| |
Model
|
ΔSASA (A2)
|
RMSD (A)
|
Rg (A)
|
|---|
| | |
Total
|
Basic
|
Helix I
|
Loop
|
Helix II
|
Basic
|
|---|
| | |
mon1
|
mon2
|
mon1
|
mon2
|
mon1
|
mon2
|
mon1
|
mon2
|
mon1
|
mon2
|
mon1
|
mon2
|
|---|
|
HOMODIMER (TWI_A/TWI_B)
|
Wt
|
-2266.56 (70.3)
|
3.64 (0.72)
|
2.99 (0.77)
|
2.32 (0.78)
|
3.01 (0.53)
|
0.43 (0.09)
|
0.39 (0.08)
|
2.02 (0.26)
|
1.21 (0.14)
|
0.97 (0.42)
|
1.01 (0.15)
|
8.35 (0.30)
|
7.46 (0.47)
|
|
R118C
|
-2007.47 (111)
|
6.47 (0.45)
|
4.85 (1.02)
|
2.96 (0.19)
|
3.75 (0.38)
|
0.48 (0.11)
|
1.22 (0.36)
|
1.37 (0.12)
|
2.78 (0.32)
|
1.83 (0.56)
|
1.90 (0.47)
|
7.53 (2.51)
|
7.93 (0.64)
|
|
S144R
|
-1743.64 (98.6)
|
3.50 (0.66)
|
6.09 (0.95)
|
2.51 (0.78)
|
3.06 (0.77)
|
0.52 (0.16)
|
0.64 (0.10)
|
1.37 (0.19)
|
1.54 (0.22)
|
0.90 (0.22)
|
0.97 (0.23)
|
7.83 (0.51)
|
7.60 (0.51)
|
|
K145E
|
-1846.84 (134)
|
2.86 (0.40)
|
3.43 (0.41)
|
3.40 (0.78)
|
3.27 (0.38)
|
1.59 (0.13)
|
1.39 (0.13)
|
2.18 (0.16)
|
3.94 (3.94)
|
2.11 (0.42)
|
2.26 (0.26)
|
7.28 (0.25)
|
7.22 (0.28)
|
|
HETERODIMER (E47/TWI)
|
Wt
|
-1829.10 (88.8)
|
2.64 (0.25)
|
2.45 (0.57)
|
3.49 (0.24)
|
2.29 (0.53)
|
0.72 (0.13)
|
0.39 (0.08)
|
1.42 (0.25)
|
1.66 (0.24)
|
1.08 (2.29)
|
0.90 (0.26)
|
7.75 (0.68)
|
7.70 (0.44)
|
|
R118C
|
-1797.56 (111.7)
|
2.91 (0.34)
|
3.27 (0.62)
|
3.80 (0.24)
|
2.80 (0.38)
|
1.27 (0.30)
|
1.22 (0.36)
|
1.60 (0.34)
|
1.43 (2.28)
|
0.60 (0.11)
|
0.96 (0.24)
|
7.20 (0.22)
|
7.43 (0.50)
|
|
S144R
|
-1977.27 (78.2)
|
2.46 (0.37)
|
3.85 (0.35)
|
2.44 (0.22)
|
2.29 (0.55)
|
0.73 (0.11)
|
0.64 (0.10)
|
0.76 (0.13)
|
1.63 (0.15)
|
1.08 (0.14)
|
1.48 (0.15)
|
7.89 (0.39)
|
7.33 (0.27)
|
| |
K145E
|
-1902.91 (73)
|
3.23 (0.25)
|
4.46 (0.56)
|
4.02 (0.25)
|
5.39 (0.46)
|
2.22 (0.18)
|
1.39 (0.13)
|
2.21 (0.18)
|
2.68 (0.27)
|
2.21 (0.21)
|
2.11 (0.29)
|
8.19 (0.26)
|
8.07 (0.44)
|
- Standard deviations are shown in parentheses. Å – angstrom (10-10 m); wt – wild-type; Rg – radius of gyration; RMSD – root-mean-square-deviation, taking as reference their respective starting structures. mon1 is monomer TWI_A in the homodimer and monomer E47 in the heterodimer; mon2 is monomer TWI_B in the homodimer and monomer TWI in the heterodimer.
