Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNDFSKWTGQVALISGAGSELGIGFAIARRLAREGVRLLITASSER-IRQRAEELSACGHDVRAASADLTDEAQVQGLLDWAEAQWGRVDILVNNAGMAQLDSAEPFSAVEATSLRD--WQLSLSRNLTSAFLLTRGLLP--GMRERGYGRIVNVASTTGTRGSNPGEAAYSAAKAGLVGWSMGLALEVAKSGITVNSVAPGWIAT----------------ASSTAEERQAALASPSGRAGRPEEVAAAVAFLASPEASFVNGELLVVDGGNCLIENKRS
4DC1 Chain:B ((27-277))
---------EVALVTGATS--GIGLEIARRLGKEGLRVFVCARGEEGLRTTLKELREAGVEADGRTCDVRSVPEIEALVAAVVERYGPVDVLVNNAG-------RPGGGATA-ELADELWLDVVETNLTGVFRVTKQVLKAGGMLERGTGRIVNIASTGGKQGVVHA-APYSASKHGVVGFTKALGLELARTGITVNAVCPGFVETPMAASVREHFSDIWEVSTEEAFDRITARV-PIGRYVQPSEVAEMVAYLIGPGAAAVTAQALNVCGG---------
General information:
TITO was launched using:
RESULT:
Template:
4DC1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -124199 for 1955 contacts (-63.5/contact) +
2D Compatibility (PS) -25447 + (NN) -13409 + (LL) 1868
1D Compatibility (HY) -16000 + (ID) 5050
Total energy: -182237.0 ( -93.22 by residue)
QMean score : 0.583
(partial model without unconserved sides chains):
PDB file :
Tito_4DC1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4DC1-query.scw
PDB file :
Tito_Scwrl_4DC1.pdb
: