## |
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 |
48 |
15 |
8821 |
◊ |
B |
-y,-x+1,-z+1/2 |
8_565 |
48 |
14 |
8771 |
477.3 |
-7.1 |
0.070 |
2 |
0 |
0 |
0.000 |
2 |
2 |
|
A |
47 |
12 |
8821 |
x |
A |
-y+1/2,x+1/2,z-1/4 |
3_554 |
39 |
7 |
8821 |
369.2 |
3.0 |
0.658 |
8 |
2 |
0 |
0.000 |
3 |
|
B |
48 |
12 |
8771 |
x |
B |
-y+1/2,x-1/2,z-1/4 |
3_544 |
37 |
8 |
8771 |
364.0 |
1.6 |
0.629 |
5 |
1 |
0 |
0.000 |
Average: |
366.6 |
2.3 |
0.644 |
7 |
2 |
0 |
0.000 |
3 |
4 |
|
B |
39 |
15 |
8771 |
◊ |
A |
x,y,z |
1_555 |
40 |
14 |
8821 |
332.6 |
1.8 |
0.727 |
6 |
1 |
0 |
0.000 |
4 |
5 |
|
A |
30 |
9 |
8821 |
◊ |
B |
-y+1/2,x+1/2,z-1/4 |
3_554 |
38 |
10 |
8771 |
296.7 |
-0.2 |
0.468 |
3 |
5 |
0 |
0.002 |
5 |
6 |
|
A |
12 |
5 |
8821 |
◊ |
A |
y,x,-z |
7_555 |
13 |
5 |
8821 |
146.1 |
-4.5 |
0.017 |
0 |
0 |
0 |
0.000 |
6 |
7 |
|
[EDO]B:308 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
8771 |
112.3 |
3.7 |
0.448 |
8 |
0 |
0 |
0.000 |
7 |
8 |
|
[EDO]A:308 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
18 |
10 |
8821 |
107.3 |
3.9 |
0.584 |
5 |
0 |
0 |
0.000 |
8 |
9 |
|
[EDO]B:306 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
18 |
10 |
8771 |
107.1 |
3.9 |
0.596 |
3 |
0 |
0 |
0.000 |
9 |
10 |
|
[EDO]A:309 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
19 |
10 |
8821 |
106.0 |
3.3 |
0.420 |
4 |
0 |
0 |
0.000 |
10 |
11 |
|
[EDO]B:307 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
8771 |
101.5 |
2.8 |
0.443 |
5 |
0 |
0 |
0.000 |
11 |
12 |
|
[SO4]A:303 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
8821 |
98.7 |
-15.1 |
0.541 |
1 |
0 |
0 |
0.021 |
12 |
13 |
|
[EDO]B:309 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
21 |
6 |
8771 |
96.7 |
3.0 |
0.443 |
0 |
0 |
0 |
0.000 |
13 |
14 |
|
[EDO]A:312 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
8821 |
94.6 |
3.2 |
0.439 |
0 |
0 |
0 |
0.000 |
14 |
15 |
|
[SO4]B:303 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
4 |
8771 |
94.4 |
-13.1 |
0.873 |
3 |
0 |
0 |
0.023 |
15 |
16 |
|
[EDO]A:310 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
8821 |
93.9 |
2.0 |
0.211 |
5 |
0 |
0 |
0.000 |
16 |
17 |
|
[SO4]B:302 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
8771 |
90.9 |
-13.7 |
0.452 |
1 |
0 |
0 |
0.022 |
17 |
18 |
|
[SO4]A:304 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
4 |
8821 |
85.5 |
-10.6 |
0.881 |
5 |
0 |
0 |
0.017 |
18 |
19 |
|
[EDO]B:310 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
8771 |
83.9 |
2.1 |
0.230 |
2 |
0 |
0 |
0.000 |
19 |
20 |
|
[EDO]A:307 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
8821 |
80.3 |
2.3 |
0.229 |
1 |
0 |
0 |
0.000 |
20 |
21 |
|
A |
10 |
4 |
8821 |
◊ |
[EDO]A:311 |
-y+1/2,x+1/2,z-1/4 |
3_554 |
4 |
1 |
184 |
73.1 |
2.5 |
0.295 |
1 |
0 |
0 |
0.000 |
21 |
22 |
|
[SO4]B:304 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
8771 |
70.1 |
-9.5 |
0.774 |
2 |
0 |
0 |
0.016 |
22 |
23 |
|
[SO4]A:302 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
8821 |
70.0 |
-9.4 |
0.769 |
2 |
0 |
0 |
0.014 |
23 |
24 |
|
[CL]B:311 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
15 |
9 |
8771 |
66.6 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.019 |
25 |
|
[CL]A:314 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
9 |
8821 |
65.8 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.019 |
Average: |
66.2 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.019 |
24 |
26 |
|
B |
8 |
3 |
8771 |
◊ |
A |
-y+1/2,x-1/2,z-1/4 |
3_544 |
10 |
4 |
8821 |
66.4 |
-0.7 |
0.291 |
0 |
1 |
0 |
0.000 |
25 |
27 |
|
[SO4]A:305 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
8821 |
63.7 |
-8.4 |
0.784 |
2 |
0 |
0 |
0.012 |
26 |
28 |
|
[EDO]A:313 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
8821 |
61.9 |
0.8 |
0.640 |
4 |
0 |
0 |
0.001 |
27 |
29 |
|
[MG]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
8821 |
53.3 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.015 |
30 |
|
[MG]B:301 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
8771 |
52.6 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.015 |
Average: |
52.9 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.015 |
28 |
31 |
|
[SO4]A:305 |
4 |
1 |
184 |
◊ |
B |
-y+1/2,x+1/2,z-1/4 |
3_554 |
7 |
4 |
8771 |
52.6 |
-6.3 |
0.880 |
3 |
0 |
0 |
0.005 |
29 |
32 |
|
[MG]B:305 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
8771 |
46.5 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.010 |
33 |
|
[MG]A:306 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
8821 |
46.4 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.010 |
Average: |
46.4 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.010 |
30 |
34 |
|
A |
6 |
3 |
8821 |
◊ |
[SO4]A:304 |
-y+1/2,x+1/2,z-1/4 |
3_554 |
4 |
1 |
184 |
43.1 |
-5.5 |
0.773 |
0 |
0 |
0 |
0.000 |
31 |
35 |
|
B |
7 |
3 |
8771 |
◊ |
[SO4]B:303 |
-y+1/2,x-1/2,z-1/4 |
3_544 |
4 |
1 |
185 |
41.8 |
-5.4 |
0.760 |
0 |
0 |
0 |
0.000 |
32 |
36 |
|
B |
3 |
2 |
8771 |
◊ |
B |
y,x,-z |
7_555 |
3 |
2 |
8771 |
37.6 |
-1.2 |
0.117 |
0 |
0 |
0 |
0.000 |
33 |
37 |
|
[EDO]A:311 |
3 |
1 |
184 |
f |
[SO4]A:304 |
x,y,z |
1_555 |
4 |
1 |
184 |
35.4 |
-2.9 |
0.999 |
1 |
0 |
0 |
0.004 |
34 |
38 |
|
[EDO]A:309 |
3 |
1 |
184 |
◊ |
[EDO]A:311 |
-y+1/2,x+1/2,z-1/4 |
3_554 |
2 |
1 |
184 |
30.6 |
1.3 |
1.000 |
1 |
0 |
0 |
0.000 |
35 |
39 |
|
[EDO]A:311 |
2 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
8821 |
30.1 |
0.3 |
0.678 |
0 |
0 |
0 |
0.000 |
36 |
40 |
|
[EDO]B:310 |
4 |
1 |
184 |
f |
[SO4]B:304 |
x,y,z |
1_555 |
1 |
1 |
185 |
23.8 |
-2.5 |
0.894 |
0 |
0 |
0 |
0.004 |
37 |
41 |
|
[EDO]A:307 |
3 |
1 |
184 |
f |
[SO4]A:302 |
x,y,z |
1_555 |
1 |
1 |
185 |
22.7 |
-2.4 |
0.894 |
0 |
0 |
0 |
0.003 |
38 |
42 |
|
B |
6 |
4 |
8771 |
◊ |
B |
-y,-x,-z+1/2 |
8_555 |
6 |
4 |
8771 |
17.4 |
-0.2 |
0.522 |
0 |
0 |
0 |
0.000 |
39 |
43 |
|
[CL]A:314 |
1 |
1 |
125 |
f |
[MG]A:306 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.5 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.003 |
40 |
44 |
|
[CL]B:311 |
1 |
1 |
125 |
f |
[MG]B:305 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.3 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.003 |
41 |
45 |
|
[SO4]B:304 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
8821 |
5.3 |
-0.3 |
0.877 |
0 |
0 |
0 |
0.000 |
|