Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSNLYTERVLSVHHWNDTLFSFKTTRNPGLRFKTGQFVMIGL-EVDGRPLMRAYSIASPNYEEHLEFFSIKVPDGPLTSRLQHLKEGDELMVSRKPTGTLVHDDLLPGKHLYLLSTGTGMAPFLSVIQDPETYERYEKVILVHGVRWVSELAYADFITKVLPEHEYFGDQVKEKLIYYPLVTREPFRNQGRQTDLMRSGKLFEDIGLPPMNPQDDRAMICGSPSMLEETSAVLDSFGLKISPRMGEPGDYLIERAFVEK
2BGI Chain:A ((18-268))
-----AQTVTSVRHWTDTLFSFRVTRPQTLRFRSGEFVMIGLLDDNGKPIMRAYSIASPAWDEELEFYSIKVPDGPLTSRLQHIKVGEQIILRPKPVGTLVIDALLPGKRLWFLATGTGIAPFASLMREPEAYEKFDEVIMMHACRTVAELEYGRQLVEALQEDPLIGELVEGKLKYYPTTTREEFHHMGRITDNLASGKVFEDLGIAPMNPETDRAMVCGSLAFNVDVMKVLESYGLREGAN-SEPREFVVEKAFV--
General information:
TITO was launched using:
RESULT:
Template:
2BGI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -145922 for 2107 contacts (-69.3/contact) +
2D Compatibility (PS) -27099 + (NN) -12280 + (LL) 744
1D Compatibility (HY) -26800 + (ID) 6750
Total energy: -218107.0 ( -103.52 by residue)
QMean score : 0.592
(partial model without unconserved sides chains):
PDB file :
Tito_2BGI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2BGI-query.scw
PDB file :
Tito_Scwrl_2BGI.pdb
: