Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSAFITFEGPEGSGKTTVINEVYHRLVKDY--DVIMTREPGGVPTGEEIRKIVLE---GNDMDIRTEAMLFAASRREHLVLKVI-PALKEGKVVLCDRYIDSSLAYQGYARGIGVEEVRALNEFAINGLYPDLTIYLNVSAEVGRERIIKNSRDQNRLDQEDLKFHEKVIEGYQEIIHNESQRFKSVNADQPLENVVEDTYQTIIKYLEKI
3N2I Chain:B ((27-233))
-AKFIVIEGLEGAGKSTAIQVVVETLQQNGIDHITRTREPGGTLLAEKLRALVKEEHPGEELQDITELLLVYAARVQ-LVENVIKPALARGEWVVGDRHDMSSQAYQGGGRQIAPSTMQSLKQTALGDFKPDLTLYLDIDPKLGLER-ARGRGELDRIEKMDISFFERARERYLE-LANSDDSVVMIDAAQSIEQVTADIRRALQDWLSQV
General information:
TITO was launched using:
RESULT:
Template:
3N2I.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -66220 for 1582 contacts (-41.9/contact) +
2D Compatibility (PS) -22066 + (NN) -11093 + (LL) 660
1D Compatibility (HY) -10000 + (ID) 3600
Total energy: -112319.0 ( -71.00 by residue)
QMean score : 0.587
(partial model without unconserved sides chains):
PDB file :
Tito_3N2I.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3N2I-query.scw
PDB file :
Tito_Scwrl_3N2I.pdb
: