Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSKLLSGQVALVTGGAAGIGRATALAFAAAGVKVVVADLDSAGGEGTVEAIRQAGGEALF--IRCDVTRDAEVKALVEGCAAAYGRLDYAFNNAGIEIEQGKLADGNEAEFDAIMAVNVKGVWLCMKHQIPLMLAQGGGAIVNTASVAGLGAAPKMSIYAASKHAVIGLTKSAAIEYAKKGIRVNAVCPAVIDTDMFRRAYE----ADPRKAEFAAA----MHPLGRVGRVEEIAAAVLYLCCDNAGFTTGIALPVDGGATAI
2DTE Chain:B ((6-247))
----LRDKVVIVTGASMGIGRAIAERFVDEGSKVI--DLSI-----------HDPGEAKYDHIECDVTNPDQVKASIDHIFKEYGSISVLVNNAGIE-SYGKIESMSMGEWRRIIDVNLFGYYYASKFAIPYMIRSRDPSIVNISSVQASIITKNASAYVTSKHAVIGLTKSIALDYAPL-LRCNAVCPATIDTPLVRKAAELEVGSDPMRIEKKISEWGHEHPMQRIGKPQEVASAVAFLASREASFITGTCLYVDGGLSIR
General information:
TITO was launched using:
RESULT:
Template:
2DTE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -165476 for 2009 contacts (-82.4/contact) +
2D Compatibility (PS) -25745 + (NN) -12846 + (LL) 1316
1D Compatibility (HY) -16400 + (ID) 5100
Total energy: -224251.0 ( -111.62 by residue)
QMean score : 0.544
(partial model without unconserved sides chains):
PDB file :
Tito_2DTE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2DTE-query.scw
PDB file :
Tito_Scwrl_2DTE.pdb
: