Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNLIPTVIEQTSRGERAYDIYSRLLKDRIIMLGSAIDDNVANSIVSQLLFLDAQDPEKDIFLYINSPGGSISAGMAIYDTMNFVKADVQTIGMGMAASMGSFLLTAGANGKRFALPNAEIMIHQPLGGAQGQATEIEIAARHILKIKERMNTIMAEKTGQPYEVIARDTDRDNFMTAQEAKDYGLIDDIIINKSGLKG
3KTJ Chain:F ((18-191))
------------------DIYSRLLKDRIIMLGSAIDDNVANSIVSQLLFLAAEDPEKEISLYINSPGGSITAGMAIYDTMQFIKPKVSTICIGMAASMGAFLLAAGEKGKRYALPNSEVMIHQPLGGAQGQATEIEIAAKRILLLRDKLNKVLAERTGQPLEVIERDTDRDNFKSAEEALEYGLIDKILTH------
General information:
TITO was launched using:
RESULT:
Template:
3KTJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -121384 for 1299 contacts (-93.4/contact) +
2D Compatibility (PS) -19126 + (NN) -8952 + (LL) 1364
1D Compatibility (HY) -22000 + (ID) 6600
Total energy: -176698.0 ( -136.03 by residue)
QMean score : 0.580
(partial model without unconserved sides chains):
PDB file :
Tito_3KTJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KTJ-query.scw
PDB file :
Tito_Scwrl_3KTJ.pdb
: