Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNDFSKWTGQVALISGAGSELGIGFAIARRLAREGVRLLITASSER-IRQRAEELSACGHDVRAASADLTDEAQVQGLLDWAEAQWGRVDILVNNAGMAQLDSAEPFSAVEATSLRD--WQLSLSRNLTSAFLLTRGLLP--GMRERGYGRIVNVASTTGTRGSNPGEAAYSAAKAGLVGWSMGLALEVAKSGITVNSVAPGWIAT--ASSTAEER---------QAALASPSGRAGRPEEVAAAVAFLASPEASFVNGELLVVDGGNCLIENKRS
1XR3 Chain:B ((7-257))
---------EVALVTGATS--GIGLEIARRLGKEGLRVFVCARGEEGLRTTLKELREAGVEADGRTCDVRSVPEIEALVAAVVERYGPVDVLVNNAG-------RPGGGATA-ELADELWLDVVETNLTGVFRVTKQVLKAGGMLERGTGRIVNIASTGGKQGVVHA-APYSASKHGVVGFTKALGLELARTGITVNAVCPGFVETPMAASVR---EVSTEEAFDRITARVPIGRYVQPSEVAEMVAYLIGPGAAAVTAQALNVCGG---------
General information:
TITO was launched using:
RESULT:
Template:
1XR3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -129595 for 1969 contacts (-65.8/contact) +
2D Compatibility (PS) -25537 + (NN) -14939 + (LL) 2204
1D Compatibility (HY) -16000 + (ID) 5000
Total energy: -188867.0 ( -95.92 by residue)
QMean score : 0.594
(partial model without unconserved sides chains):
PDB file :
Tito_1XR3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1XR3-query.scw
PDB file :
Tito_Scwrl_1XR3.pdb
: