## |
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 |
11424 |
◊ |
A |
x,y,z |
1_555 |
169 |
47 |
11422 |
1691.1 |
-22.0 |
0.158 |
10 |
0 |
0 |
1.000 |
2 |
2 |
|
B |
160 |
40 |
11424 |
◊ |
A |
-x,-y,z |
4_555 |
160 |
40 |
11422 |
1514.1 |
-20.9 |
0.171 |
13 |
10 |
0 |
0.914 |
3 |
3 |
|
B |
41 |
13 |
11424 |
x |
B |
-y,x-y,z-1/3 |
2_554 |
37 |
12 |
11424 |
360.3 |
-3.2 |
0.412 |
3 |
0 |
0 |
0.000 |
4 |
|
A |
36 |
12 |
11422 |
x |
A |
-y,x-y,z-1/3 |
2_554 |
42 |
13 |
11422 |
354.8 |
-3.2 |
0.401 |
3 |
0 |
0 |
0.000 |
Average: |
357.6 |
-3.2 |
0.406 |
3 |
0 |
0 |
0.000 |
4 |
5 |
|
B |
36 |
11 |
11424 |
◊ |
B |
-x,-y,z |
4_555 |
36 |
11 |
11424 |
311.4 |
1.2 |
0.835 |
2 |
0 |
0 |
0.000 |
6 |
|
A |
36 |
11 |
11422 |
◊ |
A |
-x,-y,z |
4_555 |
36 |
11 |
11422 |
309.6 |
1.3 |
0.837 |
2 |
0 |
0 |
0.000 |
Average: |
310.5 |
1.3 |
0.836 |
2 |
0 |
0 |
0.000 |
5 |
7 |
|
B |
31 |
9 |
11424 |
◊ |
A |
-x,-y-1,z |
4_545 |
23 |
7 |
11422 |
247.2 |
-0.9 |
0.594 |
1 |
0 |
0 |
0.000 |
8 |
|
B |
23 |
7 |
11424 |
◊ |
A |
-x+1,-y+1,z |
4_665 |
31 |
9 |
11422 |
246.2 |
-0.9 |
0.596 |
1 |
0 |
0 |
0.000 |
Average: |
246.7 |
-0.9 |
0.595 |
1 |
0 |
0 |
0.000 |
6 |
9 |
|
B |
21 |
6 |
11424 |
◊ |
A |
x-y,x-1,z+1/3 |
6_545 |
22 |
6 |
11422 |
240.1 |
-0.5 |
0.665 |
4 |
2 |
0 |
0.000 |
7 |
10 |
|
B |
18 |
4 |
11424 |
◊ |
B |
-x,-y-1,z |
4_545 |
18 |
4 |
11424 |
160.3 |
-1.9 |
0.454 |
0 |
0 |
0 |
0.000 |
11 |
|
A |
18 |
4 |
11422 |
◊ |
A |
-x+1,-y+1,z |
4_665 |
18 |
4 |
11422 |
159.2 |
-1.9 |
0.457 |
0 |
0 |
0 |
0.000 |
Average: |
159.7 |
-1.9 |
0.456 |
0 |
0 |
0 |
0.000 |
8 |
12 |
|
B |
11 |
3 |
11424 |
◊ |
A |
x-1,y-1,z |
1_445 |
13 |
6 |
11422 |
133.4 |
-0.1 |
0.655 |
2 |
3 |
0 |
0.000 |
13 |
|
B |
13 |
6 |
11424 |
◊ |
A |
x,y-1,z |
1_545 |
11 |
3 |
11422 |
131.9 |
-0.1 |
0.657 |
3 |
3 |
0 |
0.000 |
Average: |
132.6 |
-0.1 |
0.656 |
3 |
3 |
0 |
0.000 |
9 |
14 |
|
[NO3]B:409 |
4 |
1 |
159 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
11424 |
88.1 |
1.8 |
0.656 |
3 |
0 |
0 |
0.000 |
10 |
15 |
|
[NO3]A:404 |
4 |
1 |
159 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
11422 |
87.6 |
1.6 |
0.652 |
2 |
0 |
0 |
0.000 |
11 |
16 |
|
[NO3]B:411 |
4 |
1 |
159 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
11424 |
86.9 |
1.6 |
0.652 |
2 |
0 |
0 |
0.000 |
12 |
17 |
|
[NO3]A:402 |
4 |
1 |
158 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
11422 |
82.6 |
1.6 |
0.652 |
2 |
0 |
0 |
0.000 |
13 |
18 |
|
[NO3]B:414 |
4 |
1 |
159 |
◊ |
B |
x,y,z |
1_555 |
12 |
7 |
11424 |
82.2 |
1.6 |
0.660 |
3 |
0 |
0 |
0.000 |
19 |
|
[NO3]A:407 |
4 |
1 |
157 |
◊ |
A |
x,y,z |
1_555 |
12 |
7 |
11422 |
81.2 |
1.6 |
0.661 |
3 |
0 |
0 |
0.000 |
Average: |
81.7 |
1.6 |
0.660 |
3 |
0 |
0 |
0.000 |
14 |
20 |
|
[NO3]A:405 |
4 |
1 |
159 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
11422 |
80.3 |
0.4 |
0.411 |
1 |
0 |
0 |
0.000 |
15 |
21 |
|
[NO3]B:412 |
4 |
1 |
160 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
11424 |
78.2 |
0.4 |
0.404 |
2 |
0 |
0 |
0.032 |
16 |
22 |
|
[NO3]A:406 |
4 |
1 |
159 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
11422 |
77.8 |
0.4 |
0.405 |
2 |
0 |
0 |
0.032 |
17 |
23 |
|
[NO3]B:413 |
4 |
1 |
159 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
11424 |
76.7 |
0.3 |
0.390 |
1 |
0 |
0 |
0.012 |
18 |
24 |
|
[NO3]B:422 |
4 |
1 |
159 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
11422 |
70.3 |
0.1 |
0.392 |
0 |
0 |
0 |
0.000 |
19 |
25 |
|
[NO3]B:417 |
4 |
1 |
158 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
11424 |
68.5 |
0.7 |
0.445 |
1 |
0 |
0 |
0.000 |
20 |
26 |
|
[NO3]B:419 |
4 |
1 |
159 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
11424 |
68.2 |
2.2 |
0.581 |
3 |
0 |
0 |
0.000 |
27 |
|
[NO3]A:420 |
4 |
1 |
158 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
11422 |
68.0 |
2.2 |
0.579 |
3 |
0 |
0 |
0.000 |
Average: |
68.1 |
2.2 |
0.580 |
3 |
0 |
0 |
0.000 |
21 |
28 |
|
[NO3]A:403 |
4 |
1 |
158 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
11422 |
68.2 |
0.6 |
0.466 |
2 |
0 |
0 |
0.022 |
29 |
|
[NO3]B:410 |
4 |
1 |
160 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
11424 |
68.1 |
0.6 |
0.466 |
2 |
0 |
0 |
0.022 |
Average: |
68.2 |
0.6 |
0.466 |
2 |
0 |
0 |
0.022 |
22 |
30 |
|
[NO3]B:401 |
4 |
1 |
159 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
11422 |
66.6 |
0.6 |
0.574 |
3 |
0 |
0 |
0.055 |
31 |
|
[NO3]A:408 |
4 |
1 |
159 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
11424 |
65.8 |
0.6 |
0.579 |
3 |
0 |
0 |
0.055 |
Average: |
66.2 |
0.6 |
0.577 |
3 |
0 |
0 |
0.055 |
23 |
32 |
|
[NO3]B:422 |
4 |
1 |
159 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
11424 |
62.5 |
0.4 |
0.423 |
0 |
0 |
0 |
0.000 |
24 |
33 |
|
[NO3]B:401 |
4 |
1 |
159 |
◊ |
B |
x,y,z |
1_555 |
7 |
5 |
11424 |
59.4 |
0.7 |
0.464 |
3 |
0 |
0 |
0.028 |
34 |
|
[NO3]A:408 |
4 |
1 |
159 |
◊ |
A |
x,y,z |
1_555 |
7 |
5 |
11422 |
58.8 |
0.7 |
0.460 |
2 |
0 |
0 |
0.028 |
Average: |
59.1 |
0.7 |
0.462 |
3 |
0 |
0 |
0.028 |
25 |
35 |
|
[NO3]A:416 |
4 |
1 |
158 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
11422 |
55.9 |
0.4 |
0.741 |
0 |
0 |
0 |
0.000 |
26 |
36 |
|
[NO3]A:421 |
4 |
1 |
158 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
11422 |
54.7 |
0.5 |
0.415 |
0 |
0 |
0 |
0.000 |
27 |
37 |
|
[NO3]A:403 |
4 |
1 |
158 |
◊ |
B |
-x,-y,z |
4_555 |
7 |
2 |
11424 |
47.3 |
0.1 |
0.650 |
0 |
0 |
0 |
0.000 |
38 |
|
[NO3]B:410 |
4 |
1 |
160 |
◊ |
A |
-x,-y,z |
4_555 |
7 |
2 |
11422 |
46.8 |
0.1 |
0.656 |
0 |
0 |
0 |
0.000 |
Average: |
47.0 |
0.1 |
0.653 |
0 |
0 |
0 |
0.000 |
28 |
39 |
|
[NO3]A:421 |
4 |
1 |
158 |
◊ |
A |
-y,x-y,z-1/3 |
2_554 |
6 |
3 |
11422 |
46.2 |
0.8 |
0.881 |
1 |
0 |
0 |
0.000 |
29 |
40 |
|
A |
3 |
1 |
11422 |
◊ |
A |
-x,-y-1,z |
4_545 |
3 |
1 |
11422 |
44.1 |
2.0 |
0.953 |
0 |
0 |
0 |
0.000 |
41 |
|
B |
3 |
1 |
11424 |
◊ |
B |
-x+1,-y+1,z |
4_665 |
3 |
1 |
11424 |
43.5 |
2.0 |
0.953 |
0 |
0 |
0 |
0.000 |
Average: |
43.8 |
2.0 |
0.953 |
0 |
0 |
0 |
0.000 |
30 |
42 |
|
[NO3]A:415 |
3 |
1 |
158 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
11422 |
42.8 |
0.1 |
0.711 |
0 |
0 |
0 |
0.000 |
31 |
43 |
|
[NO3]B:412 |
4 |
1 |
160 |
◊ |
B |
-y,x-y,z-1/3 |
2_554 |
6 |
2 |
11424 |
42.7 |
-0.2 |
0.558 |
0 |
0 |
0 |
0.000 |
32 |
44 |
|
A |
5 |
2 |
11422 |
◊ |
[NO3]A:406 |
-y,x-y,z-1/3 |
2_554 |
4 |
1 |
159 |
42.6 |
-0.1 |
0.521 |
0 |
0 |
0 |
0.000 |
33 |
45 |
|
[NO3]B:419 |
3 |
1 |
159 |
f |
A |
x,y,z |
1_555 |
5 |
1 |
11422 |
41.7 |
1.0 |
0.923 |
3 |
0 |
0 |
0.024 |
46 |
|
[NO3]A:420 |
3 |
1 |
158 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
11424 |
41.3 |
1.0 |
0.914 |
3 |
0 |
0 |
0.024 |
Average: |
41.5 |
1.0 |
0.919 |
3 |
0 |
0 |
0.024 |
34 |
47 |
|
[NO3]B:417 |
4 |
1 |
158 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
11422 |
39.0 |
0.8 |
0.903 |
0 |
0 |
0 |
0.000 |
35 |
48 |
|
B |
4 |
1 |
11424 |
f |
[NO3]A:405 |
x-1,y-1,z |
1_445 |
3 |
1 |
159 |
29.7 |
-0.1 |
0.572 |
0 |
0 |
0 |
0.007 |
36 |
49 |
|
[NO3]A:420 |
2 |
1 |
158 |
◊ |
[NO3]A:407 |
x,y,z |
1_555 |
1 |
1 |
157 |
24.5 |
0.6 |
0.500 |
0 |
0 |
0 |
0.000 |
50 |
|
[NO3]B:419 |
3 |
1 |
159 |
◊ |
[NO3]B:414 |
x,y,z |
1_555 |
1 |
1 |
159 |
24.4 |
0.6 |
0.500 |
0 |
0 |
0 |
0.000 |
Average: |
24.4 |
0.6 |
0.500 |
0 |
0 |
0 |
0.000 |
37 |
51 |
|
[NO3]B:409 |
3 |
1 |
159 |
◊ |
B |
-y,x-y,z-1/3 |
2_554 |
1 |
1 |
11424 |
23.8 |
0.7 |
0.969 |
0 |
0 |
0 |
0.000 |
38 |
52 |
|
[NO3]B:413 |
2 |
1 |
159 |
◊ |
A |
x,y-1,z |
1_545 |
5 |
2 |
11422 |
23.7 |
-0.0 |
0.676 |
0 |
0 |
0 |
0.000 |
39 |
53 |
|
[NO3]B:410 |
3 |
1 |
160 |
◊ |
B |
-x,-y,z |
4_555 |
3 |
1 |
11424 |
22.3 |
0.4 |
0.875 |
0 |
0 |
0 |
0.000 |
54 |
|
[NO3]A:403 |
3 |
1 |
158 |
◊ |
A |
-x,-y,z |
4_555 |
3 |
1 |
11422 |
20.9 |
0.4 |
0.875 |
0 |
0 |
0 |
0.000 |
Average: |
21.6 |
0.4 |
0.875 |
0 |
0 |
0 |
0.000 |
40 |
55 |
|
A |
2 |
2 |
11422 |
◊ |
[NO3]A:402 |
-y,x-y,z-1/3 |
2_554 |
3 |
1 |
158 |
21.3 |
0.6 |
0.945 |
0 |
0 |
0 |
0.000 |
41 |
56 |
|
[NO3]A:421 |
2 |
1 |
158 |
f |
[NO3]A:402 |
-y,x-y,z-1/3 |
2_554 |
1 |
1 |
158 |
17.6 |
0.4 |
0.500 |
0 |
0 |
0 |
0.000 |
42 |
57 |
|
[NO3]A:404 |
1 |
1 |
159 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
11424 |
12.6 |
-0.1 |
0.672 |
0 |
0 |
0 |
0.004 |
43 |
58 |
|
[NO3]A:421 |
3 |
1 |
158 |
◊ |
[NO3]A:406 |
-y,x-y,z-1/3 |
2_554 |
2 |
1 |
159 |
12.3 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
44 |
59 |
|
[NO3]B:411 |
1 |
1 |
159 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
11422 |
11.5 |
-0.0 |
0.623 |
0 |
0 |
0 |
0.003 |
45 |
60 |
|
A |
2 |
1 |
11422 |
x |
A |
x,y-1,z |
1_545 |
1 |
1 |
11422 |
6.0 |
0.0 |
0.636 |
0 |
0 |
0 |
0.000 |
61 |
|
B |
1 |
1 |
11424 |
x |
B |
x-1,y-1,z |
1_445 |
2 |
1 |
11424 |
5.2 |
0.0 |
0.638 |
0 |
0 |
0 |
0.000 |
Average: |
5.6 |
0.0 |
0.637 |
0 |
0 |
0 |
0.000 |
46 |
62 |
|
A |
1 |
1 |
11422 |
x |
A |
x-y+1,x,z+1/3 |
6_655 |
1 |
1 |
11422 |
4.8 |
-0.0 |
0.555 |
0 |
0 |
0 |
0.000 |
63 |
|
B |
1 |
1 |
11424 |
x |
B |
x-y-1,x-1,z+1/3 |
6_445 |
1 |
1 |
11424 |
3.9 |
-0.0 |
0.566 |
0 |
0 |
0 |
0.000 |
Average: |
4.4 |
-0.0 |
0.560 |
0 |
0 |
0 |
0.000 |
47 |
64 |
|
[NO3]B:413 |
1 |
1 |
159 |
◊ |
A |
-x,-y,z |
4_555 |
1 |
1 |
11422 |
3.7 |
0.1 |
0.876 |
0 |
0 |
0 |
0.000 |
48 |
65 |
|
A |
2 |
2 |
11422 |
◊ |
A |
-x,-y+1,z |
4_565 |
2 |
2 |
11422 |
3.5 |
0.0 |
0.652 |
0 |
0 |
0 |
0.000 |
66 |
|
B |
2 |
2 |
11424 |
◊ |
B |
-x-1,-y-1,z |
4_445 |
2 |
2 |
11424 |
2.2 |
-0.0 |
0.648 |
0 |
0 |
0 |
0.000 |
Average: |
2.8 |
-0.0 |
0.650 |
0 |
0 |
0 |
0.000 |
49 |
67 |
|
[NO3]A:416 |
1 |
1 |
158 |
f |
A |
-y,x-y,z-1/3 |
2_554 |
1 |
1 |
11422 |
1.9 |
0.1 |
0.863 |
0 |
0 |
0 |
0.000 |
50 |
68 |
|
[NO3]B:414 |
1 |
1 |
159 |
f |
A |
-x,-y-1,z |
4_545 |
2 |
1 |
11422 |
0.9 |
-0.0 |
0.793 |
0 |
0 |
0 |
0.000 |
|