Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDNEKGLLIVLSGPSGVGKGTVRKRIFE-DPSTSYKYSISMTTRQMREGEVDGVDYFFKTRDAFEALIKDDQFIEYAEYVGNYYGTPVQYVKDTMDEGHDVFLEIEVEGAKQVRKKFPDALFIFLAPPSLDHLRERLVGRGTESNEKIQSRINEARKEVEMMNLYDYVVVNDEVELAKNRIQCIVEAEHLKRERVEAKYRKMILEAKK
2F3R Chain:B ((3-201))
----QGTLYIVSAPSGAGKSSLIQALLKTQPLYDTQVSVSHTTRQPRPGEVHGEHYFFVNHDEFKEMISRDAFLEHAEVFGNYYGTSREAIEQVLATGVDVFLDIDWQGAQQIRQKMPHARSIFILPPSKIELDRRLRG----SEEVIAKRMAQAVAEMSHYAEYDYLIVNDDFDTALTDLKTIIRAERLRMSRQKQRHDALI-----
General information:
TITO was launched using:
RESULT:
Template:
2F3R.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -72622 for 1419 contacts (-51.2/contact) +
2D Compatibility (PS) -21282 + (NN) -10274 + (LL) 792
1D Compatibility (HY) -13200 + (ID) 3900
Total energy: -120486.0 ( -84.91 by residue)
QMean score : 0.502
(partial model without unconserved sides chains):
PDB file :
Tito_2F3R.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2F3R-query.scw
PDB file :
Tito_Scwrl_2F3R.pdb
: