Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSKKENTTTTLFVYEKPKSTISEKFRGIRSNIMFSKANGEVKRLLVTSEKPGAGKSTVVSNVAITYAQAGYKTLVIDGDMCKPTQNYIFNEQNNN-GLSSLIIGRTTMSEAITSTEIENLDLLTAGPVPPNPSELIGSE--RFKELVDLFNKRYDIIIVDTPPVNTVTDAQLYARAI------KDSLLVIDSEKNDKNEVKKAKALMEKAGSNILGVILNKTKVDKSSSYYHYYGDE
1ION Chain:A ((7-172))
---------------------------------------------IVSGKGGTGKTTVTANLSVALGEMGRKVLAVDGDLTMANLSLVLGVDDVNITLHDVLAGDAKLEDAIYMTQFENVYIL---PGAVDWEHVIKADPRKLPEVIKSLKGKYDFILIDCP-------AGLQLRAMSAMLSGEEAILVTNPEISCLTDTMKVGMVLKKAGLAILGFILNR----------------
General information:
TITO was launched using:
RESULT:
Template:
1ION.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -48576 for 1252 contacts (-38.8/contact) +
2D Compatibility (PS) -17336 + (NN) -10372 + (LL) 3828
1D Compatibility (HY) -13200 + (ID) 2400
Total energy: -88056.0 ( -70.33 by residue)
QMean score : 0.510
(partial model without unconserved sides chains):
PDB file :
Tito_1ION.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1ION-query.scw
PDB file :
Tito_Scwrl_1ION.pdb
: