## |
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 |
|
B |
172 |
47 |
12395 |
◊ |
A |
x,y,z |
1_555 |
175 |
49 |
12383 |
1805.7 |
-21.8 |
0.144 |
24 |
12 |
0 |
1.000 |
2 |
|
D |
170 |
46 |
11969 |
◊ |
C |
x,y,z |
1_555 |
170 |
48 |
12251 |
1754.5 |
-19.4 |
0.253 |
23 |
11 |
0 |
1.000 |
Average: |
1780.1 |
-20.6 |
0.199 |
24 |
12 |
0 |
1.000 |
2 |
3 |
|
C |
181 |
47 |
12251 |
◊ |
A |
x,y,z |
1_555 |
182 |
49 |
12383 |
1737.3 |
-10.2 |
0.631 |
31 |
10 |
0 |
1.000 |
4 |
|
D |
139 |
37 |
11969 |
◊ |
B |
x,y,z |
1_555 |
140 |
36 |
12395 |
1315.4 |
-7.4 |
0.750 |
18 |
8 |
0 |
1.000 |
Average: |
1526.4 |
-8.8 |
0.690 |
25 |
9 |
0 |
1.000 |
3 |
5 |
|
C |
53 |
17 |
12251 |
◊ |
B |
-x+3/2,-y+1,z-1/2 |
2_664 |
49 |
16 |
12395 |
462.8 |
-5.1 |
0.425 |
2 |
0 |
0 |
0.000 |
4 |
6 |
|
D |
41 |
13 |
11969 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
41 |
12 |
12395 |
361.9 |
-0.5 |
0.787 |
5 |
2 |
0 |
0.000 |
5 |
7 |
|
C |
33 |
9 |
12251 |
◊ |
B |
x,y,z |
1_555 |
32 |
7 |
12395 |
303.4 |
-4.0 |
0.252 |
2 |
2 |
0 |
0.079 |
8 |
|
D |
29 |
6 |
11969 |
◊ |
A |
x,y,z |
1_555 |
29 |
8 |
12383 |
258.1 |
-2.7 |
0.341 |
1 |
2 |
0 |
0.079 |
Average: |
280.7 |
-3.4 |
0.297 |
2 |
2 |
0 |
0.079 |
6 |
9 |
|
A |
29 |
7 |
12383 |
◊ |
C |
x-1/2,-y+3/2,-z |
4_465 |
37 |
9 |
12251 |
243.7 |
-1.0 |
0.665 |
3 |
1 |
0 |
0.000 |
7 |
10 |
|
[A5P]A:282 |
14 |
1 |
365 |
f |
A |
x,y,z |
1_555 |
33 |
17 |
12383 |
212.8 |
-2.5 |
0.599 |
13 |
0 |
0 |
0.447 |
11 |
|
[A5P]C:282 |
14 |
1 |
370 |
f |
C |
x,y,z |
1_555 |
34 |
17 |
12251 |
196.0 |
-1.8 |
0.625 |
10 |
0 |
0 |
0.447 |
Average: |
204.4 |
-2.1 |
0.612 |
12 |
0 |
0 |
0.447 |
8 |
12 |
|
[EDO]B:284 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
21 |
10 |
12395 |
111.3 |
4.0 |
0.565 |
2 |
0 |
0 |
0.000 |
13 |
|
[EDO]D:283 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
20 |
10 |
11969 |
110.9 |
4.0 |
0.575 |
2 |
0 |
0 |
0.000 |
Average: |
111.1 |
4.0 |
0.570 |
2 |
0 |
0 |
0.000 |
9 |
14 |
|
[EDO]A:286 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
23 |
8 |
12383 |
105.3 |
3.2 |
0.486 |
0 |
0 |
0 |
0.000 |
10 |
15 |
|
[EDO]B:285 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
16 |
8 |
12395 |
105.1 |
3.4 |
0.468 |
1 |
0 |
0 |
0.000 |
11 |
16 |
|
[NO3]A:285 |
4 |
1 |
164 |
◊ |
A |
x,y,z |
1_555 |
18 |
8 |
12383 |
103.8 |
1.5 |
0.618 |
1 |
0 |
0 |
0.000 |
12 |
17 |
|
[NO3]C:285 |
4 |
1 |
165 |
◊ |
C |
x,y,z |
1_555 |
18 |
7 |
12251 |
103.4 |
1.5 |
0.627 |
0 |
0 |
0 |
0.000 |
13 |
18 |
|
[NO3]C:286 |
4 |
1 |
165 |
f |
C |
x,y,z |
1_555 |
26 |
9 |
12251 |
94.0 |
1.2 |
0.625 |
1 |
0 |
0 |
0.000 |
14 |
19 |
|
[NO3]D:282 |
4 |
1 |
165 |
f |
D |
x,y,z |
1_555 |
13 |
8 |
11969 |
85.0 |
2.2 |
0.719 |
4 |
0 |
0 |
0.000 |
15 |
20 |
|
[EDO]C:287 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
17 |
10 |
12251 |
84.8 |
2.0 |
0.524 |
1 |
0 |
0 |
0.000 |
16 |
21 |
|
[NO3]B:283 |
4 |
1 |
165 |
f |
B |
x,y,z |
1_555 |
13 |
8 |
12395 |
84.8 |
2.2 |
0.718 |
6 |
0 |
0 |
0.051 |
22 |
|
[NO3]C:283 |
4 |
1 |
165 |
f |
C |
x,y,z |
1_555 |
15 |
10 |
12251 |
70.7 |
1.8 |
0.711 |
6 |
0 |
0 |
0.051 |
Average: |
77.8 |
2.0 |
0.714 |
6 |
0 |
0 |
0.051 |
17 |
23 |
|
[NO3]A:284 |
4 |
1 |
164 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
12383 |
81.9 |
1.8 |
0.698 |
4 |
0 |
0 |
0.000 |
18 |
24 |
|
[NO3]C:284 |
4 |
1 |
166 |
f |
C |
x,y,z |
1_555 |
16 |
10 |
12251 |
74.2 |
1.5 |
0.708 |
4 |
0 |
0 |
0.008 |
19 |
25 |
|
[NO3]A:283 |
4 |
1 |
165 |
f |
A |
x,y,z |
1_555 |
16 |
10 |
12383 |
72.7 |
1.8 |
0.695 |
6 |
0 |
0 |
0.026 |
20 |
26 |
|
[NO3]B:282 |
4 |
1 |
165 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
12395 |
49.9 |
0.5 |
0.463 |
1 |
0 |
0 |
0.000 |
21 |
27 |
|
[NO3]B:282 |
4 |
1 |
165 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
11969 |
46.6 |
0.5 |
0.467 |
1 |
0 |
0 |
0.000 |
22 |
28 |
|
D |
5 |
1 |
11969 |
◊ |
B |
-x+3/2,-y+1,z-1/2 |
2_664 |
6 |
1 |
12395 |
45.6 |
0.2 |
0.648 |
0 |
0 |
0 |
0.000 |
23 |
29 |
|
C |
6 |
5 |
12251 |
◊ |
A |
x-1/2,-y+3/2,-z |
4_465 |
8 |
3 |
12383 |
43.7 |
-0.2 |
0.607 |
0 |
0 |
0 |
0.000 |
24 |
30 |
|
D |
8 |
3 |
11969 |
x |
D |
x-1/2,-y+1/2,-z |
4_455 |
5 |
2 |
11969 |
42.7 |
-0.3 |
0.599 |
0 |
0 |
0 |
0.000 |
25 |
31 |
|
[A5P]A:282 |
7 |
1 |
365 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
12251 |
39.0 |
0.1 |
0.755 |
1 |
0 |
0 |
0.022 |
32 |
|
[A5P]C:282 |
7 |
1 |
370 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
12383 |
32.6 |
0.1 |
0.738 |
1 |
0 |
0 |
0.022 |
Average: |
35.8 |
0.1 |
0.746 |
1 |
0 |
0 |
0.022 |
26 |
33 |
|
[EDO]C:287 |
4 |
1 |
184 |
f |
[A5P]C:282 |
x,y,z |
1_555 |
8 |
1 |
370 |
37.7 |
0.9 |
0.836 |
2 |
0 |
0 |
0.000 |
27 |
34 |
|
[NO3]B:282 |
3 |
1 |
165 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
12251 |
34.2 |
0.1 |
0.670 |
1 |
0 |
0 |
0.012 |
28 |
35 |
|
[EDO]D:283 |
4 |
1 |
183 |
f |
[NO3]D:282 |
x,y,z |
1_555 |
3 |
1 |
165 |
31.7 |
1.1 |
1.000 |
0 |
0 |
0 |
0.000 |
29 |
36 |
|
[NO3]B:282 |
3 |
1 |
165 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
12383 |
29.2 |
0.1 |
0.677 |
0 |
0 |
0 |
0.000 |
30 |
37 |
|
[EDO]B:284 |
4 |
1 |
183 |
f |
[NO3]B:283 |
x,y,z |
1_555 |
3 |
1 |
165 |
29.1 |
1.0 |
1.000 |
0 |
0 |
0 |
0.000 |
31 |
38 |
|
[NO3]C:284 |
3 |
1 |
166 |
f |
[A5P]C:282 |
x,y,z |
1_555 |
4 |
1 |
370 |
28.3 |
0.7 |
0.853 |
2 |
0 |
0 |
0.006 |
32 |
39 |
|
[EDO]C:287 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
12383 |
28.2 |
1.4 |
0.976 |
0 |
0 |
0 |
0.000 |
33 |
40 |
|
[NO3]C:283 |
3 |
1 |
165 |
f |
[A5P]C:282 |
x,y,z |
1_555 |
2 |
1 |
370 |
27.9 |
1.0 |
0.909 |
1 |
0 |
0 |
0.000 |
34 |
41 |
|
[NO3]A:283 |
3 |
1 |
165 |
f |
[A5P]A:282 |
x,y,z |
1_555 |
2 |
1 |
365 |
27.6 |
1.2 |
0.953 |
0 |
0 |
0 |
0.000 |
35 |
42 |
|
[NO3]A:284 |
3 |
1 |
164 |
f |
[A5P]A:282 |
x,y,z |
1_555 |
3 |
1 |
365 |
26.9 |
0.9 |
0.837 |
1 |
0 |
0 |
0.000 |
36 |
43 |
|
[NO3]A:284 |
4 |
1 |
164 |
f |
[NO3]A:283 |
x,y,z |
1_555 |
2 |
1 |
165 |
22.4 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
37 |
44 |
|
[NO3]C:284 |
4 |
1 |
166 |
f |
[NO3]C:283 |
x,y,z |
1_555 |
1 |
1 |
165 |
20.7 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
38 |
45 |
|
[EDO]C:287 |
3 |
1 |
184 |
f |
[NO3]C:286 |
x,y,z |
1_555 |
3 |
1 |
165 |
16.9 |
0.4 |
1.000 |
1 |
0 |
0 |
0.000 |
39 |
46 |
|
[EDO]A:286 |
2 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
2 |
1 |
12251 |
15.2 |
0.4 |
0.900 |
0 |
0 |
0 |
0.000 |
40 |
47 |
|
[EDO]C:287 |
2 |
1 |
184 |
f |
[NO3]C:284 |
x,y,z |
1_555 |
1 |
1 |
166 |
14.2 |
0.4 |
0.500 |
1 |
0 |
0 |
0.003 |
41 |
48 |
|
[NO3]C:286 |
1 |
1 |
165 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
12383 |
9.6 |
0.2 |
0.868 |
0 |
0 |
0 |
0.000 |
42 |
49 |
|
[EDO]B:285 |
2 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
12383 |
4.8 |
0.1 |
0.806 |
0 |
0 |
0 |
0.000 |
43 |
50 |
|
[NO3]A:285 |
1 |
1 |
164 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
12395 |
2.0 |
0.1 |
0.831 |
0 |
0 |
0 |
0.000 |
44 |
51 |
|
C |
1 |
1 |
12251 |
x |
C |
x-1/2,-y+3/2,-z |
4_465 |
1 |
1 |
12251 |
1.9 |
-0.1 |
0.461 |
0 |
0 |
0 |
0.000 |
45 |
52 |
|
[NO3]C:285 |
1 |
1 |
165 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
11969 |
0.1 |
0.0 |
0.811 |
0 |
0 |
0 |
0.000 |
|