Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
--MRRKSMTTTFKIIRG---YYLTGVGQEPSAYYFK----IRDDFPEFETLKSGDVA---LTFYQNGEAITSLPALIR-IDGVIEAEKQVLEFLQSEKKDHLPMLPLVALYEQFDPLQFNTVMEVFDNLKAEIKRL-AKVNYVQGDLFDFMQEGEG-
1ASH Chain:A ((1-147))
ANKTRELCMKSLEHAKVDTSNEARQDGIDLYKHMFENYPPLRKYFKSREEYTAEDVQNDPFFAKQGQKILLACHVLCATYDDRETFNAYTRELLDRHARDHVHM----------PPEVWTDFWKLFEEYLGKKTTLDEPTKQAWHEIGREFAKEINK
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) -39355 for 903 contacts (-43.6/contact) +
2D Compatibility (PS) -13725 + (NN) -3018 + (LL) 1172
1D Compatibility (HY) -2000 + (ID) 950
Total energy: -57876.0 ( -64.09 by residue)
QMean score : 0.285
(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
: