Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDPVSYTRKDSIAVISMDDGK-VNALGPAMQQALNAAIDNADRDD-VGALVITGNGRVFSGGFDLKILTSGEVQPAIDMLRGGFELAYRLLSYPKPVVMACTGHAIAMGAFLLSCGDHRVAAHAYNIQANEVAIGMTIPYAALEIMKLRLTRSAYQQATGLAKTFFGETALAAGFIDEIALPEVVVSRAEEAAREFAGLNQHAHAATKLRSRADALTAIRAGIDGIAAEFGL
3HRX Chain:A ((2-222))
----VLKERQDGVLVLTLNRPEKLNAITGELLDALYAALKEGEEDREVRALLLTGAGRAFSAGQDLTEFGDRKPDY-EAHLRRYNRVVEALSGLEKPLVVAVNGVAAGAGMSLALWGDLRLAAVGASFTTAFVRIGLVPDSGLSFLLPRLVGLAKAQELLLLSPRLSAEEALALGLVHRVVPAEKLMEEALSLAKELAQGPTRAYALTKKLLLETYRLSLTEALAL-------
General information:
TITO was launched using:
RESULT:
Template:
3HRX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -161640 for 1842 contacts (-87.8/contact) +
2D Compatibility (PS) -23798 + (NN) -10520 + (LL) 840
1D Compatibility (HY) -8000 + (ID) 2900
Total energy: -206018.0 ( -111.84 by residue)
QMean score : 0.484
(partial model without unconserved sides chains):
PDB file :
Tito_3HRX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3HRX-query.scw
PDB file :
Tito_Scwrl_3HRX.pdb
: