Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSATGPFSIGERVQLTDAKGRRYTMSLTPGAEFHTHRGSIAHDAVIGLEQGSVVKSSNGALFLVLRPLLVDYVMSMPRGPQVIYPKDAAQIVHEGDIFPGARVLEAGAGSGALTLSLLRAVGPAGQVISYEQRADHAEHARRNVSGCYGQPPDNWRLVVSDLADSELPDGSVDRAVLDMLAPWEVLDAVSRLLVAGGVLMVYVATVTQLSRIVEALRAKQCWTEPRAWETLQRGWNVVGLAVRPQHSMRGHTAFLVATRRLAPGAVAPAPLGRKREGRDG
1O54 Chain:A ((17-275))
---ADTLKPGDRVLLSFEDESEFLVDLEKDKKLHTHLGIIDLNEVFEKGPGEIIRTSAGKKGYILIPSLIDEIMNMKR-TQIVYPKDSSFIAMMLDVKEGDRIIDTGVGSGAMCAVLARAVGSSGKVFAYEKREEFAKLAESNLTKWG--LIERVTIKVRDISEG-FDEKDVDALFLDVPDPWNYIDKCWEALKGGGRFATVCPTTNQVQETLKKLQEL-PFIRIEVWESLFRPYKPVPERLRPVDRMVAHTAYMIFATKVCRREE--------------
General information:
TITO was launched using:
RESULT:
Template:
1O54.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -159951 for 1979 contacts (-80.8/contact) +
2D Compatibility (PS) -28114 + (NN) -16835 + (LL) 384
1D Compatibility (HY) -16800 + (ID) 3700
Total energy: -225016.0 ( -113.70 by residue)
QMean score : 0.466
(partial model without unconserved sides chains):
PDB file :
Tito_1O54.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1O54-query.scw
PDB file :
Tito_Scwrl_1O54.pdb
: