Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSERGLLIVFSGPSGVGKGTVRQEIFST-PDHKFDYSVSMTTRPQRPGEVDGVDYFFRTREEFEALIKEGQMLEYAEYVGNYYGTPLSYVNETLDKGIDVFLEIEVQGALQVKSKVPDGVFIFLTPPDLEELEERLVGRGTDSPEVIAQRIERAKEEIALMREYDYAVVNDQVSLAAERVKRVIEAEHYRVDRVIGRYTNMVKETDKKLS
1S96 Chain:A ((15-215))
---QGTLYIVSAPSGAGKSSLIQALLKTQPLYDTQVSVSHTTRQPRPGEVHGEHYFFVNHDEFKEMISRDAFLEHAEVFGNYYGTSREAIEQVLATGVDVFLDIDWQGAQQIRQKMPHARSIFILPPSKIELDRRLRGRGQDSEEVIAKRMAQAVAEMSHYAEYDYLIVNDDFDTALTDLKTIIRAERLRMSRQKQRHDALISKLLAD--
General information:
TITO was launched using:
RESULT:
Template:
1S96.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -72503 for 1451 contacts (-50.0/contact) +
2D Compatibility (PS) -22335 + (NN) -15226 + (LL) 260
1D Compatibility (HY) -14400 + (ID) 4350
Total energy: -128554.0 ( -88.60 by residue)
QMean score : 0.545
(partial model without unconserved sides chains):
PDB file :
Tito_1S96.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1S96-query.scw
PDB file :
Tito_Scwrl_1S96.pdb
: