Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDFDTERVSRAVAAALVGPGGVALVVKVFAGLPGVIHTPARRGFFRS----NPERIQ----IGDWRYEVAHDGRLLAAHM--VNGIVIAEDALIAEAV------GPHLARALGQIVSRYGATVI---PNINAAIEVLGTGTDYRF--
1ASH Chain:A ((1-147))
-ANKTRELCMKSLEHAKVDTSNEARQDGIDLYKHMFENYPPLRKYFKSREEYTAEDVQNDPFFAKQGQKILLACHVLCATYDDRETFNAYTRELLDRHARDHVHMPPEVWTDFWKLFEEYLGKKTTLDEPTKQAWHEIGREFAKEINK
General information:
TITO was launched using:
RESULT:
Template:
1ASH.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -48824 for 849 contacts (-57.5/contact) +
2D Compatibility (PS) -12824 + (NN) 1802 + (LL) 208
1D Compatibility (HY) -1600 + (ID) 850
Total energy: -62088.0 ( -73.13 by residue)
QMean score : 0.169
(partial model without unconserved sides chains):
PDB file :
Tito_1ASH.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1ASH-query.scw
PDB file :
Tito_Scwrl_1ASH.pdb
: