| ## |
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 |
|
C |
95 |
24 |
4034 |
◊ |
B |
x,y,z |
1_555 |
109 |
34 |
11787 |
887.5 |
-4.9 |
0.359 |
18 |
4 |
0 |
0.271 |
2 |
|
D |
94 |
24 |
4061 |
◊ |
A |
x,y,z |
1_555 |
101 |
34 |
12002 |
872.0 |
-6.6 |
0.350 |
18 |
4 |
0 |
0.271 |
| Average: |
879.8 |
-5.8 |
0.355 |
18 |
4 |
0 |
0.271 |
| 2 |
3 |
|
B |
58 |
18 |
11787 |
◊ |
A |
x,y,z |
1_555 |
57 |
20 |
12002 |
510.7 |
3.8 |
0.813 |
10 |
3 |
0 |
0.000 |
| 3 |
4 |
|
A |
47 |
17 |
12002 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
41 |
11 |
4061 |
353.4 |
0.4 |
0.718 |
5 |
4 |
0 |
0.000 |
| 4 |
5 |
|
A |
35 |
12 |
12002 |
◊ |
B |
x,y,z-1 |
1_554 |
37 |
11 |
11787 |
340.6 |
1.9 |
0.778 |
5 |
3 |
0 |
0.000 |
| 5 |
6 |
|
C |
32 |
7 |
4034 |
◊ |
D |
-x-1,y-1/2,-z+1 |
2_446 |
36 |
9 |
4061 |
315.3 |
-4.8 |
0.220 |
0 |
0 |
0 |
0.000 |
| 6 |
7 |
|
A |
30 |
10 |
12002 |
◊ |
B |
-x-1,y-1/2,-z+1 |
2_446 |
33 |
10 |
11787 |
274.6 |
-0.1 |
0.600 |
5 |
0 |
0 |
0.000 |
| 7 |
8 |
|
B |
28 |
11 |
11787 |
◊ |
A |
-x-1,y-1/2,-z+1 |
2_446 |
26 |
10 |
12002 |
217.9 |
-3.4 |
0.165 |
2 |
0 |
0 |
0.000 |
| 8 |
9 |
|
A |
17 |
8 |
12002 |
◊ |
C |
-x-1,y-1/2,-z+1 |
2_446 |
18 |
6 |
4034 |
161.3 |
-0.9 |
0.497 |
1 |
0 |
0 |
0.000 |
| 9 |
10 |
|
B |
11 |
3 |
11787 |
x |
B |
-x,y-1/2,-z+2 |
2_547 |
15 |
4 |
11787 |
133.2 |
0.9 |
0.734 |
2 |
2 |
0 |
0.000 |
| 10 |
11 |
|
[NO3]A:1310 |
4 |
1 |
168 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
12002 |
95.2 |
1.4 |
0.553 |
4 |
0 |
0 |
0.007 |
| 11 |
12 |
|
[NO3]B:1310 |
4 |
1 |
167 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
11787 |
93.1 |
1.2 |
0.507 |
3 |
0 |
0 |
0.003 |
| 12 |
13 |
|
[NO3]B:1309 |
4 |
1 |
168 |
f |
B |
x,y,z |
1_555 |
21 |
12 |
11787 |
82.0 |
1.6 |
0.622 |
5 |
0 |
0 |
0.012 |
| 13 |
14 |
|
[NO3]A:1309 |
4 |
1 |
167 |
f |
A |
x,y,z |
1_555 |
19 |
12 |
12002 |
81.9 |
1.6 |
0.637 |
5 |
0 |
0 |
0.012 |
| 14 |
15 |
|
B |
11 |
4 |
11787 |
◊ |
D |
-x-1,y-1/2,-z+1 |
2_446 |
10 |
4 |
4061 |
72.5 |
-0.0 |
0.557 |
0 |
0 |
0 |
0.000 |
16 |
|
C |
5 |
4 |
4034 |
◊ |
A |
-x-1,y-1/2,-z+1 |
2_446 |
5 |
4 |
12002 |
20.9 |
-0.6 |
0.372 |
0 |
0 |
0 |
0.000 |
| Average: |
46.7 |
-0.3 |
0.465 |
0 |
0 |
0 |
0.000 |
| 15 |
17 |
|
[NO3]D:1054 |
4 |
1 |
168 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
4061 |
66.3 |
0.6 |
0.518 |
5 |
0 |
0 |
0.100 |
| 16 |
18 |
|
[NO3]C:1054 |
4 |
1 |
168 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
4034 |
66.0 |
1.1 |
0.622 |
4 |
0 |
0 |
0.100 |
| 17 |
19 |
|
A |
6 |
2 |
12002 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
8 |
2 |
12002 |
58.9 |
0.9 |
0.634 |
1 |
0 |
0 |
0.000 |
| 18 |
20 |
|
D |
7 |
3 |
4061 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
11787 |
50.9 |
-0.8 |
0.349 |
0 |
0 |
0 |
0.000 |
| 19 |
21 |
|
B |
4 |
2 |
11787 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
5 |
4 |
4061 |
49.9 |
-1.1 |
0.234 |
0 |
0 |
0 |
0.000 |
| 20 |
22 |
|
[NO3]B:1309 |
4 |
1 |
168 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
4034 |
38.1 |
0.4 |
0.782 |
1 |
0 |
0 |
0.001 |
| 21 |
23 |
|
[NO3]A:1309 |
4 |
1 |
167 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
4061 |
37.2 |
0.4 |
0.789 |
0 |
0 |
0 |
0.000 |
| 22 |
24 |
|
[NO3]C:1054 |
4 |
1 |
168 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
11787 |
35.2 |
0.2 |
0.505 |
1 |
0 |
0 |
0.005 |
| 23 |
25 |
|
[NO3]D:1054 |
4 |
1 |
168 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
12002 |
32.6 |
0.2 |
0.544 |
1 |
0 |
0 |
0.005 |
| 24 |
26 |
|
[ZN]B:501 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
6 |
11787 |
32.6 |
-23.7 |
0.000 |
0 |
0 |
0 |
0.442 |
27 |
|
[ZN]A:500 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
6 |
12002 |
32.5 |
-23.6 |
0.000 |
0 |
0 |
0 |
0.442 |
| Average: |
32.5 |
-23.6 |
0.000 |
0 |
0 |
0 |
0.442 |
| 25 |
28 |
|
[NO3]B:1310 |
3 |
1 |
167 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
4034 |
25.1 |
0.5 |
0.859 |
0 |
0 |
0 |
0.000 |
| 26 |
29 |
|
[NO3]A:1310 |
3 |
1 |
168 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
4061 |
24.3 |
0.5 |
0.860 |
0 |
0 |
0 |
0.000 |
| 27 |
30 |
|
[ZN]B:501 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
4034 |
24.1 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.201 |
31 |
|
[ZN]A:500 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
4061 |
24.1 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.201 |
| Average: |
24.1 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.201 |
| 28 |
32 |
|
C |
3 |
1 |
4034 |
◊ |
[NO3]D:1054 |
-x-1,y-1/2,-z+1 |
2_446 |
1 |
1 |
168 |
23.0 |
-0.1 |
0.264 |
0 |
0 |
0 |
0.000 |
| 29 |
33 |
|
[NO3]C:1054 |
1 |
1 |
168 |
◊ |
D |
-x-1,y-1/2,-z+1 |
2_446 |
4 |
1 |
4061 |
22.3 |
-0.1 |
0.303 |
0 |
0 |
0 |
0.000 |
| 30 |
34 |
|
B |
3 |
1 |
11787 |
◊ |
[NO3]D:1054 |
-x-1,y-1/2,-z+1 |
2_446 |
2 |
1 |
168 |
18.5 |
0.0 |
0.559 |
0 |
0 |
0 |
0.000 |
| 31 |
35 |
|
[NO3]C:1054 |
3 |
1 |
168 |
◊ |
A |
-x-1,y-1/2,-z+1 |
2_446 |
3 |
1 |
12002 |
17.8 |
0.0 |
0.599 |
0 |
0 |
0 |
0.000 |
| 32 |
36 |
|
[NO3]A:1309 |
3 |
1 |
167 |
f |
[ZN]A:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.0 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.083 |
| 33 |
37 |
|
[NO3]B:1309 |
4 |
1 |
168 |
f |
[ZN]B:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.1 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.081 |
| 34 |
38 |
|
A |
2 |
1 |
12002 |
◊ |
C |
x,y,z-1 |
1_554 |
1 |
1 |
4034 |
3.8 |
0.2 |
0.751 |
0 |
0 |
0 |
0.000 |
| 35 |
39 |
|
A |
1 |
1 |
12002 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
11787 |
1.4 |
-0.0 |
0.578 |
0 |
0 |
0 |
0.000 |
|