Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MARPLAMIAALGENRAIGIDNRLPWRLPADLKHFKAMTLGKPVIMGRKTWDSLGRPLPGRLNLVVSRQAGLALEGAEVFASLDAALARAEAWAQAEDADELMLIGGAQLYAEALPRAARLYLTRVGLAPEGDAFFPEIDGAAWR-LASSIEHAAADDAPAYAFEVWERR
4I13 Chain:A ((2-159))
----ISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSVD------EAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILERR
General information:
TITO was launched using:
RESULT:
Template:
4I13.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -86948 for 1173 contacts (-74.1/contact) +
2D Compatibility (PS) -16760 + (NN) -3242 + (LL) 1340
1D Compatibility (HY) -16000 + (ID) 3650
Total energy: -125260.0 ( -106.79 by residue)
QMean score : 0.469
(partial model without unconserved sides chains):
PDB file :
Tito_4I13.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4I13-query.scw
PDB file :
Tito_Scwrl_4I13.pdb
: