Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MARPLAMIAALGENRAIGIDNRLPWRLPADLKHFKAMTLGKPVIMGRKTWDSL-GRPLPGRLNLVVSRQAGL-ALEGAEVFASLDAALARAEAWAQAEDADELMLIGGAQLYAEALPRAARLYLTRVGLAPEGDAFFPEIDGAAWRLAS-SIEHAAADDAPAYAFEVWERR
4DFR Chain:A ((1-159))
---MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLDKPVIMGRHTWESIG-RPLPGRKNIILSSQP--GTDDRVTWVKSVDEAIAACGDVP------EIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFKILERR
General information:
TITO was launched using:
RESULT:
Template:
4DFR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -90151 for 1150 contacts (-78.4/contact) +
2D Compatibility (PS) -16455 + (NN) -1278 + (LL) 644
1D Compatibility (HY) -15600 + (ID) 3400
Total energy: -126240.0 ( -109.77 by residue)
QMean score : 0.418
(partial model without unconserved sides chains):
PDB file :
Tito_4DFR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4DFR-query.scw
PDB file :
Tito_Scwrl_4DFR.pdb
: