## |
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 |
93 |
23 |
4515 |
◊ |
A |
x,y,z |
1_555 |
111 |
36 |
10820 |
972.5 |
-10.4 |
0.171 |
15 |
4 |
0 |
0.250 |
2 |
2 |
|
A |
79 |
23 |
10820 |
◊ |
A |
-x,-y,z |
2_555 |
78 |
23 |
10820 |
624.7 |
-3.2 |
0.553 |
6 |
4 |
0 |
0.000 |
3 |
3 |
|
B |
49 |
20 |
4515 |
◊ |
A |
x-1/2,-y-1/2,-z+1 |
4_446 |
49 |
15 |
10820 |
429.5 |
1.0 |
0.762 |
7 |
1 |
0 |
0.000 |
4 |
4 |
|
A |
35 |
14 |
10820 |
◊ |
B |
x,y,z-1 |
1_554 |
35 |
11 |
4515 |
355.9 |
0.3 |
0.544 |
5 |
4 |
0 |
0.000 |
5 |
5 |
|
A |
23 |
11 |
10820 |
◊ |
A |
-x-1,-y,z |
2_455 |
23 |
11 |
10820 |
226.2 |
-1.3 |
0.484 |
4 |
2 |
0 |
0.000 |
6 |
6 |
|
B |
15 |
4 |
4515 |
◊ |
A |
-x-1/2,y-1/2,-z+1 |
3_446 |
10 |
4 |
10820 |
120.9 |
-0.3 |
0.602 |
2 |
0 |
0 |
0.000 |
7 |
7 |
|
A |
14 |
6 |
10820 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
11 |
4 |
10820 |
117.0 |
-0.8 |
0.422 |
0 |
0 |
0 |
0.000 |
8 |
8 |
|
[NO3]A:406 |
4 |
1 |
158 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
10820 |
90.6 |
1.5 |
0.762 |
4 |
0 |
0 |
0.004 |
9 |
9 |
|
[NO3]A:405 |
4 |
1 |
158 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
10820 |
81.4 |
1.1 |
0.690 |
4 |
0 |
0 |
0.010 |
10 |
10 |
|
[NO3]A:408 |
4 |
1 |
159 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
10820 |
80.1 |
1.0 |
0.572 |
3 |
0 |
0 |
0.004 |
11 |
11 |
|
[NO3]B:407 |
4 |
1 |
158 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
4515 |
77.7 |
1.8 |
0.680 |
6 |
0 |
0 |
0.016 |
12 |
12 |
|
[CU]A:403 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
10820 |
57.3 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.118 |
13 |
13 |
|
[NO3]B:407 |
4 |
1 |
158 |
◊ |
A |
x-1/2,-y-1/2,-z+1 |
4_446 |
10 |
5 |
10820 |
54.8 |
0.2 |
0.362 |
0 |
0 |
0 |
0.000 |
14 |
14 |
|
B |
8 |
4 |
4515 |
◊ |
[NO3]A:408 |
-x-1/2,y-1/2,-z+1 |
3_446 |
4 |
1 |
159 |
45.7 |
0.3 |
0.723 |
1 |
0 |
0 |
0.000 |
15 |
15 |
|
[CU]B:402 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
4515 |
43.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.084 |
16 |
16 |
|
A |
6 |
2 |
10820 |
◊ |
B |
x-1/2,-y-1/2,-z+1 |
4_446 |
5 |
2 |
4515 |
42.9 |
-0.8 |
0.338 |
0 |
0 |
0 |
0.000 |
17 |
17 |
|
[CU]A:400 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
10820 |
38.9 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.149 |
18 |
18 |
|
[CU]A:401 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
10820 |
38.6 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.146 |
19 |
19 |
|
[PER]A:404 |
2 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
10820 |
38.0 |
-2.8 |
0.004 |
3 |
0 |
0 |
0.058 |
20 |
20 |
|
[NO3]A:405 |
3 |
1 |
158 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
4515 |
28.7 |
0.3 |
0.768 |
0 |
0 |
0 |
0.000 |
21 |
21 |
|
[PER]A:404 |
2 |
1 |
125 |
cf |
[CU]A:400 |
x,y,z |
1_555 |
1 |
1 |
125 |
24.2 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.034 |
22 |
22 |
|
[PER]A:404 |
2 |
1 |
125 |
f |
[CU]A:401 |
x,y,z |
1_555 |
1 |
1 |
125 |
23.1 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.032 |
23 |
23 |
|
[CU]B:402 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
10820 |
22.6 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.032 |
24 |
24 |
|
[PER]A:404 |
2 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
4515 |
20.2 |
0.1 |
0.734 |
1 |
0 |
0 |
0.004 |
25 |
25 |
|
[CU]A:401 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
4515 |
17.2 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.041 |
26 |
|
[CU]A:400 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
4515 |
12.6 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.041 |
Average: |
14.9 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.041 |
26 |
27 |
|
[CU]A:401 |
1 |
1 |
125 |
f |
[CU]A:400 |
x,y,z |
1_555 |
1 |
1 |
125 |
15.9 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.045 |
27 |
28 |
|
[CU]A:403 |
1 |
1 |
125 |
◊ |
B |
x-1/2,-y-1/2,-z+1 |
4_446 |
1 |
1 |
4515 |
4.2 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
|