Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDPVSYTRKDSIAVISMD-DGKVNALGPAMQQALNAAIDNADRD-DVGALVITGNGRVFSGGFDLKILTSGEVQPAID-MLRGGFELAYRLLSYPKPVVMACTGHAIAMGAFLLSCGDHRVAAHAYNIQANEVAIGMTIPYAALEIMKLRLTRSAY-QQATGLAKTFFGETALAAGFIDEIALPEVVVSRAEEAAREFAGLNQHAHAATKLRSRADALTAIRAGIDGIAAEFGL
3HRX Chain:A ((2-205))
----VLKERQDGVLVLTLNRPEKLNAITGELLDALYAALKEGEEDREVRALLLTGAGRAFSAGQDLT--EFGDRKPDYEAHLRRYNRVVEALSGLEKPLVVAVNGVAAGAGMSLALWGDLRLAAVGASFTTAFVRIGL-VPDSGLSFLLPRLVGLAKAQELLLLSPRLSAEEALALGLVHRVVPAEKLMEEALSLAKELAQGPTRAYALTK------------------------
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) -145634 for 1723 contacts (-84.5/contact) +
2D Compatibility (PS) -21764 + (NN) -11009 + (LL) 2292
1D Compatibility (HY) -10400 + (ID) 3300
Total energy: -189815.0 ( -110.17 by residue)
QMean score : 0.459
(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
: