## |
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 |
192 |
51 |
14942 |
◊ |
B |
x,y,z |
1_555 |
217 |
62 |
14976 |
2014.2 |
-21.5 |
0.180 |
19 |
11 |
0 |
0.718 |
2 |
|
C |
211 |
60 |
14942 |
◊ |
A |
x,y,z |
1_555 |
195 |
51 |
15043 |
2011.9 |
-20.9 |
0.182 |
23 |
9 |
0 |
0.718 |
3 |
|
B |
194 |
51 |
14976 |
◊ |
A |
x,y,z |
1_555 |
210 |
61 |
15043 |
2007.2 |
-20.7 |
0.185 |
22 |
11 |
0 |
0.718 |
Average: |
2011.1 |
-21.0 |
0.182 |
21 |
10 |
0 |
0.718 |
2 |
4 |
|
A |
92 |
36 |
15043 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
95 |
34 |
14942 |
826.0 |
-2.2 |
0.755 |
2 |
10 |
0 |
0.000 |
3 |
5 |
|
B |
43 |
14 |
14976 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
45 |
17 |
15043 |
377.5 |
-2.4 |
0.552 |
1 |
1 |
0 |
0.000 |
4 |
6 |
|
A |
24 |
7 |
15043 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
34 |
13 |
14976 |
299.3 |
-1.2 |
0.381 |
1 |
2 |
0 |
0.000 |
5 |
7 |
|
C |
21 |
8 |
14942 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
29 |
8 |
14976 |
227.0 |
-2.6 |
0.321 |
0 |
1 |
0 |
0.000 |
6 |
8 |
|
B |
28 |
10 |
14976 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
25 |
6 |
14976 |
216.3 |
-0.4 |
0.668 |
0 |
0 |
0 |
0.000 |
7 |
9 |
|
A |
20 |
7 |
15043 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
20 |
9 |
14942 |
137.1 |
-1.2 |
0.512 |
0 |
0 |
0 |
0.000 |
8 |
10 |
|
B |
13 |
4 |
14976 |
◊ |
A |
x-1,y,z |
1_455 |
11 |
2 |
15043 |
107.5 |
0.1 |
0.685 |
1 |
0 |
0 |
0.000 |
9 |
11 |
|
C |
8 |
2 |
14942 |
x |
C |
x-1,y,z |
1_455 |
10 |
3 |
14942 |
95.4 |
-0.2 |
0.613 |
0 |
0 |
0 |
0.000 |
10 |
12 |
|
B |
10 |
5 |
14976 |
x |
B |
x-1,y,z |
1_455 |
9 |
2 |
14976 |
90.5 |
-0.6 |
0.534 |
0 |
1 |
0 |
0.000 |
11 |
13 |
|
[NO2]B:503 |
3 |
1 |
152 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
14942 |
56.6 |
0.4 |
0.676 |
0 |
0 |
0 |
0.000 |
12 |
14 |
|
[NO2]A:503 |
3 |
1 |
150 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
14976 |
55.7 |
0.4 |
0.679 |
0 |
0 |
0 |
0.000 |
13 |
15 |
|
[NO2]C:503 |
3 |
1 |
152 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
15043 |
55.5 |
0.4 |
0.631 |
0 |
0 |
0 |
0.000 |
14 |
16 |
|
A |
5 |
2 |
15043 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
7 |
2 |
14976 |
53.0 |
-0.9 |
0.289 |
0 |
0 |
0 |
0.000 |
15 |
17 |
|
[NO2]A:503 |
3 |
1 |
150 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
15043 |
40.9 |
0.1 |
0.632 |
1 |
0 |
0 |
0.003 |
16 |
18 |
|
[NO2]C:503 |
3 |
1 |
152 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
14942 |
40.8 |
0.2 |
0.650 |
1 |
0 |
0 |
0.003 |
17 |
19 |
|
[NO2]B:503 |
3 |
1 |
152 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
14976 |
39.3 |
0.6 |
0.854 |
1 |
0 |
0 |
0.000 |
18 |
20 |
|
[CU]A:502 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
14976 |
37.3 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.104 |
21 |
|
[CU]B:502 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
14942 |
37.1 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.104 |
22 |
|
[CU]C:502 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
15043 |
36.6 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.104 |
Average: |
37.0 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.104 |
19 |
23 |
|
[CU]B:502 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
14976 |
35.6 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.125 |
24 |
|
[CU]C:502 |
1 |
1 |
125 |
cf |
C |
x,y,z |
1_555 |
8 |
5 |
14942 |
35.5 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.125 |
25 |
|
[CU]A:502 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
15043 |
35.4 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.125 |
Average: |
35.5 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.125 |
20 |
26 |
|
[NO2]B:503 |
3 |
1 |
152 |
f |
[CU]B:502 |
x,y,z |
1_555 |
1 |
1 |
125 |
27.5 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.035 |
21 |
27 |
|
[NO2]C:503 |
3 |
1 |
152 |
f |
[CU]C:502 |
x,y,z |
1_555 |
1 |
1 |
125 |
27.2 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.039 |
28 |
|
[NO2]A:503 |
3 |
1 |
150 |
f |
[CU]A:502 |
x,y,z |
1_555 |
1 |
1 |
125 |
26.8 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.039 |
Average: |
27.0 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.039 |
22 |
29 |
|
A |
1 |
1 |
15043 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
1 |
14976 |
15.9 |
0.1 |
0.674 |
0 |
0 |
0 |
0.000 |
23 |
30 |
|
C |
1 |
1 |
14942 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
14976 |
10.5 |
-0.3 |
0.208 |
0 |
0 |
0 |
0.000 |
24 |
31 |
|
A |
1 |
1 |
15043 |
x |
A |
x-1,y,z |
1_455 |
1 |
1 |
15043 |
2.6 |
-0.1 |
0.411 |
0 |
0 |
0 |
0.000 |
|