Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSNLYTERVLSVHHWNDTLFSFKTTRNPGLRFKTGQFVMIGL-EVDGRPLMRAYSIASPNYEEHLEFFSIKVPDGPLTSRLQHLKEGDELMVSRKPTGTLVHDDLLPGKHLYLLSTGTGMAPFLSVIQDPETYERYEKVILVHGVRWVSELAYADFITKVLPEHEYFGDQVKEKLIYYPLVTREPFRNQGRQTDLMRSGKLFEDIGLPPMNPQDDRAMICGSPSMLEETSAVLDSFGLKISPRMGEPGDYLIERAFVEK
2BGJ Chain:D ((18-268))
-----AQTVTSVRHWTDTLFSFRVTRPQTLRFRSGEFVMIGLLDDNGKPIMRAYSIASPAWDEELEFYSIKVPDGPLTSRLQHIKVGEQIILRPKPVGTLVIDALLPGKRLWFLATGTGIAPFASLMREPEAYEKFDEVIMMHACRTVAELEYGRQLVEALQEDPLIGELVEGKLKYYPTTTREEFHHMGRITDNLASGKVFEDLGIAPMNPETDRAMVCGSLAFNVDVMKVLESYGLREGAN-SEPREFVVEKAFV--
General information:
TITO was launched using:
RESULT:
Template:
2BGJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -155019 for 2093 contacts (-74.1/contact) +
2D Compatibility (PS) -27134 + (NN) -12530 + (LL) 744
1D Compatibility (HY) -26800 + (ID) 6750
Total energy: -227489.0 ( -108.69 by residue)
QMean score : 0.553
(partial model without unconserved sides chains):
PDB file :
Tito_2BGJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2BGJ-query.scw
PDB file :
Tito_Scwrl_2BGJ.pdb
: