Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MFGKSSNDTQENPKDALKSTNFHE----KHTKPTET------TELVEENKALTTEKERLERENKNLTADK---ENLTKEKTELQKQVN------ELKNSKQVLENEKADW-LREKENLTKDRENLTKEKTE-----LTEKNKVLTTEKERLATEKENLTKEKTESQKQVNELKNSKQVLENEKADL-------TNENTKLKTDKTDLTEKNQRLTTEKTELNNKITGLATEKERLAADKENLTKESRQRKPN
3VKG Chain:A ((1912-2102))
-------------RDQLEEEQLHLNIGLKKLRDTEAQVKDLQVSLAQKNRELDVKNEQANQKLKQMVQDQQAAEIKQKDARELQVQLDVRNKEIAVQKVKAYADL-----PLREEVEQLENAANELKLKQDEIVATITALEKSIATYKEEYATLIRETEQIKTESSKVKNKVDRSIALLDNLNSERGRWEQQSENFNTQMSTVVGDVVLASAFLAYIGFFDQNFRTDLMRKWMIRLDSVGIKFKSDLSVPSF
General information:
TITO was launched using:
RESULT:
Template:
3VKG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) 89097 for 762 contacts (116.9/contact) +
2D Compatibility (PS) -16696 + (NN) -13733 + (LL) 468
1D Compatibility (HY) -2800 + (ID) 2250
Total energy: 54086.0 ( 70.98 by residue)
QMean score : 0.421
(partial model without unconserved sides chains):
PDB file :
Tito_3VKG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3VKG-query.scw
PDB file :
Tito_Scwrl_3VKG.pdb
: