Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKIGQYDITGKACIMGILNVTPDSFSDGGSYTTIDSALNQVGEMLEQGVAIVDIGGESTRPGAVFVTAEEEIKRVVPMIKAIREVYPDL----LLSIDTYKTEVAQAALDAGVH----ILNDVWSGLYDGKMLSLAAERNVPIILMHNQEEAVYQDIKK---EVCEFLLERAERALEAGVSKDNIWIDPGFGFAKTEEQNLELLKGLEQVC-DLGYPVLFGISRKRTVNYLLGGNREVTERDMGTAALSAWAIAKGCQIVRVHNVEVNKDIVTVISQLV
3MCO Chain:B ((194-442))
--------------MGIVNLSNQSFSDG-NFDDNQRKLN-LDELIQSGAEIIDIGAESTKPDAKPISIEEEFNKLNEFLEYFKSQLANLIYKPLVSIDTRKLEVMQKIL-AKHHDIIWMINDVECNNIEQKA-QLIAKYNKKYVIIHN----------NAIDNVCDYIEQKKQILLKHGIAQQNIYFDIGFGFGKKSDTARYLLENIIEIKRRLELKALVGHSRKPSV-LGLTK---LATLDRATRELSRKLEKLDIDIIRVHKI--------------
General information:
TITO was launched using:
RESULT:
Template:
3MCO.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -112244 for 1660 contacts (-67.6/contact) +
2D Compatibility (PS) -25003 + (NN) -17619 + (LL) 3660
1D Compatibility (HY) -17200 + (ID) 3850
Total energy: -172256.0 ( -103.77 by residue)
QMean score : 0.513
(partial model without unconserved sides chains):
PDB file :
Tito_3MCO.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3MCO-query.scw
PDB file :
Tito_Scwrl_3MCO.pdb
: