| ## |
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 |
155 |
45 |
12288 |
x |
A |
-y,x-y,z |
2_555 |
140 |
33 |
12288 |
1364.1 |
-11.9 |
0.289 |
22 |
3 |
0 |
0.119 |
| 2 |
2 |
|
A |
19 |
7 |
12288 |
x |
A |
-x+y+2/3,-x+1/3,z+1/3 |
6_555 |
18 |
8 |
12288 |
169.4 |
-0.3 |
0.646 |
2 |
4 |
0 |
0.000 |
| 3 |
3 |
|
[PEG]A:424 |
7 |
1 |
267 |
cf |
A |
x,y,z |
1_555 |
18 |
6 |
12288 |
134.3 |
3.1 |
0.358 |
2 |
0 |
0 |
0.000 |
| 4 |
4 |
|
[MPD]A:421 |
7 |
1 |
282 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
12288 |
128.7 |
-7.5 |
0.849 |
3 |
0 |
0 |
0.048 |
| 5 |
5 |
|
[MPD]A:423 |
6 |
1 |
270 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
12288 |
127.3 |
-7.6 |
0.830 |
0 |
0 |
0 |
0.041 |
| 6 |
6 |
|
[MPD]A:422 |
7 |
1 |
274 |
f |
A |
-y,x-y,z |
2_555 |
9 |
2 |
12288 |
86.4 |
-4.2 |
0.827 |
1 |
0 |
0 |
0.025 |
| 7 |
7 |
|
[EDO]A:425 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
12288 |
80.5 |
2.1 |
0.232 |
0 |
0 |
0 |
0.000 |
| 8 |
8 |
|
[TRS]A:429 |
5 |
1 |
260 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
12288 |
78.2 |
1.8 |
0.867 |
1 |
0 |
0 |
0.000 |
| 9 |
9 |
|
[CU]A:413 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
12288 |
67.2 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.084 |
10 |
|
[CU]A:418 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
12288 |
61.5 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.084 |
| Average: |
64.4 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.084 |
| 10 |
11 |
|
A |
6 |
3 |
12288 |
f |
[TRS]A:429 |
-y,x-y,z |
2_555 |
5 |
1 |
260 |
65.8 |
0.9 |
0.597 |
1 |
0 |
0 |
0.000 |
| 11 |
12 |
|
[SO4]A:426 |
5 |
1 |
188 |
fx |
[SO4]A:426 |
-y,x-y,z |
2_555 |
5 |
1 |
188 |
61.3 |
-13.3 |
0.993 |
0 |
0 |
0 |
0.100 |
| 12 |
13 |
|
[CU]A:405 |
1 |
1 |
125 |
cf |
A |
x,y,z |
1_555 |
9 |
4 |
12288 |
57.8 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.043 |
| 13 |
14 |
|
[CU]A:404 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
12288 |
57.4 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.044 |
| 14 |
15 |
|
[CU]A:416 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
12288 |
57.0 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.033 |
| 15 |
16 |
|
[CU]A:411 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
12288 |
54.5 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.037 |
| 16 |
17 |
|
[CU]A:414 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
12288 |
53.2 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.034 |
| 17 |
18 |
|
[CU]A:403 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
12288 |
52.2 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.039 |
| 18 |
19 |
|
[CU]A:415 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
12288 |
50.7 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.027 |
| 19 |
20 |
|
[CU]A:409 |
1 |
1 |
125 |
cf |
A |
x,y,z |
1_555 |
7 |
3 |
12288 |
49.1 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.031 |
| 20 |
21 |
|
[CU]A:412 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
12288 |
46.8 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.034 |
| 21 |
22 |
|
[CL]A:419 |
1 |
1 |
125 |
f |
A |
-y,x-y,z |
2_555 |
10 |
5 |
12288 |
46.4 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.036 |
| 22 |
23 |
|
[CU]A:407 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
12288 |
46.3 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.060 |
24 |
|
[CU]A:408 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
12288 |
45.0 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.060 |
| Average: |
45.6 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.060 |
| 23 |
25 |
|
[CU]A:410 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
12288 |
45.3 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.028 |
| 24 |
26 |
|
[CU]A:417 |
1 |
1 |
125 |
◊ |
A |
-x+y+2/3,-x+1/3,z+1/3 |
6_555 |
5 |
2 |
12288 |
43.2 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.000 |
27 |
|
[CU]A:406 |
1 |
1 |
125 |
◊ |
A |
-x+y+2/3,-x+1/3,z+1/3 |
6_555 |
3 |
3 |
12288 |
26.6 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
34.9 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 25 |
28 |
|
[SO4]A:426 |
4 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
12288 |
41.8 |
-5.4 |
0.698 |
0 |
0 |
0 |
0.025 |
| 26 |
29 |
|
[CU]A:417 |
1 |
1 |
125 |
f |
[CU]A:406 |
x,y,z |
1_555 |
1 |
1 |
125 |
41.3 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.044 |
| 27 |
30 |
|
[CU]A:403 |
1 |
1 |
125 |
◊ |
A |
-x+y+2/3,-x+1/3,z+1/3 |
6_555 |
7 |
3 |
12288 |
40.9 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 28 |
31 |
|
[SO4]A:426 |
4 |
1 |
188 |
◊ |
A |
-y,x-y,z |
2_555 |
8 |
5 |
12288 |
40.4 |
-5.2 |
0.675 |
1 |
0 |
0 |
0.026 |
| 29 |
32 |
|
[CU]A:408 |
1 |
1 |
125 |
f |
[CU]A:407 |
x,y,z |
1_555 |
1 |
1 |
125 |
40.1 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.043 |
| 30 |
33 |
|
[CU]A:402 |
1 |
1 |
125 |
◊ |
A |
-y,x-y,z |
2_555 |
10 |
4 |
12288 |
39.1 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.026 |
| 31 |
34 |
|
[CU]A:406 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
12288 |
38.2 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.039 |
35 |
|
[CU]A:417 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
12288 |
25.7 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.039 |
| Average: |
31.9 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.039 |
| 32 |
36 |
|
[MPD]A:421 |
5 |
1 |
282 |
f |
[CU]A:405 |
x,y,z |
1_555 |
1 |
1 |
125 |
38.0 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.031 |
| 33 |
37 |
|
[CL]A:420 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
12288 |
37.8 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.020 |
| 34 |
38 |
|
A |
9 |
5 |
12288 |
◊ |
[SO4]A:426 |
-y,x-y,z |
2_555 |
4 |
1 |
188 |
37.2 |
-4.5 |
0.690 |
0 |
0 |
0 |
0.021 |
| 35 |
39 |
|
[CU]A:402 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
12288 |
36.9 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.031 |
| 36 |
40 |
|
A |
4 |
2 |
12288 |
◊ |
[CU]A:412 |
-y,x-y,z |
2_555 |
1 |
1 |
125 |
36.7 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.019 |
| 37 |
41 |
|
A |
5 |
2 |
12288 |
◊ |
[MPD]A:423 |
-x+y+2/3,-x+1/3,z+1/3 |
6_555 |
4 |
1 |
270 |
36.5 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 38 |
42 |
|
[PEG]A:424 |
3 |
1 |
267 |
◊ |
[MPD]A:423 |
-x+y+2/3,-x+1/3,z+1/3 |
6_555 |
3 |
1 |
270 |
33.3 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 39 |
43 |
|
[CL]A:419 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
8 |
5 |
12288 |
30.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.019 |
| 40 |
44 |
|
[MPD]A:422 |
2 |
1 |
274 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
12288 |
26.3 |
-1.8 |
0.576 |
0 |
0 |
0 |
0.010 |
| 41 |
45 |
|
[CL]A:419 |
1 |
1 |
125 |
◊ |
[CU]A:402 |
x,y,z |
1_555 |
1 |
1 |
125 |
24.5 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.026 |
| 42 |
46 |
|
[PEG]A:424 |
4 |
1 |
267 |
◊ |
A |
-x+y+2/3,-x+1/3,z+1/3 |
6_555 |
4 |
3 |
12288 |
21.7 |
0.8 |
0.292 |
0 |
0 |
0 |
0.000 |
| 43 |
47 |
|
[CU]A:418 |
1 |
1 |
125 |
fx |
[CU]A:413 |
x,y,z |
1_555 |
1 |
1 |
125 |
21.5 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.100 |
| 44 |
48 |
|
[CU]A:418 |
1 |
1 |
125 |
◊ |
A |
-y,x-y,z |
2_555 |
1 |
1 |
12288 |
17.8 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.007 |
| 45 |
49 |
|
A |
1 |
1 |
12288 |
◊ |
[CU]A:408 |
-y,x-y,z |
2_555 |
1 |
1 |
125 |
17.7 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.009 |
50 |
|
A |
1 |
1 |
12288 |
◊ |
[CU]A:407 |
-y,x-y,z |
2_555 |
1 |
1 |
125 |
8.2 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.009 |
| Average: |
12.9 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.009 |
| 46 |
51 |
|
[CL]A:420 |
1 |
1 |
125 |
f |
[CU]A:416 |
x,y,z |
1_555 |
1 |
1 |
125 |
14.6 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.016 |
| 47 |
52 |
|
[TRS]A:429 |
1 |
1 |
260 |
f |
[EDO]A:425 |
x,y,z |
1_555 |
2 |
1 |
184 |
13.3 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
| 48 |
53 |
|
[CU]A:412 |
1 |
1 |
125 |
f |
[CU]A:407 |
x,y,z |
1_555 |
1 |
1 |
125 |
13.3 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.014 |
| 49 |
54 |
|
[CU]A:412 |
1 |
1 |
125 |
f |
[CU]A:408 |
x,y,z |
1_555 |
1 |
1 |
125 |
7.2 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.008 |
| 50 |
55 |
|
A |
1 |
1 |
12288 |
◊ |
[CU]A:413 |
-y,x-y,z |
2_555 |
1 |
1 |
125 |
1.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 51 |
56 |
|
A |
1 |
1 |
12288 |
◊ |
[CU]A:415 |
-y,x-y,z |
2_555 |
1 |
1 |
125 |
1.0 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|