| ## |
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 |
330 |
80 |
12665 |
◊ |
A |
-x,y,-z+1 |
2_556 |
329 |
80 |
12665 |
2949.6 |
-38.2 |
0.099 |
30 |
4 |
0 |
0.000 |
2 |
|
F |
314 |
79 |
11901 |
◊ |
D |
x,y,z |
1_555 |
320 |
76 |
11644 |
2859.6 |
-37.1 |
0.153 |
25 |
4 |
0 |
0.000 |
3 |
|
E |
291 |
69 |
11439 |
◊ |
C |
x,y,z |
1_555 |
301 |
73 |
11680 |
2720.3 |
-35.6 |
0.085 |
25 |
1 |
0 |
0.000 |
4 |
|
B |
300 |
73 |
11874 |
◊ |
B |
-x,y,-z+1 |
2_556 |
301 |
74 |
11874 |
2707.8 |
-42.4 |
0.046 |
24 |
2 |
0 |
0.000 |
| Average: |
2809.3 |
-38.3 |
0.096 |
26 |
3 |
0 |
0.000 |
| 2 |
5 |
|
D |
100 |
29 |
11644 |
◊ |
C |
x,y,z |
1_555 |
96 |
28 |
11680 |
909.4 |
-5.8 |
0.573 |
14 |
10 |
0 |
0.124 |
6 |
|
F |
96 |
27 |
11901 |
◊ |
E |
x,y,z |
1_555 |
101 |
30 |
11439 |
849.3 |
-4.8 |
0.624 |
12 |
9 |
0 |
0.124 |
7 |
|
B |
97 |
27 |
11874 |
◊ |
A |
x,y,z |
1_555 |
92 |
29 |
12665 |
845.2 |
-4.7 |
0.615 |
11 |
8 |
0 |
0.124 |
| Average: |
868.0 |
-5.1 |
0.604 |
12 |
9 |
0 |
0.124 |
| 3 |
8 |
|
E |
45 |
10 |
11439 |
◊ |
B |
x,y,z |
1_555 |
43 |
10 |
11874 |
434.0 |
-4.0 |
0.416 |
5 |
5 |
0 |
0.000 |
| 4 |
9 |
|
A |
46 |
13 |
12665 |
◊ |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
47 |
11 |
11644 |
420.0 |
-4.5 |
0.382 |
4 |
0 |
0 |
0.000 |
| 5 |
10 |
|
F |
37 |
12 |
11901 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
37 |
8 |
11680 |
377.6 |
-3.7 |
0.425 |
5 |
3 |
0 |
0.000 |
| 6 |
11 |
|
A |
27 |
7 |
12665 |
◊ |
F |
x-1/2,y-1/2,z |
3_445 |
33 |
8 |
11901 |
253.5 |
-1.7 |
0.580 |
2 |
0 |
0 |
0.000 |
| 7 |
12 |
|
A |
27 |
8 |
12665 |
◊ |
D |
-x+1/2,y-1/2,-z |
4_545 |
17 |
6 |
11644 |
199.6 |
-1.9 |
0.384 |
2 |
0 |
0 |
0.000 |
| 8 |
13 |
|
E |
18 |
5 |
11439 |
◊ |
D |
x,y,z |
1_555 |
19 |
5 |
11644 |
192.6 |
-5.2 |
0.037 |
0 |
0 |
0 |
0.000 |
14 |
|
B |
20 |
6 |
11874 |
◊ |
A |
-x,y,-z+1 |
2_556 |
20 |
6 |
12665 |
191.4 |
-5.2 |
0.051 |
0 |
0 |
0 |
0.000 |
15 |
|
F |
20 |
6 |
11901 |
◊ |
C |
x,y,z |
1_555 |
18 |
5 |
11680 |
189.1 |
-5.2 |
0.046 |
0 |
0 |
0 |
0.000 |
| Average: |
191.0 |
-5.2 |
0.045 |
0 |
0 |
0 |
0.000 |
| 9 |
16 |
|
B |
13 |
4 |
11874 |
◊ |
B |
-x,y,-z |
2_555 |
13 |
4 |
11874 |
139.2 |
-0.2 |
0.678 |
0 |
0 |
0 |
0.000 |
| 10 |
17 |
|
[SO4]E:233 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
21 |
8 |
11439 |
109.7 |
-21.0 |
0.657 |
4 |
0 |
0 |
0.205 |
| 11 |
18 |
|
[SO4]D:232 |
5 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
17 |
7 |
11644 |
109.2 |
-20.7 |
0.695 |
6 |
0 |
0 |
0.215 |
| 12 |
19 |
|
[SO4]F:232 |
5 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
18 |
8 |
11901 |
108.5 |
-20.7 |
0.661 |
3 |
0 |
0 |
0.198 |
| 13 |
20 |
|
[SO4]A:234 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
12665 |
106.7 |
-20.9 |
0.664 |
3 |
0 |
0 |
0.226 |
| 14 |
21 |
|
[SO4]B:232 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
11874 |
104.9 |
-21.0 |
0.686 |
3 |
0 |
0 |
0.226 |
| 15 |
22 |
|
[SO4]C:233 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
15 |
7 |
11680 |
103.0 |
-21.2 |
0.641 |
3 |
0 |
0 |
0.207 |
| 16 |
23 |
|
[SO4]F:231 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
19 |
7 |
11901 |
86.5 |
-11.4 |
0.833 |
1 |
0 |
0 |
0.106 |
| 17 |
24 |
|
[SO4]C:232 |
5 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
14 |
5 |
11439 |
81.8 |
-10.0 |
0.807 |
1 |
0 |
0 |
0.000 |
| 18 |
25 |
|
[SO4]C:232 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
15 |
5 |
11680 |
80.8 |
-10.4 |
0.788 |
2 |
0 |
0 |
0.104 |
| 19 |
26 |
|
[SO4]E:232 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
9 |
5 |
11439 |
80.4 |
-9.6 |
0.956 |
5 |
0 |
0 |
0.106 |
| 20 |
27 |
|
[SO4]D:231 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
11680 |
78.5 |
-9.1 |
0.973 |
4 |
0 |
0 |
0.099 |
| 21 |
28 |
|
[SO4]A:232 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
12665 |
77.6 |
-9.2 |
0.972 |
5 |
0 |
0 |
0.116 |
| 22 |
29 |
|
[SO4]A:231 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
11874 |
76.8 |
-9.0 |
0.977 |
5 |
0 |
0 |
0.114 |
| 23 |
30 |
|
[SO4]C:231 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
11644 |
76.6 |
-8.8 |
0.980 |
3 |
0 |
0 |
0.093 |
| 24 |
31 |
|
[SO4]E:231 |
5 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
11 |
4 |
11439 |
76.2 |
-10.5 |
0.801 |
0 |
0 |
0 |
0.094 |
| 25 |
32 |
|
[SO4]E:231 |
5 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
8 |
4 |
11901 |
76.2 |
-9.1 |
0.976 |
6 |
0 |
0 |
0.105 |
| 26 |
33 |
|
[SO4]A:231 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
12665 |
75.4 |
-10.2 |
0.807 |
2 |
0 |
0 |
0.113 |
| 27 |
34 |
|
A |
10 |
3 |
12665 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
13 |
3 |
11644 |
74.9 |
0.1 |
0.652 |
1 |
0 |
0 |
0.000 |
35 |
|
A |
9 |
3 |
12665 |
◊ |
F |
-x+1/2,y-1/2,-z+1 |
4_546 |
8 |
3 |
11901 |
60.3 |
-1.3 |
0.375 |
0 |
0 |
0 |
0.000 |
| Average: |
67.6 |
-0.6 |
0.513 |
1 |
0 |
0 |
0.000 |
| 28 |
36 |
|
[SO4]F:231 |
5 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
13 |
5 |
11644 |
71.1 |
-9.2 |
0.873 |
2 |
0 |
0 |
0.000 |
| 29 |
37 |
|
C |
10 |
2 |
11680 |
◊ |
B |
-x,y,-z+1 |
2_556 |
11 |
3 |
11874 |
69.9 |
-1.1 |
0.482 |
0 |
0 |
0 |
0.000 |
| 30 |
38 |
|
[SO4]A:232 |
5 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
11874 |
67.0 |
-8.1 |
0.870 |
3 |
0 |
0 |
0.096 |
| 31 |
39 |
|
[SO4]A:233 |
5 |
1 |
185 |
◊ |
A |
-x,y,-z+1 |
2_556 |
14 |
5 |
12665 |
66.3 |
-8.2 |
0.827 |
3 |
0 |
0 |
0.000 |
| 32 |
40 |
|
[SO4]C:231 |
5 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
11680 |
65.6 |
-8.3 |
0.861 |
2 |
0 |
0 |
0.084 |
| 33 |
41 |
|
[SO4]B:231 |
5 |
1 |
185 |
◊ |
B |
-x,y,-z+1 |
2_556 |
17 |
6 |
11874 |
64.8 |
-8.4 |
0.814 |
1 |
0 |
0 |
0.000 |
| 34 |
42 |
|
[SO4]D:231 |
5 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
11644 |
62.5 |
-7.7 |
0.905 |
1 |
0 |
0 |
0.075 |
| 35 |
43 |
|
[SO4]E:232 |
4 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
6 |
2 |
11901 |
61.0 |
-8.0 |
0.868 |
2 |
0 |
0 |
0.080 |
| 36 |
44 |
|
[SO4]A:233 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
12665 |
58.5 |
-7.2 |
0.846 |
2 |
0 |
0 |
0.000 |
| 37 |
45 |
|
C |
9 |
3 |
11680 |
◊ |
E |
x,y,z-1 |
1_554 |
8 |
2 |
11439 |
58.2 |
-0.4 |
0.599 |
0 |
0 |
0 |
0.000 |
| 38 |
46 |
|
[SO4]B:231 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
11874 |
56.5 |
-7.3 |
0.760 |
1 |
0 |
0 |
0.000 |
| 39 |
47 |
|
[SO4]B:231 |
5 |
1 |
185 |
f |
[SO4]B:231 |
-x,y,-z+1 |
2_556 |
5 |
1 |
185 |
46.3 |
-10.1 |
0.993 |
0 |
0 |
0 |
0.100 |
| 40 |
48 |
|
[SO4]A:233 |
5 |
1 |
185 |
f |
[SO4]A:233 |
-x,y,-z+1 |
2_556 |
5 |
1 |
185 |
46.2 |
-10.3 |
0.993 |
0 |
0 |
0 |
0.100 |
| 41 |
49 |
|
F |
8 |
2 |
11901 |
◊ |
E |
x,y,z-1 |
1_554 |
6 |
2 |
11439 |
45.1 |
-0.5 |
0.551 |
0 |
0 |
0 |
0.000 |
| 42 |
50 |
|
D |
2 |
1 |
11644 |
x |
D |
x,y,z-1 |
1_554 |
6 |
2 |
11644 |
42.3 |
0.7 |
0.772 |
1 |
0 |
0 |
0.000 |
| 43 |
51 |
|
A |
4 |
1 |
12665 |
x |
A |
x,y,z-1 |
1_554 |
5 |
2 |
12665 |
37.4 |
1.2 |
0.830 |
2 |
0 |
0 |
0.000 |
| 44 |
52 |
|
F |
1 |
1 |
11901 |
x |
F |
x,y,z-1 |
1_554 |
1 |
1 |
11901 |
2.8 |
-0.0 |
0.579 |
0 |
0 |
0 |
0.000 |
| 45 |
53 |
|
[SO4]F:232 |
1 |
1 |
184 |
f |
[ZN]F:230 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.004 |
|