Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MARPLAMIAALGENRAIGIDNRLPWRLPADLKHFKAMTLGKPVIMGRKTWDSLGRPLPGRLNLVVSRQAGLALEGAEVFASLDAALARAEAWAQAEDADELMLIGGAQLYAEALPRAARLYLTRVGLAPEGDAFFPEIDGAAWR-LASSIEHAAADDAPAYAFEVWERR
4FHB Chain:A ((2-159))
----ISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTD-DRVTWVKSVD------EAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILERR
General information:
TITO was launched using:
RESULT:
Template:
4FHB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -93525 for 1162 contacts (-80.5/contact) +
2D Compatibility (PS) -16706 + (NN) -3947 + (LL) 1340
1D Compatibility (HY) -16000 + (ID) 3700
Total energy: -132538.0 ( -114.06 by residue)
QMean score : 0.456
(partial model without unconserved sides chains):
PDB file :
Tito_4FHB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4FHB-query.scw
PDB file :
Tito_Scwrl_4FHB.pdb
: