Table 3.
3J40_H | 111aa | 112aa | 121aa | 130aa | 130aa refined | |
---|---|---|---|---|---|---|
Composition | ||||||
Atoms | 850 | 850 | 870 | 929 | 952 | 952 |
Residues | 111 | 111 | 112 | 121 | 130 | 130 |
Molprobity score | 4.22 | 2.00 | 1.73 | 1.75 | 2.61 | 2.27 |
Clash score | 47.31 | 14.97 | 12.01 | 10.29 | 22.16 | 18.56 |
Ramachandran plot | ||||||
Outliers | 13.76 | 3.67 | 0.00 | 1.68 | 4.69 | 0.0 |
Allowed | 34.86 | 0.92 | 2.73 | 1.68 | 6.25 | 8.59 |
Favored | 51.38 | 95.41 | 97.27 | 96.64 | 89.06 | 91.41 |
Rotamer outliers | 28.42 | 0.00 | 0.00 | 0.00 | 1.82 | 0.00 |
Cbeta deviations | 1.96 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 |
Bonds | ||||||
Length | 0.006 | 0.019 | 0.015 | 0.019 | 0.016 | 0.004 |
Angles | 1.760 | 2.202 | 1.420 | 1.941 | 1.933 | 0.772 |
B-factor (mean) | 106.00 | – | – | – | – | 135.79 |
pLDDT (mean) | – | 80.29 | 93.68 | 95.18 | 83.22 | – |
Map–model CC | 0.71 | 0.10 | 0.16 | 0.19 | 0.61 | 0.81 |
FSC (0.143) | 4.0 | 2.7 | 2.6 | 7.1 | 4.1 | 3.3 |
TM-score | – | 0.1509 | 0.1337 | 0.1352 | 0.1914 | 0.1912 |
RMSD (residues) | 0 | 21.425 (111) | 9.404 (30) | 0.254 (3) | 14.819 (48) | 19.290 (98) |