## |
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 |
|
A |
64 |
20 |
6780 |
◊ |
A |
-x,y,-z+1 |
2_556 |
65 |
20 |
6780 |
597.6 |
1.7 |
0.862 |
8 |
2 |
0 |
0.018 |
2 |
|
B |
65 |
20 |
6836 |
◊ |
C |
-x-1/2,y-1/2,-z+2 |
4_447 |
61 |
18 |
6795 |
595.6 |
0.9 |
0.828 |
8 |
2 |
0 |
0.018 |
Average: |
596.6 |
1.3 |
0.845 |
8 |
2 |
0 |
0.018 |
2 |
3 |
|
A |
59 |
19 |
6780 |
◊ |
C |
x,y,z-1 |
1_554 |
52 |
15 |
6795 |
569.1 |
-11.4 |
0.043 |
3 |
1 |
0 |
0.104 |
4 |
|
B |
59 |
20 |
6836 |
◊ |
A |
x,y,z |
1_555 |
50 |
15 |
6780 |
567.7 |
-10.7 |
0.042 |
3 |
1 |
0 |
0.104 |
Average: |
568.4 |
-11.0 |
0.042 |
3 |
1 |
0 |
0.104 |
3 |
5 |
|
C |
59 |
20 |
6795 |
◊ |
B |
x,y,z |
1_555 |
58 |
16 |
6836 |
544.6 |
-7.8 |
0.173 |
6 |
3 |
0 |
0.071 |
4 |
6 |
|
[1PE]B:209 |
9 |
1 |
319 |
◊ |
B |
x,y,z |
1_555 |
24 |
7 |
6836 |
144.5 |
0.3 |
0.565 |
1 |
0 |
0 |
0.000 |
5 |
7 |
|
[1PE]C:205 |
10 |
1 |
334 |
◊ |
C |
x,y,z |
1_555 |
24 |
7 |
6795 |
143.8 |
0.8 |
0.608 |
2 |
0 |
0 |
0.000 |
6 |
8 |
|
[GOL]A:209 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
6780 |
139.2 |
0.7 |
0.677 |
4 |
0 |
0 |
0.005 |
7 |
9 |
|
[1PE]A:207 |
10 |
1 |
328 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
6780 |
136.2 |
1.0 |
0.565 |
0 |
0 |
0 |
0.000 |
8 |
10 |
|
[1PE]A:206 |
10 |
1 |
327 |
◊ |
A |
x,y,z |
1_555 |
16 |
5 |
6780 |
133.2 |
-0.3 |
0.505 |
1 |
0 |
0 |
0.003 |
9 |
11 |
|
[1PE]C:205 |
9 |
1 |
334 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
6836 |
131.0 |
-0.3 |
0.392 |
0 |
0 |
0 |
0.002 |
10 |
12 |
|
[1PE]A:205 |
10 |
1 |
329 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
6780 |
129.3 |
0.1 |
0.501 |
3 |
0 |
0 |
0.005 |
11 |
13 |
|
[1PE]B:208 |
6 |
1 |
320 |
◊ |
B |
x,y,z |
1_555 |
15 |
7 |
6836 |
125.8 |
1.0 |
0.644 |
1 |
0 |
0 |
0.000 |
12 |
14 |
|
[1PE]B:207 |
9 |
1 |
329 |
◊ |
B |
x,y,z |
1_555 |
16 |
5 |
6836 |
125.3 |
-0.2 |
0.399 |
0 |
0 |
0 |
0.000 |
13 |
15 |
|
A |
12 |
5 |
6780 |
◊ |
C |
-x-1/2,y-1/2,-z+1 |
4_446 |
9 |
3 |
6795 |
95.4 |
-0.6 |
0.563 |
0 |
0 |
0 |
0.000 |
14 |
16 |
|
[1PE]B:209 |
6 |
1 |
319 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
6780 |
94.9 |
-0.9 |
0.384 |
0 |
0 |
0 |
0.004 |
15 |
17 |
|
[SO4]B:202 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
4 |
6836 |
94.7 |
-11.9 |
0.864 |
4 |
0 |
0 |
0.088 |
16 |
18 |
|
[SO4]A:201 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
6780 |
93.1 |
-12.6 |
0.846 |
5 |
0 |
0 |
0.061 |
17 |
19 |
|
[GOL]A:208 |
5 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
6780 |
93.1 |
-0.3 |
0.595 |
5 |
0 |
0 |
0.010 |
18 |
20 |
|
[SO4]C:201 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
14 |
4 |
6795 |
93.0 |
-12.3 |
0.875 |
5 |
0 |
0 |
0.093 |
19 |
21 |
|
C |
11 |
4 |
6795 |
◊ |
C |
-x,y,-z+2 |
2_557 |
11 |
4 |
6795 |
89.2 |
-0.7 |
0.549 |
0 |
0 |
0 |
0.000 |
20 |
22 |
|
[SO4]B:204 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
6836 |
88.9 |
-13.4 |
0.733 |
2 |
0 |
0 |
0.092 |
21 |
23 |
|
[SO4]C:203 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
16 |
6 |
6795 |
87.3 |
-12.2 |
0.748 |
1 |
0 |
0 |
0.081 |
22 |
24 |
|
[SO4]B:203 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
6836 |
86.5 |
-11.7 |
0.865 |
3 |
0 |
0 |
0.084 |
23 |
25 |
|
[1PE]A:207 |
7 |
1 |
328 |
f |
C |
x,y,z-1 |
1_554 |
12 |
7 |
6795 |
86.0 |
-0.7 |
0.422 |
1 |
0 |
0 |
0.007 |
24 |
26 |
|
[SO4]B:201 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
6836 |
85.8 |
-12.0 |
0.828 |
4 |
0 |
0 |
0.089 |
25 |
27 |
|
[SO4]A:203 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
6780 |
84.6 |
-11.1 |
0.863 |
3 |
0 |
0 |
0.052 |
26 |
28 |
|
[SO4]A:202 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
6780 |
76.2 |
-10.8 |
0.827 |
3 |
0 |
0 |
0.050 |
27 |
29 |
|
[SO4]C:202 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
6795 |
74.2 |
-10.3 |
0.828 |
4 |
0 |
0 |
0.078 |
28 |
30 |
|
[SO4]A:202 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
13 |
7 |
6836 |
71.4 |
-9.3 |
0.791 |
2 |
0 |
0 |
0.042 |
29 |
31 |
|
A |
13 |
7 |
6780 |
◊ |
[SO4]C:202 |
x,y,z-1 |
1_554 |
4 |
1 |
185 |
70.8 |
-9.0 |
0.803 |
2 |
0 |
0 |
0.041 |
30 |
32 |
|
C |
6 |
2 |
6795 |
x |
C |
-x-1/2,y-1/2,-z+2 |
4_447 |
9 |
4 |
6795 |
69.2 |
0.6 |
0.748 |
1 |
0 |
0 |
0.000 |
31 |
33 |
|
A |
10 |
3 |
6780 |
◊ |
B |
-x-1/2,y-1/2,-z+1 |
4_446 |
11 |
6 |
6836 |
63.4 |
-0.2 |
0.618 |
0 |
0 |
0 |
0.000 |
32 |
34 |
|
[SO4]A:204 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
6780 |
62.1 |
-8.2 |
0.757 |
2 |
0 |
0 |
0.037 |
33 |
35 |
|
[SO4]B:206 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
6836 |
59.9 |
-7.9 |
0.813 |
2 |
0 |
0 |
0.057 |
34 |
36 |
|
[SO4]C:204 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
6795 |
59.2 |
-7.8 |
0.793 |
2 |
0 |
0 |
0.056 |
35 |
37 |
|
C |
5 |
3 |
6795 |
◊ |
A |
-x,y,-z+1 |
2_556 |
6 |
2 |
6780 |
52.6 |
-0.5 |
0.484 |
0 |
0 |
0 |
0.000 |
36 |
38 |
|
[GOL]A:208 |
5 |
1 |
216 |
◊ |
A |
-x,y,-z+1 |
2_556 |
7 |
4 |
6780 |
51.4 |
0.2 |
0.661 |
1 |
0 |
0 |
0.000 |
37 |
39 |
|
[SO4]B:201 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
8 |
5 |
6795 |
50.5 |
-5.1 |
0.935 |
1 |
0 |
0 |
0.036 |
38 |
40 |
|
[1PE]B:208 |
5 |
1 |
320 |
◊ |
[1PE]B:207 |
x,y,z |
1_555 |
5 |
1 |
329 |
45.0 |
0.4 |
0.419 |
0 |
0 |
0 |
0.000 |
39 |
41 |
|
[1PE]A:206 |
3 |
1 |
327 |
f |
C |
x,y,z-1 |
1_554 |
7 |
1 |
6795 |
40.6 |
-0.9 |
0.361 |
0 |
0 |
0 |
0.006 |
40 |
42 |
|
[1PE]A:207 |
3 |
1 |
328 |
◊ |
C |
-x-1/2,y-1/2,-z+1 |
4_446 |
6 |
2 |
6795 |
38.6 |
0.2 |
0.570 |
0 |
0 |
0 |
0.000 |
41 |
43 |
|
[SO4]B:205 |
4 |
1 |
184 |
◊ |
C |
-x-1/2,y-1/2,-z+2 |
4_447 |
5 |
2 |
6795 |
37.9 |
-4.3 |
0.804 |
1 |
0 |
0 |
0.029 |
42 |
44 |
|
[1PE]A:206 |
3 |
1 |
327 |
◊ |
[1PE]A:205 |
x,y,z |
1_555 |
3 |
1 |
329 |
37.5 |
0.2 |
0.480 |
0 |
0 |
0 |
0.000 |
43 |
45 |
|
[SO4]B:205 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
6836 |
36.9 |
-4.4 |
0.782 |
1 |
0 |
0 |
0.031 |
44 |
46 |
|
[SO4]B:204 |
3 |
1 |
185 |
◊ |
C |
-x-1/2,y-1/2,-z+2 |
4_447 |
6 |
3 |
6795 |
36.6 |
-4.4 |
0.857 |
0 |
0 |
0 |
0.027 |
45 |
47 |
|
B |
5 |
3 |
6836 |
◊ |
[SO4]C:203 |
-x-1/2,y-1/2,-z+2 |
4_447 |
4 |
1 |
184 |
32.0 |
-3.4 |
0.859 |
0 |
0 |
0 |
0.021 |
46 |
48 |
|
[SO4]B:206 |
3 |
1 |
186 |
f |
[SO4]B:205 |
x,y,z |
1_555 |
4 |
1 |
184 |
30.9 |
-6.9 |
0.995 |
0 |
0 |
0 |
0.044 |
47 |
49 |
|
[SO4]B:205 |
4 |
1 |
184 |
f |
[SO4]B:204 |
x,y,z |
1_555 |
4 |
1 |
185 |
30.1 |
-6.5 |
0.998 |
0 |
0 |
0 |
0.042 |
48 |
50 |
|
[SO4]B:205 |
3 |
1 |
184 |
◊ |
[SO4]C:203 |
-x-1/2,y-1/2,-z+2 |
4_447 |
3 |
1 |
184 |
28.3 |
-6.5 |
0.992 |
0 |
0 |
0 |
0.040 |
49 |
51 |
|
[1PE]B:207 |
3 |
1 |
329 |
◊ |
A |
-x,y,-z+1 |
2_556 |
6 |
3 |
6780 |
26.2 |
0.2 |
0.565 |
0 |
0 |
0 |
0.000 |
50 |
52 |
|
B |
2 |
1 |
6836 |
x |
B |
-x-1/2,y-1/2,-z+1 |
4_446 |
2 |
1 |
6836 |
22.4 |
-0.1 |
0.446 |
0 |
0 |
0 |
0.000 |
51 |
53 |
|
[SO4]B:206 |
4 |
1 |
186 |
◊ |
[SO4]C:203 |
-x-1/2,y-1/2,-z+2 |
4_447 |
3 |
1 |
184 |
18.5 |
-4.0 |
0.995 |
0 |
0 |
0 |
0.025 |
52 |
54 |
|
[1PE]B:207 |
2 |
1 |
329 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
6780 |
16.7 |
-0.3 |
0.352 |
0 |
0 |
0 |
0.001 |
53 |
55 |
|
[SO4]A:204 |
1 |
1 |
186 |
◊ |
[SO4]C:201 |
x,y,z-1 |
1_554 |
2 |
1 |
184 |
12.5 |
-3.0 |
0.876 |
0 |
0 |
0 |
0.012 |
54 |
56 |
|
[SO4]C:204 |
3 |
1 |
186 |
◊ |
[SO4]B:201 |
x,y,z |
1_555 |
3 |
1 |
185 |
12.5 |
-2.7 |
0.992 |
0 |
0 |
0 |
0.017 |
55 |
57 |
|
[SO4]B:206 |
2 |
1 |
186 |
f |
[SO4]B:203 |
x,y,z |
1_555 |
1 |
1 |
184 |
11.0 |
-2.6 |
0.876 |
0 |
0 |
0 |
0.017 |
56 |
58 |
|
B |
4 |
2 |
6836 |
◊ |
[1PE]A:206 |
-x-1/2,y-1/2,-z+1 |
4_446 |
4 |
1 |
327 |
9.3 |
0.1 |
0.584 |
0 |
0 |
0 |
0.000 |
57 |
59 |
|
[SO4]A:204 |
1 |
1 |
186 |
◊ |
[SO4]C:202 |
x,y,z-1 |
1_554 |
1 |
1 |
185 |
8.3 |
-2.0 |
0.800 |
0 |
0 |
0 |
0.008 |
58 |
60 |
|
B |
3 |
2 |
6836 |
◊ |
C |
-x-1/2,y-1/2,-z+1 |
4_446 |
2 |
2 |
6795 |
5.7 |
-0.2 |
0.500 |
0 |
0 |
0 |
0.000 |
59 |
61 |
|
[1PE]B:208 |
2 |
1 |
320 |
f |
C |
x,y,z |
1_555 |
2 |
1 |
6795 |
5.0 |
-0.1 |
0.487 |
0 |
0 |
0 |
0.000 |
60 |
62 |
|
[SO4]C:202 |
1 |
1 |
185 |
f |
[SO4]C:201 |
x,y,z |
1_555 |
1 |
1 |
184 |
4.7 |
-1.1 |
0.800 |
0 |
0 |
0 |
0.007 |
61 |
63 |
|
[SO4]A:202 |
1 |
1 |
185 |
f |
[SO4]A:201 |
x,y,z |
1_555 |
1 |
1 |
185 |
4.2 |
-1.0 |
0.894 |
0 |
0 |
0 |
0.004 |
62 |
64 |
|
B |
1 |
1 |
6836 |
◊ |
A |
-x-1/2,y-1/2,-z+1 |
4_446 |
1 |
1 |
6780 |
2.0 |
0.0 |
0.692 |
0 |
0 |
0 |
0.000 |
63 |
65 |
|
[SO4]B:205 |
1 |
1 |
184 |
f |
[SO4]B:203 |
x,y,z |
1_555 |
1 |
1 |
184 |
1.8 |
-0.4 |
1.000 |
0 |
0 |
0 |
0.003 |
64 |
66 |
|
[1PE]A:205 |
1 |
1 |
329 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
6836 |
1.5 |
0.0 |
0.580 |
0 |
0 |
0 |
0.000 |
|