Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)



Input alignment information:
Query sequence----------------MVNYPHQLIRKTT----------VTKSKKKKIDFA-NRGMS-FEA------AINATNDYY-LSHEL-----AVIHKKPTPVQIVKVD-Y-PKRSRAKI------VEAYFRQASTTDYSGVYKGYYIDFEAKE------TRQKTAMPMKNFHAHQIEHMANVLQQKGI--CFVLLHFSTLKETYLLPANEL------ISFYQIDKGNKSMPIDYIRKNGFFVKESAFPQVPYLD---IIEEKLLGGDYN-----------
3NO2 Chain:A ((3-276))SPQHLLVGGSGWNKIAIINKDTKEIVWEYPLEKGWECNSVAATKAGEILFSYSKGAKMITRDGRELWNIAAPAGCEMQTARILPDGNALVAWCGHPSTILEVNMKGEVLSKTEFETGIERPHAQFRQINKNKKGNYLVPLFATSEVREIAPNGQLLNSVKLSGTPFSSAFLDN-GDCLVACGDAHCFVQLNLESNRIVRRVNANDIEGVQLFFVAQLFPLQNGGLYICNWQGHDREAGKGKHPQLVEIDSEGKVVWQLNDKVKFGMISTICPIRE


General information:
TITO was launched using:
RESULT:

Template: 3NO2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -24866 for 1386 contacts (-17.9/contact) +
2D Compatibility (PS) -20718 + (NN) 6069 + (LL) 208
1D Compatibility (HY) -5200 + (ID) 1750
Total energy: -46257.0 ( -33.37 by residue)
QMean score : 0.172

(partial model without unconserved sides chains):
PDB file : Tito_3NO2.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3NO2-query.scw
PDB file : Tito_Scwrl_3NO2.pdb: