## |
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 |
|
A |
54 |
15 |
9782 |
◊ |
A |
-y+1,-x+1,-z+1/3 |
4_665 |
54 |
15 |
9782 |
519.9 |
2.1 |
0.785 |
6 |
4 |
0 |
0.000 |
2 |
2 |
|
A |
52 |
17 |
9782 |
◊ |
A |
x,x-y-2,-z |
6_535 |
52 |
17 |
9782 |
486.4 |
-2.9 |
0.362 |
2 |
0 |
0 |
0.013 |
3 |
3 |
|
A |
28 |
8 |
9782 |
x |
A |
x-1,y,z |
1_455 |
40 |
13 |
9782 |
274.7 |
0.5 |
0.666 |
6 |
3 |
0 |
0.000 |
4 |
4 |
|
A |
26 |
8 |
9782 |
◊ |
A |
x,x-y-1,-z |
6_545 |
25 |
8 |
9782 |
232.7 |
-1.8 |
0.359 |
2 |
0 |
0 |
0.000 |
5 |
5 |
|
[EDO]A:303 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
21 |
11 |
9782 |
117.1 |
4.0 |
0.660 |
3 |
0 |
0 |
0.000 |
6 |
6 |
|
[EDO]A:301 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
9782 |
112.9 |
3.1 |
0.489 |
5 |
0 |
0 |
0.000 |
7 |
7 |
|
[SO4]A:304 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
9 |
9782 |
106.3 |
-14.7 |
0.854 |
6 |
0 |
0 |
0.115 |
8 |
8 |
|
A |
13 |
6 |
9782 |
x |
A |
x,y-1,z |
1_545 |
10 |
2 |
9782 |
103.5 |
-0.8 |
0.406 |
0 |
0 |
0 |
0.000 |
9 |
9 |
|
[EDO]A:302 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
19 |
9 |
9782 |
98.2 |
2.6 |
0.424 |
1 |
0 |
0 |
0.000 |
10 |
10 |
|
[CU]A:308 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
9782 |
57.3 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.050 |
11 |
11 |
|
[CU1]A:305 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
9782 |
55.7 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.066 |
12 |
12 |
|
[CU]A:319 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
9782 |
54.6 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.088 |
13 |
|
[CU]A:316 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
9782 |
48.4 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.088 |
Average: |
51.5 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.088 |
13 |
14 |
|
[CU]A:311 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
9782 |
54.5 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.048 |
14 |
15 |
|
A |
6 |
3 |
9782 |
f |
[CU]A:307 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
53.7 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.047 |
15 |
16 |
|
[CU]A:306 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
9782 |
50.9 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.047 |
16 |
17 |
|
[CU]A:315 |
1 |
1 |
125 |
cf |
A |
x,y,z |
1_555 |
7 |
4 |
9782 |
47.9 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.033 |
17 |
18 |
|
[CL]A:322 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
9782 |
46.5 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.033 |
18 |
19 |
|
[CU]A:309 |
1 |
1 |
125 |
◊ |
A |
x,x-y-2,-z |
6_535 |
7 |
3 |
9782 |
46.0 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.036 |
19 |
20 |
|
[CU]A:310 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
9782 |
45.8 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.029 |
20 |
21 |
|
[CU]A:318 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
9782 |
43.8 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.062 |
22 |
|
[CU]A:309 |
1 |
1 |
125 |
cf |
A |
x,y,z |
1_555 |
5 |
2 |
9782 |
36.5 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.062 |
Average: |
40.2 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.062 |
21 |
23 |
|
[CU]A:307 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
9782 |
43.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.000 |
22 |
24 |
|
[CU]A:306 |
1 |
1 |
125 |
◊ |
A |
-y+1,-x+1,-z+1/3 |
4_665 |
3 |
1 |
9782 |
42.9 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.000 |
23 |
25 |
|
[CU]A:312 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
9782 |
42.7 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.028 |
24 |
26 |
|
[CU]A:317 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
9782 |
41.8 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.028 |
25 |
27 |
|
[CU]A:311 |
1 |
1 |
125 |
cf |
[SO4]A:304 |
x,y,z |
1_555 |
4 |
1 |
185 |
41.1 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.058 |
26 |
28 |
|
[CU]A:314 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
9782 |
40.7 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.026 |
27 |
29 |
|
[CU]A:319 |
1 |
1 |
125 |
f |
[CU]A:316 |
x,y,z |
1_555 |
1 |
1 |
125 |
39.5 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.052 |
28 |
30 |
|
[CU]A:313 |
1 |
1 |
125 |
x |
A |
x,y,z |
1_555 |
4 |
2 |
9782 |
35.9 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.002 |
29 |
31 |
|
[CU]A:320 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
9782 |
35.0 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.023 |
30 |
32 |
|
[CL]A:321 |
1 |
1 |
125 |
f |
[CU]A:318 |
x,y,z |
1_555 |
1 |
1 |
125 |
30.8 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.041 |
31 |
33 |
|
[EDO]A:302 |
2 |
1 |
183 |
◊ |
A |
x,x-y-2,-z |
6_535 |
5 |
2 |
9782 |
30.7 |
0.6 |
0.814 |
1 |
0 |
0 |
0.000 |
32 |
34 |
|
[CU]A:315 |
1 |
1 |
125 |
◊ |
[CU]A:315 |
-y+2,-x+2,-z+1/3 |
4_775 |
1 |
1 |
125 |
30.3 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.000 |
33 |
35 |
|
[CU]A:313 |
1 |
1 |
125 |
fx |
[EDO]A:302 |
x,y,z |
1_555 |
3 |
1 |
183 |
27.3 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.105 |
34 |
36 |
|
[CU]A:318 |
1 |
1 |
125 |
f |
[CU]A:309 |
x,y,z |
1_555 |
1 |
1 |
125 |
25.2 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.033 |
35 |
37 |
|
[CL]A:321 |
1 |
1 |
125 |
◊ |
A |
x,x-y-1,-z |
6_545 |
2 |
1 |
9782 |
21.9 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
36 |
38 |
|
[CL]A:321 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
9782 |
21.1 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.016 |
37 |
39 |
|
[CU1]A:305 |
1 |
1 |
125 |
f |
[EDO]A:301 |
x,y,z |
1_555 |
2 |
1 |
185 |
20.5 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.010 |
38 |
40 |
|
A |
5 |
2 |
9782 |
◊ |
[CU]A:310 |
x,y-1,z |
1_545 |
1 |
1 |
125 |
18.7 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
39 |
41 |
|
[CU]A:318 |
1 |
1 |
125 |
◊ |
A |
x,x-y-2,-z |
6_535 |
3 |
1 |
9782 |
16.6 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.010 |
40 |
42 |
|
[CL]A:322 |
1 |
1 |
125 |
f |
[CU]A:320 |
x,y,z |
1_555 |
1 |
1 |
125 |
15.3 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.020 |
41 |
43 |
|
[CU]A:315 |
1 |
1 |
125 |
◊ |
A |
-y+2,-x+2,-z+1/3 |
4_775 |
1 |
1 |
9782 |
11.8 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
42 |
44 |
|
[EDO]A:302 |
2 |
1 |
183 |
f |
[EDO]A:302 |
x,x-y-2,-z |
6_535 |
2 |
1 |
183 |
8.7 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
43 |
45 |
|
[CU1]A:305 |
1 |
1 |
125 |
◊ |
A |
x,x-y-2,-z |
6_535 |
1 |
1 |
9782 |
6.7 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.004 |
44 |
46 |
|
[CL]A:321 |
1 |
1 |
125 |
f |
[CU]A:309 |
x,y,z |
1_555 |
1 |
1 |
125 |
3.9 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.005 |
|