Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDKKTQTRARILGAATQALLERGAVEPSVGEVMGAAGLTVGGFYAHFQSKDALMLEAFEQLLGKRRELLGELDPG-LSGKERRALAAAFYLSRKHRDAQVDAGCPLPATLAEVARLPEGFREVLSRHVE-------IMVTSLAE---S---PEETDVALADLVLMIGGLALARALGPGELSDRVLRAAKQAVN
3KNW Chain:A ((12-197))
----SEAKRQHILDSGFHLVLRKGFVGVGLQEILKTSGVPKGSFYHYFESKEAFGCELLKHYISDYQIRLNQLWTTETSARDKLMNYLQCWVKD--------ESCLIVKMAAEVADLSEDMRLIMNDGVKRLIARMADLIRIGQQEGSIQTSVVPDVLAQVIYQMYLGAALLSKLYKHKAPLFQALESTK----
General information:
TITO was launched using:
RESULT:
Template:
3KNW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -60219 for 1098 contacts (-54.8/contact) +
2D Compatibility (PS) -18252 + (NN) -13468 + (LL) 1056
1D Compatibility (HY) -10800 + (ID) 1650
Total energy: -103333.0 ( -94.11 by residue)
QMean score : 0.436
(partial model without unconserved sides chains):
PDB file :
Tito_3KNW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KNW-query.scw
PDB file :
Tito_Scwrl_3KNW.pdb
: