Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MCPCPHSQAQGETDGEAEWHNAALDFTHAMSYGDYLKLDKVLDAQFPLSPDHNEMLFIIQHQTSELWMKLMLHELRAAREHVKSGKLGPALKMLARVSRIFDQLVHAWAVLATMTPTEYNTIRPYLGQSSGFQSYQYREIEFILGNKNATLLKPHAHRAELLAALEQALHTPSLYDEAIRLMAAQGLPVSQERLARDAAAGTCYEASVEAAWRQVYQAPERYWDLYQLAEKLIDLEDSFRQWRFRHVTTVERIIGFKPGTGGTEGVGYLRSMLDTILFPELWRLRSNL
2NOX Chain:G ((22-281))
----------------------------DMSYGDYLGLDQILSAQHPLSPDHNEMLFIVQHQTTELWMKLMLHELRAARDGVKSDQLQPAFKMLARVSRIMDQLVQAWNVLATMTPPEYSAMRPYLGASSGFQSYQYREIEFILGNKNAAMLRPHAHRPEHLELVETALHTPSMYDEAIRLMARRGFQIDPEVVERDWTQPTQYNASVEAAWLEVYRNPSAHWELYELGEKFVDLEDAFRQWRFRHVTTVERVIGFKR-TGGTEGVSYLRRMLDVVLFPELWKLRTDL
General information:
TITO was launched using:
RESULT:
Template:
2NOX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -107916 for 1880 contacts (-57.4/contact) +
2D Compatibility (PS) -28901 + (NN) -22478 + (LL) 1092
1D Compatibility (HY) -34400 + (ID) 9450
Total energy: -202053.0 ( -107.47 by residue)
QMean score : 0.497
(partial model without unconserved sides chains):
PDB file :
Tito_2NOX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2NOX-query.scw
PDB file :
Tito_Scwrl_2NOX.pdb
: