Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSKLLSGQVALVTGGAAGIGRATALAFAAAGVKVVVADLDSAGGEGTVEAIRQAGGEALFIRCDVTRDAEVKALVEGCAAAYGRLDYAFNNAGIEIEQGKLADGNEAEFDAIMAVNVKGVWLCMKHQIPLMLAQGGGAIVNTASVAG-----LGAAPKMSIYAASKHAVIGLTKSAAIEYAKKGIRVNAVCPAVIDTDM-FRRAYEADPRKAEFAAAMHPLGRVGRVEEIAAAVLYLCCDNAGFTTGIALPVDGGATAI
3TOX Chain:F ((4-254))
-SRL-EGKIAIVTGASSGIGRAAALLFAREGAKVVVTARNGNALAELTDEIAGGGGEAAALAGDVGDEALHEALVELAVRRFGGLDTAFNNAGALGAMGEISSLSVEGWRETLDTNLTSAFLAAKYQVPAIAALGGGSLTFTSSFVGHTAGFAGVAP----YAASKAGLIGLVQALAVELGARGIRVNALLPGGTDTPANFAN-----PETRGFVEGLHALKRIARPEEIAEAALYLASDGASFVTGAALLADGGASVT
General information:
TITO was launched using:
RESULT:
Template:
3TOX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -169345 for 2087 contacts (-81.1/contact) +
2D Compatibility (PS) -26631 + (NN) -13738 + (LL) 1240
1D Compatibility (HY) -8000 + (ID) 5150
Total energy: -221624.0 ( -106.19 by residue)
QMean score : 0.515
(partial model without unconserved sides chains):
PDB file :
Tito_3TOX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3TOX-query.scw
PDB file :
Tito_Scwrl_3TOX.pdb
: