Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDNEKGLLIVLSGPSGVGKGTVRKRIFE-DPSTSYKYSISMTTRQMREGEVDGVDYFFKTRDAFEALIKDDQFIEYAEYVGNYYGTPVQYVKDTMDEGHDVFLEIEVEGAKQVRKKFPDALFIFLAPPSLDHLRERLVGRGTESNEKIQSRINEARKEVEMMNLYDYVVVNDEVELAKNRIQCIVEAEHLKRERVEAKYRKMILEAKK
2ANB Chain:A ((3-201))
----QGTLYIVSAPSGAGKSSLIQALLKTQPLYDTQVSVSHTTRQPRPGEVHGEHYFFVNHDEFKEMISRDAFLEHAEVFGNYYGTSREAIEQVLATGVDVFLDIDWQGAQQIRQKMPHARSIFILPPSKIELDRRLRGRGQDSEEVIAKRMAQAVAEMSHYAEYDYLIVNDDFDTALTDLKTIIRAERLRMSRQKQRHDALI-----
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) -59021 for 1475 contacts (-40.0/contact) +
2D Compatibility (PS) -21625 + (NN) -10507 + (LL) 708
1D Compatibility (HY) -13200 + (ID) 4000
Total energy: -107645.0 ( -72.98 by residue)
QMean score : 0.453
(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
: