Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNLIPTVIEQTSRGERAYDIYSRLLKDRIIMLGSAIDDNVANSIVSQLLFLDAQDPEKDIFLYINSPGGSISAGMAIYDTMNFVKADVQTIGMGMAASMGSFLLTAGANGKRFALPNAEIMIHQPLGGAQGQATEIEIAARHILKIKERMNTIMAEKTGQPYEVIARDTDRDNFMTAQEAKDYGLIDDIIINKSGLKG
3KTG Chain:A ((3-191))
---IPTVI--------AYDIYSRLLKDRIIMLGSAIDDNVANSIVSQLLFLAAEDPEKEISLYINSPGGSITAGMAIYDTMQFIKPKVSTICIGMAASMGAFLLAAGEKGKRYALPNSEVMIHQPLGGAQGQATEIEIAAKRILLLRDKLNKVLAERTGQPLEVIERDTDRDNFKSAEEALEYGLIDKILTH------
General information:
TITO was launched using:
RESULT:
Template:
3KTG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -128603 for 1383 contacts (-93.0/contact) +
2D Compatibility (PS) -19733 + (NN) -9019 + (LL) 616
1D Compatibility (HY) -23600 + (ID) 6950
Total energy: -187289.0 ( -135.42 by residue)
QMean score : 0.522
(partial model without unconserved sides chains):
PDB file :
Tito_3KTG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KTG-query.scw
PDB file :
Tito_Scwrl_3KTG.pdb
: