Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKGLMISFEGPDGAGKTTVLEAVLPLLREKLSQDILTTREPGGVTISEEIRHIILDVKHT--QMDKKTELLLYMAARRQHLVEKVL-PALEEGKIVLMDRFIDSSVAYQGSGRGLDKSHIKWLNDYATDSHKPDLTLYFDVPSEVGLERIQKSVQREVNRLDLEQLDMHQRVRQGYLELADSEPNRIVTIDASQQLDEVIAETFSIILDRINQ
3N2I Chain:A ((29-232))
-----FIVIEGLEGAGKSTAIQVVVETLQQNGIDHITRTREPGGTLLAEKLRALVKE-EHPGEELQDITELLLVYAARVQ-LVENVIKPALARGEWVVGDRHDMSSQAYQGGGRQIAPSTMQSLKQTALGDFKPDLTLYLDIDPKLGLERARG----ELDRIEKMDISFFERARERYLELANSD-DSVVMIDAAQSIEQVTADIRRALQDWLSQ
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) -75575 for 1557 contacts (-48.5/contact) +
2D Compatibility (PS) -21783 + (NN) -11280 + (LL) 820
1D Compatibility (HY) -12800 + (ID) 4100
Total energy: -124718.0 ( -80.10 by residue)
QMean score : 0.544
(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
: