Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSNLYTERVLSVHHWNDTLFSFKTTRNPGLRFKTGQFVMIGL-EVDGRPLMRAYSIASPNYEEHLEFFSIKVPDGPLTSRLQHLKEGDELMVSRKPTGTLVHDDLLPGKHLYLLSTGTGMAPFLSVIQDPETYERYEKVILVHGVRWVSELAYADFITKVLPEHEYFGDQVKEKLIYYPLVTREPFRNQGRQTDLMRSGKLFEDIGLPPMNPQDDRAMICGSPSMLEETSAVLDSFGLKISPRMGEPGDYLIERAFVEK
2VNJ Chain:A ((18-268))
-----AQTVTSVRHWTDTLFSFRVTRPQTLRFRSGEFVMIGLLDDNGKPIMRAYSIASPAWDEELEFYSIKVPDGPLTSRLQHIKVGEQIILRPKPVGTLVIDALLPGKRLWFLATGTGIAPFASLMREPEAYEKFDEVIMMHACRTVAELEYGRQLVEALQEDPLIGELVEGKLKYYPTTTREEFHHMGRITDNLASGKVFEDLGIAPMNPETDRAMVCGSLAFNVDVMKVLESYGLREGAN-SEPREFVVEKAFV--
General information:
TITO was launched using:
RESULT:
Template:
2VNJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -146406 for 2097 contacts (-69.8/contact) +
2D Compatibility (PS) -27176 + (NN) -14141 + (LL) 744
1D Compatibility (HY) -26800 + (ID) 6750
Total energy: -220529.0 ( -105.16 by residue)
QMean score : 0.534
(partial model without unconserved sides chains):
PDB file :
Tito_2VNJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2VNJ-query.scw
PDB file :
Tito_Scwrl_2VNJ.pdb
: