| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
B |
95 |
30 |
30511 |
◊ |
A |
x,y,z |
1_555 |
99 |
29 |
29888 |
834.4 |
-7.2 |
0.190 |
9 |
0 |
0 |
0.000 |
2 |
|
A |
65 |
24 |
29888 |
◊ |
B |
x,y,z-1 |
1_554 |
69 |
25 |
30511 |
629.0 |
-6.8 |
0.134 |
7 |
4 |
0 |
0.000 |
3 |
|
B |
46 |
16 |
30511 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
58 |
19 |
30511 |
428.2 |
-0.3 |
0.481 |
4 |
0 |
0 |
0.000 |
4 |
|
A |
45 |
18 |
29888 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
46 |
15 |
29888 |
364.3 |
-1.8 |
0.329 |
5 |
2 |
0 |
0.000 |
5 |
|
A |
45 |
17 |
29888 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
38 |
13 |
30511 |
352.0 |
-1.1 |
0.470 |
5 |
2 |
0 |
0.000 |
6 |
|
[ADP]B:802 |
26 |
1 |
563 |
f |
B |
x,y,z |
1_555 |
39 |
14 |
30511 |
284.1 |
-0.5 |
0.796 |
10 |
0 |
0 |
0.000 |
7 |
|
[ADP]A:1001 |
24 |
1 |
554 |
f |
A |
x,y,z |
1_555 |
36 |
12 |
29888 |
259.2 |
-1.5 |
0.719 |
10 |
0 |
0 |
0.115 |
8 |
|
[EPE]B:814 |
15 |
1 |
398 |
◊ |
B |
x,y,z |
1_555 |
34 |
12 |
30511 |
188.5 |
4.9 |
0.080 |
3 |
0 |
0 |
0.000 |
9 |
|
[EPE]B:813 |
13 |
1 |
400 |
f |
B |
x,y,z |
1_555 |
30 |
10 |
30511 |
174.1 |
4.5 |
0.103 |
0 |
0 |
0 |
0.000 |
10 |
|
[EPE]B:813 |
14 |
1 |
400 |
◊ |
A |
x,y,z |
1_555 |
21 |
8 |
29888 |
161.7 |
5.1 |
0.072 |
0 |
0 |
0 |
0.000 |
11 |
|
B |
13 |
4 |
30511 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
23 |
6 |
29888 |
158.4 |
1.8 |
0.738 |
2 |
2 |
0 |
0.000 |
12 |
|
B |
22 |
11 |
30511 |
x |
B |
-x,y-1/2,-z+1 |
2_546 |
21 |
6 |
30511 |
138.4 |
-0.2 |
0.539 |
0 |
1 |
0 |
0.000 |
13 |
|
[NO3]B:809 |
4 |
1 |
168 |
f |
B |
x,y,z |
1_555 |
22 |
10 |
30511 |
110.0 |
2.0 |
0.605 |
1 |
0 |
0 |
0.000 |
14 |
|
[NO3]B:805 |
4 |
1 |
169 |
f |
B |
x,y,z |
1_555 |
21 |
8 |
30511 |
110.0 |
1.7 |
0.567 |
3 |
0 |
0 |
0.000 |
15 |
|
[NO3]B:810 |
4 |
1 |
168 |
f |
B |
x,y,z |
1_555 |
23 |
9 |
30511 |
103.5 |
1.7 |
0.595 |
2 |
0 |
0 |
0.000 |
16 |
|
[NO3]A:1007 |
4 |
1 |
168 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
29888 |
98.8 |
0.8 |
0.484 |
4 |
0 |
0 |
0.018 |
17 |
|
[NO3]B:812 |
4 |
1 |
169 |
f |
B |
x,y,z |
1_555 |
22 |
8 |
30511 |
97.9 |
0.9 |
0.491 |
4 |
0 |
0 |
0.000 |
18 |
|
[NO3]B:811 |
4 |
1 |
168 |
◊ |
B |
x,y,z |
1_555 |
14 |
7 |
30511 |
91.6 |
1.2 |
0.537 |
1 |
0 |
0 |
0.000 |
19 |
|
B |
6 |
3 |
30511 |
x |
B |
x,y-1,z |
1_545 |
13 |
4 |
30511 |
90.6 |
-1.3 |
0.217 |
0 |
0 |
0 |
0.000 |
20 |
|
[NO3]A:1005 |
4 |
1 |
169 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
29888 |
89.3 |
1.3 |
0.462 |
1 |
0 |
0 |
0.000 |
21 |
|
[NO3]A:1003 |
4 |
1 |
168 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
29888 |
87.3 |
1.6 |
0.496 |
2 |
0 |
0 |
0.000 |
22 |
|
[NO3]B:807 |
4 |
1 |
168 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
30511 |
87.1 |
1.5 |
0.493 |
3 |
0 |
0 |
0.000 |
23 |
|
[NO3]A:1009 |
4 |
1 |
169 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
29888 |
86.2 |
1.3 |
0.535 |
5 |
0 |
0 |
0.019 |
24 |
|
[NO3]B:803 |
4 |
1 |
169 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
30511 |
83.4 |
1.5 |
0.490 |
2 |
0 |
0 |
0.000 |
25 |
|
[NO3]A:1010 |
4 |
1 |
168 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
29888 |
82.8 |
0.8 |
0.408 |
2 |
0 |
0 |
0.001 |
26 |
|
[NO3]A:1002 |
4 |
1 |
167 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
29888 |
82.7 |
1.5 |
0.493 |
2 |
0 |
0 |
0.000 |
27 |
|
[NO3]A:1004 |
4 |
1 |
168 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
29888 |
80.7 |
1.2 |
0.569 |
2 |
0 |
0 |
0.000 |
28 |
|
[NO3]A:1006 |
4 |
1 |
168 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
29888 |
70.6 |
0.1 |
0.319 |
0 |
0 |
0 |
0.000 |
29 |
|
[NO3]B:804 |
4 |
1 |
167 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
30511 |
65.9 |
0.9 |
0.465 |
2 |
0 |
0 |
0.000 |
30 |
|
[NO3]B:808 |
4 |
1 |
168 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
30511 |
64.8 |
0.8 |
0.418 |
1 |
0 |
0 |
0.000 |
31 |
|
[NO3]A:1008 |
4 |
1 |
167 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
29888 |
64.8 |
0.7 |
0.410 |
1 |
0 |
0 |
0.000 |
32 |
|
A |
8 |
4 |
29888 |
◊ |
B |
x,y-1,z-1 |
1_544 |
10 |
3 |
30511 |
64.3 |
-1.1 |
0.320 |
0 |
0 |
0 |
0.000 |
33 |
|
A |
12 |
5 |
29888 |
◊ |
[NO3]B:808 |
-x,y-1/2,-z+1 |
2_546 |
4 |
1 |
168 |
63.8 |
0.5 |
0.383 |
0 |
0 |
0 |
0.000 |
34 |
|
[NO3]B:801 |
4 |
1 |
168 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
30511 |
62.4 |
0.8 |
0.476 |
1 |
0 |
0 |
0.000 |
35 |
|
[NO3]B:806 |
4 |
1 |
168 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
30511 |
61.7 |
1.1 |
0.490 |
1 |
0 |
0 |
0.000 |
36 |
|
[NO3]B:801 |
4 |
1 |
168 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
29888 |
61.1 |
0.8 |
0.487 |
2 |
0 |
0 |
0.002 |
37 |
|
A |
8 |
3 |
29888 |
x |
A |
x,y-1,z |
1_545 |
7 |
4 |
29888 |
52.0 |
-0.2 |
0.549 |
0 |
0 |
0 |
0.000 |
38 |
|
[NO3]B:804 |
4 |
1 |
167 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
29888 |
50.1 |
0.8 |
0.835 |
1 |
0 |
0 |
0.000 |
39 |
|
[NO3]A:1004 |
3 |
1 |
168 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
30511 |
43.9 |
0.8 |
0.831 |
0 |
0 |
0 |
0.000 |
40 |
|
[NO3]B:806 |
3 |
1 |
168 |
◊ |
[NO3]A:1008 |
x,y,z |
1_555 |
3 |
1 |
167 |
33.0 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
41 |
|
A |
4 |
2 |
29888 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
3 |
30511 |
32.6 |
-0.1 |
0.509 |
0 |
0 |
0 |
0.000 |
42 |
|
[NO3]A:1008 |
3 |
1 |
167 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
30511 |
27.7 |
0.8 |
0.957 |
1 |
0 |
0 |
0.000 |
43 |
|
[NO3]A:1010 |
1 |
1 |
168 |
◊ |
B |
x,y,z-1 |
1_554 |
2 |
1 |
30511 |
25.2 |
0.3 |
0.348 |
0 |
0 |
0 |
0.000 |
44 |
|
B |
4 |
2 |
30511 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
2 |
29888 |
24.1 |
-0.4 |
0.410 |
0 |
0 |
0 |
0.000 |
45 |
|
[NO3]B:807 |
2 |
1 |
168 |
f |
[NO3]B:803 |
x,y,z |
1_555 |
3 |
1 |
169 |
22.0 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
46 |
|
[NO3]B:804 |
3 |
1 |
167 |
◊ |
[NO3]A:1008 |
x,y,z |
1_555 |
3 |
1 |
167 |
20.4 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
47 |
|
[EPE]B:814 |
2 |
1 |
398 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
29888 |
20.3 |
-0.1 |
0.076 |
0 |
0 |
0 |
0.002 |
48 |
|
[NO3]A:1010 |
3 |
1 |
168 |
f |
[NO3]A:1006 |
x,y,z |
1_555 |
3 |
1 |
168 |
18.5 |
0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
49 |
|
A |
2 |
1 |
29888 |
f |
[NO3]B:811 |
x,y,z-1 |
1_554 |
4 |
1 |
168 |
17.1 |
0.0 |
0.573 |
0 |
0 |
0 |
0.000 |
50 |
|
[EPE]B:813 |
3 |
1 |
400 |
◊ |
[NO3]B:801 |
x,y,z |
1_555 |
2 |
1 |
168 |
16.5 |
0.8 |
0.251 |
0 |
0 |
0 |
0.000 |
51 |
|
[NO3]B:804 |
3 |
1 |
167 |
◊ |
[NO3]B:801 |
x,y,z |
1_555 |
3 |
1 |
168 |
16.5 |
0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
52 |
|
[NO3]B:806 |
1 |
1 |
168 |
f |
[NO3]B:804 |
x,y,z |
1_555 |
4 |
1 |
167 |
12.4 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
53 |
|
[NO3]B:801 |
3 |
1 |
168 |
f |
[NO3]A:1004 |
x,y,z |
1_555 |
2 |
1 |
168 |
12.1 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
54 |
|
[NO3]B:806 |
1 |
1 |
168 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
29888 |
7.3 |
0.2 |
0.900 |
0 |
0 |
0 |
0.000 |
55 |
|
A |
1 |
1 |
29888 |
f |
[NO3]A:1005 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
169 |
4.7 |
0.1 |
0.898 |
0 |
0 |
0 |
0.000 |
56 |
|
[NO3]B:807 |
2 |
1 |
168 |
f |
[NO3]B:806 |
x,y,z |
1_555 |
1 |
1 |
168 |
4.5 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
57 |
|
[EPE]B:813 |
1 |
1 |
400 |
f |
[NO3]B:805 |
x,y,z |
1_555 |
1 |
1 |
169 |
3.2 |
0.1 |
0.447 |
0 |
0 |
0 |
0.000 |
58 |
|
A |
1 |
1 |
29888 |
x |
A |
-x,y-1/2,-z |
2_545 |
2 |
1 |
29888 |
3.2 |
0.0 |
0.524 |
0 |
0 |
0 |
0.000 |
|