Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSGTLYIVSAPSGAGKTSLVKALLDAAPE-VRVSVSHTTRGMRPGEVDGVNYHFTSREEFLAMLERNEFLEHAEVFGNLYGTSQRWVEKTLAEGLDLILEIDWQGAQQVRRLMPE--AQSIFILPPSQEALRQRLTNRGQDSDEVIERRMREAVSEMSHYVE---YDHLVINDDFAHALDDLKAIFRARQLRQDAQQQRHAELLGRLLA
1GKY Chain:A ((5-186))
------VISGPSGTGKSTLLKKLFAEYPDSFGFSVSSTTRTPRAGEVNGKDYNFVSVDEFKSMIKNNEFIEWAQFSGNYYGSTVASVKQVSKSGKTCILDIDMQGVKSVKAI-PELNARFLFIAPPSVEDLKKRLEGRGTETEESINKRLSAAQAELA-YAETGAHDKVIVNDDLDKAYKELKDFIFAEK-------------------
General information:
TITO was launched using:
RESULT:
Template:
1GKY.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -58922 for 1262 contacts (-46.7/contact) +
2D Compatibility (PS) -19970 + (NN) -13540 + (LL) 2572
1D Compatibility (HY) -13200 + (ID) 3700
Total energy: -106760.0 ( -84.60 by residue)
QMean score : 0.564
(partial model without unconserved sides chains):
PDB file :
Tito_1GKY.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1GKY-query.scw
PDB file :
Tito_Scwrl_1GKY.pdb
: