Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSTTLAIVRLD--PGLPLPSRAHDGDAGVDLYSA--EDVE--LAPGRRALVRTGVAVAVPFGMVGLVHPRSGLATRVGLSIVNSPGTIDAGYRGEIKVALINLDPAAPIVVHRGDRIAQLLVQRVELVELVEVSSFDEAGLASTSRGDGGHGSSGGHASL
3MDX Chain:A ((31-172))
---TLGIIRLEHAKGLDLPAYETAGSAGMDLRAAVAEDRQIVLLPGRRTLVPTGLILEIPQGYEVQIRPRSGLAFKNGITCLNTPGTIDSDYRGEVKVLLINLGD-DDFRIERGMRIAQAV-----FAPVIQPKIEERAK-----RGAGGF---------
General information:
TITO was launched using:
RESULT:
Template:
3MDX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -85200 for 824 contacts (-103.4/contact) +
2D Compatibility (PS) -14628 + (NN) -8464 + (LL) 1164
1D Compatibility (HY) -9200 + (ID) 3100
Total energy: -119428.0 ( -144.94 by residue)
QMean score : 0.520
(partial model without unconserved sides chains):
PDB file :
Tito_3MDX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3MDX-query.scw
PDB file :
Tito_Scwrl_3MDX.pdb
: