Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAALPAPEKLLRSDFPVLWPVGTRWADNDMFGHLNNAVYYQLFDTAINAWINTSTGVDPLAM-PVLGIVAESGCRYFSELRFPESLMVGLAVTRLGRSSVTYRLGVFKEPDDAGVITALGHWVHVYVDRTSRRPVPIPEAIRSLLSTACVSG
2NUJ Chain:A ((21-158))
----------IPAPWTFGLADRVRFGELDAIGHVNHTAYLRWYESFRLPFLKA-RHVTDYGPTSPRLVLKQVHCTYLAEMGMGEDYVITGRVSNFRTTSFTMEFACWRLGD-AVECTSEGSAVVVLLNRDGSGRYPIPEAGRASFVTEDG--
General information:
TITO was launched using:
RESULT:
Template:
2NUJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -106246 for 1004 contacts (-105.8/contact) +
2D Compatibility (PS) -14984 + (NN) -6611 + (LL) 576
1D Compatibility (HY) -9600 + (ID) 1400
Total energy: -138265.0 ( -137.71 by residue)
QMean score : 0.402
(partial model without unconserved sides chains):
PDB file :
Tito_2NUJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2NUJ-query.scw
PDB file :
Tito_Scwrl_2NUJ.pdb
: