## |
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 |
|
E |
58 |
17 |
5292 |
◊ |
A |
x,y,z |
1_555 |
57 |
14 |
5299 |
523.5 |
1.5 |
0.640 |
8 |
7 |
0 |
0.071 |
2 |
|
F |
57 |
17 |
5322 |
◊ |
C |
x,y,z |
1_555 |
54 |
13 |
5330 |
522.1 |
2.1 |
0.701 |
10 |
9 |
0 |
0.071 |
Average: |
522.8 |
1.8 |
0.671 |
9 |
8 |
0 |
0.071 |
2 |
3 |
|
E |
54 |
13 |
5292 |
◊ |
B |
x,y,z |
1_555 |
51 |
12 |
5107 |
474.8 |
-0.8 |
0.439 |
9 |
11 |
0 |
0.064 |
4 |
|
F |
47 |
12 |
5322 |
◊ |
D |
x,y,z |
1_555 |
56 |
13 |
5163 |
470.2 |
-1.6 |
0.376 |
7 |
11 |
0 |
0.064 |
Average: |
472.5 |
-1.2 |
0.407 |
8 |
11 |
0 |
0.064 |
3 |
5 |
|
E |
48 |
11 |
5292 |
◊ |
C |
x,y,z |
1_555 |
44 |
12 |
5330 |
452.0 |
-2.2 |
0.339 |
3 |
1 |
0 |
0.083 |
6 |
|
F |
43 |
11 |
5322 |
◊ |
A |
x,y,z |
1_555 |
43 |
13 |
5299 |
447.3 |
-2.2 |
0.322 |
4 |
2 |
0 |
0.083 |
Average: |
449.6 |
-2.2 |
0.331 |
4 |
2 |
0 |
0.083 |
4 |
7 |
|
B |
43 |
14 |
5107 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
45 |
16 |
5299 |
437.3 |
2.1 |
0.606 |
5 |
3 |
0 |
0.000 |
8 |
|
D |
39 |
13 |
5163 |
◊ |
C |
-x-1,y-1/2,-z |
2_445 |
44 |
17 |
5330 |
403.5 |
1.4 |
0.613 |
6 |
1 |
0 |
0.000 |
Average: |
420.4 |
1.7 |
0.610 |
6 |
2 |
0 |
0.000 |
5 |
9 |
|
F |
36 |
10 |
5322 |
◊ |
E |
x,y,z-1 |
1_554 |
35 |
10 |
5292 |
305.4 |
-5.6 |
0.067 |
1 |
3 |
0 |
0.000 |
6 |
10 |
|
B |
18 |
4 |
5107 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
27 |
6 |
5322 |
197.6 |
-0.6 |
0.437 |
1 |
0 |
0 |
0.000 |
11 |
|
D |
18 |
4 |
5163 |
◊ |
E |
-x-1,y-1/2,-z |
2_445 |
29 |
6 |
5292 |
194.0 |
-0.8 |
0.384 |
1 |
0 |
0 |
0.000 |
Average: |
195.8 |
-0.7 |
0.411 |
1 |
0 |
0 |
0.000 |
7 |
12 |
|
D |
23 |
8 |
5163 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
16 |
6 |
5299 |
166.4 |
-0.2 |
0.526 |
2 |
1 |
0 |
0.000 |
13 |
|
B |
21 |
8 |
5107 |
◊ |
C |
-x-1,y-1/2,-z |
2_445 |
14 |
5 |
5330 |
161.6 |
-0.2 |
0.535 |
2 |
1 |
0 |
0.000 |
Average: |
164.0 |
-0.2 |
0.530 |
2 |
1 |
0 |
0.000 |
8 |
14 |
|
B |
17 |
5 |
5107 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
5299 |
164.7 |
-0.6 |
0.470 |
3 |
2 |
0 |
0.017 |
15 |
|
D |
15 |
4 |
5163 |
◊ |
C |
x,y,z |
1_555 |
15 |
6 |
5330 |
157.1 |
0.5 |
0.568 |
3 |
2 |
0 |
0.017 |
Average: |
160.9 |
-0.1 |
0.519 |
3 |
2 |
0 |
0.017 |
9 |
16 |
|
[SO4]B:101 |
5 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
17 |
5 |
5107 |
110.5 |
-17.0 |
0.669 |
7 |
0 |
0 |
0.257 |
10 |
17 |
|
[SO4]D:101 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
15 |
6 |
5163 |
108.7 |
-17.4 |
0.709 |
9 |
0 |
0 |
0.274 |
11 |
18 |
|
[SO4]A:101 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
5299 |
107.0 |
-16.9 |
0.780 |
9 |
0 |
0 |
0.217 |
12 |
19 |
|
[SO4]C:101 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
5330 |
106.0 |
-17.2 |
0.764 |
9 |
0 |
0 |
0.220 |
13 |
20 |
|
[SO4]A:102 |
5 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
5299 |
73.6 |
-8.7 |
0.829 |
1 |
0 |
0 |
0.095 |
14 |
21 |
|
[SO4]B:102 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
5163 |
72.7 |
-10.1 |
0.771 |
3 |
0 |
0 |
0.146 |
15 |
22 |
|
[SO4]C:102 |
5 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
5330 |
70.8 |
-8.2 |
0.838 |
2 |
0 |
0 |
0.094 |
16 |
23 |
|
F |
9 |
3 |
5322 |
◊ |
E |
x,y,z |
1_555 |
10 |
3 |
5292 |
68.7 |
0.5 |
0.621 |
0 |
0 |
0 |
0.000 |
17 |
24 |
|
[SO4]B:102 |
5 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
5107 |
66.2 |
-9.2 |
0.763 |
3 |
0 |
0 |
0.135 |
18 |
25 |
|
[CL]D:102 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
5163 |
51.4 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.171 |
26 |
|
[CL]B:103 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
5107 |
48.9 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.171 |
Average: |
50.2 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.171 |
19 |
27 |
|
[SO4]C:102 |
4 |
1 |
183 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
5292 |
42.2 |
-3.8 |
0.977 |
2 |
0 |
0 |
0.048 |
20 |
28 |
|
[SO4]A:102 |
4 |
1 |
183 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
5322 |
41.1 |
-3.7 |
0.974 |
2 |
0 |
0 |
0.047 |
21 |
29 |
|
[SO4]C:102 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
5299 |
38.6 |
-4.7 |
0.331 |
1 |
0 |
0 |
0.054 |
22 |
30 |
|
[SO4]A:102 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
5330 |
36.8 |
-4.2 |
0.503 |
1 |
0 |
0 |
0.048 |
23 |
31 |
|
F |
3 |
1 |
5322 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
5107 |
35.1 |
-1.1 |
0.171 |
0 |
0 |
0 |
0.011 |
32 |
|
E |
3 |
1 |
5292 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
5163 |
35.0 |
-1.0 |
0.188 |
0 |
0 |
0 |
0.011 |
Average: |
35.1 |
-1.0 |
0.180 |
0 |
0 |
0 |
0.011 |
24 |
33 |
|
D |
4 |
2 |
5163 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
5107 |
30.3 |
-0.1 |
0.401 |
0 |
0 |
0 |
0.000 |
25 |
34 |
|
[CL]B:103 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
5292 |
22.3 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.017 |
35 |
|
[CL]D:102 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
5322 |
20.7 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.017 |
Average: |
21.5 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.017 |
26 |
36 |
|
[CL]B:103 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
5299 |
21.4 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.012 |
37 |
|
[CL]D:102 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
5330 |
5.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.012 |
Average: |
13.4 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.012 |
27 |
38 |
|
[SO4]A:101 |
4 |
1 |
186 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
5322 |
17.9 |
-1.1 |
0.959 |
0 |
0 |
0 |
0.011 |
28 |
39 |
|
[SO4]C:101 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
5292 |
16.7 |
-1.0 |
0.977 |
0 |
0 |
0 |
0.010 |
29 |
40 |
|
[SO4]D:101 |
1 |
1 |
184 |
f |
[SO4]B:102 |
x,y,z |
1_555 |
1 |
1 |
184 |
3.1 |
-0.8 |
1.000 |
0 |
0 |
0 |
0.010 |
30 |
41 |
|
[SO4]C:102 |
1 |
1 |
183 |
◊ |
[SO4]A:102 |
x,y,z |
1_555 |
1 |
1 |
183 |
2.8 |
-0.7 |
1.000 |
0 |
0 |
0 |
0.007 |
31 |
42 |
|
[SO4]B:102 |
1 |
1 |
184 |
◊ |
[SO4]B:101 |
x,y,z |
1_555 |
3 |
1 |
183 |
2.5 |
-0.6 |
1.000 |
0 |
0 |
0 |
0.007 |
32 |
43 |
|
[SO4]C:101 |
3 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
5163 |
2.4 |
-0.1 |
0.868 |
0 |
0 |
0 |
0.000 |
33 |
44 |
|
[SO4]D:101 |
1 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
5107 |
0.4 |
-0.1 |
0.750 |
0 |
0 |
0 |
0.000 |
34 |
45 |
|
[SO4]A:101 |
2 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
5107 |
0.4 |
-0.0 |
0.827 |
0 |
0 |
0 |
0.000 |
|