| ## |
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 |
66 |
21 |
8554 |
◊ |
A |
-x+2,y-1/2,-z+2 |
2_747 |
63 |
21 |
8589 |
646.9 |
-3.2 |
0.489 |
8 |
2 |
0 |
0.000 |
| 2 |
2 |
|
B |
61 |
19 |
8554 |
◊ |
A |
x,y,z |
1_555 |
65 |
15 |
8589 |
581.3 |
1.0 |
0.775 |
7 |
5 |
0 |
0.000 |
| 3 |
3 |
|
[HEM]B:500 |
43 |
1 |
795 |
f |
B |
x,y,z |
1_555 |
74 |
20 |
8554 |
562.6 |
-20.3 |
0.215 |
1 |
0 |
0 |
0.502 |
4 |
|
[HEM]A:500 |
42 |
1 |
795 |
f |
A |
x,y,z |
1_555 |
74 |
20 |
8589 |
524.1 |
-18.5 |
0.278 |
1 |
0 |
0 |
0.502 |
| Average: |
543.4 |
-19.4 |
0.247 |
1 |
0 |
0 |
0.502 |
| 4 |
5 |
|
A |
41 |
10 |
8589 |
x |
A |
x-1,y,z |
1_455 |
44 |
15 |
8589 |
396.0 |
-1.0 |
0.588 |
5 |
0 |
0 |
0.000 |
6 |
|
B |
33 |
8 |
8554 |
x |
B |
x-1,y,z |
1_455 |
36 |
12 |
8554 |
307.6 |
-0.8 |
0.560 |
3 |
0 |
0 |
0.000 |
| Average: |
351.8 |
-0.9 |
0.574 |
4 |
0 |
0 |
0.000 |
| 5 |
7 |
|
A |
39 |
10 |
8589 |
◊ |
B |
x,y,z-1 |
1_554 |
34 |
9 |
8554 |
340.7 |
-0.8 |
0.636 |
3 |
3 |
0 |
0.033 |
| 6 |
8 |
|
[PR]A:2 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
8589 |
106.3 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.120 |
9 |
|
[PR]B:4 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
8554 |
70.6 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.120 |
| Average: |
88.4 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.120 |
| 7 |
10 |
|
[NO3]A:148 |
4 |
1 |
169 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
8589 |
104.3 |
2.0 |
0.658 |
4 |
0 |
0 |
0.000 |
| 8 |
11 |
|
B |
8 |
3 |
8554 |
◊ |
A |
-x+3,y-1/2,-z+2 |
2_847 |
9 |
3 |
8589 |
102.1 |
-3.2 |
0.053 |
0 |
0 |
0 |
0.000 |
| 9 |
12 |
|
B |
11 |
6 |
8554 |
f |
[NO3]A:144 |
-x+2,y-1/2,-z+2 |
2_747 |
4 |
1 |
168 |
81.8 |
0.6 |
0.449 |
2 |
0 |
0 |
0.004 |
| 10 |
13 |
|
[NO3]A:142 |
4 |
1 |
168 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
8589 |
81.2 |
0.6 |
0.453 |
2 |
0 |
0 |
0.004 |
| 11 |
14 |
|
[NO3]B:145 |
4 |
1 |
168 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
8554 |
79.3 |
1.0 |
0.569 |
2 |
0 |
0 |
0.000 |
15 |
|
[NO3]A:143 |
4 |
1 |
168 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
8589 |
78.7 |
1.0 |
0.570 |
1 |
0 |
0 |
0.000 |
| Average: |
79.0 |
1.0 |
0.569 |
2 |
0 |
0 |
0.000 |
| 12 |
16 |
|
[PR]A:3 |
1 |
1 |
216 |
◊ |
B |
x,y,z-1 |
1_554 |
9 |
4 |
8554 |
78.4 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.172 |
17 |
|
[PR]A:1 |
1 |
1 |
216 |
◊ |
B |
x,y,z-1 |
1_554 |
16 |
5 |
8554 |
78.3 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.172 |
18 |
|
[PR]A:3 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
8589 |
68.1 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.172 |
19 |
|
[PR]A:1 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
8589 |
63.1 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.172 |
| Average: |
72.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.172 |
| 13 |
20 |
|
B |
10 |
5 |
8554 |
◊ |
[NO3]A:147 |
-x+2,y-1/2,-z+2 |
2_747 |
4 |
1 |
167 |
72.2 |
0.9 |
0.462 |
1 |
0 |
0 |
0.000 |
| 14 |
21 |
|
[NO3]B:140 |
4 |
1 |
167 |
◊ |
A |
-x+2,y-1/2,-z+2 |
2_747 |
10 |
5 |
8589 |
72.0 |
0.9 |
0.463 |
1 |
0 |
0 |
0.000 |
| 15 |
22 |
|
[NO3]B:140 |
4 |
1 |
167 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
8554 |
68.2 |
1.3 |
0.527 |
4 |
0 |
0 |
0.006 |
| 16 |
23 |
|
[NO3]A:147 |
4 |
1 |
167 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
8589 |
67.4 |
1.6 |
0.559 |
4 |
0 |
0 |
0.002 |
| 17 |
24 |
|
[NO3]A:141 |
4 |
1 |
167 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
8589 |
62.5 |
0.5 |
0.436 |
1 |
0 |
0 |
0.000 |
| 18 |
25 |
|
B |
7 |
3 |
8554 |
f |
[NO3]B:145 |
x-1,y,z |
1_455 |
4 |
1 |
168 |
57.8 |
-0.6 |
0.140 |
1 |
0 |
0 |
0.025 |
26 |
|
A |
8 |
3 |
8589 |
f |
[NO3]A:143 |
x-1,y,z |
1_455 |
4 |
1 |
168 |
57.1 |
-0.5 |
0.179 |
1 |
0 |
0 |
0.025 |
| Average: |
57.4 |
-0.5 |
0.159 |
1 |
0 |
0 |
0.025 |
| 19 |
27 |
|
[NO3]B:146 |
4 |
1 |
168 |
◊ |
B |
x-1,y,z |
1_455 |
10 |
4 |
8554 |
54.9 |
1.0 |
0.477 |
1 |
0 |
0 |
0.000 |
| 20 |
28 |
|
[NO3]B:146 |
4 |
1 |
168 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
8554 |
51.1 |
0.2 |
0.366 |
1 |
0 |
0 |
0.003 |
| 21 |
29 |
|
[NO3]B:146 |
3 |
1 |
168 |
f |
[PR]B:4 |
x,y,z |
1_555 |
1 |
1 |
216 |
49.3 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.044 |
30 |
|
[NO3]A:141 |
3 |
1 |
167 |
f |
[PR]A:2 |
x,y,z |
1_555 |
1 |
1 |
216 |
43.3 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.044 |
| Average: |
46.3 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.044 |
| 22 |
31 |
|
[PR]A:3 |
1 |
1 |
216 |
f |
[PR]A:1 |
x,y,z |
1_555 |
1 |
1 |
216 |
48.3 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.100 |
| 23 |
32 |
|
[PR]A:2 |
1 |
1 |
216 |
◊ |
B |
x,y,z-1 |
1_554 |
5 |
2 |
8554 |
47.5 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.032 |
33 |
|
A |
1 |
1 |
8589 |
◊ |
[PR]B:4 |
x,y,z-1 |
1_554 |
1 |
1 |
216 |
13.6 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.032 |
| Average: |
30.5 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.032 |
| 24 |
34 |
|
[NO3]A:141 |
4 |
1 |
167 |
◊ |
A |
x-1,y,z |
1_455 |
9 |
4 |
8589 |
47.2 |
0.7 |
0.466 |
1 |
0 |
0 |
0.000 |
| 25 |
35 |
|
B |
5 |
2 |
8554 |
◊ |
[NO3]A:142 |
-x+2,y-1/2,-z+2 |
2_747 |
3 |
1 |
168 |
38.2 |
0.1 |
0.628 |
0 |
0 |
0 |
0.000 |
| 26 |
36 |
|
[NO3]A:144 |
3 |
1 |
168 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
8589 |
37.0 |
0.2 |
0.690 |
0 |
0 |
0 |
0.000 |
| 27 |
37 |
|
[PR]B:4 |
1 |
1 |
216 |
◊ |
B |
x-1,y,z |
1_455 |
5 |
2 |
8554 |
31.3 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
38 |
|
[PR]A:2 |
1 |
1 |
216 |
◊ |
A |
x-1,y,z |
1_455 |
7 |
2 |
8589 |
28.6 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
29.9 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 28 |
39 |
|
B |
5 |
2 |
8554 |
x |
B |
-x+2,y-1/2,-z+2 |
2_747 |
3 |
1 |
8554 |
30.9 |
-0.1 |
0.532 |
0 |
0 |
0 |
0.000 |
| 29 |
40 |
|
[NO3]A:148 |
3 |
1 |
169 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
8554 |
27.4 |
1.1 |
0.954 |
1 |
0 |
0 |
0.000 |
| 30 |
41 |
|
A |
2 |
1 |
8589 |
x |
A |
-x+2,y-1/2,-z+2 |
2_747 |
4 |
1 |
8589 |
23.0 |
1.0 |
0.825 |
1 |
1 |
0 |
0.000 |
| 31 |
42 |
|
[NO3]A:144 |
3 |
1 |
168 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
8589 |
16.8 |
-0.1 |
0.343 |
0 |
0 |
0 |
0.000 |
| 32 |
43 |
|
B |
1 |
1 |
8554 |
◊ |
[NO3]A:142 |
-x+3,y-1/2,-z+2 |
2_847 |
3 |
1 |
168 |
14.9 |
-0.1 |
0.394 |
0 |
0 |
0 |
0.000 |
| 33 |
44 |
|
[NO3]A:141 |
2 |
1 |
167 |
◊ |
B |
x,y,z-1 |
1_554 |
1 |
1 |
8554 |
6.0 |
0.1 |
0.900 |
0 |
0 |
0 |
0.000 |
|