Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSNLYTERVLSVHHWNDTLFSFKTTRNPGLRFKTGQFVMIGLEVDGRPLMRAYSIASPNYEEHLEFFSIKVPDGPLTSRLQHLKEGDELMVSRKPTGTLVHDDLLPGKHLYLLSTGTGMAPFLSVIQDPETYERYEKVILVHGVRWVSELAYADFITKVLPEHEYFGDQVKEKLIYYPLVTREPFRNQGRQTDLMRSGKLFEDIGLPPMNPQDDRAMICGSPSMLEETSAVLDSFGLKISPRMGEPGDYLIERAFVEK
1A8P Chain:A ((2-258))
-SNLNVERVLSVHHWNDTLFSFKTTRNPSLRFENGQFVMIGLEVDGRPLMRAYSIASPNYEEHLEFFSIKVQNGPLTSRLQHLKEGDELMVSRKPTGTLVTSDLLPGKHLYMLSTGTGLAPFMSLIQDPEVYERFEKVVLIHGVRQVNELAYQQFITEHLPQSEYFGEAVKEKLIYYPTVTRESFHNQGRLTDLMRSGKLFEDIGLPPINPQDDRAMICGSPSMLDESCEVLDGFGLKISPRMGEPGDYLIERAFVEK
General information:
TITO was launched using:
RESULT:
Template:
1A8P.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -158124 for 2126 contacts (-74.4/contact) +
2D Compatibility (PS) -27967 + (NN) -14250 + (LL) 208
1D Compatibility (HY) -34400 + (ID) 11000
Total energy: -245533.0 ( -115.49 by residue)
QMean score : 0.588
(partial model without unconserved sides chains):
PDB file :
Tito_1A8P.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1A8P-query.scw
PDB file :
Tito_Scwrl_1A8P.pdb
: