| ## |
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 |
|
D |
40 |
9 |
1247 |
◊ |
B |
x,y,z |
1_555 |
59 |
24 |
11353 |
474.4 |
-1.2 |
0.567 |
10 |
5 |
0 |
0.044 |
2 |
|
C |
40 |
10 |
1256 |
◊ |
A |
x,y,z |
1_555 |
59 |
22 |
11464 |
464.6 |
-0.9 |
0.549 |
11 |
5 |
0 |
0.044 |
| Average: |
469.5 |
-1.0 |
0.558 |
11 |
5 |
0 |
0.044 |
| 2 |
3 |
|
B |
38 |
14 |
11353 |
◊ |
A |
x,y,z |
1_555 |
40 |
15 |
11464 |
429.4 |
3.1 |
0.901 |
4 |
0 |
0 |
0.000 |
| 3 |
4 |
|
B |
48 |
15 |
11353 |
◊ |
A |
y,x,-z |
6_555 |
38 |
12 |
11464 |
428.7 |
2.2 |
0.842 |
7 |
1 |
0 |
0.000 |
| 4 |
5 |
|
B |
41 |
11 |
11353 |
◊ |
A |
-y-1/2,x-1/2,z+3/4 |
2_445 |
41 |
11 |
11464 |
382.2 |
2.0 |
0.834 |
6 |
4 |
0 |
0.000 |
| 5 |
6 |
|
A |
39 |
14 |
11464 |
x |
A |
-y-1/2,x-1/2,z-1/4 |
2_444 |
40 |
15 |
11464 |
364.8 |
-0.0 |
0.516 |
4 |
5 |
0 |
0.000 |
7 |
|
B |
36 |
15 |
11353 |
x |
B |
-y-1/2,x-1/2,z-1/4 |
2_444 |
38 |
14 |
11353 |
348.7 |
-0.2 |
0.489 |
4 |
6 |
0 |
0.000 |
| Average: |
356.8 |
-0.1 |
0.503 |
4 |
6 |
0 |
0.000 |
| 6 |
8 |
|
B |
31 |
13 |
11353 |
◊ |
[12P]A:1595 |
-y-1/2,x-1/2,z+3/4 |
2_445 |
21 |
1 |
743 |
262.7 |
-1.1 |
0.737 |
3 |
0 |
0 |
0.000 |
| 7 |
9 |
|
[12P]A:1595 |
21 |
1 |
743 |
f |
A |
x,y,z |
1_555 |
30 |
13 |
11464 |
261.4 |
-2.9 |
0.663 |
3 |
0 |
0 |
0.064 |
| 8 |
10 |
|
A |
14 |
5 |
11464 |
◊ |
B |
-x,-y-1,z-1/2 |
3_544 |
15 |
5 |
11353 |
138.9 |
-0.3 |
0.578 |
0 |
0 |
0 |
0.000 |
| 9 |
11 |
|
[EDO]A:1592 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
23 |
10 |
11464 |
100.9 |
3.8 |
0.698 |
6 |
0 |
0 |
0.000 |
12 |
|
[EDO]B:1593 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
23 |
10 |
11353 |
100.3 |
3.7 |
0.705 |
6 |
0 |
0 |
0.000 |
| Average: |
100.6 |
3.8 |
0.702 |
6 |
0 |
0 |
0.000 |
| 10 |
13 |
|
[EDO]D:1567 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
11353 |
97.7 |
2.8 |
0.466 |
1 |
0 |
0 |
0.000 |
| 11 |
14 |
|
[EDO]C:1567 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
11464 |
95.0 |
2.8 |
0.448 |
1 |
0 |
0 |
0.000 |
| 12 |
15 |
|
[EDO]B:1594 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
11353 |
83.6 |
2.7 |
0.520 |
3 |
0 |
0 |
0.000 |
16 |
|
[EDO]A:1594 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
11464 |
83.1 |
2.7 |
0.515 |
3 |
0 |
0 |
0.000 |
| Average: |
83.3 |
2.7 |
0.517 |
3 |
0 |
0 |
0.000 |
| 13 |
17 |
|
[SO4]B:1592 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
11464 |
70.3 |
-8.7 |
0.910 |
3 |
0 |
0 |
0.154 |
| 14 |
18 |
|
B |
8 |
2 |
11353 |
◊ |
D |
-y-1/2,x-1/2,z-1/4 |
2_444 |
6 |
1 |
1247 |
68.8 |
-0.9 |
0.340 |
0 |
0 |
0 |
0.000 |
19 |
|
C |
8 |
2 |
1256 |
◊ |
A |
-y-1/2,x-1/2,z-1/4 |
2_444 |
9 |
3 |
11464 |
68.2 |
-0.3 |
0.476 |
0 |
0 |
0 |
0.000 |
| Average: |
68.5 |
-0.6 |
0.408 |
0 |
0 |
0 |
0.000 |
| 15 |
20 |
|
[SO4]B:1592 |
5 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
11353 |
68.2 |
-8.3 |
0.931 |
3 |
0 |
0 |
0.147 |
| 16 |
21 |
|
[SO4]A:1593 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
11464 |
66.0 |
-8.1 |
0.932 |
4 |
0 |
0 |
0.151 |
| 17 |
22 |
|
[SO4]B:1595 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
11353 |
65.2 |
-8.1 |
0.942 |
5 |
0 |
0 |
0.157 |
| 18 |
23 |
|
[SO4]A:1596 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
11464 |
60.9 |
-9.0 |
0.580 |
5 |
0 |
0 |
0.173 |
| 19 |
24 |
|
[SO4]A:1596 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
9 |
6 |
11353 |
60.1 |
-8.9 |
0.598 |
5 |
0 |
0 |
0.170 |
| 20 |
25 |
|
[EDO]A:1594 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
11353 |
51.3 |
0.7 |
0.727 |
1 |
0 |
0 |
0.000 |
26 |
|
[EDO]B:1594 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
11464 |
48.6 |
0.7 |
0.741 |
1 |
0 |
0 |
0.000 |
| Average: |
49.9 |
0.7 |
0.734 |
1 |
0 |
0 |
0.000 |
| 21 |
27 |
|
[EDO]C:1567 |
3 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
1256 |
42.6 |
1.0 |
0.904 |
2 |
0 |
0 |
0.000 |
| 22 |
28 |
|
[EDO]D:1567 |
3 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
1247 |
42.4 |
1.0 |
0.912 |
2 |
0 |
0 |
0.000 |
| 23 |
29 |
|
B |
5 |
2 |
11353 |
◊ |
B |
y,x,-z |
6_555 |
5 |
2 |
11353 |
36.4 |
0.6 |
0.801 |
0 |
0 |
0 |
0.000 |
| 24 |
30 |
|
A |
3 |
1 |
11464 |
◊ |
A |
y,x,-z |
6_555 |
3 |
1 |
11464 |
29.3 |
0.7 |
0.846 |
0 |
0 |
0 |
0.000 |
| 25 |
31 |
|
[EDO]B:1594 |
3 |
1 |
183 |
f |
[EDO]B:1593 |
x,y,z |
1_555 |
2 |
1 |
183 |
20.0 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
32 |
|
[EDO]A:1594 |
3 |
1 |
184 |
f |
[EDO]A:1592 |
x,y,z |
1_555 |
2 |
1 |
183 |
18.9 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
| Average: |
19.5 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
| 26 |
33 |
|
[SO4]A:1596 |
3 |
1 |
185 |
f |
[EDO]B:1594 |
x,y,z |
1_555 |
3 |
1 |
183 |
16.3 |
-1.6 |
0.996 |
0 |
0 |
0 |
0.025 |
| 27 |
34 |
|
[SO4]A:1596 |
3 |
1 |
185 |
◊ |
[EDO]A:1594 |
x,y,z |
1_555 |
3 |
1 |
184 |
14.9 |
-1.6 |
0.996 |
0 |
0 |
0 |
0.024 |
| 28 |
35 |
|
[SO4]A:1593 |
1 |
1 |
184 |
f |
[EDO]C:1567 |
x,y,z |
1_555 |
2 |
1 |
183 |
14.4 |
-1.3 |
0.894 |
0 |
0 |
0 |
0.020 |
| 29 |
36 |
|
[SO4]B:1595 |
1 |
1 |
184 |
f |
[EDO]D:1567 |
x,y,z |
1_555 |
1 |
1 |
184 |
13.7 |
-1.3 |
0.894 |
0 |
0 |
0 |
0.019 |
| 30 |
37 |
|
[SO4]B:1595 |
1 |
1 |
184 |
◊ |
[SO4]B:1592 |
x,y,z |
1_555 |
3 |
1 |
184 |
12.4 |
-2.9 |
0.891 |
0 |
0 |
0 |
0.045 |
| 31 |
38 |
|
[SO4]B:1592 |
2 |
1 |
184 |
f |
[SO4]A:1593 |
x,y,z |
1_555 |
1 |
1 |
184 |
11.8 |
-2.8 |
0.876 |
0 |
0 |
0 |
0.043 |
| 32 |
39 |
|
[SO4]B:1595 |
1 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
11464 |
3.2 |
-0.3 |
0.849 |
0 |
0 |
0 |
0.005 |
| 33 |
40 |
|
[SO4]A:1593 |
1 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
11353 |
0.9 |
-0.1 |
0.820 |
0 |
0 |
0 |
0.002 |
|