Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSKLLSGQVALVTGGAAGIGRATALAFAAAGVKVVVADLDSAGGEGTVEAIRQAGGEALFIRCDVTRDAEVKALVEGCAAAYGRLDYAFNNAGIEIEQGKLADGN---------EAEFDAIMAVNVKGVWLCMKHQIPLMLAQGGGAIVNTASVAGLGAAPKMSIYAASKHAVIGLTKSAAIEYAKKGIRVNAVCPAVIDTDMFRRAYEADPRKAEFAAAMHPLGRVGRVEEIAAAVLYLCCDNAGFTTGIALPVDGGATAI
4NBW Chain:C ((6-252))
-------RVAIITGAANGIGRATALEFAQAGYHVVAWDLAEEAGAALIAEIADAGGSADFARVDVSAAESVEAAVAEIIAEHGRVDVLVNNAGI-LHDGQLVKVKGGEVVKKMAEAQFDAVISVNLKGVFLCTQAVAPHMIAAKYGRILNASSVVGLYGNFGQTNYVAAKSGVIGMTKVWARELGRYGITVNAIAPGFIATEMVQQMPE---RVLEAMVARTPVGRIGDPVDIARAYLFLASEESGFISGTTLSVDGGMVVG
General information:
TITO was launched using:
RESULT:
Template:
4NBW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -166682 for 2007 contacts (-83.1/contact) +
2D Compatibility (PS) -26052 + (NN) -10770 + (LL) 428
1D Compatibility (HY) -16800 + (ID) 5350
Total energy: -225226.0 ( -112.22 by residue)
QMean score : 0.515
(partial model without unconserved sides chains):
PDB file :
Tito_4NBW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4NBW-query.scw
PDB file :
Tito_Scwrl_4NBW.pdb
: