Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSNLYTERVLSVHHWNDTLFSFKTTRNPGLRFKTGQFVMIGL-EVDGRPLMRAYSIASPNYEEHLEFFSIKVPDGPLTSRLQHLKEGDELMVSRKPTGTLVHDDLLPGKHLYLLSTGTGMAPFLSVIQDPETYERYEKVILVHGVRWVSELAYADFITKVLPEHEYFGDQVKEKLIYYPLVTREPFRNQGRQTDLMRSGKLFEDIGLPPMNPQDDRAMICGSPSMLEETSAVLDSFGLKISPRMGEPGDYLIERAFVEK
2VNK Chain:C ((18-268))
-----AQTVTSVRHWTDTLFSFRVTRPQTLRFRSGEFVMIGLLDDNGKPIMRAYSIASPAWDEELEFYSIKVPDGPLTSRLQHIKVGEQIILRPKPVGTLVIDALLPGKRLWFLATGTGIAPFASLMREPEAYEKFDEVIMMHACRTVAELEYGRQLVEALQEDPLIGELVEGKLKYYPTTTREEFHHMGRITDNLASGKVFEDLGIAPMNPETDRAMVCGSLAFNVDVMKVLESYGLREGAN-SEPREFVVEKAFV--
General information:
TITO was launched using:
RESULT:
Template:
2VNK.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -151967 for 2090 contacts (-72.7/contact) +
2D Compatibility (PS) -26939 + (NN) -10746 + (LL) 744
1D Compatibility (HY) -26800 + (ID) 6750
Total energy: -222458.0 ( -106.44 by residue)
QMean score : 0.558
(partial model without unconserved sides chains):
PDB file :
Tito_2VNK.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2VNK-query.scw
PDB file :
Tito_Scwrl_2VNK.pdb
: