| ## |
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 |
193 |
51 |
10080 |
◊ |
C |
x,y,z |
1_555 |
200 |
53 |
10166 |
2073.4 |
-36.6 |
0.026 |
10 |
0 |
0 |
0.364 |
2 |
|
B |
210 |
54 |
9940 |
◊ |
A |
x,y,z |
1_555 |
199 |
53 |
10385 |
2056.8 |
-38.7 |
0.018 |
9 |
0 |
0 |
0.364 |
| Average: |
2065.1 |
-37.7 |
0.022 |
10 |
0 |
0 |
0.364 |
| 2 |
3 |
|
A |
51 |
15 |
10385 |
◊ |
D |
-x-1/2,-y+1,z-1/2 |
2_464 |
58 |
13 |
10080 |
447.2 |
-0.2 |
0.842 |
1 |
0 |
0 |
0.000 |
| 3 |
4 |
|
C |
47 |
11 |
10166 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
45 |
10 |
10385 |
434.4 |
1.5 |
0.909 |
4 |
9 |
0 |
0.000 |
| 4 |
5 |
|
C |
49 |
10 |
10166 |
◊ |
B |
x,y,z |
1_555 |
51 |
14 |
9940 |
410.3 |
0.4 |
0.879 |
8 |
4 |
0 |
0.000 |
| 5 |
6 |
|
B |
39 |
9 |
9940 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
39 |
11 |
10385 |
331.1 |
1.0 |
0.889 |
3 |
2 |
0 |
0.000 |
| 6 |
7 |
|
C |
28 |
7 |
10166 |
x |
C |
x-1,y,z |
1_455 |
33 |
6 |
10166 |
262.3 |
-2.6 |
0.527 |
0 |
0 |
0 |
0.000 |
| 7 |
8 |
|
A |
18 |
5 |
10385 |
x |
A |
x-1,y,z |
1_455 |
22 |
9 |
10385 |
143.6 |
-0.3 |
0.711 |
3 |
0 |
0 |
0.000 |
9 |
|
B |
24 |
9 |
9940 |
x |
B |
x-1,y,z |
1_455 |
17 |
4 |
9940 |
141.5 |
-0.6 |
0.698 |
2 |
0 |
0 |
0.000 |
| Average: |
142.5 |
-0.5 |
0.705 |
3 |
0 |
0 |
0.000 |
| 8 |
10 |
|
D |
15 |
7 |
10080 |
◊ |
C |
x-1,y,z |
1_455 |
12 |
5 |
10166 |
132.2 |
-0.6 |
0.646 |
1 |
0 |
0 |
0.000 |
| 9 |
11 |
|
[SO4]D:108 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
19 |
10 |
10080 |
118.0 |
-17.1 |
0.832 |
5 |
0 |
0 |
0.171 |
| 10 |
12 |
|
[SO4]B:106 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
18 |
10 |
9940 |
115.1 |
-17.0 |
0.834 |
6 |
0 |
0 |
0.137 |
| 11 |
13 |
|
[SO4]C:107 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
14 |
8 |
10166 |
114.2 |
-17.9 |
0.726 |
6 |
0 |
0 |
0.183 |
| 12 |
14 |
|
[SO4]D:111 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
18 |
8 |
10080 |
109.4 |
-17.9 |
0.793 |
9 |
0 |
0 |
0.195 |
| 13 |
15 |
|
[SO4]A:105 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
10385 |
109.0 |
-16.8 |
0.771 |
6 |
0 |
0 |
0.136 |
| 14 |
16 |
|
[SO4]A:112 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
23 |
7 |
10385 |
106.8 |
-14.5 |
0.782 |
6 |
0 |
0 |
0.120 |
| 15 |
17 |
|
[SO4]A:109 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
10385 |
95.6 |
-15.8 |
0.796 |
6 |
0 |
0 |
0.129 |
| 16 |
18 |
|
[SO4]B:110 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
9940 |
91.6 |
-15.2 |
0.788 |
6 |
0 |
0 |
0.125 |
| 17 |
19 |
|
D |
9 |
4 |
10080 |
x |
D |
x-1,y,z |
1_455 |
7 |
3 |
10080 |
64.2 |
-0.8 |
0.467 |
0 |
0 |
0 |
0.000 |
| 18 |
20 |
|
C |
10 |
3 |
10166 |
◊ |
[SO4]A:112 |
-x,y-1/2,-z+1/2 |
3_545 |
5 |
1 |
187 |
46.7 |
-6.3 |
0.792 |
0 |
0 |
0 |
0.000 |
| 19 |
21 |
|
[MG]C:104 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
10166 |
44.3 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.051 |
| 20 |
22 |
|
[SO4]A:109 |
4 |
1 |
188 |
◊ |
A |
x-1,y,z |
1_455 |
6 |
2 |
10385 |
43.0 |
-5.5 |
0.816 |
1 |
0 |
0 |
0.000 |
| 21 |
23 |
|
B |
8 |
2 |
9940 |
◊ |
[SO4]B:110 |
x-1,y,z |
1_455 |
3 |
1 |
187 |
39.0 |
-5.3 |
0.769 |
0 |
0 |
0 |
0.000 |
| 22 |
24 |
|
[MG]D:102 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
10080 |
33.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.036 |
| 23 |
25 |
|
[MG]C:103 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
10166 |
32.3 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.000 |
26 |
|
[MG]C:103 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
9940 |
30.2 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
31.3 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 24 |
27 |
|
[MG]B:101 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
9940 |
29.1 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.038 |
28 |
|
[MG]A:100 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
10385 |
21.1 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.038 |
| Average: |
25.1 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.038 |
| 25 |
29 |
|
[SO4]A:105 |
4 |
1 |
189 |
◊ |
D |
-x-1/2,-y+1,z-1/2 |
2_464 |
4 |
2 |
10080 |
28.5 |
-3.3 |
0.748 |
0 |
0 |
0 |
0.000 |
| 26 |
30 |
|
A |
4 |
4 |
10385 |
◊ |
B |
x-1,y,z |
1_455 |
4 |
4 |
9940 |
27.4 |
0.1 |
0.690 |
0 |
0 |
0 |
0.000 |
| 27 |
31 |
|
A |
2 |
2 |
10385 |
◊ |
[SO4]D:111 |
-x-1/2,-y+1,z-1/2 |
2_464 |
4 |
1 |
187 |
27.3 |
-1.6 |
0.992 |
1 |
0 |
0 |
0.000 |
| 28 |
32 |
|
[MG]C:103 |
1 |
1 |
98 |
f |
A |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
2 |
10385 |
24.5 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.017 |
| 29 |
33 |
|
A |
3 |
1 |
10385 |
◊ |
[MG]D:102 |
-x-1/2,-y+1,z-1/2 |
2_464 |
1 |
1 |
98 |
16.4 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 30 |
34 |
|
[MG]B:101 |
1 |
1 |
98 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
10385 |
0.4 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|