| ## |
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 |
371 |
97 |
13632 |
◊ |
C |
x,y,z |
1_555 |
372 |
93 |
14128 |
3719.8 |
-56.6 |
0.026 |
40 |
8 |
0 |
0.947 |
2 |
|
B |
377 |
97 |
14315 |
◊ |
A |
x,y,z |
1_555 |
379 |
99 |
14913 |
3667.5 |
-59.4 |
0.017 |
38 |
5 |
0 |
0.947 |
| Average: |
3693.7 |
-58.0 |
0.022 |
39 |
7 |
0 |
0.947 |
| 2 |
3 |
|
A |
94 |
23 |
14913 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
85 |
24 |
14315 |
845.3 |
-7.6 |
0.502 |
16 |
5 |
0 |
0.351 |
| 3 |
4 |
|
D |
55 |
19 |
13632 |
◊ |
A |
x,y,z |
1_555 |
62 |
20 |
14913 |
462.4 |
2.0 |
0.923 |
5 |
4 |
0 |
0.000 |
| 4 |
5 |
|
A |
60 |
17 |
14913 |
◊ |
D |
x,y,z-1 |
1_554 |
45 |
10 |
13632 |
458.5 |
-2.7 |
0.660 |
10 |
2 |
0 |
0.000 |
6 |
|
D |
26 |
10 |
13632 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
17 |
2 |
14913 |
192.9 |
-3.6 |
0.240 |
1 |
0 |
0 |
0.000 |
| Average: |
325.7 |
-3.1 |
0.450 |
6 |
1 |
0 |
0.000 |
| 5 |
7 |
|
C |
47 |
14 |
14128 |
◊ |
A |
x,y,z |
1_555 |
49 |
15 |
14913 |
442.7 |
-2.0 |
0.631 |
4 |
3 |
0 |
0.000 |
8 |
|
D |
50 |
16 |
13632 |
◊ |
B |
x,y,z |
1_555 |
48 |
14 |
14315 |
440.1 |
-2.2 |
0.696 |
5 |
1 |
0 |
0.000 |
| Average: |
441.4 |
-2.1 |
0.663 |
5 |
2 |
0 |
0.000 |
| 6 |
9 |
|
C |
30 |
13 |
14128 |
◊ |
B |
x,y,z |
1_555 |
34 |
15 |
14315 |
273.7 |
3.2 |
0.945 |
4 |
1 |
0 |
0.000 |
| 7 |
10 |
|
A |
35 |
7 |
14913 |
◊ |
C |
x,y,z-1 |
1_554 |
23 |
5 |
14128 |
268.4 |
0.8 |
0.783 |
2 |
4 |
0 |
0.000 |
11 |
|
D |
4 |
1 |
13632 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
3 |
1 |
14315 |
22.9 |
-0.6 |
0.400 |
0 |
0 |
0 |
0.000 |
| Average: |
145.6 |
0.1 |
0.591 |
1 |
2 |
0 |
0.000 |
| 8 |
12 |
|
A |
28 |
7 |
14913 |
x |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
27 |
8 |
14913 |
259.8 |
1.0 |
0.779 |
4 |
3 |
0 |
0.000 |
| 9 |
13 |
|
B |
26 |
4 |
14315 |
◊ |
C |
x,y,z-1 |
1_554 |
32 |
12 |
14128 |
247.6 |
-2.4 |
0.502 |
2 |
0 |
0 |
0.000 |
14 |
|
C |
18 |
3 |
14128 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
26 |
11 |
14315 |
214.0 |
-2.5 |
0.389 |
3 |
0 |
0 |
0.000 |
| Average: |
230.8 |
-2.5 |
0.445 |
3 |
0 |
0 |
0.000 |
| 10 |
15 |
|
B |
25 |
6 |
14315 |
◊ |
D |
x,y,z-1 |
1_554 |
24 |
6 |
13632 |
224.3 |
-1.6 |
0.612 |
5 |
0 |
0 |
0.000 |
16 |
|
C |
23 |
6 |
14128 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
25 |
6 |
14913 |
200.5 |
-1.3 |
0.565 |
4 |
0 |
0 |
0.000 |
| Average: |
212.4 |
-1.5 |
0.589 |
5 |
0 |
0 |
0.000 |
| 11 |
17 |
|
[ADE]A:303 |
10 |
1 |
274 |
◊ |
A |
x,y,z |
1_555 |
23 |
7 |
14913 |
147.9 |
2.4 |
0.285 |
0 |
0 |
0 |
0.000 |
| 12 |
18 |
|
[EDO]B:302 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
18 |
7 |
14315 |
106.9 |
1.8 |
0.420 |
2 |
0 |
0 |
0.000 |
| 13 |
19 |
|
[PO4]A:302 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
16 |
10 |
14913 |
102.8 |
-7.7 |
0.711 |
7 |
0 |
0 |
0.246 |
| 14 |
20 |
|
[EDO]C:302 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
18 |
6 |
14128 |
101.8 |
4.1 |
0.550 |
1 |
0 |
0 |
0.000 |
| 15 |
21 |
|
[EDO]C:303 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
17 |
7 |
14128 |
95.9 |
1.6 |
0.234 |
0 |
0 |
0 |
0.000 |
| 16 |
22 |
|
[EDO]C:304 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
14128 |
91.3 |
2.4 |
0.299 |
2 |
0 |
0 |
0.000 |
| 17 |
23 |
|
[ADE]A:303 |
10 |
1 |
274 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
14315 |
88.4 |
0.3 |
0.048 |
0 |
0 |
0 |
0.000 |
| 18 |
24 |
|
[EDO]D:302 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
15 |
7 |
13632 |
83.5 |
1.7 |
0.269 |
0 |
0 |
0 |
0.000 |
| 19 |
25 |
|
[EDO]B:302 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
14913 |
59.1 |
0.6 |
0.540 |
0 |
0 |
0 |
0.000 |
| 20 |
26 |
|
[EDO]C:303 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
13632 |
56.9 |
0.6 |
0.546 |
0 |
0 |
0 |
0.000 |
| 21 |
27 |
|
[EDO]D:302 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
14128 |
56.3 |
0.7 |
0.518 |
0 |
0 |
0 |
0.000 |
| 22 |
28 |
|
[MG]D:301 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
13632 |
50.4 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.464 |
29 |
|
[MG]B:301 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
14315 |
49.8 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.464 |
30 |
|
[MG]C:301 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
14128 |
49.7 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.464 |
31 |
|
[MG]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
14913 |
43.6 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.464 |
| Average: |
48.4 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.464 |
| 23 |
32 |
|
B |
6 |
2 |
14315 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
7 |
3 |
14913 |
46.7 |
-0.4 |
0.521 |
0 |
0 |
0 |
0.000 |
| 24 |
33 |
|
[EDO]C:304 |
2 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
13632 |
26.2 |
0.1 |
0.459 |
0 |
0 |
0 |
0.000 |
| 25 |
34 |
|
[PO4]A:302 |
2 |
1 |
188 |
f |
[MG]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.8 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.088 |
| 26 |
35 |
|
C |
2 |
1 |
14128 |
◊ |
B |
-x+1/2,y-1/2,-z+2 |
4_547 |
3 |
3 |
14315 |
14.8 |
0.7 |
0.866 |
0 |
0 |
0 |
0.000 |
| 27 |
36 |
|
[EDO]C:304 |
1 |
1 |
185 |
◊ |
[EDO]C:303 |
x,y,z |
1_555 |
1 |
1 |
183 |
14.4 |
1.0 |
0.707 |
0 |
0 |
0 |
0.000 |
| 28 |
37 |
|
[EDO]C:304 |
1 |
1 |
185 |
f |
[MG]C:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.0 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.005 |
|