## |
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 |
209 |
60 |
15112 |
◊ |
A |
x,y,z |
1_555 |
197 |
51 |
15227 |
2020.3 |
-20.7 |
0.212 |
37 |
12 |
0 |
0.745 |
2 |
|
C |
199 |
51 |
15112 |
◊ |
B |
x,y,z |
1_555 |
205 |
60 |
15080 |
2013.1 |
-20.1 |
0.241 |
33 |
12 |
0 |
0.745 |
3 |
|
B |
203 |
52 |
15080 |
◊ |
A |
x,y,z |
1_555 |
210 |
61 |
15227 |
2011.0 |
-19.2 |
0.258 |
36 |
10 |
0 |
0.745 |
Average: |
2014.8 |
-20.0 |
0.237 |
35 |
11 |
0 |
0.745 |
2 |
4 |
|
A |
91 |
39 |
15227 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
95 |
35 |
15112 |
807.7 |
-3.0 |
0.723 |
4 |
6 |
0 |
0.000 |
3 |
5 |
|
B |
52 |
16 |
15080 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
42 |
17 |
15227 |
419.7 |
-3.2 |
0.514 |
2 |
2 |
0 |
0.000 |
4 |
6 |
|
A |
26 |
8 |
15227 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
35 |
13 |
15080 |
279.7 |
-2.3 |
0.444 |
1 |
0 |
0 |
0.000 |
5 |
7 |
|
B |
31 |
11 |
15080 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
23 |
6 |
15080 |
233.2 |
0.0 |
0.688 |
2 |
0 |
0 |
0.000 |
6 |
8 |
|
C |
20 |
8 |
15112 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
24 |
7 |
15080 |
226.7 |
-2.1 |
0.386 |
1 |
1 |
0 |
0.000 |
7 |
9 |
|
A |
20 |
7 |
15227 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
22 |
9 |
15112 |
143.6 |
-1.6 |
0.470 |
0 |
0 |
0 |
0.000 |
8 |
10 |
|
B |
13 |
4 |
15080 |
◊ |
A |
x-1,y,z |
1_455 |
9 |
2 |
15227 |
110.4 |
-0.3 |
0.563 |
0 |
0 |
0 |
0.000 |
9 |
11 |
|
C |
8 |
2 |
15112 |
x |
C |
x-1,y,z |
1_455 |
11 |
3 |
15112 |
98.3 |
0.0 |
0.612 |
0 |
0 |
0 |
0.000 |
10 |
12 |
|
B |
7 |
4 |
15080 |
x |
B |
x-1,y,z |
1_455 |
7 |
2 |
15080 |
82.1 |
-0.8 |
0.416 |
0 |
0 |
0 |
0.000 |
11 |
13 |
|
[NO2]A:604 |
3 |
1 |
152 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
15080 |
54.6 |
0.3 |
0.636 |
1 |
0 |
0 |
0.000 |
12 |
14 |
|
[NO2]B:704 |
3 |
1 |
152 |
◊ |
C |
x,y,z |
1_555 |
10 |
5 |
15112 |
54.3 |
0.4 |
0.692 |
0 |
0 |
0 |
0.000 |
13 |
15 |
|
[NO2]C:804 |
3 |
1 |
152 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
15227 |
51.7 |
0.8 |
0.863 |
1 |
0 |
0 |
0.000 |
14 |
16 |
|
A |
3 |
1 |
15227 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
7 |
2 |
15080 |
46.2 |
-0.8 |
0.239 |
0 |
0 |
0 |
0.000 |
15 |
17 |
|
[NO2]C:804 |
3 |
1 |
152 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
15112 |
44.2 |
0.4 |
0.712 |
2 |
0 |
0 |
0.006 |
16 |
18 |
|
[NO2]A:604 |
3 |
1 |
152 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
15227 |
43.7 |
0.7 |
0.857 |
2 |
0 |
0 |
0.003 |
17 |
19 |
|
[NO2]B:704 |
3 |
1 |
152 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
15080 |
42.9 |
0.2 |
0.682 |
2 |
0 |
0 |
0.007 |
18 |
20 |
|
[CU]A:601 |
1 |
1 |
125 |
f |
[CU]A:600 |
x,y,z |
1_555 |
1 |
1 |
125 |
39.3 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.100 |
19 |
21 |
|
[CU]B:701 |
1 |
1 |
125 |
f |
[CU]B:700 |
x,y,z |
1_555 |
1 |
1 |
125 |
37.7 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.100 |
20 |
22 |
|
[CU]B:702 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
15112 |
36.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.091 |
23 |
|
[CU]A:602 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
15080 |
36.6 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.091 |
24 |
|
[CU]C:802 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
15227 |
35.9 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.091 |
Average: |
36.4 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.091 |
21 |
25 |
|
[CU]B:702 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
15080 |
36.5 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.108 |
26 |
|
[CU]C:802 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
15112 |
36.3 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.108 |
27 |
|
[CU]A:602 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
15227 |
36.2 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.108 |
Average: |
36.4 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.108 |
22 |
28 |
|
[CU]C:801 |
1 |
1 |
125 |
f |
[CU]C:800 |
x,y,z |
1_555 |
1 |
1 |
125 |
35.2 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.100 |
23 |
29 |
|
A |
5 |
2 |
15227 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
2 |
15080 |
33.6 |
0.1 |
0.682 |
0 |
0 |
0 |
0.000 |
24 |
30 |
|
[NO2]C:804 |
3 |
1 |
152 |
f |
[CU]C:802 |
x,y,z |
1_555 |
1 |
1 |
125 |
27.4 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.034 |
31 |
|
[NO2]A:604 |
3 |
1 |
152 |
f |
[CU]A:602 |
x,y,z |
1_555 |
1 |
1 |
125 |
26.4 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.034 |
Average: |
26.9 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.034 |
25 |
32 |
|
[NO2]B:704 |
3 |
1 |
152 |
f |
[CU]B:702 |
x,y,z |
1_555 |
1 |
1 |
125 |
27.2 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.029 |
|