## |
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 |
117 |
35 |
12816 |
◊ |
A |
x,y,z |
1_555 |
120 |
37 |
12906 |
1175.0 |
-6.0 |
0.654 |
17 |
9 |
0 |
0.080 |
2 |
2 |
|
[N7W]B:1105 |
40 |
1 |
867 |
cf |
B |
x,y,z |
1_555 |
69 |
24 |
12816 |
549.0 |
-13.5 |
0.416 |
2 |
0 |
0 |
0.156 |
3 |
|
[N7W]A:1101 |
41 |
1 |
872 |
cf |
A |
x,y,z |
1_555 |
74 |
27 |
12906 |
547.2 |
-13.6 |
0.394 |
2 |
0 |
0 |
0.156 |
Average: |
548.1 |
-13.6 |
0.405 |
2 |
0 |
0 |
0.156 |
3 |
4 |
|
A |
47 |
14 |
12906 |
◊ |
B |
x-1,y,z |
1_455 |
46 |
14 |
12816 |
424.6 |
-5.9 |
0.292 |
1 |
1 |
0 |
0.000 |
4 |
5 |
|
A |
36 |
15 |
12906 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
37 |
14 |
12816 |
362.4 |
-0.1 |
0.732 |
10 |
0 |
0 |
0.000 |
5 |
6 |
|
B |
35 |
9 |
12816 |
◊ |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
36 |
13 |
12906 |
323.0 |
-2.0 |
0.398 |
4 |
0 |
0 |
0.000 |
6 |
7 |
|
A |
32 |
11 |
12906 |
x |
A |
-x-3/2,-y,z-1/2 |
2_354 |
24 |
8 |
12906 |
265.2 |
1.2 |
0.806 |
6 |
3 |
0 |
0.000 |
7 |
8 |
|
B |
19 |
5 |
12816 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
19 |
6 |
12906 |
188.7 |
-3.8 |
0.195 |
0 |
0 |
0 |
0.000 |
8 |
9 |
|
[SO4]B:1103 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
12816 |
94.6 |
-13.4 |
0.830 |
4 |
0 |
0 |
0.081 |
9 |
10 |
|
[SO4]B:1101 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
4 |
12906 |
79.1 |
-10.2 |
0.827 |
2 |
0 |
0 |
0.059 |
10 |
11 |
|
[SO4]B:1102 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
12816 |
76.7 |
-9.3 |
0.956 |
3 |
0 |
0 |
0.057 |
11 |
12 |
|
[SO4]A:1102 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
12816 |
75.3 |
-9.9 |
0.808 |
2 |
0 |
0 |
0.058 |
12 |
13 |
|
[SO4]A:1103 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
12906 |
71.1 |
-8.8 |
0.922 |
2 |
0 |
0 |
0.052 |
13 |
14 |
|
[SO4]A:1102 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
12906 |
67.0 |
-9.5 |
0.851 |
2 |
0 |
0 |
0.056 |
14 |
15 |
|
[SO4]A:1103 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
12816 |
65.6 |
-7.5 |
0.958 |
2 |
0 |
0 |
0.045 |
15 |
16 |
|
[SO4]B:1101 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
12816 |
65.4 |
-8.8 |
0.882 |
2 |
0 |
0 |
0.052 |
16 |
17 |
|
A |
8 |
5 |
12906 |
◊ |
B |
-x-1,y-1/2,-z-1/2 |
3_444 |
11 |
6 |
12816 |
62.0 |
-0.2 |
0.648 |
0 |
0 |
0 |
0.000 |
17 |
18 |
|
[CL]B:1104 |
1 |
1 |
125 |
f |
[N7W]B:1105 |
x,y,z |
1_555 |
7 |
1 |
867 |
53.6 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.040 |
18 |
19 |
|
[CL]A:1105 |
1 |
1 |
125 |
f |
[N7W]A:1101 |
x,y,z |
1_555 |
9 |
1 |
872 |
49.6 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.030 |
19 |
20 |
|
[MG]B:1106 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
12816 |
41.3 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.050 |
21 |
|
[MG]A:1104 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
12906 |
39.7 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.050 |
Average: |
40.5 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.050 |
20 |
22 |
|
[CL]A:1105 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
5 |
12906 |
39.0 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.021 |
21 |
23 |
|
A |
4 |
3 |
12906 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
3 |
3 |
12816 |
37.0 |
-1.1 |
0.204 |
0 |
0 |
0 |
0.000 |
22 |
24 |
|
[N7W]A:1101 |
2 |
1 |
872 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
7 |
2 |
12816 |
33.1 |
-0.7 |
0.497 |
0 |
0 |
0 |
0.000 |
23 |
25 |
|
[CL]B:1104 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
12816 |
32.8 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.021 |
24 |
26 |
|
[CL]A:1105 |
1 |
1 |
125 |
f |
[MG]A:1104 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.1 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.032 |
25 |
27 |
|
[SO4]B:1103 |
4 |
1 |
186 |
f |
[N7W]B:1105 |
x,y,z |
1_555 |
3 |
1 |
867 |
27.3 |
-3.7 |
0.758 |
0 |
0 |
0 |
0.020 |
26 |
28 |
|
[MG]B:1106 |
1 |
1 |
98 |
f |
[SO4]B:1103 |
x,y,z |
1_555 |
4 |
1 |
186 |
21.9 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.024 |
27 |
29 |
|
[MG]A:1104 |
1 |
1 |
98 |
f |
[N7W]A:1101 |
x,y,z |
1_555 |
4 |
1 |
872 |
16.3 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.015 |
30 |
|
[MG]B:1106 |
1 |
1 |
98 |
f |
[N7W]B:1105 |
x,y,z |
1_555 |
3 |
1 |
867 |
12.7 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.015 |
Average: |
14.5 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.015 |
28 |
31 |
|
[CL]B:1104 |
1 |
1 |
125 |
f |
[MG]B:1106 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.4 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.012 |
29 |
32 |
|
[SO4]B:1101 |
3 |
1 |
185 |
f |
[SO4]A:1103 |
x,y,z |
1_555 |
2 |
1 |
185 |
11.0 |
-2.5 |
0.976 |
0 |
0 |
0 |
0.014 |
30 |
33 |
|
[SO4]A:1103 |
1 |
1 |
185 |
◊ |
[SO4]A:1102 |
x,y,z |
1_555 |
1 |
1 |
186 |
11.0 |
-2.6 |
0.800 |
0 |
0 |
0 |
0.014 |
31 |
34 |
|
[CL]B:1104 |
1 |
1 |
125 |
f |
[SO4]B:1103 |
x,y,z |
1_555 |
1 |
1 |
186 |
6.3 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.007 |
32 |
35 |
|
[CL]B:1104 |
1 |
1 |
125 |
f |
[SO4]B:1102 |
x,y,z |
1_555 |
1 |
1 |
186 |
0.6 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|