2LLE
Computational design of an eight-stranded (beta/alpha)-barrel from fragments of different folds
Spectrometer
Experimental method: SOLUTION NMR
Spectrometer ID | Spectrometer maker | Spectrometer model | Spectrometer type | Spectrometer field strength |
1 | Bruker | AvanceIII | Bruker AvanceIII | 600 |
2 | Bruker | AvanceIII | Bruker AvanceIII | 800 |
Experiment
experiment id | conditions id | solution id | Experiment type |
1 | 1 | 2 | 3D HNCO |
10 | 1 | 1 | 3D 1H-15N NOESY |
11 | 1 | 2 | 3D 1H-13C NOESY |
12 | 1 | 2 | 3D CNH-NOESY |
13 | 1 | 2 | 3D CCH-NOESY |
14 | 1 | 1 | 3D NNH-NOESY |
15 | 1 | 1 | 2D 15N-filtered 1H-1H NOESY |
2 | 1 | 2 | 3D HNCA |
3 | 1 | 2 | 3D HNCACB |
4 | 1 | 2 | 3D C(CO)NH |
5 | 1 | 2 | 3D CCH-TOCSY |
6 | 1 | 2 | 3D CCH-COSY |
7 | 1 | 2 | 2D PLUSH-TACSY |
8 | 1 | 1 | 3D HNHA |
9 | 1 | 1 | 3D HNHB |
NMR Sample
conditions id | NMR sample pH | NMR sample pressure | NMR sample temperature |
1 | 7.5 | ambient | 313 |
Conformers
Conformers Calculated Total Number | 50 |
Conformers Submitted Total Number | 17 |