Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDPVSYTRKDSIAVISMD--DGKVNALGPAMQQALNAAIDNADRD-DVGALVITGNGRVFSGGFDLKILTSGEVQPAIDMLRGGFELAYRLLSYPKPVVMACTGHAIAMGA-FLLSCGDHRVAAHAYNIQANEVAIGMTIPYAALEIMKLRL-TRSAYQQATGLA---KTFFGETALAAGFIDEIALPEVVVSRAEEAAREFAGLNQHAHAATKLRSRADALTAIRAGIDGIAAEFGL
3TRR Chain:A ((5-207))
MADEVLIEQRDRVLLITINRPDAR-NAVNRAVSQGLAAAADQLDSSADLSVAIITGAGGNFCAGMDLKAFVSGE---AVLSERG---LGFTNVPPRKPIIAAVEGFALAGGTELVLSC-DLVVAGRSAKFGIPEVKRGLVAGAGGL----LRLPNRIPYQVAMELALTGESFTAEDAAKYGFINRLVDDGQALDTALELAAKITANGPLAVAATK------------------------
General information:
TITO was launched using:
RESULT:
Template:
3TRR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -134679 for 1694 contacts (-79.5/contact) +
2D Compatibility (PS) -21304 + (NN) -6302 + (LL) 2732
1D Compatibility (HY) -9600 + (ID) 3600
Total energy: -172753.0 ( -101.98 by residue)
QMean score : 0.416
(partial model without unconserved sides chains):
PDB file :
Tito_3TRR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3TRR-query.scw
PDB file :
Tito_Scwrl_3TRR.pdb
: