Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVKDRQIQKTKVAIYNAFISLLQENDYSKITVQDVIGLANVGRSTFYSHYESKEVLLKELCEDLFHHLFKQGRDV----------TFEEYLVHILKHFEQNQDSIATLLLSD------DPYFLLRFRSELEHDVYPRLREEYITKVD--------IPEDFLKQFLLSSFIETLKWWLHQRQKMTVEDLLKYYLTMVER----------
2UXU Chain:A ((5-210))
--TKEEAQETRAQIIEAAERAFYKRGVARTTLADIAELAGVTRGAIYWHFNNKAELVQALLDSLHETHDHLARASESEDEVDPLGCMRKLLLQVFNELVLDARTRRINEILHHKCEFTDDMCEIRQQRQSAVLDCHKGITLALANAVRRGQLPGELDAERAAVAMFAYVDGLIRRWLLLPDSVDLLGDVEKWVDTGLDMLRLSPALRK
General information:
TITO was launched using:
RESULT:
Template:
2UXU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -103543 for 1185 contacts (-87.4/contact) +
2D Compatibility (PS) -18461 + (NN) -9387 + (LL) 400
1D Compatibility (HY) -4000 + (ID) 1100
Total energy: -136091.0 ( -114.84 by residue)
QMean score : 0.522
(partial model without unconserved sides chains):
PDB file :
Tito_2UXU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2UXU-query.scw
PDB file :
Tito_Scwrl_2UXU.pdb
: