| ## |
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 |
|
F |
277 |
71 |
10374 |
◊ |
B |
x,y,z |
1_555 |
293 |
71 |
23668 |
2666.5 |
-32.9 |
0.054 |
45 |
4 |
0 |
1.000 |
2 |
|
H |
285 |
75 |
9992 |
◊ |
A |
x,y,z |
1_555 |
291 |
73 |
23131 |
2660.7 |
-33.1 |
0.074 |
41 |
5 |
0 |
1.000 |
| Average: |
2663.6 |
-33.0 |
0.064 |
43 |
5 |
0 |
1.000 |
| 2 |
3 |
|
I |
100 |
16 |
3733 |
◊ |
H |
x,y,z |
1_555 |
134 |
38 |
9992 |
1018.9 |
-11.5 |
0.461 |
16 |
2 |
0 |
1.000 |
4 |
|
G |
96 |
15 |
3632 |
◊ |
F |
x,y,z |
1_555 |
125 |
35 |
10374 |
954.7 |
-11.9 |
0.331 |
15 |
2 |
0 |
1.000 |
| Average: |
986.8 |
-11.7 |
0.396 |
16 |
2 |
0 |
1.000 |
| 3 |
5 |
|
I |
85 |
18 |
3733 |
◊ |
A |
x,y,z |
1_555 |
102 |
26 |
23131 |
897.4 |
-3.6 |
0.760 |
15 |
5 |
0 |
1.000 |
6 |
|
G |
85 |
18 |
3632 |
◊ |
B |
x,y,z |
1_555 |
100 |
24 |
23668 |
874.6 |
-4.2 |
0.657 |
13 |
5 |
0 |
1.000 |
| Average: |
886.0 |
-3.9 |
0.708 |
14 |
5 |
0 |
1.000 |
| 4 |
7 |
|
H |
70 |
17 |
9992 |
◊ |
B |
-x+2,y-1/2,-z+3 |
2_748 |
78 |
29 |
23668 |
665.4 |
2.5 |
0.863 |
8 |
6 |
0 |
0.000 |
8 |
|
A |
71 |
25 |
23131 |
◊ |
F |
-x+1,y-1/2,-z+3 |
2_648 |
64 |
18 |
10374 |
633.6 |
1.0 |
0.710 |
8 |
4 |
0 |
0.000 |
| Average: |
649.5 |
1.8 |
0.786 |
8 |
5 |
0 |
0.000 |
| 5 |
9 |
|
B |
41 |
12 |
23668 |
◊ |
A |
x-1,y,z+1 |
1_456 |
46 |
12 |
23131 |
435.5 |
-2.7 |
0.201 |
8 |
2 |
0 |
0.000 |
10 |
|
B |
46 |
12 |
23668 |
◊ |
A |
x-1,y,z |
1_455 |
32 |
8 |
23131 |
378.5 |
-2.8 |
0.178 |
6 |
1 |
0 |
0.000 |
| Average: |
407.0 |
-2.7 |
0.190 |
7 |
2 |
0 |
0.000 |
| 6 |
11 |
|
A |
45 |
14 |
23131 |
◊ |
B |
-x+1,y-1/2,-z+2 |
2_647 |
47 |
16 |
23668 |
423.0 |
-4.7 |
0.271 |
3 |
3 |
0 |
0.000 |
12 |
|
A |
48 |
15 |
23131 |
◊ |
B |
-x+2,y-1/2,-z+2 |
2_747 |
43 |
13 |
23668 |
378.3 |
-4.1 |
0.330 |
2 |
2 |
0 |
0.000 |
| Average: |
400.6 |
-4.4 |
0.300 |
3 |
3 |
0 |
0.000 |
| 7 |
13 |
|
A |
49 |
17 |
23131 |
◊ |
F |
-x+1,y-1/2,-z+2 |
2_647 |
35 |
13 |
10374 |
397.7 |
1.7 |
0.782 |
2 |
3 |
0 |
0.000 |
14 |
|
H |
35 |
12 |
9992 |
◊ |
B |
-x+2,y-1/2,-z+2 |
2_747 |
31 |
14 |
23668 |
260.6 |
2.0 |
0.827 |
4 |
3 |
0 |
0.000 |
| Average: |
329.1 |
1.9 |
0.804 |
3 |
3 |
0 |
0.000 |
| 8 |
15 |
|
I |
41 |
11 |
3733 |
◊ |
F |
-x+1,y-1/2,-z+3 |
2_648 |
44 |
11 |
10374 |
373.3 |
-0.5 |
0.759 |
8 |
2 |
0 |
0.000 |
16 |
|
H |
42 |
10 |
9992 |
◊ |
G |
-x+2,y-1/2,-z+3 |
2_748 |
40 |
11 |
3632 |
371.4 |
1.4 |
0.802 |
10 |
3 |
0 |
0.000 |
| Average: |
372.3 |
0.5 |
0.780 |
9 |
3 |
0 |
0.000 |
| 9 |
17 |
|
B |
52 |
13 |
23668 |
x |
B |
-x+1,y-1/2,-z+3 |
2_648 |
30 |
8 |
23668 |
350.3 |
-4.5 |
0.182 |
3 |
2 |
0 |
0.000 |
18 |
|
A |
30 |
7 |
23131 |
x |
A |
-x+2,y-1/2,-z+2 |
2_747 |
46 |
11 |
23131 |
326.6 |
-4.1 |
0.235 |
3 |
2 |
0 |
0.000 |
| Average: |
338.4 |
-4.3 |
0.208 |
3 |
2 |
0 |
0.000 |
| 10 |
19 |
|
B |
37 |
10 |
23668 |
x |
B |
x-1,y,z |
1_455 |
33 |
9 |
23668 |
309.5 |
3.1 |
0.840 |
3 |
2 |
0 |
0.000 |
20 |
|
A |
20 |
7 |
23131 |
x |
A |
x-1,y,z |
1_455 |
26 |
9 |
23131 |
151.7 |
1.3 |
0.745 |
1 |
3 |
0 |
0.000 |
| Average: |
230.6 |
2.2 |
0.793 |
2 |
3 |
0 |
0.000 |
| 11 |
21 |
|
A |
33 |
12 |
23131 |
◊ |
B |
x,y,z-1 |
1_554 |
38 |
13 |
23668 |
309.4 |
-0.7 |
0.539 |
3 |
2 |
0 |
0.000 |
22 |
|
B |
21 |
10 |
23668 |
◊ |
A |
x,y,z |
1_555 |
25 |
11 |
23131 |
153.8 |
2.1 |
0.836 |
1 |
0 |
0 |
0.000 |
| Average: |
231.6 |
0.7 |
0.688 |
2 |
1 |
0 |
0.000 |
| 12 |
23 |
|
I |
31 |
7 |
3733 |
◊ |
B |
-x+2,y-1/2,-z+3 |
2_748 |
32 |
10 |
23668 |
281.1 |
-3.2 |
0.481 |
1 |
1 |
0 |
0.000 |
24 |
|
A |
25 |
8 |
23131 |
◊ |
G |
-x+1,y-1/2,-z+3 |
2_648 |
31 |
7 |
3632 |
269.8 |
-3.1 |
0.430 |
2 |
1 |
0 |
0.000 |
| Average: |
275.5 |
-3.1 |
0.456 |
2 |
1 |
0 |
0.000 |
| 13 |
25 |
|
H |
22 |
8 |
9992 |
◊ |
A |
-x+2,y-1/2,-z+2 |
2_747 |
29 |
11 |
23131 |
206.9 |
-2.3 |
0.332 |
2 |
1 |
0 |
0.000 |
26 |
|
B |
22 |
11 |
23668 |
◊ |
F |
-x+1,y-1/2,-z+3 |
2_648 |
15 |
4 |
10374 |
147.8 |
-2.4 |
0.253 |
1 |
0 |
0 |
0.000 |
| Average: |
177.3 |
-2.3 |
0.292 |
2 |
1 |
0 |
0.000 |
| 14 |
27 |
|
I |
18 |
6 |
3733 |
◊ |
B |
-x+1,y-1/2,-z+3 |
2_648 |
20 |
7 |
23668 |
164.9 |
1.0 |
0.783 |
2 |
3 |
0 |
0.000 |
28 |
|
A |
19 |
7 |
23131 |
◊ |
G |
-x+2,y-1/2,-z+3 |
2_748 |
20 |
7 |
3632 |
154.4 |
1.0 |
0.750 |
5 |
4 |
0 |
0.000 |
| Average: |
159.6 |
1.0 |
0.767 |
4 |
4 |
0 |
0.000 |
| 15 |
29 |
|
[EDO]B:402 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
23668 |
120.6 |
4.1 |
0.526 |
3 |
0 |
0 |
0.000 |
| 16 |
30 |
|
F |
15 |
6 |
10374 |
◊ |
B |
x-1,y,z |
1_455 |
13 |
4 |
23668 |
105.8 |
0.9 |
0.755 |
3 |
5 |
0 |
0.000 |
31 |
|
A |
7 |
3 |
23131 |
◊ |
H |
x-1,y,z |
1_455 |
9 |
4 |
9992 |
52.4 |
1.0 |
0.800 |
2 |
2 |
0 |
0.000 |
| Average: |
79.1 |
0.9 |
0.778 |
3 |
4 |
0 |
0.000 |
| 17 |
32 |
|
[NO3]A:401 |
4 |
1 |
162 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
23131 |
102.5 |
1.6 |
0.620 |
1 |
0 |
0 |
0.000 |
| 18 |
33 |
|
[NO3]B:401 |
4 |
1 |
162 |
◊ |
B |
x,y,z |
1_555 |
16 |
5 |
23668 |
95.3 |
1.5 |
0.606 |
1 |
0 |
0 |
0.000 |
| 19 |
34 |
|
[NO3]A:402 |
4 |
1 |
162 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
23131 |
85.0 |
2.1 |
0.554 |
1 |
0 |
0 |
0.000 |
| 20 |
35 |
|
[NO3]A:403 |
4 |
1 |
161 |
◊ |
A |
x,y,z |
1_555 |
18 |
8 |
23131 |
83.6 |
1.3 |
0.621 |
1 |
0 |
0 |
0.000 |
| 21 |
36 |
|
[NO3]F:201 |
4 |
1 |
161 |
f |
F |
x,y,z |
1_555 |
13 |
6 |
10374 |
82.2 |
1.3 |
0.500 |
1 |
0 |
0 |
0.000 |
| 22 |
37 |
|
[NO3]H:201 |
4 |
1 |
162 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
23131 |
70.4 |
0.6 |
0.446 |
0 |
0 |
0 |
0.000 |
| 23 |
38 |
|
A |
7 |
3 |
23131 |
◊ |
B |
-x+1,y-1/2,-z+3 |
2_648 |
5 |
3 |
23668 |
56.5 |
1.2 |
0.846 |
1 |
3 |
0 |
0.000 |
39 |
|
A |
5 |
3 |
23131 |
◊ |
B |
-x+2,y-1/2,-z+3 |
2_748 |
8 |
3 |
23668 |
25.6 |
0.5 |
0.745 |
0 |
0 |
0 |
0.000 |
| Average: |
41.1 |
0.9 |
0.796 |
1 |
2 |
0 |
0.000 |
| 24 |
40 |
|
[NO3]A:403 |
4 |
1 |
161 |
f |
H |
x,y,z |
1_555 |
7 |
2 |
9992 |
43.3 |
0.4 |
0.745 |
1 |
0 |
0 |
0.100 |
| 25 |
41 |
|
[NO3]H:201 |
3 |
1 |
162 |
◊ |
H |
x,y,z |
1_555 |
7 |
4 |
9992 |
42.9 |
1.1 |
0.907 |
1 |
0 |
0 |
0.000 |
| 26 |
42 |
|
[NO3]B:401 |
3 |
1 |
162 |
f |
A |
x-1,y,z |
1_455 |
4 |
2 |
23131 |
28.0 |
0.5 |
0.847 |
1 |
0 |
0 |
0.000 |
| 27 |
43 |
|
[NO3]H:201 |
3 |
1 |
162 |
f |
I |
x,y,z |
1_555 |
4 |
2 |
3733 |
26.9 |
0.0 |
0.731 |
0 |
0 |
0 |
0.000 |
| 28 |
44 |
|
H |
2 |
1 |
9992 |
◊ |
F |
-x+2,y-1/2,-z+3 |
2_748 |
2 |
1 |
10374 |
24.7 |
0.3 |
0.752 |
0 |
1 |
0 |
0.000 |
45 |
|
H |
2 |
1 |
9992 |
◊ |
F |
-x+1,y-1/2,-z+3 |
2_648 |
3 |
2 |
10374 |
24.2 |
0.3 |
0.743 |
0 |
1 |
0 |
0.000 |
| Average: |
24.4 |
0.3 |
0.748 |
0 |
1 |
0 |
0.000 |
| 29 |
46 |
|
H |
2 |
1 |
9992 |
◊ |
B |
-x+1,y-1/2,-z+3 |
2_648 |
2 |
1 |
23668 |
24.4 |
1.2 |
0.932 |
0 |
0 |
0 |
0.000 |
47 |
|
A |
2 |
1 |
23131 |
◊ |
F |
-x+2,y-1/2,-z+3 |
2_748 |
2 |
1 |
10374 |
13.8 |
0.8 |
0.877 |
0 |
0 |
0 |
0.000 |
| Average: |
19.1 |
1.0 |
0.904 |
0 |
0 |
0 |
0.000 |
| 30 |
48 |
|
I |
2 |
2 |
3733 |
◊ |
G |
-x+1,y-1/2,-z+3 |
2_648 |
3 |
1 |
3632 |
18.1 |
0.4 |
0.779 |
0 |
0 |
0 |
0.000 |
49 |
|
I |
2 |
1 |
3733 |
◊ |
G |
-x+2,y-1/2,-z+3 |
2_748 |
2 |
1 |
3632 |
14.2 |
0.3 |
0.764 |
0 |
0 |
0 |
0.000 |
| Average: |
16.2 |
0.4 |
0.771 |
0 |
0 |
0 |
0.000 |
| 31 |
50 |
|
B |
1 |
1 |
23668 |
f |
[EDO]B:402 |
-x+1,y-1/2,-z+3 |
2_648 |
1 |
1 |
184 |
3.9 |
0.2 |
0.916 |
0 |
0 |
0 |
0.000 |
|