## |
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 |
|
B |
99 |
21 |
2446 |
◊ |
A |
x,y,z |
1_555 |
119 |
28 |
8595 |
1027.6 |
-15.2 |
0.175 |
7 |
4 |
0 |
0.318 |
2 |
|
D |
101 |
21 |
2383 |
◊ |
C |
x,y,z |
1_555 |
119 |
28 |
8430 |
1012.6 |
-14.4 |
0.219 |
7 |
4 |
0 |
0.318 |
Average: |
1020.1 |
-14.8 |
0.197 |
7 |
4 |
0 |
0.318 |
2 |
3 |
|
C |
73 |
17 |
8430 |
◊ |
A |
x,y,z |
1_555 |
65 |
15 |
8595 |
632.5 |
-2.6 |
0.530 |
7 |
4 |
0 |
0.004 |
3 |
4 |
|
C |
68 |
17 |
8430 |
◊ |
A |
x-1,y,z |
1_455 |
60 |
16 |
8595 |
575.4 |
-4.6 |
0.321 |
3 |
0 |
0 |
0.000 |
4 |
5 |
|
C |
48 |
13 |
8430 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
49 |
15 |
8595 |
461.5 |
-1.3 |
0.441 |
4 |
0 |
0 |
0.000 |
5 |
6 |
|
A |
38 |
11 |
8595 |
x |
A |
-x,y-1/2,-z |
2_545 |
40 |
7 |
8595 |
308.6 |
0.0 |
0.650 |
1 |
0 |
0 |
0.000 |
6 |
7 |
|
C |
33 |
10 |
8430 |
x |
C |
x-1,y,z |
1_455 |
22 |
6 |
8430 |
236.0 |
2.4 |
0.838 |
0 |
3 |
0 |
0.000 |
8 |
|
A |
18 |
4 |
8595 |
x |
A |
x-1,y,z |
1_455 |
31 |
11 |
8595 |
204.5 |
1.1 |
0.725 |
0 |
0 |
0 |
0.000 |
Average: |
220.3 |
1.8 |
0.782 |
0 |
2 |
0 |
0.000 |
7 |
9 |
|
C |
25 |
9 |
8430 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
22 |
6 |
2446 |
219.0 |
1.7 |
0.839 |
1 |
0 |
0 |
0.000 |
8 |
10 |
|
C |
22 |
6 |
8430 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
29 |
7 |
2383 |
217.6 |
-1.5 |
0.602 |
1 |
0 |
0 |
0.000 |
9 |
11 |
|
D |
15 |
5 |
2383 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
2446 |
158.5 |
2.0 |
0.903 |
5 |
0 |
0 |
0.000 |
10 |
12 |
|
B |
19 |
6 |
2446 |
◊ |
A |
x-1,y,z |
1_455 |
16 |
4 |
8595 |
158.3 |
-0.3 |
0.496 |
0 |
0 |
0 |
0.002 |
13 |
|
C |
8 |
2 |
8430 |
◊ |
D |
x-1,y,z |
1_455 |
9 |
3 |
2383 |
99.2 |
-0.4 |
0.436 |
0 |
2 |
0 |
0.002 |
Average: |
128.8 |
-0.3 |
0.466 |
0 |
1 |
0 |
0.002 |
11 |
14 |
|
A |
14 |
5 |
8595 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
18 |
5 |
2446 |
131.0 |
-0.9 |
0.562 |
0 |
0 |
0 |
0.000 |
12 |
15 |
|
D |
11 |
4 |
2383 |
x |
D |
-x,y-1/2,-z+1 |
2_546 |
7 |
4 |
2383 |
114.1 |
-0.1 |
0.720 |
2 |
0 |
0 |
0.000 |
13 |
16 |
|
[SO4]A:201 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
23 |
10 |
8595 |
107.4 |
-16.2 |
0.597 |
0 |
0 |
0 |
0.155 |
14 |
17 |
|
[SO4]A:204 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
8595 |
98.8 |
-14.4 |
0.779 |
0 |
0 |
0 |
0.137 |
15 |
18 |
|
[SO4]C:201 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
8430 |
88.3 |
-13.3 |
0.537 |
0 |
0 |
0 |
0.234 |
16 |
19 |
|
[SO4]A:203 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
8595 |
85.3 |
-13.2 |
0.670 |
2 |
0 |
0 |
0.134 |
17 |
20 |
|
[SO4]A:205 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
8595 |
82.0 |
-11.2 |
0.842 |
1 |
0 |
0 |
0.111 |
18 |
21 |
|
[SO4]B:101 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
2446 |
74.8 |
-9.6 |
0.839 |
0 |
0 |
0 |
0.100 |
19 |
22 |
|
[SO4]C:202 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
14 |
4 |
2383 |
70.7 |
-8.8 |
0.863 |
2 |
0 |
0 |
0.169 |
20 |
23 |
|
B |
12 |
5 |
2446 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
8430 |
69.6 |
-0.0 |
0.639 |
0 |
0 |
0 |
0.000 |
24 |
|
D |
8 |
2 |
2383 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
8595 |
56.6 |
0.8 |
0.740 |
0 |
0 |
0 |
0.000 |
Average: |
63.1 |
0.4 |
0.689 |
0 |
0 |
0 |
0.000 |
21 |
25 |
|
[SO4]D:101 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
2383 |
64.3 |
-7.3 |
0.951 |
1 |
0 |
0 |
0.135 |
22 |
26 |
|
[SO4]B:101 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
8595 |
57.3 |
-7.9 |
0.876 |
3 |
0 |
0 |
0.088 |
23 |
27 |
|
C |
4 |
2 |
8430 |
◊ |
[SO4]D:101 |
x-1,y,z |
1_455 |
4 |
1 |
184 |
54.3 |
-6.9 |
0.503 |
0 |
0 |
0 |
0.018 |
24 |
28 |
|
[SO4]C:202 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
8430 |
54.2 |
-6.9 |
0.875 |
3 |
0 |
0 |
0.144 |
25 |
29 |
|
[SO4]A:202 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
8595 |
50.9 |
-5.9 |
0.924 |
1 |
0 |
0 |
0.060 |
26 |
30 |
|
C |
7 |
3 |
8430 |
◊ |
[SO4]A:202 |
-x,y-1/2,-z |
2_545 |
4 |
1 |
185 |
48.0 |
-6.2 |
0.621 |
0 |
0 |
0 |
0.000 |
27 |
31 |
|
C |
3 |
1 |
8430 |
◊ |
[SO4]C:202 |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
185 |
27.1 |
-3.6 |
0.761 |
0 |
0 |
0 |
0.000 |
28 |
32 |
|
C |
2 |
1 |
8430 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
8595 |
23.0 |
0.1 |
0.275 |
0 |
0 |
0 |
0.000 |
29 |
33 |
|
[SO4]A:205 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
2446 |
21.2 |
-2.2 |
0.887 |
0 |
0 |
0 |
0.020 |
30 |
34 |
|
[SO4]A:203 |
1 |
1 |
186 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
2 |
1 |
2446 |
20.1 |
-2.5 |
0.766 |
0 |
0 |
0 |
0.000 |
31 |
35 |
|
C |
3 |
3 |
8430 |
x |
C |
-x,y-1/2,-z+1 |
2_546 |
2 |
2 |
8430 |
18.7 |
0.0 |
0.500 |
0 |
0 |
0 |
0.000 |
32 |
36 |
|
D |
1 |
1 |
2383 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
8595 |
15.6 |
-0.0 |
0.475 |
0 |
0 |
0 |
0.000 |
37 |
|
C |
2 |
1 |
8430 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
1 |
2446 |
14.4 |
0.1 |
0.595 |
0 |
0 |
0 |
0.000 |
Average: |
15.0 |
0.0 |
0.535 |
0 |
0 |
0 |
0.000 |
33 |
38 |
|
[SO4]B:101 |
3 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
8430 |
12.9 |
-1.6 |
0.751 |
0 |
0 |
0 |
0.000 |
34 |
39 |
|
[SO4]B:101 |
1 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
2383 |
12.5 |
-1.3 |
0.834 |
0 |
0 |
0 |
0.000 |
35 |
40 |
|
[SO4]A:202 |
1 |
1 |
185 |
f |
[SO4]A:201 |
x,y,z |
1_555 |
3 |
1 |
185 |
10.9 |
-2.4 |
0.891 |
0 |
0 |
0 |
0.023 |
36 |
41 |
|
[SO4]C:202 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
2446 |
9.2 |
-1.2 |
0.505 |
0 |
0 |
0 |
0.000 |
37 |
42 |
|
[SO4]C:202 |
2 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
8595 |
6.8 |
-0.6 |
0.826 |
0 |
0 |
0 |
0.000 |
38 |
43 |
|
C |
1 |
1 |
8430 |
◊ |
[SO4]A:201 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
185 |
2.1 |
-0.2 |
0.863 |
0 |
0 |
0 |
0.000 |
|