Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSATGPFSIGERVQLTDAKGRRYTMSLTPGAEFHTHRGSIAHDAVIGLEQGSVVKSSNGALFLVLRPLLVDYVMSMPRGPQVIYPKDAAQIVHEGDIFPGARVLEAGAGSGALTLSLLRAVGPAGQVISYEQRADHAEHARRNVSGCYGQPPDNWRLVVSDLADSELPDGSVDRAVLDMLAPWEVLDAVSRLLVAGGVLMVYVATVTQLSRIVEALRAKQCWTEPRAWETLQRGWNVVGLAVRPQHSMRGHTAFLVATRRLAPGAVAPAPLGRKREGRDG
2PWY Chain:B ((12-254))
--------------LKDRKGRAYLVFPKEGGVFHHHKGSVPHEALLEAGPGGVVRTHLGEELSVHRPTLEEYLLHMKRSATPTYPKDASAMVTLLDLAPGMRVLEAGTGSGGLTLFLARAVGEKGLVESYEARPHHLAQAERNVRAFWQV--ENVRFHLGKLEEAELEEAAYDGVALDLMEPWKVLEKAALALKPDRFLVAYLPNITQVLELVRAAEAHPFRLE-RVLEVGWREWEVRLPVAHPRFQQVGHTAFLVALRR--------------------
General information:
TITO was launched using:
RESULT:
Template:
2PWY.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -152894 for 1918 contacts (-79.7/contact) +
2D Compatibility (PS) -26507 + (NN) -14446 + (LL) 700
1D Compatibility (HY) -14000 + (ID) 4850
Total energy: -211997.0 ( -110.53 by residue)
QMean score : 0.487
(partial model without unconserved sides chains):
PDB file :
Tito_2PWY.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2PWY-query.scw
PDB file :
Tito_Scwrl_2PWY.pdb
: