| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
| 1 |
1 |
|
D |
307 |
77 |
31435 |
◊ |
A |
x,y,z |
1_555 |
307 |
79 |
29883 |
2920.3 |
-23.1 |
0.098 |
40 |
16 |
0 |
0.607 |
2 |
|
C |
309 |
79 |
31056 |
◊ |
B |
x,y,z |
1_555 |
306 |
78 |
31010 |
2901.3 |
-23.7 |
0.092 |
44 |
16 |
0 |
0.607 |
| Average: |
2910.8 |
-23.4 |
0.095 |
42 |
16 |
0 |
0.607 |
| 2 |
3 |
|
B |
206 |
58 |
31010 |
◊ |
A |
x,y,z |
1_555 |
206 |
60 |
29883 |
2094.3 |
-23.7 |
0.015 |
22 |
3 |
0 |
0.547 |
4 |
|
D |
186 |
58 |
31435 |
◊ |
C |
x,y,z |
1_555 |
193 |
57 |
31056 |
1958.1 |
-25.8 |
0.005 |
21 |
0 |
0 |
0.547 |
| Average: |
2026.2 |
-24.7 |
0.010 |
22 |
2 |
0 |
0.547 |
| 3 |
5 |
|
A |
59 |
21 |
29883 |
◊ |
C |
x,y-1,z |
1_545 |
64 |
24 |
31056 |
557.7 |
2.8 |
0.871 |
8 |
1 |
0 |
0.000 |
| 4 |
6 |
|
B |
39 |
14 |
31010 |
◊ |
C |
x-1,y,z |
1_455 |
34 |
12 |
31056 |
326.3 |
2.5 |
0.875 |
5 |
0 |
0 |
0.000 |
| 5 |
7 |
|
D |
31 |
11 |
31435 |
◊ |
B |
x,y,z |
1_555 |
28 |
12 |
31010 |
254.3 |
-2.1 |
0.361 |
3 |
1 |
0 |
0.029 |
8 |
|
C |
26 |
10 |
31056 |
◊ |
A |
x,y,z |
1_555 |
25 |
9 |
29883 |
220.9 |
-2.3 |
0.314 |
2 |
0 |
0 |
0.029 |
| Average: |
237.6 |
-2.2 |
0.338 |
3 |
1 |
0 |
0.029 |
| 6 |
9 |
|
C |
29 |
8 |
31056 |
x |
C |
-x+1,y-1/2,-z+2 |
2_647 |
20 |
7 |
31056 |
215.4 |
-1.5 |
0.345 |
3 |
0 |
0 |
0.000 |
10 |
|
A |
21 |
8 |
29883 |
x |
A |
-x+1,y-1/2,-z+3 |
2_648 |
30 |
7 |
29883 |
212.4 |
-1.3 |
0.385 |
3 |
0 |
0 |
0.000 |
| Average: |
213.9 |
-1.4 |
0.365 |
3 |
0 |
0 |
0.000 |
| 7 |
11 |
|
D |
21 |
7 |
31435 |
◊ |
A |
x-1,y,z |
1_455 |
25 |
13 |
29883 |
199.7 |
-0.7 |
0.518 |
4 |
0 |
0 |
0.000 |
| 8 |
12 |
|
B |
23 |
7 |
31010 |
x |
B |
-x,y-1/2,-z+2 |
2_547 |
24 |
9 |
31010 |
193.5 |
-1.1 |
0.475 |
2 |
0 |
0 |
0.000 |
| 9 |
13 |
|
A |
15 |
4 |
29883 |
◊ |
D |
x,y-1,z |
1_545 |
17 |
4 |
31435 |
141.3 |
0.4 |
0.670 |
0 |
0 |
0 |
0.000 |
14 |
|
B |
15 |
5 |
31010 |
◊ |
C |
x,y-1,z |
1_545 |
14 |
4 |
31056 |
121.3 |
1.4 |
0.813 |
0 |
0 |
0 |
0.000 |
| Average: |
131.3 |
0.9 |
0.741 |
0 |
0 |
0 |
0.000 |
| 10 |
15 |
|
[SO4]C:902 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
31056 |
72.2 |
-10.7 |
0.813 |
3 |
0 |
0 |
0.161 |
| 11 |
16 |
|
A |
6 |
3 |
29883 |
◊ |
D |
-x+1,y-1/2,-z+3 |
2_648 |
8 |
3 |
31435 |
65.0 |
1.0 |
0.648 |
1 |
0 |
0 |
0.000 |
17 |
|
B |
6 |
3 |
31010 |
◊ |
C |
-x+1,y-1/2,-z+2 |
2_647 |
7 |
4 |
31056 |
61.2 |
-0.3 |
0.497 |
0 |
0 |
0 |
0.000 |
| Average: |
63.1 |
0.3 |
0.573 |
1 |
0 |
0 |
0.000 |
| 12 |
18 |
|
A |
6 |
3 |
29883 |
f |
[SO4]D:902 |
x,y-1,z |
1_545 |
4 |
1 |
185 |
59.6 |
-8.2 |
0.439 |
1 |
0 |
0 |
0.140 |
| 13 |
19 |
|
[SO4]C:903 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
31056 |
56.1 |
-7.6 |
0.461 |
1 |
0 |
0 |
0.108 |
| 14 |
20 |
|
D |
5 |
2 |
31435 |
◊ |
C |
x-1,y,z |
1_455 |
7 |
2 |
31056 |
51.5 |
0.2 |
0.649 |
0 |
0 |
0 |
0.000 |
| 15 |
21 |
|
[MG]D:901 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
6 |
31435 |
49.8 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.313 |
22 |
|
[MG]A:901 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
4 |
29883 |
49.5 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.313 |
23 |
|
[MG]C:901 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
3 |
3 |
31056 |
49.2 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.313 |
24 |
|
[MG]B:901 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
4 |
4 |
31010 |
49.2 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.313 |
| Average: |
49.4 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.313 |
| 16 |
25 |
|
[SO4]D:902 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
31435 |
44.9 |
-5.1 |
0.919 |
1 |
0 |
0 |
0.000 |
| 17 |
26 |
|
B |
8 |
3 |
31010 |
◊ |
[SO4]C:903 |
x,y-1,z |
1_545 |
4 |
1 |
185 |
42.9 |
-5.3 |
0.904 |
1 |
0 |
0 |
0.000 |
|