Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSGTLYIVSAPSGAGKTSLVKALLDAAP--EVRVSVSHTTRGMRPGEVDGVNYHFTSREEFLAMLERNEFLEHAEVFGNLYGTSQRWVEKTLAEGLDLILEIDWQGAQQVRRLMPEAQSIFILPPSQEALRQRLTNRGQDSDEVIERRMREAVSEMSHYVEYDHLVINDDFAHALDDLKAIFRARQLRQDAQQQRHAELLGRLLA
2AN9 Chain:A ((4-206))
--GTLYIVSAPSGAGKSSLIQALLKTQPLYDTQVSVSHTTRQPRPGEVHGEHYFFVNHDEFKEMISRDAFLEHAEVFGNYYGTSREAIEQVLATGVDVFLDIDWQGAQQIRQKMPHARSIFILPPSKIELDRRLRGRGQDSEEVIAKRMAQAVAEMSHYAEYDYLIVNDDFDTALTDLKTIIRAERLRMSRQKQRHDALISKLLA
General information:
TITO was launched using:
RESULT:
Template:
2AN9.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -73970 for 1439 contacts (-51.4/contact) +
2D Compatibility (PS) -23093 + (NN) -18029 + (LL) 180
1D Compatibility (HY) -20400 + (ID) 6300
Total energy: -141612.0 ( -98.41 by residue)
QMean score : 0.544
(partial model without unconserved sides chains):
PDB file :
Tito_2AN9.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2AN9-query.scw
PDB file :
Tito_Scwrl_2AN9.pdb
: