Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSATGPFSIGERVQLTDAKGRRYTMSLTPGAEFHTHRGSIAHDAVIGLEQGSVVKSSNGALFLVLRPLLVDYVMSMPRGPQVIYPKDAAQIVHEGDIFPGARVLEAGAGSGALTLSLLRAVGPAGQVISYEQRADHAEHARRNVSGCYGQPPDNWRLVVSDLADSELPDGSVDRAVLDMLAPWEVLDAVSRLLVAGGVLMVYVATVTQLSRIVEALRAKQCWTEPRAWETLQRGWNVVGLAVRPQHSMRGHTAFLVATRRLAPGAVAPAPLGRKREGRDG
2PWY Chain:A ((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) -148180 for 1915 contacts (-77.4/contact) +
2D Compatibility (PS) -26447 + (NN) -14842 + (LL) 700
1D Compatibility (HY) -14000 + (ID) 4950
Total energy: -207719.0 ( -108.47 by residue)
QMean score : 0.495
(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
: