Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSKKENTTTTLFVYEKPKSTISEKFRGIRSNIMFSKANGEVKRLLVTSEKPGAGKSTVVSNVAITYAQAGYKTLVIDGDMCKPTQNYIFNEQNNNGLSSLIIGRTTMSEAITSTEIENLDLLTAGPVPPNPSELIGSERFKELVDLFNKRYDIIIVDTPPVNTVTDAQLYARAIKDSLLVIDSEKNDKNEVKKAKALMEKAGSNILGVILNKTKVDKSSSYYHYYGDE
3CIO Chain:A ((77-282))
-------------VDNPADSAVEAVRALRTSLHFAMMETENNILMITGATPDSGKTFVSSTLAAVIAQSDQKVLFIDADLRRGYSHNLFTVSNEHGLSEYLAGKDELNKVIQHFGKGGFDVITRGQVPPNPSELLMRDRMRQLLEWANDHYDLVIVDTPPMLAVSDAAVVGRSVGTSLLVARFGLNTAKEVSLSMQRLEQAGVNIKGAILNGVIKRAST---------
General information:
TITO was launched using:
RESULT:
Template:
3CIO.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -56086 for 1717 contacts (-32.7/contact) +
2D Compatibility (PS) -22665 + (NN) -15059 + (LL) 1280
1D Compatibility (HY) -13600 + (ID) 3550
Total energy: -109680.0 ( -63.88 by residue)
QMean score : 0.451
(partial model without unconserved sides chains):
PDB file :
Tito_3CIO.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3CIO-query.scw
PDB file :
Tito_Scwrl_3CIO.pdb
: