Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDTHSAAELPVRASRIRLAIFDVDGVLTDGKLYFLVDGSEFKTFNTLDGHGIKMLIASGVRTAIITGRDTPVVERRARNLGIQHLYQGREDKLAVLDELLGELGLGYEQVAYLGDDLPDLPVIRRVGLGMAVASADPFVRQHAHGVTAARGGEGAAREFCELIMRAQGTLEAAQSAYL
3NRJ Chain:C ((10-181))
-------QDLMQRGKAIKLAVFDVDGVLTDGRLYFMEDGSEIKTFNTLDGQGIKMLIASGVTTAIISGRKTAIVERRAKSLGIEHLFQGREDKLVVLDKLLAELQLGYEQVAYLGDDLPDLPVIRRVGLGMAVANAASFVREHAHGITRAQGGEGAAREFCELILSAQGNLEAAHSVYL
General information:
TITO was launched using:
RESULT:
Template:
3NRJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -104382 for 1469 contacts (-71.1/contact) +
2D Compatibility (PS) -18787 + (NN) -9580 + (LL) 316
1D Compatibility (HY) -22400 + (ID) 6650
Total energy: -161483.0 ( -109.93 by residue)
QMean score : 0.549
(partial model without unconserved sides chains):
PDB file :
Tito_3NRJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NRJ-query.scw
PDB file :
Tito_Scwrl_3NRJ.pdb
: