Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLNMNTHTRGIDSGLIHSLQSISLSMFRKGFFGLYQGSISARI-GANQFVINKRNAVFDQLNENTLLVL---HDKIDYRWKEASLDSPIHASVYREFLDAKFIAYARPPYSLAYSLRHNRLLPRDYLGYRSLGEEIAIFNPKDYDSWQERADTEILRQLQESKK---------YFVFIKGCGIFAYHRELSKLMEVFDLIENSCKVLRLGDLMDYCYNDDPRLSV--------
1JDI Chain:A ((1-223))
----------MLEDLKRQVLEANLALPKHNLVTLTWGNVSAVDRERGVFVIKPSGVDYSIMTADDMVVVSIETGEVVEGAKKPSSDTPTHRLLYQAFPSIGGIVHTHSRHATIWAQAGQSIPATGTTHADYFYGTIPCTRKMTDAEINGEYEWETGNVIVETFEKQGIDAAQMPGVLVHSHGPFAWGKNAEDAVHNAIVLEEVAYMGIFCRQLAPQLPDMQQTLLNKHYLRKH
General information:
TITO was launched using:
RESULT:
Template:
1JDI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -119738 for 1693 contacts (-70.7/contact) +
2D Compatibility (PS) -21363 + (NN) -6334 + (LL) 508
1D Compatibility (HY) -2000 + (ID) 1350
Total energy: -150277.0 ( -88.76 by residue)
QMean score : 0.397
(partial model without unconserved sides chains):
PDB file :
Tito_1JDI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1JDI-query.scw
PDB file :
Tito_Scwrl_1JDI.pdb
: