## |
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 |
432 |
106 |
17801 |
◊ |
A |
x,y,z |
1_555 |
431 |
110 |
18549 |
4383.7 |
-71.9 |
0.024 |
34 |
23 |
0 |
1.000 |
2 |
|
D |
441 |
111 |
18405 |
◊ |
B |
x,y,z |
1_555 |
445 |
114 |
17583 |
4373.0 |
-74.2 |
0.019 |
34 |
23 |
0 |
1.000 |
Average: |
4378.3 |
-73.0 |
0.021 |
34 |
23 |
0 |
1.000 |
2 |
3 |
|
B |
79 |
25 |
17583 |
◊ |
A |
x,y,z-1 |
1_554 |
52 |
16 |
18549 |
600.3 |
-6.6 |
0.533 |
5 |
2 |
0 |
0.102 |
4 |
|
D |
50 |
17 |
18405 |
◊ |
C |
x,y,z-1 |
1_554 |
73 |
23 |
17801 |
582.8 |
-8.3 |
0.325 |
4 |
1 |
0 |
0.102 |
Average: |
591.5 |
-7.4 |
0.429 |
5 |
2 |
0 |
0.102 |
3 |
5 |
|
D |
69 |
21 |
18405 |
◊ |
A |
x,y,z-1 |
1_554 |
71 |
22 |
18549 |
580.6 |
-5.5 |
0.671 |
4 |
0 |
0 |
0.038 |
4 |
6 |
|
A |
45 |
19 |
18549 |
◊ |
B |
-x+1,y-1/2,-z+2 |
2_647 |
45 |
19 |
17583 |
402.8 |
-1.4 |
0.703 |
4 |
0 |
0 |
0.000 |
5 |
7 |
|
D |
42 |
12 |
18405 |
◊ |
B |
x-1,y,z |
1_455 |
40 |
14 |
17583 |
318.6 |
-3.7 |
0.565 |
2 |
0 |
0 |
0.000 |
6 |
8 |
|
C |
33 |
10 |
17801 |
x |
C |
x,y,z-1 |
1_554 |
31 |
13 |
17801 |
281.7 |
-2.2 |
0.633 |
0 |
0 |
0 |
0.000 |
9 |
|
B |
28 |
11 |
17583 |
x |
B |
x,y,z-1 |
1_554 |
28 |
7 |
17583 |
237.0 |
-3.2 |
0.466 |
2 |
0 |
0 |
0.000 |
Average: |
259.3 |
-2.7 |
0.549 |
1 |
0 |
0 |
0.000 |
7 |
10 |
|
[N7I]B:402 |
13 |
1 |
366 |
◊ |
B |
x,y,z |
1_555 |
35 |
17 |
17583 |
246.4 |
7.2 |
0.392 |
4 |
0 |
0 |
0.000 |
11 |
|
[N7I]A:402 |
13 |
1 |
364 |
◊ |
A |
x,y,z |
1_555 |
32 |
17 |
18549 |
239.3 |
7.1 |
0.404 |
4 |
0 |
0 |
0.000 |
12 |
|
[N7I]C:402 |
13 |
1 |
369 |
◊ |
C |
x,y,z |
1_555 |
30 |
17 |
17801 |
239.1 |
7.4 |
0.385 |
4 |
0 |
0 |
0.000 |
Average: |
241.6 |
7.2 |
0.394 |
4 |
0 |
0 |
0.000 |
8 |
13 |
|
[N7I]D:402 |
13 |
1 |
367 |
◊ |
D |
x,y,z |
1_555 |
29 |
17 |
18405 |
240.4 |
7.1 |
0.347 |
5 |
0 |
0 |
0.000 |
9 |
14 |
|
A |
24 |
9 |
18549 |
◊ |
C |
x-1,y,z-1 |
1_454 |
26 |
10 |
17801 |
238.7 |
-0.8 |
0.717 |
0 |
1 |
0 |
0.000 |
10 |
15 |
|
A |
24 |
9 |
18549 |
◊ |
C |
x-1,y,z |
1_455 |
29 |
12 |
17801 |
221.4 |
-1.4 |
0.674 |
0 |
0 |
0 |
0.000 |
11 |
16 |
|
C |
21 |
7 |
17801 |
◊ |
D |
-x+1,y-1/2,-z+3 |
2_648 |
25 |
7 |
18405 |
206.3 |
0.1 |
0.816 |
2 |
0 |
0 |
0.000 |
12 |
17 |
|
D |
19 |
6 |
18405 |
x |
D |
x,y,z-1 |
1_554 |
24 |
9 |
18405 |
189.7 |
-0.6 |
0.704 |
3 |
0 |
0 |
0.000 |
18 |
|
A |
21 |
7 |
18549 |
x |
A |
x,y,z-1 |
1_554 |
20 |
8 |
18549 |
166.1 |
0.3 |
0.743 |
3 |
0 |
0 |
0.000 |
Average: |
177.9 |
-0.2 |
0.724 |
3 |
0 |
0 |
0.000 |
13 |
19 |
|
C |
15 |
4 |
17801 |
◊ |
B |
-x+1,y-1/2,-z+2 |
2_647 |
23 |
6 |
17583 |
176.8 |
-2.8 |
0.343 |
0 |
0 |
0 |
0.000 |
14 |
20 |
|
B |
17 |
5 |
17583 |
◊ |
C |
x,y,z-1 |
1_554 |
16 |
5 |
17801 |
165.7 |
-4.2 |
0.151 |
0 |
0 |
0 |
0.022 |
15 |
21 |
|
D |
24 |
8 |
18405 |
◊ |
B |
x-1,y,z+1 |
1_456 |
15 |
5 |
17583 |
136.3 |
-0.8 |
0.699 |
0 |
2 |
0 |
0.000 |
16 |
22 |
|
C |
24 |
8 |
17801 |
◊ |
B |
-x+1,y-1/2,-z+3 |
2_648 |
11 |
4 |
17583 |
136.1 |
-1.1 |
0.476 |
0 |
0 |
0 |
0.000 |
17 |
23 |
|
[NO3]D:405 |
4 |
1 |
162 |
f |
D |
x,y,z |
1_555 |
15 |
8 |
18405 |
102.5 |
1.4 |
0.641 |
2 |
0 |
0 |
0.000 |
18 |
24 |
|
[NO3]A:403 |
4 |
1 |
164 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
18549 |
102.4 |
1.3 |
0.621 |
2 |
0 |
0 |
0.000 |
19 |
25 |
|
[NO3]C:405 |
4 |
1 |
165 |
f |
C |
x,y,z |
1_555 |
14 |
8 |
17801 |
101.4 |
1.8 |
0.673 |
4 |
0 |
0 |
0.000 |
20 |
26 |
|
[NO3]B:403 |
4 |
1 |
162 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
17583 |
99.9 |
1.6 |
0.653 |
4 |
0 |
0 |
0.010 |
21 |
27 |
|
[NO3]B:407 |
4 |
1 |
163 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
17583 |
97.3 |
1.8 |
0.688 |
3 |
0 |
0 |
0.000 |
22 |
28 |
|
[NO3]D:403 |
4 |
1 |
166 |
f |
D |
x,y,z |
1_555 |
16 |
8 |
18405 |
96.2 |
1.8 |
0.698 |
3 |
0 |
0 |
0.000 |
23 |
29 |
|
[NO3]C:404 |
4 |
1 |
164 |
◊ |
C |
x,y,z |
1_555 |
15 |
7 |
17801 |
95.2 |
1.8 |
0.696 |
4 |
0 |
0 |
0.000 |
24 |
30 |
|
[NO3]D:404 |
4 |
1 |
164 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
18405 |
94.8 |
1.5 |
0.630 |
1 |
0 |
0 |
0.000 |
25 |
31 |
|
[NO3]A:404 |
4 |
1 |
165 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
18549 |
94.7 |
1.4 |
0.618 |
1 |
0 |
0 |
0.000 |
26 |
32 |
|
[NO3]A:405 |
4 |
1 |
167 |
◊ |
A |
x,y,z |
1_555 |
15 |
7 |
18549 |
84.1 |
0.8 |
0.588 |
1 |
0 |
0 |
0.000 |
27 |
33 |
|
A |
11 |
4 |
18549 |
◊ |
D |
-x,y-1/2,-z+3 |
2_548 |
12 |
3 |
18405 |
81.4 |
-0.4 |
0.524 |
0 |
1 |
0 |
0.000 |
28 |
34 |
|
[NO3]B:405 |
4 |
1 |
165 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
17583 |
80.6 |
0.9 |
0.487 |
3 |
0 |
0 |
0.025 |
29 |
35 |
|
[NO3]C:406 |
4 |
1 |
163 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
17801 |
77.1 |
0.7 |
0.437 |
2 |
0 |
0 |
0.048 |
30 |
36 |
|
[NO3]B:408 |
4 |
1 |
165 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
17583 |
74.6 |
0.7 |
0.463 |
4 |
0 |
0 |
0.065 |
31 |
37 |
|
C |
10 |
3 |
17801 |
◊ |
[NO3]B:410 |
-x+1,y-1/2,-z+3 |
2_648 |
4 |
1 |
165 |
72.6 |
1.5 |
0.556 |
1 |
0 |
0 |
0.000 |
32 |
38 |
|
[NO3]B:406 |
4 |
1 |
164 |
◊ |
B |
x,y,z |
1_555 |
19 |
8 |
17583 |
72.3 |
0.6 |
0.481 |
0 |
0 |
0 |
0.000 |
33 |
39 |
|
[NO3]B:409 |
4 |
1 |
166 |
◊ |
B |
x,y,z |
1_555 |
12 |
6 |
17583 |
72.2 |
0.8 |
0.491 |
0 |
0 |
0 |
0.000 |
34 |
40 |
|
[NO3]C:403 |
4 |
1 |
162 |
◊ |
C |
x,y,z-1 |
1_554 |
7 |
3 |
17801 |
67.6 |
0.4 |
0.384 |
0 |
0 |
0 |
0.000 |
35 |
41 |
|
[NO3]B:404 |
4 |
1 |
163 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
17583 |
67.0 |
0.5 |
0.388 |
0 |
0 |
0 |
0.000 |
36 |
42 |
|
[NO3]C:403 |
4 |
1 |
162 |
f |
C |
x,y,z |
1_555 |
10 |
3 |
17801 |
63.0 |
0.2 |
0.407 |
1 |
0 |
0 |
0.054 |
37 |
43 |
|
[NO3]B:404 |
4 |
1 |
163 |
f |
B |
x,y,z-1 |
1_554 |
10 |
3 |
17583 |
62.8 |
0.3 |
0.415 |
1 |
0 |
0 |
0.010 |
38 |
44 |
|
A |
10 |
4 |
18549 |
f |
[NO3]B:406 |
-x+1,y-1/2,-z+2 |
2_647 |
4 |
1 |
164 |
58.7 |
0.8 |
0.495 |
1 |
0 |
0 |
0.000 |
39 |
45 |
|
D |
7 |
3 |
18405 |
◊ |
C |
x-1,y,z-1 |
1_454 |
8 |
3 |
17801 |
51.6 |
0.1 |
0.637 |
1 |
0 |
0 |
0.000 |
40 |
46 |
|
C |
6 |
4 |
17801 |
◊ |
A |
x,y,z-1 |
1_554 |
3 |
2 |
18549 |
45.6 |
1.3 |
0.867 |
1 |
0 |
0 |
0.000 |
47 |
|
D |
3 |
2 |
18405 |
◊ |
B |
x,y,z-1 |
1_554 |
6 |
5 |
17583 |
39.6 |
1.4 |
0.866 |
1 |
0 |
0 |
0.000 |
Average: |
42.6 |
1.3 |
0.866 |
1 |
0 |
0 |
0.000 |
41 |
48 |
|
B |
9 |
4 |
17583 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
18549 |
44.3 |
-0.1 |
0.525 |
0 |
0 |
0 |
0.000 |
49 |
|
D |
1 |
1 |
18405 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
17801 |
0.4 |
0.0 |
0.707 |
0 |
0 |
0 |
0.000 |
Average: |
22.4 |
-0.1 |
0.616 |
0 |
0 |
0 |
0.000 |
42 |
50 |
|
[NO3]A:405 |
3 |
1 |
167 |
f |
C |
x,y,z |
1_555 |
4 |
3 |
17801 |
42.3 |
-0.2 |
0.435 |
0 |
0 |
0 |
0.049 |
43 |
51 |
|
D |
8 |
3 |
18405 |
◊ |
[NO3]B:408 |
x-1,y,z+1 |
1_456 |
4 |
1 |
165 |
34.1 |
-0.0 |
0.701 |
0 |
0 |
0 |
0.000 |
44 |
52 |
|
[NO3]B:410 |
3 |
1 |
165 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
18405 |
32.3 |
0.4 |
0.836 |
0 |
0 |
0 |
0.000 |
45 |
53 |
|
[NO3]B:410 |
3 |
1 |
165 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
17583 |
28.5 |
0.5 |
0.889 |
1 |
0 |
0 |
0.000 |
46 |
54 |
|
A |
3 |
2 |
18549 |
f |
[NO3]B:409 |
-x+1,y-1/2,-z+2 |
2_647 |
3 |
1 |
166 |
28.1 |
0.7 |
0.950 |
0 |
0 |
0 |
0.000 |
47 |
55 |
|
A |
2 |
1 |
18549 |
◊ |
B |
-x,y-1/2,-z+2 |
2_547 |
1 |
1 |
17583 |
12.0 |
-0.1 |
0.414 |
0 |
0 |
0 |
0.000 |
48 |
56 |
|
[N7I]A:402 |
1 |
1 |
364 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
17801 |
10.8 |
0.2 |
0.299 |
0 |
0 |
0 |
0.000 |
57 |
|
[N7I]B:402 |
1 |
1 |
366 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
18405 |
7.2 |
-0.0 |
0.555 |
0 |
0 |
0 |
0.000 |
58 |
|
[N7I]C:402 |
1 |
1 |
369 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
18549 |
6.6 |
-0.0 |
0.573 |
0 |
0 |
0 |
0.000 |
Average: |
8.2 |
0.0 |
0.476 |
0 |
0 |
0 |
0.000 |
49 |
59 |
|
[N7I]D:402 |
2 |
1 |
367 |
f |
B |
x,y,z |
1_555 |
3 |
3 |
17583 |
6.2 |
0.1 |
0.751 |
0 |
0 |
0 |
0.000 |
50 |
60 |
|
D |
1 |
1 |
18405 |
f |
[NO3]C:404 |
x,y,z-1 |
1_554 |
1 |
1 |
164 |
1.4 |
-0.0 |
0.724 |
0 |
0 |
0 |
0.000 |
51 |
61 |
|
B |
1 |
1 |
17583 |
◊ |
C |
x-1,y,z-1 |
1_454 |
2 |
1 |
17801 |
0.9 |
0.0 |
0.730 |
0 |
0 |
0 |
0.000 |
52 |
62 |
|
[NO3]B:407 |
1 |
1 |
163 |
f |
A |
x,y,z-1 |
1_554 |
1 |
1 |
18549 |
0.8 |
-0.0 |
0.753 |
0 |
0 |
0 |
0.000 |
|