## |
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 |
392 |
100 |
15077 |
◊ |
A |
x,y,z |
1_555 |
394 |
103 |
15014 |
3898.8 |
-47.0 |
0.146 |
64 |
5 |
0 |
0.334 |
2 |
2 |
|
A |
123 |
33 |
15014 |
◊ |
B |
z,x,y |
5_555 |
121 |
34 |
15077 |
1186.7 |
-17.4 |
0.174 |
9 |
0 |
0 |
0.000 |
3 |
3 |
|
A |
104 |
27 |
15014 |
x |
A |
z,x,y |
5_555 |
111 |
33 |
15014 |
1018.4 |
-12.0 |
0.334 |
16 |
6 |
0 |
0.236 |
4 |
|
B |
111 |
34 |
15077 |
x |
B |
z,x,y |
5_555 |
97 |
26 |
15077 |
994.2 |
-12.4 |
0.281 |
17 |
3 |
0 |
0.236 |
Average: |
1006.3 |
-12.2 |
0.308 |
17 |
5 |
0 |
0.236 |
4 |
5 |
|
A |
61 |
20 |
15014 |
◊ |
B |
-z,x+1/2,-y+1/2 |
8_555 |
62 |
20 |
15077 |
584.2 |
-5.4 |
0.475 |
3 |
0 |
0 |
0.027 |
5 |
6 |
|
[SO4]A:1308 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
15014 |
117.1 |
-18.0 |
0.678 |
2 |
0 |
0 |
0.179 |
6 |
7 |
|
[SO4]A:1307 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
15014 |
93.6 |
-13.7 |
0.629 |
3 |
0 |
0 |
0.141 |
7 |
8 |
|
[SO4]B:1309 |
5 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
15077 |
90.5 |
-13.1 |
0.755 |
3 |
0 |
0 |
0.166 |
8 |
9 |
|
[SO4]B:1303 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
15077 |
81.0 |
-10.2 |
0.897 |
2 |
0 |
0 |
0.128 |
9 |
10 |
|
A |
11 |
7 |
15014 |
x |
A |
-z,x+1/2,-y+1/2 |
8_555 |
9 |
4 |
15014 |
80.2 |
1.0 |
0.687 |
0 |
0 |
0 |
0.000 |
10 |
11 |
|
[LI]A:1309 |
1 |
1 |
130 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
15014 |
63.4 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.037 |
11 |
12 |
|
[SO4]A:1310 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
15014 |
58.0 |
-6.4 |
0.934 |
2 |
0 |
0 |
0.069 |
12 |
13 |
|
[CL]B:1308 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
18 |
10 |
15077 |
43.5 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.077 |
14 |
|
[CL]A:1306 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
18 |
10 |
15014 |
42.9 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.077 |
Average: |
43.2 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.077 |
13 |
15 |
|
[CL]B:1307 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
16 |
9 |
15077 |
41.6 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.079 |
16 |
|
[CL]A:1305 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
15014 |
41.1 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.079 |
Average: |
41.3 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.079 |
14 |
17 |
|
[SO4]A:1307 |
3 |
1 |
185 |
◊ |
B |
-z,x+1/2,-y+1/2 |
8_555 |
4 |
2 |
15077 |
39.9 |
-3.5 |
0.971 |
2 |
0 |
0 |
0.018 |
15 |
18 |
|
[MN]A:1303 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
15014 |
39.0 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.041 |
19 |
|
[MN]B:1305 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
20 |
10 |
15077 |
38.7 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.041 |
Average: |
38.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.041 |
16 |
20 |
|
[MN]A:1304 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
15014 |
36.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.039 |
21 |
|
[MN]B:1306 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
15077 |
36.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.039 |
Average: |
36.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.039 |
17 |
22 |
|
[SO4]A:1310 |
4 |
1 |
186 |
◊ |
A |
-z,x+1/2,-y+1/2 |
8_555 |
5 |
1 |
15014 |
35.2 |
-4.4 |
0.773 |
1 |
0 |
0 |
0.019 |
18 |
23 |
|
[CL]A:1306 |
1 |
1 |
125 |
f |
[MN]A:1304 |
x,y,z |
1_555 |
1 |
1 |
123 |
20.8 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.029 |
19 |
24 |
|
[CL]B:1308 |
1 |
1 |
125 |
f |
[MN]B:1306 |
x,y,z |
1_555 |
1 |
1 |
123 |
20.6 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.036 |
20 |
25 |
|
[CL]A:1305 |
1 |
1 |
125 |
f |
[MN]A:1303 |
x,y,z |
1_555 |
1 |
1 |
123 |
20.6 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.029 |
21 |
26 |
|
[CL]B:1307 |
1 |
1 |
125 |
f |
[MN]B:1305 |
x,y,z |
1_555 |
1 |
1 |
123 |
20.6 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.036 |
22 |
27 |
|
[CL]B:1307 |
1 |
1 |
125 |
f |
[MN]B:1306 |
x,y,z |
1_555 |
1 |
1 |
123 |
20.2 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.035 |
23 |
28 |
|
[CL]A:1305 |
1 |
1 |
125 |
f |
[MN]A:1304 |
x,y,z |
1_555 |
1 |
1 |
123 |
20.2 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.029 |
24 |
29 |
|
[LI]A:1309 |
1 |
1 |
130 |
f |
[SO4]A:1308 |
x,y,z |
1_555 |
4 |
1 |
185 |
20.2 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.030 |
25 |
30 |
|
[CL]B:1308 |
1 |
1 |
125 |
f |
[MN]B:1305 |
x,y,z |
1_555 |
1 |
1 |
123 |
20.2 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.035 |
26 |
31 |
|
[CL]A:1306 |
1 |
1 |
125 |
f |
[MN]A:1303 |
x,y,z |
1_555 |
1 |
1 |
123 |
20.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.028 |
27 |
32 |
|
B |
2 |
1 |
15077 |
◊ |
[SO4]B:1304 |
-z,x+1/2,-y+1/2 |
8_555 |
3 |
1 |
185 |
19.8 |
-2.0 |
0.961 |
0 |
0 |
0 |
0.008 |
28 |
33 |
|
[SO4]B:1304 |
2 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
15077 |
19.7 |
-2.0 |
0.946 |
0 |
0 |
0 |
0.023 |
29 |
34 |
|
[SO4]B:1304 |
2 |
1 |
185 |
◊ |
B |
-z,x+1/2,-y+1/2 |
8_555 |
2 |
1 |
15077 |
19.6 |
-2.0 |
0.943 |
0 |
0 |
0 |
0.008 |
30 |
35 |
|
[CL]A:1306 |
1 |
1 |
125 |
f |
[CL]A:1305 |
x,y,z |
1_555 |
1 |
1 |
125 |
17.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.032 |
31 |
36 |
|
[CL]B:1308 |
1 |
1 |
125 |
f |
[CL]B:1307 |
x,y,z |
1_555 |
1 |
1 |
125 |
16.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.039 |
32 |
37 |
|
[MN]B:1306 |
1 |
1 |
123 |
f |
[MN]B:1305 |
x,y,z |
1_555 |
1 |
1 |
123 |
16.1 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.019 |
33 |
38 |
|
[MN]A:1304 |
1 |
1 |
123 |
f |
[MN]A:1303 |
x,y,z |
1_555 |
1 |
1 |
123 |
16.1 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.015 |
34 |
39 |
|
B |
3 |
2 |
15077 |
x |
B |
-z,x+1/2,-y+1/2 |
8_555 |
3 |
3 |
15077 |
15.2 |
0.6 |
0.849 |
0 |
0 |
0 |
0.000 |
35 |
40 |
|
B |
4 |
2 |
15077 |
◊ |
A |
-z,x+1/2,-y+1/2 |
8_555 |
2 |
1 |
15014 |
12.1 |
0.0 |
0.707 |
0 |
0 |
0 |
0.000 |
36 |
41 |
|
[SO4]A:1308 |
1 |
1 |
185 |
◊ |
B |
-z,x+1/2,-y+1/2 |
8_555 |
1 |
1 |
15077 |
9.1 |
-1.0 |
0.822 |
0 |
0 |
0 |
0.004 |
37 |
42 |
|
[LI]A:1309 |
1 |
1 |
130 |
◊ |
A |
z,x,y |
5_555 |
1 |
1 |
15014 |
5.9 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
38 |
43 |
|
[SO4]B:1309 |
1 |
1 |
183 |
f |
[SO4]B:1304 |
x,y,z |
1_555 |
1 |
1 |
185 |
4.0 |
-1.0 |
1.000 |
0 |
0 |
0 |
0.011 |
39 |
44 |
|
[SO4]B:1309 |
1 |
1 |
183 |
◊ |
[SO4]B:1304 |
-z,x+1/2,-y+1/2 |
8_555 |
1 |
1 |
185 |
4.0 |
-1.0 |
1.000 |
0 |
0 |
0 |
0.004 |
40 |
45 |
|
[SO4]B:1304 |
1 |
1 |
185 |
◊ |
[SO4]B:1309 |
-z,x+1/2,-y+1/2 |
8_555 |
1 |
1 |
183 |
3.9 |
-0.9 |
1.000 |
0 |
0 |
0 |
0.004 |
41 |
46 |
|
[SO4]A:1307 |
1 |
1 |
185 |
◊ |
A |
-z,x+1/2,-y+1/2 |
8_555 |
1 |
1 |
15014 |
3.5 |
-0.5 |
0.650 |
0 |
0 |
0 |
0.002 |
|