) 3750
Total energy: -251295.0 ( -132.33 by residue)
QMean score : 0.459
(partial model without unconserved sides chains):
PDB file :
Tito_4P33.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4P33-query.scw
PDB file :
Tito_Scwrl_4P33.pdb
: