Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSERGLLIVFSGPSGVGKGTVRQEIFST-PDHKFDYSVSMTTRPQRPGEVDGVDYFFRTREEFEALIKEGQMLEYAEYVGNYYGTPLSYVNETLDKGIDVFLEIEVQGALQVKSKVPDGVFIFLTPPDLEELEERLVGRGTDSPEVIAQRIERAKEEIALMREYDYAVVNDQVSLAAERVKRVIEAEHYRVDRVIGRYTNMVKETDKKLS
2ANB Chain:A ((3-203))
---QGTLYIVSAPSGAGKSSLIQALLKTQPLYDTQVSVSHTTRQPRPGEVHGEHYFFVNHDEFKEMISRDAFLEHAEVFGNYYGTSREAIEQVLATGVDVFLDIDWQGAQQIRQKMPHARSIFILPPSKIELDRRLRGRGQDSEEVIAKRMAQAVAEMSHYAEYDYLIVNDDFDTALTDLKTIIRAERLRMSRQKQRHDALISKLLAD--
General information:
TITO was launched using:
RESULT:
Template:
2ANB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -62148 for 1478 contacts (-42.0/contact) +
2D Compatibility (PS) -22164 + (NN) -15188 + (LL) 260
1D Compatibility (HY) -14400 + (ID) 4350
Total energy: -117990.0 ( -79.83 by residue)
QMean score : 0.488
(partial model without unconserved sides chains):
PDB file :
Tito_2ANB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2ANB-query.scw
PDB file :
Tito_Scwrl_2ANB.pdb
: