## |
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 |
102 |
15039 |
◊ |
A |
x,y,z |
1_555 |
395 |
102 |
14861 |
3892.3 |
-47.3 |
0.219 |
66 |
5 |
0 |
0.365 |
2 |
2 |
|
A |
117 |
32 |
14861 |
◊ |
B |
z,x,y |
5_555 |
116 |
33 |
15039 |
1149.5 |
-17.9 |
0.169 |
8 |
0 |
0 |
0.000 |
3 |
3 |
|
A |
100 |
27 |
14861 |
x |
A |
z,x,y |
5_555 |
112 |
33 |
14861 |
1002.2 |
-12.3 |
0.385 |
16 |
3 |
0 |
0.279 |
4 |
|
B |
108 |
32 |
15039 |
x |
B |
z,x,y |
5_555 |
98 |
26 |
15039 |
992.7 |
-12.4 |
0.324 |
17 |
3 |
0 |
0.279 |
Average: |
997.5 |
-12.4 |
0.355 |
17 |
3 |
0 |
0.279 |
4 |
5 |
|
A |
65 |
20 |
14861 |
◊ |
B |
-z,x+1/2,-y+1/2 |
8_555 |
67 |
20 |
15039 |
603.9 |
-7.0 |
0.402 |
4 |
0 |
0 |
0.057 |
5 |
6 |
|
A |
14 |
9 |
14861 |
x |
A |
-z,x+1/2,-y+1/2 |
8_555 |
12 |
4 |
14861 |
128.4 |
-0.1 |
0.662 |
0 |
0 |
0 |
0.001 |
6 |
7 |
|
[SO4]A:1312 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
14861 |
116.0 |
-18.0 |
0.699 |
2 |
0 |
0 |
0.207 |
7 |
8 |
|
[SO4]B:1314 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
15039 |
90.8 |
-13.0 |
0.791 |
3 |
0 |
0 |
0.196 |
8 |
9 |
|
[SO4]A:1313 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
14861 |
88.7 |
-12.8 |
0.721 |
3 |
0 |
0 |
0.155 |
9 |
10 |
|
[SO4]B:1305 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
15039 |
78.8 |
-10.0 |
0.899 |
2 |
0 |
0 |
0.150 |
10 |
11 |
|
[LI]B:1304 |
1 |
1 |
130 |
f |
B |
x,y,z |
1_555 |
12 |
8 |
15039 |
77.2 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.085 |
11 |
12 |
|
[LI]B:1303 |
1 |
1 |
130 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
15039 |
68.0 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.060 |
12 |
13 |
|
[SO4]A:1315 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
14861 |
65.4 |
-9.7 |
0.685 |
1 |
0 |
0 |
0.111 |
13 |
14 |
|
[LI]A:1314 |
1 |
1 |
130 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
14861 |
64.8 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.055 |
14 |
15 |
|
[LI]A:1311 |
1 |
1 |
130 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
14861 |
64.8 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.042 |
15 |
16 |
|
B |
7 |
3 |
15039 |
x |
B |
-z,x+1/2,-y+1/2 |
8_555 |
5 |
3 |
15039 |
63.9 |
-0.3 |
0.627 |
0 |
0 |
0 |
0.001 |
16 |
17 |
|
[LI]A:1310 |
1 |
1 |
130 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
14861 |
63.3 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.042 |
17 |
18 |
|
[SO4]A:1316 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
14861 |
60.5 |
-7.1 |
0.931 |
3 |
0 |
0 |
0.092 |
18 |
19 |
|
[SO4]A:1313 |
4 |
1 |
185 |
◊ |
B |
-z,x+1/2,-y+1/2 |
8_555 |
5 |
2 |
15039 |
49.3 |
-4.9 |
0.961 |
2 |
0 |
0 |
0.038 |
19 |
20 |
|
[SO4]B:1313 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
15039 |
44.9 |
-6.0 |
0.583 |
0 |
0 |
0 |
0.082 |
20 |
21 |
|
[SO4]A:1316 |
4 |
1 |
185 |
◊ |
A |
-z,x+1/2,-y+1/2 |
8_555 |
4 |
1 |
14861 |
42.7 |
-4.8 |
0.922 |
1 |
0 |
0 |
0.058 |
21 |
22 |
|
[SO4]A:1315 |
4 |
1 |
186 |
◊ |
A |
-z,x+1/2,-y+1/2 |
8_555 |
2 |
1 |
14861 |
36.8 |
-3.7 |
0.957 |
1 |
0 |
0 |
0.046 |
22 |
23 |
|
A |
5 |
2 |
14861 |
◊ |
[SO4]B:1313 |
-z,x+1/2,-y+1/2 |
8_555 |
3 |
1 |
185 |
36.4 |
-3.4 |
0.960 |
2 |
0 |
0 |
0.028 |
23 |
24 |
|
[MN]B:1307 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
15039 |
28.0 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.036 |
25 |
|
[MN]A:1304 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
14861 |
27.8 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.036 |
Average: |
27.9 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.036 |
24 |
26 |
|
[MN]B:1306 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
15039 |
27.8 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.036 |
27 |
|
[MN]A:1303 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
14861 |
27.5 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.036 |
Average: |
27.7 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.036 |
25 |
28 |
|
[O]B:1312 |
1 |
1 |
99 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
15039 |
22.8 |
0.4 |
0.830 |
0 |
0 |
0 |
0.000 |
29 |
|
[O]A:1309 |
1 |
1 |
99 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
14861 |
22.7 |
0.4 |
0.828 |
0 |
0 |
0 |
0.000 |
30 |
|
[O]B:1310 |
1 |
1 |
99 |
f |
B |
x,y,z |
1_555 |
18 |
10 |
15039 |
20.4 |
0.2 |
0.705 |
0 |
0 |
0 |
0.000 |
31 |
|
[O]A:1307 |
1 |
1 |
99 |
f |
A |
x,y,z |
1_555 |
18 |
10 |
14861 |
20.2 |
0.2 |
0.716 |
0 |
0 |
0 |
0.000 |
32 |
|
[O]B:1308 |
1 |
1 |
99 |
f |
B |
x,y,z |
1_555 |
16 |
9 |
15039 |
20.1 |
0.2 |
0.724 |
0 |
0 |
0 |
0.000 |
33 |
|
[O]A:1305 |
1 |
1 |
99 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
14861 |
20.0 |
0.2 |
0.729 |
0 |
0 |
0 |
0.000 |
Average: |
21.0 |
0.3 |
0.755 |
0 |
0 |
0 |
0.000 |
26 |
34 |
|
[O]B:1311 |
1 |
1 |
99 |
f |
B |
x,y,z |
1_555 |
15 |
10 |
15039 |
22.2 |
0.4 |
0.859 |
0 |
0 |
0 |
0.000 |
35 |
|
[O]A:1308 |
1 |
1 |
99 |
f |
A |
x,y,z |
1_555 |
14 |
9 |
14861 |
21.0 |
0.4 |
0.826 |
0 |
0 |
0 |
0.000 |
36 |
|
[O]B:1309 |
1 |
1 |
99 |
f |
B |
x,y,z |
1_555 |
14 |
9 |
15039 |
19.9 |
0.3 |
0.802 |
0 |
0 |
0 |
0.000 |
37 |
|
[O]A:1306 |
1 |
1 |
99 |
f |
A |
x,y,z |
1_555 |
15 |
9 |
14861 |
19.2 |
0.3 |
0.770 |
0 |
0 |
0 |
0.000 |
Average: |
20.6 |
0.4 |
0.815 |
0 |
0 |
0 |
0.000 |
27 |
38 |
|
[SO4]A:1312 |
4 |
1 |
186 |
f |
[LI]A:1310 |
x,y,z |
1_555 |
1 |
1 |
130 |
19.9 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.034 |
28 |
39 |
|
[SO4]B:1313 |
1 |
1 |
185 |
f |
[LI]B:1303 |
x,y,z |
1_555 |
1 |
1 |
130 |
19.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.047 |
29 |
40 |
|
[SO4]A:1316 |
3 |
1 |
185 |
f |
[LI]A:1314 |
x,y,z |
1_555 |
1 |
1 |
130 |
19.8 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.035 |
30 |
41 |
|
[SO4]A:1316 |
1 |
1 |
185 |
f |
[SO4]A:1315 |
x,y,z |
1_555 |
3 |
1 |
186 |
14.6 |
-3.5 |
0.891 |
0 |
0 |
0 |
0.038 |
31 |
42 |
|
[MN]B:1307 |
1 |
1 |
123 |
f |
[O]B:1310 |
x,y,z |
1_555 |
1 |
1 |
99 |
14.3 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.008 |
32 |
43 |
|
[MN]A:1304 |
1 |
1 |
123 |
f |
[O]A:1307 |
x,y,z |
1_555 |
1 |
1 |
99 |
14.2 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.006 |
33 |
44 |
|
A |
2 |
2 |
14861 |
◊ |
[LI]B:1303 |
-z,x+1/2,-y+1/2 |
8_555 |
1 |
1 |
130 |
13.9 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
34 |
45 |
|
[O]A:1308 |
1 |
1 |
99 |
f |
[O]A:1306 |
x,y,z |
1_555 |
1 |
1 |
99 |
13.7 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
35 |
46 |
|
[O]B:1311 |
1 |
1 |
99 |
f |
[O]B:1309 |
x,y,z |
1_555 |
1 |
1 |
99 |
13.7 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
36 |
47 |
|
[MN]A:1303 |
1 |
1 |
123 |
f |
[O]A:1309 |
x,y,z |
1_555 |
1 |
1 |
99 |
13.6 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.005 |
37 |
48 |
|
[MN]B:1306 |
1 |
1 |
123 |
f |
[O]B:1312 |
x,y,z |
1_555 |
1 |
1 |
99 |
13.5 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.006 |
38 |
49 |
|
[MN]A:1304 |
1 |
1 |
123 |
f |
[O]A:1305 |
x,y,z |
1_555 |
1 |
1 |
99 |
13.5 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.006 |
39 |
50 |
|
[MN]B:1307 |
1 |
1 |
123 |
f |
[O]B:1308 |
x,y,z |
1_555 |
1 |
1 |
99 |
13.5 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.007 |
40 |
51 |
|
[O]B:1310 |
1 |
1 |
99 |
f |
[O]B:1308 |
x,y,z |
1_555 |
1 |
1 |
99 |
13.4 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
41 |
52 |
|
[MN]A:1303 |
1 |
1 |
123 |
f |
[O]A:1305 |
x,y,z |
1_555 |
1 |
1 |
99 |
13.3 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.005 |
42 |
53 |
|
[O]A:1307 |
1 |
1 |
99 |
f |
[O]A:1305 |
x,y,z |
1_555 |
1 |
1 |
99 |
13.3 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
43 |
54 |
|
[MN]B:1307 |
1 |
1 |
123 |
f |
[O]B:1309 |
x,y,z |
1_555 |
1 |
1 |
99 |
13.1 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.007 |
44 |
55 |
|
[MN]A:1303 |
1 |
1 |
123 |
f |
[O]A:1306 |
x,y,z |
1_555 |
1 |
1 |
99 |
13.0 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.005 |
45 |
56 |
|
[MN]B:1306 |
1 |
1 |
123 |
f |
[O]B:1308 |
x,y,z |
1_555 |
1 |
1 |
99 |
13.0 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.006 |
46 |
57 |
|
[MN]B:1306 |
1 |
1 |
123 |
f |
[O]B:1309 |
x,y,z |
1_555 |
1 |
1 |
99 |
13.0 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.007 |
47 |
58 |
|
[MN]A:1304 |
1 |
1 |
123 |
f |
[O]A:1306 |
x,y,z |
1_555 |
1 |
1 |
99 |
13.0 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.006 |
48 |
59 |
|
[MN]B:1306 |
1 |
1 |
123 |
f |
[O]B:1310 |
x,y,z |
1_555 |
1 |
1 |
99 |
13.0 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.007 |
49 |
60 |
|
[MN]A:1303 |
1 |
1 |
123 |
f |
[O]A:1307 |
x,y,z |
1_555 |
1 |
1 |
99 |
12.9 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.005 |
50 |
61 |
|
[MN]A:1304 |
1 |
1 |
123 |
f |
[MN]A:1303 |
x,y,z |
1_555 |
1 |
1 |
123 |
12.9 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.014 |
51 |
62 |
|
[MN]B:1307 |
1 |
1 |
123 |
f |
[MN]B:1306 |
x,y,z |
1_555 |
1 |
1 |
123 |
12.8 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.018 |
52 |
63 |
|
[MN]B:1306 |
1 |
1 |
123 |
f |
[O]B:1311 |
x,y,z |
1_555 |
1 |
1 |
99 |
12.1 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.006 |
53 |
64 |
|
[MN]A:1303 |
1 |
1 |
123 |
f |
[O]A:1308 |
x,y,z |
1_555 |
1 |
1 |
99 |
11.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.005 |
54 |
65 |
|
[O]A:1307 |
1 |
1 |
99 |
f |
[O]A:1306 |
x,y,z |
1_555 |
1 |
1 |
99 |
11.2 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
55 |
66 |
|
[O]B:1310 |
1 |
1 |
99 |
f |
[O]B:1309 |
x,y,z |
1_555 |
1 |
1 |
99 |
11.1 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
56 |
67 |
|
[MN]A:1304 |
1 |
1 |
123 |
f |
[O]A:1308 |
x,y,z |
1_555 |
1 |
1 |
99 |
10.1 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.005 |
57 |
68 |
|
[O]B:1311 |
1 |
1 |
99 |
f |
[O]B:1310 |
x,y,z |
1_555 |
1 |
1 |
99 |
9.7 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
58 |
69 |
|
[O]A:1308 |
1 |
1 |
99 |
f |
[O]A:1307 |
x,y,z |
1_555 |
1 |
1 |
99 |
9.7 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
59 |
70 |
|
[MN]B:1307 |
1 |
1 |
123 |
f |
[O]B:1311 |
x,y,z |
1_555 |
1 |
1 |
99 |
9.6 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.005 |
60 |
71 |
|
[O]B:1312 |
1 |
1 |
99 |
f |
[O]B:1308 |
x,y,z |
1_555 |
1 |
1 |
99 |
9.6 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
61 |
72 |
|
[O]A:1309 |
1 |
1 |
99 |
f |
[O]A:1305 |
x,y,z |
1_555 |
1 |
1 |
99 |
9.6 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
62 |
73 |
|
[O]A:1309 |
1 |
1 |
99 |
f |
[O]A:1307 |
x,y,z |
1_555 |
1 |
1 |
99 |
9.6 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
63 |
74 |
|
[O]B:1312 |
1 |
1 |
99 |
f |
[O]B:1310 |
x,y,z |
1_555 |
1 |
1 |
99 |
9.5 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
64 |
75 |
|
[O]A:1309 |
1 |
1 |
99 |
f |
[O]A:1308 |
x,y,z |
1_555 |
1 |
1 |
99 |
9.1 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
65 |
76 |
|
[O]B:1312 |
1 |
1 |
99 |
f |
[O]B:1311 |
x,y,z |
1_555 |
1 |
1 |
99 |
9.1 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
66 |
77 |
|
[SO4]A:1312 |
1 |
1 |
186 |
◊ |
B |
-z,x+1/2,-y+1/2 |
8_555 |
1 |
1 |
15039 |
9.0 |
-1.0 |
0.823 |
0 |
0 |
0 |
0.006 |
67 |
78 |
|
[O]B:1309 |
1 |
1 |
99 |
f |
[O]B:1308 |
x,y,z |
1_555 |
1 |
1 |
99 |
9.0 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
68 |
79 |
|
[O]A:1306 |
1 |
1 |
99 |
f |
[O]A:1305 |
x,y,z |
1_555 |
1 |
1 |
99 |
8.9 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
69 |
80 |
|
[O]B:1312 |
1 |
1 |
99 |
f |
[O]B:1309 |
x,y,z |
1_555 |
1 |
1 |
99 |
7.9 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
70 |
81 |
|
[O]A:1309 |
1 |
1 |
99 |
f |
[O]A:1306 |
x,y,z |
1_555 |
1 |
1 |
99 |
7.8 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
71 |
82 |
|
[LI]A:1311 |
1 |
1 |
130 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
15039 |
7.5 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.002 |
72 |
83 |
|
[O]A:1308 |
1 |
1 |
99 |
f |
[O]A:1305 |
x,y,z |
1_555 |
1 |
1 |
99 |
7.2 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
73 |
84 |
|
[O]B:1311 |
1 |
1 |
99 |
f |
[O]B:1308 |
x,y,z |
1_555 |
1 |
1 |
99 |
7.1 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
74 |
85 |
|
[MN]A:1304 |
1 |
1 |
123 |
f |
[O]A:1309 |
x,y,z |
1_555 |
1 |
1 |
99 |
6.4 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.003 |
75 |
86 |
|
[LI]A:1310 |
1 |
1 |
130 |
◊ |
A |
z,x,y |
5_555 |
1 |
1 |
14861 |
6.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
76 |
87 |
|
[MN]B:1307 |
1 |
1 |
123 |
f |
[O]B:1312 |
x,y,z |
1_555 |
1 |
1 |
99 |
6.3 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
77 |
88 |
|
A |
1 |
1 |
14861 |
◊ |
[LI]B:1304 |
-z,x+1/2,-y+1/2 |
8_555 |
1 |
1 |
130 |
4.1 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
78 |
89 |
|
[SO4]A:1313 |
1 |
1 |
185 |
◊ |
A |
-z,x+1/2,-y+1/2 |
8_555 |
1 |
1 |
14861 |
1.2 |
-0.2 |
0.732 |
0 |
0 |
0 |
0.002 |
|