Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDKILSVEHLMMHFGGIKALNDVNLDVERGSITALIGPNGAGKTTVFNCLTGFYKATGGNILLNTQGRTTDVIQVLGEPFQLDDFVKPPQLGSRLYYKMFGGTHLVNRAGLARTFQNIRLFKDMSVVENLLVAQHMFVNRNLLAGILNTPGYRRAESEALDHAFYWLEVVDLVDCANRLAGEMSYGQQRRLEIARAMCTRPELICLDEPAAGLNPAETHALSNIVRYLRDHHGITVLLIEHDMGMVMNISDHIIVLDHGDVIARGNPEQIRHDEKVIAAYLGADEEELS
4P32 Chain:A ((3-234))
-----LTAKNLAKAYKGRRVVEDVSLTVNSGEIVGLLGPNGAGKTTTFYMVVGIVPRDAGNIIIDDDDISLLPL------------------------------HARARRGIGYLPQEASIFRRLSVYDNLMAVLQI---RDDLSA-----------EQREDRANELMEEFHIEHLRDSMGQSLSGGERRRVEIARALAANPKFILLDEPFAGVDPISVIDIKRIIEHLRD-SGLGVLITDHNVRETLAVCERAYIVSQGHLIAHGTPTEILQDEHVKRVYL--------
General information:
TITO was launched using:
RESULT:
Template:
4P32.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -198942 for 1915 contacts (-103.9/contact) +
2D Compatibility (PS) -24588 + (NN) -9171 + (LL) 2928
1D Compatibility (HY) -15600 + (ID) 3750
Total energy: -249123.0 ( -130.09 by residue)
QMean score : 0.456
(partial model without unconserved sides chains):
PDB file :
Tito_4P32.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4P32-query.scw
PDB file :
Tito_Scwrl_4P32.pdb
: