Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSNLYTERVLSVHHWNDTLFSFKTTRNPGLRFKTGQFVMIGLEVDGRPLMRAYSIASPNYEEHLEFFSIKVPDGPLTSRLQHLKEGDELMVSRKPTGTLVHDDLLPGKHLYLLSTGTGMAPFLSVIQDPETYERYEKVILVHGVRWVSELAYADFITKVLPEHEYFGDQVKEKLIYYPLVTREPFRNQGRQTDLMRSGKLFEDIGLPPMNPQDDRAMICGSPSMLEETSAVLDSFGLKISPRMGEPGDYLIERAFVEK
3CRZ Chain:A ((1-257))
-SNLYTERVLSVHHWNDTLFSFKTTRNPGLRFKTGQFVMIGLEVDGRPLMRAYSIASPNYEEHLEFFSIKVPDGPLTSRLQHLKEGDELMVSRKPTGTLVHDDLLPGKHLYLLSTGTGMAPFLSVIQDPETYERYEKVILVHGVRWVSELAYADFITKVLPEHEYFGDQVKEKLIYYPLVTREPFRNQGRQTDLMRSGKLFEDIGLPPMNPQDDRAMICGSPSMLEETSAVLDSFGLKISPRMGEPGDYLIERAFVEK
General information:
TITO was launched using:
RESULT:
Template:
3CRZ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -169247 for 2255 contacts (-75.1/contact) +
2D Compatibility (PS) -27629 + (NN) -12173 + (LL) 208
1D Compatibility (HY) -37600 + (ID) 12850
Total energy: -259291.0 ( -114.98 by residue)
QMean score : 0.592
(partial model without unconserved sides chains):
PDB file :
Tito_3CRZ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3CRZ-query.scw
PDB file :
Tito_Scwrl_3CRZ.pdb
: