Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKIGQYDITGKACIMGILNVTPDSFSDGGSYTTIDSALNQVGEMLEQGVAIVDIGGESTRPGAVFVTAEEEIKRVVPMIKAIREVYPDL----LLSIDTYKTEVAQAALDAGVH----ILNDVWSGLYDGKMLSLAAERNVPIILMHNQEEAVYQDIKK--EVCEFLLERAERALEAGVSKDNIWIDPGFGFAKTEEQNLELLKGLEQVC-DLGYPVLFGISRKRTVNYLLGGNREVTERDMGTAALSAWAIAKGCQIVRVHNVEVNKDIVTVISQLV
3MCN Chain:B ((194-442))
--------------MGIVNLSNQSFSDG-NFDDNQRKLN-LDELIQSGAEIIDIGAESTKPDA-PISIEEEFNKLNEFLEYFKSQLANLIYKPLVSIDTRKLEVMQKIL-AKHHDIIWMINDVECNNIEQKA-QLIAKYNKKYVIIHN-----------IDNVCDYIEQKKQILLKHGIAQQNIYFDIGFGFGK-SDTARYLLENIIEIKRRLELKALVGHSRKPSV-LGL--DSNLATLDRATRELSRKLEKLDIDIIRVHKI--------------
General information:
TITO was launched using:
RESULT:
Template:
3MCN.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -111326 for 1650 contacts (-67.5/contact) +
2D Compatibility (PS) -24704 + (NN) -17919 + (LL) 3500
1D Compatibility (HY) -17600 + (ID) 3850
Total energy: -171899.0 ( -104.18 by residue)
QMean score : 0.500
(partial model without unconserved sides chains):
PDB file :
Tito_3MCN.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3MCN-query.scw
PDB file :
Tito_Scwrl_3MCN.pdb
: