## |
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 |
72 |
6 |
1566 |
◊ |
B |
x,y,z |
1_555 |
84 |
30 |
16558 |
620.8 |
-2.4 |
0.504 |
11 |
0 |
0 |
0.089 |
2 |
|
C |
69 |
5 |
1572 |
◊ |
A |
x,y,z |
1_555 |
77 |
30 |
16637 |
611.0 |
-3.1 |
0.318 |
12 |
0 |
0 |
0.089 |
Average: |
615.9 |
-2.8 |
0.411 |
12 |
0 |
0 |
0.089 |
2 |
3 |
|
B |
46 |
13 |
16558 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
63 |
20 |
16637 |
447.1 |
-4.8 |
0.594 |
3 |
1 |
0 |
0.000 |
3 |
4 |
|
F |
43 |
4 |
1766 |
◊ |
B |
x,y,z |
1_555 |
56 |
17 |
16558 |
402.9 |
-7.4 |
0.699 |
7 |
0 |
0 |
0.135 |
4 |
5 |
|
A |
40 |
11 |
16637 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
49 |
17 |
16558 |
386.3 |
-3.0 |
0.682 |
3 |
2 |
0 |
0.000 |
5 |
6 |
|
B |
50 |
13 |
16558 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
41 |
9 |
16637 |
377.3 |
-3.7 |
0.609 |
2 |
0 |
0 |
0.000 |
6 |
7 |
|
E |
37 |
5 |
1496 |
◊ |
B |
x,y,z |
1_555 |
46 |
16 |
16558 |
342.9 |
-3.0 |
0.448 |
6 |
0 |
0 |
0.075 |
7 |
8 |
|
F |
31 |
3 |
1766 |
◊ |
A |
x,y,z |
1_555 |
37 |
14 |
16637 |
275.3 |
-3.9 |
0.579 |
8 |
0 |
0 |
0.048 |
8 |
9 |
|
A |
26 |
8 |
16637 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
29 |
10 |
16558 |
264.8 |
-3.4 |
0.427 |
0 |
0 |
0 |
0.000 |
9 |
10 |
|
E |
26 |
2 |
1496 |
◊ |
A |
x,y,z |
1_555 |
28 |
10 |
16637 |
247.3 |
0.6 |
0.441 |
1 |
0 |
0 |
0.000 |
10 |
11 |
|
F |
22 |
5 |
1766 |
◊ |
E |
x,y,z |
1_555 |
19 |
5 |
1496 |
204.4 |
-4.1 |
0.315 |
11 |
0 |
0 |
1.000 |
11 |
12 |
|
A |
21 |
8 |
16637 |
◊ |
B |
-x+3/2,-y,z-1/2 |
2_654 |
22 |
9 |
16558 |
181.4 |
-3.7 |
0.324 |
0 |
0 |
0 |
0.024 |
12 |
13 |
|
B |
20 |
6 |
16558 |
x |
B |
x-1,y,z |
1_455 |
16 |
8 |
16558 |
152.4 |
-2.6 |
0.440 |
0 |
0 |
0 |
0.000 |
13 |
14 |
|
B |
18 |
7 |
16558 |
◊ |
A |
x,y,z |
1_555 |
18 |
6 |
16637 |
139.8 |
-0.2 |
0.732 |
4 |
1 |
0 |
0.014 |
14 |
15 |
|
A |
13 |
4 |
16637 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
9 |
2 |
16637 |
116.3 |
1.6 |
0.837 |
3 |
3 |
0 |
0.000 |
15 |
16 |
|
[SO4]A:603 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
16637 |
92.1 |
-14.3 |
0.699 |
4 |
0 |
0 |
0.170 |
16 |
17 |
|
[SO4]B:604 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
16558 |
87.2 |
-13.4 |
0.811 |
4 |
0 |
0 |
0.201 |
17 |
18 |
|
A |
17 |
9 |
16637 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
8 |
4 |
16558 |
84.0 |
-2.0 |
0.315 |
0 |
0 |
0 |
0.000 |
18 |
19 |
|
[SO4]C:401 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
16 |
11 |
16637 |
81.7 |
-11.4 |
0.908 |
4 |
0 |
0 |
0.140 |
19 |
20 |
|
[SO4]B:603 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
11 |
16558 |
77.5 |
-11.1 |
0.930 |
3 |
0 |
0 |
0.164 |
20 |
21 |
|
A |
14 |
5 |
16637 |
f |
[SO4]B:605 |
-x+3/2,-y,z-1/2 |
2_654 |
5 |
1 |
185 |
75.4 |
-10.7 |
0.853 |
3 |
0 |
0 |
0.127 |
21 |
22 |
|
[SO4]B:606 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
16558 |
68.5 |
-10.9 |
0.791 |
4 |
0 |
0 |
0.168 |
22 |
23 |
|
[SO4]B:605 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
16558 |
68.0 |
-9.4 |
0.810 |
1 |
0 |
0 |
0.065 |
23 |
24 |
|
[SO4]A:604 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
16637 |
61.3 |
-6.6 |
0.947 |
1 |
0 |
0 |
0.046 |
24 |
25 |
|
F |
5 |
1 |
1766 |
◊ |
D |
x,y,z |
1_555 |
8 |
2 |
1566 |
59.9 |
-0.9 |
0.411 |
3 |
0 |
0 |
0.018 |
25 |
26 |
|
[SO4]C:402 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
7 |
2 |
1572 |
59.6 |
-6.7 |
0.755 |
2 |
0 |
0 |
0.100 |
26 |
27 |
|
[NA]A:602 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
16637 |
57.9 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.112 |
28 |
|
[NA]B:602 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
16558 |
55.7 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.112 |
Average: |
56.8 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.112 |
27 |
29 |
|
[SO4]A:604 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
16558 |
57.8 |
-7.1 |
0.934 |
0 |
0 |
0 |
0.094 |
28 |
30 |
|
B |
4 |
2 |
16558 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
8 |
4 |
16558 |
53.0 |
0.2 |
0.597 |
0 |
0 |
0 |
0.000 |
29 |
31 |
|
[SO4]C:401 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
8 |
1 |
1572 |
52.6 |
-6.7 |
0.595 |
0 |
0 |
0 |
0.071 |
30 |
32 |
|
[SO4]B:603 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
8 |
1 |
1566 |
51.0 |
-7.0 |
0.573 |
0 |
0 |
0 |
0.078 |
31 |
33 |
|
[SO4]A:604 |
5 |
1 |
186 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
4 |
3 |
16558 |
47.0 |
-6.1 |
0.644 |
1 |
0 |
0 |
0.000 |
32 |
34 |
|
[NA]B:602 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
1566 |
37.6 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.063 |
35 |
|
[NA]A:602 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
1572 |
33.6 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.063 |
Average: |
35.6 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.063 |
33 |
36 |
|
[MG]A:601 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
16637 |
36.9 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.061 |
37 |
|
[MG]B:601 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
16558 |
35.4 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.061 |
Average: |
36.2 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.061 |
34 |
38 |
|
[SO4]B:606 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
5 |
1 |
1496 |
31.3 |
-3.7 |
0.713 |
1 |
0 |
0 |
0.055 |
35 |
39 |
|
A |
5 |
4 |
16637 |
x |
A |
x-1,y,z |
1_455 |
6 |
4 |
16637 |
28.3 |
-0.9 |
0.379 |
0 |
0 |
0 |
0.000 |
36 |
40 |
|
[SO4]B:603 |
4 |
1 |
185 |
f |
[MG]B:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.2 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.076 |
37 |
41 |
|
[SO4]C:401 |
3 |
1 |
186 |
f |
[MG]A:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.7 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.058 |
38 |
42 |
|
[MG]B:601 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
1566 |
25.0 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.040 |
43 |
|
[MG]A:601 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
1572 |
24.6 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.040 |
Average: |
24.8 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.040 |
39 |
44 |
|
[SO4]C:402 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
3 |
3 |
16637 |
25.0 |
-3.0 |
0.861 |
0 |
0 |
0 |
0.031 |
40 |
45 |
|
[SO4]B:606 |
1 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
1766 |
9.8 |
-1.7 |
0.603 |
0 |
0 |
0 |
0.022 |
|