Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNLIPTVIEQTSRGERAYDIYSRLLKDRIIMLGSAIDDNVANSIVSQLLFLDAQDPEKDIFLYINSPGGSISAGMAIYDTMNFVKADVQTIGMGMAASMGSFLLTAGANGKRFALPNAEIMIHQPLGGAQGQATEIEIAARHILKIKERMNTIMAEKTGQPYEVIARDTDRDNFMTAQEAKDYGLIDDIIINKSGLKG
3KTI Chain:G ((18-191))
------------------DIYSRLLKDRIIMLGSAIDDNVANSIVSQLLFLAAEDPEKEISLYINSPGGSITAGMAIYDTMQFIKPKVSTICIGMAASMGAFLLAAGEKGKRYALPNSEVMIHQPLGGAQGQATEIEIAAKRILLLRDKLNKVLAERTGQPLEVIERDTDRDNFKSAEEALEYGLIDKILTH------
General information:
TITO was launched using:
RESULT:
Template:
3KTI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -119574 for 1346 contacts (-88.8/contact) +
2D Compatibility (PS) -18956 + (NN) -6941 + (LL) 1364
1D Compatibility (HY) -22000 + (ID) 6600
Total energy: -172707.0 ( -128.31 by residue)
QMean score : 0.608
(partial model without unconserved sides chains):
PDB file :
Tito_3KTI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KTI-query.scw
PDB file :
Tito_Scwrl_3KTI.pdb
: