## |
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 |
65 |
23 |
22323 |
◊ |
A |
x-1,y,z-1 |
1_454 |
66 |
17 |
22565 |
566.8 |
0.9 |
0.717 |
8 |
7 |
0 |
0.000 |
2 |
|
B |
65 |
17 |
22323 |
◊ |
A |
x-1,y,z |
1_455 |
58 |
20 |
22565 |
550.1 |
2.3 |
0.801 |
9 |
6 |
0 |
0.000 |
Average: |
558.5 |
1.6 |
0.759 |
9 |
7 |
0 |
0.000 |
2 |
3 |
|
B |
55 |
17 |
22323 |
◊ |
A |
x,y,z |
1_555 |
63 |
17 |
22565 |
548.9 |
-0.0 |
0.622 |
7 |
1 |
0 |
0.000 |
4 |
|
B |
65 |
18 |
22323 |
◊ |
A |
x,y,z-1 |
1_554 |
53 |
17 |
22565 |
547.6 |
0.7 |
0.685 |
7 |
2 |
0 |
0.000 |
Average: |
548.2 |
0.3 |
0.654 |
7 |
2 |
0 |
0.000 |
3 |
5 |
|
A |
29 |
8 |
22565 |
x |
A |
-x,y-1/2,-z-1 |
2_544 |
29 |
10 |
22565 |
262.9 |
1.3 |
0.708 |
6 |
1 |
0 |
0.000 |
6 |
|
B |
27 |
10 |
22323 |
x |
B |
-x-1,y-1/2,-z-2 |
2_443 |
29 |
8 |
22323 |
247.4 |
1.7 |
0.788 |
8 |
1 |
0 |
0.000 |
Average: |
255.2 |
1.5 |
0.748 |
7 |
1 |
0 |
0.000 |
4 |
7 |
|
B |
20 |
7 |
22323 |
x |
B |
-x-1,y-1/2,-z-1 |
2_444 |
24 |
10 |
22323 |
181.3 |
-0.5 |
0.493 |
2 |
2 |
0 |
0.000 |
8 |
|
A |
17 |
8 |
22565 |
x |
A |
-x,y-1/2,-z |
2_545 |
21 |
7 |
22565 |
155.5 |
-0.4 |
0.497 |
1 |
2 |
0 |
0.000 |
Average: |
168.4 |
-0.4 |
0.495 |
2 |
2 |
0 |
0.000 |
5 |
9 |
|
[NO3]A:607 |
4 |
1 |
160 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
22565 |
106.7 |
0.8 |
0.391 |
0 |
0 |
0 |
0.000 |
6 |
10 |
|
[NO3]A:608 |
4 |
1 |
161 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
22565 |
98.2 |
1.5 |
0.553 |
5 |
0 |
0 |
0.007 |
7 |
11 |
|
[NO3]B:605 |
4 |
1 |
161 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
22323 |
96.2 |
1.5 |
0.581 |
3 |
0 |
0 |
0.000 |
8 |
12 |
|
[EDO]A:604 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
22565 |
93.8 |
2.3 |
0.343 |
0 |
0 |
0 |
0.000 |
9 |
13 |
|
[EDO]A:606 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
22323 |
88.2 |
1.8 |
0.230 |
1 |
0 |
0 |
0.000 |
10 |
14 |
|
[EDO]A:605 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
22565 |
86.9 |
1.8 |
0.229 |
1 |
0 |
0 |
0.000 |
11 |
15 |
|
[NO3]A:612 |
4 |
1 |
162 |
◊ |
B |
-x,y-1/2,-z-1 |
2_544 |
14 |
4 |
22323 |
80.6 |
1.1 |
0.452 |
0 |
0 |
0 |
0.000 |
12 |
16 |
|
A |
11 |
6 |
22565 |
◊ |
B |
-x,y-1/2,-z-1 |
2_544 |
10 |
5 |
22323 |
78.8 |
1.4 |
0.787 |
2 |
0 |
0 |
0.000 |
17 |
|
A |
7 |
6 |
22565 |
◊ |
B |
-x-1,y-1/2,-z-1 |
2_444 |
8 |
5 |
22323 |
36.0 |
0.5 |
0.698 |
0 |
0 |
0 |
0.000 |
Average: |
57.4 |
0.9 |
0.742 |
1 |
0 |
0 |
0.000 |
13 |
18 |
|
[NA]A:601 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
22565 |
76.8 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.126 |
19 |
|
[NA]B:601 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
8 |
22323 |
66.6 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.126 |
Average: |
71.7 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.126 |
14 |
20 |
|
B |
10 |
4 |
22323 |
f |
[EDO]A:605 |
x,y,z-1 |
1_554 |
4 |
1 |
185 |
74.7 |
2.0 |
0.267 |
2 |
0 |
0 |
0.000 |
15 |
21 |
|
[EDO]A:606 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
22565 |
74.0 |
1.9 |
0.263 |
2 |
0 |
0 |
0.000 |
16 |
22 |
|
[NO3]A:609 |
4 |
1 |
162 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
22565 |
68.4 |
0.8 |
0.435 |
2 |
0 |
0 |
0.000 |
17 |
23 |
|
[NO3]B:608 |
4 |
1 |
161 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
22323 |
68.0 |
0.1 |
0.327 |
0 |
0 |
0 |
0.000 |
18 |
24 |
|
[NO3]B:607 |
4 |
1 |
161 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
22323 |
68.0 |
0.7 |
0.424 |
3 |
0 |
0 |
0.007 |
19 |
25 |
|
[NO3]A:610 |
4 |
1 |
161 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
22565 |
65.3 |
0.1 |
0.316 |
0 |
0 |
0 |
0.000 |
20 |
26 |
|
[NO3]B:606 |
4 |
1 |
161 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
22323 |
64.7 |
1.6 |
0.560 |
2 |
0 |
0 |
0.000 |
21 |
27 |
|
[NO3]A:611 |
4 |
1 |
162 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
22565 |
63.4 |
1.7 |
0.561 |
2 |
0 |
0 |
0.000 |
22 |
28 |
|
B |
14 |
6 |
22323 |
f |
[NO3]A:611 |
x-1,y,z |
1_455 |
4 |
1 |
162 |
60.9 |
0.6 |
0.413 |
1 |
0 |
0 |
0.000 |
23 |
29 |
|
[NO3]B:610 |
4 |
1 |
161 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
22323 |
60.8 |
0.8 |
0.433 |
0 |
0 |
0 |
0.000 |
24 |
30 |
|
[NO3]B:606 |
4 |
1 |
161 |
f |
A |
x-1,y,z-1 |
1_454 |
12 |
5 |
22565 |
59.3 |
0.7 |
0.414 |
1 |
0 |
0 |
0.000 |
25 |
31 |
|
[NO3]B:607 |
4 |
1 |
161 |
◊ |
A |
x-1,y,z-1 |
1_454 |
8 |
3 |
22565 |
58.8 |
1.7 |
0.534 |
3 |
0 |
0 |
0.000 |
26 |
32 |
|
B |
7 |
3 |
22323 |
◊ |
[NO3]A:609 |
x-1,y,z |
1_455 |
4 |
1 |
162 |
58.7 |
1.6 |
0.536 |
2 |
0 |
0 |
0.000 |
27 |
33 |
|
[NO3]B:604 |
4 |
1 |
161 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
22323 |
56.5 |
0.5 |
0.342 |
1 |
0 |
0 |
0.000 |
28 |
34 |
|
[NO3]B:604 |
4 |
1 |
161 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
22565 |
53.3 |
0.6 |
0.740 |
0 |
0 |
0 |
0.000 |
29 |
35 |
|
[NO3]B:609 |
4 |
1 |
161 |
f |
B |
x,y,z |
1_555 |
10 |
2 |
22323 |
50.5 |
0.4 |
0.675 |
1 |
0 |
0 |
0.000 |
30 |
36 |
|
[NO3]A:612 |
3 |
1 |
162 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
22565 |
38.3 |
0.4 |
0.726 |
0 |
0 |
0 |
0.000 |
31 |
37 |
|
[NO3]B:609 |
3 |
1 |
161 |
f |
[NO3]B:608 |
x,y,z |
1_555 |
2 |
1 |
161 |
28.4 |
0.6 |
1.000 |
0 |
0 |
0 |
0.000 |
32 |
38 |
|
[NO3]A:611 |
1 |
1 |
162 |
◊ |
[NO3]A:609 |
x,y,z |
1_555 |
1 |
1 |
162 |
18.7 |
0.4 |
0.250 |
0 |
0 |
0 |
0.000 |
33 |
39 |
|
[NO3]B:607 |
1 |
1 |
161 |
◊ |
[NO3]B:606 |
x,y,z |
1_555 |
1 |
1 |
161 |
18.6 |
0.4 |
0.250 |
0 |
0 |
0 |
0.000 |
34 |
40 |
|
[NO3]B:604 |
1 |
1 |
161 |
f |
[EDO]A:604 |
x,y,z |
1_555 |
1 |
1 |
184 |
7.1 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
|