Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSERGLLIVFSGPSGVGKGTVRQEIFST-PDHKFDYSVSMTTRPQRPGEVDGVDYFFRTREEFEALIKEGQMLEYAEYVGNYYGTPLSYVNETLDKGIDVFLEIEVQGALQVKSKVPDGVFIFLTPPDLEELEERLVGRGTDSPEVIAQRIERAKEEIALMREYDYAVVNDQVSLAAERVKRVIEAEHYRVDRVIGRYTNMVKETDKKLS
2AN9 Chain:B ((3-203))
---QGTLYIVSAPSGAGKSSLIQALLKTQPLYDTQVSVSHTTRQPRPGEVHGEHYFFVNHDEFKEMISRDAFLEHAEVFGNYYGTSREAIEQVLATGVDVFLDIDWQGAQQIRQKMPHARSIFILPPSKIELDRRLRGRGQDSEEVIAKRMAQAVAEMSHYAEYDYLIVNDDFDTALTDLKTIIRAERLRMSRQKQRHDALISKLLA---
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) -59048 for 1435 contacts (-41.1/contact) +
2D Compatibility (PS) -22259 + (NN) -14721 + (LL) 324
1D Compatibility (HY) -14400 + (ID) 4350
Total energy: -114454.0 ( -79.76 by residue)
QMean score : 0.536
(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
: