| ## |
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 |
|
C |
200 |
51 |
15084 |
◊ |
B |
x,y,z |
1_555 |
212 |
59 |
15045 |
2033.6 |
-20.8 |
0.205 |
36 |
12 |
0 |
0.747 |
2 |
|
C |
205 |
60 |
15084 |
◊ |
A |
x,y,z |
1_555 |
201 |
51 |
15180 |
2020.6 |
-20.1 |
0.218 |
35 |
13 |
0 |
0.747 |
3 |
|
B |
203 |
52 |
15045 |
◊ |
A |
x,y,z |
1_555 |
212 |
61 |
15180 |
2018.0 |
-20.8 |
0.206 |
34 |
10 |
0 |
0.747 |
| Average: |
2024.1 |
-20.6 |
0.210 |
35 |
12 |
0 |
0.747 |
| 2 |
4 |
|
A |
85 |
37 |
15180 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
83 |
32 |
15084 |
747.2 |
-2.0 |
0.743 |
5 |
7 |
0 |
0.000 |
| 3 |
5 |
|
B |
45 |
14 |
15045 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
46 |
19 |
15180 |
419.1 |
-2.1 |
0.591 |
2 |
2 |
0 |
0.000 |
| 4 |
6 |
|
A |
26 |
8 |
15180 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
39 |
13 |
15045 |
286.2 |
-1.7 |
0.428 |
2 |
0 |
0 |
0.000 |
| 5 |
7 |
|
B |
30 |
11 |
15045 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
24 |
6 |
15045 |
231.9 |
0.6 |
0.734 |
2 |
0 |
0 |
0.000 |
| 6 |
8 |
|
C |
19 |
8 |
15084 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
24 |
7 |
15045 |
224.7 |
-2.0 |
0.358 |
2 |
2 |
0 |
0.000 |
| 7 |
9 |
|
A |
25 |
9 |
15180 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
21 |
10 |
15084 |
160.1 |
-1.6 |
0.480 |
0 |
0 |
0 |
0.000 |
| 8 |
10 |
|
B |
14 |
4 |
15045 |
◊ |
A |
x-1,y,z |
1_455 |
11 |
2 |
15180 |
120.2 |
0.3 |
0.699 |
0 |
0 |
0 |
0.000 |
| 9 |
11 |
|
C |
8 |
2 |
15084 |
x |
C |
x-1,y,z |
1_455 |
10 |
3 |
15084 |
92.2 |
0.3 |
0.659 |
0 |
0 |
0 |
0.000 |
| 10 |
12 |
|
B |
8 |
4 |
15045 |
x |
B |
x-1,y,z |
1_455 |
6 |
1 |
15045 |
72.5 |
-0.8 |
0.419 |
0 |
0 |
0 |
0.000 |
| 11 |
13 |
|
[NO2]B:704 |
3 |
1 |
153 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
15084 |
52.3 |
0.4 |
0.719 |
1 |
0 |
0 |
0.000 |
| 12 |
14 |
|
[NO2]A:604 |
3 |
1 |
154 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
15045 |
52.1 |
0.5 |
0.731 |
1 |
0 |
0 |
0.000 |
| 13 |
15 |
|
[NO2]B:704 |
3 |
1 |
153 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
15045 |
51.1 |
0.0 |
0.616 |
0 |
0 |
0 |
0.000 |
16 |
|
[NO2]A:604 |
3 |
1 |
154 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
15180 |
50.0 |
-0.0 |
0.620 |
0 |
0 |
0 |
0.000 |
| Average: |
50.5 |
-0.0 |
0.618 |
0 |
0 |
0 |
0.000 |
| 14 |
17 |
|
[NO2]A:804 |
3 |
1 |
152 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
15180 |
50.9 |
0.5 |
0.731 |
1 |
0 |
0 |
0.000 |
| 15 |
18 |
|
[NO2]A:804 |
3 |
1 |
152 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
15084 |
50.0 |
0.1 |
0.650 |
0 |
0 |
0 |
0.000 |
| 16 |
19 |
|
[CU]B:702 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
15084 |
38.8 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.095 |
20 |
|
[CU]A:602 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
15045 |
38.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.095 |
21 |
|
[CU]C:802 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
15180 |
37.9 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.095 |
| Average: |
38.3 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.095 |
| 17 |
22 |
|
[CU]C:802 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
15084 |
38.8 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.118 |
23 |
|
[CU]B:702 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
15045 |
38.8 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.118 |
24 |
|
[CU]A:602 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
15180 |
37.5 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.118 |
| Average: |
38.4 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.118 |
| 18 |
25 |
|
A |
2 |
1 |
15180 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
6 |
2 |
15045 |
37.4 |
-0.7 |
0.233 |
0 |
0 |
0 |
0.000 |
| 19 |
26 |
|
[NO2]A:604 |
3 |
1 |
154 |
f |
[CU]A:602 |
x,y,z |
1_555 |
1 |
1 |
125 |
25.3 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.041 |
27 |
|
[NO2]A:804 |
3 |
1 |
152 |
f |
[CU]C:802 |
x,y,z |
1_555 |
1 |
1 |
125 |
24.4 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.041 |
28 |
|
[NO2]B:704 |
3 |
1 |
153 |
f |
[CU]B:702 |
x,y,z |
1_555 |
1 |
1 |
125 |
24.2 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.041 |
| Average: |
24.6 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.041 |
| 20 |
29 |
|
A |
2 |
1 |
15180 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
1 |
15045 |
16.9 |
-0.0 |
0.614 |
0 |
0 |
0 |
0.000 |
|