Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTKIYHMILCNSDIMKILAIIKSLPLNDCWLCAGTLRNFIWNKLSGINETLTSDIDVVFFDKNISYEETVVLEQQ--LKDNYPQY-------DWELKNEFYMNTHSPNTPKYTSSKDAISKFPEKCTAVGARLDDRNQLELYLPY-GEEEILNFIVSPT--P--YFEEDLLRYNVYLKRVDKKKWNNIWPRLTIIKK
3AQL Chain:A ((17-178))
---------ISENALKVMYRLNKAG-YEAWLVGGGVRDLLLG----KK---PKDFDVTT-NATPEQ-VRKLFRNCRLVGRRFRLAHVMFGPEIIEVAT-FRG-------NIFGSIEEDAQRRDFTINSLYYSVAD---FTVRDYVGGMKDLKDGVIRLIGNPETRYREDPVRMLRAVRFAAKLGMRISPETAEPIPR
General information:
TITO was launched using:
RESULT:
Template:
3AQL.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -55675 for 880 contacts (-63.3/contact) +
2D Compatibility (PS) -12905 + (NN) -1598 + (LL) 2100
1D Compatibility (HY) -4800 + (ID) 800
Total energy: -73678.0 ( -83.72 by residue)
QMean score : 0.205
(partial model without unconserved sides chains):
PDB file :
Tito_3AQL.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3AQL-query.scw
PDB file :
Tito_Scwrl_3AQL.pdb
: